data_15587_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15587
_Entry.PDB_ID 2K9X
_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 7 . 1 1 1 A 2 2 SER H H 2 8.206 7.792 0.414 1
1 8 . 1 1 1 A 2 2 SER N N 2 126.498 113.784 12.714 1
1 9 . 1 1 1 A 3 3 ASN HA H 3 5.166 4.988 0.178 1
1 12 . 1 1 1 A 3 3 ASN C C 3 175.527 173.954 1.573 1
1 13 . 1 1 1 A 3 3 ASN CA C 3 51.466 52.249 -0.783 1
1 14 . 1 1 1 A 3 3 ASN CB C 3 39.931 36.785 3.146 1
1 15 . 1 1 1 A 4 4 HIS H H 4 8.859 8.465 0.394 1
1 16 . 1 1 1 A 4 4 HIS HA H 4 4.165 4.914 -0.749 1
1 19 . 1 1 1 A 4 4 HIS C C 4 175.897 175.083 0.814 1
1 20 . 1 1 1 A 4 4 HIS CA C 4 56.644 54.277 2.367 1
1 21 . 1 1 1 A 4 4 HIS CB C 4 30.122 29.228 0.894 1
1 22 . 1 1 1 A 4 4 HIS N N 4 120.656 123.083 -2.427 1
1 23 . 1 1 1 A 5 5 ASN H H 5 8.263 9.650 -1.387 1
1 24 . 1 1 1 A 5 5 ASN HA H 5 4.274 4.240 0.034 1
1 27 . 1 1 1 A 5 5 ASN C C 5 177.939 174.833 3.106 1
1 28 . 1 1 1 A 5 5 ASN CA C 5 57.261 55.316 1.945 1
1 29 . 1 1 1 A 5 5 ASN CB C 5 38.232 37.040 1.192 1
1 30 . 1 1 1 A 5 5 ASN N N 5 121.699 120.296 1.403 1
1 31 . 1 1 1 A 6 6 HIS H H 6 9.675 7.973 1.702 1
1 32 . 1 1 1 A 6 6 HIS HA H 6 5.261 4.654 0.607 1
1 35 . 1 1 1 A 6 6 HIS C C 6 171.876 173.690 -1.814 1
1 36 . 1 1 1 A 6 6 HIS CA C 6 56.016 56.895 -0.879 1
1 37 . 1 1 1 A 6 6 HIS CB C 6 31.324 28.601 2.723 1
1 38 . 1 1 1 A 6 6 HIS N N 6 117.245 114.535 2.710 1
1 39 . 1 1 1 A 7 7 ILE H H 7 7.753 8.421 -0.668 1
1 40 . 1 1 1 A 7 7 ILE HA H 7 4.442 4.697 -0.255 1
1 50 . 1 1 1 A 7 7 ILE C C 7 174.518 175.118 -0.600 1
1 51 . 1 1 1 A 7 7 ILE CA C 7 57.922 60.023 -2.101 1
1 52 . 1 1 1 A 7 7 ILE CB C 7 39.790 39.931 -0.141 1
1 56 . 1 1 1 A 7 7 ILE N N 7 126.114 124.138 1.976 1
1 57 . 1 1 1 A 8 8 THR H H 8 8.238 9.088 -0.850 1
1 58 . 1 1 1 A 8 8 THR HA H 8 4.733 4.691 0.042 1
1 63 . 1 1 1 A 8 8 THR C C 8 172.672 172.406 0.266 1
1 64 . 1 1 1 A 8 8 THR CA C 8 62.203 61.486 0.717 1
1 65 . 1 1 1 A 8 8 THR CB C 8 70.202 68.966 1.236 1
1 67 . 1 1 1 A 8 8 THR N N 8 123.879 123.662 0.217 1
1 68 . 1 1 1 A 9 9 VAL H H 9 8.717 9.035 -0.318 1
1 69 . 1 1 1 A 9 9 VAL HA H 9 5.165 4.813 0.352 1
1 77 . 1 1 1 A 9 9 VAL C C 9 173.545 174.474 -0.929 1
1 78 . 1 1 1 A 9 9 VAL CA C 9 59.279 60.149 -0.870 1
1 79 . 1 1 1 A 9 9 VAL CB C 9 33.495 33.399 0.096 1
1 82 . 1 1 1 A 9 9 VAL N N 9 124.808 127.076 -2.268 1
1 83 . 1 1 1 A 10 10 GLN H H 10 8.863 8.183 0.680 1
1 84 . 1 1 1 A 10 10 GLN HA H 10 4.841 4.965 -0.124 1
1 87 . 1 1 1 A 10 10 GLN C C 10 173.774 173.509 0.265 1
1 88 . 1 1 1 A 10 10 GLN CA C 10 53.092 53.245 -0.153 1
1 89 . 1 1 1 A 10 10 GLN CB C 10 32.226 32.462 -0.236 1
1 91 . 1 1 1 A 10 10 GLN N N 10 123.709 125.343 -1.634 1
1 92 . 1 1 1 A 11 11 PHE H H 11 8.252 8.509 -0.257 1
1 93 . 1 1 1 A 11 11 PHE HA H 11 5.661 5.370 0.291 1
1 96 . 1 1 1 A 11 11 PHE C C 11 175.180 174.569 0.611 1
1 97 . 1 1 1 A 11 11 PHE CA C 11 55.799 56.437 -0.638 1
1 98 . 1 1 1 A 11 11 PHE CB C 11 43.197 43.904 -0.707 1
1 99 . 1 1 1 A 11 11 PHE N N 11 119.002 115.922 3.080 1
1 100 . 1 1 1 A 12 12 ALA H H 12 8.989 8.125 0.864 1
1 101 . 1 1 1 A 12 12 ALA HA H 12 4.971 4.890 0.081 1
1 105 . 1 1 1 A 12 12 ALA C C 12 179.413 177.702 1.711 1
1 106 . 1 1 1 A 12 12 ALA CA C 12 51.675 51.776 -0.101 1
1 107 . 1 1 1 A 12 12 ALA CB C 12 23.716 22.500 1.216 1
1 108 . 1 1 1 A 12 12 ALA N N 12 123.388 122.183 1.205 1
1 109 . 1 1 1 A 13 13 GLY H H 13 9.188 8.934 0.254 1
1 110 . 1 1 1 A 13 13 GLY HA2 H 13 4.477 3.882 0.595 1
1 111 . 1 1 1 A 13 13 GLY HA3 H 13 3.937 3.895 0.042 1
1 112 . 1 1 1 A 13 13 GLY C C 13 173.600 175.078 -1.478 1
1 113 . 1 1 1 A 13 13 GLY CA C 13 46.252 47.191 -0.939 1
1 114 . 1 1 1 A 13 13 GLY N N 13 110.134 110.966 -0.832 1
1 115 . 1 1 1 A 14 14 GLY H H 14 9.510 8.758 0.752 1
1 116 . 1 1 1 A 14 14 GLY HA2 H 14 4.600 4.112 0.488 1
1 117 . 1 1 1 A 14 14 GLY HA3 H 14 3.453 4.123 -0.670 1
1 118 . 1 1 1 A 14 14 GLY C C 14 177.136 174.828 2.308 1
1 119 . 1 1 1 A 14 14 GLY CA C 14 44.792 45.368 -0.576 1
1 120 . 1 1 1 A 14 14 GLY N N 14 109.966 113.556 -3.590 1
1 121 . 1 1 1 A 15 15 CYS H H 15 7.748 7.922 -0.174 1
1 122 . 1 1 1 A 15 15 CYS HA H 15 3.883 4.450 -0.567 1
1 125 . 1 1 1 A 15 15 CYS C C 15 175.011 175.272 -0.261 1
1 126 . 1 1 1 A 15 15 CYS CA C 15 62.034 58.985 3.049 1
1 127 . 1 1 1 A 15 15 CYS N N 15 121.082 117.571 3.511 1
1 128 . 1 1 1 A 16 16 GLU H H 16 7.837 8.098 -0.261 1
1 129 . 1 1 1 A 16 16 GLU HA H 16 4.009 3.960 0.049 1
1 134 . 1 1 1 A 16 16 GLU C C 16 178.419 178.543 -0.124 1
1 135 . 1 1 1 A 16 16 GLU CA C 16 58.599 59.206 -0.607 1
1 136 . 1 1 1 A 16 16 GLU CB C 16 27.745 29.335 -1.590 1
1 138 . 1 1 1 A 16 16 GLU N N 16 120.416 120.455 -0.039 1
1 139 . 1 1 1 A 17 17 LEU H H 17 7.626 7.780 -0.154 1
1 140 . 1 1 1 A 17 17 LEU HA H 17 3.927 4.179 -0.252 1
1 150 . 1 1 1 A 17 17 LEU C C 17 178.349 177.353 0.996 1
1 151 . 1 1 1 A 17 17 LEU CA C 17 57.105 56.291 0.814 1
1 152 . 1 1 1 A 17 17 LEU CB C 17 40.474 41.574 -1.100 1
1 156 . 1 1 1 A 17 17 LEU N N 17 122.648 120.148 2.500 1
1 157 . 1 1 1 A 18 18 LEU H H 18 7.488 7.489 -0.001 1
1 158 . 1 1 1 A 18 18 LEU HA H 18 4.143 4.255 -0.112 1
1 168 . 1 1 1 A 18 18 LEU C C 18 175.859 176.686 -0.827 1
1 169 . 1 1 1 A 18 18 LEU CA C 18 55.729 54.807 0.922 1
1 170 . 1 1 1 A 18 18 LEU CB C 18 40.532 41.449 -0.917 1
1 174 . 1 1 1 A 18 18 LEU N N 18 117.565 117.821 -0.256 1
1 175 . 1 1 1 A 19 19 PHE H H 19 7.164 7.718 -0.554 1
1 176 . 1 1 1 A 19 19 PHE HA H 19 4.395 4.995 -0.600 1
1 179 . 1 1 1 A 19 19 PHE C C 19 176.362 175.657 0.705 1
1 180 . 1 1 1 A 19 19 PHE CA C 19 56.373 59.105 -2.732 1
1 181 . 1 1 1 A 19 19 PHE CB C 19 39.143 41.353 -2.210 1
1 182 . 1 1 1 A 19 19 PHE N N 19 117.899 120.396 -2.497 1
1 183 . 1 1 1 A 20 20 ALA H H 20 8.780 7.697 1.083 1
1 184 . 1 1 1 A 20 20 ALA HA H 20 4.087 4.544 -0.457 1
1 188 . 1 1 1 A 20 20 ALA C C 20 176.512 177.550 -1.038 1
1 189 . 1 1 1 A 20 20 ALA CA C 20 53.279 51.521 1.758 1
1 190 . 1 1 1 A 20 20 ALA CB C 20 17.047 19.403 -2.356 1
1 191 . 1 1 1 A 20 20 ALA N N 20 123.417 119.836 3.581 1
1 192 . 1 1 1 A 21 21 LYS H H 21 7.825 8.134 -0.309 1
1 193 . 1 1 1 A 21 21 LYS HA H 21 3.181 3.863 -0.682 1
1 202 . 1 1 1 A 21 21 LYS C C 21 175.295 175.304 -0.009 1
1 203 . 1 1 1 A 21 21 LYS CA C 21 58.666 57.434 1.232 1
1 204 . 1 1 1 A 21 21 LYS CB C 21 29.784 29.580 0.204 1
1 208 . 1 1 1 A 21 21 LYS N N 21 108.448 112.405 -3.957 1
1 209 . 1 1 1 A 22 22 GLN H H 22 7.611 8.309 -0.698 1
1 210 . 1 1 1 A 22 22 GLN HA H 22 4.429 4.619 -0.190 1
1 215 . 1 1 1 A 22 22 GLN C C 22 174.967 176.673 -1.706 1
1 216 . 1 1 1 A 22 22 GLN CA C 22 56.105 55.315 0.790 1
1 217 . 1 1 1 A 22 22 GLN CB C 22 29.548 30.242 -0.694 1
1 219 . 1 1 1 A 22 22 GLN N N 22 120.482 118.830 1.652 1
1 220 . 1 1 1 A 23 23 THR H H 23 8.201 8.754 -0.553 1
1 221 . 1 1 1 A 23 23 THR HA H 23 4.491 4.348 0.143 1
1 226 . 1 1 1 A 23 23 THR C C 23 175.012 174.819 0.193 1
1 227 . 1 1 1 A 23 23 THR CA C 23 62.436 63.468 -1.032 1
1 228 . 1 1 1 A 23 23 THR CB C 23 69.501 69.203 0.298 1
1 229 . 1 1 1 A 23 23 THR N N 23 110.354 115.796 -5.442 1
1 230 . 1 1 1 A 24 24 SER H H 24 7.751 7.760 -0.009 1
1 231 . 1 1 1 A 24 24 SER HA H 24 5.136 4.680 0.456 1
1 234 . 1 1 1 A 24 24 SER C C 24 172.623 172.026 0.597 1
1 235 . 1 1 1 A 24 24 SER CA C 24 57.192 57.642 -0.450 1
1 236 . 1 1 1 A 24 24 SER CB C 24 65.459 65.088 0.371 1
1 237 . 1 1 1 A 24 24 SER N N 24 114.575 113.014 1.561 1
1 238 . 1 1 1 A 25 25 LEU H H 25 9.272 8.665 0.607 1
1 239 . 1 1 1 A 25 25 LEU HA H 25 4.531 4.995 -0.464 1
1 249 . 1 1 1 A 25 25 LEU C C 25 174.436 175.393 -0.957 1
1 250 . 1 1 1 A 25 25 LEU CA C 25 53.929 53.735 0.194 1
1 251 . 1 1 1 A 25 25 LEU CB C 25 45.561 46.429 -0.868 1
1 255 . 1 1 1 A 25 25 LEU N N 25 124.288 121.724 2.564 1
1 256 . 1 1 1 A 26 26 GLN H H 26 8.573 8.779 -0.206 1
1 257 . 1 1 1 A 26 26 GLN HA H 26 4.607 5.806 -1.199 1
1 262 . 1 1 1 A 26 26 GLN C C 26 173.250 174.666 -1.416 1
1 263 . 1 1 1 A 26 26 GLN CA C 26 54.207 54.343 -0.136 1
1 264 . 1 1 1 A 26 26 GLN CB C 26 27.813 32.083 -4.270 1
1 266 . 1 1 1 A 26 26 GLN N N 26 122.971 120.679 2.292 1
1 267 . 1 1 1 A 27 27 LEU H H 27 8.753 9.073 -0.320 1
1 268 . 1 1 1 A 27 27 LEU HA H 27 4.414 4.999 -0.585 1
1 272 . 1 1 1 A 27 27 LEU C C 27 175.313 175.326 -0.013 1
1 273 . 1 1 1 A 27 27 LEU CA C 27 53.132 53.333 -0.201 1
1 274 . 1 1 1 A 27 27 LEU CB C 27 40.489 44.368 -3.879 1
1 278 . 1 1 1 A 27 27 LEU N N 27 126.504 125.687 0.817 1
1 279 . 1 1 1 A 28 28 ASP H H 28 8.568 8.761 -0.193 1
1 280 . 1 1 1 A 28 28 ASP HA H 28 4.414 5.140 -0.726 1
1 283 . 1 1 1 A 28 28 ASP C C 28 176.147 175.475 0.672 1
1 284 . 1 1 1 A 28 28 ASP CA C 28 53.407 52.660 0.747 1
1 285 . 1 1 1 A 28 28 ASP CB C 28 40.535 41.865 -1.330 1
1 286 . 1 1 1 A 28 28 ASP N N 28 112.805 123.056 -10.251 1
1 287 . 1 1 1 A 29 29 GLY H H 29 7.770 8.540 -0.770 1
1 288 . 1 1 1 A 29 29 GLY HA2 H 29 3.942 4.180 -0.238 1
1 289 . 1 1 1 A 29 29 GLY HA3 H 29 3.806 4.181 -0.375 1
1 290 . 1 1 1 A 29 29 GLY C C 29 174.455 173.541 0.914 1
1 291 . 1 1 1 A 29 29 GLY CA C 29 47.297 44.367 2.930 1
1 292 . 1 1 1 A 29 29 GLY N N 29 129.863 112.017 17.846 1
1 293 . 1 1 1 A 30 30 VAL H H 30 7.792 8.290 -0.498 1
1 294 . 1 1 1 A 30 30 VAL HA H 30 4.391 4.409 -0.018 1
1 302 . 1 1 1 A 30 30 VAL C C 30 174.315 175.921 -1.606 1
1 303 . 1 1 1 A 30 30 VAL CA C 30 62.180 61.725 0.455 1
1 304 . 1 1 1 A 30 30 VAL CB C 30 35.931 33.700 2.231 1
1 307 . 1 1 1 A 30 30 VAL N N 30 112.711 117.223 -4.512 1
1 308 . 1 1 1 A 31 31 VAL H H 31 8.748 7.885 0.863 1
1 309 . 1 1 1 A 31 31 VAL C C 31 172.882 175.372 -2.490 1
1 310 . 1 1 1 A 31 31 VAL CA C 31 62.284 59.268 3.016 1
1 311 . 1 1 1 A 31 31 VAL CB C 31 33.804 31.616 2.188 1
1 312 . 1 1 1 A 31 31 VAL N N 31 123.316 119.254 4.062 1
1 313 . 1 1 1 A 32 32 PRO HA H 32 5.038 4.556 0.482 1
1 320 . 1 1 1 A 32 32 PRO C C 32 179.633 177.076 2.557 1
1 321 . 1 1 1 A 32 32 PRO CA C 32 63.073 63.848 -0.775 1
1 322 . 1 1 1 A 32 32 PRO CB C 32 32.421 32.852 -0.431 1
1 325 . 1 1 1 A 33 33 THR H H 33 8.739 7.963 0.776 1
1 326 . 1 1 1 A 33 33 THR HA H 33 3.896 4.200 -0.304 1
1 331 . 1 1 1 A 33 33 THR C C 33 174.735 175.959 -1.224 1
1 332 . 1 1 1 A 33 33 THR CA C 33 64.329 65.887 -1.558 1
1 333 . 1 1 1 A 33 33 THR CB C 33 67.929 67.917 0.012 1
1 335 . 1 1 1 A 33 33 THR N N 33 120.858 115.043 5.815 1
1 336 . 1 1 1 A 34 34 GLY H H 34 8.303 8.048 0.255 1
1 337 . 1 1 1 A 34 34 GLY HA2 H 34 4.359 3.922 0.437 1
1 338 . 1 1 1 A 34 34 GLY HA3 H 34 3.451 3.925 -0.474 1
1 339 . 1 1 1 A 34 34 GLY C C 34 174.037 173.470 0.567 1
1 340 . 1 1 1 A 34 34 GLY CA C 34 45.067 45.312 -0.245 1
1 341 . 1 1 1 A 34 34 GLY N N 34 114.645 108.686 5.959 1
1 342 . 1 1 1 A 35 35 THR H H 35 7.405 7.396 0.009 1
1 343 . 1 1 1 A 35 35 THR HA H 35 4.073 5.024 -0.951 1
1 348 . 1 1 1 A 35 35 THR C C 35 174.540 173.293 1.247 1
1 349 . 1 1 1 A 35 35 THR CA C 35 65.137 61.066 4.071 1
1 350 . 1 1 1 A 35 35 THR CB C 35 69.484 71.677 -2.193 1
1 352 . 1 1 1 A 35 35 THR N N 35 117.340 114.662 2.678 1
1 353 . 1 1 1 A 36 36 ASN H H 36 8.836 8.466 0.370 1
1 354 . 1 1 1 A 36 36 ASN HA H 36 5.686 5.132 0.554 1
1 357 . 1 1 1 A 36 36 ASN C C 36 176.512 175.870 0.642 1
1 358 . 1 1 1 A 36 36 ASN CA C 36 50.439 51.113 -0.674 1
1 359 . 1 1 1 A 36 36 ASN CB C 36 40.274 40.300 -0.026 1
1 360 . 1 1 1 A 36 36 ASN N N 36 127.379 122.536 4.843 1
1 361 . 1 1 1 A 37 37 LEU H H 37 8.045 8.695 -0.650 1
1 362 . 1 1 1 A 37 37 LEU HA H 37 4.142 4.077 0.065 1
1 372 . 1 1 1 A 37 37 LEU C C 37 178.931 178.330 0.601 1
1 373 . 1 1 1 A 37 37 LEU CA C 37 59.274 58.702 0.572 1
1 374 . 1 1 1 A 37 37 LEU CB C 37 42.159 41.413 0.746 1
1 378 . 1 1 1 A 37 37 LEU N N 37 119.164 120.236 -1.072 1
1 379 . 1 1 1 A 38 38 ASN H H 38 7.959 8.786 -0.827 1
1 380 . 1 1 1 A 38 38 ASN HA H 38 4.502 4.483 0.019 1
1 383 . 1 1 1 A 38 38 ASN C C 38 178.691 177.924 0.767 1
1 384 . 1 1 1 A 38 38 ASN CA C 38 57.080 55.895 1.185 1
1 385 . 1 1 1 A 38 38 ASN CB C 38 38.367 37.694 0.673 1
1 386 . 1 1 1 A 38 38 ASN N N 38 118.522 116.103 2.419 1
1 387 . 1 1 1 A 39 39 GLY H H 39 8.828 7.821 1.007 1
1 388 . 1 1 1 A 39 39 GLY HA2 H 39 4.088 3.709 0.379 1
1 389 . 1 1 1 A 39 39 GLY HA3 H 39 3.911 3.711 0.200 1
1 390 . 1 1 1 A 39 39 GLY C C 39 177.320 175.613 1.707 1
1 391 . 1 1 1 A 39 39 GLY CA C 39 46.879 47.082 -0.203 1
1 392 . 1 1 1 A 39 39 GLY N N 39 109.615 107.813 1.802 1
1 393 . 1 1 1 A 40 40 LEU H H 40 8.829 8.112 0.717 1
1 394 . 1 1 1 A 40 40 LEU HA H 40 4.504 4.170 0.334 1
1 404 . 1 1 1 A 40 40 LEU C C 40 177.788 178.597 -0.809 1
1 405 . 1 1 1 A 40 40 LEU CA C 40 57.770 57.455 0.315 1
1 406 . 1 1 1 A 40 40 LEU CB C 40 41.713 41.717 -0.004 1
1 410 . 1 1 1 A 40 40 LEU N N 40 125.884 123.473 2.411 1
1 411 . 1 1 1 A 41 41 VAL H H 41 8.333 8.234 0.099 1
1 412 . 1 1 1 A 41 41 VAL HA H 41 3.328 3.855 -0.527 1
1 420 . 1 1 1 A 41 41 VAL C C 41 177.556 178.190 -0.634 1
1 421 . 1 1 1 A 41 41 VAL CA C 41 67.977 65.255 2.722 1
1 422 . 1 1 1 A 41 41 VAL CB C 41 31.080 31.239 -0.159 1
1 425 . 1 1 1 A 41 41 VAL N N 41 120.213 116.626 3.587 1
1 426 . 1 1 1 A 42 42 GLN H H 42 7.672 8.160 -0.488 1
1 427 . 1 1 1 A 42 42 GLN HA H 42 3.866 4.353 -0.487 1
1 432 . 1 1 1 A 42 42 GLN C C 42 177.980 178.681 -0.701 1
1 433 . 1 1 1 A 42 42 GLN CA C 42 58.694 58.892 -0.198 1
1 434 . 1 1 1 A 42 42 GLN CB C 42 27.809 28.334 -0.525 1
1 436 . 1 1 1 A 42 42 GLN N N 42 116.386 121.562 -5.176 1
1 437 . 1 1 1 A 43 43 LEU H H 43 8.080 7.493 0.587 1
1 438 . 1 1 1 A 43 43 LEU HA H 43 4.225 4.184 0.041 1
1 448 . 1 1 1 A 43 43 LEU C C 43 179.999 178.398 1.601 1
1 449 . 1 1 1 A 43 43 LEU CA C 43 58.275 57.290 0.985 1
1 450 . 1 1 1 A 43 43 LEU CB C 43 43.046 41.189 1.857 1
1 454 . 1 1 1 A 43 43 LEU N N 43 122.204 121.146 1.058 1
1 455 . 1 1 1 A 44 44 LEU H H 44 8.810 8.086 0.724 1
1 456 . 1 1 1 A 44 44 LEU HA H 44 4.384 4.377 0.007 1
1 466 . 1 1 1 A 44 44 LEU C C 44 179.311 178.879 0.432 1
1 467 . 1 1 1 A 44 44 LEU CA C 44 58.397 57.408 0.989 1
1 468 . 1 1 1 A 44 44 LEU CB C 44 41.553 42.444 -0.891 1
1 472 . 1 1 1 A 44 44 LEU N N 44 119.371 117.892 1.479 1
1 473 . 1 1 1 A 45 45 LYS H H 45 8.652 8.560 0.092 1
1 474 . 1 1 1 A 45 45 LYS HA H 45 3.678 4.334 -0.656 1
1 483 . 1 1 1 A 45 45 LYS C C 45 177.005 178.900 -1.895 1
1 484 . 1 1 1 A 45 45 LYS CA C 45 60.016 59.020 0.996 1
1 485 . 1 1 1 A 45 45 LYS CB C 45 32.411 32.582 -0.171 1
1 489 . 1 1 1 A 45 45 LYS N N 45 120.434 119.749 0.685 1
1 490 . 1 1 1 A 46 46 THR H H 46 8.180 8.308 -0.128 1
1 491 . 1 1 1 A 46 46 THR HA H 46 4.027 4.041 -0.014 1
1 496 . 1 1 1 A 46 46 THR C C 46 176.217 176.591 -0.374 1
1 497 . 1 1 1 A 46 46 THR CA C 46 65.173 66.144 -0.971 1
1 498 . 1 1 1 A 46 46 THR CB C 46 69.680 68.479 1.201 1
1 500 . 1 1 1 A 46 46 THR N N 46 109.149 116.363 -7.214 1
1 501 . 1 1 1 A 47 47 ASN H H 47 8.170 7.933 0.237 1
1 502 . 1 1 1 A 47 47 ASN HA H 47 4.785 4.643 0.142 1
1 505 . 1 1 1 A 47 47 ASN C C 47 175.267 175.939 -0.672 1
1 506 . 1 1 1 A 47 47 ASN CA C 47 54.213 55.509 -1.296 1
1 507 . 1 1 1 A 47 47 ASN CB C 47 40.712 39.242 1.470 1
1 508 . 1 1 1 A 47 47 ASN N N 47 116.045 120.150 -4.105 1
1 509 . 1 1 1 A 48 48 TYR H H 48 8.094 7.671 0.423 1
1 510 . 1 1 1 A 48 48 TYR HA H 48 4.695 4.719 -0.024 1
1 513 . 1 1 1 A 48 48 TYR C C 48 175.011 175.605 -0.594 1
1 514 . 1 1 1 A 48 48 TYR CA C 48 60.273 59.559 0.714 1
1 515 . 1 1 1 A 48 48 TYR CB C 48 41.189 39.002 2.187 1
1 516 . 1 1 1 A 48 48 TYR N N 48 115.849 116.203 -0.354 1
1 517 . 1 1 1 A 49 49 VAL H H 49 7.769 7.749 0.020 1
1 518 . 1 1 1 A 49 49 VAL HA H 49 3.715 3.969 -0.254 1
1 526 . 1 1 1 A 49 49 VAL C C 49 176.157 175.863 0.294 1
1 527 . 1 1 1 A 49 49 VAL CA C 49 63.454 63.018 0.436 1
1 528 . 1 1 1 A 49 49 VAL CB C 49 31.695 30.214 1.481 1
1 531 . 1 1 1 A 49 49 VAL N N 49 120.510 118.649 1.861 1
1 532 . 1 1 1 A 50 50 LYS H H 50 8.334 7.956 0.378 1
1 533 . 1 1 1 A 50 50 LYS HA H 50 4.242 3.921 0.321 1
1 542 . 1 1 1 A 50 50 LYS C C 50 176.562 177.450 -0.888 1
1 543 . 1 1 1 A 50 50 LYS CA C 50 55.979 59.862 -3.883 1
1 544 . 1 1 1 A 50 50 LYS CB C 50 32.822 32.512 0.310 1
1 548 . 1 1 1 A 50 50 LYS N N 50 125.933 128.911 -2.978 1
1 549 . 1 1 1 A 51 51 GLU H H 51 7.598 7.806 -0.208 1
1 550 . 1 1 1 A 51 51 GLU HA H 51 4.328 4.327 0.001 1
1 553 . 1 1 1 A 51 51 GLU C C 51 172.975 176.452 -3.477 1
1 554 . 1 1 1 A 51 51 GLU CA C 51 55.074 55.608 -0.534 1
1 555 . 1 1 1 A 51 51 GLU CB C 51 32.633 31.422 1.211 1
1 557 . 1 1 1 A 51 51 GLU N N 51 117.804 118.112 -0.308 1
1 558 . 1 1 1 A 52 52 ARG H H 52 8.383 8.336 0.047 1
1 559 . 1 1 1 A 52 52 ARG CA C 52 53.279 54.546 -1.267 1
1 560 . 1 1 1 A 52 52 ARG CB C 52 26.615 30.314 -3.699 1
1 561 . 1 1 1 A 52 52 ARG N N 52 111.793 122.105 -10.312 1
1 562 . 1 1 1 A 53 53 PRO HA H 53 4.029 4.324 -0.295 1
1 569 . 1 1 1 A 53 53 PRO C C 53 177.018 177.264 -0.246 1
1 570 . 1 1 1 A 53 53 PRO CA C 53 65.474 64.702 0.772 1
1 571 . 1 1 1 A 53 53 PRO CB C 53 30.916 31.940 -1.024 1
1 574 . 1 1 1 A 53 53 PRO N N 53 111.793 141.599 -29.806 1
1 575 . 1 1 1 A 54 54 ASP H H 54 8.462 8.384 0.078 1
1 576 . 1 1 1 A 54 54 ASP HA H 54 4.345 4.720 -0.375 1
1 579 . 1 1 1 A 54 54 ASP C C 54 176.493 177.060 -0.567 1
1 580 . 1 1 1 A 54 54 ASP CA C 54 54.982 54.300 0.682 1
1 581 . 1 1 1 A 54 54 ASP CB C 54 39.451 40.653 -1.202 1
1 582 . 1 1 1 A 54 54 ASP N N 54 113.848 118.028 -4.180 1
1 583 . 1 1 1 A 55 55 LEU H H 55 7.766 7.919 -0.153 1
1 584 . 1 1 1 A 55 55 LEU HA H 55 4.235 4.175 0.060 1
1 594 . 1 1 1 A 55 55 LEU C C 55 175.873 178.451 -2.578 1
1 595 . 1 1 1 A 55 55 LEU CA C 55 55.305 56.558 -1.253 1
1 596 . 1 1 1 A 55 55 LEU CB C 55 41.271 42.341 -1.070 1
1 600 . 1 1 1 A 55 55 LEU N N 55 117.721 117.735 -0.014 1
1 601 . 1 1 1 A 56 56 LEU H H 56 7.630 7.662 -0.032 1
1 602 . 1 1 1 A 56 56 LEU HA H 56 4.552 4.417 0.135 1
1 612 . 1 1 1 A 56 56 LEU C C 56 175.341 177.063 -1.722 1
1 613 . 1 1 1 A 56 56 LEU CA C 56 55.516 56.462 -0.946 1
1 614 . 1 1 1 A 56 56 LEU CB C 56 44.910 42.813 2.097 1
1 618 . 1 1 1 A 56 56 LEU N N 56 118.796 116.675 2.121 1
1 619 . 1 1 1 A 57 57 VAL H H 57 7.206 7.283 -0.077 1
1 620 . 1 1 1 A 57 57 VAL HA H 57 5.048 4.352 0.696 1
1 628 . 1 1 1 A 57 57 VAL C C 57 175.020 175.963 -0.943 1
1 629 . 1 1 1 A 57 57 VAL CA C 57 58.550 62.099 -3.549 1
1 630 . 1 1 1 A 57 57 VAL CB C 57 35.049 32.609 2.440 1
1 633 . 1 1 1 A 57 57 VAL N N 57 106.872 120.181 -13.309 1
1 634 . 1 1 1 A 58 58 ASP H H 58 8.447 9.230 -0.783 1
1 635 . 1 1 1 A 58 58 ASP HA H 58 4.459 4.370 0.089 1
1 638 . 1 1 1 A 58 58 ASP C C 58 177.406 176.863 0.543 1
1 639 . 1 1 1 A 58 58 ASP CA C 58 53.130 56.759 -3.629 1
1 640 . 1 1 1 A 58 58 ASP CB C 58 40.985 41.495 -0.510 1
1 641 . 1 1 1 A 58 58 ASP N N 58 118.741 123.915 -5.174 1
1 642 . 1 1 1 A 59 59 GLN H H 59 8.883 7.843 1.040 1
1 643 . 1 1 1 A 59 59 GLN HA H 59 4.031 4.581 -0.550 1
1 648 . 1 1 1 A 59 59 GLN C C 59 177.499 176.550 0.949 1
1 649 . 1 1 1 A 59 59 GLN CA C 59 59.120 57.167 1.953 1
1 650 . 1 1 1 A 59 59 GLN CB C 59 28.389 31.338 -2.949 1
1 652 . 1 1 1 A 59 59 GLN N N 59 119.603 117.031 2.572 1
1 653 . 1 1 1 A 60 60 THR H H 60 8.060 8.096 -0.036 1
1 654 . 1 1 1 A 60 60 THR HA H 60 4.296 4.426 -0.130 1
1 659 . 1 1 1 A 60 60 THR C C 60 176.363 175.082 1.281 1
1 660 . 1 1 1 A 60 60 THR CA C 60 63.358 61.939 1.419 1
1 661 . 1 1 1 A 60 60 THR CB C 60 70.577 69.299 1.278 1
1 663 . 1 1 1 A 60 60 THR N N 60 109.323 108.777 0.546 1
1 664 . 1 1 1 A 61 61 GLY H H 61 8.001 7.961 0.040 1
1 665 . 1 1 1 A 61 61 GLY HA2 H 61 4.173 3.890 0.283 1
1 666 . 1 1 1 A 61 61 GLY HA3 H 61 3.610 3.892 -0.282 1
1 667 . 1 1 1 A 61 61 GLY C C 61 174.049 174.397 -0.348 1
1 668 . 1 1 1 A 61 61 GLY CA C 61 45.301 46.401 -1.100 1
1 669 . 1 1 1 A 61 61 GLY N N 61 109.323 110.260 -0.937 1
1 670 . 1 1 1 A 62 62 GLN H H 62 8.091 7.915 0.176 1
1 671 . 1 1 1 A 62 62 GLN HA H 62 4.172 4.547 -0.375 1
1 674 . 1 1 1 A 62 62 GLN C C 62 175.201 175.486 -0.285 1
1 675 . 1 1 1 A 62 62 GLN CA C 62 56.474 57.156 -0.682 1
1 676 . 1 1 1 A 62 62 GLN CB C 62 30.618 30.908 -0.290 1
1 678 . 1 1 1 A 62 62 GLN N N 62 117.247 120.219 -2.972 1
1 679 . 1 1 1 A 63 63 THR H H 63 7.740 7.815 -0.075 1
1 680 . 1 1 1 A 63 63 THR HA H 63 4.624 4.941 -0.317 1
1 685 . 1 1 1 A 63 63 THR C C 63 172.622 173.621 -0.999 1
1 686 . 1 1 1 A 63 63 THR CA C 63 59.718 59.714 0.004 1
1 687 . 1 1 1 A 63 63 THR CB C 63 70.832 72.212 -1.380 1
1 689 . 1 1 1 A 63 63 THR N N 63 113.860 109.467 4.393 1
1 690 . 1 1 1 A 64 64 LEU H H 64 8.364 8.883 -0.519 1
1 691 . 1 1 1 A 64 64 LEU HA H 64 4.324 5.073 -0.749 1
1 701 . 1 1 1 A 64 64 LEU C C 64 176.311 176.498 -0.187 1
1 702 . 1 1 1 A 64 64 LEU CA C 64 55.025 53.215 1.810 1
1 703 . 1 1 1 A 64 64 LEU CB C 64 43.871 44.582 -0.711 1
1 707 . 1 1 1 A 64 64 LEU N N 64 123.689 120.894 2.795 1
1 708 . 1 1 1 A 65 65 ARG H H 65 8.192 9.141 -0.949 1
1 709 . 1 1 1 A 65 65 ARG C C 65 173.609 176.650 -3.041 1
1 710 . 1 1 1 A 65 65 ARG CA C 65 55.287 55.284 0.003 1
1 711 . 1 1 1 A 65 65 ARG CB C 65 29.681 30.291 -0.610 1
1 712 . 1 1 1 A 65 65 ARG N N 65 126.639 121.955 4.684 1
1 713 . 1 1 1 A 66 66 PRO HA H 66 4.390 4.293 0.097 1
1 720 . 1 1 1 A 66 66 PRO C C 66 177.030 178.678 -1.648 1
1 721 . 1 1 1 A 66 66 PRO CA C 66 63.719 65.380 -1.661 1
1 722 . 1 1 1 A 66 66 PRO CB C 66 31.825 31.885 -0.060 1
1 725 . 1 1 1 A 66 66 PRO N N 66 126.639 136.979 -10.340 1
1 726 . 1 1 1 A 67 67 GLY H H 67 8.744 8.465 0.279 1
1 727 . 1 1 1 A 67 67 GLY HA2 H 67 4.232 3.916 0.316 1
1 728 . 1 1 1 A 67 67 GLY HA3 H 67 3.544 3.917 -0.373 1
1 729 . 1 1 1 A 67 67 GLY C C 67 174.319 174.735 -0.416 1
1 730 . 1 1 1 A 67 67 GLY CA C 67 44.818 47.055 -2.237 1
1 731 . 1 1 1 A 68 68 ILE H H 68 7.522 7.726 -0.204 1
1 732 . 1 1 1 A 68 68 ILE HA H 68 4.690 4.561 0.129 1
1 742 . 1 1 1 A 68 68 ILE C C 68 174.703 175.346 -0.643 1
1 743 . 1 1 1 A 68 68 ILE CA C 68 61.047 60.676 0.371 1
1 744 . 1 1 1 A 68 68 ILE CB C 68 38.090 38.966 -0.876 1
1 748 . 1 1 1 A 68 68 ILE N N 68 121.049 120.295 0.754 1
1 749 . 1 1 1 A 69 69 LEU H H 69 9.207 9.273 -0.066 1
1 750 . 1 1 1 A 69 69 LEU HA H 69 4.449 5.095 -0.646 1
1 760 . 1 1 1 A 69 69 LEU C C 69 174.991 175.676 -0.685 1
1 761 . 1 1 1 A 69 69 LEU CA C 69 54.106 53.590 0.516 1
1 762 . 1 1 1 A 69 69 LEU CB C 69 43.588 44.236 -0.648 1
1 766 . 1 1 1 A 69 69 LEU N N 69 131.197 129.797 1.400 1
1 767 . 1 1 1 A 70 70 VAL H H 70 8.149 8.696 -0.547 1
1 768 . 1 1 1 A 70 70 VAL HA H 70 4.955 4.964 -0.009 1
1 776 . 1 1 1 A 70 70 VAL C C 70 175.167 175.155 0.012 1
1 777 . 1 1 1 A 70 70 VAL CA C 70 59.928 61.244 -1.316 1
1 778 . 1 1 1 A 70 70 VAL CB C 70 33.239 32.882 0.357 1
1 781 . 1 1 1 A 70 70 VAL N N 70 121.953 124.982 -3.029 1
1 782 . 1 1 1 A 71 71 LEU H H 71 8.881 8.130 0.751 1
1 783 . 1 1 1 A 71 71 LEU HA H 71 4.922 5.238 -0.316 1
1 793 . 1 1 1 A 71 71 LEU C C 71 176.487 175.541 0.946 1
1 794 . 1 1 1 A 71 71 LEU CA C 71 52.627 53.380 -0.753 1
1 795 . 1 1 1 A 71 71 LEU CB C 71 44.487 45.961 -1.474 1
1 799 . 1 1 1 A 71 71 LEU N N 71 126.071 125.745 0.326 1
1 800 . 1 1 1 A 72 72 VAL H H 72 9.048 9.052 -0.004 1
1 801 . 1 1 1 A 72 72 VAL HA H 72 4.351 4.717 -0.366 1
1 809 . 1 1 1 A 72 72 VAL C C 72 176.078 176.051 0.027 1
1 810 . 1 1 1 A 72 72 VAL CA C 72 60.886 61.256 -0.370 1
1 811 . 1 1 1 A 72 72 VAL CB C 72 33.141 33.452 -0.311 1
1 814 . 1 1 1 A 72 72 VAL N N 72 120.969 124.244 -3.275 1
1 815 . 1 1 1 A 73 73 ASN H H 73 9.630 9.416 0.214 1
1 816 . 1 1 1 A 73 73 ASN HA H 73 4.335 4.341 -0.006 1
1 821 . 1 1 1 A 73 73 ASN C C 73 175.496 174.643 0.853 1
1 822 . 1 1 1 A 73 73 ASN CA C 73 54.736 54.509 0.227 1
1 823 . 1 1 1 A 73 73 ASN CB C 73 36.825 36.901 -0.076 1
1 824 . 1 1 1 A 73 73 ASN N N 73 129.082 127.993 1.089 1
1 825 . 1 1 1 A 74 74 SER H H 74 9.308 8.403 0.905 1
1 826 . 1 1 1 A 74 74 SER C C 74 172.584 173.216 -0.632 1
1 827 . 1 1 1 A 74 74 SER N N 74 106.084 108.873 -2.789 1
1 828 . 1 1 1 A 75 75 CYS H H 75 7.845 7.607 0.238 1
1 829 . 1 1 1 A 75 75 CYS C C 75 176.045 172.674 3.371 1
1 830 . 1 1 1 A 75 75 CYS CA C 75 57.152 58.120 -0.968 1
1 831 . 1 1 1 A 75 75 CYS CB C 75 29.101 31.292 -2.191 1
1 832 . 1 1 1 A 75 75 CYS N N 75 120.460 118.911 1.549 1
1 833 . 1 1 1 A 76 76 ASP H H 76 8.766 8.572 0.194 1
1 834 . 1 1 1 A 76 76 ASP HA H 76 4.295 4.452 -0.157 1
1 837 . 1 1 1 A 76 76 ASP C C 76 177.713 177.181 0.532 1
1 838 . 1 1 1 A 76 76 ASP CA C 76 55.721 54.951 0.770 1
1 839 . 1 1 1 A 76 76 ASP CB C 76 41.513 40.819 0.694 1
1 840 . 1 1 1 A 76 76 ASP N N 76 126.661 124.231 2.430 1
1 841 . 1 1 1 A 77 77 ALA H H 77 8.555 9.149 -0.594 1
1 842 . 1 1 1 A 77 77 ALA HA H 77 3.688 4.089 -0.401 1
1 846 . 1 1 1 A 77 77 ALA C C 77 180.149 178.868 1.281 1
1 847 . 1 1 1 A 77 77 ALA CA C 77 54.334 53.999 0.335 1
1 848 . 1 1 1 A 77 77 ALA CB C 77 18.453 18.397 0.056 1
1 849 . 1 1 1 A 77 77 ALA N N 77 128.302 126.236 2.066 1
1 850 . 1 1 1 A 78 78 GLU H H 78 9.034 7.704 1.330 1
1 851 . 1 1 1 A 78 78 GLU HA H 78 3.763 4.207 -0.444 1
1 856 . 1 1 1 A 78 78 GLU C C 78 179.359 178.870 0.489 1
1 857 . 1 1 1 A 78 78 GLU CA C 78 59.569 58.932 0.637 1
1 858 . 1 1 1 A 78 78 GLU CB C 78 29.511 28.918 0.593 1
1 860 . 1 1 1 A 78 78 GLU N N 78 117.499 118.788 -1.289 1
1 861 . 1 1 1 A 79 79 VAL H H 79 7.753 7.922 -0.169 1
1 862 . 1 1 1 A 79 79 VAL HA H 79 3.927 3.625 0.302 1
1 870 . 1 1 1 A 79 79 VAL C C 79 177.408 177.849 -0.441 1
1 871 . 1 1 1 A 79 79 VAL CA C 79 64.439 66.508 -2.069 1
1 872 . 1 1 1 A 79 79 VAL CB C 79 31.904 31.609 0.295 1
1 875 . 1 1 1 A 79 79 VAL N N 79 115.536 121.234 -5.698 1
1 876 . 1 1 1 A 80 80 VAL H H 80 7.123 7.791 -0.668 1
1 877 . 1 1 1 A 80 80 VAL HA H 80 4.443 3.941 0.502 1
1 885 . 1 1 1 A 80 80 VAL C C 80 175.020 176.844 -1.824 1
1 886 . 1 1 1 A 80 80 VAL CA C 80 60.286 65.251 -4.965 1
1 887 . 1 1 1 A 80 80 VAL CB C 80 30.948 31.703 -0.755 1
1 890 . 1 1 1 A 80 80 VAL N N 80 109.738 116.771 -7.033 1
1 891 . 1 1 1 A 81 81 GLY H H 81 7.210 7.253 -0.043 1
1 892 . 1 1 1 A 81 81 GLY HA2 H 81 4.511 4.033 0.478 1
1 893 . 1 1 1 A 81 81 GLY HA3 H 81 3.664 4.065 -0.401 1
1 894 . 1 1 1 A 81 81 GLY C C 81 175.262 175.942 -0.680 1
1 895 . 1 1 1 A 81 81 GLY CA C 81 44.964 45.569 -0.605 1
1 896 . 1 1 1 A 81 81 GLY N N 81 106.697 109.259 -2.562 1
1 897 . 1 1 1 A 82 82 GLY H H 82 8.673 8.424 0.249 1
1 898 . 1 1 1 A 82 82 GLY HA2 H 82 4.022 4.028 -0.006 1
1 899 . 1 1 1 A 82 82 GLY HA3 H 82 3.150 4.034 -0.884 1
1 900 . 1 1 1 A 82 82 GLY C C 82 174.547 173.996 0.551 1
1 901 . 1 1 1 A 82 82 GLY CA C 82 45.151 45.845 -0.694 1
1 902 . 1 1 1 A 82 82 GLY N N 82 111.931 108.790 3.141 1
1 903 . 1 1 1 A 83 83 MET H H 83 8.841 7.825 1.016 1
1 904 . 1 1 1 A 83 83 MET HA H 83 4.582 4.843 -0.261 1
1 909 . 1 1 1 A 83 83 MET C C 83 176.001 175.222 0.779 1
1 910 . 1 1 1 A 83 83 MET CA C 83 55.737 54.575 1.162 1
1 911 . 1 1 1 A 83 83 MET CB C 83 30.273 33.290 -3.017 1
1 913 . 1 1 1 A 83 83 MET N N 83 119.840 115.513 4.327 1
1 914 . 1 1 1 A 84 84 ASP H H 84 7.395 8.056 -0.661 1
1 915 . 1 1 1 A 84 84 ASP HA H 84 4.695 4.979 -0.284 1
1 918 . 1 1 1 A 84 84 ASP C C 84 176.694 174.981 1.713 1
1 919 . 1 1 1 A 84 84 ASP CA C 84 54.300 53.015 1.285 1
1 920 . 1 1 1 A 84 84 ASP CB C 84 41.551 41.874 -0.323 1
1 921 . 1 1 1 A 84 84 ASP N N 84 114.478 121.146 -6.668 1
1 922 . 1 1 1 A 85 85 TYR H H 85 7.930 8.039 -0.109 1
1 923 . 1 1 1 A 85 85 TYR HA H 85 4.148 4.834 -0.686 1
1 926 . 1 1 1 A 85 85 TYR C C 85 173.845 175.214 -1.369 1
1 927 . 1 1 1 A 85 85 TYR CA C 85 59.520 56.496 3.024 1
1 928 . 1 1 1 A 85 85 TYR CB C 85 38.105 38.642 -0.537 1
1 929 . 1 1 1 A 85 85 TYR N N 85 123.769 122.327 1.442 1
1 930 . 1 1 1 A 86 86 VAL H H 86 7.755 8.237 -0.482 1
1 931 . 1 1 1 A 86 86 VAL HA H 86 3.402 4.047 -0.645 1
1 939 . 1 1 1 A 86 86 VAL C C 86 173.896 175.757 -1.861 1
1 940 . 1 1 1 A 86 86 VAL CA C 86 62.779 62.091 0.688 1
1 941 . 1 1 1 A 86 86 VAL CB C 86 31.843 32.600 -0.757 1
1 944 . 1 1 1 A 86 86 VAL N N 86 130.130 124.250 5.880 1
1 945 . 1 1 1 A 87 87 LEU H H 87 7.069 8.871 -1.802 1
1 946 . 1 1 1 A 87 87 LEU HA H 87 3.833 5.007 -1.174 1
1 956 . 1 1 1 A 87 87 LEU C C 87 176.432 176.329 0.103 1
1 957 . 1 1 1 A 87 87 LEU CA C 87 55.977 53.061 2.916 1
1 958 . 1 1 1 A 87 87 LEU CB C 87 42.126 44.545 -2.419 1
1 962 . 1 1 1 A 87 87 LEU N N 87 121.577 125.720 -4.143 1
1 963 . 1 1 1 A 88 88 ASN H H 88 8.705 8.699 0.006 1
1 964 . 1 1 1 A 88 88 ASN HA H 88 4.717 5.034 -0.317 1
1 967 . 1 1 1 A 88 88 ASN C C 88 173.156 174.453 -1.297 1
1 968 . 1 1 1 A 88 88 ASN CA C 88 51.471 52.291 -0.820 1
1 969 . 1 1 1 A 88 88 ASN CB C 88 41.622 39.636 1.986 1
1 970 . 1 1 1 A 88 88 ASN N N 88 120.561 120.608 -0.047 1
1 971 . 1 1 1 A 89 89 ASP H H 89 8.482 8.573 -0.091 1
1 972 . 1 1 1 A 89 89 ASP HA H 89 3.937 4.338 -0.401 1
1 975 . 1 1 1 A 89 89 ASP C C 89 178.751 175.675 3.076 1
1 976 . 1 1 1 A 89 89 ASP CA C 89 56.268 55.169 1.099 1
1 977 . 1 1 1 A 89 89 ASP CB C 89 40.380 40.389 -0.009 1
1 978 . 1 1 1 A 89 89 ASP N N 89 122.084 119.110 2.974 1
1 979 . 1 1 1 A 90 90 GLY H H 90 9.334 8.401 0.933 1
1 980 . 1 1 1 A 90 90 GLY HA2 H 90 4.314 3.921 0.393 1
1 981 . 1 1 1 A 90 90 GLY HA3 H 90 3.619 3.932 -0.313 1
1 982 . 1 1 1 A 90 90 GLY C C 90 174.907 173.517 1.390 1
1 983 . 1 1 1 A 90 90 GLY CA C 90 45.076 45.647 -0.571 1
1 984 . 1 1 1 A 90 90 GLY N N 90 117.218 113.079 4.139 1
1 985 . 1 1 1 A 91 91 ASP H H 91 7.987 7.826 0.161 1
1 986 . 1 1 1 A 91 91 ASP HA H 91 4.745 5.089 -0.344 1
1 989 . 1 1 1 A 91 91 ASP C C 91 175.436 174.838 0.598 1
1 990 . 1 1 1 A 91 91 ASP CA C 91 55.954 52.718 3.236 1
1 991 . 1 1 1 A 91 91 ASP CB C 91 41.876 43.675 -1.799 1
1 992 . 1 1 1 A 91 91 ASP N N 91 122.336 120.483 1.853 1
1 993 . 1 1 1 A 92 92 THR H H 92 8.227 8.729 -0.502 1
1 994 . 1 1 1 A 92 92 THR HA H 92 5.093 5.009 0.084 1
1 999 . 1 1 1 A 92 92 THR C C 92 173.702 172.825 0.877 1
1 1000 . 1 1 1 A 92 92 THR CA C 92 61.477 61.581 -0.104 1
1 1001 . 1 1 1 A 92 92 THR CB C 92 70.032 71.845 -1.813 1
1 1003 . 1 1 1 A 92 92 THR N N 92 115.456 116.503 -1.047 1
1 1004 . 1 1 1 A 93 93 VAL H H 93 9.039 9.039 0.000 1
1 1005 . 1 1 1 A 93 93 VAL HA H 93 4.731 4.887 -0.156 1
1 1013 . 1 1 1 A 93 93 VAL C C 93 173.391 172.860 0.531 1
1 1014 . 1 1 1 A 93 93 VAL CA C 93 59.984 59.734 0.250 1
1 1015 . 1 1 1 A 93 93 VAL CB C 93 33.978 35.463 -1.485 1
1 1018 . 1 1 1 A 93 93 VAL N N 93 129.109 125.066 4.043 1
1 1019 . 1 1 1 A 94 94 GLU H H 94 9.012 8.271 0.741 1
1 1020 . 1 1 1 A 94 94 GLU HA H 94 4.941 4.525 0.416 1
1 1025 . 1 1 1 A 94 94 GLU C C 94 173.669 174.788 -1.119 1
1 1026 . 1 1 1 A 94 94 GLU CA C 94 53.577 54.162 -0.585 1
1 1027 . 1 1 1 A 94 94 GLU CB C 94 32.853 33.491 -0.638 1
1 1029 . 1 1 1 A 94 94 GLU N N 94 126.881 126.766 0.115 1
1 1030 . 1 1 1 A 95 95 PHE H H 95 9.012 8.085 0.927 1
1 1031 . 1 1 1 A 95 95 PHE HA H 95 4.941 5.138 -0.197 1
1 1034 . 1 1 1 A 95 95 PHE C C 95 174.687 174.732 -0.045 1
1 1035 . 1 1 1 A 95 95 PHE CA C 95 56.843 56.595 0.248 1
1 1036 . 1 1 1 A 95 95 PHE CB C 95 40.889 40.821 0.068 1
1 1037 . 1 1 1 A 95 95 PHE N N 95 122.718 119.877 2.841 1
1 1038 . 1 1 1 A 96 96 ILE H H 96 9.292 9.237 0.055 1
1 1039 . 1 1 1 A 96 96 ILE HA H 96 4.573 4.837 -0.264 1
1 1049 . 1 1 1 A 96 96 ILE C C 96 175.897 174.712 1.185 1
1 1050 . 1 1 1 A 96 96 ILE CA C 96 59.748 60.452 -0.704 1
1 1051 . 1 1 1 A 96 96 ILE CB C 96 40.938 40.032 0.906 1
1 1055 . 1 1 1 A 96 96 ILE N N 96 123.112 124.742 -1.630 1
1 1056 . 1 1 1 A 97 97 SER H H 97 8.245 8.931 -0.686 1
1 1057 . 1 1 1 A 97 97 SER HA H 97 4.800 4.694 0.106 1
1 1060 . 1 1 1 A 97 97 SER C C 97 175.130 174.427 0.703 1
1 1061 . 1 1 1 A 97 97 SER CA C 97 58.154 58.644 -0.490 1
1 1062 . 1 1 1 A 97 97 SER CB C 97 63.137 63.869 -0.732 1
1 1063 . 1 1 1 A 97 97 SER N N 97 121.343 122.662 -1.319 1
1 1064 . 1 1 1 A 98 98 THR H H 98 8.181 8.970 -0.789 1
1 1065 . 1 1 1 A 98 98 THR HA H 98 4.549 4.536 0.013 1
1 1070 . 1 1 1 A 98 98 THR C C 98 174.729 174.338 0.391 1
1 1071 . 1 1 1 A 98 98 THR CA C 98 61.603 62.394 -0.791 1
1 1072 . 1 1 1 A 98 98 THR CB C 98 69.890 70.278 -0.388 1
1 1074 . 1 1 1 A 98 98 THR N N 98 116.451 117.198 -0.747 1
1 1075 . 1 1 1 A 99 99 LEU H H 99 8.033 7.299 0.734 1
1 1076 . 1 1 1 A 99 99 LEU HA H 99 4.234 4.353 -0.119 1
1 1086 . 1 1 1 A 99 99 LEU C C 99 177.349 176.455 0.894 1
1 1087 . 1 1 1 A 99 99 LEU CA C 99 55.517 54.653 0.864 1
1 1088 . 1 1 1 A 99 99 LEU CB C 99 41.996 42.267 -0.271 1
1 1092 . 1 1 1 A 99 99 LEU N N 99 122.869 122.519 0.350 1
1 1093 . 1 1 1 A 100 100 HIS H H 100 8.558 9.093 -0.535 1
1 1094 . 1 1 1 A 100 100 HIS HA H 100 4.460 4.014 0.446 1
1 1097 . 1 1 1 A 100 100 HIS C C 100 175.718 175.256 0.462 1
1 1098 . 1 1 1 A 100 100 HIS CA C 100 56.096 59.607 -3.511 1
1 1099 . 1 1 1 A 100 100 HIS CB C 100 29.709 29.938 -0.229 1
1 1100 . 1 1 1 A 100 100 HIS N N 100 120.437 126.513 -6.076 1
1 1101 . 1 1 1 A 101 101 GLY H H 101 8.477 7.982 0.495 1
1 1102 . 1 1 1 A 101 101 GLY HA2 H 101 3.888 3.820 0.068 1
1 1103 . 1 1 1 A 101 101 GLY HA3 H 101 3.888 3.859 0.029 1
1 1104 . 1 1 1 A 101 101 GLY C C 101 174.614 174.666 -0.052 1
1 1105 . 1 1 1 A 101 101 GLY CA C 101 45.529 47.162 -1.633 1
1 1106 . 1 1 1 A 101 101 GLY N N 101 110.340 106.676 3.664 1
1 7 . 2 1 1 A 2 2 SER H H 2 8.206 8.298 -0.092 1
1 8 . 2 1 1 A 2 2 SER N N 2 126.498 112.391 14.107 1
1 9 . 2 1 1 A 3 3 ASN HA H 3 5.166 5.180 -0.014 1
1 12 . 2 1 1 A 3 3 ASN C C 3 175.527 173.291 2.236 1
1 13 . 2 1 1 A 3 3 ASN CA C 3 51.466 52.018 -0.552 1
1 14 . 2 1 1 A 3 3 ASN CB C 3 39.931 42.332 -2.401 1
1 15 . 2 1 1 A 4 4 HIS H H 4 8.859 8.875 -0.016 1
1 16 . 2 1 1 A 4 4 HIS HA H 4 4.165 5.003 -0.838 1
1 19 . 2 1 1 A 4 4 HIS C C 4 175.897 173.736 2.161 1
1 20 . 2 1 1 A 4 4 HIS CA C 4 56.644 55.209 1.435 1
1 21 . 2 1 1 A 4 4 HIS CB C 4 30.122 30.026 0.096 1
1 22 . 2 1 1 A 4 4 HIS N N 4 120.656 121.498 -0.842 1
1 23 . 2 1 1 A 5 5 ASN H H 5 8.263 8.880 -0.617 1
1 24 . 2 1 1 A 5 5 ASN HA H 5 4.274 6.100 -1.826 1
1 27 . 2 1 1 A 5 5 ASN C C 5 177.939 174.050 3.889 1
1 28 . 2 1 1 A 5 5 ASN CA C 5 57.261 51.539 5.722 1
1 29 . 2 1 1 A 5 5 ASN CB C 5 38.232 41.190 -2.958 1
1 30 . 2 1 1 A 5 5 ASN N N 5 121.699 120.629 1.070 1
1 31 . 2 1 1 A 6 6 HIS H H 6 9.675 8.743 0.932 1
1 32 . 2 1 1 A 6 6 HIS HA H 6 5.261 4.920 0.341 1
1 35 . 2 1 1 A 6 6 HIS C C 6 171.876 172.775 -0.899 1
1 36 . 2 1 1 A 6 6 HIS CA C 6 56.016 56.253 -0.237 1
1 37 . 2 1 1 A 6 6 HIS CB C 6 31.324 32.799 -1.475 1
1 38 . 2 1 1 A 6 6 HIS N N 6 117.245 119.630 -2.385 1
1 39 . 2 1 1 A 7 7 ILE H H 7 7.753 8.648 -0.895 1
1 40 . 2 1 1 A 7 7 ILE HA H 7 4.442 4.973 -0.531 1
1 50 . 2 1 1 A 7 7 ILE C C 7 174.518 174.873 -0.355 1
1 51 . 2 1 1 A 7 7 ILE CA C 7 57.922 59.717 -1.795 1
1 52 . 2 1 1 A 7 7 ILE CB C 7 39.790 40.920 -1.130 1
1 56 . 2 1 1 A 7 7 ILE N N 7 126.114 122.862 3.252 1
1 57 . 2 1 1 A 8 8 THR H H 8 8.238 8.371 -0.133 1
1 58 . 2 1 1 A 8 8 THR HA H 8 4.733 4.676 0.057 1
1 63 . 2 1 1 A 8 8 THR C C 8 172.672 172.531 0.141 1
1 64 . 2 1 1 A 8 8 THR CA C 8 62.203 61.867 0.336 1
1 65 . 2 1 1 A 8 8 THR CB C 8 70.202 69.273 0.929 1
1 67 . 2 1 1 A 8 8 THR N N 8 123.879 121.670 2.209 1
1 68 . 2 1 1 A 9 9 VAL H H 9 8.717 9.160 -0.443 1
1 69 . 2 1 1 A 9 9 VAL HA H 9 5.165 4.894 0.271 1
1 77 . 2 1 1 A 9 9 VAL C C 9 173.545 174.292 -0.747 1
1 78 . 2 1 1 A 9 9 VAL CA C 9 59.279 59.880 -0.601 1
1 79 . 2 1 1 A 9 9 VAL CB C 9 33.495 33.982 -0.487 1
1 82 . 2 1 1 A 9 9 VAL N N 9 124.808 126.954 -2.146 1
1 83 . 2 1 1 A 10 10 GLN H H 10 8.863 8.301 0.562 1
1 84 . 2 1 1 A 10 10 GLN HA H 10 4.841 4.790 0.051 1
1 87 . 2 1 1 A 10 10 GLN C C 10 173.774 173.786 -0.012 1
1 88 . 2 1 1 A 10 10 GLN CA C 10 53.092 53.452 -0.360 1
1 89 . 2 1 1 A 10 10 GLN CB C 10 32.226 32.479 -0.253 1
1 91 . 2 1 1 A 10 10 GLN N N 10 123.709 125.692 -1.983 1
1 92 . 2 1 1 A 11 11 PHE H H 11 8.252 8.415 -0.163 1
1 93 . 2 1 1 A 11 11 PHE HA H 11 5.661 5.510 0.151 1
1 96 . 2 1 1 A 11 11 PHE C C 11 175.180 175.105 0.075 1
1 97 . 2 1 1 A 11 11 PHE CA C 11 55.799 56.706 -0.907 1
1 98 . 2 1 1 A 11 11 PHE CB C 11 43.197 42.569 0.628 1
1 99 . 2 1 1 A 11 11 PHE N N 11 119.002 118.101 0.901 1
1 100 . 2 1 1 A 12 12 ALA H H 12 8.989 8.459 0.530 1
1 101 . 2 1 1 A 12 12 ALA HA H 12 4.971 4.991 -0.020 1
1 105 . 2 1 1 A 12 12 ALA C C 12 179.413 178.108 1.305 1
1 106 . 2 1 1 A 12 12 ALA CA C 12 51.675 51.302 0.373 1
1 107 . 2 1 1 A 12 12 ALA CB C 12 23.716 22.981 0.735 1
1 108 . 2 1 1 A 12 12 ALA N N 12 123.388 123.816 -0.428 1
1 109 . 2 1 1 A 13 13 GLY H H 13 9.188 8.914 0.274 1
1 110 . 2 1 1 A 13 13 GLY HA2 H 13 4.477 3.884 0.593 1
1 111 . 2 1 1 A 13 13 GLY HA3 H 13 3.937 3.895 0.042 1
1 112 . 2 1 1 A 13 13 GLY C C 13 173.600 174.888 -1.288 1
1 113 . 2 1 1 A 13 13 GLY CA C 13 46.252 47.286 -1.034 1
1 114 . 2 1 1 A 13 13 GLY N N 13 110.134 108.500 1.634 1
1 115 . 2 1 1 A 14 14 GLY H H 14 9.510 8.388 1.122 1
1 116 . 2 1 1 A 14 14 GLY HA2 H 14 4.600 4.214 0.386 1
1 117 . 2 1 1 A 14 14 GLY HA3 H 14 3.453 4.233 -0.780 1
1 118 . 2 1 1 A 14 14 GLY C C 14 177.136 175.030 2.106 1
1 119 . 2 1 1 A 14 14 GLY CA C 14 44.792 45.525 -0.733 1
1 120 . 2 1 1 A 14 14 GLY N N 14 109.966 113.077 -3.111 1
1 121 . 2 1 1 A 15 15 CYS H H 15 7.748 8.079 -0.331 1
1 122 . 2 1 1 A 15 15 CYS HA H 15 3.883 4.728 -0.845 1
1 125 . 2 1 1 A 15 15 CYS C C 15 175.011 175.316 -0.305 1
1 126 . 2 1 1 A 15 15 CYS CA C 15 62.034 58.803 3.231 1
1 127 . 2 1 1 A 15 15 CYS N N 15 121.082 117.614 3.468 1
1 128 . 2 1 1 A 16 16 GLU H H 16 7.837 8.536 -0.699 1
1 129 . 2 1 1 A 16 16 GLU HA H 16 4.009 3.916 0.093 1
1 134 . 2 1 1 A 16 16 GLU C C 16 178.419 178.007 0.412 1
1 135 . 2 1 1 A 16 16 GLU CA C 16 58.599 58.754 -0.155 1
1 136 . 2 1 1 A 16 16 GLU CB C 16 27.745 30.330 -2.585 1
1 138 . 2 1 1 A 16 16 GLU N N 16 120.416 119.197 1.219 1
1 139 . 2 1 1 A 17 17 LEU H H 17 7.626 8.004 -0.378 1
1 140 . 2 1 1 A 17 17 LEU HA H 17 3.927 4.121 -0.194 1
1 150 . 2 1 1 A 17 17 LEU C C 17 178.349 177.942 0.407 1
1 151 . 2 1 1 A 17 17 LEU CA C 17 57.105 57.066 0.039 1
1 152 . 2 1 1 A 17 17 LEU CB C 17 40.474 41.580 -1.106 1
1 156 . 2 1 1 A 17 17 LEU N N 17 122.648 121.296 1.352 1
1 157 . 2 1 1 A 18 18 LEU H H 18 7.488 7.930 -0.442 1
1 158 . 2 1 1 A 18 18 LEU HA H 18 4.143 4.213 -0.070 1
1 168 . 2 1 1 A 18 18 LEU C C 18 175.859 177.042 -1.183 1
1 169 . 2 1 1 A 18 18 LEU CA C 18 55.729 55.708 0.021 1
1 170 . 2 1 1 A 18 18 LEU CB C 18 40.532 40.746 -0.214 1
1 174 . 2 1 1 A 18 18 LEU N N 18 117.565 115.356 2.209 1
1 175 . 2 1 1 A 19 19 PHE H H 19 7.164 7.827 -0.663 1
1 176 . 2 1 1 A 19 19 PHE HA H 19 4.395 4.831 -0.436 1
1 179 . 2 1 1 A 19 19 PHE C C 19 176.362 175.633 0.729 1
1 180 . 2 1 1 A 19 19 PHE CA C 19 56.373 58.907 -2.534 1
1 181 . 2 1 1 A 19 19 PHE CB C 19 39.143 40.707 -1.564 1
1 182 . 2 1 1 A 19 19 PHE N N 19 117.899 118.747 -0.848 1
1 183 . 2 1 1 A 20 20 ALA H H 20 8.780 7.693 1.087 1
1 184 . 2 1 1 A 20 20 ALA HA H 20 4.087 4.488 -0.401 1
1 188 . 2 1 1 A 20 20 ALA C C 20 176.512 177.523 -1.011 1
1 189 . 2 1 1 A 20 20 ALA CA C 20 53.279 51.446 1.833 1
1 190 . 2 1 1 A 20 20 ALA CB C 20 17.047 19.287 -2.240 1
1 191 . 2 1 1 A 20 20 ALA N N 20 123.417 119.551 3.866 1
1 192 . 2 1 1 A 21 21 LYS H H 21 7.825 8.215 -0.390 1
1 193 . 2 1 1 A 21 21 LYS HA H 21 3.181 3.872 -0.691 1
1 202 . 2 1 1 A 21 21 LYS C C 21 175.295 175.690 -0.395 1
1 203 . 2 1 1 A 21 21 LYS CA C 21 58.666 57.403 1.263 1
1 204 . 2 1 1 A 21 21 LYS CB C 21 29.784 29.727 0.057 1
1 208 . 2 1 1 A 21 21 LYS N N 21 108.448 112.550 -4.102 1
1 209 . 2 1 1 A 22 22 GLN H H 22 7.611 8.102 -0.491 1
1 210 . 2 1 1 A 22 22 GLN HA H 22 4.429 4.559 -0.130 1
1 215 . 2 1 1 A 22 22 GLN C C 22 174.967 176.348 -1.381 1
1 216 . 2 1 1 A 22 22 GLN CA C 22 56.105 55.961 0.144 1
1 217 . 2 1 1 A 22 22 GLN CB C 22 29.548 30.768 -1.220 1
1 219 . 2 1 1 A 22 22 GLN N N 22 120.482 118.018 2.464 1
1 220 . 2 1 1 A 23 23 THR H H 23 8.201 8.725 -0.524 1
1 221 . 2 1 1 A 23 23 THR HA H 23 4.491 4.526 -0.035 1
1 226 . 2 1 1 A 23 23 THR C C 23 175.012 174.933 0.079 1
1 227 . 2 1 1 A 23 23 THR CA C 23 62.436 62.175 0.261 1
1 228 . 2 1 1 A 23 23 THR CB C 23 69.501 69.447 0.054 1
1 229 . 2 1 1 A 23 23 THR N N 23 110.354 113.342 -2.988 1
1 230 . 2 1 1 A 24 24 SER H H 24 7.751 8.042 -0.291 1
1 231 . 2 1 1 A 24 24 SER HA H 24 5.136 4.874 0.262 1
1 234 . 2 1 1 A 24 24 SER C C 24 172.623 173.234 -0.611 1
1 235 . 2 1 1 A 24 24 SER CA C 24 57.192 56.532 0.660 1
1 236 . 2 1 1 A 24 24 SER CB C 24 65.459 66.334 -0.875 1
1 237 . 2 1 1 A 24 24 SER N N 24 114.575 114.036 0.539 1
1 238 . 2 1 1 A 25 25 LEU H H 25 9.272 8.611 0.661 1
1 239 . 2 1 1 A 25 25 LEU HA H 25 4.531 4.782 -0.251 1
1 249 . 2 1 1 A 25 25 LEU C C 25 174.436 173.818 0.618 1
1 250 . 2 1 1 A 25 25 LEU CA C 25 53.929 53.388 0.541 1
1 251 . 2 1 1 A 25 25 LEU CB C 25 45.561 44.240 1.321 1
1 255 . 2 1 1 A 25 25 LEU N N 25 124.288 122.793 1.495 1
1 256 . 2 1 1 A 26 26 GLN H H 26 8.573 8.482 0.091 1
1 257 . 2 1 1 A 26 26 GLN HA H 26 4.607 5.481 -0.874 1
1 262 . 2 1 1 A 26 26 GLN C C 26 173.250 174.514 -1.264 1
1 263 . 2 1 1 A 26 26 GLN CA C 26 54.207 53.922 0.285 1
1 264 . 2 1 1 A 26 26 GLN CB C 26 27.813 31.810 -3.997 1
1 266 . 2 1 1 A 26 26 GLN N N 26 122.971 121.222 1.749 1
1 267 . 2 1 1 A 27 27 LEU H H 27 8.753 8.864 -0.111 1
1 268 . 2 1 1 A 27 27 LEU HA H 27 4.414 5.130 -0.716 1
1 272 . 2 1 1 A 27 27 LEU C C 27 175.313 175.026 0.287 1
1 273 . 2 1 1 A 27 27 LEU CA C 27 53.132 53.357 -0.225 1
1 274 . 2 1 1 A 27 27 LEU CB C 27 40.489 45.713 -5.224 1
1 278 . 2 1 1 A 27 27 LEU N N 27 126.504 122.144 4.360 1
1 279 . 2 1 1 A 28 28 ASP H H 28 8.568 8.818 -0.250 1
1 280 . 2 1 1 A 28 28 ASP HA H 28 4.414 4.931 -0.517 1
1 283 . 2 1 1 A 28 28 ASP C C 28 176.147 175.783 0.364 1
1 284 . 2 1 1 A 28 28 ASP CA C 28 53.407 52.928 0.479 1
1 285 . 2 1 1 A 28 28 ASP CB C 28 40.535 41.387 -0.852 1
1 286 . 2 1 1 A 28 28 ASP N N 28 112.805 122.770 -9.965 1
1 287 . 2 1 1 A 29 29 GLY H H 29 7.770 8.473 -0.703 1
1 288 . 2 1 1 A 29 29 GLY HA2 H 29 3.942 3.914 0.028 1
1 289 . 2 1 1 A 29 29 GLY HA3 H 29 3.806 3.916 -0.110 1
1 290 . 2 1 1 A 29 29 GLY C C 29 174.455 175.050 -0.595 1
1 291 . 2 1 1 A 29 29 GLY CA C 29 47.297 45.997 1.300 1
1 292 . 2 1 1 A 29 29 GLY N N 29 129.863 114.042 15.821 1
1 293 . 2 1 1 A 30 30 VAL H H 30 7.792 7.632 0.160 1
1 294 . 2 1 1 A 30 30 VAL HA H 30 4.391 3.737 0.654 1
1 302 . 2 1 1 A 30 30 VAL C C 30 174.315 175.496 -1.181 1
1 303 . 2 1 1 A 30 30 VAL CA C 30 62.180 65.603 -3.423 1
1 304 . 2 1 1 A 30 30 VAL CB C 30 35.931 29.889 6.042 1
1 307 . 2 1 1 A 30 30 VAL N N 30 112.711 115.032 -2.321 1
1 308 . 2 1 1 A 31 31 VAL H H 31 8.748 8.251 0.497 1
1 309 . 2 1 1 A 31 31 VAL C C 31 172.882 175.685 -2.803 1
1 310 . 2 1 1 A 31 31 VAL CA C 31 62.284 59.176 3.108 1
1 311 . 2 1 1 A 31 31 VAL CB C 31 33.804 31.633 2.171 1
1 312 . 2 1 1 A 31 31 VAL N N 31 123.316 114.876 8.440 1
1 313 . 2 1 1 A 32 32 PRO HA H 32 5.038 4.534 0.504 1
1 320 . 2 1 1 A 32 32 PRO C C 32 179.633 177.487 2.146 1
1 321 . 2 1 1 A 32 32 PRO CA C 32 63.073 63.785 -0.712 1
1 322 . 2 1 1 A 32 32 PRO CB C 32 32.421 32.752 -0.331 1
1 325 . 2 1 1 A 33 33 THR H H 33 8.739 7.850 0.889 1
1 326 . 2 1 1 A 33 33 THR HA H 33 3.896 4.040 -0.144 1
1 331 . 2 1 1 A 33 33 THR C C 33 174.735 176.013 -1.278 1
1 332 . 2 1 1 A 33 33 THR CA C 33 64.329 66.260 -1.931 1
1 333 . 2 1 1 A 33 33 THR CB C 33 67.929 68.166 -0.237 1
1 335 . 2 1 1 A 33 33 THR N N 33 120.858 114.239 6.619 1
1 336 . 2 1 1 A 34 34 GLY H H 34 8.303 8.068 0.235 1
1 337 . 2 1 1 A 34 34 GLY HA2 H 34 4.359 3.864 0.495 1
1 338 . 2 1 1 A 34 34 GLY HA3 H 34 3.451 3.866 -0.415 1
1 339 . 2 1 1 A 34 34 GLY C C 34 174.037 173.261 0.776 1
1 340 . 2 1 1 A 34 34 GLY CA C 34 45.067 46.453 -1.386 1
1 341 . 2 1 1 A 34 34 GLY N N 34 114.645 108.451 6.194 1
1 342 . 2 1 1 A 35 35 THR H H 35 7.405 7.191 0.214 1
1 343 . 2 1 1 A 35 35 THR HA H 35 4.073 4.883 -0.810 1
1 348 . 2 1 1 A 35 35 THR C C 35 174.540 173.799 0.741 1
1 349 . 2 1 1 A 35 35 THR CA C 35 65.137 61.148 3.989 1
1 350 . 2 1 1 A 35 35 THR CB C 35 69.484 72.659 -3.175 1
1 352 . 2 1 1 A 35 35 THR N N 35 117.340 113.509 3.831 1
1 353 . 2 1 1 A 36 36 ASN H H 36 8.836 8.396 0.440 1
1 354 . 2 1 1 A 36 36 ASN HA H 36 5.686 5.108 0.578 1
1 357 . 2 1 1 A 36 36 ASN C C 36 176.512 175.896 0.616 1
1 358 . 2 1 1 A 36 36 ASN CA C 36 50.439 50.728 -0.289 1
1 359 . 2 1 1 A 36 36 ASN CB C 36 40.274 40.185 0.089 1
1 360 . 2 1 1 A 36 36 ASN N N 36 127.379 122.481 4.898 1
1 361 . 2 1 1 A 37 37 LEU H H 37 8.045 8.799 -0.754 1
1 362 . 2 1 1 A 37 37 LEU HA H 37 4.142 4.096 0.046 1
1 372 . 2 1 1 A 37 37 LEU C C 37 178.931 178.103 0.828 1
1 373 . 2 1 1 A 37 37 LEU CA C 37 59.274 58.435 0.839 1
1 374 . 2 1 1 A 37 37 LEU CB C 37 42.159 41.318 0.841 1
1 378 . 2 1 1 A 37 37 LEU N N 37 119.164 120.139 -0.975 1
1 379 . 2 1 1 A 38 38 ASN H H 38 7.959 8.244 -0.285 1
1 380 . 2 1 1 A 38 38 ASN HA H 38 4.502 4.399 0.103 1
1 383 . 2 1 1 A 38 38 ASN C C 38 178.691 178.173 0.518 1
1 384 . 2 1 1 A 38 38 ASN CA C 38 57.080 56.514 0.566 1
1 385 . 2 1 1 A 38 38 ASN CB C 38 38.367 38.858 -0.491 1
1 386 . 2 1 1 A 38 38 ASN N N 38 118.522 117.063 1.459 1
1 387 . 2 1 1 A 39 39 GLY H H 39 8.828 8.245 0.583 1
1 388 . 2 1 1 A 39 39 GLY HA2 H 39 4.088 3.697 0.391 1
1 389 . 2 1 1 A 39 39 GLY HA3 H 39 3.911 3.698 0.213 1
1 390 . 2 1 1 A 39 39 GLY C C 39 177.320 175.629 1.691 1
1 391 . 2 1 1 A 39 39 GLY CA C 39 46.879 47.150 -0.271 1
1 392 . 2 1 1 A 39 39 GLY N N 39 109.615 106.998 2.617 1
1 393 . 2 1 1 A 40 40 LEU H H 40 8.829 8.337 0.492 1
1 394 . 2 1 1 A 40 40 LEU HA H 40 4.504 4.090 0.414 1
1 404 . 2 1 1 A 40 40 LEU C C 40 177.788 178.648 -0.860 1
1 405 . 2 1 1 A 40 40 LEU CA C 40 57.770 57.526 0.244 1
1 406 . 2 1 1 A 40 40 LEU CB C 40 41.713 41.561 0.152 1
1 410 . 2 1 1 A 40 40 LEU N N 40 125.884 123.154 2.730 1
1 411 . 2 1 1 A 41 41 VAL H H 41 8.333 8.109 0.224 1
1 412 . 2 1 1 A 41 41 VAL HA H 41 3.328 3.857 -0.529 1
1 420 . 2 1 1 A 41 41 VAL C C 41 177.556 177.729 -0.173 1
1 421 . 2 1 1 A 41 41 VAL CA C 41 67.977 65.409 2.568 1
1 422 . 2 1 1 A 41 41 VAL CB C 41 31.080 31.142 -0.062 1
1 425 . 2 1 1 A 41 41 VAL N N 41 120.213 116.594 3.619 1
1 426 . 2 1 1 A 42 42 GLN H H 42 7.672 7.936 -0.264 1
1 427 . 2 1 1 A 42 42 GLN HA H 42 3.866 4.018 -0.152 1
1 432 . 2 1 1 A 42 42 GLN C C 42 177.980 177.980 0.000 1
1 433 . 2 1 1 A 42 42 GLN CA C 42 58.694 58.804 -0.110 1
1 434 . 2 1 1 A 42 42 GLN CB C 42 27.809 28.926 -1.117 1
1 436 . 2 1 1 A 42 42 GLN N N 42 116.386 122.169 -5.783 1
1 437 . 2 1 1 A 43 43 LEU H H 43 8.080 7.723 0.357 1
1 438 . 2 1 1 A 43 43 LEU HA H 43 4.225 4.157 0.068 1
1 448 . 2 1 1 A 43 43 LEU C C 43 179.999 178.395 1.604 1
1 449 . 2 1 1 A 43 43 LEU CA C 43 58.275 57.026 1.249 1
1 450 . 2 1 1 A 43 43 LEU CB C 43 43.046 42.067 0.979 1
1 454 . 2 1 1 A 43 43 LEU N N 43 122.204 120.753 1.451 1
1 455 . 2 1 1 A 44 44 LEU H H 44 8.810 7.816 0.994 1
1 456 . 2 1 1 A 44 44 LEU HA H 44 4.384 4.221 0.163 1
1 466 . 2 1 1 A 44 44 LEU C C 44 179.311 179.093 0.218 1
1 467 . 2 1 1 A 44 44 LEU CA C 44 58.397 57.359 1.038 1
1 468 . 2 1 1 A 44 44 LEU CB C 44 41.553 42.163 -0.610 1
1 472 . 2 1 1 A 44 44 LEU N N 44 119.371 118.469 0.902 1
1 473 . 2 1 1 A 45 45 LYS H H 45 8.652 8.553 0.099 1
1 474 . 2 1 1 A 45 45 LYS HA H 45 3.678 4.129 -0.451 1
1 483 . 2 1 1 A 45 45 LYS C C 45 177.005 179.112 -2.107 1
1 484 . 2 1 1 A 45 45 LYS CA C 45 60.016 58.966 1.050 1
1 485 . 2 1 1 A 45 45 LYS CB C 45 32.411 32.246 0.165 1
1 489 . 2 1 1 A 45 45 LYS N N 45 120.434 120.304 0.130 1
1 490 . 2 1 1 A 46 46 THR H H 46 8.180 8.365 -0.185 1
1 491 . 2 1 1 A 46 46 THR HA H 46 4.027 4.000 0.027 1
1 496 . 2 1 1 A 46 46 THR C C 46 176.217 176.399 -0.182 1
1 497 . 2 1 1 A 46 46 THR CA C 46 65.173 65.971 -0.798 1
1 498 . 2 1 1 A 46 46 THR CB C 46 69.680 68.381 1.299 1
1 500 . 2 1 1 A 46 46 THR N N 46 109.149 116.101 -6.952 1
1 501 . 2 1 1 A 47 47 ASN H H 47 8.170 8.448 -0.278 1
1 502 . 2 1 1 A 47 47 ASN HA H 47 4.785 4.592 0.193 1
1 505 . 2 1 1 A 47 47 ASN C C 47 175.267 175.972 -0.705 1
1 506 . 2 1 1 A 47 47 ASN CA C 47 54.213 56.096 -1.883 1
1 507 . 2 1 1 A 47 47 ASN CB C 47 40.712 38.887 1.825 1
1 508 . 2 1 1 A 47 47 ASN N N 47 116.045 119.726 -3.681 1
1 509 . 2 1 1 A 48 48 TYR H H 48 8.094 7.609 0.485 1
1 510 . 2 1 1 A 48 48 TYR HA H 48 4.695 4.858 -0.163 1
1 513 . 2 1 1 A 48 48 TYR C C 48 175.011 175.816 -0.805 1
1 514 . 2 1 1 A 48 48 TYR CA C 48 60.273 59.415 0.858 1
1 515 . 2 1 1 A 48 48 TYR CB C 48 41.189 39.967 1.222 1
1 516 . 2 1 1 A 48 48 TYR N N 48 115.849 119.500 -3.651 1
1 517 . 2 1 1 A 49 49 VAL H H 49 7.769 8.300 -0.531 1
1 518 . 2 1 1 A 49 49 VAL HA H 49 3.715 3.986 -0.271 1
1 526 . 2 1 1 A 49 49 VAL C C 49 176.157 175.864 0.293 1
1 527 . 2 1 1 A 49 49 VAL CA C 49 63.454 63.077 0.377 1
1 528 . 2 1 1 A 49 49 VAL CB C 49 31.695 30.104 1.591 1
1 531 . 2 1 1 A 49 49 VAL N N 49 120.510 119.562 0.948 1
1 532 . 2 1 1 A 50 50 LYS H H 50 8.334 7.886 0.448 1
1 533 . 2 1 1 A 50 50 LYS HA H 50 4.242 3.661 0.581 1
1 542 . 2 1 1 A 50 50 LYS C C 50 176.562 177.054 -0.492 1
1 543 . 2 1 1 A 50 50 LYS CA C 50 55.979 59.969 -3.990 1
1 544 . 2 1 1 A 50 50 LYS CB C 50 32.822 32.107 0.715 1
1 548 . 2 1 1 A 50 50 LYS N N 50 125.933 128.275 -2.342 1
1 549 . 2 1 1 A 51 51 GLU H H 51 7.598 7.566 0.032 1
1 550 . 2 1 1 A 51 51 GLU HA H 51 4.328 4.399 -0.071 1
1 553 . 2 1 1 A 51 51 GLU C C 51 172.975 175.465 -2.490 1
1 554 . 2 1 1 A 51 51 GLU CA C 51 55.074 54.713 0.361 1
1 555 . 2 1 1 A 51 51 GLU CB C 51 32.633 31.535 1.098 1
1 557 . 2 1 1 A 51 51 GLU N N 51 117.804 118.621 -0.817 1
1 558 . 2 1 1 A 52 52 ARG H H 52 8.383 8.485 -0.102 1
1 559 . 2 1 1 A 52 52 ARG CA C 52 53.279 54.630 -1.351 1
1 560 . 2 1 1 A 52 52 ARG CB C 52 26.615 29.906 -3.291 1
1 561 . 2 1 1 A 52 52 ARG N N 52 111.793 121.483 -9.690 1
1 562 . 2 1 1 A 53 53 PRO HA H 53 4.029 4.516 -0.487 1
1 569 . 2 1 1 A 53 53 PRO C C 53 177.018 177.279 -0.261 1
1 570 . 2 1 1 A 53 53 PRO CA C 53 65.474 64.395 1.079 1
1 571 . 2 1 1 A 53 53 PRO CB C 53 30.916 32.023 -1.107 1
1 574 . 2 1 1 A 53 53 PRO N N 53 111.793 138.798 -27.005 1
1 575 . 2 1 1 A 54 54 ASP H H 54 8.462 8.279 0.183 1
1 576 . 2 1 1 A 54 54 ASP HA H 54 4.345 4.789 -0.444 1
1 579 . 2 1 1 A 54 54 ASP C C 54 176.493 177.413 -0.920 1
1 580 . 2 1 1 A 54 54 ASP CA C 54 54.982 53.771 1.211 1
1 581 . 2 1 1 A 54 54 ASP CB C 54 39.451 40.837 -1.386 1
1 582 . 2 1 1 A 54 54 ASP N N 54 113.848 118.031 -4.183 1
1 583 . 2 1 1 A 55 55 LEU H H 55 7.766 7.922 -0.156 1
1 584 . 2 1 1 A 55 55 LEU HA H 55 4.235 3.994 0.241 1
1 594 . 2 1 1 A 55 55 LEU C C 55 175.873 178.563 -2.690 1
1 595 . 2 1 1 A 55 55 LEU CA C 55 55.305 57.514 -2.209 1
1 596 . 2 1 1 A 55 55 LEU CB C 55 41.271 41.425 -0.154 1
1 600 . 2 1 1 A 55 55 LEU N N 55 117.721 118.482 -0.761 1
1 601 . 2 1 1 A 56 56 LEU H H 56 7.630 7.716 -0.086 1
1 602 . 2 1 1 A 56 56 LEU HA H 56 4.552 4.388 0.164 1
1 612 . 2 1 1 A 56 56 LEU C C 56 175.341 177.058 -1.717 1
1 613 . 2 1 1 A 56 56 LEU CA C 56 55.516 56.370 -0.854 1
1 614 . 2 1 1 A 56 56 LEU CB C 56 44.910 42.645 2.265 1
1 618 . 2 1 1 A 56 56 LEU N N 56 118.796 116.333 2.463 1
1 619 . 2 1 1 A 57 57 VAL H H 57 7.206 7.377 -0.171 1
1 620 . 2 1 1 A 57 57 VAL HA H 57 5.048 4.030 1.018 1
1 628 . 2 1 1 A 57 57 VAL C C 57 175.020 175.929 -0.909 1
1 629 . 2 1 1 A 57 57 VAL CA C 57 58.550 62.047 -3.497 1
1 630 . 2 1 1 A 57 57 VAL CB C 57 35.049 32.728 2.321 1
1 633 . 2 1 1 A 57 57 VAL N N 57 106.872 119.682 -12.810 1
1 634 . 2 1 1 A 58 58 ASP H H 58 8.447 9.442 -0.995 1
1 635 . 2 1 1 A 58 58 ASP HA H 58 4.459 4.313 0.146 1
1 638 . 2 1 1 A 58 58 ASP C C 58 177.406 177.323 0.083 1
1 639 . 2 1 1 A 58 58 ASP CA C 58 53.130 57.215 -4.085 1
1 640 . 2 1 1 A 58 58 ASP CB C 58 40.985 41.236 -0.251 1
1 641 . 2 1 1 A 58 58 ASP N N 58 118.741 123.948 -5.207 1
1 642 . 2 1 1 A 59 59 GLN H H 59 8.883 8.088 0.795 1
1 643 . 2 1 1 A 59 59 GLN HA H 59 4.031 4.492 -0.461 1
1 648 . 2 1 1 A 59 59 GLN C C 59 177.499 176.798 0.701 1
1 649 . 2 1 1 A 59 59 GLN CA C 59 59.120 56.973 2.147 1
1 650 . 2 1 1 A 59 59 GLN CB C 59 28.389 31.436 -3.047 1
1 652 . 2 1 1 A 59 59 GLN N N 59 119.603 115.553 4.050 1
1 653 . 2 1 1 A 60 60 THR H H 60 8.060 8.093 -0.033 1
1 654 . 2 1 1 A 60 60 THR HA H 60 4.296 4.434 -0.138 1
1 659 . 2 1 1 A 60 60 THR C C 60 176.363 175.203 1.160 1
1 660 . 2 1 1 A 60 60 THR CA C 60 63.358 61.977 1.381 1
1 661 . 2 1 1 A 60 60 THR CB C 60 70.577 69.180 1.397 1
1 663 . 2 1 1 A 60 60 THR N N 60 109.323 108.379 0.944 1
1 664 . 2 1 1 A 61 61 GLY H H 61 8.001 8.008 -0.007 1
1 665 . 2 1 1 A 61 61 GLY HA2 H 61 4.173 3.895 0.278 1
1 666 . 2 1 1 A 61 61 GLY HA3 H 61 3.610 3.895 -0.285 1
1 667 . 2 1 1 A 61 61 GLY C C 61 174.049 174.348 -0.299 1
1 668 . 2 1 1 A 61 61 GLY CA C 61 45.301 46.583 -1.282 1
1 669 . 2 1 1 A 61 61 GLY N N 61 109.323 110.641 -1.318 1
1 670 . 2 1 1 A 62 62 GLN H H 62 8.091 7.901 0.190 1
1 671 . 2 1 1 A 62 62 GLN HA H 62 4.172 5.044 -0.872 1
1 674 . 2 1 1 A 62 62 GLN C C 62 175.201 174.947 0.254 1
1 675 . 2 1 1 A 62 62 GLN CA C 62 56.474 57.053 -0.579 1
1 676 . 2 1 1 A 62 62 GLN CB C 62 30.618 31.280 -0.662 1
1 678 . 2 1 1 A 62 62 GLN N N 62 117.247 119.562 -2.315 1
1 679 . 2 1 1 A 63 63 THR H H 63 7.740 7.963 -0.223 1
1 680 . 2 1 1 A 63 63 THR HA H 63 4.624 4.765 -0.141 1
1 685 . 2 1 1 A 63 63 THR C C 63 172.622 173.824 -1.202 1
1 686 . 2 1 1 A 63 63 THR CA C 63 59.718 60.171 -0.453 1
1 687 . 2 1 1 A 63 63 THR CB C 63 70.832 71.312 -0.480 1
1 689 . 2 1 1 A 63 63 THR N N 63 113.860 112.554 1.306 1
1 690 . 2 1 1 A 64 64 LEU H H 64 8.364 8.687 -0.323 1
1 691 . 2 1 1 A 64 64 LEU HA H 64 4.324 4.236 0.088 1
1 701 . 2 1 1 A 64 64 LEU C C 64 176.311 177.612 -1.301 1
1 702 . 2 1 1 A 64 64 LEU CA C 64 55.025 55.511 -0.486 1
1 703 . 2 1 1 A 64 64 LEU CB C 64 43.871 42.338 1.533 1
1 707 . 2 1 1 A 64 64 LEU N N 64 123.689 126.909 -3.220 1
1 708 . 2 1 1 A 65 65 ARG H H 65 8.192 9.162 -0.970 1
1 709 . 2 1 1 A 65 65 ARG C C 65 173.609 175.252 -1.643 1
1 710 . 2 1 1 A 65 65 ARG CA C 65 55.287 54.806 0.481 1
1 711 . 2 1 1 A 65 65 ARG CB C 65 29.681 30.534 -0.853 1
1 712 . 2 1 1 A 65 65 ARG N N 65 126.639 121.824 4.815 1
1 713 . 2 1 1 A 66 66 PRO HA H 66 4.390 4.242 0.148 1
1 720 . 2 1 1 A 66 66 PRO C C 66 177.030 177.343 -0.313 1
1 721 . 2 1 1 A 66 66 PRO CA C 66 63.719 63.617 0.102 1
1 722 . 2 1 1 A 66 66 PRO CB C 66 31.825 31.398 0.427 1
1 725 . 2 1 1 A 66 66 PRO N N 66 126.639 137.217 -10.578 1
1 726 . 2 1 1 A 67 67 GLY H H 67 8.744 8.953 -0.209 1
1 727 . 2 1 1 A 67 67 GLY HA2 H 67 4.232 3.939 0.293 1
1 728 . 2 1 1 A 67 67 GLY HA3 H 67 3.544 3.956 -0.412 1
1 729 . 2 1 1 A 67 67 GLY C C 67 174.319 174.713 -0.394 1
1 730 . 2 1 1 A 67 67 GLY CA C 67 44.818 45.430 -0.612 1
1 731 . 2 1 1 A 68 68 ILE H H 68 7.522 7.363 0.159 1
1 732 . 2 1 1 A 68 68 ILE HA H 68 4.690 4.585 0.105 1
1 742 . 2 1 1 A 68 68 ILE C C 68 174.703 174.970 -0.267 1
1 743 . 2 1 1 A 68 68 ILE CA C 68 61.047 60.929 0.118 1
1 744 . 2 1 1 A 68 68 ILE CB C 68 38.090 38.585 -0.495 1
1 748 . 2 1 1 A 68 68 ILE N N 68 121.049 121.489 -0.440 1
1 749 . 2 1 1 A 69 69 LEU H H 69 9.207 8.798 0.409 1
1 750 . 2 1 1 A 69 69 LEU HA H 69 4.449 4.946 -0.497 1
1 760 . 2 1 1 A 69 69 LEU C C 69 174.991 175.789 -0.798 1
1 761 . 2 1 1 A 69 69 LEU CA C 69 54.106 53.760 0.346 1
1 762 . 2 1 1 A 69 69 LEU CB C 69 43.588 43.772 -0.184 1
1 766 . 2 1 1 A 69 69 LEU N N 69 131.197 125.446 5.751 1
1 767 . 2 1 1 A 70 70 VAL H H 70 8.149 8.604 -0.455 1
1 768 . 2 1 1 A 70 70 VAL HA H 70 4.955 4.575 0.380 1
1 776 . 2 1 1 A 70 70 VAL C C 70 175.167 175.494 -0.327 1
1 777 . 2 1 1 A 70 70 VAL CA C 70 59.928 61.518 -1.590 1
1 778 . 2 1 1 A 70 70 VAL CB C 70 33.239 32.338 0.901 1
1 781 . 2 1 1 A 70 70 VAL N N 70 121.953 124.225 -2.272 1
1 782 . 2 1 1 A 71 71 LEU H H 71 8.881 8.219 0.662 1
1 783 . 2 1 1 A 71 71 LEU HA H 71 4.922 5.384 -0.462 1
1 793 . 2 1 1 A 71 71 LEU C C 71 176.487 175.492 0.995 1
1 794 . 2 1 1 A 71 71 LEU CA C 71 52.627 53.328 -0.701 1
1 795 . 2 1 1 A 71 71 LEU CB C 71 44.487 45.229 -0.742 1
1 799 . 2 1 1 A 71 71 LEU N N 71 126.071 127.356 -1.285 1
1 800 . 2 1 1 A 72 72 VAL H H 72 9.048 9.145 -0.097 1
1 801 . 2 1 1 A 72 72 VAL HA H 72 4.351 4.715 -0.364 1
1 809 . 2 1 1 A 72 72 VAL C C 72 176.078 175.799 0.279 1
1 810 . 2 1 1 A 72 72 VAL CA C 72 60.886 60.975 -0.089 1
1 811 . 2 1 1 A 72 72 VAL CB C 72 33.141 32.115 1.026 1
1 814 . 2 1 1 A 72 72 VAL N N 72 120.969 124.604 -3.635 1
1 815 . 2 1 1 A 73 73 ASN H H 73 9.630 9.428 0.202 1
1 816 . 2 1 1 A 73 73 ASN HA H 73 4.335 4.345 -0.010 1
1 821 . 2 1 1 A 73 73 ASN C C 73 175.496 175.272 0.224 1
1 822 . 2 1 1 A 73 73 ASN CA C 73 54.736 54.605 0.131 1
1 823 . 2 1 1 A 73 73 ASN CB C 73 36.825 36.822 0.003 1
1 824 . 2 1 1 A 73 73 ASN N N 73 129.082 127.290 1.792 1
1 825 . 2 1 1 A 74 74 SER H H 74 9.308 8.059 1.249 1
1 826 . 2 1 1 A 74 74 SER C C 74 172.584 173.127 -0.543 1
1 827 . 2 1 1 A 74 74 SER N N 74 106.084 110.579 -4.495 1
1 828 . 2 1 1 A 75 75 CYS H H 75 7.845 7.629 0.216 1
1 829 . 2 1 1 A 75 75 CYS C C 75 176.045 172.877 3.168 1
1 830 . 2 1 1 A 75 75 CYS CA C 75 57.152 58.333 -1.181 1
1 831 . 2 1 1 A 75 75 CYS CB C 75 29.101 31.257 -2.156 1
1 832 . 2 1 1 A 75 75 CYS N N 75 120.460 119.213 1.247 1
1 833 . 2 1 1 A 76 76 ASP H H 76 8.766 8.591 0.175 1
1 834 . 2 1 1 A 76 76 ASP HA H 76 4.295 4.541 -0.246 1
1 837 . 2 1 1 A 76 76 ASP C C 76 177.713 177.720 -0.007 1
1 838 . 2 1 1 A 76 76 ASP CA C 76 55.721 54.887 0.834 1
1 839 . 2 1 1 A 76 76 ASP CB C 76 41.513 40.955 0.558 1
1 840 . 2 1 1 A 76 76 ASP N N 76 126.661 125.261 1.400 1
1 841 . 2 1 1 A 77 77 ALA H H 77 8.555 8.889 -0.334 1
1 842 . 2 1 1 A 77 77 ALA HA H 77 3.688 4.121 -0.433 1
1 846 . 2 1 1 A 77 77 ALA C C 77 180.149 179.104 1.045 1
1 847 . 2 1 1 A 77 77 ALA CA C 77 54.334 54.431 -0.097 1
1 848 . 2 1 1 A 77 77 ALA CB C 77 18.453 18.430 0.023 1
1 849 . 2 1 1 A 77 77 ALA N N 77 128.302 126.709 1.593 1
1 850 . 2 1 1 A 78 78 GLU H H 78 9.034 7.988 1.046 1
1 851 . 2 1 1 A 78 78 GLU HA H 78 3.763 4.117 -0.354 1
1 856 . 2 1 1 A 78 78 GLU C C 78 179.359 179.311 0.048 1
1 857 . 2 1 1 A 78 78 GLU CA C 78 59.569 58.938 0.631 1
1 858 . 2 1 1 A 78 78 GLU CB C 78 29.511 29.292 0.219 1
1 860 . 2 1 1 A 78 78 GLU N N 78 117.499 118.504 -1.005 1
1 861 . 2 1 1 A 79 79 VAL H H 79 7.753 7.838 -0.085 1
1 862 . 2 1 1 A 79 79 VAL HA H 79 3.927 3.792 0.135 1
1 870 . 2 1 1 A 79 79 VAL C C 79 177.408 177.111 0.297 1
1 871 . 2 1 1 A 79 79 VAL CA C 79 64.439 65.557 -1.118 1
1 872 . 2 1 1 A 79 79 VAL CB C 79 31.904 31.916 -0.012 1
1 875 . 2 1 1 A 79 79 VAL N N 79 115.536 120.866 -5.330 1
1 876 . 2 1 1 A 80 80 VAL H H 80 7.123 7.488 -0.365 1
1 877 . 2 1 1 A 80 80 VAL HA H 80 4.443 4.234 0.209 1
1 885 . 2 1 1 A 80 80 VAL C C 80 175.020 177.285 -2.265 1
1 886 . 2 1 1 A 80 80 VAL CA C 80 60.286 62.595 -2.309 1
1 887 . 2 1 1 A 80 80 VAL CB C 80 30.948 33.204 -2.256 1
1 890 . 2 1 1 A 80 80 VAL N N 80 109.738 115.850 -6.112 1
1 891 . 2 1 1 A 81 81 GLY H H 81 7.210 7.796 -0.586 1
1 892 . 2 1 1 A 81 81 GLY HA2 H 81 4.511 4.108 0.403 1
1 893 . 2 1 1 A 81 81 GLY HA3 H 81 3.664 4.129 -0.465 1
1 894 . 2 1 1 A 81 81 GLY C C 81 175.262 175.887 -0.625 1
1 895 . 2 1 1 A 81 81 GLY CA C 81 44.964 45.847 -0.883 1
1 896 . 2 1 1 A 81 81 GLY N N 81 106.697 109.519 -2.822 1
1 897 . 2 1 1 A 82 82 GLY H H 82 8.673 8.482 0.191 1
1 898 . 2 1 1 A 82 82 GLY HA2 H 82 4.022 4.037 -0.015 1
1 899 . 2 1 1 A 82 82 GLY HA3 H 82 3.150 4.038 -0.888 1
1 900 . 2 1 1 A 82 82 GLY C C 82 174.547 173.972 0.575 1
1 901 . 2 1 1 A 82 82 GLY CA C 82 45.151 45.707 -0.556 1
1 902 . 2 1 1 A 82 82 GLY N N 82 111.931 108.609 3.322 1
1 903 . 2 1 1 A 83 83 MET H H 83 8.841 7.977 0.864 1
1 904 . 2 1 1 A 83 83 MET HA H 83 4.582 4.815 -0.233 1
1 909 . 2 1 1 A 83 83 MET C C 83 176.001 175.227 0.774 1
1 910 . 2 1 1 A 83 83 MET CA C 83 55.737 54.219 1.518 1
1 911 . 2 1 1 A 83 83 MET CB C 83 30.273 33.173 -2.900 1
1 913 . 2 1 1 A 83 83 MET N N 83 119.840 116.238 3.602 1
1 914 . 2 1 1 A 84 84 ASP H H 84 7.395 8.173 -0.778 1
1 915 . 2 1 1 A 84 84 ASP HA H 84 4.695 4.956 -0.261 1
1 918 . 2 1 1 A 84 84 ASP C C 84 176.694 174.813 1.881 1
1 919 . 2 1 1 A 84 84 ASP CA C 84 54.300 53.056 1.244 1
1 920 . 2 1 1 A 84 84 ASP CB C 84 41.551 41.750 -0.199 1
1 921 . 2 1 1 A 84 84 ASP N N 84 114.478 121.068 -6.590 1
1 922 . 2 1 1 A 85 85 TYR H H 85 7.930 8.008 -0.078 1
1 923 . 2 1 1 A 85 85 TYR HA H 85 4.148 4.685 -0.537 1
1 926 . 2 1 1 A 85 85 TYR C C 85 173.845 174.956 -1.111 1
1 927 . 2 1 1 A 85 85 TYR CA C 85 59.520 57.445 2.075 1
1 928 . 2 1 1 A 85 85 TYR CB C 85 38.105 38.926 -0.821 1
1 929 . 2 1 1 A 85 85 TYR N N 85 123.769 122.056 1.713 1
1 930 . 2 1 1 A 86 86 VAL H H 86 7.755 8.213 -0.458 1
1 931 . 2 1 1 A 86 86 VAL HA H 86 3.402 4.378 -0.976 1
1 939 . 2 1 1 A 86 86 VAL C C 86 173.896 175.913 -2.017 1
1 940 . 2 1 1 A 86 86 VAL CA C 86 62.779 61.872 0.907 1
1 941 . 2 1 1 A 86 86 VAL CB C 86 31.843 32.687 -0.844 1
1 944 . 2 1 1 A 86 86 VAL N N 86 130.130 124.430 5.700 1
1 945 . 2 1 1 A 87 87 LEU H H 87 7.069 8.796 -1.727 1
1 946 . 2 1 1 A 87 87 LEU HA H 87 3.833 4.789 -0.956 1
1 956 . 2 1 1 A 87 87 LEU C C 87 176.432 176.685 -0.253 1
1 957 . 2 1 1 A 87 87 LEU CA C 87 55.977 54.200 1.777 1
1 958 . 2 1 1 A 87 87 LEU CB C 87 42.126 43.410 -1.284 1
1 962 . 2 1 1 A 87 87 LEU N N 87 121.577 126.933 -5.356 1
1 963 . 2 1 1 A 88 88 ASN H H 88 8.705 8.824 -0.119 1
1 964 . 2 1 1 A 88 88 ASN HA H 88 4.717 5.052 -0.335 1
1 967 . 2 1 1 A 88 88 ASN C C 88 173.156 174.711 -1.555 1
1 968 . 2 1 1 A 88 88 ASN CA C 88 51.471 52.100 -0.629 1
1 969 . 2 1 1 A 88 88 ASN CB C 88 41.622 39.494 2.128 1
1 970 . 2 1 1 A 88 88 ASN N N 88 120.561 119.947 0.614 1
1 971 . 2 1 1 A 89 89 ASP H H 89 8.482 8.219 0.263 1
1 972 . 2 1 1 A 89 89 ASP HA H 89 3.937 4.284 -0.347 1
1 975 . 2 1 1 A 89 89 ASP C C 89 178.751 176.655 2.096 1
1 976 . 2 1 1 A 89 89 ASP CA C 89 56.268 55.168 1.100 1
1 977 . 2 1 1 A 89 89 ASP CB C 89 40.380 40.338 0.042 1
1 978 . 2 1 1 A 89 89 ASP N N 89 122.084 120.149 1.935 1
1 979 . 2 1 1 A 90 90 GLY H H 90 9.334 7.905 1.429 1
1 980 . 2 1 1 A 90 90 GLY HA2 H 90 4.314 4.146 0.168 1
1 981 . 2 1 1 A 90 90 GLY HA3 H 90 3.619 4.153 -0.534 1
1 982 . 2 1 1 A 90 90 GLY C C 90 174.907 173.400 1.507 1
1 983 . 2 1 1 A 90 90 GLY CA C 90 45.076 45.663 -0.587 1
1 984 . 2 1 1 A 90 90 GLY N N 90 117.218 105.059 12.159 1
1 985 . 2 1 1 A 91 91 ASP H H 91 7.987 8.049 -0.062 1
1 986 . 2 1 1 A 91 91 ASP HA H 91 4.745 5.140 -0.395 1
1 989 . 2 1 1 A 91 91 ASP C C 91 175.436 174.666 0.770 1
1 990 . 2 1 1 A 91 91 ASP CA C 91 55.954 52.494 3.460 1
1 991 . 2 1 1 A 91 91 ASP CB C 91 41.876 43.533 -1.657 1
1 992 . 2 1 1 A 91 91 ASP N N 91 122.336 121.463 0.873 1
1 993 . 2 1 1 A 92 92 THR H H 92 8.227 8.552 -0.325 1
1 994 . 2 1 1 A 92 92 THR HA H 92 5.093 5.040 0.053 1
1 999 . 2 1 1 A 92 92 THR C C 92 173.702 172.897 0.805 1
1 1000 . 2 1 1 A 92 92 THR CA C 92 61.477 61.795 -0.318 1
1 1001 . 2 1 1 A 92 92 THR CB C 92 70.032 71.273 -1.241 1
1 1003 . 2 1 1 A 92 92 THR N N 92 115.456 116.311 -0.855 1
1 1004 . 2 1 1 A 93 93 VAL H H 93 9.039 9.066 -0.027 1
1 1005 . 2 1 1 A 93 93 VAL HA H 93 4.731 4.908 -0.177 1
1 1013 . 2 1 1 A 93 93 VAL C C 93 173.391 172.950 0.441 1
1 1014 . 2 1 1 A 93 93 VAL CA C 93 59.984 59.916 0.068 1
1 1015 . 2 1 1 A 93 93 VAL CB C 93 33.978 35.105 -1.127 1
1 1018 . 2 1 1 A 93 93 VAL N N 93 129.109 124.708 4.401 1
1 1019 . 2 1 1 A 94 94 GLU H H 94 9.012 8.221 0.791 1
1 1020 . 2 1 1 A 94 94 GLU HA H 94 4.941 4.830 0.111 1
1 1025 . 2 1 1 A 94 94 GLU C C 94 173.669 174.759 -1.090 1
1 1026 . 2 1 1 A 94 94 GLU CA C 94 53.577 54.407 -0.830 1
1 1027 . 2 1 1 A 94 94 GLU CB C 94 32.853 33.695 -0.842 1
1 1029 . 2 1 1 A 94 94 GLU N N 94 126.881 126.831 0.050 1
1 1030 . 2 1 1 A 95 95 PHE H H 95 9.012 8.707 0.305 1
1 1031 . 2 1 1 A 95 95 PHE HA H 95 4.941 5.262 -0.321 1
1 1034 . 2 1 1 A 95 95 PHE C C 95 174.687 174.669 0.018 1
1 1035 . 2 1 1 A 95 95 PHE CA C 95 56.843 56.444 0.399 1
1 1036 . 2 1 1 A 95 95 PHE CB C 95 40.889 40.019 0.870 1
1 1037 . 2 1 1 A 95 95 PHE N N 95 122.718 120.942 1.776 1
1 1038 . 2 1 1 A 96 96 ILE H H 96 9.292 9.273 0.019 1
1 1039 . 2 1 1 A 96 96 ILE HA H 96 4.573 4.919 -0.346 1
1 1049 . 2 1 1 A 96 96 ILE C C 96 175.897 175.130 0.767 1
1 1050 . 2 1 1 A 96 96 ILE CA C 96 59.748 60.551 -0.803 1
1 1051 . 2 1 1 A 96 96 ILE CB C 96 40.938 38.395 2.543 1
1 1055 . 2 1 1 A 96 96 ILE N N 96 123.112 125.763 -2.651 1
1 1056 . 2 1 1 A 97 97 SER H H 97 8.245 8.800 -0.555 1
1 1057 . 2 1 1 A 97 97 SER HA H 97 4.800 4.503 0.297 1
1 1060 . 2 1 1 A 97 97 SER C C 97 175.130 174.994 0.136 1
1 1061 . 2 1 1 A 97 97 SER CA C 97 58.154 58.939 -0.785 1
1 1062 . 2 1 1 A 97 97 SER CB C 97 63.137 63.207 -0.070 1
1 1063 . 2 1 1 A 97 97 SER N N 97 121.343 125.969 -4.626 1
1 1064 . 2 1 1 A 98 98 THR H H 98 8.181 9.149 -0.968 1
1 1065 . 2 1 1 A 98 98 THR HA H 98 4.549 4.513 0.036 1
1 1070 . 2 1 1 A 98 98 THR C C 98 174.729 174.496 0.233 1
1 1071 . 2 1 1 A 98 98 THR CA C 98 61.603 62.961 -1.358 1
1 1072 . 2 1 1 A 98 98 THR CB C 98 69.890 69.875 0.015 1
1 1074 . 2 1 1 A 98 98 THR N N 98 116.451 117.138 -0.687 1
1 1075 . 2 1 1 A 99 99 LEU H H 99 8.033 7.735 0.298 1
1 1076 . 2 1 1 A 99 99 LEU HA H 99 4.234 4.370 -0.136 1
1 1086 . 2 1 1 A 99 99 LEU C C 99 177.349 175.895 1.454 1
1 1087 . 2 1 1 A 99 99 LEU CA C 99 55.517 55.715 -0.198 1
1 1088 . 2 1 1 A 99 99 LEU CB C 99 41.996 42.932 -0.936 1
1 1092 . 2 1 1 A 99 99 LEU N N 99 122.869 123.353 -0.484 1
1 1093 . 2 1 1 A 100 100 HIS H H 100 8.558 9.087 -0.529 1
1 1094 . 2 1 1 A 100 100 HIS HA H 100 4.460 4.774 -0.314 1
1 1097 . 2 1 1 A 100 100 HIS C C 100 175.718 175.109 0.609 1
1 1098 . 2 1 1 A 100 100 HIS CA C 100 56.096 55.362 0.734 1
1 1099 . 2 1 1 A 100 100 HIS CB C 100 29.709 31.665 -1.956 1
1 1100 . 2 1 1 A 100 100 HIS N N 100 120.437 125.876 -5.439 1
1 1101 . 2 1 1 A 101 101 GLY H H 101 8.477 8.844 -0.367 1
1 1102 . 2 1 1 A 101 101 GLY HA2 H 101 3.888 3.922 -0.034 1
1 1103 . 2 1 1 A 101 101 GLY HA3 H 101 3.888 3.973 -0.085 1
1 1104 . 2 1 1 A 101 101 GLY C C 101 174.614 173.950 0.664 1
1 1105 . 2 1 1 A 101 101 GLY CA C 101 45.529 45.366 0.163 1
1 1106 . 2 1 1 A 101 101 GLY N N 101 110.340 114.647 -4.307 1
1 7 . 3 1 1 A 2 2 SER H H 2 8.206 8.723 -0.517 1
1 8 . 3 1 1 A 2 2 SER N N 2 126.498 118.813 7.685 1
1 9 . 3 1 1 A 3 3 ASN HA H 3 5.166 4.474 0.692 1
1 12 . 3 1 1 A 3 3 ASN C C 3 175.527 175.938 -0.411 1
1 13 . 3 1 1 A 3 3 ASN CA C 3 51.466 56.041 -4.575 1
1 14 . 3 1 1 A 3 3 ASN CB C 3 39.931 39.027 0.904 1
1 15 . 3 1 1 A 4 4 HIS H H 4 8.859 8.066 0.793 1
1 16 . 3 1 1 A 4 4 HIS HA H 4 4.165 4.090 0.075 1
1 19 . 3 1 1 A 4 4 HIS C C 4 175.897 173.969 1.928 1
1 20 . 3 1 1 A 4 4 HIS CA C 4 56.644 56.746 -0.102 1
1 21 . 3 1 1 A 4 4 HIS CB C 4 30.122 28.290 1.832 1
1 22 . 3 1 1 A 4 4 HIS N N 4 120.656 118.297 2.359 1
1 23 . 3 1 1 A 5 5 ASN H H 5 8.263 7.741 0.522 1
1 24 . 3 1 1 A 5 5 ASN HA H 5 4.274 5.610 -1.336 1
1 27 . 3 1 1 A 5 5 ASN C C 5 177.939 173.353 4.586 1
1 28 . 3 1 1 A 5 5 ASN CA C 5 57.261 52.080 5.181 1
1 29 . 3 1 1 A 5 5 ASN CB C 5 38.232 42.601 -4.369 1
1 30 . 3 1 1 A 5 5 ASN N N 5 121.699 116.840 4.859 1
1 31 . 3 1 1 A 6 6 HIS H H 6 9.675 8.825 0.850 1
1 32 . 3 1 1 A 6 6 HIS HA H 6 5.261 4.933 0.328 1
1 35 . 3 1 1 A 6 6 HIS C C 6 171.876 173.395 -1.519 1
1 36 . 3 1 1 A 6 6 HIS CA C 6 56.016 55.377 0.639 1
1 37 . 3 1 1 A 6 6 HIS CB C 6 31.324 31.964 -0.640 1
1 38 . 3 1 1 A 6 6 HIS N N 6 117.245 121.825 -4.580 1
1 39 . 3 1 1 A 7 7 ILE H H 7 7.753 8.692 -0.939 1
1 40 . 3 1 1 A 7 7 ILE HA H 7 4.442 4.551 -0.109 1
1 50 . 3 1 1 A 7 7 ILE C C 7 174.518 175.558 -1.040 1
1 51 . 3 1 1 A 7 7 ILE CA C 7 57.922 60.547 -2.625 1
1 52 . 3 1 1 A 7 7 ILE CB C 7 39.790 39.214 0.576 1
1 56 . 3 1 1 A 7 7 ILE N N 7 126.114 125.362 0.752 1
1 57 . 3 1 1 A 8 8 THR H H 8 8.238 8.667 -0.429 1
1 58 . 3 1 1 A 8 8 THR HA H 8 4.733 4.785 -0.052 1
1 63 . 3 1 1 A 8 8 THR C C 8 172.672 172.578 0.094 1
1 64 . 3 1 1 A 8 8 THR CA C 8 62.203 61.737 0.466 1
1 65 . 3 1 1 A 8 8 THR CB C 8 70.202 70.082 0.120 1
1 67 . 3 1 1 A 8 8 THR N N 8 123.879 121.029 2.850 1
1 68 . 3 1 1 A 9 9 VAL H H 9 8.717 9.114 -0.397 1
1 69 . 3 1 1 A 9 9 VAL HA H 9 5.165 4.770 0.395 1
1 77 . 3 1 1 A 9 9 VAL C C 9 173.545 174.709 -1.164 1
1 78 . 3 1 1 A 9 9 VAL CA C 9 59.279 60.186 -0.907 1
1 79 . 3 1 1 A 9 9 VAL CB C 9 33.495 33.628 -0.133 1
1 82 . 3 1 1 A 9 9 VAL N N 9 124.808 127.781 -2.973 1
1 83 . 3 1 1 A 10 10 GLN H H 10 8.863 8.257 0.606 1
1 84 . 3 1 1 A 10 10 GLN HA H 10 4.841 5.088 -0.247 1
1 87 . 3 1 1 A 10 10 GLN C C 10 173.774 173.531 0.243 1
1 88 . 3 1 1 A 10 10 GLN CA C 10 53.092 53.408 -0.316 1
1 89 . 3 1 1 A 10 10 GLN CB C 10 32.226 32.707 -0.481 1
1 91 . 3 1 1 A 10 10 GLN N N 10 123.709 125.387 -1.678 1
1 92 . 3 1 1 A 11 11 PHE H H 11 8.252 8.564 -0.312 1
1 93 . 3 1 1 A 11 11 PHE HA H 11 5.661 5.465 0.196 1
1 96 . 3 1 1 A 11 11 PHE C C 11 175.180 174.779 0.401 1
1 97 . 3 1 1 A 11 11 PHE CA C 11 55.799 56.583 -0.784 1
1 98 . 3 1 1 A 11 11 PHE CB C 11 43.197 43.904 -0.707 1
1 99 . 3 1 1 A 11 11 PHE N N 11 119.002 116.828 2.174 1
1 100 . 3 1 1 A 12 12 ALA H H 12 8.989 8.331 0.658 1
1 101 . 3 1 1 A 12 12 ALA HA H 12 4.971 4.808 0.163 1
1 105 . 3 1 1 A 12 12 ALA C C 12 179.413 176.871 2.542 1
1 106 . 3 1 1 A 12 12 ALA CA C 12 51.675 52.076 -0.401 1
1 107 . 3 1 1 A 12 12 ALA CB C 12 23.716 21.456 2.260 1
1 108 . 3 1 1 A 12 12 ALA N N 12 123.388 122.695 0.693 1
1 109 . 3 1 1 A 13 13 GLY H H 13 9.188 8.750 0.438 1
1 110 . 3 1 1 A 13 13 GLY HA2 H 13 4.477 3.943 0.534 1
1 111 . 3 1 1 A 13 13 GLY HA3 H 13 3.937 3.956 -0.019 1
1 112 . 3 1 1 A 13 13 GLY C C 13 173.600 175.575 -1.975 1
1 113 . 3 1 1 A 13 13 GLY CA C 13 46.252 46.346 -0.094 1
1 114 . 3 1 1 A 13 13 GLY N N 13 110.134 111.733 -1.599 1
1 115 . 3 1 1 A 14 14 GLY H H 14 9.510 8.724 0.786 1
1 116 . 3 1 1 A 14 14 GLY HA2 H 14 4.600 3.947 0.653 1
1 117 . 3 1 1 A 14 14 GLY HA3 H 14 3.453 3.981 -0.528 1
1 118 . 3 1 1 A 14 14 GLY C C 14 177.136 174.326 2.810 1
1 119 . 3 1 1 A 14 14 GLY CA C 14 44.792 46.627 -1.835 1
1 120 . 3 1 1 A 14 14 GLY N N 14 109.966 105.294 4.672 1
1 121 . 3 1 1 A 15 15 CYS H H 15 7.748 8.192 -0.444 1
1 122 . 3 1 1 A 15 15 CYS HA H 15 3.883 4.657 -0.774 1
1 125 . 3 1 1 A 15 15 CYS C C 15 175.011 175.752 -0.741 1
1 126 . 3 1 1 A 15 15 CYS CA C 15 62.034 58.419 3.615 1
1 127 . 3 1 1 A 15 15 CYS N N 15 121.082 120.213 0.869 1
1 128 . 3 1 1 A 16 16 GLU H H 16 7.837 8.176 -0.339 1
1 129 . 3 1 1 A 16 16 GLU HA H 16 4.009 3.828 0.181 1
1 134 . 3 1 1 A 16 16 GLU C C 16 178.419 177.839 0.580 1
1 135 . 3 1 1 A 16 16 GLU CA C 16 58.599 58.174 0.425 1
1 136 . 3 1 1 A 16 16 GLU CB C 16 27.745 29.408 -1.663 1
1 138 . 3 1 1 A 16 16 GLU N N 16 120.416 121.328 -0.912 1
1 139 . 3 1 1 A 17 17 LEU H H 17 7.626 7.951 -0.325 1
1 140 . 3 1 1 A 17 17 LEU HA H 17 3.927 4.166 -0.239 1
1 150 . 3 1 1 A 17 17 LEU C C 17 178.349 177.302 1.047 1
1 151 . 3 1 1 A 17 17 LEU CA C 17 57.105 56.321 0.784 1
1 152 . 3 1 1 A 17 17 LEU CB C 17 40.474 41.404 -0.930 1
1 156 . 3 1 1 A 17 17 LEU N N 17 122.648 119.151 3.497 1
1 157 . 3 1 1 A 18 18 LEU H H 18 7.488 7.477 0.011 1
1 158 . 3 1 1 A 18 18 LEU HA H 18 4.143 4.190 -0.047 1
1 168 . 3 1 1 A 18 18 LEU C C 18 175.859 176.607 -0.748 1
1 169 . 3 1 1 A 18 18 LEU CA C 18 55.729 55.237 0.492 1
1 170 . 3 1 1 A 18 18 LEU CB C 18 40.532 41.556 -1.024 1
1 174 . 3 1 1 A 18 18 LEU N N 18 117.565 118.062 -0.497 1
1 175 . 3 1 1 A 19 19 PHE H H 19 7.164 7.525 -0.361 1
1 176 . 3 1 1 A 19 19 PHE HA H 19 4.395 4.807 -0.412 1
1 179 . 3 1 1 A 19 19 PHE C C 19 176.362 175.460 0.902 1
1 180 . 3 1 1 A 19 19 PHE CA C 19 56.373 58.893 -2.520 1
1 181 . 3 1 1 A 19 19 PHE CB C 19 39.143 40.866 -1.723 1
1 182 . 3 1 1 A 19 19 PHE N N 19 117.899 120.176 -2.277 1
1 183 . 3 1 1 A 20 20 ALA H H 20 8.780 7.493 1.287 1
1 184 . 3 1 1 A 20 20 ALA HA H 20 4.087 4.515 -0.428 1
1 188 . 3 1 1 A 20 20 ALA C C 20 176.512 177.384 -0.872 1
1 189 . 3 1 1 A 20 20 ALA CA C 20 53.279 51.406 1.873 1
1 190 . 3 1 1 A 20 20 ALA CB C 20 17.047 19.400 -2.353 1
1 191 . 3 1 1 A 20 20 ALA N N 20 123.417 119.796 3.621 1
1 192 . 3 1 1 A 21 21 LYS H H 21 7.825 7.954 -0.129 1
1 193 . 3 1 1 A 21 21 LYS HA H 21 3.181 3.804 -0.623 1
1 202 . 3 1 1 A 21 21 LYS C C 21 175.295 175.481 -0.186 1
1 203 . 3 1 1 A 21 21 LYS CA C 21 58.666 57.347 1.319 1
1 204 . 3 1 1 A 21 21 LYS CB C 21 29.784 29.532 0.252 1
1 208 . 3 1 1 A 21 21 LYS N N 21 108.448 112.479 -4.031 1
1 209 . 3 1 1 A 22 22 GLN H H 22 7.611 7.981 -0.370 1
1 210 . 3 1 1 A 22 22 GLN HA H 22 4.429 4.486 -0.057 1
1 215 . 3 1 1 A 22 22 GLN C C 22 174.967 176.122 -1.155 1
1 216 . 3 1 1 A 22 22 GLN CA C 22 56.105 55.795 0.310 1
1 217 . 3 1 1 A 22 22 GLN CB C 22 29.548 30.703 -1.155 1
1 219 . 3 1 1 A 22 22 GLN N N 22 120.482 117.815 2.667 1
1 220 . 3 1 1 A 23 23 THR H H 23 8.201 8.642 -0.441 1
1 221 . 3 1 1 A 23 23 THR HA H 23 4.491 4.510 -0.019 1
1 226 . 3 1 1 A 23 23 THR C C 23 175.012 175.037 -0.025 1
1 227 . 3 1 1 A 23 23 THR CA C 23 62.436 62.346 0.090 1
1 228 . 3 1 1 A 23 23 THR CB C 23 69.501 69.257 0.244 1
1 229 . 3 1 1 A 23 23 THR N N 23 110.354 113.372 -3.018 1
1 230 . 3 1 1 A 24 24 SER H H 24 7.751 8.136 -0.385 1
1 231 . 3 1 1 A 24 24 SER HA H 24 5.136 5.058 0.078 1
1 234 . 3 1 1 A 24 24 SER C C 24 172.623 172.906 -0.283 1
1 235 . 3 1 1 A 24 24 SER CA C 24 57.192 56.643 0.549 1
1 236 . 3 1 1 A 24 24 SER CB C 24 65.459 66.474 -1.015 1
1 237 . 3 1 1 A 24 24 SER N N 24 114.575 114.437 0.138 1
1 238 . 3 1 1 A 25 25 LEU H H 25 9.272 8.590 0.682 1
1 239 . 3 1 1 A 25 25 LEU HA H 25 4.531 4.993 -0.462 1
1 249 . 3 1 1 A 25 25 LEU C C 25 174.436 174.619 -0.183 1
1 250 . 3 1 1 A 25 25 LEU CA C 25 53.929 53.594 0.335 1
1 251 . 3 1 1 A 25 25 LEU CB C 25 45.561 46.657 -1.096 1
1 255 . 3 1 1 A 25 25 LEU N N 25 124.288 121.744 2.544 1
1 256 . 3 1 1 A 26 26 GLN H H 26 8.573 8.771 -0.198 1
1 257 . 3 1 1 A 26 26 GLN HA H 26 4.607 5.540 -0.933 1
1 262 . 3 1 1 A 26 26 GLN C C 26 173.250 174.779 -1.529 1
1 263 . 3 1 1 A 26 26 GLN CA C 26 54.207 54.296 -0.089 1
1 264 . 3 1 1 A 26 26 GLN CB C 26 27.813 31.347 -3.534 1
1 266 . 3 1 1 A 26 26 GLN N N 26 122.971 121.959 1.012 1
1 267 . 3 1 1 A 27 27 LEU H H 27 8.753 8.949 -0.196 1
1 268 . 3 1 1 A 27 27 LEU HA H 27 4.414 4.983 -0.569 1
1 272 . 3 1 1 A 27 27 LEU C C 27 175.313 175.794 -0.481 1
1 273 . 3 1 1 A 27 27 LEU CA C 27 53.132 53.506 -0.374 1
1 274 . 3 1 1 A 27 27 LEU CB C 27 40.489 44.239 -3.750 1
1 278 . 3 1 1 A 27 27 LEU N N 27 126.504 126.004 0.500 1
1 279 . 3 1 1 A 28 28 ASP H H 28 8.568 8.686 -0.118 1
1 280 . 3 1 1 A 28 28 ASP HA H 28 4.414 5.420 -1.006 1
1 283 . 3 1 1 A 28 28 ASP C C 28 176.147 175.213 0.934 1
1 284 . 3 1 1 A 28 28 ASP CA C 28 53.407 52.526 0.881 1
1 285 . 3 1 1 A 28 28 ASP CB C 28 40.535 43.063 -2.528 1
1 286 . 3 1 1 A 28 28 ASP N N 28 112.805 122.584 -9.779 1
1 287 . 3 1 1 A 29 29 GLY H H 29 7.770 8.676 -0.906 1
1 288 . 3 1 1 A 29 29 GLY HA2 H 29 3.942 4.444 -0.502 1
1 289 . 3 1 1 A 29 29 GLY HA3 H 29 3.806 4.445 -0.639 1
1 290 . 3 1 1 A 29 29 GLY C C 29 174.455 174.717 -0.262 1
1 291 . 3 1 1 A 29 29 GLY CA C 29 47.297 44.519 2.778 1
1 292 . 3 1 1 A 29 29 GLY N N 29 129.863 111.942 17.921 1
1 293 . 3 1 1 A 30 30 VAL H H 30 7.792 8.903 -1.111 1
1 294 . 3 1 1 A 30 30 VAL HA H 30 4.391 3.882 0.509 1
1 302 . 3 1 1 A 30 30 VAL C C 30 174.315 176.271 -1.956 1
1 303 . 3 1 1 A 30 30 VAL CA C 30 62.180 65.040 -2.860 1
1 304 . 3 1 1 A 30 30 VAL CB C 30 35.931 31.809 4.122 1
1 307 . 3 1 1 A 30 30 VAL N N 30 112.711 119.989 -7.278 1
1 308 . 3 1 1 A 31 31 VAL H H 31 8.748 7.751 0.997 1
1 309 . 3 1 1 A 31 31 VAL C C 31 172.882 174.245 -1.363 1
1 310 . 3 1 1 A 31 31 VAL CA C 31 62.284 59.049 3.235 1
1 311 . 3 1 1 A 31 31 VAL CB C 31 33.804 32.029 1.775 1
1 312 . 3 1 1 A 31 31 VAL N N 31 123.316 120.508 2.808 1
1 313 . 3 1 1 A 32 32 PRO HA H 32 5.038 4.536 0.502 1
1 320 . 3 1 1 A 32 32 PRO C C 32 179.633 176.336 3.297 1
1 321 . 3 1 1 A 32 32 PRO CA C 32 63.073 63.744 -0.671 1
1 322 . 3 1 1 A 32 32 PRO CB C 32 32.421 32.630 -0.209 1
1 325 . 3 1 1 A 33 33 THR H H 33 8.739 7.550 1.189 1
1 326 . 3 1 1 A 33 33 THR HA H 33 3.896 4.381 -0.485 1
1 331 . 3 1 1 A 33 33 THR C C 33 174.735 175.673 -0.938 1
1 332 . 3 1 1 A 33 33 THR CA C 33 64.329 63.968 0.361 1
1 333 . 3 1 1 A 33 33 THR CB C 33 67.929 69.371 -1.442 1
1 335 . 3 1 1 A 33 33 THR N N 33 120.858 115.132 5.726 1
1 336 . 3 1 1 A 34 34 GLY H H 34 8.303 8.877 -0.574 1
1 337 . 3 1 1 A 34 34 GLY HA2 H 34 4.359 3.935 0.424 1
1 338 . 3 1 1 A 34 34 GLY HA3 H 34 3.451 3.943 -0.492 1
1 339 . 3 1 1 A 34 34 GLY C C 34 174.037 174.599 -0.562 1
1 340 . 3 1 1 A 34 34 GLY CA C 34 45.067 45.023 0.044 1
1 341 . 3 1 1 A 34 34 GLY N N 34 114.645 113.742 0.903 1
1 342 . 3 1 1 A 35 35 THR H H 35 7.405 7.559 -0.154 1
1 343 . 3 1 1 A 35 35 THR HA H 35 4.073 4.415 -0.342 1
1 348 . 3 1 1 A 35 35 THR C C 35 174.540 174.565 -0.025 1
1 349 . 3 1 1 A 35 35 THR CA C 35 65.137 62.274 2.863 1
1 350 . 3 1 1 A 35 35 THR CB C 35 69.484 69.749 -0.265 1
1 352 . 3 1 1 A 35 35 THR N N 35 117.340 114.747 2.593 1
1 353 . 3 1 1 A 36 36 ASN H H 36 8.836 8.620 0.216 1
1 354 . 3 1 1 A 36 36 ASN HA H 36 5.686 5.383 0.303 1
1 357 . 3 1 1 A 36 36 ASN C C 36 176.512 175.833 0.679 1
1 358 . 3 1 1 A 36 36 ASN CA C 36 50.439 51.241 -0.802 1
1 359 . 3 1 1 A 36 36 ASN CB C 36 40.274 40.492 -0.218 1
1 360 . 3 1 1 A 36 36 ASN N N 36 127.379 121.582 5.797 1
1 361 . 3 1 1 A 37 37 LEU H H 37 8.045 8.783 -0.738 1
1 362 . 3 1 1 A 37 37 LEU HA H 37 4.142 4.052 0.090 1
1 372 . 3 1 1 A 37 37 LEU C C 37 178.931 178.674 0.257 1
1 373 . 3 1 1 A 37 37 LEU CA C 37 59.274 58.757 0.517 1
1 374 . 3 1 1 A 37 37 LEU CB C 37 42.159 41.607 0.552 1
1 378 . 3 1 1 A 37 37 LEU N N 37 119.164 120.295 -1.131 1
1 379 . 3 1 1 A 38 38 ASN H H 38 7.959 8.731 -0.772 1
1 380 . 3 1 1 A 38 38 ASN HA H 38 4.502 4.479 0.023 1
1 383 . 3 1 1 A 38 38 ASN C C 38 178.691 179.020 -0.329 1
1 384 . 3 1 1 A 38 38 ASN CA C 38 57.080 56.237 0.843 1
1 385 . 3 1 1 A 38 38 ASN CB C 38 38.367 37.925 0.442 1
1 386 . 3 1 1 A 38 38 ASN N N 38 118.522 115.610 2.912 1
1 387 . 3 1 1 A 39 39 GLY H H 39 8.828 8.073 0.755 1
1 388 . 3 1 1 A 39 39 GLY HA2 H 39 4.088 3.720 0.368 1
1 389 . 3 1 1 A 39 39 GLY HA3 H 39 3.911 3.723 0.188 1
1 390 . 3 1 1 A 39 39 GLY C C 39 177.320 175.612 1.708 1
1 391 . 3 1 1 A 39 39 GLY CA C 39 46.879 47.111 -0.232 1
1 392 . 3 1 1 A 39 39 GLY N N 39 109.615 107.931 1.684 1
1 393 . 3 1 1 A 40 40 LEU H H 40 8.829 8.326 0.503 1
1 394 . 3 1 1 A 40 40 LEU HA H 40 4.504 4.132 0.372 1
1 404 . 3 1 1 A 40 40 LEU C C 40 177.788 178.473 -0.685 1
1 405 . 3 1 1 A 40 40 LEU CA C 40 57.770 57.546 0.224 1
1 406 . 3 1 1 A 40 40 LEU CB C 40 41.713 41.752 -0.039 1
1 410 . 3 1 1 A 40 40 LEU N N 40 125.884 123.288 2.596 1
1 411 . 3 1 1 A 41 41 VAL H H 41 8.333 8.238 0.095 1
1 412 . 3 1 1 A 41 41 VAL HA H 41 3.328 3.871 -0.543 1
1 420 . 3 1 1 A 41 41 VAL C C 41 177.556 178.232 -0.676 1
1 421 . 3 1 1 A 41 41 VAL CA C 41 67.977 65.302 2.675 1
1 422 . 3 1 1 A 41 41 VAL CB C 41 31.080 31.145 -0.065 1
1 425 . 3 1 1 A 41 41 VAL N N 41 120.213 116.907 3.306 1
1 426 . 3 1 1 A 42 42 GLN H H 42 7.672 8.237 -0.565 1
1 427 . 3 1 1 A 42 42 GLN HA H 42 3.866 4.101 -0.235 1
1 432 . 3 1 1 A 42 42 GLN C C 42 177.980 178.280 -0.300 1
1 433 . 3 1 1 A 42 42 GLN CA C 42 58.694 58.646 0.048 1
1 434 . 3 1 1 A 42 42 GLN CB C 42 27.809 28.313 -0.504 1
1 436 . 3 1 1 A 42 42 GLN N N 42 116.386 121.327 -4.941 1
1 437 . 3 1 1 A 43 43 LEU H H 43 8.080 7.623 0.457 1
1 438 . 3 1 1 A 43 43 LEU HA H 43 4.225 4.184 0.041 1
1 448 . 3 1 1 A 43 43 LEU C C 43 179.999 178.589 1.410 1
1 449 . 3 1 1 A 43 43 LEU CA C 43 58.275 57.341 0.934 1
1 450 . 3 1 1 A 43 43 LEU CB C 43 43.046 41.343 1.703 1
1 454 . 3 1 1 A 43 43 LEU N N 43 122.204 121.561 0.643 1
1 455 . 3 1 1 A 44 44 LEU H H 44 8.810 8.058 0.752 1
1 456 . 3 1 1 A 44 44 LEU HA H 44 4.384 4.487 -0.103 1
1 466 . 3 1 1 A 44 44 LEU C C 44 179.311 178.935 0.376 1
1 467 . 3 1 1 A 44 44 LEU CA C 44 58.397 57.239 1.158 1
1 468 . 3 1 1 A 44 44 LEU CB C 44 41.553 42.688 -1.135 1
1 472 . 3 1 1 A 44 44 LEU N N 44 119.371 117.868 1.503 1
1 473 . 3 1 1 A 45 45 LYS H H 45 8.652 8.488 0.164 1
1 474 . 3 1 1 A 45 45 LYS HA H 45 3.678 4.185 -0.507 1
1 483 . 3 1 1 A 45 45 LYS C C 45 177.005 179.068 -2.063 1
1 484 . 3 1 1 A 45 45 LYS CA C 45 60.016 59.066 0.950 1
1 485 . 3 1 1 A 45 45 LYS CB C 45 32.411 32.309 0.102 1
1 489 . 3 1 1 A 45 45 LYS N N 45 120.434 120.290 0.144 1
1 490 . 3 1 1 A 46 46 THR H H 46 8.180 8.369 -0.189 1
1 491 . 3 1 1 A 46 46 THR HA H 46 4.027 4.091 -0.064 1
1 496 . 3 1 1 A 46 46 THR C C 46 176.217 175.288 0.929 1
1 497 . 3 1 1 A 46 46 THR CA C 46 65.173 65.546 -0.373 1
1 498 . 3 1 1 A 46 46 THR CB C 46 69.680 68.642 1.038 1
1 500 . 3 1 1 A 46 46 THR N N 46 109.149 115.516 -6.367 1
1 501 . 3 1 1 A 47 47 ASN H H 47 8.170 7.897 0.273 1
1 502 . 3 1 1 A 47 47 ASN HA H 47 4.785 4.652 0.133 1
1 505 . 3 1 1 A 47 47 ASN C C 47 175.267 175.171 0.096 1
1 506 . 3 1 1 A 47 47 ASN CA C 47 54.213 54.189 0.024 1
1 507 . 3 1 1 A 47 47 ASN CB C 47 40.712 40.261 0.451 1
1 508 . 3 1 1 A 47 47 ASN N N 47 116.045 116.817 -0.772 1
1 509 . 3 1 1 A 48 48 TYR H H 48 8.094 7.634 0.460 1
1 510 . 3 1 1 A 48 48 TYR HA H 48 4.695 4.736 -0.041 1
1 513 . 3 1 1 A 48 48 TYR C C 48 175.011 174.512 0.499 1
1 514 . 3 1 1 A 48 48 TYR CA C 48 60.273 56.963 3.310 1
1 515 . 3 1 1 A 48 48 TYR CB C 48 41.189 38.394 2.795 1
1 516 . 3 1 1 A 48 48 TYR N N 48 115.849 115.703 0.146 1
1 517 . 3 1 1 A 49 49 VAL H H 49 7.769 7.611 0.158 1
1 518 . 3 1 1 A 49 49 VAL HA H 49 3.715 4.768 -1.053 1
1 526 . 3 1 1 A 49 49 VAL C C 49 176.157 176.051 0.106 1
1 527 . 3 1 1 A 49 49 VAL CA C 49 63.454 60.229 3.225 1
1 528 . 3 1 1 A 49 49 VAL CB C 49 31.695 33.907 -2.212 1
1 531 . 3 1 1 A 49 49 VAL N N 49 120.510 121.776 -1.266 1
1 532 . 3 1 1 A 50 50 LYS H H 50 8.334 8.719 -0.385 1
1 533 . 3 1 1 A 50 50 LYS HA H 50 4.242 4.507 -0.265 1
1 542 . 3 1 1 A 50 50 LYS C C 50 176.562 175.309 1.253 1
1 543 . 3 1 1 A 50 50 LYS CA C 50 55.979 56.001 -0.022 1
1 544 . 3 1 1 A 50 50 LYS CB C 50 32.822 32.715 0.107 1
1 548 . 3 1 1 A 50 50 LYS N N 50 125.933 128.039 -2.106 1
1 549 . 3 1 1 A 51 51 GLU H H 51 7.598 7.669 -0.071 1
1 550 . 3 1 1 A 51 51 GLU HA H 51 4.328 4.562 -0.234 1
1 553 . 3 1 1 A 51 51 GLU C C 51 172.975 174.597 -1.622 1
1 554 . 3 1 1 A 51 51 GLU CA C 51 55.074 55.459 -0.385 1
1 555 . 3 1 1 A 51 51 GLU CB C 51 32.633 32.549 0.084 1
1 557 . 3 1 1 A 51 51 GLU N N 51 117.804 119.381 -1.577 1
1 558 . 3 1 1 A 52 52 ARG H H 52 8.383 8.541 -0.158 1
1 559 . 3 1 1 A 52 52 ARG CA C 52 53.279 52.720 0.559 1
1 560 . 3 1 1 A 52 52 ARG CB C 52 26.615 30.903 -4.288 1
1 561 . 3 1 1 A 52 52 ARG N N 52 111.793 122.253 -10.460 1
1 562 . 3 1 1 A 53 53 PRO HA H 53 4.029 4.319 -0.290 1
1 569 . 3 1 1 A 53 53 PRO C C 53 177.018 177.719 -0.701 1
1 570 . 3 1 1 A 53 53 PRO CA C 53 65.474 65.673 -0.199 1
1 571 . 3 1 1 A 53 53 PRO CB C 53 30.916 31.981 -1.065 1
1 574 . 3 1 1 A 53 53 PRO N N 53 111.793 139.396 -27.603 1
1 575 . 3 1 1 A 54 54 ASP H H 54 8.462 8.410 0.052 1
1 576 . 3 1 1 A 54 54 ASP HA H 54 4.345 4.457 -0.112 1
1 579 . 3 1 1 A 54 54 ASP C C 54 176.493 177.848 -1.355 1
1 580 . 3 1 1 A 54 54 ASP CA C 54 54.982 56.127 -1.145 1
1 581 . 3 1 1 A 54 54 ASP CB C 54 39.451 40.179 -0.728 1
1 582 . 3 1 1 A 54 54 ASP N N 54 113.848 116.516 -2.668 1
1 583 . 3 1 1 A 55 55 LEU H H 55 7.766 8.214 -0.448 1
1 584 . 3 1 1 A 55 55 LEU HA H 55 4.235 4.074 0.161 1
1 594 . 3 1 1 A 55 55 LEU C C 55 175.873 178.158 -2.285 1
1 595 . 3 1 1 A 55 55 LEU CA C 55 55.305 57.058 -1.753 1
1 596 . 3 1 1 A 55 55 LEU CB C 55 41.271 41.657 -0.386 1
1 600 . 3 1 1 A 55 55 LEU N N 55 117.721 115.216 2.505 1
1 601 . 3 1 1 A 56 56 LEU H H 56 7.630 7.452 0.178 1
1 602 . 3 1 1 A 56 56 LEU HA H 56 4.552 4.463 0.089 1
1 612 . 3 1 1 A 56 56 LEU C C 56 175.341 177.111 -1.770 1
1 613 . 3 1 1 A 56 56 LEU CA C 56 55.516 55.623 -0.107 1
1 614 . 3 1 1 A 56 56 LEU CB C 56 44.910 43.010 1.900 1
1 618 . 3 1 1 A 56 56 LEU N N 56 118.796 116.227 2.569 1
1 619 . 3 1 1 A 57 57 VAL H H 57 7.206 7.152 0.054 1
1 620 . 3 1 1 A 57 57 VAL HA H 57 5.048 4.009 1.039 1
1 628 . 3 1 1 A 57 57 VAL C C 57 175.020 175.978 -0.958 1
1 629 . 3 1 1 A 57 57 VAL CA C 57 58.550 62.045 -3.495 1
1 630 . 3 1 1 A 57 57 VAL CB C 57 35.049 32.675 2.374 1
1 633 . 3 1 1 A 57 57 VAL N N 57 106.872 120.074 -13.202 1
1 634 . 3 1 1 A 58 58 ASP H H 58 8.447 9.374 -0.927 1
1 635 . 3 1 1 A 58 58 ASP HA H 58 4.459 4.433 0.026 1
1 638 . 3 1 1 A 58 58 ASP C C 58 177.406 177.094 0.312 1
1 639 . 3 1 1 A 58 58 ASP CA C 58 53.130 56.929 -3.799 1
1 640 . 3 1 1 A 58 58 ASP CB C 58 40.985 41.360 -0.375 1
1 641 . 3 1 1 A 58 58 ASP N N 58 118.741 124.009 -5.268 1
1 642 . 3 1 1 A 59 59 GLN H H 59 8.883 7.960 0.923 1
1 643 . 3 1 1 A 59 59 GLN HA H 59 4.031 4.636 -0.605 1
1 648 . 3 1 1 A 59 59 GLN C C 59 177.499 176.832 0.667 1
1 649 . 3 1 1 A 59 59 GLN CA C 59 59.120 57.477 1.643 1
1 650 . 3 1 1 A 59 59 GLN CB C 59 28.389 30.848 -2.459 1
1 652 . 3 1 1 A 59 59 GLN N N 59 119.603 117.143 2.460 1
1 653 . 3 1 1 A 60 60 THR H H 60 8.060 8.128 -0.068 1
1 654 . 3 1 1 A 60 60 THR HA H 60 4.296 4.260 0.036 1
1 659 . 3 1 1 A 60 60 THR C C 60 176.363 175.922 0.441 1
1 660 . 3 1 1 A 60 60 THR CA C 60 63.358 63.464 -0.106 1
1 661 . 3 1 1 A 60 60 THR CB C 60 70.577 70.438 0.139 1
1 663 . 3 1 1 A 60 60 THR N N 60 109.323 111.852 -2.529 1
1 664 . 3 1 1 A 61 61 GLY H H 61 8.001 7.829 0.172 1
1 665 . 3 1 1 A 61 61 GLY HA2 H 61 4.173 3.978 0.195 1
1 666 . 3 1 1 A 61 61 GLY HA3 H 61 3.610 3.978 -0.368 1
1 667 . 3 1 1 A 61 61 GLY C C 61 174.049 174.780 -0.731 1
1 668 . 3 1 1 A 61 61 GLY CA C 61 45.301 45.923 -0.622 1
1 669 . 3 1 1 A 61 61 GLY N N 61 109.323 110.036 -0.713 1
1 670 . 3 1 1 A 62 62 GLN H H 62 8.091 8.078 0.013 1
1 671 . 3 1 1 A 62 62 GLN HA H 62 4.172 4.610 -0.438 1
1 674 . 3 1 1 A 62 62 GLN C C 62 175.201 175.208 -0.007 1
1 675 . 3 1 1 A 62 62 GLN CA C 62 56.474 56.566 -0.092 1
1 676 . 3 1 1 A 62 62 GLN CB C 62 30.618 30.707 -0.089 1
1 678 . 3 1 1 A 62 62 GLN N N 62 117.247 117.064 0.183 1
1 679 . 3 1 1 A 63 63 THR H H 63 7.740 7.810 -0.070 1
1 680 . 3 1 1 A 63 63 THR HA H 63 4.624 4.848 -0.224 1
1 685 . 3 1 1 A 63 63 THR C C 63 172.622 174.394 -1.772 1
1 686 . 3 1 1 A 63 63 THR CA C 63 59.718 60.602 -0.884 1
1 687 . 3 1 1 A 63 63 THR CB C 63 70.832 70.815 0.017 1
1 689 . 3 1 1 A 63 63 THR N N 63 113.860 115.523 -1.663 1
1 690 . 3 1 1 A 64 64 LEU H H 64 8.364 8.854 -0.490 1
1 691 . 3 1 1 A 64 64 LEU HA H 64 4.324 4.291 0.033 1
1 701 . 3 1 1 A 64 64 LEU C C 64 176.311 177.003 -0.692 1
1 702 . 3 1 1 A 64 64 LEU CA C 64 55.025 55.437 -0.412 1
1 703 . 3 1 1 A 64 64 LEU CB C 64 43.871 42.231 1.640 1
1 707 . 3 1 1 A 64 64 LEU N N 64 123.689 127.949 -4.260 1
1 708 . 3 1 1 A 65 65 ARG H H 65 8.192 9.177 -0.985 1
1 709 . 3 1 1 A 65 65 ARG C C 65 173.609 176.519 -2.910 1
1 710 . 3 1 1 A 65 65 ARG CA C 65 55.287 55.343 -0.056 1
1 711 . 3 1 1 A 65 65 ARG CB C 65 29.681 30.310 -0.629 1
1 712 . 3 1 1 A 65 65 ARG N N 65 126.639 122.195 4.444 1
1 713 . 3 1 1 A 66 66 PRO HA H 66 4.390 4.309 0.081 1
1 720 . 3 1 1 A 66 66 PRO C C 66 177.030 178.892 -1.862 1
1 721 . 3 1 1 A 66 66 PRO CA C 66 63.719 65.421 -1.702 1
1 722 . 3 1 1 A 66 66 PRO CB C 66 31.825 31.882 -0.057 1
1 725 . 3 1 1 A 66 66 PRO N N 66 126.639 137.585 -10.946 1
1 726 . 3 1 1 A 67 67 GLY H H 67 8.744 8.457 0.287 1
1 727 . 3 1 1 A 67 67 GLY HA2 H 67 4.232 3.895 0.337 1
1 728 . 3 1 1 A 67 67 GLY HA3 H 67 3.544 3.916 -0.372 1
1 729 . 3 1 1 A 67 67 GLY C C 67 174.319 174.903 -0.584 1
1 730 . 3 1 1 A 67 67 GLY CA C 67 44.818 46.957 -2.139 1
1 731 . 3 1 1 A 68 68 ILE H H 68 7.522 7.630 -0.108 1
1 732 . 3 1 1 A 68 68 ILE HA H 68 4.690 4.459 0.231 1
1 742 . 3 1 1 A 68 68 ILE C C 68 174.703 175.073 -0.370 1
1 743 . 3 1 1 A 68 68 ILE CA C 68 61.047 60.945 0.102 1
1 744 . 3 1 1 A 68 68 ILE CB C 68 38.090 37.662 0.428 1
1 748 . 3 1 1 A 68 68 ILE N N 68 121.049 120.434 0.615 1
1 749 . 3 1 1 A 69 69 LEU H H 69 9.207 9.436 -0.229 1
1 750 . 3 1 1 A 69 69 LEU HA H 69 4.449 4.702 -0.253 1
1 760 . 3 1 1 A 69 69 LEU C C 69 174.991 175.088 -0.097 1
1 761 . 3 1 1 A 69 69 LEU CA C 69 54.106 54.272 -0.166 1
1 762 . 3 1 1 A 69 69 LEU CB C 69 43.588 42.066 1.522 1
1 766 . 3 1 1 A 69 69 LEU N N 69 131.197 130.011 1.186 1
1 767 . 3 1 1 A 70 70 VAL H H 70 8.149 8.204 -0.055 1
1 768 . 3 1 1 A 70 70 VAL HA H 70 4.955 4.618 0.337 1
1 776 . 3 1 1 A 70 70 VAL C C 70 175.167 175.209 -0.042 1
1 777 . 3 1 1 A 70 70 VAL CA C 70 59.928 62.061 -2.133 1
1 778 . 3 1 1 A 70 70 VAL CB C 70 33.239 32.089 1.150 1
1 781 . 3 1 1 A 70 70 VAL N N 70 121.953 126.196 -4.243 1
1 782 . 3 1 1 A 71 71 LEU H H 71 8.881 8.209 0.672 1
1 783 . 3 1 1 A 71 71 LEU HA H 71 4.922 5.073 -0.151 1
1 793 . 3 1 1 A 71 71 LEU C C 71 176.487 175.137 1.350 1
1 794 . 3 1 1 A 71 71 LEU CA C 71 52.627 53.082 -0.455 1
1 795 . 3 1 1 A 71 71 LEU CB C 71 44.487 44.466 0.021 1
1 799 . 3 1 1 A 71 71 LEU N N 71 126.071 126.706 -0.635 1
1 800 . 3 1 1 A 72 72 VAL H H 72 9.048 8.592 0.456 1
1 801 . 3 1 1 A 72 72 VAL HA H 72 4.351 4.795 -0.444 1
1 809 . 3 1 1 A 72 72 VAL C C 72 176.078 175.759 0.319 1
1 810 . 3 1 1 A 72 72 VAL CA C 72 60.886 60.958 -0.072 1
1 811 . 3 1 1 A 72 72 VAL CB C 72 33.141 32.990 0.151 1
1 814 . 3 1 1 A 72 72 VAL N N 72 120.969 124.448 -3.479 1
1 815 . 3 1 1 A 73 73 ASN H H 73 9.630 9.181 0.449 1
1 816 . 3 1 1 A 73 73 ASN HA H 73 4.335 4.370 -0.035 1
1 821 . 3 1 1 A 73 73 ASN C C 73 175.496 175.184 0.312 1
1 822 . 3 1 1 A 73 73 ASN CA C 73 54.736 54.548 0.188 1
1 823 . 3 1 1 A 73 73 ASN CB C 73 36.825 36.908 -0.083 1
1 824 . 3 1 1 A 73 73 ASN N N 73 129.082 127.528 1.554 1
1 825 . 3 1 1 A 74 74 SER H H 74 9.308 8.379 0.929 1
1 826 . 3 1 1 A 74 74 SER C C 74 172.584 174.148 -1.564 1
1 827 . 3 1 1 A 74 74 SER N N 74 106.084 112.516 -6.432 1
1 828 . 3 1 1 A 75 75 CYS H H 75 7.845 7.693 0.152 1
1 829 . 3 1 1 A 75 75 CYS C C 75 176.045 174.188 1.857 1
1 830 . 3 1 1 A 75 75 CYS CA C 75 57.152 57.891 -0.739 1
1 831 . 3 1 1 A 75 75 CYS CB C 75 29.101 28.273 0.828 1
1 832 . 3 1 1 A 75 75 CYS N N 75 120.460 119.037 1.423 1
1 833 . 3 1 1 A 76 76 ASP H H 76 8.766 8.147 0.619 1
1 834 . 3 1 1 A 76 76 ASP HA H 76 4.295 4.599 -0.304 1
1 837 . 3 1 1 A 76 76 ASP C C 76 177.713 175.660 2.053 1
1 838 . 3 1 1 A 76 76 ASP CA C 76 55.721 56.333 -0.612 1
1 839 . 3 1 1 A 76 76 ASP CB C 76 41.513 40.079 1.434 1
1 840 . 3 1 1 A 76 76 ASP N N 76 126.661 121.750 4.911 1
1 841 . 3 1 1 A 77 77 ALA H H 77 8.555 8.358 0.197 1
1 842 . 3 1 1 A 77 77 ALA HA H 77 3.688 4.043 -0.355 1
1 846 . 3 1 1 A 77 77 ALA C C 77 180.149 178.836 1.313 1
1 847 . 3 1 1 A 77 77 ALA CA C 77 54.334 54.005 0.329 1
1 848 . 3 1 1 A 77 77 ALA CB C 77 18.453 18.590 -0.137 1
1 849 . 3 1 1 A 77 77 ALA N N 77 128.302 127.516 0.786 1
1 850 . 3 1 1 A 78 78 GLU H H 78 9.034 7.352 1.682 1
1 851 . 3 1 1 A 78 78 GLU HA H 78 3.763 4.205 -0.442 1
1 856 . 3 1 1 A 78 78 GLU C C 78 179.359 179.087 0.272 1
1 857 . 3 1 1 A 78 78 GLU CA C 78 59.569 58.946 0.623 1
1 858 . 3 1 1 A 78 78 GLU CB C 78 29.511 29.403 0.108 1
1 860 . 3 1 1 A 78 78 GLU N N 78 117.499 118.076 -0.577 1
1 861 . 3 1 1 A 79 79 VAL H H 79 7.753 7.860 -0.107 1
1 862 . 3 1 1 A 79 79 VAL HA H 79 3.927 3.608 0.319 1
1 870 . 3 1 1 A 79 79 VAL C C 79 177.408 178.280 -0.872 1
1 871 . 3 1 1 A 79 79 VAL CA C 79 64.439 66.337 -1.898 1
1 872 . 3 1 1 A 79 79 VAL CB C 79 31.904 31.516 0.388 1
1 875 . 3 1 1 A 79 79 VAL N N 79 115.536 120.999 -5.463 1
1 876 . 3 1 1 A 80 80 VAL H H 80 7.123 7.551 -0.428 1
1 877 . 3 1 1 A 80 80 VAL HA H 80 4.443 4.127 0.316 1
1 885 . 3 1 1 A 80 80 VAL C C 80 175.020 176.252 -1.232 1
1 886 . 3 1 1 A 80 80 VAL CA C 80 60.286 64.461 -4.175 1
1 887 . 3 1 1 A 80 80 VAL CB C 80 30.948 32.218 -1.270 1
1 890 . 3 1 1 A 80 80 VAL N N 80 109.738 116.002 -6.264 1
1 891 . 3 1 1 A 81 81 GLY H H 81 7.210 7.572 -0.362 1
1 892 . 3 1 1 A 81 81 GLY HA2 H 81 4.511 3.999 0.512 1
1 893 . 3 1 1 A 81 81 GLY HA3 H 81 3.664 4.028 -0.364 1
1 894 . 3 1 1 A 81 81 GLY C C 81 175.262 175.520 -0.258 1
1 895 . 3 1 1 A 81 81 GLY CA C 81 44.964 45.424 -0.460 1
1 896 . 3 1 1 A 81 81 GLY N N 81 106.697 110.061 -3.364 1
1 897 . 3 1 1 A 82 82 GLY H H 82 8.673 8.867 -0.194 1
1 898 . 3 1 1 A 82 82 GLY HA2 H 82 4.022 4.009 0.013 1
1 899 . 3 1 1 A 82 82 GLY HA3 H 82 3.150 4.022 -0.872 1
1 900 . 3 1 1 A 82 82 GLY C C 82 174.547 173.656 0.891 1
1 901 . 3 1 1 A 82 82 GLY CA C 82 45.151 45.612 -0.461 1
1 902 . 3 1 1 A 82 82 GLY N N 82 111.931 108.731 3.200 1
1 903 . 3 1 1 A 83 83 MET H H 83 8.841 7.670 1.171 1
1 904 . 3 1 1 A 83 83 MET HA H 83 4.582 4.814 -0.232 1
1 909 . 3 1 1 A 83 83 MET C C 83 176.001 175.094 0.907 1
1 910 . 3 1 1 A 83 83 MET CA C 83 55.737 54.440 1.297 1
1 911 . 3 1 1 A 83 83 MET CB C 83 30.273 33.354 -3.081 1
1 913 . 3 1 1 A 83 83 MET N N 83 119.840 115.575 4.265 1
1 914 . 3 1 1 A 84 84 ASP H H 84 7.395 8.249 -0.854 1
1 915 . 3 1 1 A 84 84 ASP HA H 84 4.695 4.907 -0.212 1
1 918 . 3 1 1 A 84 84 ASP C C 84 176.694 175.419 1.275 1
1 919 . 3 1 1 A 84 84 ASP CA C 84 54.300 53.167 1.133 1
1 920 . 3 1 1 A 84 84 ASP CB C 84 41.551 41.561 -0.010 1
1 921 . 3 1 1 A 84 84 ASP N N 84 114.478 120.261 -5.783 1
1 922 . 3 1 1 A 85 85 TYR H H 85 7.930 7.863 0.067 1
1 923 . 3 1 1 A 85 85 TYR HA H 85 4.148 4.563 -0.415 1
1 926 . 3 1 1 A 85 85 TYR C C 85 173.845 175.156 -1.311 1
1 927 . 3 1 1 A 85 85 TYR CA C 85 59.520 57.315 2.205 1
1 928 . 3 1 1 A 85 85 TYR CB C 85 38.105 38.628 -0.523 1
1 929 . 3 1 1 A 85 85 TYR N N 85 123.769 122.410 1.359 1
1 930 . 3 1 1 A 86 86 VAL H H 86 7.755 8.145 -0.390 1
1 931 . 3 1 1 A 86 86 VAL HA H 86 3.402 4.367 -0.965 1
1 939 . 3 1 1 A 86 86 VAL C C 86 173.896 175.666 -1.770 1
1 940 . 3 1 1 A 86 86 VAL CA C 86 62.779 61.815 0.964 1
1 941 . 3 1 1 A 86 86 VAL CB C 86 31.843 32.528 -0.685 1
1 944 . 3 1 1 A 86 86 VAL N N 86 130.130 124.666 5.464 1
1 945 . 3 1 1 A 87 87 LEU H H 87 7.069 9.300 -2.231 1
1 946 . 3 1 1 A 87 87 LEU HA H 87 3.833 4.315 -0.482 1
1 956 . 3 1 1 A 87 87 LEU C C 87 176.432 176.443 -0.011 1
1 957 . 3 1 1 A 87 87 LEU CA C 87 55.977 54.554 1.423 1
1 958 . 3 1 1 A 87 87 LEU CB C 87 42.126 42.277 -0.151 1
1 962 . 3 1 1 A 87 87 LEU N N 87 121.577 126.655 -5.078 1
1 963 . 3 1 1 A 88 88 ASN H H 88 8.705 8.964 -0.259 1
1 964 . 3 1 1 A 88 88 ASN HA H 88 4.717 4.845 -0.128 1
1 967 . 3 1 1 A 88 88 ASN C C 88 173.156 173.563 -0.407 1
1 968 . 3 1 1 A 88 88 ASN CA C 88 51.471 54.741 -3.270 1
1 969 . 3 1 1 A 88 88 ASN CB C 88 41.622 40.939 0.683 1
1 970 . 3 1 1 A 88 88 ASN N N 88 120.561 121.314 -0.753 1
1 971 . 3 1 1 A 89 89 ASP H H 89 8.482 7.885 0.597 1
1 972 . 3 1 1 A 89 89 ASP HA H 89 3.937 4.890 -0.953 1
1 975 . 3 1 1 A 89 89 ASP C C 89 178.751 175.889 2.862 1
1 976 . 3 1 1 A 89 89 ASP CA C 89 56.268 53.567 2.701 1
1 977 . 3 1 1 A 89 89 ASP CB C 89 40.380 43.510 -3.130 1
1 978 . 3 1 1 A 89 89 ASP N N 89 122.084 116.884 5.200 1
1 979 . 3 1 1 A 90 90 GLY H H 90 9.334 8.720 0.614 1
1 980 . 3 1 1 A 90 90 GLY HA2 H 90 4.314 3.881 0.433 1
1 981 . 3 1 1 A 90 90 GLY HA3 H 90 3.619 3.890 -0.271 1
1 982 . 3 1 1 A 90 90 GLY C C 90 174.907 174.358 0.549 1
1 983 . 3 1 1 A 90 90 GLY CA C 90 45.076 46.398 -1.322 1
1 984 . 3 1 1 A 90 90 GLY N N 90 117.218 113.379 3.839 1
1 985 . 3 1 1 A 91 91 ASP H H 91 7.987 8.218 -0.231 1
1 986 . 3 1 1 A 91 91 ASP HA H 91 4.745 4.835 -0.090 1
1 989 . 3 1 1 A 91 91 ASP C C 91 175.436 175.342 0.094 1
1 990 . 3 1 1 A 91 91 ASP CA C 91 55.954 53.674 2.280 1
1 991 . 3 1 1 A 91 91 ASP CB C 91 41.876 40.634 1.242 1
1 992 . 3 1 1 A 91 91 ASP N N 91 122.336 121.426 0.910 1
1 993 . 3 1 1 A 92 92 THR H H 92 8.227 8.384 -0.157 1
1 994 . 3 1 1 A 92 92 THR HA H 92 5.093 4.794 0.299 1
1 999 . 3 1 1 A 92 92 THR C C 92 173.702 173.553 0.149 1
1 1000 . 3 1 1 A 92 92 THR CA C 92 61.477 62.818 -1.341 1
1 1001 . 3 1 1 A 92 92 THR CB C 92 70.032 69.385 0.647 1
1 1003 . 3 1 1 A 92 92 THR N N 92 115.456 120.972 -5.516 1
1 1004 . 3 1 1 A 93 93 VAL H H 93 9.039 8.700 0.339 1
1 1005 . 3 1 1 A 93 93 VAL HA H 93 4.731 4.726 0.005 1
1 1013 . 3 1 1 A 93 93 VAL C C 93 173.391 173.591 -0.200 1
1 1014 . 3 1 1 A 93 93 VAL CA C 93 59.984 59.814 0.170 1
1 1015 . 3 1 1 A 93 93 VAL CB C 93 33.978 34.808 -0.830 1
1 1018 . 3 1 1 A 93 93 VAL N N 93 129.109 125.599 3.510 1
1 1019 . 3 1 1 A 94 94 GLU H H 94 9.012 8.296 0.716 1
1 1020 . 3 1 1 A 94 94 GLU HA H 94 4.941 4.943 -0.002 1
1 1025 . 3 1 1 A 94 94 GLU C C 94 173.669 175.068 -1.399 1
1 1026 . 3 1 1 A 94 94 GLU CA C 94 53.577 54.467 -0.890 1
1 1027 . 3 1 1 A 94 94 GLU CB C 94 32.853 32.800 0.053 1
1 1029 . 3 1 1 A 94 94 GLU N N 94 126.881 127.406 -0.525 1
1 1030 . 3 1 1 A 95 95 PHE H H 95 9.012 8.446 0.566 1
1 1031 . 3 1 1 A 95 95 PHE HA H 95 4.941 5.078 -0.137 1
1 1034 . 3 1 1 A 95 95 PHE C C 95 174.687 174.500 0.187 1
1 1035 . 3 1 1 A 95 95 PHE CA C 95 56.843 56.460 0.383 1
1 1036 . 3 1 1 A 95 95 PHE CB C 95 40.889 40.557 0.332 1
1 1037 . 3 1 1 A 95 95 PHE N N 95 122.718 120.306 2.412 1
1 1038 . 3 1 1 A 96 96 ILE H H 96 9.292 9.208 0.084 1
1 1039 . 3 1 1 A 96 96 ILE HA H 96 4.573 5.130 -0.557 1
1 1049 . 3 1 1 A 96 96 ILE C C 96 175.897 175.520 0.377 1
1 1050 . 3 1 1 A 96 96 ILE CA C 96 59.748 60.457 -0.709 1
1 1051 . 3 1 1 A 96 96 ILE CB C 96 40.938 38.916 2.022 1
1 1055 . 3 1 1 A 96 96 ILE N N 96 123.112 125.459 -2.347 1
1 1056 . 3 1 1 A 97 97 SER H H 97 8.245 9.387 -1.142 1
1 1057 . 3 1 1 A 97 97 SER HA H 97 4.800 4.475 0.325 1
1 1060 . 3 1 1 A 97 97 SER C C 97 175.130 173.830 1.300 1
1 1061 . 3 1 1 A 97 97 SER CA C 97 58.154 59.206 -1.052 1
1 1062 . 3 1 1 A 97 97 SER CB C 97 63.137 62.351 0.786 1
1 1063 . 3 1 1 A 97 97 SER N N 97 121.343 127.067 -5.724 1
1 1064 . 3 1 1 A 98 98 THR H H 98 8.181 8.928 -0.747 1
1 1065 . 3 1 1 A 98 98 THR HA H 98 4.549 4.388 0.161 1
1 1070 . 3 1 1 A 98 98 THR C C 98 174.729 175.166 -0.437 1
1 1071 . 3 1 1 A 98 98 THR CA C 98 61.603 64.632 -3.029 1
1 1072 . 3 1 1 A 98 98 THR CB C 98 69.890 69.665 0.225 1
1 1074 . 3 1 1 A 98 98 THR N N 98 116.451 122.642 -6.191 1
1 1075 . 3 1 1 A 99 99 LEU H H 99 8.033 7.396 0.637 1
1 1076 . 3 1 1 A 99 99 LEU HA H 99 4.234 4.368 -0.134 1
1 1086 . 3 1 1 A 99 99 LEU C C 99 177.349 176.064 1.285 1
1 1087 . 3 1 1 A 99 99 LEU CA C 99 55.517 54.356 1.161 1
1 1088 . 3 1 1 A 99 99 LEU CB C 99 41.996 41.956 0.040 1
1 1092 . 3 1 1 A 99 99 LEU N N 99 122.869 120.740 2.129 1
1 1093 . 3 1 1 A 100 100 HIS H H 100 8.558 9.085 -0.527 1
1 1094 . 3 1 1 A 100 100 HIS HA H 100 4.460 4.724 -0.264 1
1 1097 . 3 1 1 A 100 100 HIS C C 100 175.718 175.369 0.349 1
1 1098 . 3 1 1 A 100 100 HIS CA C 100 56.096 57.355 -1.259 1
1 1099 . 3 1 1 A 100 100 HIS CB C 100 29.709 31.811 -2.102 1
1 1100 . 3 1 1 A 100 100 HIS N N 100 120.437 126.881 -6.444 1
1 1101 . 3 1 1 A 101 101 GLY H H 101 8.477 7.630 0.847 1
1 1102 . 3 1 1 A 101 101 GLY HA2 H 101 3.888 4.058 -0.170 1
1 1103 . 3 1 1 A 101 101 GLY HA3 H 101 3.888 4.059 -0.171 1
1 1104 . 3 1 1 A 101 101 GLY C C 101 174.614 174.445 0.169 1
1 1105 . 3 1 1 A 101 101 GLY CA C 101 45.529 45.769 -0.240 1
1 1106 . 3 1 1 A 101 101 GLY N N 101 110.340 105.933 4.407 1
1 7 . 4 1 1 A 2 2 SER H H 2 8.206 8.638 -0.432 1
1 8 . 4 1 1 A 2 2 SER N N 2 126.498 117.840 8.658 1
1 9 . 4 1 1 A 3 3 ASN HA H 3 5.166 4.899 0.267 1
1 12 . 4 1 1 A 3 3 ASN C C 3 175.527 175.429 0.098 1
1 13 . 4 1 1 A 3 3 ASN CA C 3 51.466 54.649 -3.183 1
1 14 . 4 1 1 A 3 3 ASN CB C 3 39.931 40.459 -0.528 1
1 15 . 4 1 1 A 4 4 HIS H H 4 8.859 8.107 0.752 1
1 16 . 4 1 1 A 4 4 HIS HA H 4 4.165 4.583 -0.418 1
1 19 . 4 1 1 A 4 4 HIS C C 4 175.897 174.158 1.739 1
1 20 . 4 1 1 A 4 4 HIS CA C 4 56.644 58.214 -1.570 1
1 21 . 4 1 1 A 4 4 HIS CB C 4 30.122 28.618 1.504 1
1 22 . 4 1 1 A 4 4 HIS N N 4 120.656 117.210 3.446 1
1 23 . 4 1 1 A 5 5 ASN H H 5 8.263 8.594 -0.331 1
1 24 . 4 1 1 A 5 5 ASN HA H 5 4.274 5.045 -0.771 1
1 27 . 4 1 1 A 5 5 ASN C C 5 177.939 174.843 3.096 1
1 28 . 4 1 1 A 5 5 ASN CA C 5 57.261 53.979 3.282 1
1 29 . 4 1 1 A 5 5 ASN CB C 5 38.232 39.245 -1.013 1
1 30 . 4 1 1 A 5 5 ASN N N 5 121.699 119.601 2.098 1
1 31 . 4 1 1 A 6 6 HIS H H 6 9.675 8.168 1.507 1
1 32 . 4 1 1 A 6 6 HIS HA H 6 5.261 5.151 0.110 1
1 35 . 4 1 1 A 6 6 HIS C C 6 171.876 171.997 -0.121 1
1 36 . 4 1 1 A 6 6 HIS CA C 6 56.016 54.825 1.191 1
1 37 . 4 1 1 A 6 6 HIS CB C 6 31.324 31.865 -0.541 1
1 38 . 4 1 1 A 6 6 HIS N N 6 117.245 115.949 1.296 1
1 39 . 4 1 1 A 7 7 ILE H H 7 7.753 8.536 -0.783 1
1 40 . 4 1 1 A 7 7 ILE HA H 7 4.442 4.436 0.006 1
1 50 . 4 1 1 A 7 7 ILE C C 7 174.518 175.182 -0.664 1
1 51 . 4 1 1 A 7 7 ILE CA C 7 57.922 60.180 -2.258 1
1 52 . 4 1 1 A 7 7 ILE CB C 7 39.790 40.032 -0.242 1
1 56 . 4 1 1 A 7 7 ILE N N 7 126.114 124.417 1.697 1
1 57 . 4 1 1 A 8 8 THR H H 8 8.238 8.856 -0.618 1
1 58 . 4 1 1 A 8 8 THR HA H 8 4.733 4.785 -0.052 1
1 63 . 4 1 1 A 8 8 THR C C 8 172.672 172.683 -0.011 1
1 64 . 4 1 1 A 8 8 THR CA C 8 62.203 61.884 0.319 1
1 65 . 4 1 1 A 8 8 THR CB C 8 70.202 68.752 1.450 1
1 67 . 4 1 1 A 8 8 THR N N 8 123.879 123.263 0.616 1
1 68 . 4 1 1 A 9 9 VAL H H 9 8.717 8.613 0.104 1
1 69 . 4 1 1 A 9 9 VAL HA H 9 5.165 4.769 0.396 1
1 77 . 4 1 1 A 9 9 VAL C C 9 173.545 174.410 -0.865 1
1 78 . 4 1 1 A 9 9 VAL CA C 9 59.279 59.824 -0.545 1
1 79 . 4 1 1 A 9 9 VAL CB C 9 33.495 33.831 -0.336 1
1 82 . 4 1 1 A 9 9 VAL N N 9 124.808 126.564 -1.756 1
1 83 . 4 1 1 A 10 10 GLN H H 10 8.863 8.371 0.492 1
1 84 . 4 1 1 A 10 10 GLN HA H 10 4.841 4.724 0.117 1
1 87 . 4 1 1 A 10 10 GLN C C 10 173.774 173.636 0.138 1
1 88 . 4 1 1 A 10 10 GLN CA C 10 53.092 53.479 -0.387 1
1 89 . 4 1 1 A 10 10 GLN CB C 10 32.226 32.688 -0.462 1
1 91 . 4 1 1 A 10 10 GLN N N 10 123.709 125.371 -1.662 1
1 92 . 4 1 1 A 11 11 PHE H H 11 8.252 8.297 -0.045 1
1 93 . 4 1 1 A 11 11 PHE HA H 11 5.661 5.184 0.477 1
1 96 . 4 1 1 A 11 11 PHE C C 11 175.180 175.609 -0.429 1
1 97 . 4 1 1 A 11 11 PHE CA C 11 55.799 56.997 -1.198 1
1 98 . 4 1 1 A 11 11 PHE CB C 11 43.197 42.827 0.370 1
1 99 . 4 1 1 A 11 11 PHE N N 11 119.002 117.371 1.631 1
1 100 . 4 1 1 A 12 12 ALA H H 12 8.989 8.684 0.305 1
1 101 . 4 1 1 A 12 12 ALA HA H 12 4.971 4.609 0.362 1
1 105 . 4 1 1 A 12 12 ALA C C 12 179.413 177.840 1.573 1
1 106 . 4 1 1 A 12 12 ALA CA C 12 51.675 51.327 0.348 1
1 107 . 4 1 1 A 12 12 ALA CB C 12 23.716 20.782 2.934 1
1 108 . 4 1 1 A 12 12 ALA N N 12 123.388 124.813 -1.425 1
1 109 . 4 1 1 A 13 13 GLY H H 13 9.188 8.603 0.585 1
1 110 . 4 1 1 A 13 13 GLY HA2 H 13 4.477 3.795 0.682 1
1 111 . 4 1 1 A 13 13 GLY HA3 H 13 3.937 3.807 0.130 1
1 112 . 4 1 1 A 13 13 GLY C C 13 173.600 175.174 -1.574 1
1 113 . 4 1 1 A 13 13 GLY CA C 13 46.252 46.919 -0.667 1
1 114 . 4 1 1 A 13 13 GLY N N 13 110.134 106.731 3.403 1
1 115 . 4 1 1 A 14 14 GLY H H 14 9.510 8.570 0.940 1
1 116 . 4 1 1 A 14 14 GLY HA2 H 14 4.600 3.944 0.656 1
1 117 . 4 1 1 A 14 14 GLY HA3 H 14 3.453 3.947 -0.494 1
1 118 . 4 1 1 A 14 14 GLY C C 14 177.136 175.379 1.757 1
1 119 . 4 1 1 A 14 14 GLY CA C 14 44.792 45.238 -0.446 1
1 120 . 4 1 1 A 14 14 GLY N N 14 109.966 114.355 -4.389 1
1 121 . 4 1 1 A 15 15 CYS H H 15 7.748 7.935 -0.187 1
1 122 . 4 1 1 A 15 15 CYS HA H 15 3.883 4.479 -0.596 1
1 125 . 4 1 1 A 15 15 CYS C C 15 175.011 176.583 -1.572 1
1 126 . 4 1 1 A 15 15 CYS CA C 15 62.034 60.555 1.479 1
1 127 . 4 1 1 A 15 15 CYS N N 15 121.082 119.709 1.373 1
1 128 . 4 1 1 A 16 16 GLU H H 16 7.837 8.290 -0.453 1
1 129 . 4 1 1 A 16 16 GLU HA H 16 4.009 3.981 0.028 1
1 134 . 4 1 1 A 16 16 GLU C C 16 178.419 177.451 0.968 1
1 135 . 4 1 1 A 16 16 GLU CA C 16 58.599 58.847 -0.248 1
1 136 . 4 1 1 A 16 16 GLU CB C 16 27.745 28.295 -0.550 1
1 138 . 4 1 1 A 16 16 GLU N N 16 120.416 118.993 1.423 1
1 139 . 4 1 1 A 17 17 LEU H H 17 7.626 7.849 -0.223 1
1 140 . 4 1 1 A 17 17 LEU HA H 17 3.927 4.155 -0.228 1
1 150 . 4 1 1 A 17 17 LEU C C 17 178.349 177.583 0.766 1
1 151 . 4 1 1 A 17 17 LEU CA C 17 57.105 56.399 0.706 1
1 152 . 4 1 1 A 17 17 LEU CB C 17 40.474 41.577 -1.103 1
1 156 . 4 1 1 A 17 17 LEU N N 17 122.648 120.655 1.993 1
1 157 . 4 1 1 A 18 18 LEU H H 18 7.488 7.596 -0.108 1
1 158 . 4 1 1 A 18 18 LEU HA H 18 4.143 4.246 -0.103 1
1 168 . 4 1 1 A 18 18 LEU C C 18 175.859 176.494 -0.635 1
1 169 . 4 1 1 A 18 18 LEU CA C 18 55.729 54.751 0.978 1
1 170 . 4 1 1 A 18 18 LEU CB C 18 40.532 41.488 -0.956 1
1 174 . 4 1 1 A 18 18 LEU N N 18 117.565 117.532 0.033 1
1 175 . 4 1 1 A 19 19 PHE H H 19 7.164 7.610 -0.446 1
1 176 . 4 1 1 A 19 19 PHE HA H 19 4.395 4.974 -0.579 1
1 179 . 4 1 1 A 19 19 PHE C C 19 176.362 175.466 0.896 1
1 180 . 4 1 1 A 19 19 PHE CA C 19 56.373 58.953 -2.580 1
1 181 . 4 1 1 A 19 19 PHE CB C 19 39.143 41.010 -1.867 1
1 182 . 4 1 1 A 19 19 PHE N N 19 117.899 120.134 -2.235 1
1 183 . 4 1 1 A 20 20 ALA H H 20 8.780 7.459 1.321 1
1 184 . 4 1 1 A 20 20 ALA HA H 20 4.087 4.556 -0.469 1
1 188 . 4 1 1 A 20 20 ALA C C 20 176.512 177.479 -0.967 1
1 189 . 4 1 1 A 20 20 ALA CA C 20 53.279 51.494 1.785 1
1 190 . 4 1 1 A 20 20 ALA CB C 20 17.047 19.408 -2.361 1
1 191 . 4 1 1 A 20 20 ALA N N 20 123.417 119.806 3.611 1
1 192 . 4 1 1 A 21 21 LYS H H 21 7.825 7.988 -0.163 1
1 193 . 4 1 1 A 21 21 LYS HA H 21 3.181 3.804 -0.623 1
1 202 . 4 1 1 A 21 21 LYS C C 21 175.295 175.542 -0.247 1
1 203 . 4 1 1 A 21 21 LYS CA C 21 58.666 57.365 1.301 1
1 204 . 4 1 1 A 21 21 LYS CB C 21 29.784 29.660 0.124 1
1 208 . 4 1 1 A 21 21 LYS N N 21 108.448 112.452 -4.004 1
1 209 . 4 1 1 A 22 22 GLN H H 22 7.611 8.019 -0.408 1
1 210 . 4 1 1 A 22 22 GLN HA H 22 4.429 4.473 -0.044 1
1 215 . 4 1 1 A 22 22 GLN C C 22 174.967 176.354 -1.387 1
1 216 . 4 1 1 A 22 22 GLN CA C 22 56.105 55.800 0.305 1
1 217 . 4 1 1 A 22 22 GLN CB C 22 29.548 30.478 -0.930 1
1 219 . 4 1 1 A 22 22 GLN N N 22 120.482 118.275 2.207 1
1 220 . 4 1 1 A 23 23 THR H H 23 8.201 8.842 -0.641 1
1 221 . 4 1 1 A 23 23 THR HA H 23 4.491 4.602 -0.111 1
1 226 . 4 1 1 A 23 23 THR C C 23 175.012 174.919 0.093 1
1 227 . 4 1 1 A 23 23 THR CA C 23 62.436 62.455 -0.019 1
1 228 . 4 1 1 A 23 23 THR CB C 23 69.501 69.692 -0.191 1
1 229 . 4 1 1 A 23 23 THR N N 23 110.354 113.011 -2.657 1
1 230 . 4 1 1 A 24 24 SER H H 24 7.751 7.897 -0.146 1
1 231 . 4 1 1 A 24 24 SER HA H 24 5.136 4.897 0.239 1
1 234 . 4 1 1 A 24 24 SER C C 24 172.623 172.520 0.103 1
1 235 . 4 1 1 A 24 24 SER CA C 24 57.192 57.455 -0.263 1
1 236 . 4 1 1 A 24 24 SER CB C 24 65.459 65.559 -0.100 1
1 237 . 4 1 1 A 24 24 SER N N 24 114.575 113.241 1.334 1
1 238 . 4 1 1 A 25 25 LEU H H 25 9.272 8.858 0.414 1
1 239 . 4 1 1 A 25 25 LEU HA H 25 4.531 4.977 -0.446 1
1 249 . 4 1 1 A 25 25 LEU C C 25 174.436 175.666 -1.230 1
1 250 . 4 1 1 A 25 25 LEU CA C 25 53.929 53.733 0.196 1
1 251 . 4 1 1 A 25 25 LEU CB C 25 45.561 46.784 -1.223 1
1 255 . 4 1 1 A 25 25 LEU N N 25 124.288 122.474 1.814 1
1 256 . 4 1 1 A 26 26 GLN H H 26 8.573 8.609 -0.036 1
1 257 . 4 1 1 A 26 26 GLN HA H 26 4.607 5.359 -0.752 1
1 262 . 4 1 1 A 26 26 GLN C C 26 173.250 174.636 -1.386 1
1 263 . 4 1 1 A 26 26 GLN CA C 26 54.207 54.561 -0.354 1
1 264 . 4 1 1 A 26 26 GLN CB C 26 27.813 30.906 -3.093 1
1 266 . 4 1 1 A 26 26 GLN N N 26 122.971 120.788 2.183 1
1 267 . 4 1 1 A 27 27 LEU H H 27 8.753 8.813 -0.060 1
1 268 . 4 1 1 A 27 27 LEU HA H 27 4.414 4.835 -0.421 1
1 272 . 4 1 1 A 27 27 LEU C C 27 175.313 176.301 -0.988 1
1 273 . 4 1 1 A 27 27 LEU CA C 27 53.132 53.724 -0.592 1
1 274 . 4 1 1 A 27 27 LEU CB C 27 40.489 43.699 -3.210 1
1 278 . 4 1 1 A 27 27 LEU N N 27 126.504 126.607 -0.103 1
1 279 . 4 1 1 A 28 28 ASP H H 28 8.568 8.870 -0.302 1
1 280 . 4 1 1 A 28 28 ASP HA H 28 4.414 4.739 -0.325 1
1 283 . 4 1 1 A 28 28 ASP C C 28 176.147 177.055 -0.908 1
1 284 . 4 1 1 A 28 28 ASP CA C 28 53.407 54.479 -1.072 1
1 285 . 4 1 1 A 28 28 ASP CB C 28 40.535 41.241 -0.706 1
1 286 . 4 1 1 A 28 28 ASP N N 28 112.805 123.069 -10.264 1
1 287 . 4 1 1 A 29 29 GLY H H 29 7.770 8.860 -1.090 1
1 288 . 4 1 1 A 29 29 GLY HA2 H 29 3.942 3.826 0.116 1
1 289 . 4 1 1 A 29 29 GLY HA3 H 29 3.806 3.837 -0.031 1
1 290 . 4 1 1 A 29 29 GLY C C 29 174.455 174.944 -0.489 1
1 291 . 4 1 1 A 29 29 GLY CA C 29 47.297 47.394 -0.097 1
1 292 . 4 1 1 A 29 29 GLY N N 29 129.863 112.540 17.323 1
1 293 . 4 1 1 A 30 30 VAL H H 30 7.792 7.692 0.100 1
1 294 . 4 1 1 A 30 30 VAL HA H 30 4.391 3.707 0.684 1
1 302 . 4 1 1 A 30 30 VAL C C 30 174.315 174.628 -0.313 1
1 303 . 4 1 1 A 30 30 VAL CA C 30 62.180 65.382 -3.202 1
1 304 . 4 1 1 A 30 30 VAL CB C 30 35.931 30.024 5.907 1
1 307 . 4 1 1 A 30 30 VAL N N 30 112.711 114.490 -1.779 1
1 308 . 4 1 1 A 31 31 VAL H H 31 8.748 8.318 0.430 1
1 309 . 4 1 1 A 31 31 VAL C C 31 172.882 175.115 -2.233 1
1 310 . 4 1 1 A 31 31 VAL CA C 31 62.284 60.075 2.209 1
1 311 . 4 1 1 A 31 31 VAL CB C 31 33.804 32.351 1.453 1
1 312 . 4 1 1 A 31 31 VAL N N 31 123.316 119.147 4.169 1
1 313 . 4 1 1 A 32 32 PRO HA H 32 5.038 4.709 0.329 1
1 320 . 4 1 1 A 32 32 PRO C C 32 179.633 176.849 2.784 1
1 321 . 4 1 1 A 32 32 PRO CA C 32 63.073 63.923 -0.850 1
1 322 . 4 1 1 A 32 32 PRO CB C 32 32.421 32.674 -0.253 1
1 325 . 4 1 1 A 33 33 THR H H 33 8.739 8.150 0.589 1
1 326 . 4 1 1 A 33 33 THR HA H 33 3.896 3.976 -0.080 1
1 331 . 4 1 1 A 33 33 THR C C 33 174.735 176.009 -1.274 1
1 332 . 4 1 1 A 33 33 THR CA C 33 64.329 66.014 -1.685 1
1 333 . 4 1 1 A 33 33 THR CB C 33 67.929 68.108 -0.179 1
1 335 . 4 1 1 A 33 33 THR N N 33 120.858 115.201 5.657 1
1 336 . 4 1 1 A 34 34 GLY H H 34 8.303 7.987 0.316 1
1 337 . 4 1 1 A 34 34 GLY HA2 H 34 4.359 3.955 0.404 1
1 338 . 4 1 1 A 34 34 GLY HA3 H 34 3.451 3.956 -0.505 1
1 339 . 4 1 1 A 34 34 GLY C C 34 174.037 173.364 0.673 1
1 340 . 4 1 1 A 34 34 GLY CA C 34 45.067 45.505 -0.438 1
1 341 . 4 1 1 A 34 34 GLY N N 34 114.645 108.364 6.281 1
1 342 . 4 1 1 A 35 35 THR H H 35 7.405 7.526 -0.121 1
1 343 . 4 1 1 A 35 35 THR HA H 35 4.073 5.015 -0.942 1
1 348 . 4 1 1 A 35 35 THR C C 35 174.540 173.391 1.149 1
1 349 . 4 1 1 A 35 35 THR CA C 35 65.137 61.048 4.089 1
1 350 . 4 1 1 A 35 35 THR CB C 35 69.484 71.566 -2.082 1
1 352 . 4 1 1 A 35 35 THR N N 35 117.340 114.453 2.887 1
1 353 . 4 1 1 A 36 36 ASN H H 36 8.836 8.649 0.187 1
1 354 . 4 1 1 A 36 36 ASN HA H 36 5.686 5.304 0.382 1
1 357 . 4 1 1 A 36 36 ASN C C 36 176.512 175.872 0.640 1
1 358 . 4 1 1 A 36 36 ASN CA C 36 50.439 51.527 -1.088 1
1 359 . 4 1 1 A 36 36 ASN CB C 36 40.274 40.194 0.080 1
1 360 . 4 1 1 A 36 36 ASN N N 36 127.379 122.785 4.594 1
1 361 . 4 1 1 A 37 37 LEU H H 37 8.045 8.332 -0.287 1
1 362 . 4 1 1 A 37 37 LEU HA H 37 4.142 4.074 0.068 1
1 372 . 4 1 1 A 37 37 LEU C C 37 178.931 178.194 0.737 1
1 373 . 4 1 1 A 37 37 LEU CA C 37 59.274 58.745 0.529 1
1 374 . 4 1 1 A 37 37 LEU CB C 37 42.159 41.420 0.739 1
1 378 . 4 1 1 A 37 37 LEU N N 37 119.164 119.700 -0.536 1
1 379 . 4 1 1 A 38 38 ASN H H 38 7.959 8.144 -0.185 1
1 380 . 4 1 1 A 38 38 ASN HA H 38 4.502 4.411 0.091 1
1 383 . 4 1 1 A 38 38 ASN C C 38 178.691 178.146 0.545 1
1 384 . 4 1 1 A 38 38 ASN CA C 38 57.080 56.531 0.549 1
1 385 . 4 1 1 A 38 38 ASN CB C 38 38.367 38.885 -0.518 1
1 386 . 4 1 1 A 38 38 ASN N N 38 118.522 117.128 1.394 1
1 387 . 4 1 1 A 39 39 GLY H H 39 8.828 8.298 0.530 1
1 388 . 4 1 1 A 39 39 GLY HA2 H 39 4.088 3.695 0.393 1
1 389 . 4 1 1 A 39 39 GLY HA3 H 39 3.911 3.697 0.214 1
1 390 . 4 1 1 A 39 39 GLY C C 39 177.320 175.783 1.537 1
1 391 . 4 1 1 A 39 39 GLY CA C 39 46.879 47.210 -0.331 1
1 392 . 4 1 1 A 39 39 GLY N N 39 109.615 107.250 2.365 1
1 393 . 4 1 1 A 40 40 LEU H H 40 8.829 8.195 0.634 1
1 394 . 4 1 1 A 40 40 LEU HA H 40 4.504 4.092 0.412 1
1 404 . 4 1 1 A 40 40 LEU C C 40 177.788 178.889 -1.101 1
1 405 . 4 1 1 A 40 40 LEU CA C 40 57.770 58.093 -0.323 1
1 406 . 4 1 1 A 40 40 LEU CB C 40 41.713 42.186 -0.473 1
1 410 . 4 1 1 A 40 40 LEU N N 40 125.884 123.253 2.631 1
1 411 . 4 1 1 A 41 41 VAL H H 41 8.333 8.338 -0.005 1
1 412 . 4 1 1 A 41 41 VAL HA H 41 3.328 3.852 -0.524 1
1 420 . 4 1 1 A 41 41 VAL C C 41 177.556 177.908 -0.352 1
1 421 . 4 1 1 A 41 41 VAL CA C 41 67.977 65.569 2.408 1
1 422 . 4 1 1 A 41 41 VAL CB C 41 31.080 31.137 -0.057 1
1 425 . 4 1 1 A 41 41 VAL N N 41 120.213 114.868 5.345 1
1 426 . 4 1 1 A 42 42 GLN H H 42 7.672 8.043 -0.371 1
1 427 . 4 1 1 A 42 42 GLN HA H 42 3.866 4.182 -0.316 1
1 432 . 4 1 1 A 42 42 GLN C C 42 177.980 178.329 -0.349 1
1 433 . 4 1 1 A 42 42 GLN CA C 42 58.694 58.836 -0.142 1
1 434 . 4 1 1 A 42 42 GLN CB C 42 27.809 28.764 -0.955 1
1 436 . 4 1 1 A 42 42 GLN N N 42 116.386 121.487 -5.101 1
1 437 . 4 1 1 A 43 43 LEU H H 43 8.080 7.581 0.499 1
1 438 . 4 1 1 A 43 43 LEU HA H 43 4.225 4.161 0.064 1
1 448 . 4 1 1 A 43 43 LEU C C 43 179.999 178.347 1.652 1
1 449 . 4 1 1 A 43 43 LEU CA C 43 58.275 57.173 1.102 1
1 450 . 4 1 1 A 43 43 LEU CB C 43 43.046 41.387 1.659 1
1 454 . 4 1 1 A 43 43 LEU N N 43 122.204 121.353 0.851 1
1 455 . 4 1 1 A 44 44 LEU H H 44 8.810 8.126 0.684 1
1 456 . 4 1 1 A 44 44 LEU HA H 44 4.384 4.483 -0.099 1
1 466 . 4 1 1 A 44 44 LEU C C 44 179.311 178.862 0.449 1
1 467 . 4 1 1 A 44 44 LEU CA C 44 58.397 57.362 1.035 1
1 468 . 4 1 1 A 44 44 LEU CB C 44 41.553 42.512 -0.959 1
1 472 . 4 1 1 A 44 44 LEU N N 44 119.371 117.864 1.507 1
1 473 . 4 1 1 A 45 45 LYS H H 45 8.652 8.575 0.077 1
1 474 . 4 1 1 A 45 45 LYS HA H 45 3.678 4.134 -0.456 1
1 483 . 4 1 1 A 45 45 LYS C C 45 177.005 178.753 -1.748 1
1 484 . 4 1 1 A 45 45 LYS CA C 45 60.016 58.888 1.128 1
1 485 . 4 1 1 A 45 45 LYS CB C 45 32.411 32.586 -0.175 1
1 489 . 4 1 1 A 45 45 LYS N N 45 120.434 119.851 0.583 1
1 490 . 4 1 1 A 46 46 THR H H 46 8.180 8.240 -0.060 1
1 491 . 4 1 1 A 46 46 THR HA H 46 4.027 4.082 -0.055 1
1 496 . 4 1 1 A 46 46 THR C C 46 176.217 175.407 0.810 1
1 497 . 4 1 1 A 46 46 THR CA C 46 65.173 65.788 -0.615 1
1 498 . 4 1 1 A 46 46 THR CB C 46 69.680 68.609 1.071 1
1 500 . 4 1 1 A 46 46 THR N N 46 109.149 115.954 -6.805 1
1 501 . 4 1 1 A 47 47 ASN H H 47 8.170 7.778 0.392 1
1 502 . 4 1 1 A 47 47 ASN HA H 47 4.785 4.697 0.088 1
1 505 . 4 1 1 A 47 47 ASN C C 47 175.267 174.786 0.481 1
1 506 . 4 1 1 A 47 47 ASN CA C 47 54.213 53.955 0.258 1
1 507 . 4 1 1 A 47 47 ASN CB C 47 40.712 40.136 0.576 1
1 508 . 4 1 1 A 47 47 ASN N N 47 116.045 117.183 -1.138 1
1 509 . 4 1 1 A 48 48 TYR H H 48 8.094 7.938 0.156 1
1 510 . 4 1 1 A 48 48 TYR HA H 48 4.695 4.770 -0.075 1
1 513 . 4 1 1 A 48 48 TYR C C 48 175.011 176.043 -1.032 1
1 514 . 4 1 1 A 48 48 TYR CA C 48 60.273 56.239 4.034 1
1 515 . 4 1 1 A 48 48 TYR CB C 48 41.189 37.403 3.786 1
1 516 . 4 1 1 A 48 48 TYR N N 48 115.849 116.871 -1.022 1
1 517 . 4 1 1 A 49 49 VAL H H 49 7.769 7.446 0.323 1
1 518 . 4 1 1 A 49 49 VAL HA H 49 3.715 4.183 -0.468 1
1 526 . 4 1 1 A 49 49 VAL C C 49 176.157 175.814 0.343 1
1 527 . 4 1 1 A 49 49 VAL CA C 49 63.454 64.040 -0.586 1
1 528 . 4 1 1 A 49 49 VAL CB C 49 31.695 32.311 -0.616 1
1 531 . 4 1 1 A 49 49 VAL N N 49 120.510 120.843 -0.333 1
1 532 . 4 1 1 A 50 50 LYS H H 50 8.334 7.971 0.363 1
1 533 . 4 1 1 A 50 50 LYS HA H 50 4.242 3.895 0.347 1
1 542 . 4 1 1 A 50 50 LYS C C 50 176.562 175.064 1.498 1
1 543 . 4 1 1 A 50 50 LYS CA C 50 55.979 57.320 -1.341 1
1 544 . 4 1 1 A 50 50 LYS CB C 50 32.822 30.025 2.797 1
1 548 . 4 1 1 A 50 50 LYS N N 50 125.933 121.855 4.078 1
1 549 . 4 1 1 A 51 51 GLU H H 51 7.598 7.750 -0.152 1
1 550 . 4 1 1 A 51 51 GLU HA H 51 4.328 4.533 -0.205 1
1 553 . 4 1 1 A 51 51 GLU C C 51 172.975 173.756 -0.781 1
1 554 . 4 1 1 A 51 51 GLU CA C 51 55.074 55.334 -0.260 1
1 555 . 4 1 1 A 51 51 GLU CB C 51 32.633 32.571 0.062 1
1 557 . 4 1 1 A 51 51 GLU N N 51 117.804 119.267 -1.463 1
1 558 . 4 1 1 A 52 52 ARG H H 52 8.383 8.587 -0.204 1
1 559 . 4 1 1 A 52 52 ARG CA C 52 53.279 53.762 -0.483 1
1 560 . 4 1 1 A 52 52 ARG CB C 52 26.615 31.167 -4.552 1
1 561 . 4 1 1 A 52 52 ARG N N 52 111.793 121.656 -9.863 1
1 562 . 4 1 1 A 53 53 PRO HA H 53 4.029 4.305 -0.276 1
1 569 . 4 1 1 A 53 53 PRO C C 53 177.018 177.441 -0.423 1
1 570 . 4 1 1 A 53 53 PRO CA C 53 65.474 64.654 0.820 1
1 571 . 4 1 1 A 53 53 PRO CB C 53 30.916 31.902 -0.986 1
1 574 . 4 1 1 A 53 53 PRO N N 53 111.793 141.576 -29.783 1
1 575 . 4 1 1 A 54 54 ASP H H 54 8.462 8.540 -0.078 1
1 576 . 4 1 1 A 54 54 ASP HA H 54 4.345 4.745 -0.400 1
1 579 . 4 1 1 A 54 54 ASP C C 54 176.493 177.285 -0.792 1
1 580 . 4 1 1 A 54 54 ASP CA C 54 54.982 54.359 0.623 1
1 581 . 4 1 1 A 54 54 ASP CB C 54 39.451 41.319 -1.868 1
1 582 . 4 1 1 A 54 54 ASP N N 54 113.848 116.335 -2.487 1
1 583 . 4 1 1 A 55 55 LEU H H 55 7.766 7.925 -0.159 1
1 584 . 4 1 1 A 55 55 LEU HA H 55 4.235 4.238 -0.003 1
1 594 . 4 1 1 A 55 55 LEU C C 55 175.873 177.983 -2.110 1
1 595 . 4 1 1 A 55 55 LEU CA C 55 55.305 55.963 -0.658 1
1 596 . 4 1 1 A 55 55 LEU CB C 55 41.271 41.807 -0.536 1
1 600 . 4 1 1 A 55 55 LEU N N 55 117.721 116.464 1.257 1
1 601 . 4 1 1 A 56 56 LEU H H 56 7.630 7.608 0.022 1
1 602 . 4 1 1 A 56 56 LEU HA H 56 4.552 4.560 -0.008 1
1 612 . 4 1 1 A 56 56 LEU C C 56 175.341 177.087 -1.746 1
1 613 . 4 1 1 A 56 56 LEU CA C 56 55.516 55.487 0.029 1
1 614 . 4 1 1 A 56 56 LEU CB C 56 44.910 43.254 1.656 1
1 618 . 4 1 1 A 56 56 LEU N N 56 118.796 115.622 3.174 1
1 619 . 4 1 1 A 57 57 VAL H H 57 7.206 7.313 -0.107 1
1 620 . 4 1 1 A 57 57 VAL HA H 57 5.048 4.275 0.773 1
1 628 . 4 1 1 A 57 57 VAL C C 57 175.020 176.067 -1.047 1
1 629 . 4 1 1 A 57 57 VAL CA C 57 58.550 62.079 -3.529 1
1 630 . 4 1 1 A 57 57 VAL CB C 57 35.049 32.530 2.519 1
1 633 . 4 1 1 A 57 57 VAL N N 57 106.872 120.159 -13.287 1
1 634 . 4 1 1 A 58 58 ASP H H 58 8.447 8.925 -0.478 1
1 635 . 4 1 1 A 58 58 ASP HA H 58 4.459 4.345 0.114 1
1 638 . 4 1 1 A 58 58 ASP C C 58 177.406 176.869 0.537 1
1 639 . 4 1 1 A 58 58 ASP CA C 58 53.130 57.091 -3.961 1
1 640 . 4 1 1 A 58 58 ASP CB C 58 40.985 41.359 -0.374 1
1 641 . 4 1 1 A 58 58 ASP N N 58 118.741 123.916 -5.175 1
1 642 . 4 1 1 A 59 59 GLN H H 59 8.883 7.865 1.018 1
1 643 . 4 1 1 A 59 59 GLN HA H 59 4.031 4.604 -0.573 1
1 648 . 4 1 1 A 59 59 GLN C C 59 177.499 176.515 0.984 1
1 649 . 4 1 1 A 59 59 GLN CA C 59 59.120 57.176 1.944 1
1 650 . 4 1 1 A 59 59 GLN CB C 59 28.389 31.344 -2.955 1
1 652 . 4 1 1 A 59 59 GLN N N 59 119.603 117.030 2.573 1
1 653 . 4 1 1 A 60 60 THR H H 60 8.060 8.100 -0.040 1
1 654 . 4 1 1 A 60 60 THR HA H 60 4.296 4.444 -0.148 1
1 659 . 4 1 1 A 60 60 THR C C 60 176.363 175.219 1.144 1
1 660 . 4 1 1 A 60 60 THR CA C 60 63.358 62.001 1.357 1
1 661 . 4 1 1 A 60 60 THR CB C 60 70.577 69.336 1.241 1
1 663 . 4 1 1 A 60 60 THR N N 60 109.323 108.766 0.557 1
1 664 . 4 1 1 A 61 61 GLY H H 61 8.001 7.950 0.051 1
1 665 . 4 1 1 A 61 61 GLY HA2 H 61 4.173 3.895 0.278 1
1 666 . 4 1 1 A 61 61 GLY HA3 H 61 3.610 3.897 -0.287 1
1 667 . 4 1 1 A 61 61 GLY C C 61 174.049 174.444 -0.395 1
1 668 . 4 1 1 A 61 61 GLY CA C 61 45.301 46.387 -1.086 1
1 669 . 4 1 1 A 61 61 GLY N N 61 109.323 110.288 -0.965 1
1 670 . 4 1 1 A 62 62 GLN H H 62 8.091 7.918 0.173 1
1 671 . 4 1 1 A 62 62 GLN HA H 62 4.172 4.590 -0.418 1
1 674 . 4 1 1 A 62 62 GLN C C 62 175.201 174.755 0.446 1
1 675 . 4 1 1 A 62 62 GLN CA C 62 56.474 57.026 -0.552 1
1 676 . 4 1 1 A 62 62 GLN CB C 62 30.618 30.924 -0.306 1
1 678 . 4 1 1 A 62 62 GLN N N 62 117.247 120.199 -2.952 1
1 679 . 4 1 1 A 63 63 THR H H 63 7.740 7.959 -0.219 1
1 680 . 4 1 1 A 63 63 THR HA H 63 4.624 4.733 -0.109 1
1 685 . 4 1 1 A 63 63 THR C C 63 172.622 172.554 0.068 1
1 686 . 4 1 1 A 63 63 THR CA C 63 59.718 59.394 0.324 1
1 687 . 4 1 1 A 63 63 THR CB C 63 70.832 70.918 -0.086 1
1 689 . 4 1 1 A 63 63 THR N N 63 113.860 112.371 1.489 1
1 690 . 4 1 1 A 64 64 LEU H H 64 8.364 8.793 -0.429 1
1 691 . 4 1 1 A 64 64 LEU HA H 64 4.324 5.151 -0.827 1
1 701 . 4 1 1 A 64 64 LEU C C 64 176.311 176.678 -0.367 1
1 702 . 4 1 1 A 64 64 LEU CA C 64 55.025 53.183 1.842 1
1 703 . 4 1 1 A 64 64 LEU CB C 64 43.871 44.914 -1.043 1
1 707 . 4 1 1 A 64 64 LEU N N 64 123.689 123.334 0.355 1
1 708 . 4 1 1 A 65 65 ARG H H 65 8.192 9.040 -0.848 1
1 709 . 4 1 1 A 65 65 ARG C C 65 173.609 174.954 -1.345 1
1 710 . 4 1 1 A 65 65 ARG CA C 65 55.287 54.735 0.552 1
1 711 . 4 1 1 A 65 65 ARG CB C 65 29.681 30.580 -0.899 1
1 712 . 4 1 1 A 65 65 ARG N N 65 126.639 121.385 5.254 1
1 713 . 4 1 1 A 66 66 PRO HA H 66 4.390 4.293 0.097 1
1 720 . 4 1 1 A 66 66 PRO C C 66 177.030 177.412 -0.382 1
1 721 . 4 1 1 A 66 66 PRO CA C 66 63.719 63.701 0.018 1
1 722 . 4 1 1 A 66 66 PRO CB C 66 31.825 31.374 0.451 1
1 725 . 4 1 1 A 66 66 PRO N N 66 126.639 135.019 -8.380 1
1 726 . 4 1 1 A 67 67 GLY H H 67 8.744 8.945 -0.201 1
1 727 . 4 1 1 A 67 67 GLY HA2 H 67 4.232 3.993 0.239 1
1 728 . 4 1 1 A 67 67 GLY HA3 H 67 3.544 4.010 -0.466 1
1 729 . 4 1 1 A 67 67 GLY C C 67 174.319 174.756 -0.437 1
1 730 . 4 1 1 A 67 67 GLY CA C 67 44.818 45.443 -0.625 1
1 731 . 4 1 1 A 68 68 ILE H H 68 7.522 7.914 -0.392 1
1 732 . 4 1 1 A 68 68 ILE HA H 68 4.690 4.543 0.147 1
1 742 . 4 1 1 A 68 68 ILE C C 68 174.703 175.585 -0.882 1
1 743 . 4 1 1 A 68 68 ILE CA C 68 61.047 60.906 0.141 1
1 744 . 4 1 1 A 68 68 ILE CB C 68 38.090 38.010 0.080 1
1 748 . 4 1 1 A 68 68 ILE N N 68 121.049 121.441 -0.392 1
1 749 . 4 1 1 A 69 69 LEU H H 69 9.207 9.046 0.161 1
1 750 . 4 1 1 A 69 69 LEU HA H 69 4.449 5.088 -0.639 1
1 760 . 4 1 1 A 69 69 LEU C C 69 174.991 175.515 -0.524 1
1 761 . 4 1 1 A 69 69 LEU CA C 69 54.106 53.532 0.574 1
1 762 . 4 1 1 A 69 69 LEU CB C 69 43.588 44.103 -0.515 1
1 766 . 4 1 1 A 69 69 LEU N N 69 131.197 129.778 1.419 1
1 767 . 4 1 1 A 70 70 VAL H H 70 8.149 8.750 -0.601 1
1 768 . 4 1 1 A 70 70 VAL HA H 70 4.955 4.686 0.269 1
1 776 . 4 1 1 A 70 70 VAL C C 70 175.167 175.329 -0.162 1
1 777 . 4 1 1 A 70 70 VAL CA C 70 59.928 61.233 -1.305 1
1 778 . 4 1 1 A 70 70 VAL CB C 70 33.239 32.671 0.568 1
1 781 . 4 1 1 A 70 70 VAL N N 70 121.953 124.850 -2.897 1
1 782 . 4 1 1 A 71 71 LEU H H 71 8.881 8.205 0.676 1
1 783 . 4 1 1 A 71 71 LEU HA H 71 4.922 5.335 -0.413 1
1 793 . 4 1 1 A 71 71 LEU C C 71 176.487 175.449 1.038 1
1 794 . 4 1 1 A 71 71 LEU CA C 71 52.627 53.290 -0.663 1
1 795 . 4 1 1 A 71 71 LEU CB C 71 44.487 46.106 -1.619 1
1 799 . 4 1 1 A 71 71 LEU N N 71 126.071 126.347 -0.276 1
1 800 . 4 1 1 A 72 72 VAL H H 72 9.048 9.222 -0.174 1
1 801 . 4 1 1 A 72 72 VAL HA H 72 4.351 4.691 -0.340 1
1 809 . 4 1 1 A 72 72 VAL C C 72 176.078 175.732 0.346 1
1 810 . 4 1 1 A 72 72 VAL CA C 72 60.886 60.921 -0.035 1
1 811 . 4 1 1 A 72 72 VAL CB C 72 33.141 31.576 1.565 1
1 814 . 4 1 1 A 72 72 VAL N N 72 120.969 124.749 -3.780 1
1 815 . 4 1 1 A 73 73 ASN H H 73 9.630 9.426 0.204 1
1 816 . 4 1 1 A 73 73 ASN HA H 73 4.335 4.340 -0.005 1
1 821 . 4 1 1 A 73 73 ASN C C 73 175.496 174.533 0.963 1
1 822 . 4 1 1 A 73 73 ASN CA C 73 54.736 54.599 0.137 1
1 823 . 4 1 1 A 73 73 ASN CB C 73 36.825 36.827 -0.002 1
1 824 . 4 1 1 A 73 73 ASN N N 73 129.082 127.120 1.962 1
1 825 . 4 1 1 A 74 74 SER H H 74 9.308 8.473 0.835 1
1 826 . 4 1 1 A 74 74 SER C C 74 172.584 172.757 -0.173 1
1 827 . 4 1 1 A 74 74 SER N N 74 106.084 105.238 0.846 1
1 828 . 4 1 1 A 75 75 CYS H H 75 7.845 7.621 0.224 1
1 829 . 4 1 1 A 75 75 CYS C C 75 176.045 172.789 3.256 1
1 830 . 4 1 1 A 75 75 CYS CA C 75 57.152 58.323 -1.171 1
1 831 . 4 1 1 A 75 75 CYS CB C 75 29.101 31.461 -2.360 1
1 832 . 4 1 1 A 75 75 CYS N N 75 120.460 117.773 2.687 1
1 833 . 4 1 1 A 76 76 ASP H H 76 8.766 8.742 0.024 1
1 834 . 4 1 1 A 76 76 ASP HA H 76 4.295 4.519 -0.224 1
1 837 . 4 1 1 A 76 76 ASP C C 76 177.713 177.206 0.507 1
1 838 . 4 1 1 A 76 76 ASP CA C 76 55.721 54.991 0.730 1
1 839 . 4 1 1 A 76 76 ASP CB C 76 41.513 41.003 0.510 1
1 840 . 4 1 1 A 76 76 ASP N N 76 126.661 125.307 1.354 1
1 841 . 4 1 1 A 77 77 ALA H H 77 8.555 8.987 -0.432 1
1 842 . 4 1 1 A 77 77 ALA HA H 77 3.688 4.191 -0.503 1
1 846 . 4 1 1 A 77 77 ALA C C 77 180.149 179.130 1.019 1
1 847 . 4 1 1 A 77 77 ALA CA C 77 54.334 54.147 0.187 1
1 848 . 4 1 1 A 77 77 ALA CB C 77 18.453 18.543 -0.090 1
1 849 . 4 1 1 A 77 77 ALA N N 77 128.302 125.378 2.924 1
1 850 . 4 1 1 A 78 78 GLU H H 78 9.034 7.975 1.059 1
1 851 . 4 1 1 A 78 78 GLU HA H 78 3.763 4.146 -0.383 1
1 856 . 4 1 1 A 78 78 GLU C C 78 179.359 178.284 1.075 1
1 857 . 4 1 1 A 78 78 GLU CA C 78 59.569 58.810 0.759 1
1 858 . 4 1 1 A 78 78 GLU CB C 78 29.511 29.246 0.265 1
1 860 . 4 1 1 A 78 78 GLU N N 78 117.499 118.597 -1.098 1
1 861 . 4 1 1 A 79 79 VAL H H 79 7.753 7.829 -0.076 1
1 862 . 4 1 1 A 79 79 VAL HA H 79 3.927 3.766 0.161 1
1 870 . 4 1 1 A 79 79 VAL C C 79 177.408 177.359 0.049 1
1 871 . 4 1 1 A 79 79 VAL CA C 79 64.439 65.730 -1.291 1
1 872 . 4 1 1 A 79 79 VAL CB C 79 31.904 31.652 0.252 1
1 875 . 4 1 1 A 79 79 VAL N N 79 115.536 120.921 -5.385 1
1 876 . 4 1 1 A 80 80 VAL H H 80 7.123 7.106 0.017 1
1 877 . 4 1 1 A 80 80 VAL HA H 80 4.443 4.328 0.115 1
1 885 . 4 1 1 A 80 80 VAL C C 80 175.020 176.552 -1.532 1
1 886 . 4 1 1 A 80 80 VAL CA C 80 60.286 62.217 -1.931 1
1 887 . 4 1 1 A 80 80 VAL CB C 80 30.948 33.531 -2.583 1
1 890 . 4 1 1 A 80 80 VAL N N 80 109.738 111.556 -1.818 1
1 891 . 4 1 1 A 81 81 GLY H H 81 7.210 7.676 -0.466 1
1 892 . 4 1 1 A 81 81 GLY HA2 H 81 4.511 4.111 0.400 1
1 893 . 4 1 1 A 81 81 GLY HA3 H 81 3.664 4.114 -0.450 1
1 894 . 4 1 1 A 81 81 GLY C C 81 175.262 175.244 0.018 1
1 895 . 4 1 1 A 81 81 GLY CA C 81 44.964 45.882 -0.918 1
1 896 . 4 1 1 A 81 81 GLY N N 81 106.697 108.821 -2.124 1
1 897 . 4 1 1 A 82 82 GLY H H 82 8.673 8.521 0.152 1
1 898 . 4 1 1 A 82 82 GLY HA2 H 82 4.022 3.934 0.088 1
1 899 . 4 1 1 A 82 82 GLY HA3 H 82 3.150 3.941 -0.791 1
1 900 . 4 1 1 A 82 82 GLY C C 82 174.547 174.554 -0.007 1
1 901 . 4 1 1 A 82 82 GLY CA C 82 45.151 47.212 -2.061 1
1 902 . 4 1 1 A 82 82 GLY N N 82 111.931 110.663 1.268 1
1 903 . 4 1 1 A 83 83 MET H H 83 8.841 8.024 0.817 1
1 904 . 4 1 1 A 83 83 MET HA H 83 4.582 4.758 -0.176 1
1 909 . 4 1 1 A 83 83 MET C C 83 176.001 175.215 0.786 1
1 910 . 4 1 1 A 83 83 MET CA C 83 55.737 54.309 1.428 1
1 911 . 4 1 1 A 83 83 MET CB C 83 30.273 33.186 -2.913 1
1 913 . 4 1 1 A 83 83 MET N N 83 119.840 114.016 5.824 1
1 914 . 4 1 1 A 84 84 ASP H H 84 7.395 8.136 -0.741 1
1 915 . 4 1 1 A 84 84 ASP HA H 84 4.695 4.932 -0.237 1
1 918 . 4 1 1 A 84 84 ASP C C 84 176.694 174.664 2.030 1
1 919 . 4 1 1 A 84 84 ASP CA C 84 54.300 53.159 1.141 1
1 920 . 4 1 1 A 84 84 ASP CB C 84 41.551 41.914 -0.363 1
1 921 . 4 1 1 A 84 84 ASP N N 84 114.478 120.824 -6.346 1
1 922 . 4 1 1 A 85 85 TYR H H 85 7.930 8.084 -0.154 1
1 923 . 4 1 1 A 85 85 TYR HA H 85 4.148 4.846 -0.698 1
1 926 . 4 1 1 A 85 85 TYR C C 85 173.845 175.592 -1.747 1
1 927 . 4 1 1 A 85 85 TYR CA C 85 59.520 57.061 2.459 1
1 928 . 4 1 1 A 85 85 TYR CB C 85 38.105 39.310 -1.205 1
1 929 . 4 1 1 A 85 85 TYR N N 85 123.769 121.150 2.619 1
1 930 . 4 1 1 A 86 86 VAL H H 86 7.755 8.456 -0.701 1
1 931 . 4 1 1 A 86 86 VAL HA H 86 3.402 4.232 -0.830 1
1 939 . 4 1 1 A 86 86 VAL C C 86 173.896 175.594 -1.698 1
1 940 . 4 1 1 A 86 86 VAL CA C 86 62.779 61.597 1.182 1
1 941 . 4 1 1 A 86 86 VAL CB C 86 31.843 33.243 -1.400 1
1 944 . 4 1 1 A 86 86 VAL N N 86 130.130 124.513 5.617 1
1 945 . 4 1 1 A 87 87 LEU H H 87 7.069 7.869 -0.800 1
1 946 . 4 1 1 A 87 87 LEU HA H 87 3.833 5.197 -1.364 1
1 956 . 4 1 1 A 87 87 LEU C C 87 176.432 176.038 0.394 1
1 957 . 4 1 1 A 87 87 LEU CA C 87 55.977 53.162 2.815 1
1 958 . 4 1 1 A 87 87 LEU CB C 87 42.126 45.547 -3.421 1
1 962 . 4 1 1 A 87 87 LEU N N 87 121.577 122.632 -1.055 1
1 963 . 4 1 1 A 88 88 ASN H H 88 8.705 8.768 -0.063 1
1 964 . 4 1 1 A 88 88 ASN HA H 88 4.717 4.986 -0.269 1
1 967 . 4 1 1 A 88 88 ASN C C 88 173.156 175.139 -1.983 1
1 968 . 4 1 1 A 88 88 ASN CA C 88 51.471 54.024 -2.553 1
1 969 . 4 1 1 A 88 88 ASN CB C 88 41.622 40.161 1.461 1
1 970 . 4 1 1 A 88 88 ASN N N 88 120.561 117.306 3.255 1
1 971 . 4 1 1 A 89 89 ASP H H 89 8.482 7.722 0.760 1
1 972 . 4 1 1 A 89 89 ASP HA H 89 3.937 4.738 -0.801 1
1 975 . 4 1 1 A 89 89 ASP C C 89 178.751 175.605 3.146 1
1 976 . 4 1 1 A 89 89 ASP CA C 89 56.268 53.393 2.875 1
1 977 . 4 1 1 A 89 89 ASP CB C 89 40.380 41.676 -1.296 1
1 978 . 4 1 1 A 89 89 ASP N N 89 122.084 115.992 6.092 1
1 979 . 4 1 1 A 90 90 GLY H H 90 9.334 7.438 1.896 1
1 980 . 4 1 1 A 90 90 GLY HA2 H 90 4.314 3.881 0.433 1
1 981 . 4 1 1 A 90 90 GLY HA3 H 90 3.619 3.959 -0.340 1
1 982 . 4 1 1 A 90 90 GLY C C 90 174.907 173.690 1.217 1
1 983 . 4 1 1 A 90 90 GLY CA C 90 45.076 45.471 -0.395 1
1 984 . 4 1 1 A 90 90 GLY N N 90 117.218 106.640 10.578 1
1 985 . 4 1 1 A 91 91 ASP H H 91 7.987 7.993 -0.006 1
1 986 . 4 1 1 A 91 91 ASP HA H 91 4.745 4.784 -0.039 1
1 989 . 4 1 1 A 91 91 ASP C C 91 175.436 175.380 0.056 1
1 990 . 4 1 1 A 91 91 ASP CA C 91 55.954 53.936 2.018 1
1 991 . 4 1 1 A 91 91 ASP CB C 91 41.876 42.074 -0.198 1
1 992 . 4 1 1 A 91 91 ASP N N 91 122.336 121.382 0.954 1
1 993 . 4 1 1 A 92 92 THR H H 92 8.227 8.572 -0.345 1
1 994 . 4 1 1 A 92 92 THR HA H 92 5.093 5.243 -0.150 1
1 999 . 4 1 1 A 92 92 THR C C 92 173.702 173.136 0.566 1
1 1000 . 4 1 1 A 92 92 THR CA C 92 61.477 61.922 -0.445 1
1 1001 . 4 1 1 A 92 92 THR CB C 92 70.032 70.489 -0.457 1
1 1003 . 4 1 1 A 92 92 THR N N 92 115.456 118.691 -3.235 1
1 1004 . 4 1 1 A 93 93 VAL H H 93 9.039 9.059 -0.020 1
1 1005 . 4 1 1 A 93 93 VAL HA H 93 4.731 4.767 -0.036 1
1 1013 . 4 1 1 A 93 93 VAL C C 93 173.391 173.129 0.262 1
1 1014 . 4 1 1 A 93 93 VAL CA C 93 59.984 60.009 -0.025 1
1 1015 . 4 1 1 A 93 93 VAL CB C 93 33.978 34.825 -0.847 1
1 1018 . 4 1 1 A 93 93 VAL N N 93 129.109 125.217 3.892 1
1 1019 . 4 1 1 A 94 94 GLU H H 94 9.012 8.276 0.736 1
1 1020 . 4 1 1 A 94 94 GLU HA H 94 4.941 4.836 0.105 1
1 1025 . 4 1 1 A 94 94 GLU C C 94 173.669 174.786 -1.117 1
1 1026 . 4 1 1 A 94 94 GLU CA C 94 53.577 54.282 -0.705 1
1 1027 . 4 1 1 A 94 94 GLU CB C 94 32.853 33.356 -0.503 1
1 1029 . 4 1 1 A 94 94 GLU N N 94 126.881 126.799 0.082 1
1 1030 . 4 1 1 A 95 95 PHE H H 95 9.012 8.321 0.691 1
1 1031 . 4 1 1 A 95 95 PHE HA H 95 4.941 5.104 -0.163 1
1 1034 . 4 1 1 A 95 95 PHE C C 95 174.687 174.594 0.093 1
1 1035 . 4 1 1 A 95 95 PHE CA C 95 56.843 56.489 0.354 1
1 1036 . 4 1 1 A 95 95 PHE CB C 95 40.889 40.571 0.318 1
1 1037 . 4 1 1 A 95 95 PHE N N 95 122.718 120.570 2.148 1
1 1038 . 4 1 1 A 96 96 ILE H H 96 9.292 9.287 0.005 1
1 1039 . 4 1 1 A 96 96 ILE HA H 96 4.573 4.749 -0.176 1
1 1049 . 4 1 1 A 96 96 ILE C C 96 175.897 175.130 0.767 1
1 1050 . 4 1 1 A 96 96 ILE CA C 96 59.748 60.634 -0.886 1
1 1051 . 4 1 1 A 96 96 ILE CB C 96 40.938 39.612 1.326 1
1 1055 . 4 1 1 A 96 96 ILE N N 96 123.112 124.781 -1.669 1
1 1056 . 4 1 1 A 97 97 SER H H 97 8.245 9.050 -0.805 1
1 1057 . 4 1 1 A 97 97 SER HA H 97 4.800 4.844 -0.044 1
1 1060 . 4 1 1 A 97 97 SER C C 97 175.130 174.690 0.440 1
1 1061 . 4 1 1 A 97 97 SER CA C 97 58.154 59.015 -0.861 1
1 1062 . 4 1 1 A 97 97 SER CB C 97 63.137 63.769 -0.632 1
1 1063 . 4 1 1 A 97 97 SER N N 97 121.343 124.137 -2.794 1
1 1064 . 4 1 1 A 98 98 THR H H 98 8.181 8.684 -0.503 1
1 1065 . 4 1 1 A 98 98 THR HA H 98 4.549 4.482 0.067 1
1 1070 . 4 1 1 A 98 98 THR C C 98 174.729 174.776 -0.047 1
1 1071 . 4 1 1 A 98 98 THR CA C 98 61.603 62.262 -0.659 1
1 1072 . 4 1 1 A 98 98 THR CB C 98 69.890 69.969 -0.079 1
1 1074 . 4 1 1 A 98 98 THR N N 98 116.451 114.439 2.012 1
1 1075 . 4 1 1 A 99 99 LEU H H 99 8.033 7.735 0.298 1
1 1076 . 4 1 1 A 99 99 LEU HA H 99 4.234 4.624 -0.390 1
1 1086 . 4 1 1 A 99 99 LEU C C 99 177.349 176.323 1.026 1
1 1087 . 4 1 1 A 99 99 LEU CA C 99 55.517 53.711 1.806 1
1 1088 . 4 1 1 A 99 99 LEU CB C 99 41.996 44.094 -2.098 1
1 1092 . 4 1 1 A 99 99 LEU N N 99 122.869 120.634 2.235 1
1 1093 . 4 1 1 A 100 100 HIS H H 100 8.558 9.034 -0.476 1
1 1094 . 4 1 1 A 100 100 HIS HA H 100 4.460 4.783 -0.323 1
1 1097 . 4 1 1 A 100 100 HIS C C 100 175.718 175.067 0.651 1
1 1098 . 4 1 1 A 100 100 HIS CA C 100 56.096 55.144 0.952 1
1 1099 . 4 1 1 A 100 100 HIS CB C 100 29.709 30.812 -1.103 1
1 1100 . 4 1 1 A 100 100 HIS N N 100 120.437 119.553 0.884 1
1 1101 . 4 1 1 A 101 101 GLY H H 101 8.477 8.814 -0.337 1
1 1102 . 4 1 1 A 101 101 GLY HA2 H 101 3.888 3.836 0.052 1
1 1103 . 4 1 1 A 101 101 GLY HA3 H 101 3.888 3.847 0.041 1
1 1104 . 4 1 1 A 101 101 GLY C C 101 174.614 174.967 -0.353 1
1 1105 . 4 1 1 A 101 101 GLY CA C 101 45.529 46.627 -1.098 1
1 1106 . 4 1 1 A 101 101 GLY N N 101 110.340 114.173 -3.833 1
1 7 . 5 1 1 A 2 2 SER H H 2 8.206 8.029 0.177 1
1 8 . 5 1 1 A 2 2 SER N N 2 126.498 114.442 12.056 1
1 9 . 5 1 1 A 3 3 ASN HA H 3 5.166 5.367 -0.201 1
1 12 . 5 1 1 A 3 3 ASN C C 3 175.527 172.939 2.588 1
1 13 . 5 1 1 A 3 3 ASN CA C 3 51.466 51.610 -0.144 1
1 14 . 5 1 1 A 3 3 ASN CB C 3 39.931 42.505 -2.574 1
1 15 . 5 1 1 A 4 4 HIS H H 4 8.859 8.754 0.105 1
1 16 . 5 1 1 A 4 4 HIS HA H 4 4.165 5.000 -0.835 1
1 19 . 5 1 1 A 4 4 HIS C C 4 175.897 174.217 1.680 1
1 20 . 5 1 1 A 4 4 HIS CA C 4 56.644 53.555 3.089 1
1 21 . 5 1 1 A 4 4 HIS CB C 4 30.122 29.700 0.422 1
1 22 . 5 1 1 A 4 4 HIS N N 4 120.656 116.099 4.557 1
1 23 . 5 1 1 A 5 5 ASN H H 5 8.263 8.608 -0.345 1
1 24 . 5 1 1 A 5 5 ASN HA H 5 4.274 5.060 -0.786 1
1 27 . 5 1 1 A 5 5 ASN C C 5 177.939 174.832 3.107 1
1 28 . 5 1 1 A 5 5 ASN CA C 5 57.261 55.117 2.144 1
1 29 . 5 1 1 A 5 5 ASN CB C 5 38.232 37.604 0.628 1
1 30 . 5 1 1 A 5 5 ASN N N 5 121.699 114.802 6.897 1
1 31 . 5 1 1 A 6 6 HIS H H 6 9.675 8.616 1.059 1
1 32 . 5 1 1 A 6 6 HIS HA H 6 5.261 5.179 0.082 1
1 35 . 5 1 1 A 6 6 HIS C C 6 171.876 172.230 -0.354 1
1 36 . 5 1 1 A 6 6 HIS CA C 6 56.016 54.958 1.058 1
1 37 . 5 1 1 A 6 6 HIS CB C 6 31.324 31.973 -0.649 1
1 38 . 5 1 1 A 6 6 HIS N N 6 117.245 117.473 -0.228 1
1 39 . 5 1 1 A 7 7 ILE H H 7 7.753 8.885 -1.132 1
1 40 . 5 1 1 A 7 7 ILE HA H 7 4.442 4.515 -0.073 1
1 50 . 5 1 1 A 7 7 ILE C C 7 174.518 175.113 -0.595 1
1 51 . 5 1 1 A 7 7 ILE CA C 7 57.922 60.163 -2.241 1
1 52 . 5 1 1 A 7 7 ILE CB C 7 39.790 40.126 -0.336 1
1 56 . 5 1 1 A 7 7 ILE N N 7 126.114 124.292 1.822 1
1 57 . 5 1 1 A 8 8 THR H H 8 8.238 9.057 -0.819 1
1 58 . 5 1 1 A 8 8 THR HA H 8 4.733 4.931 -0.198 1
1 63 . 5 1 1 A 8 8 THR C C 8 172.672 173.519 -0.847 1
1 64 . 5 1 1 A 8 8 THR CA C 8 62.203 61.828 0.375 1
1 65 . 5 1 1 A 8 8 THR CB C 8 70.202 69.495 0.707 1
1 67 . 5 1 1 A 8 8 THR N N 8 123.879 122.316 1.563 1
1 68 . 5 1 1 A 9 9 VAL H H 9 8.717 8.175 0.542 1
1 69 . 5 1 1 A 9 9 VAL HA H 9 5.165 4.811 0.354 1
1 77 . 5 1 1 A 9 9 VAL C C 9 173.545 173.739 -0.194 1
1 78 . 5 1 1 A 9 9 VAL CA C 9 59.279 60.287 -1.008 1
1 79 . 5 1 1 A 9 9 VAL CB C 9 33.495 34.506 -1.011 1
1 82 . 5 1 1 A 9 9 VAL N N 9 124.808 125.205 -0.397 1
1 83 . 5 1 1 A 10 10 GLN H H 10 8.863 8.436 0.427 1
1 84 . 5 1 1 A 10 10 GLN HA H 10 4.841 5.119 -0.278 1
1 87 . 5 1 1 A 10 10 GLN C C 10 173.774 173.441 0.333 1
1 88 . 5 1 1 A 10 10 GLN CA C 10 53.092 53.535 -0.443 1
1 89 . 5 1 1 A 10 10 GLN CB C 10 32.226 32.694 -0.468 1
1 91 . 5 1 1 A 10 10 GLN N N 10 123.709 125.790 -2.081 1
1 92 . 5 1 1 A 11 11 PHE H H 11 8.252 8.556 -0.304 1
1 93 . 5 1 1 A 11 11 PHE HA H 11 5.661 5.593 0.068 1
1 96 . 5 1 1 A 11 11 PHE C C 11 175.180 175.044 0.136 1
1 97 . 5 1 1 A 11 11 PHE CA C 11 55.799 56.843 -1.044 1
1 98 . 5 1 1 A 11 11 PHE CB C 11 43.197 42.877 0.320 1
1 99 . 5 1 1 A 11 11 PHE N N 11 119.002 117.191 1.811 1
1 100 . 5 1 1 A 12 12 ALA H H 12 8.989 8.568 0.421 1
1 101 . 5 1 1 A 12 12 ALA HA H 12 4.971 5.064 -0.093 1
1 105 . 5 1 1 A 12 12 ALA C C 12 179.413 177.959 1.454 1
1 106 . 5 1 1 A 12 12 ALA CA C 12 51.675 51.195 0.480 1
1 107 . 5 1 1 A 12 12 ALA CB C 12 23.716 22.696 1.020 1
1 108 . 5 1 1 A 12 12 ALA N N 12 123.388 124.009 -0.621 1
1 109 . 5 1 1 A 13 13 GLY H H 13 9.188 8.801 0.387 1
1 110 . 5 1 1 A 13 13 GLY HA2 H 13 4.477 3.886 0.591 1
1 111 . 5 1 1 A 13 13 GLY HA3 H 13 3.937 3.898 0.039 1
1 112 . 5 1 1 A 13 13 GLY C C 13 173.600 175.081 -1.481 1
1 113 . 5 1 1 A 13 13 GLY CA C 13 46.252 47.247 -0.995 1
1 114 . 5 1 1 A 13 13 GLY N N 13 110.134 108.108 2.026 1
1 115 . 5 1 1 A 14 14 GLY H H 14 9.510 8.787 0.723 1
1 116 . 5 1 1 A 14 14 GLY HA2 H 14 4.600 4.061 0.539 1
1 117 . 5 1 1 A 14 14 GLY HA3 H 14 3.453 4.062 -0.609 1
1 118 . 5 1 1 A 14 14 GLY C C 14 177.136 174.820 2.316 1
1 119 . 5 1 1 A 14 14 GLY CA C 14 44.792 45.310 -0.518 1
1 120 . 5 1 1 A 14 14 GLY N N 14 109.966 113.509 -3.543 1
1 121 . 5 1 1 A 15 15 CYS H H 15 7.748 8.090 -0.342 1
1 122 . 5 1 1 A 15 15 CYS HA H 15 3.883 4.719 -0.836 1
1 125 . 5 1 1 A 15 15 CYS C C 15 175.011 175.790 -0.779 1
1 126 . 5 1 1 A 15 15 CYS CA C 15 62.034 59.683 2.351 1
1 127 . 5 1 1 A 15 15 CYS N N 15 121.082 117.921 3.161 1
1 128 . 5 1 1 A 16 16 GLU H H 16 7.837 8.253 -0.416 1
1 129 . 5 1 1 A 16 16 GLU HA H 16 4.009 4.013 -0.004 1
1 134 . 5 1 1 A 16 16 GLU C C 16 178.419 177.624 0.795 1
1 135 . 5 1 1 A 16 16 GLU CA C 16 58.599 58.247 0.352 1
1 136 . 5 1 1 A 16 16 GLU CB C 16 27.745 30.178 -2.433 1
1 138 . 5 1 1 A 16 16 GLU N N 16 120.416 118.416 2.000 1
1 139 . 5 1 1 A 17 17 LEU H H 17 7.626 8.058 -0.432 1
1 140 . 5 1 1 A 17 17 LEU HA H 17 3.927 4.179 -0.252 1
1 150 . 5 1 1 A 17 17 LEU C C 17 178.349 178.090 0.259 1
1 151 . 5 1 1 A 17 17 LEU CA C 17 57.105 56.312 0.793 1
1 152 . 5 1 1 A 17 17 LEU CB C 17 40.474 41.620 -1.146 1
1 156 . 5 1 1 A 17 17 LEU N N 17 122.648 120.584 2.064 1
1 157 . 5 1 1 A 18 18 LEU H H 18 7.488 7.904 -0.416 1
1 158 . 5 1 1 A 18 18 LEU HA H 18 4.143 4.263 -0.120 1
1 168 . 5 1 1 A 18 18 LEU C C 18 175.859 177.009 -1.150 1
1 169 . 5 1 1 A 18 18 LEU CA C 18 55.729 55.589 0.140 1
1 170 . 5 1 1 A 18 18 LEU CB C 18 40.532 40.863 -0.331 1
1 174 . 5 1 1 A 18 18 LEU N N 18 117.565 116.153 1.412 1
1 175 . 5 1 1 A 19 19 PHE H H 19 7.164 7.678 -0.514 1
1 176 . 5 1 1 A 19 19 PHE HA H 19 4.395 4.796 -0.401 1
1 179 . 5 1 1 A 19 19 PHE C C 19 176.362 175.572 0.790 1
1 180 . 5 1 1 A 19 19 PHE CA C 19 56.373 59.002 -2.629 1
1 181 . 5 1 1 A 19 19 PHE CB C 19 39.143 40.778 -1.635 1
1 182 . 5 1 1 A 19 19 PHE N N 19 117.899 118.807 -0.908 1
1 183 . 5 1 1 A 20 20 ALA H H 20 8.780 7.573 1.207 1
1 184 . 5 1 1 A 20 20 ALA HA H 20 4.087 4.516 -0.429 1
1 188 . 5 1 1 A 20 20 ALA C C 20 176.512 177.427 -0.915 1
1 189 . 5 1 1 A 20 20 ALA CA C 20 53.279 51.471 1.808 1
1 190 . 5 1 1 A 20 20 ALA CB C 20 17.047 19.353 -2.306 1
1 191 . 5 1 1 A 20 20 ALA N N 20 123.417 119.765 3.652 1
1 192 . 5 1 1 A 21 21 LYS H H 21 7.825 7.982 -0.157 1
1 193 . 5 1 1 A 21 21 LYS HA H 21 3.181 3.828 -0.647 1
1 202 . 5 1 1 A 21 21 LYS C C 21 175.295 175.171 0.124 1
1 203 . 5 1 1 A 21 21 LYS CA C 21 58.666 57.203 1.463 1
1 204 . 5 1 1 A 21 21 LYS CB C 21 29.784 29.732 0.052 1
1 208 . 5 1 1 A 21 21 LYS N N 21 108.448 112.576 -4.128 1
1 209 . 5 1 1 A 22 22 GLN H H 22 7.611 7.788 -0.177 1
1 210 . 5 1 1 A 22 22 GLN HA H 22 4.429 4.398 0.031 1
1 215 . 5 1 1 A 22 22 GLN C C 22 174.967 176.145 -1.178 1
1 216 . 5 1 1 A 22 22 GLN CA C 22 56.105 54.943 1.162 1
1 217 . 5 1 1 A 22 22 GLN CB C 22 29.548 29.566 -0.018 1
1 219 . 5 1 1 A 22 22 GLN N N 22 120.482 116.340 4.142 1
1 220 . 5 1 1 A 23 23 THR H H 23 8.201 8.852 -0.651 1
1 221 . 5 1 1 A 23 23 THR HA H 23 4.491 4.561 -0.070 1
1 226 . 5 1 1 A 23 23 THR C C 23 175.012 175.042 -0.030 1
1 227 . 5 1 1 A 23 23 THR CA C 23 62.436 62.066 0.370 1
1 228 . 5 1 1 A 23 23 THR CB C 23 69.501 69.477 0.024 1
1 229 . 5 1 1 A 23 23 THR N N 23 110.354 112.000 -1.646 1
1 230 . 5 1 1 A 24 24 SER H H 24 7.751 8.200 -0.449 1
1 231 . 5 1 1 A 24 24 SER HA H 24 5.136 5.188 -0.052 1
1 234 . 5 1 1 A 24 24 SER C C 24 172.623 173.171 -0.548 1
1 235 . 5 1 1 A 24 24 SER CA C 24 57.192 56.620 0.572 1
1 236 . 5 1 1 A 24 24 SER CB C 24 65.459 66.223 -0.764 1
1 237 . 5 1 1 A 24 24 SER N N 24 114.575 114.625 -0.050 1
1 238 . 5 1 1 A 25 25 LEU H H 25 9.272 9.314 -0.042 1
1 239 . 5 1 1 A 25 25 LEU HA H 25 4.531 5.038 -0.507 1
1 249 . 5 1 1 A 25 25 LEU C C 25 174.436 175.916 -1.480 1
1 250 . 5 1 1 A 25 25 LEU CA C 25 53.929 53.748 0.181 1
1 251 . 5 1 1 A 25 25 LEU CB C 25 45.561 46.558 -0.997 1
1 255 . 5 1 1 A 25 25 LEU N N 25 124.288 122.131 2.157 1
1 256 . 5 1 1 A 26 26 GLN H H 26 8.573 8.676 -0.103 1
1 257 . 5 1 1 A 26 26 GLN HA H 26 4.607 5.683 -1.076 1
1 262 . 5 1 1 A 26 26 GLN C C 26 173.250 174.361 -1.111 1
1 263 . 5 1 1 A 26 26 GLN CA C 26 54.207 54.082 0.125 1
1 264 . 5 1 1 A 26 26 GLN CB C 26 27.813 31.898 -4.085 1
1 266 . 5 1 1 A 26 26 GLN N N 26 122.971 121.115 1.856 1
1 267 . 5 1 1 A 27 27 LEU H H 27 8.753 8.991 -0.238 1
1 268 . 5 1 1 A 27 27 LEU HA H 27 4.414 4.922 -0.508 1
1 272 . 5 1 1 A 27 27 LEU C C 27 175.313 175.614 -0.301 1
1 273 . 5 1 1 A 27 27 LEU CA C 27 53.132 53.319 -0.187 1
1 274 . 5 1 1 A 27 27 LEU CB C 27 40.489 44.606 -4.117 1
1 278 . 5 1 1 A 27 27 LEU N N 27 126.504 128.574 -2.070 1
1 279 . 5 1 1 A 28 28 ASP H H 28 8.568 8.667 -0.099 1
1 280 . 5 1 1 A 28 28 ASP HA H 28 4.414 5.011 -0.597 1
1 283 . 5 1 1 A 28 28 ASP C C 28 176.147 176.505 -0.358 1
1 284 . 5 1 1 A 28 28 ASP CA C 28 53.407 52.726 0.681 1
1 285 . 5 1 1 A 28 28 ASP CB C 28 40.535 41.789 -1.254 1
1 286 . 5 1 1 A 28 28 ASP N N 28 112.805 121.678 -8.873 1
1 287 . 5 1 1 A 29 29 GLY H H 29 7.770 8.665 -0.895 1
1 288 . 5 1 1 A 29 29 GLY HA2 H 29 3.942 3.825 0.117 1
1 289 . 5 1 1 A 29 29 GLY HA3 H 29 3.806 3.828 -0.022 1
1 290 . 5 1 1 A 29 29 GLY C C 29 174.455 174.479 -0.024 1
1 291 . 5 1 1 A 29 29 GLY CA C 29 47.297 47.107 0.190 1
1 292 . 5 1 1 A 29 29 GLY N N 29 129.863 113.927 15.936 1
1 293 . 5 1 1 A 30 30 VAL H H 30 7.792 8.550 -0.758 1
1 294 . 5 1 1 A 30 30 VAL HA H 30 4.391 3.867 0.524 1
1 302 . 5 1 1 A 30 30 VAL C C 30 174.315 175.898 -1.583 1
1 303 . 5 1 1 A 30 30 VAL CA C 30 62.180 63.016 -0.836 1
1 304 . 5 1 1 A 30 30 VAL CB C 30 35.931 29.480 6.451 1
1 307 . 5 1 1 A 30 30 VAL N N 30 112.711 123.992 -11.281 1
1 308 . 5 1 1 A 31 31 VAL H H 31 8.748 8.516 0.232 1
1 309 . 5 1 1 A 31 31 VAL C C 31 172.882 176.486 -3.604 1
1 310 . 5 1 1 A 31 31 VAL CA C 31 62.284 63.122 -0.838 1
1 311 . 5 1 1 A 31 31 VAL CB C 31 33.804 29.508 4.296 1
1 312 . 5 1 1 A 31 31 VAL N N 31 123.316 122.043 1.273 1
1 313 . 5 1 1 A 32 32 PRO HA H 32 5.038 4.569 0.469 1
1 320 . 5 1 1 A 32 32 PRO C C 32 179.633 176.435 3.198 1
1 321 . 5 1 1 A 32 32 PRO CA C 32 63.073 64.050 -0.977 1
1 322 . 5 1 1 A 32 32 PRO CB C 32 32.421 32.495 -0.074 1
1 325 . 5 1 1 A 33 33 THR H H 33 8.739 7.780 0.959 1
1 326 . 5 1 1 A 33 33 THR HA H 33 3.896 4.459 -0.563 1
1 331 . 5 1 1 A 33 33 THR C C 33 174.735 175.707 -0.972 1
1 332 . 5 1 1 A 33 33 THR CA C 33 64.329 63.707 0.622 1
1 333 . 5 1 1 A 33 33 THR CB C 33 67.929 70.239 -2.310 1
1 335 . 5 1 1 A 33 33 THR N N 33 120.858 111.944 8.914 1
1 336 . 5 1 1 A 34 34 GLY H H 34 8.303 8.084 0.219 1
1 337 . 5 1 1 A 34 34 GLY HA2 H 34 4.359 3.846 0.513 1
1 338 . 5 1 1 A 34 34 GLY HA3 H 34 3.451 3.847 -0.396 1
1 339 . 5 1 1 A 34 34 GLY C C 34 174.037 173.229 0.808 1
1 340 . 5 1 1 A 34 34 GLY CA C 34 45.067 46.901 -1.834 1
1 341 . 5 1 1 A 34 34 GLY N N 34 114.645 108.219 6.426 1
1 342 . 5 1 1 A 35 35 THR H H 35 7.405 7.447 -0.042 1
1 343 . 5 1 1 A 35 35 THR HA H 35 4.073 4.853 -0.780 1
1 348 . 5 1 1 A 35 35 THR C C 35 174.540 174.093 0.447 1
1 349 . 5 1 1 A 35 35 THR CA C 35 65.137 61.051 4.086 1
1 350 . 5 1 1 A 35 35 THR CB C 35 69.484 72.621 -3.137 1
1 352 . 5 1 1 A 35 35 THR N N 35 117.340 113.423 3.917 1
1 353 . 5 1 1 A 36 36 ASN H H 36 8.836 8.445 0.391 1
1 354 . 5 1 1 A 36 36 ASN HA H 36 5.686 5.338 0.348 1
1 357 . 5 1 1 A 36 36 ASN C C 36 176.512 175.989 0.523 1
1 358 . 5 1 1 A 36 36 ASN CA C 36 50.439 50.759 -0.320 1
1 359 . 5 1 1 A 36 36 ASN CB C 36 40.274 40.183 0.091 1
1 360 . 5 1 1 A 36 36 ASN N N 36 127.379 122.363 5.016 1
1 361 . 5 1 1 A 37 37 LEU H H 37 8.045 8.505 -0.460 1
1 362 . 5 1 1 A 37 37 LEU HA H 37 4.142 4.085 0.057 1
1 372 . 5 1 1 A 37 37 LEU C C 37 178.931 178.173 0.758 1
1 373 . 5 1 1 A 37 37 LEU CA C 37 59.274 58.400 0.874 1
1 374 . 5 1 1 A 37 37 LEU CB C 37 42.159 41.353 0.806 1
1 378 . 5 1 1 A 37 37 LEU N N 37 119.164 120.048 -0.884 1
1 379 . 5 1 1 A 38 38 ASN H H 38 7.959 8.302 -0.343 1
1 380 . 5 1 1 A 38 38 ASN HA H 38 4.502 4.408 0.094 1
1 383 . 5 1 1 A 38 38 ASN C C 38 178.691 178.229 0.462 1
1 384 . 5 1 1 A 38 38 ASN CA C 38 57.080 56.496 0.584 1
1 385 . 5 1 1 A 38 38 ASN CB C 38 38.367 38.743 -0.376 1
1 386 . 5 1 1 A 38 38 ASN N N 38 118.522 117.216 1.306 1
1 387 . 5 1 1 A 39 39 GLY H H 39 8.828 8.330 0.498 1
1 388 . 5 1 1 A 39 39 GLY HA2 H 39 4.088 3.682 0.406 1
1 389 . 5 1 1 A 39 39 GLY HA3 H 39 3.911 3.684 0.227 1
1 390 . 5 1 1 A 39 39 GLY C C 39 177.320 175.558 1.762 1
1 391 . 5 1 1 A 39 39 GLY CA C 39 46.879 47.216 -0.337 1
1 392 . 5 1 1 A 39 39 GLY N N 39 109.615 107.334 2.281 1
1 393 . 5 1 1 A 40 40 LEU H H 40 8.829 7.996 0.833 1
1 394 . 5 1 1 A 40 40 LEU HA H 40 4.504 4.130 0.374 1
1 404 . 5 1 1 A 40 40 LEU C C 40 177.788 178.453 -0.665 1
1 405 . 5 1 1 A 40 40 LEU CA C 40 57.770 57.697 0.073 1
1 406 . 5 1 1 A 40 40 LEU CB C 40 41.713 41.949 -0.236 1
1 410 . 5 1 1 A 40 40 LEU N N 40 125.884 123.315 2.569 1
1 411 . 5 1 1 A 41 41 VAL H H 41 8.333 8.430 -0.097 1
1 412 . 5 1 1 A 41 41 VAL HA H 41 3.328 3.813 -0.485 1
1 420 . 5 1 1 A 41 41 VAL C C 41 177.556 177.715 -0.159 1
1 421 . 5 1 1 A 41 41 VAL CA C 41 67.977 65.539 2.438 1
1 422 . 5 1 1 A 41 41 VAL CB C 41 31.080 31.051 0.029 1
1 425 . 5 1 1 A 41 41 VAL N N 41 120.213 117.030 3.183 1
1 426 . 5 1 1 A 42 42 GLN H H 42 7.672 8.026 -0.354 1
1 427 . 5 1 1 A 42 42 GLN HA H 42 3.866 4.014 -0.148 1
1 432 . 5 1 1 A 42 42 GLN C C 42 177.980 178.167 -0.187 1
1 433 . 5 1 1 A 42 42 GLN CA C 42 58.694 58.888 -0.194 1
1 434 . 5 1 1 A 42 42 GLN CB C 42 27.809 28.701 -0.892 1
1 436 . 5 1 1 A 42 42 GLN N N 42 116.386 121.821 -5.435 1
1 437 . 5 1 1 A 43 43 LEU H H 43 8.080 7.439 0.641 1
1 438 . 5 1 1 A 43 43 LEU HA H 43 4.225 4.155 0.070 1
1 448 . 5 1 1 A 43 43 LEU C C 43 179.999 178.506 1.493 1
1 449 . 5 1 1 A 43 43 LEU CA C 43 58.275 57.857 0.418 1
1 450 . 5 1 1 A 43 43 LEU CB C 43 43.046 41.593 1.453 1
1 454 . 5 1 1 A 43 43 LEU N N 43 122.204 121.130 1.074 1
1 455 . 5 1 1 A 44 44 LEU H H 44 8.810 8.002 0.808 1
1 456 . 5 1 1 A 44 44 LEU HA H 44 4.384 4.414 -0.030 1
1 466 . 5 1 1 A 44 44 LEU C C 44 179.311 178.830 0.481 1
1 467 . 5 1 1 A 44 44 LEU CA C 44 58.397 56.888 1.509 1
1 468 . 5 1 1 A 44 44 LEU CB C 44 41.553 42.573 -1.020 1
1 472 . 5 1 1 A 44 44 LEU N N 44 119.371 117.410 1.961 1
1 473 . 5 1 1 A 45 45 LYS H H 45 8.652 8.816 -0.164 1
1 474 . 5 1 1 A 45 45 LYS HA H 45 3.678 4.168 -0.490 1
1 483 . 5 1 1 A 45 45 LYS C C 45 177.005 177.925 -0.920 1
1 484 . 5 1 1 A 45 45 LYS CA C 45 60.016 58.797 1.219 1
1 485 . 5 1 1 A 45 45 LYS CB C 45 32.411 32.865 -0.454 1
1 489 . 5 1 1 A 45 45 LYS N N 45 120.434 121.006 -0.572 1
1 490 . 5 1 1 A 46 46 THR H H 46 8.180 7.827 0.353 1
1 491 . 5 1 1 A 46 46 THR HA H 46 4.027 4.405 -0.378 1
1 496 . 5 1 1 A 46 46 THR C C 46 176.217 175.905 0.312 1
1 497 . 5 1 1 A 46 46 THR CA C 46 65.173 63.818 1.355 1
1 498 . 5 1 1 A 46 46 THR CB C 46 69.680 70.177 -0.497 1
1 500 . 5 1 1 A 46 46 THR N N 46 109.149 114.843 -5.694 1
1 501 . 5 1 1 A 47 47 ASN H H 47 8.170 7.883 0.287 1
1 502 . 5 1 1 A 47 47 ASN HA H 47 4.785 4.921 -0.136 1
1 505 . 5 1 1 A 47 47 ASN C C 47 175.267 175.589 -0.322 1
1 506 . 5 1 1 A 47 47 ASN CA C 47 54.213 53.965 0.248 1
1 507 . 5 1 1 A 47 47 ASN CB C 47 40.712 40.485 0.227 1
1 508 . 5 1 1 A 47 47 ASN N N 47 116.045 116.069 -0.024 1
1 509 . 5 1 1 A 48 48 TYR H H 48 8.094 7.850 0.244 1
1 510 . 5 1 1 A 48 48 TYR HA H 48 4.695 4.837 -0.142 1
1 513 . 5 1 1 A 48 48 TYR C C 48 175.011 174.732 0.279 1
1 514 . 5 1 1 A 48 48 TYR CA C 48 60.273 57.239 3.034 1
1 515 . 5 1 1 A 48 48 TYR CB C 48 41.189 38.803 2.386 1
1 516 . 5 1 1 A 48 48 TYR N N 48 115.849 117.169 -1.320 1
1 517 . 5 1 1 A 49 49 VAL H H 49 7.769 7.622 0.147 1
1 518 . 5 1 1 A 49 49 VAL HA H 49 3.715 4.671 -0.956 1
1 526 . 5 1 1 A 49 49 VAL C C 49 176.157 175.568 0.589 1
1 527 . 5 1 1 A 49 49 VAL CA C 49 63.454 59.891 3.563 1
1 528 . 5 1 1 A 49 49 VAL CB C 49 31.695 34.054 -2.359 1
1 531 . 5 1 1 A 49 49 VAL N N 49 120.510 122.117 -1.607 1
1 532 . 5 1 1 A 50 50 LYS H H 50 8.334 8.579 -0.245 1
1 533 . 5 1 1 A 50 50 LYS HA H 50 4.242 4.498 -0.256 1
1 542 . 5 1 1 A 50 50 LYS C C 50 176.562 175.351 1.211 1
1 543 . 5 1 1 A 50 50 LYS CA C 50 55.979 55.435 0.544 1
1 544 . 5 1 1 A 50 50 LYS CB C 50 32.822 32.968 -0.146 1
1 548 . 5 1 1 A 50 50 LYS N N 50 125.933 126.259 -0.326 1
1 549 . 5 1 1 A 51 51 GLU H H 51 7.598 7.682 -0.084 1
1 550 . 5 1 1 A 51 51 GLU HA H 51 4.328 4.537 -0.209 1
1 553 . 5 1 1 A 51 51 GLU C C 51 172.975 174.915 -1.940 1
1 554 . 5 1 1 A 51 51 GLU CA C 51 55.074 55.327 -0.253 1
1 555 . 5 1 1 A 51 51 GLU CB C 51 32.633 33.047 -0.414 1
1 557 . 5 1 1 A 51 51 GLU N N 51 117.804 119.327 -1.523 1
1 558 . 5 1 1 A 52 52 ARG H H 52 8.383 8.441 -0.058 1
1 559 . 5 1 1 A 52 52 ARG CA C 52 53.279 54.379 -1.100 1
1 560 . 5 1 1 A 52 52 ARG CB C 52 26.615 30.510 -3.895 1
1 561 . 5 1 1 A 52 52 ARG N N 52 111.793 121.867 -10.074 1
1 562 . 5 1 1 A 53 53 PRO HA H 53 4.029 4.280 -0.251 1
1 569 . 5 1 1 A 53 53 PRO C C 53 177.018 177.497 -0.479 1
1 570 . 5 1 1 A 53 53 PRO CA C 53 65.474 64.905 0.569 1
1 571 . 5 1 1 A 53 53 PRO CB C 53 30.916 32.035 -1.119 1
1 574 . 5 1 1 A 53 53 PRO N N 53 111.793 141.119 -29.326 1
1 575 . 5 1 1 A 54 54 ASP H H 54 8.462 8.553 -0.091 1
1 576 . 5 1 1 A 54 54 ASP HA H 54 4.345 4.628 -0.283 1
1 579 . 5 1 1 A 54 54 ASP C C 54 176.493 177.481 -0.988 1
1 580 . 5 1 1 A 54 54 ASP CA C 54 54.982 54.424 0.558 1
1 581 . 5 1 1 A 54 54 ASP CB C 54 39.451 41.289 -1.838 1
1 582 . 5 1 1 A 54 54 ASP N N 54 113.848 116.838 -2.990 1
1 583 . 5 1 1 A 55 55 LEU H H 55 7.766 7.976 -0.210 1
1 584 . 5 1 1 A 55 55 LEU HA H 55 4.235 4.242 -0.007 1
1 594 . 5 1 1 A 55 55 LEU C C 55 175.873 177.991 -2.118 1
1 595 . 5 1 1 A 55 55 LEU CA C 55 55.305 56.644 -1.339 1
1 596 . 5 1 1 A 55 55 LEU CB C 55 41.271 42.089 -0.818 1
1 600 . 5 1 1 A 55 55 LEU N N 55 117.721 117.057 0.664 1
1 601 . 5 1 1 A 56 56 LEU H H 56 7.630 7.576 0.054 1
1 602 . 5 1 1 A 56 56 LEU HA H 56 4.552 4.563 -0.011 1
1 612 . 5 1 1 A 56 56 LEU C C 56 175.341 177.088 -1.747 1
1 613 . 5 1 1 A 56 56 LEU CA C 56 55.516 55.459 0.057 1
1 614 . 5 1 1 A 56 56 LEU CB C 56 44.910 43.266 1.644 1
1 618 . 5 1 1 A 56 56 LEU N N 56 118.796 115.583 3.213 1
1 619 . 5 1 1 A 57 57 VAL H H 57 7.206 6.820 0.386 1
1 620 . 5 1 1 A 57 57 VAL HA H 57 5.048 4.221 0.827 1
1 628 . 5 1 1 A 57 57 VAL C C 57 175.020 175.963 -0.943 1
1 629 . 5 1 1 A 57 57 VAL CA C 57 58.550 62.091 -3.541 1
1 630 . 5 1 1 A 57 57 VAL CB C 57 35.049 32.603 2.446 1
1 633 . 5 1 1 A 57 57 VAL N N 57 106.872 120.134 -13.262 1
1 634 . 5 1 1 A 58 58 ASP H H 58 8.447 9.524 -1.077 1
1 635 . 5 1 1 A 58 58 ASP HA H 58 4.459 4.329 0.130 1
1 638 . 5 1 1 A 58 58 ASP C C 58 177.406 177.205 0.201 1
1 639 . 5 1 1 A 58 58 ASP CA C 58 53.130 56.791 -3.661 1
1 640 . 5 1 1 A 58 58 ASP CB C 58 40.985 41.442 -0.457 1
1 641 . 5 1 1 A 58 58 ASP N N 58 118.741 124.137 -5.396 1
1 642 . 5 1 1 A 59 59 GLN H H 59 8.883 8.044 0.839 1
1 643 . 5 1 1 A 59 59 GLN HA H 59 4.031 4.541 -0.510 1
1 648 . 5 1 1 A 59 59 GLN C C 59 177.499 176.873 0.626 1
1 649 . 5 1 1 A 59 59 GLN CA C 59 59.120 57.063 2.057 1
1 650 . 5 1 1 A 59 59 GLN CB C 59 28.389 31.610 -3.221 1
1 652 . 5 1 1 A 59 59 GLN N N 59 119.603 115.553 4.050 1
1 653 . 5 1 1 A 60 60 THR H H 60 8.060 8.086 -0.026 1
1 654 . 5 1 1 A 60 60 THR HA H 60 4.296 4.413 -0.117 1
1 659 . 5 1 1 A 60 60 THR C C 60 176.363 175.324 1.039 1
1 660 . 5 1 1 A 60 60 THR CA C 60 63.358 62.352 1.006 1
1 661 . 5 1 1 A 60 60 THR CB C 60 70.577 69.263 1.314 1
1 663 . 5 1 1 A 60 60 THR N N 60 109.323 108.960 0.363 1
1 664 . 5 1 1 A 61 61 GLY H H 61 8.001 8.006 -0.005 1
1 665 . 5 1 1 A 61 61 GLY HA2 H 61 4.173 3.891 0.282 1
1 666 . 5 1 1 A 61 61 GLY HA3 H 61 3.610 3.891 -0.281 1
1 667 . 5 1 1 A 61 61 GLY C C 61 174.049 174.436 -0.387 1
1 668 . 5 1 1 A 61 61 GLY CA C 61 45.301 46.429 -1.128 1
1 669 . 5 1 1 A 61 61 GLY N N 61 109.323 110.754 -1.431 1
1 670 . 5 1 1 A 62 62 GLN H H 62 8.091 7.862 0.229 1
1 671 . 5 1 1 A 62 62 GLN HA H 62 4.172 4.545 -0.373 1
1 674 . 5 1 1 A 62 62 GLN C C 62 175.201 175.028 0.173 1
1 675 . 5 1 1 A 62 62 GLN CA C 62 56.474 57.053 -0.579 1
1 676 . 5 1 1 A 62 62 GLN CB C 62 30.618 30.967 -0.349 1
1 678 . 5 1 1 A 62 62 GLN N N 62 117.247 120.217 -2.970 1
1 679 . 5 1 1 A 63 63 THR H H 63 7.740 7.853 -0.113 1
1 680 . 5 1 1 A 63 63 THR HA H 63 4.624 4.842 -0.218 1
1 685 . 5 1 1 A 63 63 THR C C 63 172.622 173.128 -0.506 1
1 686 . 5 1 1 A 63 63 THR CA C 63 59.718 59.514 0.204 1
1 687 . 5 1 1 A 63 63 THR CB C 63 70.832 72.223 -1.391 1
1 689 . 5 1 1 A 63 63 THR N N 63 113.860 112.088 1.772 1
1 690 . 5 1 1 A 64 64 LEU H H 64 8.364 8.648 -0.284 1
1 691 . 5 1 1 A 64 64 LEU HA H 64 4.324 4.608 -0.284 1
1 701 . 5 1 1 A 64 64 LEU C C 64 176.311 177.281 -0.970 1
1 702 . 5 1 1 A 64 64 LEU CA C 64 55.025 54.705 0.320 1
1 703 . 5 1 1 A 64 64 LEU CB C 64 43.871 42.408 1.463 1
1 707 . 5 1 1 A 64 64 LEU N N 64 123.689 124.956 -1.267 1
1 708 . 5 1 1 A 65 65 ARG H H 65 8.192 9.049 -0.857 1
1 709 . 5 1 1 A 65 65 ARG C C 65 173.609 176.668 -3.059 1
1 710 . 5 1 1 A 65 65 ARG CA C 65 55.287 55.232 0.055 1
1 711 . 5 1 1 A 65 65 ARG CB C 65 29.681 30.337 -0.656 1
1 712 . 5 1 1 A 65 65 ARG N N 65 126.639 121.532 5.107 1
1 713 . 5 1 1 A 66 66 PRO HA H 66 4.390 4.245 0.145 1
1 720 . 5 1 1 A 66 66 PRO C C 66 177.030 178.759 -1.729 1
1 721 . 5 1 1 A 66 66 PRO CA C 66 63.719 65.474 -1.755 1
1 722 . 5 1 1 A 66 66 PRO CB C 66 31.825 31.798 0.027 1
1 725 . 5 1 1 A 66 66 PRO N N 66 126.639 136.580 -9.941 1
1 726 . 5 1 1 A 67 67 GLY H H 67 8.744 8.555 0.189 1
1 727 . 5 1 1 A 67 67 GLY HA2 H 67 4.232 3.960 0.272 1
1 728 . 5 1 1 A 67 67 GLY HA3 H 67 3.544 3.966 -0.422 1
1 729 . 5 1 1 A 67 67 GLY C C 67 174.319 174.641 -0.322 1
1 730 . 5 1 1 A 67 67 GLY CA C 67 44.818 47.123 -2.305 1
1 731 . 5 1 1 A 68 68 ILE H H 68 7.522 7.900 -0.378 1
1 732 . 5 1 1 A 68 68 ILE HA H 68 4.690 4.805 -0.115 1
1 742 . 5 1 1 A 68 68 ILE C C 68 174.703 175.161 -0.458 1
1 743 . 5 1 1 A 68 68 ILE CA C 68 61.047 60.226 0.821 1
1 744 . 5 1 1 A 68 68 ILE CB C 68 38.090 39.446 -1.356 1
1 748 . 5 1 1 A 68 68 ILE N N 68 121.049 120.050 0.999 1
1 749 . 5 1 1 A 69 69 LEU H H 69 9.207 8.642 0.565 1
1 750 . 5 1 1 A 69 69 LEU HA H 69 4.449 5.022 -0.573 1
1 760 . 5 1 1 A 69 69 LEU C C 69 174.991 175.627 -0.636 1
1 761 . 5 1 1 A 69 69 LEU CA C 69 54.106 53.633 0.473 1
1 762 . 5 1 1 A 69 69 LEU CB C 69 43.588 43.530 0.058 1
1 766 . 5 1 1 A 69 69 LEU N N 69 131.197 126.408 4.789 1
1 767 . 5 1 1 A 70 70 VAL H H 70 8.149 8.806 -0.657 1
1 768 . 5 1 1 A 70 70 VAL HA H 70 4.955 4.815 0.140 1
1 776 . 5 1 1 A 70 70 VAL C C 70 175.167 174.968 0.199 1
1 777 . 5 1 1 A 70 70 VAL CA C 70 59.928 61.020 -1.092 1
1 778 . 5 1 1 A 70 70 VAL CB C 70 33.239 33.190 0.049 1
1 781 . 5 1 1 A 70 70 VAL N N 70 121.953 122.001 -0.048 1
1 782 . 5 1 1 A 71 71 LEU H H 71 8.881 8.307 0.574 1
1 783 . 5 1 1 A 71 71 LEU HA H 71 4.922 5.037 -0.115 1
1 793 . 5 1 1 A 71 71 LEU C C 71 176.487 175.473 1.014 1
1 794 . 5 1 1 A 71 71 LEU CA C 71 52.627 53.061 -0.434 1
1 795 . 5 1 1 A 71 71 LEU CB C 71 44.487 44.928 -0.441 1
1 799 . 5 1 1 A 71 71 LEU N N 71 126.071 126.712 -0.641 1
1 800 . 5 1 1 A 72 72 VAL H H 72 9.048 9.283 -0.235 1
1 801 . 5 1 1 A 72 72 VAL HA H 72 4.351 4.605 -0.254 1
1 809 . 5 1 1 A 72 72 VAL C C 72 176.078 175.679 0.399 1
1 810 . 5 1 1 A 72 72 VAL CA C 72 60.886 60.860 0.026 1
1 811 . 5 1 1 A 72 72 VAL CB C 72 33.141 31.075 2.066 1
1 814 . 5 1 1 A 72 72 VAL N N 72 120.969 125.127 -4.158 1
1 815 . 5 1 1 A 73 73 ASN H H 73 9.630 9.349 0.281 1
1 816 . 5 1 1 A 73 73 ASN HA H 73 4.335 4.323 0.012 1
1 821 . 5 1 1 A 73 73 ASN C C 73 175.496 175.193 0.303 1
1 822 . 5 1 1 A 73 73 ASN CA C 73 54.736 54.577 0.159 1
1 823 . 5 1 1 A 73 73 ASN CB C 73 36.825 36.783 0.042 1
1 824 . 5 1 1 A 73 73 ASN N N 73 129.082 127.015 2.067 1
1 825 . 5 1 1 A 74 74 SER H H 74 9.308 8.467 0.841 1
1 826 . 5 1 1 A 74 74 SER C C 74 172.584 173.200 -0.616 1
1 827 . 5 1 1 A 74 74 SER N N 74 106.084 110.610 -4.526 1
1 828 . 5 1 1 A 75 75 CYS H H 75 7.845 7.625 0.220 1
1 829 . 5 1 1 A 75 75 CYS C C 75 176.045 172.885 3.160 1
1 830 . 5 1 1 A 75 75 CYS CA C 75 57.152 58.275 -1.123 1
1 831 . 5 1 1 A 75 75 CYS CB C 75 29.101 30.857 -1.756 1
1 832 . 5 1 1 A 75 75 CYS N N 75 120.460 118.757 1.703 1
1 833 . 5 1 1 A 76 76 ASP H H 76 8.766 8.693 0.073 1
1 834 . 5 1 1 A 76 76 ASP HA H 76 4.295 4.530 -0.235 1
1 837 . 5 1 1 A 76 76 ASP C C 76 177.713 177.501 0.212 1
1 838 . 5 1 1 A 76 76 ASP CA C 76 55.721 54.947 0.774 1
1 839 . 5 1 1 A 76 76 ASP CB C 76 41.513 40.885 0.628 1
1 840 . 5 1 1 A 76 76 ASP N N 76 126.661 126.504 0.157 1
1 841 . 5 1 1 A 77 77 ALA H H 77 8.555 8.717 -0.162 1
1 842 . 5 1 1 A 77 77 ALA HA H 77 3.688 4.109 -0.421 1
1 846 . 5 1 1 A 77 77 ALA C C 77 180.149 179.321 0.828 1
1 847 . 5 1 1 A 77 77 ALA CA C 77 54.334 54.413 -0.079 1
1 848 . 5 1 1 A 77 77 ALA CB C 77 18.453 18.368 0.085 1
1 849 . 5 1 1 A 77 77 ALA N N 77 128.302 125.217 3.085 1
1 850 . 5 1 1 A 78 78 GLU H H 78 9.034 7.840 1.194 1
1 851 . 5 1 1 A 78 78 GLU HA H 78 3.763 4.116 -0.353 1
1 856 . 5 1 1 A 78 78 GLU C C 78 179.359 179.281 0.078 1
1 857 . 5 1 1 A 78 78 GLU CA C 78 59.569 58.922 0.647 1
1 858 . 5 1 1 A 78 78 GLU CB C 78 29.511 29.226 0.285 1
1 860 . 5 1 1 A 78 78 GLU N N 78 117.499 118.602 -1.103 1
1 861 . 5 1 1 A 79 79 VAL H H 79 7.753 7.849 -0.096 1
1 862 . 5 1 1 A 79 79 VAL HA H 79 3.927 3.746 0.181 1
1 870 . 5 1 1 A 79 79 VAL C C 79 177.408 176.954 0.454 1
1 871 . 5 1 1 A 79 79 VAL CA C 79 64.439 65.599 -1.160 1
1 872 . 5 1 1 A 79 79 VAL CB C 79 31.904 31.772 0.132 1
1 875 . 5 1 1 A 79 79 VAL N N 79 115.536 121.034 -5.498 1
1 876 . 5 1 1 A 80 80 VAL H H 80 7.123 7.448 -0.325 1
1 877 . 5 1 1 A 80 80 VAL HA H 80 4.443 4.347 0.096 1
1 885 . 5 1 1 A 80 80 VAL C C 80 175.020 177.495 -2.475 1
1 886 . 5 1 1 A 80 80 VAL CA C 80 60.286 62.438 -2.152 1
1 887 . 5 1 1 A 80 80 VAL CB C 80 30.948 33.518 -2.570 1
1 890 . 5 1 1 A 80 80 VAL N N 80 109.738 115.146 -5.408 1
1 891 . 5 1 1 A 81 81 GLY H H 81 7.210 8.358 -1.148 1
1 892 . 5 1 1 A 81 81 GLY HA2 H 81 4.511 4.089 0.422 1
1 893 . 5 1 1 A 81 81 GLY HA3 H 81 3.664 4.111 -0.447 1
1 894 . 5 1 1 A 81 81 GLY C C 81 175.262 175.203 0.059 1
1 895 . 5 1 1 A 81 81 GLY CA C 81 44.964 45.727 -0.763 1
1 896 . 5 1 1 A 81 81 GLY N N 81 106.697 110.181 -3.484 1
1 897 . 5 1 1 A 82 82 GLY H H 82 8.673 8.376 0.297 1
1 898 . 5 1 1 A 82 82 GLY HA2 H 82 4.022 4.027 -0.005 1
1 899 . 5 1 1 A 82 82 GLY HA3 H 82 3.150 4.031 -0.881 1
1 900 . 5 1 1 A 82 82 GLY C C 82 174.547 173.601 0.946 1
1 901 . 5 1 1 A 82 82 GLY CA C 82 45.151 45.402 -0.251 1
1 902 . 5 1 1 A 82 82 GLY N N 82 111.931 107.237 4.694 1
1 903 . 5 1 1 A 83 83 MET H H 83 8.841 7.670 1.171 1
1 904 . 5 1 1 A 83 83 MET HA H 83 4.582 4.814 -0.232 1
1 909 . 5 1 1 A 83 83 MET C C 83 176.001 175.025 0.976 1
1 910 . 5 1 1 A 83 83 MET CA C 83 55.737 54.444 1.293 1
1 911 . 5 1 1 A 83 83 MET CB C 83 30.273 33.389 -3.116 1
1 913 . 5 1 1 A 83 83 MET N N 83 119.840 115.600 4.240 1
1 914 . 5 1 1 A 84 84 ASP H H 84 7.395 8.048 -0.653 1
1 915 . 5 1 1 A 84 84 ASP HA H 84 4.695 4.987 -0.292 1
1 918 . 5 1 1 A 84 84 ASP C C 84 176.694 174.982 1.712 1
1 919 . 5 1 1 A 84 84 ASP CA C 84 54.300 53.126 1.174 1
1 920 . 5 1 1 A 84 84 ASP CB C 84 41.551 42.009 -0.458 1
1 921 . 5 1 1 A 84 84 ASP N N 84 114.478 120.804 -6.326 1
1 922 . 5 1 1 A 85 85 TYR H H 85 7.930 7.927 0.003 1
1 923 . 5 1 1 A 85 85 TYR HA H 85 4.148 4.563 -0.415 1
1 926 . 5 1 1 A 85 85 TYR C C 85 173.845 175.233 -1.388 1
1 927 . 5 1 1 A 85 85 TYR CA C 85 59.520 57.666 1.854 1
1 928 . 5 1 1 A 85 85 TYR CB C 85 38.105 38.934 -0.829 1
1 929 . 5 1 1 A 85 85 TYR N N 85 123.769 121.837 1.932 1
1 930 . 5 1 1 A 86 86 VAL H H 86 7.755 8.197 -0.442 1
1 931 . 5 1 1 A 86 86 VAL HA H 86 3.402 4.061 -0.659 1
1 939 . 5 1 1 A 86 86 VAL C C 86 173.896 175.920 -2.024 1
1 940 . 5 1 1 A 86 86 VAL CA C 86 62.779 62.161 0.618 1
1 941 . 5 1 1 A 86 86 VAL CB C 86 31.843 32.090 -0.247 1
1 944 . 5 1 1 A 86 86 VAL N N 86 130.130 125.031 5.099 1
1 945 . 5 1 1 A 87 87 LEU H H 87 7.069 9.122 -2.053 1
1 946 . 5 1 1 A 87 87 LEU HA H 87 3.833 4.603 -0.770 1
1 956 . 5 1 1 A 87 87 LEU C C 87 176.432 175.920 0.512 1
1 957 . 5 1 1 A 87 87 LEU CA C 87 55.977 54.789 1.188 1
1 958 . 5 1 1 A 87 87 LEU CB C 87 42.126 43.002 -0.876 1
1 962 . 5 1 1 A 87 87 LEU N N 87 121.577 127.803 -6.226 1
1 963 . 5 1 1 A 88 88 ASN H H 88 8.705 8.632 0.073 1
1 964 . 5 1 1 A 88 88 ASN HA H 88 4.717 5.398 -0.681 1
1 967 . 5 1 1 A 88 88 ASN C C 88 173.156 173.068 0.088 1
1 968 . 5 1 1 A 88 88 ASN CA C 88 51.471 52.468 -0.997 1
1 969 . 5 1 1 A 88 88 ASN CB C 88 41.622 42.511 -0.889 1
1 970 . 5 1 1 A 88 88 ASN N N 88 120.561 117.731 2.830 1
1 971 . 5 1 1 A 89 89 ASP H H 89 8.482 8.612 -0.130 1
1 972 . 5 1 1 A 89 89 ASP HA H 89 3.937 4.260 -0.323 1
1 975 . 5 1 1 A 89 89 ASP C C 89 178.751 176.993 1.758 1
1 976 . 5 1 1 A 89 89 ASP CA C 89 56.268 55.789 0.479 1
1 977 . 5 1 1 A 89 89 ASP CB C 89 40.380 40.370 0.010 1
1 978 . 5 1 1 A 89 89 ASP N N 89 122.084 123.239 -1.155 1
1 979 . 5 1 1 A 90 90 GLY H H 90 9.334 8.829 0.505 1
1 980 . 5 1 1 A 90 90 GLY HA2 H 90 4.314 3.653 0.661 1
1 981 . 5 1 1 A 90 90 GLY HA3 H 90 3.619 3.741 -0.122 1
1 982 . 5 1 1 A 90 90 GLY C C 90 174.907 174.151 0.756 1
1 983 . 5 1 1 A 90 90 GLY CA C 90 45.076 45.148 -0.072 1
1 984 . 5 1 1 A 90 90 GLY N N 90 117.218 113.813 3.405 1
1 985 . 5 1 1 A 91 91 ASP H H 91 7.987 7.817 0.170 1
1 986 . 5 1 1 A 91 91 ASP HA H 91 4.745 4.617 0.128 1
1 989 . 5 1 1 A 91 91 ASP C C 91 175.436 175.772 -0.336 1
1 990 . 5 1 1 A 91 91 ASP CA C 91 55.954 54.366 1.588 1
1 991 . 5 1 1 A 91 91 ASP CB C 91 41.876 41.919 -0.043 1
1 992 . 5 1 1 A 91 91 ASP N N 91 122.336 121.335 1.001 1
1 993 . 5 1 1 A 92 92 THR H H 92 8.227 8.931 -0.704 1
1 994 . 5 1 1 A 92 92 THR HA H 92 5.093 5.165 -0.072 1
1 999 . 5 1 1 A 92 92 THR C C 92 173.702 172.745 0.957 1
1 1000 . 5 1 1 A 92 92 THR CA C 92 61.477 61.998 -0.521 1
1 1001 . 5 1 1 A 92 92 THR CB C 92 70.032 69.617 0.415 1
1 1003 . 5 1 1 A 92 92 THR N N 92 115.456 120.526 -5.070 1
1 1004 . 5 1 1 A 93 93 VAL H H 93 9.039 9.019 0.020 1
1 1005 . 5 1 1 A 93 93 VAL HA H 93 4.731 4.676 0.055 1
1 1013 . 5 1 1 A 93 93 VAL C C 93 173.391 173.550 -0.159 1
1 1014 . 5 1 1 A 93 93 VAL CA C 93 59.984 59.545 0.439 1
1 1015 . 5 1 1 A 93 93 VAL CB C 93 33.978 33.992 -0.014 1
1 1018 . 5 1 1 A 93 93 VAL N N 93 129.109 127.182 1.927 1
1 1019 . 5 1 1 A 94 94 GLU H H 94 9.012 8.170 0.842 1
1 1020 . 5 1 1 A 94 94 GLU HA H 94 4.941 4.860 0.081 1
1 1025 . 5 1 1 A 94 94 GLU C C 94 173.669 174.983 -1.314 1
1 1026 . 5 1 1 A 94 94 GLU CA C 94 53.577 54.300 -0.723 1
1 1027 . 5 1 1 A 94 94 GLU CB C 94 32.853 32.796 0.057 1
1 1029 . 5 1 1 A 94 94 GLU N N 94 126.881 127.667 -0.786 1
1 1030 . 5 1 1 A 95 95 PHE H H 95 9.012 8.465 0.547 1
1 1031 . 5 1 1 A 95 95 PHE HA H 95 4.941 5.059 -0.118 1
1 1034 . 5 1 1 A 95 95 PHE C C 95 174.687 174.504 0.183 1
1 1035 . 5 1 1 A 95 95 PHE CA C 95 56.843 56.507 0.336 1
1 1036 . 5 1 1 A 95 95 PHE CB C 95 40.889 40.652 0.237 1
1 1037 . 5 1 1 A 95 95 PHE N N 95 122.718 119.644 3.074 1
1 1038 . 5 1 1 A 96 96 ILE H H 96 9.292 8.700 0.592 1
1 1039 . 5 1 1 A 96 96 ILE HA H 96 4.573 4.966 -0.393 1
1 1049 . 5 1 1 A 96 96 ILE C C 96 175.897 175.377 0.520 1
1 1050 . 5 1 1 A 96 96 ILE CA C 96 59.748 60.464 -0.716 1
1 1051 . 5 1 1 A 96 96 ILE CB C 96 40.938 38.097 2.841 1
1 1055 . 5 1 1 A 96 96 ILE N N 96 123.112 126.060 -2.948 1
1 1056 . 5 1 1 A 97 97 SER H H 97 8.245 8.873 -0.628 1
1 1057 . 5 1 1 A 97 97 SER HA H 97 4.800 4.551 0.249 1
1 1060 . 5 1 1 A 97 97 SER C C 97 175.130 175.159 -0.029 1
1 1061 . 5 1 1 A 97 97 SER CA C 97 58.154 59.299 -1.145 1
1 1062 . 5 1 1 A 97 97 SER CB C 97 63.137 63.047 0.090 1
1 1063 . 5 1 1 A 97 97 SER N N 97 121.343 125.668 -4.325 1
1 1064 . 5 1 1 A 98 98 THR H H 98 8.181 9.169 -0.988 1
1 1065 . 5 1 1 A 98 98 THR HA H 98 4.549 4.565 -0.016 1
1 1070 . 5 1 1 A 98 98 THR C C 98 174.729 174.374 0.355 1
1 1071 . 5 1 1 A 98 98 THR CA C 98 61.603 61.949 -0.346 1
1 1072 . 5 1 1 A 98 98 THR CB C 98 69.890 71.071 -1.181 1
1 1074 . 5 1 1 A 98 98 THR N N 98 116.451 117.058 -0.607 1
1 1075 . 5 1 1 A 99 99 LEU H H 99 8.033 7.961 0.072 1
1 1076 . 5 1 1 A 99 99 LEU HA H 99 4.234 4.440 -0.206 1
1 1086 . 5 1 1 A 99 99 LEU C C 99 177.349 175.094 2.255 1
1 1087 . 5 1 1 A 99 99 LEU CA C 99 55.517 55.132 0.385 1
1 1088 . 5 1 1 A 99 99 LEU CB C 99 41.996 42.090 -0.094 1
1 1092 . 5 1 1 A 99 99 LEU N N 99 122.869 122.122 0.747 1
1 1093 . 5 1 1 A 100 100 HIS H H 100 8.558 8.916 -0.358 1
1 1094 . 5 1 1 A 100 100 HIS HA H 100 4.460 5.117 -0.657 1
1 1097 . 5 1 1 A 100 100 HIS C C 100 175.718 174.946 0.772 1
1 1098 . 5 1 1 A 100 100 HIS CA C 100 56.096 54.222 1.874 1
1 1099 . 5 1 1 A 100 100 HIS CB C 100 29.709 31.582 -1.873 1
1 1100 . 5 1 1 A 100 100 HIS N N 100 120.437 117.603 2.834 1
1 1101 . 5 1 1 A 101 101 GLY H H 101 8.477 8.426 0.051 1
1 1102 . 5 1 1 A 101 101 GLY HA2 H 101 3.888 3.932 -0.044 1
1 1103 . 5 1 1 A 101 101 GLY HA3 H 101 3.888 3.942 -0.054 1
1 1104 . 5 1 1 A 101 101 GLY C C 101 174.614 174.691 -0.077 1
1 1105 . 5 1 1 A 101 101 GLY CA C 101 45.529 46.135 -0.606 1
1 1106 . 5 1 1 A 101 101 GLY N N 101 110.340 111.885 -1.545 1
1 7 . 6 1 1 A 2 2 SER H H 2 8.206 8.908 -0.702 1
1 8 . 6 1 1 A 2 2 SER N N 2 126.498 119.324 7.174 1
1 9 . 6 1 1 A 3 3 ASN HA H 3 5.166 5.048 0.118 1
1 12 . 6 1 1 A 3 3 ASN C C 3 175.527 174.941 0.586 1
1 13 . 6 1 1 A 3 3 ASN CA C 3 51.466 52.695 -1.229 1
1 14 . 6 1 1 A 3 3 ASN CB C 3 39.931 39.385 0.546 1
1 15 . 6 1 1 A 4 4 HIS H H 4 8.859 8.369 0.490 1
1 16 . 6 1 1 A 4 4 HIS HA H 4 4.165 5.254 -1.089 1
1 19 . 6 1 1 A 4 4 HIS C C 4 175.897 174.126 1.771 1
1 20 . 6 1 1 A 4 4 HIS CA C 4 56.644 53.973 2.671 1
1 21 . 6 1 1 A 4 4 HIS CB C 4 30.122 32.849 -2.727 1
1 22 . 6 1 1 A 4 4 HIS N N 4 120.656 120.459 0.197 1
1 23 . 6 1 1 A 5 5 ASN H H 5 8.263 9.516 -1.253 1
1 24 . 6 1 1 A 5 5 ASN HA H 5 4.274 4.712 -0.438 1
1 27 . 6 1 1 A 5 5 ASN C C 5 177.939 174.764 3.175 1
1 28 . 6 1 1 A 5 5 ASN CA C 5 57.261 54.716 2.545 1
1 29 . 6 1 1 A 5 5 ASN CB C 5 38.232 37.261 0.971 1
1 30 . 6 1 1 A 5 5 ASN N N 5 121.699 117.271 4.428 1
1 31 . 6 1 1 A 6 6 HIS H H 6 9.675 8.385 1.290 1
1 32 . 6 1 1 A 6 6 HIS HA H 6 5.261 4.393 0.868 1
1 35 . 6 1 1 A 6 6 HIS C C 6 171.876 173.501 -1.625 1
1 36 . 6 1 1 A 6 6 HIS CA C 6 56.016 57.957 -1.941 1
1 37 . 6 1 1 A 6 6 HIS CB C 6 31.324 28.422 2.902 1
1 38 . 6 1 1 A 6 6 HIS N N 6 117.245 115.812 1.433 1
1 39 . 6 1 1 A 7 7 ILE H H 7 7.753 8.403 -0.650 1
1 40 . 6 1 1 A 7 7 ILE HA H 7 4.442 4.784 -0.342 1
1 50 . 6 1 1 A 7 7 ILE C C 7 174.518 174.996 -0.478 1
1 51 . 6 1 1 A 7 7 ILE CA C 7 57.922 59.721 -1.799 1
1 52 . 6 1 1 A 7 7 ILE CB C 7 39.790 40.612 -0.822 1
1 56 . 6 1 1 A 7 7 ILE N N 7 126.114 121.689 4.425 1
1 57 . 6 1 1 A 8 8 THR H H 8 8.238 9.542 -1.304 1
1 58 . 6 1 1 A 8 8 THR HA H 8 4.733 4.621 0.112 1
1 63 . 6 1 1 A 8 8 THR C C 8 172.672 172.849 -0.177 1
1 64 . 6 1 1 A 8 8 THR CA C 8 62.203 62.017 0.186 1
1 65 . 6 1 1 A 8 8 THR CB C 8 70.202 68.330 1.872 1
1 67 . 6 1 1 A 8 8 THR N N 8 123.879 123.792 0.087 1
1 68 . 6 1 1 A 9 9 VAL H H 9 8.717 8.726 -0.009 1
1 69 . 6 1 1 A 9 9 VAL HA H 9 5.165 5.186 -0.021 1
1 77 . 6 1 1 A 9 9 VAL C C 9 173.545 174.582 -1.037 1
1 78 . 6 1 1 A 9 9 VAL CA C 9 59.279 59.791 -0.512 1
1 79 . 6 1 1 A 9 9 VAL CB C 9 33.495 34.092 -0.597 1
1 82 . 6 1 1 A 9 9 VAL N N 9 124.808 126.491 -1.683 1
1 83 . 6 1 1 A 10 10 GLN H H 10 8.863 8.384 0.479 1
1 84 . 6 1 1 A 10 10 GLN HA H 10 4.841 4.657 0.184 1
1 87 . 6 1 1 A 10 10 GLN C C 10 173.774 173.246 0.528 1
1 88 . 6 1 1 A 10 10 GLN CA C 10 53.092 53.271 -0.179 1
1 89 . 6 1 1 A 10 10 GLN CB C 10 32.226 32.921 -0.695 1
1 91 . 6 1 1 A 10 10 GLN N N 10 123.709 125.380 -1.671 1
1 92 . 6 1 1 A 11 11 PHE H H 11 8.252 8.288 -0.036 1
1 93 . 6 1 1 A 11 11 PHE HA H 11 5.661 5.488 0.173 1
1 96 . 6 1 1 A 11 11 PHE C C 11 175.180 174.754 0.426 1
1 97 . 6 1 1 A 11 11 PHE CA C 11 55.799 56.834 -1.035 1
1 98 . 6 1 1 A 11 11 PHE CB C 11 43.197 43.882 -0.685 1
1 99 . 6 1 1 A 11 11 PHE N N 11 119.002 116.385 2.617 1
1 100 . 6 1 1 A 12 12 ALA H H 12 8.989 8.393 0.596 1
1 101 . 6 1 1 A 12 12 ALA HA H 12 4.971 4.930 0.041 1
1 105 . 6 1 1 A 12 12 ALA C C 12 179.413 178.178 1.235 1
1 106 . 6 1 1 A 12 12 ALA CA C 12 51.675 51.244 0.431 1
1 107 . 6 1 1 A 12 12 ALA CB C 12 23.716 22.867 0.849 1
1 108 . 6 1 1 A 12 12 ALA N N 12 123.388 123.075 0.313 1
1 109 . 6 1 1 A 13 13 GLY H H 13 9.188 8.800 0.388 1
1 110 . 6 1 1 A 13 13 GLY HA2 H 13 4.477 3.889 0.588 1
1 111 . 6 1 1 A 13 13 GLY HA3 H 13 3.937 3.902 0.035 1
1 112 . 6 1 1 A 13 13 GLY C C 13 173.600 175.072 -1.472 1
1 113 . 6 1 1 A 13 13 GLY CA C 13 46.252 47.257 -1.005 1
1 114 . 6 1 1 A 13 13 GLY N N 13 110.134 107.986 2.148 1
1 115 . 6 1 1 A 14 14 GLY H H 14 9.510 8.870 0.640 1
1 116 . 6 1 1 A 14 14 GLY HA2 H 14 4.600 4.088 0.512 1
1 117 . 6 1 1 A 14 14 GLY HA3 H 14 3.453 4.094 -0.641 1
1 118 . 6 1 1 A 14 14 GLY C C 14 177.136 174.869 2.267 1
1 119 . 6 1 1 A 14 14 GLY CA C 14 44.792 45.421 -0.629 1
1 120 . 6 1 1 A 14 14 GLY N N 14 109.966 113.874 -3.908 1
1 121 . 6 1 1 A 15 15 CYS H H 15 7.748 7.614 0.134 1
1 122 . 6 1 1 A 15 15 CYS HA H 15 3.883 4.532 -0.649 1
1 125 . 6 1 1 A 15 15 CYS C C 15 175.011 175.850 -0.839 1
1 126 . 6 1 1 A 15 15 CYS CA C 15 62.034 59.179 2.855 1
1 127 . 6 1 1 A 15 15 CYS N N 15 121.082 117.824 3.258 1
1 128 . 6 1 1 A 16 16 GLU H H 16 7.837 8.427 -0.590 1
1 129 . 6 1 1 A 16 16 GLU HA H 16 4.009 3.985 0.024 1
1 134 . 6 1 1 A 16 16 GLU C C 16 178.419 178.614 -0.195 1
1 135 . 6 1 1 A 16 16 GLU CA C 16 58.599 59.164 -0.565 1
1 136 . 6 1 1 A 16 16 GLU CB C 16 27.745 29.545 -1.800 1
1 138 . 6 1 1 A 16 16 GLU N N 16 120.416 119.934 0.482 1
1 139 . 6 1 1 A 17 17 LEU H H 17 7.626 8.162 -0.536 1
1 140 . 6 1 1 A 17 17 LEU HA H 17 3.927 4.009 -0.082 1
1 150 . 6 1 1 A 17 17 LEU C C 17 178.349 177.925 0.424 1
1 151 . 6 1 1 A 17 17 LEU CA C 17 57.105 57.987 -0.882 1
1 152 . 6 1 1 A 17 17 LEU CB C 17 40.474 41.695 -1.221 1
1 156 . 6 1 1 A 17 17 LEU N N 17 122.648 121.272 1.376 1
1 157 . 6 1 1 A 18 18 LEU H H 18 7.488 7.962 -0.474 1
1 158 . 6 1 1 A 18 18 LEU HA H 18 4.143 4.208 -0.065 1
1 168 . 6 1 1 A 18 18 LEU C C 18 175.859 177.081 -1.222 1
1 169 . 6 1 1 A 18 18 LEU CA C 18 55.729 55.909 -0.180 1
1 170 . 6 1 1 A 18 18 LEU CB C 18 40.532 40.679 -0.147 1
1 174 . 6 1 1 A 18 18 LEU N N 18 117.565 114.948 2.617 1
1 175 . 6 1 1 A 19 19 PHE H H 19 7.164 8.211 -1.047 1
1 176 . 6 1 1 A 19 19 PHE HA H 19 4.395 4.791 -0.396 1
1 179 . 6 1 1 A 19 19 PHE C C 19 176.362 175.958 0.404 1
1 180 . 6 1 1 A 19 19 PHE CA C 19 56.373 59.182 -2.809 1
1 181 . 6 1 1 A 19 19 PHE CB C 19 39.143 41.304 -2.161 1
1 182 . 6 1 1 A 19 19 PHE N N 19 117.899 118.776 -0.877 1
1 183 . 6 1 1 A 20 20 ALA H H 20 8.780 7.807 0.973 1
1 184 . 6 1 1 A 20 20 ALA HA H 20 4.087 4.548 -0.461 1
1 188 . 6 1 1 A 20 20 ALA C C 20 176.512 177.554 -1.042 1
1 189 . 6 1 1 A 20 20 ALA CA C 20 53.279 51.507 1.772 1
1 190 . 6 1 1 A 20 20 ALA CB C 20 17.047 19.473 -2.426 1
1 191 . 6 1 1 A 20 20 ALA N N 20 123.417 119.617 3.800 1
1 192 . 6 1 1 A 21 21 LYS H H 21 7.825 8.315 -0.490 1
1 193 . 6 1 1 A 21 21 LYS HA H 21 3.181 3.849 -0.668 1
1 202 . 6 1 1 A 21 21 LYS C C 21 175.295 175.496 -0.201 1
1 203 . 6 1 1 A 21 21 LYS CA C 21 58.666 57.519 1.147 1
1 204 . 6 1 1 A 21 21 LYS CB C 21 29.784 29.539 0.245 1
1 208 . 6 1 1 A 21 21 LYS N N 21 108.448 111.332 -2.884 1
1 209 . 6 1 1 A 22 22 GLN H H 22 7.611 8.122 -0.511 1
1 210 . 6 1 1 A 22 22 GLN HA H 22 4.429 4.476 -0.047 1
1 215 . 6 1 1 A 22 22 GLN C C 22 174.967 176.059 -1.092 1
1 216 . 6 1 1 A 22 22 GLN CA C 22 56.105 55.764 0.341 1
1 217 . 6 1 1 A 22 22 GLN CB C 22 29.548 30.561 -1.013 1
1 219 . 6 1 1 A 22 22 GLN N N 22 120.482 118.352 2.130 1
1 220 . 6 1 1 A 23 23 THR H H 23 8.201 8.784 -0.583 1
1 221 . 6 1 1 A 23 23 THR HA H 23 4.491 4.454 0.037 1
1 226 . 6 1 1 A 23 23 THR C C 23 175.012 174.965 0.047 1
1 227 . 6 1 1 A 23 23 THR CA C 23 62.436 62.278 0.158 1
1 228 . 6 1 1 A 23 23 THR CB C 23 69.501 69.086 0.415 1
1 229 . 6 1 1 A 23 23 THR N N 23 110.354 113.606 -3.252 1
1 230 . 6 1 1 A 24 24 SER H H 24 7.751 8.036 -0.285 1
1 231 . 6 1 1 A 24 24 SER HA H 24 5.136 4.828 0.308 1
1 234 . 6 1 1 A 24 24 SER C C 24 172.623 173.057 -0.434 1
1 235 . 6 1 1 A 24 24 SER CA C 24 57.192 56.620 0.572 1
1 236 . 6 1 1 A 24 24 SER CB C 24 65.459 66.062 -0.603 1
1 237 . 6 1 1 A 24 24 SER N N 24 114.575 114.035 0.540 1
1 238 . 6 1 1 A 25 25 LEU H H 25 9.272 9.203 0.069 1
1 239 . 6 1 1 A 25 25 LEU HA H 25 4.531 4.970 -0.439 1
1 249 . 6 1 1 A 25 25 LEU C C 25 174.436 175.734 -1.298 1
1 250 . 6 1 1 A 25 25 LEU CA C 25 53.929 53.646 0.283 1
1 251 . 6 1 1 A 25 25 LEU CB C 25 45.561 46.620 -1.059 1
1 255 . 6 1 1 A 25 25 LEU N N 25 124.288 122.465 1.823 1
1 256 . 6 1 1 A 26 26 GLN H H 26 8.573 8.610 -0.037 1
1 257 . 6 1 1 A 26 26 GLN HA H 26 4.607 5.545 -0.938 1
1 262 . 6 1 1 A 26 26 GLN C C 26 173.250 174.698 -1.448 1
1 263 . 6 1 1 A 26 26 GLN CA C 26 54.207 54.270 -0.063 1
1 264 . 6 1 1 A 26 26 GLN CB C 26 27.813 31.314 -3.501 1
1 266 . 6 1 1 A 26 26 GLN N N 26 122.971 119.937 3.034 1
1 267 . 6 1 1 A 27 27 LEU H H 27 8.753 8.939 -0.186 1
1 268 . 6 1 1 A 27 27 LEU HA H 27 4.414 4.857 -0.443 1
1 272 . 6 1 1 A 27 27 LEU C C 27 175.313 175.979 -0.666 1
1 273 . 6 1 1 A 27 27 LEU CA C 27 53.132 53.496 -0.364 1
1 274 . 6 1 1 A 27 27 LEU CB C 27 40.489 44.074 -3.585 1
1 278 . 6 1 1 A 27 27 LEU N N 27 126.504 126.154 0.350 1
1 279 . 6 1 1 A 28 28 ASP H H 28 8.568 8.688 -0.120 1
1 280 . 6 1 1 A 28 28 ASP HA H 28 4.414 4.903 -0.489 1
1 283 . 6 1 1 A 28 28 ASP C C 28 176.147 176.663 -0.516 1
1 284 . 6 1 1 A 28 28 ASP CA C 28 53.407 54.831 -1.424 1
1 285 . 6 1 1 A 28 28 ASP CB C 28 40.535 41.903 -1.368 1
1 286 . 6 1 1 A 28 28 ASP N N 28 112.805 123.206 -10.401 1
1 287 . 6 1 1 A 29 29 GLY H H 29 7.770 8.631 -0.861 1
1 288 . 6 1 1 A 29 29 GLY HA2 H 29 3.942 4.016 -0.074 1
1 289 . 6 1 1 A 29 29 GLY HA3 H 29 3.806 4.035 -0.229 1
1 290 . 6 1 1 A 29 29 GLY C C 29 174.455 172.954 1.501 1
1 291 . 6 1 1 A 29 29 GLY CA C 29 47.297 45.777 1.520 1
1 292 . 6 1 1 A 29 29 GLY N N 29 129.863 110.914 18.949 1
1 293 . 6 1 1 A 30 30 VAL H H 30 7.792 8.749 -0.957 1
1 294 . 6 1 1 A 30 30 VAL HA H 30 4.391 4.418 -0.027 1
1 302 . 6 1 1 A 30 30 VAL C C 30 174.315 175.849 -1.534 1
1 303 . 6 1 1 A 30 30 VAL CA C 30 62.180 61.114 1.066 1
1 304 . 6 1 1 A 30 30 VAL CB C 30 35.931 33.634 2.297 1
1 307 . 6 1 1 A 30 30 VAL N N 30 112.711 124.816 -12.105 1
1 308 . 6 1 1 A 31 31 VAL H H 31 8.748 8.733 0.015 1
1 309 . 6 1 1 A 31 31 VAL C C 31 172.882 176.228 -3.346 1
1 310 . 6 1 1 A 31 31 VAL CA C 31 62.284 62.904 -0.620 1
1 311 . 6 1 1 A 31 31 VAL CB C 31 33.804 30.063 3.741 1
1 312 . 6 1 1 A 31 31 VAL N N 31 123.316 127.354 -4.038 1
1 313 . 6 1 1 A 32 32 PRO HA H 32 5.038 4.496 0.542 1
1 320 . 6 1 1 A 32 32 PRO C C 32 179.633 177.985 1.648 1
1 321 . 6 1 1 A 32 32 PRO CA C 32 63.073 64.303 -1.230 1
1 322 . 6 1 1 A 32 32 PRO CB C 32 32.421 31.939 0.482 1
1 325 . 6 1 1 A 33 33 THR H H 33 8.739 7.783 0.956 1
1 326 . 6 1 1 A 33 33 THR HA H 33 3.896 3.935 -0.039 1
1 331 . 6 1 1 A 33 33 THR C C 33 174.735 176.138 -1.403 1
1 332 . 6 1 1 A 33 33 THR CA C 33 64.329 66.105 -1.776 1
1 333 . 6 1 1 A 33 33 THR CB C 33 67.929 68.382 -0.453 1
1 335 . 6 1 1 A 33 33 THR N N 33 120.858 112.255 8.603 1
1 336 . 6 1 1 A 34 34 GLY H H 34 8.303 8.006 0.297 1
1 337 . 6 1 1 A 34 34 GLY HA2 H 34 4.359 3.891 0.468 1
1 338 . 6 1 1 A 34 34 GLY HA3 H 34 3.451 3.895 -0.444 1
1 339 . 6 1 1 A 34 34 GLY C C 34 174.037 173.177 0.860 1
1 340 . 6 1 1 A 34 34 GLY CA C 34 45.067 46.265 -1.198 1
1 341 . 6 1 1 A 34 34 GLY N N 34 114.645 108.265 6.380 1
1 342 . 6 1 1 A 35 35 THR H H 35 7.405 6.982 0.423 1
1 343 . 6 1 1 A 35 35 THR HA H 35 4.073 5.005 -0.932 1
1 348 . 6 1 1 A 35 35 THR C C 35 174.540 174.044 0.496 1
1 349 . 6 1 1 A 35 35 THR CA C 35 65.137 61.224 3.913 1
1 350 . 6 1 1 A 35 35 THR CB C 35 69.484 71.554 -2.070 1
1 352 . 6 1 1 A 35 35 THR N N 35 117.340 114.013 3.327 1
1 353 . 6 1 1 A 36 36 ASN H H 36 8.836 8.483 0.353 1
1 354 . 6 1 1 A 36 36 ASN HA H 36 5.686 5.092 0.594 1
1 357 . 6 1 1 A 36 36 ASN C C 36 176.512 175.790 0.722 1
1 358 . 6 1 1 A 36 36 ASN CA C 36 50.439 50.820 -0.381 1
1 359 . 6 1 1 A 36 36 ASN CB C 36 40.274 40.044 0.230 1
1 360 . 6 1 1 A 36 36 ASN N N 36 127.379 125.572 1.807 1
1 361 . 6 1 1 A 37 37 LEU H H 37 8.045 8.547 -0.502 1
1 362 . 6 1 1 A 37 37 LEU HA H 37 4.142 4.120 0.022 1
1 372 . 6 1 1 A 37 37 LEU C C 37 178.931 178.301 0.630 1
1 373 . 6 1 1 A 37 37 LEU CA C 37 59.274 58.291 0.983 1
1 374 . 6 1 1 A 37 37 LEU CB C 37 42.159 41.495 0.664 1
1 378 . 6 1 1 A 37 37 LEU N N 37 119.164 119.835 -0.671 1
1 379 . 6 1 1 A 38 38 ASN H H 38 7.959 8.275 -0.316 1
1 380 . 6 1 1 A 38 38 ASN HA H 38 4.502 4.430 0.072 1
1 383 . 6 1 1 A 38 38 ASN C C 38 178.691 178.163 0.528 1
1 384 . 6 1 1 A 38 38 ASN CA C 38 57.080 56.584 0.496 1
1 385 . 6 1 1 A 38 38 ASN CB C 38 38.367 38.817 -0.450 1
1 386 . 6 1 1 A 38 38 ASN N N 38 118.522 117.538 0.984 1
1 387 . 6 1 1 A 39 39 GLY H H 39 8.828 8.125 0.703 1
1 388 . 6 1 1 A 39 39 GLY HA2 H 39 4.088 3.710 0.378 1
1 389 . 6 1 1 A 39 39 GLY HA3 H 39 3.911 3.713 0.198 1
1 390 . 6 1 1 A 39 39 GLY C C 39 177.320 175.627 1.693 1
1 391 . 6 1 1 A 39 39 GLY CA C 39 46.879 47.253 -0.374 1
1 392 . 6 1 1 A 39 39 GLY N N 39 109.615 107.442 2.173 1
1 393 . 6 1 1 A 40 40 LEU H H 40 8.829 7.965 0.864 1
1 394 . 6 1 1 A 40 40 LEU HA H 40 4.504 4.129 0.375 1
1 404 . 6 1 1 A 40 40 LEU C C 40 177.788 178.661 -0.873 1
1 405 . 6 1 1 A 40 40 LEU CA C 40 57.770 57.563 0.207 1
1 406 . 6 1 1 A 40 40 LEU CB C 40 41.713 41.856 -0.143 1
1 410 . 6 1 1 A 40 40 LEU N N 40 125.884 123.306 2.578 1
1 411 . 6 1 1 A 41 41 VAL H H 41 8.333 8.054 0.279 1
1 412 . 6 1 1 A 41 41 VAL HA H 41 3.328 3.881 -0.553 1
1 420 . 6 1 1 A 41 41 VAL C C 41 177.556 178.438 -0.882 1
1 421 . 6 1 1 A 41 41 VAL CA C 41 67.977 65.350 2.627 1
1 422 . 6 1 1 A 41 41 VAL CB C 41 31.080 31.719 -0.639 1
1 425 . 6 1 1 A 41 41 VAL N N 41 120.213 116.162 4.051 1
1 426 . 6 1 1 A 42 42 GLN H H 42 7.672 8.337 -0.665 1
1 427 . 6 1 1 A 42 42 GLN HA H 42 3.866 4.178 -0.312 1
1 432 . 6 1 1 A 42 42 GLN C C 42 177.980 178.200 -0.220 1
1 433 . 6 1 1 A 42 42 GLN CA C 42 58.694 58.471 0.223 1
1 434 . 6 1 1 A 42 42 GLN CB C 42 27.809 28.387 -0.578 1
1 436 . 6 1 1 A 42 42 GLN N N 42 116.386 121.681 -5.295 1
1 437 . 6 1 1 A 43 43 LEU H H 43 8.080 7.591 0.489 1
1 438 . 6 1 1 A 43 43 LEU HA H 43 4.225 4.232 -0.007 1
1 448 . 6 1 1 A 43 43 LEU C C 43 179.999 178.426 1.573 1
1 449 . 6 1 1 A 43 43 LEU CA C 43 58.275 57.162 1.113 1
1 450 . 6 1 1 A 43 43 LEU CB C 43 43.046 42.194 0.852 1
1 454 . 6 1 1 A 43 43 LEU N N 43 122.204 121.553 0.651 1
1 455 . 6 1 1 A 44 44 LEU H H 44 8.810 8.045 0.765 1
1 456 . 6 1 1 A 44 44 LEU HA H 44 4.384 4.438 -0.054 1
1 466 . 6 1 1 A 44 44 LEU C C 44 179.311 178.434 0.877 1
1 467 . 6 1 1 A 44 44 LEU CA C 44 58.397 57.328 1.069 1
1 468 . 6 1 1 A 44 44 LEU CB C 44 41.553 42.857 -1.304 1
1 472 . 6 1 1 A 44 44 LEU N N 44 119.371 119.716 -0.345 1
1 473 . 6 1 1 A 45 45 LYS H H 45 8.652 8.615 0.037 1
1 474 . 6 1 1 A 45 45 LYS HA H 45 3.678 4.214 -0.536 1
1 483 . 6 1 1 A 45 45 LYS C C 45 177.005 178.912 -1.907 1
1 484 . 6 1 1 A 45 45 LYS CA C 45 60.016 58.946 1.070 1
1 485 . 6 1 1 A 45 45 LYS CB C 45 32.411 32.562 -0.151 1
1 489 . 6 1 1 A 45 45 LYS N N 45 120.434 118.088 2.346 1
1 490 . 6 1 1 A 46 46 THR H H 46 8.180 8.387 -0.207 1
1 491 . 6 1 1 A 46 46 THR HA H 46 4.027 4.115 -0.088 1
1 496 . 6 1 1 A 46 46 THR C C 46 176.217 175.404 0.813 1
1 497 . 6 1 1 A 46 46 THR CA C 46 65.173 65.525 -0.352 1
1 498 . 6 1 1 A 46 46 THR CB C 46 69.680 68.676 1.004 1
1 500 . 6 1 1 A 46 46 THR N N 46 109.149 115.568 -6.419 1
1 501 . 6 1 1 A 47 47 ASN H H 47 8.170 7.700 0.470 1
1 502 . 6 1 1 A 47 47 ASN HA H 47 4.785 4.911 -0.126 1
1 505 . 6 1 1 A 47 47 ASN C C 47 175.267 175.432 -0.165 1
1 506 . 6 1 1 A 47 47 ASN CA C 47 54.213 53.913 0.300 1
1 507 . 6 1 1 A 47 47 ASN CB C 47 40.712 39.936 0.776 1
1 508 . 6 1 1 A 47 47 ASN N N 47 116.045 117.699 -1.654 1
1 509 . 6 1 1 A 48 48 TYR H H 48 8.094 7.889 0.205 1
1 510 . 6 1 1 A 48 48 TYR HA H 48 4.695 4.746 -0.051 1
1 513 . 6 1 1 A 48 48 TYR C C 48 175.011 174.487 0.524 1
1 514 . 6 1 1 A 48 48 TYR CA C 48 60.273 57.131 3.142 1
1 515 . 6 1 1 A 48 48 TYR CB C 48 41.189 38.238 2.951 1
1 516 . 6 1 1 A 48 48 TYR N N 48 115.849 117.082 -1.233 1
1 517 . 6 1 1 A 49 49 VAL H H 49 7.769 7.405 0.364 1
1 518 . 6 1 1 A 49 49 VAL HA H 49 3.715 4.411 -0.696 1
1 526 . 6 1 1 A 49 49 VAL C C 49 176.157 175.374 0.783 1
1 527 . 6 1 1 A 49 49 VAL CA C 49 63.454 59.589 3.865 1
1 528 . 6 1 1 A 49 49 VAL CB C 49 31.695 33.877 -2.182 1
1 531 . 6 1 1 A 49 49 VAL N N 49 120.510 121.300 -0.790 1
1 532 . 6 1 1 A 50 50 LYS H H 50 8.334 8.441 -0.107 1
1 533 . 6 1 1 A 50 50 LYS HA H 50 4.242 4.537 -0.295 1
1 542 . 6 1 1 A 50 50 LYS C C 50 176.562 176.161 0.401 1
1 543 . 6 1 1 A 50 50 LYS CA C 50 55.979 56.544 -0.565 1
1 544 . 6 1 1 A 50 50 LYS CB C 50 32.822 34.561 -1.739 1
1 548 . 6 1 1 A 50 50 LYS N N 50 125.933 124.021 1.912 1
1 549 . 6 1 1 A 51 51 GLU H H 51 7.598 7.844 -0.246 1
1 550 . 6 1 1 A 51 51 GLU HA H 51 4.328 4.361 -0.033 1
1 553 . 6 1 1 A 51 51 GLU C C 51 172.975 176.102 -3.127 1
1 554 . 6 1 1 A 51 51 GLU CA C 51 55.074 55.524 -0.450 1
1 555 . 6 1 1 A 51 51 GLU CB C 51 32.633 31.523 1.110 1
1 557 . 6 1 1 A 51 51 GLU N N 51 117.804 121.121 -3.317 1
1 558 . 6 1 1 A 52 52 ARG H H 52 8.383 8.484 -0.101 1
1 559 . 6 1 1 A 52 52 ARG CA C 52 53.279 54.268 -0.989 1
1 560 . 6 1 1 A 52 52 ARG CB C 52 26.615 30.576 -3.961 1
1 561 . 6 1 1 A 52 52 ARG N N 52 111.793 122.206 -10.413 1
1 562 . 6 1 1 A 53 53 PRO HA H 53 4.029 4.291 -0.262 1
1 569 . 6 1 1 A 53 53 PRO C C 53 177.018 177.523 -0.505 1
1 570 . 6 1 1 A 53 53 PRO CA C 53 65.474 64.875 0.599 1
1 571 . 6 1 1 A 53 53 PRO CB C 53 30.916 31.976 -1.060 1
1 574 . 6 1 1 A 53 53 PRO N N 53 111.793 140.638 -28.845 1
1 575 . 6 1 1 A 54 54 ASP H H 54 8.462 8.564 -0.102 1
1 576 . 6 1 1 A 54 54 ASP HA H 54 4.345 4.658 -0.313 1
1 579 . 6 1 1 A 54 54 ASP C C 54 176.493 177.422 -0.929 1
1 580 . 6 1 1 A 54 54 ASP CA C 54 54.982 54.356 0.626 1
1 581 . 6 1 1 A 54 54 ASP CB C 54 39.451 41.382 -1.931 1
1 582 . 6 1 1 A 54 54 ASP N N 54 113.848 116.972 -3.124 1
1 583 . 6 1 1 A 55 55 LEU H H 55 7.766 7.981 -0.215 1
1 584 . 6 1 1 A 55 55 LEU HA H 55 4.235 4.068 0.167 1
1 594 . 6 1 1 A 55 55 LEU C C 55 175.873 178.562 -2.689 1
1 595 . 6 1 1 A 55 55 LEU CA C 55 55.305 57.582 -2.277 1
1 596 . 6 1 1 A 55 55 LEU CB C 55 41.271 41.701 -0.430 1
1 600 . 6 1 1 A 55 55 LEU N N 55 117.721 117.595 0.126 1
1 601 . 6 1 1 A 56 56 LEU H H 56 7.630 7.695 -0.065 1
1 602 . 6 1 1 A 56 56 LEU HA H 56 4.552 4.427 0.125 1
1 612 . 6 1 1 A 56 56 LEU C C 56 175.341 177.085 -1.744 1
1 613 . 6 1 1 A 56 56 LEU CA C 56 55.516 56.415 -0.899 1
1 614 . 6 1 1 A 56 56 LEU CB C 56 44.910 42.705 2.205 1
1 618 . 6 1 1 A 56 56 LEU N N 56 118.796 116.287 2.509 1
1 619 . 6 1 1 A 57 57 VAL H H 57 7.206 7.316 -0.110 1
1 620 . 6 1 1 A 57 57 VAL HA H 57 5.048 4.406 0.642 1
1 628 . 6 1 1 A 57 57 VAL C C 57 175.020 175.940 -0.920 1
1 629 . 6 1 1 A 57 57 VAL CA C 57 58.550 62.047 -3.497 1
1 630 . 6 1 1 A 57 57 VAL CB C 57 35.049 32.725 2.324 1
1 633 . 6 1 1 A 57 57 VAL N N 57 106.872 120.129 -13.257 1
1 634 . 6 1 1 A 58 58 ASP H H 58 8.447 9.256 -0.809 1
1 635 . 6 1 1 A 58 58 ASP HA H 58 4.459 4.308 0.151 1
1 638 . 6 1 1 A 58 58 ASP C C 58 177.406 176.948 0.458 1
1 639 . 6 1 1 A 58 58 ASP CA C 58 53.130 56.837 -3.707 1
1 640 . 6 1 1 A 58 58 ASP CB C 58 40.985 41.425 -0.440 1
1 641 . 6 1 1 A 58 58 ASP N N 58 118.741 123.934 -5.193 1
1 642 . 6 1 1 A 59 59 GLN H H 59 8.883 7.861 1.022 1
1 643 . 6 1 1 A 59 59 GLN HA H 59 4.031 4.605 -0.574 1
1 648 . 6 1 1 A 59 59 GLN C C 59 177.499 176.501 0.998 1
1 649 . 6 1 1 A 59 59 GLN CA C 59 59.120 57.320 1.800 1
1 650 . 6 1 1 A 59 59 GLN CB C 59 28.389 31.054 -2.665 1
1 652 . 6 1 1 A 59 59 GLN N N 59 119.603 117.173 2.430 1
1 653 . 6 1 1 A 60 60 THR H H 60 8.060 8.105 -0.045 1
1 654 . 6 1 1 A 60 60 THR HA H 60 4.296 4.451 -0.155 1
1 659 . 6 1 1 A 60 60 THR C C 60 176.363 175.065 1.298 1
1 660 . 6 1 1 A 60 60 THR CA C 60 63.358 61.937 1.421 1
1 661 . 6 1 1 A 60 60 THR CB C 60 70.577 69.246 1.331 1
1 663 . 6 1 1 A 60 60 THR N N 60 109.323 108.794 0.529 1
1 664 . 6 1 1 A 61 61 GLY H H 61 8.001 7.965 0.036 1
1 665 . 6 1 1 A 61 61 GLY HA2 H 61 4.173 3.903 0.270 1
1 666 . 6 1 1 A 61 61 GLY HA3 H 61 3.610 3.905 -0.295 1
1 667 . 6 1 1 A 61 61 GLY C C 61 174.049 174.437 -0.388 1
1 668 . 6 1 1 A 61 61 GLY CA C 61 45.301 46.427 -1.126 1
1 669 . 6 1 1 A 61 61 GLY N N 61 109.323 110.124 -0.801 1
1 670 . 6 1 1 A 62 62 GLN H H 62 8.091 7.924 0.167 1
1 671 . 6 1 1 A 62 62 GLN HA H 62 4.172 4.517 -0.345 1
1 674 . 6 1 1 A 62 62 GLN C C 62 175.201 175.582 -0.381 1
1 675 . 6 1 1 A 62 62 GLN CA C 62 56.474 57.023 -0.549 1
1 676 . 6 1 1 A 62 62 GLN CB C 62 30.618 30.963 -0.345 1
1 678 . 6 1 1 A 62 62 GLN N N 62 117.247 120.276 -3.029 1
1 679 . 6 1 1 A 63 63 THR H H 63 7.740 7.789 -0.049 1
1 680 . 6 1 1 A 63 63 THR HA H 63 4.624 4.989 -0.365 1
1 685 . 6 1 1 A 63 63 THR C C 63 172.622 173.674 -1.052 1
1 686 . 6 1 1 A 63 63 THR CA C 63 59.718 59.831 -0.113 1
1 687 . 6 1 1 A 63 63 THR CB C 63 70.832 72.122 -1.290 1
1 689 . 6 1 1 A 63 63 THR N N 63 113.860 109.498 4.362 1
1 690 . 6 1 1 A 64 64 LEU H H 64 8.364 8.857 -0.493 1
1 691 . 6 1 1 A 64 64 LEU HA H 64 4.324 5.309 -0.985 1
1 701 . 6 1 1 A 64 64 LEU C C 64 176.311 176.590 -0.279 1
1 702 . 6 1 1 A 64 64 LEU CA C 64 55.025 53.289 1.736 1
1 703 . 6 1 1 A 64 64 LEU CB C 64 43.871 44.884 -1.013 1
1 707 . 6 1 1 A 64 64 LEU N N 64 123.689 120.961 2.728 1
1 708 . 6 1 1 A 65 65 ARG H H 65 8.192 9.048 -0.856 1
1 709 . 6 1 1 A 65 65 ARG C C 65 173.609 175.476 -1.867 1
1 710 . 6 1 1 A 65 65 ARG CA C 65 55.287 55.003 0.284 1
1 711 . 6 1 1 A 65 65 ARG CB C 65 29.681 30.491 -0.810 1
1 712 . 6 1 1 A 65 65 ARG N N 65 126.639 121.525 5.114 1
1 713 . 6 1 1 A 66 66 PRO HA H 66 4.390 4.268 0.122 1
1 720 . 6 1 1 A 66 66 PRO C C 66 177.030 177.384 -0.354 1
1 721 . 6 1 1 A 66 66 PRO CA C 66 63.719 63.684 0.035 1
1 722 . 6 1 1 A 66 66 PRO CB C 66 31.825 31.354 0.471 1
1 725 . 6 1 1 A 66 66 PRO N N 66 126.639 137.241 -10.602 1
1 726 . 6 1 1 A 67 67 GLY H H 67 8.744 8.918 -0.174 1
1 727 . 6 1 1 A 67 67 GLY HA2 H 67 4.232 3.959 0.273 1
1 728 . 6 1 1 A 67 67 GLY HA3 H 67 3.544 3.982 -0.438 1
1 729 . 6 1 1 A 67 67 GLY C C 67 174.319 174.819 -0.500 1
1 730 . 6 1 1 A 67 67 GLY CA C 67 44.818 45.414 -0.596 1
1 731 . 6 1 1 A 68 68 ILE H H 68 7.522 7.877 -0.355 1
1 732 . 6 1 1 A 68 68 ILE HA H 68 4.690 4.446 0.244 1
1 742 . 6 1 1 A 68 68 ILE C C 68 174.703 175.343 -0.640 1
1 743 . 6 1 1 A 68 68 ILE CA C 68 61.047 60.876 0.171 1
1 744 . 6 1 1 A 68 68 ILE CB C 68 38.090 37.895 0.195 1
1 748 . 6 1 1 A 68 68 ILE N N 68 121.049 121.460 -0.411 1
1 749 . 6 1 1 A 69 69 LEU H H 69 9.207 9.321 -0.114 1
1 750 . 6 1 1 A 69 69 LEU HA H 69 4.449 5.020 -0.571 1
1 760 . 6 1 1 A 69 69 LEU C C 69 174.991 175.836 -0.845 1
1 761 . 6 1 1 A 69 69 LEU CA C 69 54.106 53.558 0.548 1
1 762 . 6 1 1 A 69 69 LEU CB C 69 43.588 43.424 0.164 1
1 766 . 6 1 1 A 69 69 LEU N N 69 131.197 128.049 3.148 1
1 767 . 6 1 1 A 70 70 VAL H H 70 8.149 8.613 -0.464 1
1 768 . 6 1 1 A 70 70 VAL HA H 70 4.955 4.609 0.346 1
1 776 . 6 1 1 A 70 70 VAL C C 70 175.167 175.312 -0.145 1
1 777 . 6 1 1 A 70 70 VAL CA C 70 59.928 61.177 -1.249 1
1 778 . 6 1 1 A 70 70 VAL CB C 70 33.239 32.573 0.666 1
1 781 . 6 1 1 A 70 70 VAL N N 70 121.953 123.159 -1.206 1
1 782 . 6 1 1 A 71 71 LEU H H 71 8.881 7.985 0.896 1
1 783 . 6 1 1 A 71 71 LEU HA H 71 4.922 5.175 -0.253 1
1 793 . 6 1 1 A 71 71 LEU C C 71 176.487 175.544 0.943 1
1 794 . 6 1 1 A 71 71 LEU CA C 71 52.627 53.686 -1.059 1
1 795 . 6 1 1 A 71 71 LEU CB C 71 44.487 45.532 -1.045 1
1 799 . 6 1 1 A 71 71 LEU N N 71 126.071 126.230 -0.159 1
1 800 . 6 1 1 A 72 72 VAL H H 72 9.048 9.071 -0.023 1
1 801 . 6 1 1 A 72 72 VAL HA H 72 4.351 4.965 -0.614 1
1 809 . 6 1 1 A 72 72 VAL C C 72 176.078 174.919 1.159 1
1 810 . 6 1 1 A 72 72 VAL CA C 72 60.886 59.965 0.921 1
1 811 . 6 1 1 A 72 72 VAL CB C 72 33.141 33.524 -0.383 1
1 814 . 6 1 1 A 72 72 VAL N N 72 120.969 118.144 2.825 1
1 815 . 6 1 1 A 73 73 ASN H H 73 9.630 9.359 0.271 1
1 816 . 6 1 1 A 73 73 ASN HA H 73 4.335 4.397 -0.062 1
1 821 . 6 1 1 A 73 73 ASN C C 73 175.496 174.693 0.803 1
1 822 . 6 1 1 A 73 73 ASN CA C 73 54.736 54.636 0.100 1
1 823 . 6 1 1 A 73 73 ASN CB C 73 36.825 36.914 -0.089 1
1 824 . 6 1 1 A 73 73 ASN N N 73 129.082 121.390 7.692 1
1 825 . 6 1 1 A 74 74 SER H H 74 9.308 8.415 0.893 1
1 826 . 6 1 1 A 74 74 SER C C 74 172.584 173.178 -0.594 1
1 827 . 6 1 1 A 74 74 SER N N 74 106.084 108.111 -2.027 1
1 828 . 6 1 1 A 75 75 CYS H H 75 7.845 7.592 0.253 1
1 829 . 6 1 1 A 75 75 CYS C C 75 176.045 172.667 3.378 1
1 830 . 6 1 1 A 75 75 CYS CA C 75 57.152 57.805 -0.653 1
1 831 . 6 1 1 A 75 75 CYS CB C 75 29.101 31.449 -2.348 1
1 832 . 6 1 1 A 75 75 CYS N N 75 120.460 118.602 1.858 1
1 833 . 6 1 1 A 76 76 ASP H H 76 8.766 8.850 -0.084 1
1 834 . 6 1 1 A 76 76 ASP HA H 76 4.295 4.420 -0.125 1
1 837 . 6 1 1 A 76 76 ASP C C 76 177.713 177.195 0.518 1
1 838 . 6 1 1 A 76 76 ASP CA C 76 55.721 54.893 0.828 1
1 839 . 6 1 1 A 76 76 ASP CB C 76 41.513 40.753 0.760 1
1 840 . 6 1 1 A 76 76 ASP N N 76 126.661 124.180 2.481 1
1 841 . 6 1 1 A 77 77 ALA H H 77 8.555 8.805 -0.250 1
1 842 . 6 1 1 A 77 77 ALA HA H 77 3.688 4.038 -0.350 1
1 846 . 6 1 1 A 77 77 ALA C C 77 180.149 178.793 1.356 1
1 847 . 6 1 1 A 77 77 ALA CA C 77 54.334 53.858 0.476 1
1 848 . 6 1 1 A 77 77 ALA CB C 77 18.453 18.590 -0.137 1
1 849 . 6 1 1 A 77 77 ALA N N 77 128.302 126.283 2.019 1
1 850 . 6 1 1 A 78 78 GLU H H 78 9.034 7.815 1.219 1
1 851 . 6 1 1 A 78 78 GLU HA H 78 3.763 4.141 -0.378 1
1 856 . 6 1 1 A 78 78 GLU C C 78 179.359 179.285 0.074 1
1 857 . 6 1 1 A 78 78 GLU CA C 78 59.569 58.970 0.599 1
1 858 . 6 1 1 A 78 78 GLU CB C 78 29.511 28.919 0.592 1
1 860 . 6 1 1 A 78 78 GLU N N 78 117.499 118.429 -0.930 1
1 861 . 6 1 1 A 79 79 VAL H H 79 7.753 7.834 -0.081 1
1 862 . 6 1 1 A 79 79 VAL HA H 79 3.927 3.631 0.296 1
1 870 . 6 1 1 A 79 79 VAL C C 79 177.408 178.226 -0.818 1
1 871 . 6 1 1 A 79 79 VAL CA C 79 64.439 66.299 -1.860 1
1 872 . 6 1 1 A 79 79 VAL CB C 79 31.904 31.585 0.319 1
1 875 . 6 1 1 A 79 79 VAL N N 79 115.536 121.307 -5.771 1
1 876 . 6 1 1 A 80 80 VAL H H 80 7.123 7.696 -0.573 1
1 877 . 6 1 1 A 80 80 VAL HA H 80 4.443 4.091 0.352 1
1 885 . 6 1 1 A 80 80 VAL C C 80 175.020 176.970 -1.950 1
1 886 . 6 1 1 A 80 80 VAL CA C 80 60.286 64.807 -4.521 1
1 887 . 6 1 1 A 80 80 VAL CB C 80 30.948 31.999 -1.051 1
1 890 . 6 1 1 A 80 80 VAL N N 80 109.738 115.867 -6.129 1
1 891 . 6 1 1 A 81 81 GLY H H 81 7.210 7.387 -0.177 1
1 892 . 6 1 1 A 81 81 GLY HA2 H 81 4.511 4.061 0.450 1
1 893 . 6 1 1 A 81 81 GLY HA3 H 81 3.664 4.090 -0.426 1
1 894 . 6 1 1 A 81 81 GLY C C 81 175.262 175.921 -0.659 1
1 895 . 6 1 1 A 81 81 GLY CA C 81 44.964 45.592 -0.628 1
1 896 . 6 1 1 A 81 81 GLY N N 81 106.697 108.904 -2.207 1
1 897 . 6 1 1 A 82 82 GLY H H 82 8.673 8.585 0.088 1
1 898 . 6 1 1 A 82 82 GLY HA2 H 82 4.022 4.000 0.022 1
1 899 . 6 1 1 A 82 82 GLY HA3 H 82 3.150 4.020 -0.870 1
1 900 . 6 1 1 A 82 82 GLY C C 82 174.547 174.073 0.474 1
1 901 . 6 1 1 A 82 82 GLY CA C 82 45.151 45.824 -0.673 1
1 902 . 6 1 1 A 82 82 GLY N N 82 111.931 108.652 3.279 1
1 903 . 6 1 1 A 83 83 MET H H 83 8.841 7.982 0.859 1
1 904 . 6 1 1 A 83 83 MET HA H 83 4.582 4.835 -0.253 1
1 909 . 6 1 1 A 83 83 MET C C 83 176.001 175.468 0.533 1
1 910 . 6 1 1 A 83 83 MET CA C 83 55.737 54.096 1.641 1
1 911 . 6 1 1 A 83 83 MET CB C 83 30.273 33.047 -2.774 1
1 913 . 6 1 1 A 83 83 MET N N 83 119.840 116.162 3.678 1
1 914 . 6 1 1 A 84 84 ASP H H 84 7.395 8.268 -0.873 1
1 915 . 6 1 1 A 84 84 ASP HA H 84 4.695 5.000 -0.305 1
1 918 . 6 1 1 A 84 84 ASP C C 84 176.694 175.203 1.491 1
1 919 . 6 1 1 A 84 84 ASP CA C 84 54.300 53.089 1.211 1
1 920 . 6 1 1 A 84 84 ASP CB C 84 41.551 41.705 -0.154 1
1 921 . 6 1 1 A 84 84 ASP N N 84 114.478 120.668 -6.190 1
1 922 . 6 1 1 A 85 85 TYR H H 85 7.930 7.948 -0.018 1
1 923 . 6 1 1 A 85 85 TYR HA H 85 4.148 4.714 -0.566 1
1 926 . 6 1 1 A 85 85 TYR C C 85 173.845 175.162 -1.317 1
1 927 . 6 1 1 A 85 85 TYR CA C 85 59.520 57.474 2.046 1
1 928 . 6 1 1 A 85 85 TYR CB C 85 38.105 38.964 -0.859 1
1 929 . 6 1 1 A 85 85 TYR N N 85 123.769 121.760 2.009 1
1 930 . 6 1 1 A 86 86 VAL H H 86 7.755 8.085 -0.330 1
1 931 . 6 1 1 A 86 86 VAL HA H 86 3.402 4.097 -0.695 1
1 939 . 6 1 1 A 86 86 VAL C C 86 173.896 175.209 -1.313 1
1 940 . 6 1 1 A 86 86 VAL CA C 86 62.779 61.862 0.917 1
1 941 . 6 1 1 A 86 86 VAL CB C 86 31.843 32.585 -0.742 1
1 944 . 6 1 1 A 86 86 VAL N N 86 130.130 124.445 5.685 1
1 945 . 6 1 1 A 87 87 LEU H H 87 7.069 8.490 -1.421 1
1 946 . 6 1 1 A 87 87 LEU HA H 87 3.833 5.113 -1.280 1
1 956 . 6 1 1 A 87 87 LEU C C 87 176.432 175.447 0.985 1
1 957 . 6 1 1 A 87 87 LEU CA C 87 55.977 53.431 2.546 1
1 958 . 6 1 1 A 87 87 LEU CB C 87 42.126 44.733 -2.607 1
1 962 . 6 1 1 A 87 87 LEU N N 87 121.577 125.173 -3.596 1
1 963 . 6 1 1 A 88 88 ASN H H 88 8.705 8.665 0.040 1
1 964 . 6 1 1 A 88 88 ASN HA H 88 4.717 5.086 -0.369 1
1 967 . 6 1 1 A 88 88 ASN C C 88 173.156 174.025 -0.869 1
1 968 . 6 1 1 A 88 88 ASN CA C 88 51.471 52.646 -1.175 1
1 969 . 6 1 1 A 88 88 ASN CB C 88 41.622 42.354 -0.732 1
1 970 . 6 1 1 A 88 88 ASN N N 88 120.561 118.263 2.298 1
1 971 . 6 1 1 A 89 89 ASP H H 89 8.482 8.755 -0.273 1
1 972 . 6 1 1 A 89 89 ASP HA H 89 3.937 4.171 -0.234 1
1 975 . 6 1 1 A 89 89 ASP C C 89 178.751 177.011 1.740 1
1 976 . 6 1 1 A 89 89 ASP CA C 89 56.268 56.110 0.158 1
1 977 . 6 1 1 A 89 89 ASP CB C 89 40.380 40.188 0.192 1
1 978 . 6 1 1 A 89 89 ASP N N 89 122.084 122.753 -0.669 1
1 979 . 6 1 1 A 90 90 GLY H H 90 9.334 8.667 0.667 1
1 980 . 6 1 1 A 90 90 GLY HA2 H 90 4.314 4.029 0.285 1
1 981 . 6 1 1 A 90 90 GLY HA3 H 90 3.619 4.032 -0.413 1
1 982 . 6 1 1 A 90 90 GLY C C 90 174.907 174.075 0.832 1
1 983 . 6 1 1 A 90 90 GLY CA C 90 45.076 45.115 -0.039 1
1 984 . 6 1 1 A 90 90 GLY N N 90 117.218 112.001 5.217 1
1 985 . 6 1 1 A 91 91 ASP H H 91 7.987 7.627 0.360 1
1 986 . 6 1 1 A 91 91 ASP HA H 91 4.745 4.997 -0.252 1
1 989 . 6 1 1 A 91 91 ASP C C 91 175.436 175.055 0.381 1
1 990 . 6 1 1 A 91 91 ASP CA C 91 55.954 53.462 2.492 1
1 991 . 6 1 1 A 91 91 ASP CB C 91 41.876 43.370 -1.494 1
1 992 . 6 1 1 A 91 91 ASP N N 91 122.336 120.902 1.434 1
1 993 . 6 1 1 A 92 92 THR H H 92 8.227 8.716 -0.489 1
1 994 . 6 1 1 A 92 92 THR HA H 92 5.093 5.192 -0.099 1
1 999 . 6 1 1 A 92 92 THR C C 92 173.702 172.773 0.929 1
1 1000 . 6 1 1 A 92 92 THR CA C 92 61.477 61.639 -0.162 1
1 1001 . 6 1 1 A 92 92 THR CB C 92 70.032 71.115 -1.083 1
1 1003 . 6 1 1 A 92 92 THR N N 92 115.456 117.060 -1.604 1
1 1004 . 6 1 1 A 93 93 VAL H H 93 9.039 9.268 -0.229 1
1 1005 . 6 1 1 A 93 93 VAL HA H 93 4.731 5.038 -0.307 1
1 1013 . 6 1 1 A 93 93 VAL C C 93 173.391 173.842 -0.451 1
1 1014 . 6 1 1 A 93 93 VAL CA C 93 59.984 59.363 0.621 1
1 1015 . 6 1 1 A 93 93 VAL CB C 93 33.978 34.279 -0.301 1
1 1018 . 6 1 1 A 93 93 VAL N N 93 129.109 127.228 1.881 1
1 1019 . 6 1 1 A 94 94 GLU H H 94 9.012 8.420 0.592 1
1 1020 . 6 1 1 A 94 94 GLU HA H 94 4.941 4.872 0.069 1
1 1025 . 6 1 1 A 94 94 GLU C C 94 173.669 175.227 -1.558 1
1 1026 . 6 1 1 A 94 94 GLU CA C 94 53.577 54.325 -0.748 1
1 1027 . 6 1 1 A 94 94 GLU CB C 94 32.853 33.163 -0.310 1
1 1029 . 6 1 1 A 94 94 GLU N N 94 126.881 127.109 -0.228 1
1 1030 . 6 1 1 A 95 95 PHE H H 95 9.012 8.464 0.548 1
1 1031 . 6 1 1 A 95 95 PHE HA H 95 4.941 5.120 -0.179 1
1 1034 . 6 1 1 A 95 95 PHE C C 95 174.687 174.792 -0.105 1
1 1035 . 6 1 1 A 95 95 PHE CA C 95 56.843 56.629 0.214 1
1 1036 . 6 1 1 A 95 95 PHE CB C 95 40.889 40.952 -0.063 1
1 1037 . 6 1 1 A 95 95 PHE N N 95 122.718 119.037 3.681 1
1 1038 . 6 1 1 A 96 96 ILE H H 96 9.292 9.157 0.135 1
1 1039 . 6 1 1 A 96 96 ILE HA H 96 4.573 4.724 -0.151 1
1 1049 . 6 1 1 A 96 96 ILE C C 96 175.897 175.675 0.222 1
1 1050 . 6 1 1 A 96 96 ILE CA C 96 59.748 60.416 -0.668 1
1 1051 . 6 1 1 A 96 96 ILE CB C 96 40.938 40.147 0.791 1
1 1055 . 6 1 1 A 96 96 ILE N N 96 123.112 124.642 -1.530 1
1 1056 . 6 1 1 A 97 97 SER H H 97 8.245 8.932 -0.687 1
1 1057 . 6 1 1 A 97 97 SER HA H 97 4.800 5.214 -0.414 1
1 1060 . 6 1 1 A 97 97 SER C C 97 175.130 174.781 0.349 1
1 1061 . 6 1 1 A 97 97 SER CA C 97 58.154 57.803 0.351 1
1 1062 . 6 1 1 A 97 97 SER CB C 97 63.137 64.552 -1.415 1
1 1063 . 6 1 1 A 97 97 SER N N 97 121.343 122.257 -0.914 1
1 1064 . 6 1 1 A 98 98 THR H H 98 8.181 8.606 -0.425 1
1 1065 . 6 1 1 A 98 98 THR HA H 98 4.549 4.596 -0.047 1
1 1070 . 6 1 1 A 98 98 THR C C 98 174.729 174.380 0.349 1
1 1071 . 6 1 1 A 98 98 THR CA C 98 61.603 62.186 -0.583 1
1 1072 . 6 1 1 A 98 98 THR CB C 98 69.890 70.472 -0.582 1
1 1074 . 6 1 1 A 98 98 THR N N 98 116.451 112.945 3.506 1
1 1075 . 6 1 1 A 99 99 LEU H H 99 8.033 7.642 0.391 1
1 1076 . 6 1 1 A 99 99 LEU HA H 99 4.234 4.119 0.115 1
1 1086 . 6 1 1 A 99 99 LEU C C 99 177.349 176.267 1.082 1
1 1087 . 6 1 1 A 99 99 LEU CA C 99 55.517 54.574 0.943 1
1 1088 . 6 1 1 A 99 99 LEU CB C 99 41.996 41.703 0.293 1
1 1092 . 6 1 1 A 99 99 LEU N N 99 122.869 122.755 0.114 1
1 1093 . 6 1 1 A 100 100 HIS H H 100 8.558 7.653 0.905 1
1 1094 . 6 1 1 A 100 100 HIS HA H 100 4.460 4.868 -0.408 1
1 1097 . 6 1 1 A 100 100 HIS C C 100 175.718 175.143 0.575 1
1 1098 . 6 1 1 A 100 100 HIS CA C 100 56.096 55.362 0.734 1
1 1099 . 6 1 1 A 100 100 HIS CB C 100 29.709 31.054 -1.345 1
1 1100 . 6 1 1 A 100 100 HIS N N 100 120.437 122.691 -2.254 1
1 1101 . 6 1 1 A 101 101 GLY H H 101 8.477 7.480 0.997 1
1 1102 . 6 1 1 A 101 101 GLY HA2 H 101 3.888 4.065 -0.177 1
1 1103 . 6 1 1 A 101 101 GLY HA3 H 101 3.888 4.134 -0.246 1
1 1104 . 6 1 1 A 101 101 GLY C C 101 174.614 172.892 1.722 1
1 1105 . 6 1 1 A 101 101 GLY CA C 101 45.529 45.558 -0.029 1
1 1106 . 6 1 1 A 101 101 GLY N N 101 110.340 108.007 2.333 1
1 7 . 7 1 1 A 2 2 SER H H 2 8.206 8.269 -0.063 1
1 8 . 7 1 1 A 2 2 SER N N 2 126.498 112.908 13.590 1
1 9 . 7 1 1 A 3 3 ASN HA H 3 5.166 5.013 0.153 1
1 12 . 7 1 1 A 3 3 ASN C C 3 175.527 176.121 -0.594 1
1 13 . 7 1 1 A 3 3 ASN CA C 3 51.466 53.848 -2.382 1
1 14 . 7 1 1 A 3 3 ASN CB C 3 39.931 40.197 -0.266 1
1 15 . 7 1 1 A 4 4 HIS H H 4 8.859 7.918 0.941 1
1 16 . 7 1 1 A 4 4 HIS HA H 4 4.165 4.597 -0.432 1
1 19 . 7 1 1 A 4 4 HIS C C 4 175.897 174.611 1.286 1
1 20 . 7 1 1 A 4 4 HIS CA C 4 56.644 57.554 -0.910 1
1 21 . 7 1 1 A 4 4 HIS CB C 4 30.122 28.525 1.597 1
1 22 . 7 1 1 A 4 4 HIS N N 4 120.656 115.729 4.927 1
1 23 . 7 1 1 A 5 5 ASN H H 5 8.263 8.516 -0.253 1
1 24 . 7 1 1 A 5 5 ASN HA H 5 4.274 5.619 -1.345 1
1 27 . 7 1 1 A 5 5 ASN C C 5 177.939 174.809 3.130 1
1 28 . 7 1 1 A 5 5 ASN CA C 5 57.261 51.789 5.472 1
1 29 . 7 1 1 A 5 5 ASN CB C 5 38.232 40.682 -2.450 1
1 30 . 7 1 1 A 5 5 ASN N N 5 121.699 117.042 4.657 1
1 31 . 7 1 1 A 6 6 HIS H H 6 9.675 8.814 0.861 1
1 32 . 7 1 1 A 6 6 HIS HA H 6 5.261 4.920 0.341 1
1 35 . 7 1 1 A 6 6 HIS C C 6 171.876 172.983 -1.107 1
1 36 . 7 1 1 A 6 6 HIS CA C 6 56.016 55.583 0.433 1
1 37 . 7 1 1 A 6 6 HIS CB C 6 31.324 32.472 -1.148 1
1 38 . 7 1 1 A 6 6 HIS N N 6 117.245 118.968 -1.723 1
1 39 . 7 1 1 A 7 7 ILE H H 7 7.753 8.588 -0.835 1
1 40 . 7 1 1 A 7 7 ILE HA H 7 4.442 4.870 -0.428 1
1 50 . 7 1 1 A 7 7 ILE C C 7 174.518 174.798 -0.280 1
1 51 . 7 1 1 A 7 7 ILE CA C 7 57.922 59.495 -1.573 1
1 52 . 7 1 1 A 7 7 ILE CB C 7 39.790 41.875 -2.085 1
1 56 . 7 1 1 A 7 7 ILE N N 7 126.114 120.317 5.797 1
1 57 . 7 1 1 A 8 8 THR H H 8 8.238 8.245 -0.007 1
1 58 . 7 1 1 A 8 8 THR HA H 8 4.733 4.629 0.104 1
1 63 . 7 1 1 A 8 8 THR C C 8 172.672 172.524 0.148 1
1 64 . 7 1 1 A 8 8 THR CA C 8 62.203 61.604 0.599 1
1 65 . 7 1 1 A 8 8 THR CB C 8 70.202 69.203 0.999 1
1 67 . 7 1 1 A 8 8 THR N N 8 123.879 122.186 1.693 1
1 68 . 7 1 1 A 9 9 VAL H H 9 8.717 9.129 -0.412 1
1 69 . 7 1 1 A 9 9 VAL HA H 9 5.165 4.736 0.429 1
1 77 . 7 1 1 A 9 9 VAL C C 9 173.545 174.850 -1.305 1
1 78 . 7 1 1 A 9 9 VAL CA C 9 59.279 60.117 -0.838 1
1 79 . 7 1 1 A 9 9 VAL CB C 9 33.495 33.467 0.028 1
1 82 . 7 1 1 A 9 9 VAL N N 9 124.808 127.816 -3.008 1
1 83 . 7 1 1 A 10 10 GLN H H 10 8.863 8.361 0.502 1
1 84 . 7 1 1 A 10 10 GLN HA H 10 4.841 4.712 0.129 1
1 87 . 7 1 1 A 10 10 GLN C C 10 173.774 173.890 -0.116 1
1 88 . 7 1 1 A 10 10 GLN CA C 10 53.092 53.354 -0.262 1
1 89 . 7 1 1 A 10 10 GLN CB C 10 32.226 32.653 -0.427 1
1 91 . 7 1 1 A 10 10 GLN N N 10 123.709 126.042 -2.333 1
1 92 . 7 1 1 A 11 11 PHE H H 11 8.252 8.239 0.013 1
1 93 . 7 1 1 A 11 11 PHE HA H 11 5.661 5.502 0.159 1
1 96 . 7 1 1 A 11 11 PHE C C 11 175.180 174.948 0.232 1
1 97 . 7 1 1 A 11 11 PHE CA C 11 55.799 56.619 -0.820 1
1 98 . 7 1 1 A 11 11 PHE CB C 11 43.197 43.602 -0.405 1
1 99 . 7 1 1 A 11 11 PHE N N 11 119.002 116.654 2.348 1
1 100 . 7 1 1 A 12 12 ALA H H 12 8.989 8.295 0.694 1
1 101 . 7 1 1 A 12 12 ALA HA H 12 4.971 4.893 0.078 1
1 105 . 7 1 1 A 12 12 ALA C C 12 179.413 178.020 1.393 1
1 106 . 7 1 1 A 12 12 ALA CA C 12 51.675 51.312 0.363 1
1 107 . 7 1 1 A 12 12 ALA CB C 12 23.716 22.829 0.887 1
1 108 . 7 1 1 A 12 12 ALA N N 12 123.388 122.627 0.761 1
1 109 . 7 1 1 A 13 13 GLY H H 13 9.188 8.772 0.416 1
1 110 . 7 1 1 A 13 13 GLY HA2 H 13 4.477 3.881 0.596 1
1 111 . 7 1 1 A 13 13 GLY HA3 H 13 3.937 3.891 0.046 1
1 112 . 7 1 1 A 13 13 GLY C C 13 173.600 175.082 -1.482 1
1 113 . 7 1 1 A 13 13 GLY CA C 13 46.252 47.248 -0.996 1
1 114 . 7 1 1 A 13 13 GLY N N 13 110.134 108.200 1.934 1
1 115 . 7 1 1 A 14 14 GLY H H 14 9.510 8.302 1.208 1
1 116 . 7 1 1 A 14 14 GLY HA2 H 14 4.600 4.156 0.444 1
1 117 . 7 1 1 A 14 14 GLY HA3 H 14 3.453 4.162 -0.709 1
1 118 . 7 1 1 A 14 14 GLY C C 14 177.136 175.048 2.088 1
1 119 . 7 1 1 A 14 14 GLY CA C 14 44.792 45.412 -0.620 1
1 120 . 7 1 1 A 14 14 GLY N N 14 109.966 113.662 -3.696 1
1 121 . 7 1 1 A 15 15 CYS H H 15 7.748 7.616 0.132 1
1 122 . 7 1 1 A 15 15 CYS HA H 15 3.883 4.427 -0.544 1
1 125 . 7 1 1 A 15 15 CYS C C 15 175.011 176.575 -1.564 1
1 126 . 7 1 1 A 15 15 CYS CA C 15 62.034 60.997 1.037 1
1 127 . 7 1 1 A 15 15 CYS N N 15 121.082 119.441 1.641 1
1 128 . 7 1 1 A 16 16 GLU H H 16 7.837 8.463 -0.626 1
1 129 . 7 1 1 A 16 16 GLU HA H 16 4.009 3.871 0.138 1
1 134 . 7 1 1 A 16 16 GLU C C 16 178.419 177.624 0.795 1
1 135 . 7 1 1 A 16 16 GLU CA C 16 58.599 58.755 -0.156 1
1 136 . 7 1 1 A 16 16 GLU CB C 16 27.745 28.633 -0.888 1
1 138 . 7 1 1 A 16 16 GLU N N 16 120.416 118.285 2.131 1
1 139 . 7 1 1 A 17 17 LEU H H 17 7.626 7.897 -0.271 1
1 140 . 7 1 1 A 17 17 LEU HA H 17 3.927 4.153 -0.226 1
1 150 . 7 1 1 A 17 17 LEU C C 17 178.349 177.585 0.764 1
1 151 . 7 1 1 A 17 17 LEU CA C 17 57.105 56.455 0.650 1
1 152 . 7 1 1 A 17 17 LEU CB C 17 40.474 41.550 -1.076 1
1 156 . 7 1 1 A 17 17 LEU N N 17 122.648 120.965 1.683 1
1 157 . 7 1 1 A 18 18 LEU H H 18 7.488 7.606 -0.118 1
1 158 . 7 1 1 A 18 18 LEU HA H 18 4.143 4.250 -0.107 1
1 168 . 7 1 1 A 18 18 LEU C C 18 175.859 176.641 -0.782 1
1 169 . 7 1 1 A 18 18 LEU CA C 18 55.729 54.731 0.998 1
1 170 . 7 1 1 A 18 18 LEU CB C 18 40.532 41.422 -0.890 1
1 174 . 7 1 1 A 18 18 LEU N N 18 117.565 117.837 -0.272 1
1 175 . 7 1 1 A 19 19 PHE H H 19 7.164 7.676 -0.512 1
1 176 . 7 1 1 A 19 19 PHE HA H 19 4.395 4.944 -0.549 1
1 179 . 7 1 1 A 19 19 PHE C C 19 176.362 175.501 0.861 1
1 180 . 7 1 1 A 19 19 PHE CA C 19 56.373 58.903 -2.530 1
1 181 . 7 1 1 A 19 19 PHE CB C 19 39.143 40.815 -1.672 1
1 182 . 7 1 1 A 19 19 PHE N N 19 117.899 120.244 -2.345 1
1 183 . 7 1 1 A 20 20 ALA H H 20 8.780 7.653 1.127 1
1 184 . 7 1 1 A 20 20 ALA HA H 20 4.087 4.418 -0.331 1
1 188 . 7 1 1 A 20 20 ALA C C 20 176.512 177.261 -0.749 1
1 189 . 7 1 1 A 20 20 ALA CA C 20 53.279 51.257 2.022 1
1 190 . 7 1 1 A 20 20 ALA CB C 20 17.047 19.085 -2.038 1
1 191 . 7 1 1 A 20 20 ALA N N 20 123.417 119.472 3.945 1
1 192 . 7 1 1 A 21 21 LYS H H 21 7.825 7.944 -0.119 1
1 193 . 7 1 1 A 21 21 LYS HA H 21 3.181 3.841 -0.660 1
1 202 . 7 1 1 A 21 21 LYS C C 21 175.295 175.679 -0.384 1
1 203 . 7 1 1 A 21 21 LYS CA C 21 58.666 57.329 1.337 1
1 204 . 7 1 1 A 21 21 LYS CB C 21 29.784 29.615 0.169 1
1 208 . 7 1 1 A 21 21 LYS N N 21 108.448 112.738 -4.290 1
1 209 . 7 1 1 A 22 22 GLN H H 22 7.611 8.205 -0.594 1
1 210 . 7 1 1 A 22 22 GLN HA H 22 4.429 4.459 -0.030 1
1 215 . 7 1 1 A 22 22 GLN C C 22 174.967 176.319 -1.352 1
1 216 . 7 1 1 A 22 22 GLN CA C 22 56.105 56.246 -0.141 1
1 217 . 7 1 1 A 22 22 GLN CB C 22 29.548 29.881 -0.333 1
1 219 . 7 1 1 A 22 22 GLN N N 22 120.482 118.229 2.253 1
1 220 . 7 1 1 A 23 23 THR H H 23 8.201 8.840 -0.639 1
1 221 . 7 1 1 A 23 23 THR HA H 23 4.491 4.495 -0.004 1
1 226 . 7 1 1 A 23 23 THR C C 23 175.012 174.971 0.041 1
1 227 . 7 1 1 A 23 23 THR CA C 23 62.436 62.482 -0.046 1
1 228 . 7 1 1 A 23 23 THR CB C 23 69.501 68.715 0.786 1
1 229 . 7 1 1 A 23 23 THR N N 23 110.354 114.741 -4.387 1
1 230 . 7 1 1 A 24 24 SER H H 24 7.751 7.938 -0.187 1
1 231 . 7 1 1 A 24 24 SER HA H 24 5.136 4.766 0.370 1
1 234 . 7 1 1 A 24 24 SER C C 24 172.623 172.788 -0.165 1
1 235 . 7 1 1 A 24 24 SER CA C 24 57.192 56.965 0.227 1
1 236 . 7 1 1 A 24 24 SER CB C 24 65.459 66.079 -0.620 1
1 237 . 7 1 1 A 24 24 SER N N 24 114.575 114.095 0.480 1
1 238 . 7 1 1 A 25 25 LEU H H 25 9.272 8.979 0.293 1
1 239 . 7 1 1 A 25 25 LEU HA H 25 4.531 4.945 -0.414 1
1 249 . 7 1 1 A 25 25 LEU C C 25 174.436 175.727 -1.291 1
1 250 . 7 1 1 A 25 25 LEU CA C 25 53.929 53.616 0.313 1
1 251 . 7 1 1 A 25 25 LEU CB C 25 45.561 46.515 -0.954 1
1 255 . 7 1 1 A 25 25 LEU N N 25 124.288 122.489 1.799 1
1 256 . 7 1 1 A 26 26 GLN H H 26 8.573 8.554 0.019 1
1 257 . 7 1 1 A 26 26 GLN HA H 26 4.607 5.396 -0.789 1
1 262 . 7 1 1 A 26 26 GLN C C 26 173.250 174.745 -1.495 1
1 263 . 7 1 1 A 26 26 GLN CA C 26 54.207 54.293 -0.086 1
1 264 . 7 1 1 A 26 26 GLN CB C 26 27.813 30.837 -3.024 1
1 266 . 7 1 1 A 26 26 GLN N N 26 122.971 120.018 2.953 1
1 267 . 7 1 1 A 27 27 LEU H H 27 8.753 9.010 -0.257 1
1 268 . 7 1 1 A 27 27 LEU HA H 27 4.414 4.999 -0.585 1
1 272 . 7 1 1 A 27 27 LEU C C 27 175.313 175.226 0.087 1
1 273 . 7 1 1 A 27 27 LEU CA C 27 53.132 53.349 -0.217 1
1 274 . 7 1 1 A 27 27 LEU CB C 27 40.489 44.242 -3.753 1
1 278 . 7 1 1 A 27 27 LEU N N 27 126.504 126.187 0.317 1
1 279 . 7 1 1 A 28 28 ASP H H 28 8.568 8.862 -0.294 1
1 280 . 7 1 1 A 28 28 ASP HA H 28 4.414 5.532 -1.118 1
1 283 . 7 1 1 A 28 28 ASP C C 28 176.147 175.200 0.947 1
1 284 . 7 1 1 A 28 28 ASP CA C 28 53.407 52.285 1.122 1
1 285 . 7 1 1 A 28 28 ASP CB C 28 40.535 44.236 -3.701 1
1 286 . 7 1 1 A 28 28 ASP N N 28 112.805 124.069 -11.264 1
1 287 . 7 1 1 A 29 29 GLY H H 29 7.770 8.962 -1.192 1
1 288 . 7 1 1 A 29 29 GLY HA2 H 29 3.942 4.304 -0.362 1
1 289 . 7 1 1 A 29 29 GLY HA3 H 29 3.806 4.306 -0.500 1
1 290 . 7 1 1 A 29 29 GLY C C 29 174.455 174.471 -0.016 1
1 291 . 7 1 1 A 29 29 GLY CA C 29 47.297 43.828 3.469 1
1 292 . 7 1 1 A 29 29 GLY N N 29 129.863 113.320 16.543 1
1 293 . 7 1 1 A 30 30 VAL H H 30 7.792 8.659 -0.867 1
1 294 . 7 1 1 A 30 30 VAL HA H 30 4.391 4.277 0.114 1
1 302 . 7 1 1 A 30 30 VAL C C 30 174.315 176.021 -1.706 1
1 303 . 7 1 1 A 30 30 VAL CA C 30 62.180 62.371 -0.191 1
1 304 . 7 1 1 A 30 30 VAL CB C 30 35.931 33.122 2.809 1
1 307 . 7 1 1 A 30 30 VAL N N 30 112.711 116.238 -3.527 1
1 308 . 7 1 1 A 31 31 VAL H H 31 8.748 7.768 0.980 1
1 309 . 7 1 1 A 31 31 VAL C C 31 172.882 174.828 -1.946 1
1 310 . 7 1 1 A 31 31 VAL CA C 31 62.284 59.339 2.945 1
1 311 . 7 1 1 A 31 31 VAL CB C 31 33.804 31.590 2.214 1
1 312 . 7 1 1 A 31 31 VAL N N 31 123.316 119.479 3.837 1
1 313 . 7 1 1 A 32 32 PRO HA H 32 5.038 4.422 0.616 1
1 320 . 7 1 1 A 32 32 PRO C C 32 179.633 177.961 1.672 1
1 321 . 7 1 1 A 32 32 PRO CA C 32 63.073 64.237 -1.164 1
1 322 . 7 1 1 A 32 32 PRO CB C 32 32.421 31.838 0.583 1
1 325 . 7 1 1 A 33 33 THR H H 33 8.739 7.871 0.868 1
1 326 . 7 1 1 A 33 33 THR HA H 33 3.896 3.925 -0.029 1
1 331 . 7 1 1 A 33 33 THR C C 33 174.735 176.425 -1.690 1
1 332 . 7 1 1 A 33 33 THR CA C 33 64.329 66.201 -1.872 1
1 333 . 7 1 1 A 33 33 THR CB C 33 67.929 68.286 -0.357 1
1 335 . 7 1 1 A 33 33 THR N N 33 120.858 111.930 8.928 1
1 336 . 7 1 1 A 34 34 GLY H H 34 8.303 8.055 0.248 1
1 337 . 7 1 1 A 34 34 GLY HA2 H 34 4.359 3.916 0.443 1
1 338 . 7 1 1 A 34 34 GLY HA3 H 34 3.451 3.921 -0.470 1
1 339 . 7 1 1 A 34 34 GLY C C 34 174.037 173.290 0.747 1
1 340 . 7 1 1 A 34 34 GLY CA C 34 45.067 45.782 -0.715 1
1 341 . 7 1 1 A 34 34 GLY N N 34 114.645 108.595 6.050 1
1 342 . 7 1 1 A 35 35 THR H H 35 7.405 7.308 0.097 1
1 343 . 7 1 1 A 35 35 THR HA H 35 4.073 5.029 -0.956 1
1 348 . 7 1 1 A 35 35 THR C C 35 174.540 173.374 1.166 1
1 349 . 7 1 1 A 35 35 THR CA C 35 65.137 61.125 4.012 1
1 350 . 7 1 1 A 35 35 THR CB C 35 69.484 71.692 -2.208 1
1 352 . 7 1 1 A 35 35 THR N N 35 117.340 114.290 3.050 1
1 353 . 7 1 1 A 36 36 ASN H H 36 8.836 8.632 0.204 1
1 354 . 7 1 1 A 36 36 ASN HA H 36 5.686 5.352 0.334 1
1 357 . 7 1 1 A 36 36 ASN C C 36 176.512 175.882 0.630 1
1 358 . 7 1 1 A 36 36 ASN CA C 36 50.439 51.508 -1.069 1
1 359 . 7 1 1 A 36 36 ASN CB C 36 40.274 40.229 0.045 1
1 360 . 7 1 1 A 36 36 ASN N N 36 127.379 122.777 4.602 1
1 361 . 7 1 1 A 37 37 LEU H H 37 8.045 8.479 -0.434 1
1 362 . 7 1 1 A 37 37 LEU HA H 37 4.142 4.095 0.047 1
1 372 . 7 1 1 A 37 37 LEU C C 37 178.931 178.059 0.872 1
1 373 . 7 1 1 A 37 37 LEU CA C 37 59.274 58.495 0.779 1
1 374 . 7 1 1 A 37 37 LEU CB C 37 42.159 41.395 0.764 1
1 378 . 7 1 1 A 37 37 LEU N N 37 119.164 119.525 -0.361 1
1 379 . 7 1 1 A 38 38 ASN H H 38 7.959 8.286 -0.327 1
1 380 . 7 1 1 A 38 38 ASN HA H 38 4.502 4.405 0.097 1
1 383 . 7 1 1 A 38 38 ASN C C 38 178.691 178.137 0.554 1
1 384 . 7 1 1 A 38 38 ASN CA C 38 57.080 56.496 0.584 1
1 385 . 7 1 1 A 38 38 ASN CB C 38 38.367 38.922 -0.555 1
1 386 . 7 1 1 A 38 38 ASN N N 38 118.522 117.134 1.388 1
1 387 . 7 1 1 A 39 39 GLY H H 39 8.828 8.015 0.813 1
1 388 . 7 1 1 A 39 39 GLY HA2 H 39 4.088 3.746 0.342 1
1 389 . 7 1 1 A 39 39 GLY HA3 H 39 3.911 3.746 0.165 1
1 390 . 7 1 1 A 39 39 GLY C C 39 177.320 175.614 1.706 1
1 391 . 7 1 1 A 39 39 GLY CA C 39 46.879 47.123 -0.244 1
1 392 . 7 1 1 A 39 39 GLY N N 39 109.615 107.144 2.471 1
1 393 . 7 1 1 A 40 40 LEU H H 40 8.829 8.367 0.462 1
1 394 . 7 1 1 A 40 40 LEU HA H 40 4.504 4.111 0.393 1
1 404 . 7 1 1 A 40 40 LEU C C 40 177.788 178.535 -0.747 1
1 405 . 7 1 1 A 40 40 LEU CA C 40 57.770 57.527 0.243 1
1 406 . 7 1 1 A 40 40 LEU CB C 40 41.713 41.709 0.004 1
1 410 . 7 1 1 A 40 40 LEU N N 40 125.884 123.130 2.754 1
1 411 . 7 1 1 A 41 41 VAL H H 41 8.333 8.427 -0.094 1
1 412 . 7 1 1 A 41 41 VAL HA H 41 3.328 3.859 -0.531 1
1 420 . 7 1 1 A 41 41 VAL C C 41 177.556 177.821 -0.265 1
1 421 . 7 1 1 A 41 41 VAL CA C 41 67.977 65.324 2.653 1
1 422 . 7 1 1 A 41 41 VAL CB C 41 31.080 31.177 -0.097 1
1 425 . 7 1 1 A 41 41 VAL N N 41 120.213 116.920 3.293 1
1 426 . 7 1 1 A 42 42 GLN H H 42 7.672 7.906 -0.234 1
1 427 . 7 1 1 A 42 42 GLN HA H 42 3.866 3.975 -0.109 1
1 432 . 7 1 1 A 42 42 GLN C C 42 177.980 177.959 0.021 1
1 433 . 7 1 1 A 42 42 GLN CA C 42 58.694 59.011 -0.317 1
1 434 . 7 1 1 A 42 42 GLN CB C 42 27.809 28.439 -0.630 1
1 436 . 7 1 1 A 42 42 GLN N N 42 116.386 122.013 -5.627 1
1 437 . 7 1 1 A 43 43 LEU H H 43 8.080 7.535 0.545 1
1 438 . 7 1 1 A 43 43 LEU HA H 43 4.225 4.164 0.061 1
1 448 . 7 1 1 A 43 43 LEU C C 43 179.999 178.377 1.622 1
1 449 . 7 1 1 A 43 43 LEU CA C 43 58.275 57.167 1.108 1
1 450 . 7 1 1 A 43 43 LEU CB C 43 43.046 41.099 1.947 1
1 454 . 7 1 1 A 43 43 LEU N N 43 122.204 120.561 1.643 1
1 455 . 7 1 1 A 44 44 LEU H H 44 8.810 8.186 0.624 1
1 456 . 7 1 1 A 44 44 LEU HA H 44 4.384 4.318 0.066 1
1 466 . 7 1 1 A 44 44 LEU C C 44 179.311 178.826 0.485 1
1 467 . 7 1 1 A 44 44 LEU CA C 44 58.397 57.116 1.281 1
1 468 . 7 1 1 A 44 44 LEU CB C 44 41.553 42.567 -1.014 1
1 472 . 7 1 1 A 44 44 LEU N N 44 119.371 118.025 1.346 1
1 473 . 7 1 1 A 45 45 LYS H H 45 8.652 8.584 0.068 1
1 474 . 7 1 1 A 45 45 LYS HA H 45 3.678 4.149 -0.471 1
1 483 . 7 1 1 A 45 45 LYS C C 45 177.005 179.072 -2.067 1
1 484 . 7 1 1 A 45 45 LYS CA C 45 60.016 59.034 0.982 1
1 485 . 7 1 1 A 45 45 LYS CB C 45 32.411 32.286 0.125 1
1 489 . 7 1 1 A 45 45 LYS N N 45 120.434 120.244 0.190 1
1 490 . 7 1 1 A 46 46 THR H H 46 8.180 8.327 -0.147 1
1 491 . 7 1 1 A 46 46 THR HA H 46 4.027 4.089 -0.062 1
1 496 . 7 1 1 A 46 46 THR C C 46 176.217 176.168 0.049 1
1 497 . 7 1 1 A 46 46 THR CA C 46 65.173 65.689 -0.516 1
1 498 . 7 1 1 A 46 46 THR CB C 46 69.680 68.586 1.094 1
1 500 . 7 1 1 A 46 46 THR N N 46 109.149 115.479 -6.330 1
1 501 . 7 1 1 A 47 47 ASN H H 47 8.170 7.850 0.320 1
1 502 . 7 1 1 A 47 47 ASN HA H 47 4.785 4.680 0.105 1
1 505 . 7 1 1 A 47 47 ASN C C 47 175.267 175.331 -0.064 1
1 506 . 7 1 1 A 47 47 ASN CA C 47 54.213 54.745 -0.532 1
1 507 . 7 1 1 A 47 47 ASN CB C 47 40.712 39.817 0.895 1
1 508 . 7 1 1 A 47 47 ASN N N 47 116.045 117.763 -1.718 1
1 509 . 7 1 1 A 48 48 TYR H H 48 8.094 8.084 0.010 1
1 510 . 7 1 1 A 48 48 TYR HA H 48 4.695 5.187 -0.492 1
1 513 . 7 1 1 A 48 48 TYR C C 48 175.011 176.478 -1.467 1
1 514 . 7 1 1 A 48 48 TYR CA C 48 60.273 56.274 3.999 1
1 515 . 7 1 1 A 48 48 TYR CB C 48 41.189 38.055 3.134 1
1 516 . 7 1 1 A 48 48 TYR N N 48 115.849 116.797 -0.948 1
1 517 . 7 1 1 A 49 49 VAL H H 49 7.769 7.935 -0.166 1
1 518 . 7 1 1 A 49 49 VAL HA H 49 3.715 4.252 -0.537 1
1 526 . 7 1 1 A 49 49 VAL C C 49 176.157 176.311 -0.154 1
1 527 . 7 1 1 A 49 49 VAL CA C 49 63.454 63.969 -0.515 1
1 528 . 7 1 1 A 49 49 VAL CB C 49 31.695 33.099 -1.404 1
1 531 . 7 1 1 A 49 49 VAL N N 49 120.510 121.616 -1.106 1
1 532 . 7 1 1 A 50 50 LYS H H 50 8.334 8.048 0.286 1
1 533 . 7 1 1 A 50 50 LYS HA H 50 4.242 4.052 0.190 1
1 542 . 7 1 1 A 50 50 LYS C C 50 176.562 175.534 1.028 1
1 543 . 7 1 1 A 50 50 LYS CA C 50 55.979 58.315 -2.336 1
1 544 . 7 1 1 A 50 50 LYS CB C 50 32.822 30.935 1.887 1
1 548 . 7 1 1 A 50 50 LYS N N 50 125.933 121.080 4.853 1
1 549 . 7 1 1 A 51 51 GLU H H 51 7.598 8.410 -0.812 1
1 550 . 7 1 1 A 51 51 GLU HA H 51 4.328 4.522 -0.194 1
1 553 . 7 1 1 A 51 51 GLU C C 51 172.975 175.637 -2.662 1
1 554 . 7 1 1 A 51 51 GLU CA C 51 55.074 55.178 -0.104 1
1 555 . 7 1 1 A 51 51 GLU CB C 51 32.633 31.964 0.669 1
1 557 . 7 1 1 A 51 51 GLU N N 51 117.804 120.810 -3.006 1
1 558 . 7 1 1 A 52 52 ARG H H 52 8.383 8.505 -0.122 1
1 559 . 7 1 1 A 52 52 ARG CA C 52 53.279 54.861 -1.582 1
1 560 . 7 1 1 A 52 52 ARG CB C 52 26.615 29.973 -3.358 1
1 561 . 7 1 1 A 52 52 ARG N N 52 111.793 122.391 -10.598 1
1 562 . 7 1 1 A 53 53 PRO HA H 53 4.029 4.503 -0.474 1
1 569 . 7 1 1 A 53 53 PRO C C 53 177.018 177.296 -0.278 1
1 570 . 7 1 1 A 53 53 PRO CA C 53 65.474 64.267 1.207 1
1 571 . 7 1 1 A 53 53 PRO CB C 53 30.916 31.853 -0.937 1
1 574 . 7 1 1 A 53 53 PRO N N 53 111.793 137.827 -26.034 1
1 575 . 7 1 1 A 54 54 ASP H H 54 8.462 8.522 -0.060 1
1 576 . 7 1 1 A 54 54 ASP HA H 54 4.345 4.664 -0.319 1
1 579 . 7 1 1 A 54 54 ASP C C 54 176.493 177.229 -0.736 1
1 580 . 7 1 1 A 54 54 ASP CA C 54 54.982 54.708 0.274 1
1 581 . 7 1 1 A 54 54 ASP CB C 54 39.451 41.129 -1.678 1
1 582 . 7 1 1 A 54 54 ASP N N 54 113.848 117.063 -3.215 1
1 583 . 7 1 1 A 55 55 LEU H H 55 7.766 7.847 -0.081 1
1 584 . 7 1 1 A 55 55 LEU HA H 55 4.235 4.170 0.065 1
1 594 . 7 1 1 A 55 55 LEU C C 55 175.873 178.334 -2.461 1
1 595 . 7 1 1 A 55 55 LEU CA C 55 55.305 56.796 -1.491 1
1 596 . 7 1 1 A 55 55 LEU CB C 55 41.271 42.031 -0.760 1
1 600 . 7 1 1 A 55 55 LEU N N 55 117.721 116.787 0.934 1
1 601 . 7 1 1 A 56 56 LEU H H 56 7.630 7.671 -0.041 1
1 602 . 7 1 1 A 56 56 LEU HA H 56 4.552 4.428 0.124 1
1 612 . 7 1 1 A 56 56 LEU C C 56 175.341 177.083 -1.742 1
1 613 . 7 1 1 A 56 56 LEU CA C 56 55.516 56.267 -0.751 1
1 614 . 7 1 1 A 56 56 LEU CB C 56 44.910 42.823 2.087 1
1 618 . 7 1 1 A 56 56 LEU N N 56 118.796 116.674 2.122 1
1 619 . 7 1 1 A 57 57 VAL H H 57 7.206 7.311 -0.105 1
1 620 . 7 1 1 A 57 57 VAL HA H 57 5.048 4.205 0.843 1
1 628 . 7 1 1 A 57 57 VAL C C 57 175.020 175.984 -0.964 1
1 629 . 7 1 1 A 57 57 VAL CA C 57 58.550 62.091 -3.541 1
1 630 . 7 1 1 A 57 57 VAL CB C 57 35.049 32.697 2.352 1
1 633 . 7 1 1 A 57 57 VAL N N 57 106.872 120.141 -13.269 1
1 634 . 7 1 1 A 58 58 ASP H H 58 8.447 9.354 -0.907 1
1 635 . 7 1 1 A 58 58 ASP HA H 58 4.459 4.336 0.123 1
1 638 . 7 1 1 A 58 58 ASP C C 58 177.406 176.869 0.537 1
1 639 . 7 1 1 A 58 58 ASP CA C 58 53.130 56.835 -3.705 1
1 640 . 7 1 1 A 58 58 ASP CB C 58 40.985 41.424 -0.439 1
1 641 . 7 1 1 A 58 58 ASP N N 58 118.741 123.919 -5.178 1
1 642 . 7 1 1 A 59 59 GLN H H 59 8.883 7.871 1.012 1
1 643 . 7 1 1 A 59 59 GLN HA H 59 4.031 4.609 -0.578 1
1 648 . 7 1 1 A 59 59 GLN C C 59 177.499 176.536 0.963 1
1 649 . 7 1 1 A 59 59 GLN CA C 59 59.120 57.241 1.879 1
1 650 . 7 1 1 A 59 59 GLN CB C 59 28.389 31.311 -2.922 1
1 652 . 7 1 1 A 59 59 GLN N N 59 119.603 117.139 2.464 1
1 653 . 7 1 1 A 60 60 THR H H 60 8.060 8.041 0.019 1
1 654 . 7 1 1 A 60 60 THR HA H 60 4.296 4.447 -0.151 1
1 659 . 7 1 1 A 60 60 THR C C 60 176.363 174.738 1.625 1
1 660 . 7 1 1 A 60 60 THR CA C 60 63.358 62.258 1.100 1
1 661 . 7 1 1 A 60 60 THR CB C 60 70.577 69.052 1.525 1
1 663 . 7 1 1 A 60 60 THR N N 60 109.323 113.633 -4.310 1
1 664 . 7 1 1 A 61 61 GLY H H 61 8.001 7.993 0.008 1
1 665 . 7 1 1 A 61 61 GLY HA2 H 61 4.173 3.894 0.279 1
1 666 . 7 1 1 A 61 61 GLY HA3 H 61 3.610 3.896 -0.286 1
1 667 . 7 1 1 A 61 61 GLY C C 61 174.049 174.389 -0.340 1
1 668 . 7 1 1 A 61 61 GLY CA C 61 45.301 46.404 -1.103 1
1 669 . 7 1 1 A 61 61 GLY N N 61 109.323 110.188 -0.865 1
1 670 . 7 1 1 A 62 62 GLN H H 62 8.091 7.856 0.235 1
1 671 . 7 1 1 A 62 62 GLN HA H 62 4.172 4.868 -0.696 1
1 674 . 7 1 1 A 62 62 GLN C C 62 175.201 174.847 0.354 1
1 675 . 7 1 1 A 62 62 GLN CA C 62 56.474 57.038 -0.564 1
1 676 . 7 1 1 A 62 62 GLN CB C 62 30.618 31.134 -0.516 1
1 678 . 7 1 1 A 62 62 GLN N N 62 117.247 119.970 -2.723 1
1 679 . 7 1 1 A 63 63 THR H H 63 7.740 7.978 -0.238 1
1 680 . 7 1 1 A 63 63 THR HA H 63 4.624 4.834 -0.210 1
1 685 . 7 1 1 A 63 63 THR C C 63 172.622 172.579 0.043 1
1 686 . 7 1 1 A 63 63 THR CA C 63 59.718 59.427 0.291 1
1 687 . 7 1 1 A 63 63 THR CB C 63 70.832 71.466 -0.634 1
1 689 . 7 1 1 A 63 63 THR N N 63 113.860 112.830 1.030 1
1 690 . 7 1 1 A 64 64 LEU H H 64 8.364 8.823 -0.459 1
1 691 . 7 1 1 A 64 64 LEU HA H 64 4.324 4.841 -0.517 1
1 701 . 7 1 1 A 64 64 LEU C C 64 176.311 176.776 -0.465 1
1 702 . 7 1 1 A 64 64 LEU CA C 64 55.025 53.586 1.439 1
1 703 . 7 1 1 A 64 64 LEU CB C 64 43.871 43.260 0.611 1
1 707 . 7 1 1 A 64 64 LEU N N 64 123.689 124.148 -0.459 1
1 708 . 7 1 1 A 65 65 ARG H H 65 8.192 9.285 -1.093 1
1 709 . 7 1 1 A 65 65 ARG C C 65 173.609 176.768 -3.159 1
1 710 . 7 1 1 A 65 65 ARG CA C 65 55.287 55.298 -0.011 1
1 711 . 7 1 1 A 65 65 ARG CB C 65 29.681 30.313 -0.632 1
1 712 . 7 1 1 A 65 65 ARG N N 65 126.639 122.253 4.386 1
1 713 . 7 1 1 A 66 66 PRO HA H 66 4.390 4.246 0.144 1
1 720 . 7 1 1 A 66 66 PRO C C 66 177.030 178.914 -1.884 1
1 721 . 7 1 1 A 66 66 PRO CA C 66 63.719 65.302 -1.583 1
1 722 . 7 1 1 A 66 66 PRO CB C 66 31.825 31.769 0.056 1
1 725 . 7 1 1 A 66 66 PRO N N 66 126.639 135.985 -9.346 1
1 726 . 7 1 1 A 67 67 GLY H H 67 8.744 8.442 0.302 1
1 727 . 7 1 1 A 67 67 GLY HA2 H 67 4.232 3.920 0.312 1
1 728 . 7 1 1 A 67 67 GLY HA3 H 67 3.544 3.933 -0.389 1
1 729 . 7 1 1 A 67 67 GLY C C 67 174.319 174.634 -0.315 1
1 730 . 7 1 1 A 67 67 GLY CA C 67 44.818 47.040 -2.222 1
1 731 . 7 1 1 A 68 68 ILE H H 68 7.522 7.704 -0.182 1
1 732 . 7 1 1 A 68 68 ILE HA H 68 4.690 4.792 -0.102 1
1 742 . 7 1 1 A 68 68 ILE C C 68 174.703 175.218 -0.515 1
1 743 . 7 1 1 A 68 68 ILE CA C 68 61.047 60.451 0.596 1
1 744 . 7 1 1 A 68 68 ILE CB C 68 38.090 39.529 -1.439 1
1 748 . 7 1 1 A 68 68 ILE N N 68 121.049 120.179 0.870 1
1 749 . 7 1 1 A 69 69 LEU H H 69 9.207 9.226 -0.019 1
1 750 . 7 1 1 A 69 69 LEU HA H 69 4.449 5.072 -0.623 1
1 760 . 7 1 1 A 69 69 LEU C C 69 174.991 175.665 -0.674 1
1 761 . 7 1 1 A 69 69 LEU CA C 69 54.106 53.640 0.466 1
1 762 . 7 1 1 A 69 69 LEU CB C 69 43.588 42.857 0.731 1
1 766 . 7 1 1 A 69 69 LEU N N 69 131.197 127.154 4.043 1
1 767 . 7 1 1 A 70 70 VAL H H 70 8.149 8.667 -0.518 1
1 768 . 7 1 1 A 70 70 VAL HA H 70 4.955 4.489 0.466 1
1 776 . 7 1 1 A 70 70 VAL C C 70 175.167 175.464 -0.297 1
1 777 . 7 1 1 A 70 70 VAL CA C 70 59.928 61.310 -1.382 1
1 778 . 7 1 1 A 70 70 VAL CB C 70 33.239 32.729 0.510 1
1 781 . 7 1 1 A 70 70 VAL N N 70 121.953 123.713 -1.760 1
1 782 . 7 1 1 A 71 71 LEU H H 71 8.881 8.317 0.564 1
1 783 . 7 1 1 A 71 71 LEU HA H 71 4.922 5.041 -0.119 1
1 793 . 7 1 1 A 71 71 LEU C C 71 176.487 175.446 1.041 1
1 794 . 7 1 1 A 71 71 LEU CA C 71 52.627 53.041 -0.414 1
1 795 . 7 1 1 A 71 71 LEU CB C 71 44.487 44.554 -0.067 1
1 799 . 7 1 1 A 71 71 LEU N N 71 126.071 127.712 -1.641 1
1 800 . 7 1 1 A 72 72 VAL H H 72 9.048 9.222 -0.174 1
1 801 . 7 1 1 A 72 72 VAL HA H 72 4.351 4.724 -0.373 1
1 809 . 7 1 1 A 72 72 VAL C C 72 176.078 176.354 -0.276 1
1 810 . 7 1 1 A 72 72 VAL CA C 72 60.886 60.964 -0.078 1
1 811 . 7 1 1 A 72 72 VAL CB C 72 33.141 31.365 1.776 1
1 814 . 7 1 1 A 72 72 VAL N N 72 120.969 124.726 -3.757 1
1 815 . 7 1 1 A 73 73 ASN H H 73 9.630 9.299 0.331 1
1 816 . 7 1 1 A 73 73 ASN HA H 73 4.335 4.297 0.038 1
1 821 . 7 1 1 A 73 73 ASN C C 73 175.496 174.297 1.199 1
1 822 . 7 1 1 A 73 73 ASN CA C 73 54.736 53.941 0.795 1
1 823 . 7 1 1 A 73 73 ASN CB C 73 36.825 37.183 -0.358 1
1 824 . 7 1 1 A 73 73 ASN N N 73 129.082 126.069 3.013 1
1 825 . 7 1 1 A 74 74 SER H H 74 9.308 8.485 0.823 1
1 826 . 7 1 1 A 74 74 SER C C 74 172.584 172.708 -0.124 1
1 827 . 7 1 1 A 74 74 SER N N 74 106.084 106.146 -0.062 1
1 828 . 7 1 1 A 75 75 CYS H H 75 7.845 7.644 0.201 1
1 829 . 7 1 1 A 75 75 CYS C C 75 176.045 172.770 3.275 1
1 830 . 7 1 1 A 75 75 CYS CA C 75 57.152 58.210 -1.058 1
1 831 . 7 1 1 A 75 75 CYS CB C 75 29.101 30.246 -1.145 1
1 832 . 7 1 1 A 75 75 CYS N N 75 120.460 117.665 2.795 1
1 833 . 7 1 1 A 76 76 ASP H H 76 8.766 8.760 0.006 1
1 834 . 7 1 1 A 76 76 ASP HA H 76 4.295 4.650 -0.355 1
1 837 . 7 1 1 A 76 76 ASP C C 76 177.713 177.599 0.114 1
1 838 . 7 1 1 A 76 76 ASP CA C 76 55.721 54.964 0.757 1
1 839 . 7 1 1 A 76 76 ASP CB C 76 41.513 41.142 0.371 1
1 840 . 7 1 1 A 76 76 ASP N N 76 126.661 127.540 -0.879 1
1 841 . 7 1 1 A 77 77 ALA H H 77 8.555 8.739 -0.184 1
1 842 . 7 1 1 A 77 77 ALA HA H 77 3.688 3.829 -0.141 1
1 846 . 7 1 1 A 77 77 ALA C C 77 180.149 179.426 0.723 1
1 847 . 7 1 1 A 77 77 ALA CA C 77 54.334 54.880 -0.546 1
1 848 . 7 1 1 A 77 77 ALA CB C 77 18.453 18.204 0.249 1
1 849 . 7 1 1 A 77 77 ALA N N 77 128.302 126.255 2.047 1
1 850 . 7 1 1 A 78 78 GLU H H 78 9.034 8.397 0.637 1
1 851 . 7 1 1 A 78 78 GLU HA H 78 3.763 4.107 -0.344 1
1 856 . 7 1 1 A 78 78 GLU C C 78 179.359 178.388 0.971 1
1 857 . 7 1 1 A 78 78 GLU CA C 78 59.569 59.153 0.416 1
1 858 . 7 1 1 A 78 78 GLU CB C 78 29.511 28.457 1.054 1
1 860 . 7 1 1 A 78 78 GLU N N 78 117.499 116.338 1.161 1
1 861 . 7 1 1 A 79 79 VAL H H 79 7.753 7.728 0.025 1
1 862 . 7 1 1 A 79 79 VAL HA H 79 3.927 3.765 0.162 1
1 870 . 7 1 1 A 79 79 VAL C C 79 177.408 176.978 0.430 1
1 871 . 7 1 1 A 79 79 VAL CA C 79 64.439 65.589 -1.150 1
1 872 . 7 1 1 A 79 79 VAL CB C 79 31.904 31.803 0.101 1
1 875 . 7 1 1 A 79 79 VAL N N 79 115.536 121.314 -5.778 1
1 876 . 7 1 1 A 80 80 VAL H H 80 7.123 7.103 0.020 1
1 877 . 7 1 1 A 80 80 VAL HA H 80 4.443 4.373 0.070 1
1 885 . 7 1 1 A 80 80 VAL C C 80 175.020 177.514 -2.494 1
1 886 . 7 1 1 A 80 80 VAL CA C 80 60.286 62.417 -2.131 1
1 887 . 7 1 1 A 80 80 VAL CB C 80 30.948 33.540 -2.592 1
1 890 . 7 1 1 A 80 80 VAL N N 80 109.738 115.832 -6.094 1
1 891 . 7 1 1 A 81 81 GLY H H 81 7.210 8.126 -0.916 1
1 892 . 7 1 1 A 81 81 GLY HA2 H 81 4.511 4.149 0.362 1
1 893 . 7 1 1 A 81 81 GLY HA3 H 81 3.664 4.186 -0.522 1
1 894 . 7 1 1 A 81 81 GLY C C 81 175.262 175.434 -0.172 1
1 895 . 7 1 1 A 81 81 GLY CA C 81 44.964 45.848 -0.884 1
1 896 . 7 1 1 A 81 81 GLY N N 81 106.697 109.589 -2.892 1
1 897 . 7 1 1 A 82 82 GLY H H 82 8.673 8.585 0.088 1
1 898 . 7 1 1 A 82 82 GLY HA2 H 82 4.022 4.016 0.006 1
1 899 . 7 1 1 A 82 82 GLY HA3 H 82 3.150 4.028 -0.878 1
1 900 . 7 1 1 A 82 82 GLY C C 82 174.547 174.082 0.465 1
1 901 . 7 1 1 A 82 82 GLY CA C 82 45.151 45.633 -0.482 1
1 902 . 7 1 1 A 82 82 GLY N N 82 111.931 107.437 4.494 1
1 903 . 7 1 1 A 83 83 MET H H 83 8.841 8.157 0.684 1
1 904 . 7 1 1 A 83 83 MET HA H 83 4.582 4.809 -0.227 1
1 909 . 7 1 1 A 83 83 MET C C 83 176.001 175.378 0.623 1
1 910 . 7 1 1 A 83 83 MET CA C 83 55.737 54.331 1.406 1
1 911 . 7 1 1 A 83 83 MET CB C 83 30.273 33.155 -2.882 1
1 913 . 7 1 1 A 83 83 MET N N 83 119.840 119.193 0.647 1
1 914 . 7 1 1 A 84 84 ASP H H 84 7.395 8.318 -0.923 1
1 915 . 7 1 1 A 84 84 ASP HA H 84 4.695 5.019 -0.324 1
1 918 . 7 1 1 A 84 84 ASP C C 84 176.694 175.081 1.613 1
1 919 . 7 1 1 A 84 84 ASP CA C 84 54.300 53.073 1.227 1
1 920 . 7 1 1 A 84 84 ASP CB C 84 41.551 41.788 -0.237 1
1 921 . 7 1 1 A 84 84 ASP N N 84 114.478 120.710 -6.232 1
1 922 . 7 1 1 A 85 85 TYR H H 85 7.930 7.939 -0.009 1
1 923 . 7 1 1 A 85 85 TYR HA H 85 4.148 4.544 -0.396 1
1 926 . 7 1 1 A 85 85 TYR C C 85 173.845 175.265 -1.420 1
1 927 . 7 1 1 A 85 85 TYR CA C 85 59.520 57.593 1.927 1
1 928 . 7 1 1 A 85 85 TYR CB C 85 38.105 38.834 -0.729 1
1 929 . 7 1 1 A 85 85 TYR N N 85 123.769 121.702 2.067 1
1 930 . 7 1 1 A 86 86 VAL H H 86 7.755 8.056 -0.301 1
1 931 . 7 1 1 A 86 86 VAL HA H 86 3.402 4.039 -0.637 1
1 939 . 7 1 1 A 86 86 VAL C C 86 173.896 175.491 -1.595 1
1 940 . 7 1 1 A 86 86 VAL CA C 86 62.779 61.536 1.243 1
1 941 . 7 1 1 A 86 86 VAL CB C 86 31.843 32.795 -0.952 1
1 944 . 7 1 1 A 86 86 VAL N N 86 130.130 124.459 5.671 1
1 945 . 7 1 1 A 87 87 LEU H H 87 7.069 7.985 -0.916 1
1 946 . 7 1 1 A 87 87 LEU HA H 87 3.833 5.232 -1.399 1
1 956 . 7 1 1 A 87 87 LEU C C 87 176.432 175.937 0.495 1
1 957 . 7 1 1 A 87 87 LEU CA C 87 55.977 53.708 2.269 1
1 958 . 7 1 1 A 87 87 LEU CB C 87 42.126 45.520 -3.394 1
1 962 . 7 1 1 A 87 87 LEU N N 87 121.577 122.714 -1.137 1
1 963 . 7 1 1 A 88 88 ASN H H 88 8.705 8.661 0.044 1
1 964 . 7 1 1 A 88 88 ASN HA H 88 4.717 5.004 -0.287 1
1 967 . 7 1 1 A 88 88 ASN C C 88 173.156 174.407 -1.251 1
1 968 . 7 1 1 A 88 88 ASN CA C 88 51.471 51.958 -0.487 1
1 969 . 7 1 1 A 88 88 ASN CB C 88 41.622 39.625 1.997 1
1 970 . 7 1 1 A 88 88 ASN N N 88 120.561 120.704 -0.143 1
1 971 . 7 1 1 A 89 89 ASP H H 89 8.482 8.313 0.169 1
1 972 . 7 1 1 A 89 89 ASP HA H 89 3.937 4.546 -0.609 1
1 975 . 7 1 1 A 89 89 ASP C C 89 178.751 176.279 2.472 1
1 976 . 7 1 1 A 89 89 ASP CA C 89 56.268 55.366 0.902 1
1 977 . 7 1 1 A 89 89 ASP CB C 89 40.380 39.652 0.728 1
1 978 . 7 1 1 A 89 89 ASP N N 89 122.084 115.874 6.210 1
1 979 . 7 1 1 A 90 90 GLY H H 90 9.334 8.357 0.977 1
1 980 . 7 1 1 A 90 90 GLY HA2 H 90 4.314 3.908 0.406 1
1 981 . 7 1 1 A 90 90 GLY HA3 H 90 3.619 3.914 -0.295 1
1 982 . 7 1 1 A 90 90 GLY C C 90 174.907 173.716 1.191 1
1 983 . 7 1 1 A 90 90 GLY CA C 90 45.076 45.623 -0.547 1
1 984 . 7 1 1 A 90 90 GLY N N 90 117.218 111.780 5.438 1
1 985 . 7 1 1 A 91 91 ASP H H 91 7.987 8.110 -0.123 1
1 986 . 7 1 1 A 91 91 ASP HA H 91 4.745 4.877 -0.132 1
1 989 . 7 1 1 A 91 91 ASP C C 91 175.436 175.320 0.116 1
1 990 . 7 1 1 A 91 91 ASP CA C 91 55.954 53.308 2.646 1
1 991 . 7 1 1 A 91 91 ASP CB C 91 41.876 41.467 0.409 1
1 992 . 7 1 1 A 91 91 ASP N N 91 122.336 121.421 0.915 1
1 993 . 7 1 1 A 92 92 THR H H 92 8.227 8.705 -0.478 1
1 994 . 7 1 1 A 92 92 THR HA H 92 5.093 4.567 0.526 1
1 999 . 7 1 1 A 92 92 THR C C 92 173.702 173.684 0.018 1
1 1000 . 7 1 1 A 92 92 THR CA C 92 61.477 62.797 -1.320 1
1 1001 . 7 1 1 A 92 92 THR CB C 92 70.032 69.670 0.362 1
1 1003 . 7 1 1 A 92 92 THR N N 92 115.456 122.517 -7.061 1
1 1004 . 7 1 1 A 93 93 VAL H H 93 9.039 8.590 0.449 1
1 1005 . 7 1 1 A 93 93 VAL HA H 93 4.731 4.778 -0.047 1
1 1013 . 7 1 1 A 93 93 VAL C C 93 173.391 173.314 0.077 1
1 1014 . 7 1 1 A 93 93 VAL CA C 93 59.984 59.987 -0.003 1
1 1015 . 7 1 1 A 93 93 VAL CB C 93 33.978 34.916 -0.938 1
1 1018 . 7 1 1 A 93 93 VAL N N 93 129.109 125.317 3.792 1
1 1019 . 7 1 1 A 94 94 GLU H H 94 9.012 8.346 0.666 1
1 1020 . 7 1 1 A 94 94 GLU HA H 94 4.941 4.968 -0.027 1
1 1025 . 7 1 1 A 94 94 GLU C C 94 173.669 174.953 -1.284 1
1 1026 . 7 1 1 A 94 94 GLU CA C 94 53.577 54.277 -0.700 1
1 1027 . 7 1 1 A 94 94 GLU CB C 94 32.853 33.351 -0.498 1
1 1029 . 7 1 1 A 94 94 GLU N N 94 126.881 126.989 -0.108 1
1 1030 . 7 1 1 A 95 95 PHE H H 95 9.012 8.407 0.605 1
1 1031 . 7 1 1 A 95 95 PHE HA H 95 4.941 5.182 -0.241 1
1 1034 . 7 1 1 A 95 95 PHE C C 95 174.687 174.516 0.171 1
1 1035 . 7 1 1 A 95 95 PHE CA C 95 56.843 56.532 0.311 1
1 1036 . 7 1 1 A 95 95 PHE CB C 95 40.889 40.624 0.265 1
1 1037 . 7 1 1 A 95 95 PHE N N 95 122.718 119.937 2.781 1
1 1038 . 7 1 1 A 96 96 ILE H H 96 9.292 8.840 0.452 1
1 1039 . 7 1 1 A 96 96 ILE HA H 96 4.573 4.760 -0.187 1
1 1049 . 7 1 1 A 96 96 ILE C C 96 175.897 175.908 -0.011 1
1 1050 . 7 1 1 A 96 96 ILE CA C 96 59.748 60.663 -0.915 1
1 1051 . 7 1 1 A 96 96 ILE CB C 96 40.938 39.266 1.672 1
1 1055 . 7 1 1 A 96 96 ILE N N 96 123.112 125.186 -2.074 1
1 1056 . 7 1 1 A 97 97 SER H H 97 8.245 8.963 -0.718 1
1 1057 . 7 1 1 A 97 97 SER HA H 97 4.800 4.902 -0.102 1
1 1060 . 7 1 1 A 97 97 SER C C 97 175.130 174.611 0.519 1
1 1061 . 7 1 1 A 97 97 SER CA C 97 58.154 58.002 0.152 1
1 1062 . 7 1 1 A 97 97 SER CB C 97 63.137 64.516 -1.379 1
1 1063 . 7 1 1 A 97 97 SER N N 97 121.343 122.962 -1.619 1
1 1064 . 7 1 1 A 98 98 THR H H 98 8.181 8.901 -0.720 1
1 1065 . 7 1 1 A 98 98 THR HA H 98 4.549 4.611 -0.062 1
1 1070 . 7 1 1 A 98 98 THR C C 98 174.729 174.218 0.511 1
1 1071 . 7 1 1 A 98 98 THR CA C 98 61.603 62.241 -0.638 1
1 1072 . 7 1 1 A 98 98 THR CB C 98 69.890 69.897 -0.007 1
1 1074 . 7 1 1 A 98 98 THR N N 98 116.451 113.609 2.842 1
1 1075 . 7 1 1 A 99 99 LEU H H 99 8.033 7.877 0.156 1
1 1076 . 7 1 1 A 99 99 LEU HA H 99 4.234 4.683 -0.449 1
1 1086 . 7 1 1 A 99 99 LEU C C 99 177.349 175.699 1.650 1
1 1087 . 7 1 1 A 99 99 LEU CA C 99 55.517 53.965 1.552 1
1 1088 . 7 1 1 A 99 99 LEU CB C 99 41.996 43.395 -1.399 1
1 1092 . 7 1 1 A 99 99 LEU N N 99 122.869 123.531 -0.662 1
1 1093 . 7 1 1 A 100 100 HIS H H 100 8.558 8.487 0.071 1
1 1094 . 7 1 1 A 100 100 HIS HA H 100 4.460 5.000 -0.540 1
1 1097 . 7 1 1 A 100 100 HIS C C 100 175.718 174.996 0.722 1
1 1098 . 7 1 1 A 100 100 HIS CA C 100 56.096 54.145 1.951 1
1 1099 . 7 1 1 A 100 100 HIS CB C 100 29.709 32.306 -2.597 1
1 1100 . 7 1 1 A 100 100 HIS N N 100 120.437 123.186 -2.749 1
1 1101 . 7 1 1 A 101 101 GLY H H 101 8.477 8.604 -0.127 1
1 1102 . 7 1 1 A 101 101 GLY HA2 H 101 3.888 3.898 -0.010 1
1 1103 . 7 1 1 A 101 101 GLY HA3 H 101 3.888 3.952 -0.064 1
1 1104 . 7 1 1 A 101 101 GLY C C 101 174.614 175.098 -0.484 1
1 1105 . 7 1 1 A 101 101 GLY CA C 101 45.529 45.236 0.293 1
1 1106 . 7 1 1 A 101 101 GLY N N 101 110.340 107.615 2.725 1
1 7 . 8 1 1 A 2 2 SER H H 2 8.206 7.646 0.560 1
1 8 . 8 1 1 A 2 2 SER N N 2 126.498 113.381 13.117 1
1 9 . 8 1 1 A 3 3 ASN HA H 3 5.166 4.952 0.214 1
1 12 . 8 1 1 A 3 3 ASN C C 3 175.527 175.707 -0.180 1
1 13 . 8 1 1 A 3 3 ASN CA C 3 51.466 54.443 -2.977 1
1 14 . 8 1 1 A 3 3 ASN CB C 3 39.931 40.708 -0.777 1
1 15 . 8 1 1 A 4 4 HIS H H 4 8.859 7.809 1.050 1
1 16 . 8 1 1 A 4 4 HIS HA H 4 4.165 4.464 -0.299 1
1 19 . 8 1 1 A 4 4 HIS C C 4 175.897 176.042 -0.145 1
1 20 . 8 1 1 A 4 4 HIS CA C 4 56.644 56.709 -0.065 1
1 21 . 8 1 1 A 4 4 HIS CB C 4 30.122 30.554 -0.432 1
1 22 . 8 1 1 A 4 4 HIS N N 4 120.656 117.664 2.992 1
1 23 . 8 1 1 A 5 5 ASN H H 5 8.263 8.953 -0.690 1
1 24 . 8 1 1 A 5 5 ASN HA H 5 4.274 4.607 -0.333 1
1 27 . 8 1 1 A 5 5 ASN C C 5 177.939 174.337 3.602 1
1 28 . 8 1 1 A 5 5 ASN CA C 5 57.261 54.716 2.545 1
1 29 . 8 1 1 A 5 5 ASN CB C 5 38.232 38.275 -0.043 1
1 30 . 8 1 1 A 5 5 ASN N N 5 121.699 118.933 2.766 1
1 31 . 8 1 1 A 6 6 HIS H H 6 9.675 8.082 1.593 1
1 32 . 8 1 1 A 6 6 HIS HA H 6 5.261 5.284 -0.023 1
1 35 . 8 1 1 A 6 6 HIS C C 6 171.876 174.568 -2.692 1
1 36 . 8 1 1 A 6 6 HIS CA C 6 56.016 54.523 1.493 1
1 37 . 8 1 1 A 6 6 HIS CB C 6 31.324 32.194 -0.870 1
1 38 . 8 1 1 A 6 6 HIS N N 6 117.245 118.113 -0.868 1
1 39 . 8 1 1 A 7 7 ILE H H 7 7.753 8.949 -1.196 1
1 40 . 8 1 1 A 7 7 ILE HA H 7 4.442 4.651 -0.209 1
1 50 . 8 1 1 A 7 7 ILE C C 7 174.518 175.241 -0.723 1
1 51 . 8 1 1 A 7 7 ILE CA C 7 57.922 59.962 -2.040 1
1 52 . 8 1 1 A 7 7 ILE CB C 7 39.790 40.221 -0.431 1
1 56 . 8 1 1 A 7 7 ILE N N 7 126.114 122.301 3.813 1
1 57 . 8 1 1 A 8 8 THR H H 8 8.238 9.490 -1.252 1
1 58 . 8 1 1 A 8 8 THR HA H 8 4.733 4.568 0.165 1
1 63 . 8 1 1 A 8 8 THR C C 8 172.672 172.851 -0.179 1
1 64 . 8 1 1 A 8 8 THR CA C 8 62.203 62.257 -0.054 1
1 65 . 8 1 1 A 8 8 THR CB C 8 70.202 68.165 2.037 1
1 67 . 8 1 1 A 8 8 THR N N 8 123.879 123.376 0.503 1
1 68 . 8 1 1 A 9 9 VAL H H 9 8.717 8.780 -0.063 1
1 69 . 8 1 1 A 9 9 VAL HA H 9 5.165 5.058 0.107 1
1 77 . 8 1 1 A 9 9 VAL C C 9 173.545 174.601 -1.056 1
1 78 . 8 1 1 A 9 9 VAL CA C 9 59.279 59.885 -0.606 1
1 79 . 8 1 1 A 9 9 VAL CB C 9 33.495 33.586 -0.091 1
1 82 . 8 1 1 A 9 9 VAL N N 9 124.808 126.722 -1.914 1
1 83 . 8 1 1 A 10 10 GLN H H 10 8.863 8.320 0.543 1
1 84 . 8 1 1 A 10 10 GLN HA H 10 4.841 4.984 -0.143 1
1 87 . 8 1 1 A 10 10 GLN C C 10 173.774 173.893 -0.119 1
1 88 . 8 1 1 A 10 10 GLN CA C 10 53.092 53.286 -0.194 1
1 89 . 8 1 1 A 10 10 GLN CB C 10 32.226 32.766 -0.540 1
1 91 . 8 1 1 A 10 10 GLN N N 10 123.709 126.392 -2.683 1
1 92 . 8 1 1 A 11 11 PHE H H 11 8.252 8.615 -0.363 1
1 93 . 8 1 1 A 11 11 PHE HA H 11 5.661 5.397 0.264 1
1 96 . 8 1 1 A 11 11 PHE C C 11 175.180 174.966 0.214 1
1 97 . 8 1 1 A 11 11 PHE CA C 11 55.799 56.802 -1.003 1
1 98 . 8 1 1 A 11 11 PHE CB C 11 43.197 43.304 -0.107 1
1 99 . 8 1 1 A 11 11 PHE N N 11 119.002 116.266 2.736 1
1 100 . 8 1 1 A 12 12 ALA H H 12 8.989 8.409 0.580 1
1 101 . 8 1 1 A 12 12 ALA HA H 12 4.971 5.029 -0.058 1
1 105 . 8 1 1 A 12 12 ALA C C 12 179.413 176.844 2.569 1
1 106 . 8 1 1 A 12 12 ALA CA C 12 51.675 52.013 -0.338 1
1 107 . 8 1 1 A 12 12 ALA CB C 12 23.716 21.243 2.473 1
1 108 . 8 1 1 A 12 12 ALA N N 12 123.388 123.111 0.277 1
1 109 . 8 1 1 A 13 13 GLY H H 13 9.188 8.356 0.832 1
1 110 . 8 1 1 A 13 13 GLY HA2 H 13 4.477 4.013 0.464 1
1 111 . 8 1 1 A 13 13 GLY HA3 H 13 3.937 4.025 -0.088 1
1 112 . 8 1 1 A 13 13 GLY C C 13 173.600 175.586 -1.986 1
1 113 . 8 1 1 A 13 13 GLY CA C 13 46.252 45.838 0.414 1
1 114 . 8 1 1 A 13 13 GLY N N 13 110.134 112.116 -1.982 1
1 115 . 8 1 1 A 14 14 GLY H H 14 9.510 8.757 0.753 1
1 116 . 8 1 1 A 14 14 GLY HA2 H 14 4.600 3.933 0.667 1
1 117 . 8 1 1 A 14 14 GLY HA3 H 14 3.453 3.939 -0.486 1
1 118 . 8 1 1 A 14 14 GLY C C 14 177.136 174.445 2.691 1
1 119 . 8 1 1 A 14 14 GLY CA C 14 44.792 45.972 -1.180 1
1 120 . 8 1 1 A 14 14 GLY N N 14 109.966 106.225 3.741 1
1 121 . 8 1 1 A 15 15 CYS H H 15 7.748 8.208 -0.460 1
1 122 . 8 1 1 A 15 15 CYS HA H 15 3.883 4.601 -0.718 1
1 125 . 8 1 1 A 15 15 CYS C C 15 175.011 176.525 -1.514 1
1 126 . 8 1 1 A 15 15 CYS CA C 15 62.034 60.036 1.998 1
1 127 . 8 1 1 A 15 15 CYS N N 15 121.082 120.713 0.369 1
1 128 . 8 1 1 A 16 16 GLU H H 16 7.837 8.546 -0.709 1
1 129 . 8 1 1 A 16 16 GLU HA H 16 4.009 3.849 0.160 1
1 134 . 8 1 1 A 16 16 GLU C C 16 178.419 177.301 1.118 1
1 135 . 8 1 1 A 16 16 GLU CA C 16 58.599 58.722 -0.123 1
1 136 . 8 1 1 A 16 16 GLU CB C 16 27.745 28.261 -0.516 1
1 138 . 8 1 1 A 16 16 GLU N N 16 120.416 118.630 1.786 1
1 139 . 8 1 1 A 17 17 LEU H H 17 7.626 7.732 -0.106 1
1 140 . 8 1 1 A 17 17 LEU HA H 17 3.927 4.153 -0.226 1
1 150 . 8 1 1 A 17 17 LEU C C 17 178.349 177.435 0.914 1
1 151 . 8 1 1 A 17 17 LEU CA C 17 57.105 56.291 0.814 1
1 152 . 8 1 1 A 17 17 LEU CB C 17 40.474 41.564 -1.090 1
1 156 . 8 1 1 A 17 17 LEU N N 17 122.648 120.656 1.992 1
1 157 . 8 1 1 A 18 18 LEU H H 18 7.488 7.327 0.161 1
1 158 . 8 1 1 A 18 18 LEU HA H 18 4.143 4.306 -0.163 1
1 168 . 8 1 1 A 18 18 LEU C C 18 175.859 176.620 -0.761 1
1 169 . 8 1 1 A 18 18 LEU CA C 18 55.729 54.526 1.203 1
1 170 . 8 1 1 A 18 18 LEU CB C 18 40.532 41.401 -0.869 1
1 174 . 8 1 1 A 18 18 LEU N N 18 117.565 117.656 -0.091 1
1 175 . 8 1 1 A 19 19 PHE H H 19 7.164 7.670 -0.506 1
1 176 . 8 1 1 A 19 19 PHE HA H 19 4.395 4.939 -0.544 1
1 179 . 8 1 1 A 19 19 PHE C C 19 176.362 175.542 0.820 1
1 180 . 8 1 1 A 19 19 PHE CA C 19 56.373 58.803 -2.430 1
1 181 . 8 1 1 A 19 19 PHE CB C 19 39.143 40.763 -1.620 1
1 182 . 8 1 1 A 19 19 PHE N N 19 117.899 120.286 -2.387 1
1 183 . 8 1 1 A 20 20 ALA H H 20 8.780 7.573 1.207 1
1 184 . 8 1 1 A 20 20 ALA HA H 20 4.087 4.556 -0.469 1
1 188 . 8 1 1 A 20 20 ALA C C 20 176.512 177.505 -0.993 1
1 189 . 8 1 1 A 20 20 ALA CA C 20 53.279 51.506 1.773 1
1 190 . 8 1 1 A 20 20 ALA CB C 20 17.047 19.421 -2.374 1
1 191 . 8 1 1 A 20 20 ALA N N 20 123.417 119.796 3.621 1
1 192 . 8 1 1 A 21 21 LYS H H 21 7.825 8.023 -0.198 1
1 193 . 8 1 1 A 21 21 LYS HA H 21 3.181 3.810 -0.629 1
1 202 . 8 1 1 A 21 21 LYS C C 21 175.295 175.554 -0.259 1
1 203 . 8 1 1 A 21 21 LYS CA C 21 58.666 57.327 1.339 1
1 204 . 8 1 1 A 21 21 LYS CB C 21 29.784 29.616 0.168 1
1 208 . 8 1 1 A 21 21 LYS N N 21 108.448 112.487 -4.039 1
1 209 . 8 1 1 A 22 22 GLN H H 22 7.611 8.051 -0.440 1
1 210 . 8 1 1 A 22 22 GLN HA H 22 4.429 4.492 -0.063 1
1 215 . 8 1 1 A 22 22 GLN C C 22 174.967 176.584 -1.617 1
1 216 . 8 1 1 A 22 22 GLN CA C 22 56.105 55.574 0.531 1
1 217 . 8 1 1 A 22 22 GLN CB C 22 29.548 30.012 -0.464 1
1 219 . 8 1 1 A 22 22 GLN N N 22 120.482 118.470 2.012 1
1 220 . 8 1 1 A 23 23 THR H H 23 8.201 8.857 -0.656 1
1 221 . 8 1 1 A 23 23 THR HA H 23 4.491 4.598 -0.107 1
1 226 . 8 1 1 A 23 23 THR C C 23 175.012 175.090 -0.078 1
1 227 . 8 1 1 A 23 23 THR CA C 23 62.436 62.363 0.073 1
1 228 . 8 1 1 A 23 23 THR CB C 23 69.501 69.499 0.002 1
1 229 . 8 1 1 A 23 23 THR N N 23 110.354 113.661 -3.307 1
1 230 . 8 1 1 A 24 24 SER H H 24 7.751 7.256 0.495 1
1 231 . 8 1 1 A 24 24 SER HA H 24 5.136 4.790 0.346 1
1 234 . 8 1 1 A 24 24 SER C C 24 172.623 172.638 -0.015 1
1 235 . 8 1 1 A 24 24 SER CA C 24 57.192 57.629 -0.437 1
1 236 . 8 1 1 A 24 24 SER CB C 24 65.459 65.146 0.313 1
1 237 . 8 1 1 A 24 24 SER N N 24 114.575 112.924 1.651 1
1 238 . 8 1 1 A 25 25 LEU H H 25 9.272 9.239 0.033 1
1 239 . 8 1 1 A 25 25 LEU HA H 25 4.531 5.014 -0.483 1
1 249 . 8 1 1 A 25 25 LEU C C 25 174.436 174.142 0.294 1
1 250 . 8 1 1 A 25 25 LEU CA C 25 53.929 53.119 0.810 1
1 251 . 8 1 1 A 25 25 LEU CB C 25 45.561 46.652 -1.091 1
1 255 . 8 1 1 A 25 25 LEU N N 25 124.288 122.972 1.316 1
1 256 . 8 1 1 A 26 26 GLN H H 26 8.573 8.628 -0.055 1
1 257 . 8 1 1 A 26 26 GLN HA H 26 4.607 5.514 -0.907 1
1 262 . 8 1 1 A 26 26 GLN C C 26 173.250 174.657 -1.407 1
1 263 . 8 1 1 A 26 26 GLN CA C 26 54.207 54.263 -0.056 1
1 264 . 8 1 1 A 26 26 GLN CB C 26 27.813 31.268 -3.455 1
1 266 . 8 1 1 A 26 26 GLN N N 26 122.971 121.768 1.203 1
1 267 . 8 1 1 A 27 27 LEU H H 27 8.753 8.529 0.224 1
1 268 . 8 1 1 A 27 27 LEU HA H 27 4.414 4.816 -0.402 1
1 272 . 8 1 1 A 27 27 LEU C C 27 175.313 175.459 -0.146 1
1 273 . 8 1 1 A 27 27 LEU CA C 27 53.132 53.478 -0.346 1
1 274 . 8 1 1 A 27 27 LEU CB C 27 40.489 44.035 -3.546 1
1 278 . 8 1 1 A 27 27 LEU N N 27 126.504 126.176 0.328 1
1 279 . 8 1 1 A 28 28 ASP H H 28 8.568 8.666 -0.098 1
1 280 . 8 1 1 A 28 28 ASP HA H 28 4.414 4.972 -0.558 1
1 283 . 8 1 1 A 28 28 ASP C C 28 176.147 176.416 -0.269 1
1 284 . 8 1 1 A 28 28 ASP CA C 28 53.407 52.848 0.559 1
1 285 . 8 1 1 A 28 28 ASP CB C 28 40.535 41.751 -1.216 1
1 286 . 8 1 1 A 28 28 ASP N N 28 112.805 124.261 -11.456 1
1 287 . 8 1 1 A 29 29 GLY H H 29 7.770 8.264 -0.494 1
1 288 . 8 1 1 A 29 29 GLY HA2 H 29 3.942 4.148 -0.206 1
1 289 . 8 1 1 A 29 29 GLY HA3 H 29 3.806 4.150 -0.344 1
1 290 . 8 1 1 A 29 29 GLY C C 29 174.455 174.752 -0.297 1
1 291 . 8 1 1 A 29 29 GLY CA C 29 47.297 44.992 2.305 1
1 292 . 8 1 1 A 29 29 GLY N N 29 129.863 113.615 16.248 1
1 293 . 8 1 1 A 30 30 VAL H H 30 7.792 8.561 -0.769 1
1 294 . 8 1 1 A 30 30 VAL HA H 30 4.391 4.407 -0.016 1
1 302 . 8 1 1 A 30 30 VAL C C 30 174.315 175.791 -1.476 1
1 303 . 8 1 1 A 30 30 VAL CA C 30 62.180 62.012 0.168 1
1 304 . 8 1 1 A 30 30 VAL CB C 30 35.931 33.604 2.327 1
1 307 . 8 1 1 A 30 30 VAL N N 30 112.711 117.347 -4.636 1
1 308 . 8 1 1 A 31 31 VAL H H 31 8.748 7.960 0.788 1
1 309 . 8 1 1 A 31 31 VAL C C 31 172.882 174.476 -1.594 1
1 310 . 8 1 1 A 31 31 VAL CA C 31 62.284 58.987 3.297 1
1 311 . 8 1 1 A 31 31 VAL CB C 31 33.804 32.572 1.232 1
1 312 . 8 1 1 A 31 31 VAL N N 31 123.316 120.609 2.707 1
1 313 . 8 1 1 A 32 32 PRO HA H 32 5.038 4.334 0.704 1
1 320 . 8 1 1 A 32 32 PRO C C 32 179.633 178.776 0.857 1
1 321 . 8 1 1 A 32 32 PRO CA C 32 63.073 64.739 -1.666 1
1 322 . 8 1 1 A 32 32 PRO CB C 32 32.421 31.994 0.427 1
1 325 . 8 1 1 A 33 33 THR H H 33 8.739 7.681 1.058 1
1 326 . 8 1 1 A 33 33 THR HA H 33 3.896 3.943 -0.047 1
1 331 . 8 1 1 A 33 33 THR C C 33 174.735 175.954 -1.219 1
1 332 . 8 1 1 A 33 33 THR CA C 33 64.329 65.972 -1.643 1
1 333 . 8 1 1 A 33 33 THR CB C 33 67.929 68.303 -0.374 1
1 335 . 8 1 1 A 33 33 THR N N 33 120.858 111.498 9.360 1
1 336 . 8 1 1 A 34 34 GLY H H 34 8.303 8.004 0.299 1
1 337 . 8 1 1 A 34 34 GLY HA2 H 34 4.359 3.885 0.474 1
1 338 . 8 1 1 A 34 34 GLY HA3 H 34 3.451 3.889 -0.438 1
1 339 . 8 1 1 A 34 34 GLY C C 34 174.037 173.106 0.931 1
1 340 . 8 1 1 A 34 34 GLY CA C 34 45.067 46.084 -1.017 1
1 341 . 8 1 1 A 34 34 GLY N N 34 114.645 108.466 6.179 1
1 342 . 8 1 1 A 35 35 THR H H 35 7.405 7.367 0.038 1
1 343 . 8 1 1 A 35 35 THR HA H 35 4.073 5.011 -0.938 1
1 348 . 8 1 1 A 35 35 THR C C 35 174.540 173.566 0.974 1
1 349 . 8 1 1 A 35 35 THR CA C 35 65.137 61.207 3.930 1
1 350 . 8 1 1 A 35 35 THR CB C 35 69.484 71.879 -2.395 1
1 352 . 8 1 1 A 35 35 THR N N 35 117.340 113.755 3.585 1
1 353 . 8 1 1 A 36 36 ASN H H 36 8.836 8.657 0.179 1
1 354 . 8 1 1 A 36 36 ASN HA H 36 5.686 5.075 0.611 1
1 357 . 8 1 1 A 36 36 ASN C C 36 176.512 175.664 0.848 1
1 358 . 8 1 1 A 36 36 ASN CA C 36 50.439 51.699 -1.260 1
1 359 . 8 1 1 A 36 36 ASN CB C 36 40.274 40.067 0.207 1
1 360 . 8 1 1 A 36 36 ASN N N 36 127.379 123.805 3.574 1
1 361 . 8 1 1 A 37 37 LEU H H 37 8.045 8.446 -0.401 1
1 362 . 8 1 1 A 37 37 LEU HA H 37 4.142 4.085 0.057 1
1 372 . 8 1 1 A 37 37 LEU C C 37 178.931 178.088 0.843 1
1 373 . 8 1 1 A 37 37 LEU CA C 37 59.274 58.365 0.909 1
1 374 . 8 1 1 A 37 37 LEU CB C 37 42.159 41.427 0.732 1
1 378 . 8 1 1 A 37 37 LEU N N 37 119.164 118.782 0.382 1
1 379 . 8 1 1 A 38 38 ASN H H 38 7.959 8.497 -0.538 1
1 380 . 8 1 1 A 38 38 ASN HA H 38 4.502 4.432 0.070 1
1 383 . 8 1 1 A 38 38 ASN C C 38 178.691 178.098 0.593 1
1 384 . 8 1 1 A 38 38 ASN CA C 38 57.080 56.548 0.532 1
1 385 . 8 1 1 A 38 38 ASN CB C 38 38.367 38.506 -0.139 1
1 386 . 8 1 1 A 38 38 ASN N N 38 118.522 117.134 1.388 1
1 387 . 8 1 1 A 39 39 GLY H H 39 8.828 8.057 0.771 1
1 388 . 8 1 1 A 39 39 GLY HA2 H 39 4.088 3.686 0.402 1
1 389 . 8 1 1 A 39 39 GLY HA3 H 39 3.911 3.691 0.220 1
1 390 . 8 1 1 A 39 39 GLY C C 39 177.320 175.614 1.706 1
1 391 . 8 1 1 A 39 39 GLY CA C 39 46.879 47.201 -0.322 1
1 392 . 8 1 1 A 39 39 GLY N N 39 109.615 107.264 2.351 1
1 393 . 8 1 1 A 40 40 LEU H H 40 8.829 8.021 0.808 1
1 394 . 8 1 1 A 40 40 LEU HA H 40 4.504 4.059 0.445 1
1 404 . 8 1 1 A 40 40 LEU C C 40 177.788 179.071 -1.283 1
1 405 . 8 1 1 A 40 40 LEU CA C 40 57.770 57.804 -0.034 1
1 406 . 8 1 1 A 40 40 LEU CB C 40 41.713 42.092 -0.379 1
1 410 . 8 1 1 A 40 40 LEU N N 40 125.884 123.136 2.748 1
1 411 . 8 1 1 A 41 41 VAL H H 41 8.333 7.994 0.339 1
1 412 . 8 1 1 A 41 41 VAL HA H 41 3.328 3.923 -0.595 1
1 420 . 8 1 1 A 41 41 VAL C C 41 177.556 177.762 -0.206 1
1 421 . 8 1 1 A 41 41 VAL CA C 41 67.977 65.414 2.563 1
1 422 . 8 1 1 A 41 41 VAL CB C 41 31.080 31.420 -0.340 1
1 425 . 8 1 1 A 41 41 VAL N N 41 120.213 114.542 5.671 1
1 426 . 8 1 1 A 42 42 GLN H H 42 7.672 8.142 -0.470 1
1 427 . 8 1 1 A 42 42 GLN HA H 42 3.866 4.112 -0.246 1
1 432 . 8 1 1 A 42 42 GLN C C 42 177.980 177.923 0.057 1
1 433 . 8 1 1 A 42 42 GLN CA C 42 58.694 58.751 -0.057 1
1 434 . 8 1 1 A 42 42 GLN CB C 42 27.809 28.953 -1.144 1
1 436 . 8 1 1 A 42 42 GLN N N 42 116.386 121.641 -5.255 1
1 437 . 8 1 1 A 43 43 LEU H H 43 8.080 7.612 0.468 1
1 438 . 8 1 1 A 43 43 LEU HA H 43 4.225 4.208 0.017 1
1 448 . 8 1 1 A 43 43 LEU C C 43 179.999 178.388 1.611 1
1 449 . 8 1 1 A 43 43 LEU CA C 43 58.275 56.826 1.449 1
1 450 . 8 1 1 A 43 43 LEU CB C 43 43.046 41.901 1.145 1
1 454 . 8 1 1 A 43 43 LEU N N 43 122.204 120.605 1.599 1
1 455 . 8 1 1 A 44 44 LEU H H 44 8.810 8.069 0.741 1
1 456 . 8 1 1 A 44 44 LEU HA H 44 4.384 4.415 -0.031 1
1 466 . 8 1 1 A 44 44 LEU C C 44 179.311 178.403 0.908 1
1 467 . 8 1 1 A 44 44 LEU CA C 44 58.397 57.213 1.184 1
1 468 . 8 1 1 A 44 44 LEU CB C 44 41.553 42.933 -1.380 1
1 472 . 8 1 1 A 44 44 LEU N N 44 119.371 119.917 -0.546 1
1 473 . 8 1 1 A 45 45 LYS H H 45 8.652 8.365 0.287 1
1 474 . 8 1 1 A 45 45 LYS HA H 45 3.678 4.211 -0.533 1
1 483 . 8 1 1 A 45 45 LYS C C 45 177.005 179.024 -2.019 1
1 484 . 8 1 1 A 45 45 LYS CA C 45 60.016 58.973 1.043 1
1 485 . 8 1 1 A 45 45 LYS CB C 45 32.411 32.333 0.078 1
1 489 . 8 1 1 A 45 45 LYS N N 45 120.434 118.004 2.430 1
1 490 . 8 1 1 A 46 46 THR H H 46 8.180 8.296 -0.116 1
1 491 . 8 1 1 A 46 46 THR HA H 46 4.027 3.976 0.051 1
1 496 . 8 1 1 A 46 46 THR C C 46 176.217 176.598 -0.381 1
1 497 . 8 1 1 A 46 46 THR CA C 46 65.173 66.537 -1.364 1
1 498 . 8 1 1 A 46 46 THR CB C 46 69.680 68.923 0.757 1
1 500 . 8 1 1 A 46 46 THR N N 46 109.149 115.612 -6.463 1
1 501 . 8 1 1 A 47 47 ASN H H 47 8.170 7.839 0.331 1
1 502 . 8 1 1 A 47 47 ASN HA H 47 4.785 4.559 0.226 1
1 505 . 8 1 1 A 47 47 ASN C C 47 175.267 176.237 -0.970 1
1 506 . 8 1 1 A 47 47 ASN CA C 47 54.213 55.937 -1.724 1
1 507 . 8 1 1 A 47 47 ASN CB C 47 40.712 39.145 1.567 1
1 508 . 8 1 1 A 47 47 ASN N N 47 116.045 119.210 -3.165 1
1 509 . 8 1 1 A 48 48 TYR H H 48 8.094 8.069 0.025 1
1 510 . 8 1 1 A 48 48 TYR HA H 48 4.695 4.717 -0.022 1
1 513 . 8 1 1 A 48 48 TYR C C 48 175.011 175.737 -0.726 1
1 514 . 8 1 1 A 48 48 TYR CA C 48 60.273 59.546 0.727 1
1 515 . 8 1 1 A 48 48 TYR CB C 48 41.189 39.268 1.921 1
1 516 . 8 1 1 A 48 48 TYR N N 48 115.849 120.745 -4.896 1
1 517 . 8 1 1 A 49 49 VAL H H 49 7.769 7.736 0.033 1
1 518 . 8 1 1 A 49 49 VAL HA H 49 3.715 3.902 -0.187 1
1 526 . 8 1 1 A 49 49 VAL C C 49 176.157 176.757 -0.600 1
1 527 . 8 1 1 A 49 49 VAL CA C 49 63.454 62.961 0.493 1
1 528 . 8 1 1 A 49 49 VAL CB C 49 31.695 30.096 1.599 1
1 531 . 8 1 1 A 49 49 VAL N N 49 120.510 119.199 1.311 1
1 532 . 8 1 1 A 50 50 LYS H H 50 8.334 8.225 0.109 1
1 533 . 8 1 1 A 50 50 LYS HA H 50 4.242 3.908 0.334 1
1 542 . 8 1 1 A 50 50 LYS C C 50 176.562 176.365 0.197 1
1 543 . 8 1 1 A 50 50 LYS CA C 50 55.979 58.774 -2.795 1
1 544 . 8 1 1 A 50 50 LYS CB C 50 32.822 31.748 1.074 1
1 548 . 8 1 1 A 50 50 LYS N N 50 125.933 126.279 -0.346 1
1 549 . 8 1 1 A 51 51 GLU H H 51 7.598 7.913 -0.315 1
1 550 . 8 1 1 A 51 51 GLU HA H 51 4.328 4.484 -0.156 1
1 553 . 8 1 1 A 51 51 GLU C C 51 172.975 175.544 -2.569 1
1 554 . 8 1 1 A 51 51 GLU CA C 51 55.074 54.843 0.231 1
1 555 . 8 1 1 A 51 51 GLU CB C 51 32.633 31.702 0.931 1
1 557 . 8 1 1 A 51 51 GLU N N 51 117.804 120.406 -2.602 1
1 558 . 8 1 1 A 52 52 ARG H H 52 8.383 8.518 -0.135 1
1 559 . 8 1 1 A 52 52 ARG CA C 52 53.279 54.500 -1.221 1
1 560 . 8 1 1 A 52 52 ARG CB C 52 26.615 30.111 -3.496 1
1 561 . 8 1 1 A 52 52 ARG N N 52 111.793 122.248 -10.455 1
1 562 . 8 1 1 A 53 53 PRO HA H 53 4.029 4.394 -0.365 1
1 569 . 8 1 1 A 53 53 PRO C C 53 177.018 177.162 -0.144 1
1 570 . 8 1 1 A 53 53 PRO CA C 53 65.474 64.581 0.893 1
1 571 . 8 1 1 A 53 53 PRO CB C 53 30.916 32.062 -1.146 1
1 574 . 8 1 1 A 53 53 PRO N N 53 111.793 139.871 -28.078 1
1 575 . 8 1 1 A 54 54 ASP H H 54 8.462 8.299 0.163 1
1 576 . 8 1 1 A 54 54 ASP HA H 54 4.345 4.734 -0.389 1
1 579 . 8 1 1 A 54 54 ASP C C 54 176.493 177.163 -0.670 1
1 580 . 8 1 1 A 54 54 ASP CA C 54 54.982 54.029 0.953 1
1 581 . 8 1 1 A 54 54 ASP CB C 54 39.451 41.016 -1.565 1
1 582 . 8 1 1 A 54 54 ASP N N 54 113.848 117.492 -3.644 1
1 583 . 8 1 1 A 55 55 LEU H H 55 7.766 7.560 0.206 1
1 584 . 8 1 1 A 55 55 LEU HA H 55 4.235 4.132 0.103 1
1 594 . 8 1 1 A 55 55 LEU C C 55 175.873 178.099 -2.226 1
1 595 . 8 1 1 A 55 55 LEU CA C 55 55.305 56.716 -1.411 1
1 596 . 8 1 1 A 55 55 LEU CB C 55 41.271 41.605 -0.334 1
1 600 . 8 1 1 A 55 55 LEU N N 55 117.721 118.225 -0.504 1
1 601 . 8 1 1 A 56 56 LEU H H 56 7.630 7.655 -0.025 1
1 602 . 8 1 1 A 56 56 LEU HA H 56 4.552 4.463 0.089 1
1 612 . 8 1 1 A 56 56 LEU C C 56 175.341 177.117 -1.776 1
1 613 . 8 1 1 A 56 56 LEU CA C 56 55.516 55.765 -0.249 1
1 614 . 8 1 1 A 56 56 LEU CB C 56 44.910 42.989 1.921 1
1 618 . 8 1 1 A 56 56 LEU N N 56 118.796 116.213 2.583 1
1 619 . 8 1 1 A 57 57 VAL H H 57 7.206 7.355 -0.149 1
1 620 . 8 1 1 A 57 57 VAL HA H 57 5.048 4.044 1.004 1
1 628 . 8 1 1 A 57 57 VAL C C 57 175.020 175.915 -0.895 1
1 629 . 8 1 1 A 57 57 VAL CA C 57 58.550 62.082 -3.532 1
1 630 . 8 1 1 A 57 57 VAL CB C 57 35.049 32.701 2.348 1
1 633 . 8 1 1 A 57 57 VAL N N 57 106.872 120.168 -13.296 1
1 634 . 8 1 1 A 58 58 ASP H H 58 8.447 9.418 -0.971 1
1 635 . 8 1 1 A 58 58 ASP HA H 58 4.459 4.308 0.151 1
1 638 . 8 1 1 A 58 58 ASP C C 58 177.406 177.012 0.394 1
1 639 . 8 1 1 A 58 58 ASP CA C 58 53.130 56.761 -3.631 1
1 640 . 8 1 1 A 58 58 ASP CB C 58 40.985 41.436 -0.451 1
1 641 . 8 1 1 A 58 58 ASP N N 58 118.741 123.821 -5.080 1
1 642 . 8 1 1 A 59 59 GLN H H 59 8.883 7.873 1.010 1
1 643 . 8 1 1 A 59 59 GLN HA H 59 4.031 4.614 -0.583 1
1 648 . 8 1 1 A 59 59 GLN C C 59 177.499 176.464 1.035 1
1 649 . 8 1 1 A 59 59 GLN CA C 59 59.120 57.322 1.798 1
1 650 . 8 1 1 A 59 59 GLN CB C 59 28.389 30.870 -2.481 1
1 652 . 8 1 1 A 59 59 GLN N N 59 119.603 117.044 2.559 1
1 653 . 8 1 1 A 60 60 THR H H 60 8.060 8.084 -0.024 1
1 654 . 8 1 1 A 60 60 THR HA H 60 4.296 4.392 -0.096 1
1 659 . 8 1 1 A 60 60 THR C C 60 176.363 175.248 1.115 1
1 660 . 8 1 1 A 60 60 THR CA C 60 63.358 62.492 0.866 1
1 661 . 8 1 1 A 60 60 THR CB C 60 70.577 69.676 0.901 1
1 663 . 8 1 1 A 60 60 THR N N 60 109.323 110.043 -0.720 1
1 664 . 8 1 1 A 61 61 GLY H H 61 8.001 8.018 -0.017 1
1 665 . 8 1 1 A 61 61 GLY HA2 H 61 4.173 3.901 0.272 1
1 666 . 8 1 1 A 61 61 GLY HA3 H 61 3.610 3.902 -0.292 1
1 667 . 8 1 1 A 61 61 GLY C C 61 174.049 174.067 -0.018 1
1 668 . 8 1 1 A 61 61 GLY CA C 61 45.301 46.394 -1.093 1
1 669 . 8 1 1 A 61 61 GLY N N 61 109.323 110.789 -1.466 1
1 670 . 8 1 1 A 62 62 GLN H H 62 8.091 8.072 0.019 1
1 671 . 8 1 1 A 62 62 GLN HA H 62 4.172 4.661 -0.489 1
1 674 . 8 1 1 A 62 62 GLN C C 62 175.201 175.000 0.201 1
1 675 . 8 1 1 A 62 62 GLN CA C 62 56.474 56.971 -0.497 1
1 676 . 8 1 1 A 62 62 GLN CB C 62 30.618 31.722 -1.104 1
1 678 . 8 1 1 A 62 62 GLN N N 62 117.247 119.072 -1.825 1
1 679 . 8 1 1 A 63 63 THR H H 63 7.740 7.962 -0.222 1
1 680 . 8 1 1 A 63 63 THR HA H 63 4.624 4.842 -0.218 1
1 685 . 8 1 1 A 63 63 THR C C 63 172.622 173.953 -1.331 1
1 686 . 8 1 1 A 63 63 THR CA C 63 59.718 59.943 -0.225 1
1 687 . 8 1 1 A 63 63 THR CB C 63 70.832 71.198 -0.366 1
1 689 . 8 1 1 A 63 63 THR N N 63 113.860 113.100 0.760 1
1 690 . 8 1 1 A 64 64 LEU H H 64 8.364 8.738 -0.374 1
1 691 . 8 1 1 A 64 64 LEU HA H 64 4.324 4.248 0.076 1
1 701 . 8 1 1 A 64 64 LEU C C 64 176.311 177.646 -1.335 1
1 702 . 8 1 1 A 64 64 LEU CA C 64 55.025 55.526 -0.501 1
1 703 . 8 1 1 A 64 64 LEU CB C 64 43.871 42.283 1.588 1
1 707 . 8 1 1 A 64 64 LEU N N 64 123.689 126.850 -3.161 1
1 708 . 8 1 1 A 65 65 ARG H H 65 8.192 9.143 -0.951 1
1 709 . 8 1 1 A 65 65 ARG C C 65 173.609 175.261 -1.652 1
1 710 . 8 1 1 A 65 65 ARG CA C 65 55.287 54.721 0.566 1
1 711 . 8 1 1 A 65 65 ARG CB C 65 29.681 30.549 -0.868 1
1 712 . 8 1 1 A 65 65 ARG N N 65 126.639 121.724 4.915 1
1 713 . 8 1 1 A 66 66 PRO HA H 66 4.390 4.274 0.116 1
1 720 . 8 1 1 A 66 66 PRO C C 66 177.030 177.371 -0.341 1
1 721 . 8 1 1 A 66 66 PRO CA C 66 63.719 63.642 0.077 1
1 722 . 8 1 1 A 66 66 PRO CB C 66 31.825 31.377 0.448 1
1 725 . 8 1 1 A 66 66 PRO N N 66 126.639 137.232 -10.593 1
1 726 . 8 1 1 A 67 67 GLY H H 67 8.744 8.882 -0.138 1
1 727 . 8 1 1 A 67 67 GLY HA2 H 67 4.232 3.946 0.286 1
1 728 . 8 1 1 A 67 67 GLY HA3 H 67 3.544 3.968 -0.424 1
1 729 . 8 1 1 A 67 67 GLY C C 67 174.319 174.819 -0.500 1
1 730 . 8 1 1 A 67 67 GLY CA C 67 44.818 45.409 -0.591 1
1 731 . 8 1 1 A 68 68 ILE H H 68 7.522 7.953 -0.431 1
1 732 . 8 1 1 A 68 68 ILE HA H 68 4.690 4.484 0.206 1
1 742 . 8 1 1 A 68 68 ILE C C 68 174.703 175.323 -0.620 1
1 743 . 8 1 1 A 68 68 ILE CA C 68 61.047 60.784 0.263 1
1 744 . 8 1 1 A 68 68 ILE CB C 68 38.090 38.590 -0.500 1
1 748 . 8 1 1 A 68 68 ILE N N 68 121.049 121.256 -0.207 1
1 749 . 8 1 1 A 69 69 LEU H H 69 9.207 9.437 -0.230 1
1 750 . 8 1 1 A 69 69 LEU HA H 69 4.449 4.870 -0.421 1
1 760 . 8 1 1 A 69 69 LEU C C 69 174.991 175.701 -0.710 1
1 761 . 8 1 1 A 69 69 LEU CA C 69 54.106 53.906 0.200 1
1 762 . 8 1 1 A 69 69 LEU CB C 69 43.588 42.492 1.096 1
1 766 . 8 1 1 A 69 69 LEU N N 69 131.197 127.512 3.685 1
1 767 . 8 1 1 A 70 70 VAL H H 70 8.149 8.514 -0.365 1
1 768 . 8 1 1 A 70 70 VAL HA H 70 4.955 4.587 0.368 1
1 776 . 8 1 1 A 70 70 VAL C C 70 175.167 175.325 -0.158 1
1 777 . 8 1 1 A 70 70 VAL CA C 70 59.928 61.489 -1.561 1
1 778 . 8 1 1 A 70 70 VAL CB C 70 33.239 32.680 0.559 1
1 781 . 8 1 1 A 70 70 VAL N N 70 121.953 123.598 -1.645 1
1 782 . 8 1 1 A 71 71 LEU H H 71 8.881 8.147 0.734 1
1 783 . 8 1 1 A 71 71 LEU HA H 71 4.922 5.245 -0.323 1
1 793 . 8 1 1 A 71 71 LEU C C 71 176.487 175.131 1.356 1
1 794 . 8 1 1 A 71 71 LEU CA C 71 52.627 53.125 -0.498 1
1 795 . 8 1 1 A 71 71 LEU CB C 71 44.487 44.923 -0.436 1
1 799 . 8 1 1 A 71 71 LEU N N 71 126.071 126.293 -0.222 1
1 800 . 8 1 1 A 72 72 VAL H H 72 9.048 8.755 0.293 1
1 801 . 8 1 1 A 72 72 VAL HA H 72 4.351 4.817 -0.466 1
1 809 . 8 1 1 A 72 72 VAL C C 72 176.078 175.667 0.411 1
1 810 . 8 1 1 A 72 72 VAL CA C 72 60.886 60.992 -0.106 1
1 811 . 8 1 1 A 72 72 VAL CB C 72 33.141 32.656 0.485 1
1 814 . 8 1 1 A 72 72 VAL N N 72 120.969 124.858 -3.889 1
1 815 . 8 1 1 A 73 73 ASN H H 73 9.630 9.703 -0.073 1
1 816 . 8 1 1 A 73 73 ASN HA H 73 4.335 4.362 -0.027 1
1 821 . 8 1 1 A 73 73 ASN C C 73 175.496 174.437 1.059 1
1 822 . 8 1 1 A 73 73 ASN CA C 73 54.736 54.628 0.108 1
1 823 . 8 1 1 A 73 73 ASN CB C 73 36.825 36.863 -0.038 1
1 824 . 8 1 1 A 73 73 ASN N N 73 129.082 127.564 1.518 1
1 825 . 8 1 1 A 74 74 SER H H 74 9.308 8.465 0.843 1
1 826 . 8 1 1 A 74 74 SER C C 74 172.584 172.705 -0.121 1
1 827 . 8 1 1 A 74 74 SER N N 74 106.084 105.392 0.692 1
1 828 . 8 1 1 A 75 75 CYS H H 75 7.845 7.639 0.206 1
1 829 . 8 1 1 A 75 75 CYS C C 75 176.045 172.796 3.249 1
1 830 . 8 1 1 A 75 75 CYS CA C 75 57.152 58.133 -0.981 1
1 831 . 8 1 1 A 75 75 CYS CB C 75 29.101 31.313 -2.212 1
1 832 . 8 1 1 A 75 75 CYS N N 75 120.460 117.554 2.906 1
1 833 . 8 1 1 A 76 76 ASP H H 76 8.766 8.539 0.227 1
1 834 . 8 1 1 A 76 76 ASP HA H 76 4.295 4.523 -0.228 1
1 837 . 8 1 1 A 76 76 ASP C C 76 177.713 177.722 -0.009 1
1 838 . 8 1 1 A 76 76 ASP CA C 76 55.721 54.939 0.782 1
1 839 . 8 1 1 A 76 76 ASP CB C 76 41.513 40.739 0.774 1
1 840 . 8 1 1 A 76 76 ASP N N 76 126.661 124.246 2.415 1
1 841 . 8 1 1 A 77 77 ALA H H 77 8.555 8.859 -0.304 1
1 842 . 8 1 1 A 77 77 ALA HA H 77 3.688 3.849 -0.161 1
1 846 . 8 1 1 A 77 77 ALA C C 77 180.149 179.230 0.919 1
1 847 . 8 1 1 A 77 77 ALA CA C 77 54.334 54.624 -0.290 1
1 848 . 8 1 1 A 77 77 ALA CB C 77 18.453 18.372 0.081 1
1 849 . 8 1 1 A 77 77 ALA N N 77 128.302 126.424 1.878 1
1 850 . 8 1 1 A 78 78 GLU H H 78 9.034 7.714 1.320 1
1 851 . 8 1 1 A 78 78 GLU HA H 78 3.763 4.141 -0.378 1
1 856 . 8 1 1 A 78 78 GLU C C 78 179.359 179.163 0.196 1
1 857 . 8 1 1 A 78 78 GLU CA C 78 59.569 58.976 0.593 1
1 858 . 8 1 1 A 78 78 GLU CB C 78 29.511 28.970 0.541 1
1 860 . 8 1 1 A 78 78 GLU N N 78 117.499 118.375 -0.876 1
1 861 . 8 1 1 A 79 79 VAL H H 79 7.753 7.563 0.190 1
1 862 . 8 1 1 A 79 79 VAL HA H 79 3.927 3.605 0.322 1
1 870 . 8 1 1 A 79 79 VAL C C 79 177.408 178.178 -0.770 1
1 871 . 8 1 1 A 79 79 VAL CA C 79 64.439 66.328 -1.889 1
1 872 . 8 1 1 A 79 79 VAL CB C 79 31.904 31.544 0.360 1
1 875 . 8 1 1 A 79 79 VAL N N 79 115.536 121.341 -5.805 1
1 876 . 8 1 1 A 80 80 VAL H H 80 7.123 7.198 -0.075 1
1 877 . 8 1 1 A 80 80 VAL HA H 80 4.443 4.026 0.417 1
1 885 . 8 1 1 A 80 80 VAL C C 80 175.020 176.261 -1.241 1
1 886 . 8 1 1 A 80 80 VAL CA C 80 60.286 64.190 -3.904 1
1 887 . 8 1 1 A 80 80 VAL CB C 80 30.948 32.340 -1.392 1
1 890 . 8 1 1 A 80 80 VAL N N 80 109.738 115.536 -5.798 1
1 891 . 8 1 1 A 81 81 GLY H H 81 7.210 7.184 0.026 1
1 892 . 8 1 1 A 81 81 GLY HA2 H 81 4.511 4.057 0.454 1
1 893 . 8 1 1 A 81 81 GLY HA3 H 81 3.664 4.097 -0.433 1
1 894 . 8 1 1 A 81 81 GLY C C 81 175.262 175.000 0.262 1
1 895 . 8 1 1 A 81 81 GLY CA C 81 44.964 45.175 -0.211 1
1 896 . 8 1 1 A 81 81 GLY N N 81 106.697 110.496 -3.799 1
1 897 . 8 1 1 A 82 82 GLY H H 82 8.673 8.569 0.104 1
1 898 . 8 1 1 A 82 82 GLY HA2 H 82 4.022 3.814 0.208 1
1 899 . 8 1 1 A 82 82 GLY HA3 H 82 3.150 3.829 -0.679 1
1 900 . 8 1 1 A 82 82 GLY C C 82 174.547 174.723 -0.176 1
1 901 . 8 1 1 A 82 82 GLY CA C 82 45.151 47.329 -2.178 1
1 902 . 8 1 1 A 82 82 GLY N N 82 111.931 108.471 3.460 1
1 903 . 8 1 1 A 83 83 MET H H 83 8.841 8.638 0.203 1
1 904 . 8 1 1 A 83 83 MET HA H 83 4.582 4.704 -0.122 1
1 909 . 8 1 1 A 83 83 MET C C 83 176.001 175.677 0.324 1
1 910 . 8 1 1 A 83 83 MET CA C 83 55.737 54.335 1.402 1
1 911 . 8 1 1 A 83 83 MET CB C 83 30.273 32.342 -2.069 1
1 913 . 8 1 1 A 83 83 MET N N 83 119.840 124.083 -4.243 1
1 914 . 8 1 1 A 84 84 ASP H H 84 7.395 8.751 -1.356 1
1 915 . 8 1 1 A 84 84 ASP HA H 84 4.695 4.881 -0.186 1
1 918 . 8 1 1 A 84 84 ASP C C 84 176.694 175.471 1.223 1
1 919 . 8 1 1 A 84 84 ASP CA C 84 54.300 53.312 0.988 1
1 920 . 8 1 1 A 84 84 ASP CB C 84 41.551 41.177 0.374 1
1 921 . 8 1 1 A 84 84 ASP N N 84 114.478 120.156 -5.678 1
1 922 . 8 1 1 A 85 85 TYR H H 85 7.930 7.876 0.054 1
1 923 . 8 1 1 A 85 85 TYR HA H 85 4.148 4.721 -0.573 1
1 926 . 8 1 1 A 85 85 TYR C C 85 173.845 175.210 -1.365 1
1 927 . 8 1 1 A 85 85 TYR CA C 85 59.520 57.453 2.067 1
1 928 . 8 1 1 A 85 85 TYR CB C 85 38.105 39.045 -0.940 1
1 929 . 8 1 1 A 85 85 TYR N N 85 123.769 122.358 1.411 1
1 930 . 8 1 1 A 86 86 VAL H H 86 7.755 8.211 -0.456 1
1 931 . 8 1 1 A 86 86 VAL HA H 86 3.402 4.209 -0.807 1
1 939 . 8 1 1 A 86 86 VAL C C 86 173.896 175.118 -1.222 1
1 940 . 8 1 1 A 86 86 VAL CA C 86 62.779 61.088 1.691 1
1 941 . 8 1 1 A 86 86 VAL CB C 86 31.843 32.752 -0.909 1
1 944 . 8 1 1 A 86 86 VAL N N 86 130.130 123.947 6.183 1
1 945 . 8 1 1 A 87 87 LEU H H 87 7.069 8.357 -1.288 1
1 946 . 8 1 1 A 87 87 LEU HA H 87 3.833 4.825 -0.992 1
1 956 . 8 1 1 A 87 87 LEU C C 87 176.432 175.890 0.542 1
1 957 . 8 1 1 A 87 87 LEU CA C 87 55.977 53.776 2.201 1
1 958 . 8 1 1 A 87 87 LEU CB C 87 42.126 43.849 -1.723 1
1 962 . 8 1 1 A 87 87 LEU N N 87 121.577 124.234 -2.657 1
1 963 . 8 1 1 A 88 88 ASN H H 88 8.705 8.775 -0.070 1
1 964 . 8 1 1 A 88 88 ASN HA H 88 4.717 4.950 -0.233 1
1 967 . 8 1 1 A 88 88 ASN C C 88 173.156 174.445 -1.289 1
1 968 . 8 1 1 A 88 88 ASN CA C 88 51.471 52.007 -0.536 1
1 969 . 8 1 1 A 88 88 ASN CB C 88 41.622 39.283 2.339 1
1 970 . 8 1 1 A 88 88 ASN N N 88 120.561 122.605 -2.044 1
1 971 . 8 1 1 A 89 89 ASP H H 89 8.482 8.231 0.251 1
1 972 . 8 1 1 A 89 89 ASP HA H 89 3.937 4.431 -0.494 1
1 975 . 8 1 1 A 89 89 ASP C C 89 178.751 176.144 2.607 1
1 976 . 8 1 1 A 89 89 ASP CA C 89 56.268 55.211 1.057 1
1 977 . 8 1 1 A 89 89 ASP CB C 89 40.380 39.562 0.818 1
1 978 . 8 1 1 A 89 89 ASP N N 89 122.084 116.698 5.386 1
1 979 . 8 1 1 A 90 90 GLY H H 90 9.334 8.322 1.012 1
1 980 . 8 1 1 A 90 90 GLY HA2 H 90 4.314 3.809 0.505 1
1 981 . 8 1 1 A 90 90 GLY HA3 H 90 3.619 3.947 -0.328 1
1 982 . 8 1 1 A 90 90 GLY C C 90 174.907 174.211 0.696 1
1 983 . 8 1 1 A 90 90 GLY CA C 90 45.076 44.968 0.108 1
1 984 . 8 1 1 A 90 90 GLY N N 90 117.218 109.286 7.932 1
1 985 . 8 1 1 A 91 91 ASP H H 91 7.987 8.088 -0.101 1
1 986 . 8 1 1 A 91 91 ASP HA H 91 4.745 4.786 -0.041 1
1 989 . 8 1 1 A 91 91 ASP C C 91 175.436 175.693 -0.257 1
1 990 . 8 1 1 A 91 91 ASP CA C 91 55.954 53.854 2.100 1
1 991 . 8 1 1 A 91 91 ASP CB C 91 41.876 42.384 -0.508 1
1 992 . 8 1 1 A 91 91 ASP N N 91 122.336 121.284 1.052 1
1 993 . 8 1 1 A 92 92 THR H H 92 8.227 8.677 -0.450 1
1 994 . 8 1 1 A 92 92 THR HA H 92 5.093 5.207 -0.114 1
1 999 . 8 1 1 A 92 92 THR C C 92 173.702 172.730 0.972 1
1 1000 . 8 1 1 A 92 92 THR CA C 92 61.477 61.619 -0.142 1
1 1001 . 8 1 1 A 92 92 THR CB C 92 70.032 71.080 -1.048 1
1 1003 . 8 1 1 A 92 92 THR N N 92 115.456 117.491 -2.035 1
1 1004 . 8 1 1 A 93 93 VAL H H 93 9.039 9.197 -0.158 1
1 1005 . 8 1 1 A 93 93 VAL HA H 93 4.731 5.064 -0.333 1
1 1013 . 8 1 1 A 93 93 VAL C C 93 173.391 173.252 0.139 1
1 1014 . 8 1 1 A 93 93 VAL CA C 93 59.984 59.452 0.532 1
1 1015 . 8 1 1 A 93 93 VAL CB C 93 33.978 34.880 -0.902 1
1 1018 . 8 1 1 A 93 93 VAL N N 93 129.109 126.429 2.680 1
1 1019 . 8 1 1 A 94 94 GLU H H 94 9.012 8.156 0.856 1
1 1020 . 8 1 1 A 94 94 GLU HA H 94 4.941 4.609 0.332 1
1 1025 . 8 1 1 A 94 94 GLU C C 94 173.669 174.930 -1.261 1
1 1026 . 8 1 1 A 94 94 GLU CA C 94 53.577 54.194 -0.617 1
1 1027 . 8 1 1 A 94 94 GLU CB C 94 32.853 33.916 -1.063 1
1 1029 . 8 1 1 A 94 94 GLU N N 94 126.881 127.182 -0.301 1
1 1030 . 8 1 1 A 95 95 PHE H H 95 9.012 8.127 0.885 1
1 1031 . 8 1 1 A 95 95 PHE HA H 95 4.941 5.073 -0.132 1
1 1034 . 8 1 1 A 95 95 PHE C C 95 174.687 174.526 0.161 1
1 1035 . 8 1 1 A 95 95 PHE CA C 95 56.843 56.461 0.382 1
1 1036 . 8 1 1 A 95 95 PHE CB C 95 40.889 40.659 0.230 1
1 1037 . 8 1 1 A 95 95 PHE N N 95 122.718 119.300 3.418 1
1 1038 . 8 1 1 A 96 96 ILE H H 96 9.292 9.177 0.115 1
1 1039 . 8 1 1 A 96 96 ILE HA H 96 4.573 5.097 -0.524 1
1 1049 . 8 1 1 A 96 96 ILE C C 96 175.897 174.380 1.517 1
1 1050 . 8 1 1 A 96 96 ILE CA C 96 59.748 60.395 -0.647 1
1 1051 . 8 1 1 A 96 96 ILE CB C 96 40.938 39.599 1.339 1
1 1055 . 8 1 1 A 96 96 ILE N N 96 123.112 124.659 -1.547 1
1 1056 . 8 1 1 A 97 97 SER H H 97 8.245 8.949 -0.704 1
1 1057 . 8 1 1 A 97 97 SER HA H 97 4.800 5.059 -0.259 1
1 1060 . 8 1 1 A 97 97 SER C C 97 175.130 174.004 1.126 1
1 1061 . 8 1 1 A 97 97 SER CA C 97 58.154 57.512 0.642 1
1 1062 . 8 1 1 A 97 97 SER CB C 97 63.137 63.810 -0.673 1
1 1063 . 8 1 1 A 97 97 SER N N 97 121.343 122.680 -1.337 1
1 1064 . 8 1 1 A 98 98 THR H H 98 8.181 9.208 -1.027 1
1 1065 . 8 1 1 A 98 98 THR HA H 98 4.549 4.558 -0.009 1
1 1070 . 8 1 1 A 98 98 THR C C 98 174.729 174.540 0.189 1
1 1071 . 8 1 1 A 98 98 THR CA C 98 61.603 62.318 -0.715 1
1 1072 . 8 1 1 A 98 98 THR CB C 98 69.890 70.056 -0.166 1
1 1074 . 8 1 1 A 98 98 THR N N 98 116.451 117.681 -1.230 1
1 1075 . 8 1 1 A 99 99 LEU H H 99 8.033 7.335 0.698 1
1 1076 . 8 1 1 A 99 99 LEU HA H 99 4.234 4.281 -0.047 1
1 1086 . 8 1 1 A 99 99 LEU C C 99 177.349 175.774 1.575 1
1 1087 . 8 1 1 A 99 99 LEU CA C 99 55.517 56.088 -0.571 1
1 1088 . 8 1 1 A 99 99 LEU CB C 99 41.996 42.466 -0.470 1
1 1092 . 8 1 1 A 99 99 LEU N N 99 122.869 122.933 -0.064 1
1 1093 . 8 1 1 A 100 100 HIS H H 100 8.558 8.825 -0.267 1
1 1094 . 8 1 1 A 100 100 HIS HA H 100 4.460 4.739 -0.279 1
1 1097 . 8 1 1 A 100 100 HIS C C 100 175.718 176.578 -0.860 1
1 1098 . 8 1 1 A 100 100 HIS CA C 100 56.096 57.055 -0.959 1
1 1099 . 8 1 1 A 100 100 HIS CB C 100 29.709 31.520 -1.811 1
1 1100 . 8 1 1 A 100 100 HIS N N 100 120.437 123.592 -3.155 1
1 1101 . 8 1 1 A 101 101 GLY H H 101 8.477 8.217 0.260 1
1 1102 . 8 1 1 A 101 101 GLY HA2 H 101 3.888 3.712 0.176 1
1 1103 . 8 1 1 A 101 101 GLY HA3 H 101 3.888 3.745 0.143 1
1 1104 . 8 1 1 A 101 101 GLY C C 101 174.614 174.949 -0.335 1
1 1105 . 8 1 1 A 101 101 GLY CA C 101 45.529 46.531 -1.002 1
1 1106 . 8 1 1 A 101 101 GLY N N 101 110.340 105.824 4.516 1
1 7 . 9 1 1 A 2 2 SER H H 2 8.206 7.769 0.437 1
1 8 . 9 1 1 A 2 2 SER N N 2 126.498 112.790 13.708 1
1 9 . 9 1 1 A 3 3 ASN HA H 3 5.166 4.935 0.231 1
1 12 . 9 1 1 A 3 3 ASN C C 3 175.527 174.782 0.745 1
1 13 . 9 1 1 A 3 3 ASN CA C 3 51.466 52.079 -0.613 1
1 14 . 9 1 1 A 3 3 ASN CB C 3 39.931 40.117 -0.186 1
1 15 . 9 1 1 A 4 4 HIS H H 4 8.859 8.937 -0.078 1
1 16 . 9 1 1 A 4 4 HIS HA H 4 4.165 4.504 -0.339 1
1 19 . 9 1 1 A 4 4 HIS C C 4 175.897 173.381 2.516 1
1 20 . 9 1 1 A 4 4 HIS CA C 4 56.644 56.139 0.505 1
1 21 . 9 1 1 A 4 4 HIS CB C 4 30.122 29.732 0.390 1
1 22 . 9 1 1 A 4 4 HIS N N 4 120.656 125.556 -4.900 1
1 23 . 9 1 1 A 5 5 ASN H H 5 8.263 9.263 -1.000 1
1 24 . 9 1 1 A 5 5 ASN HA H 5 4.274 5.587 -1.313 1
1 27 . 9 1 1 A 5 5 ASN C C 5 177.939 174.365 3.574 1
1 28 . 9 1 1 A 5 5 ASN CA C 5 57.261 52.357 4.904 1
1 29 . 9 1 1 A 5 5 ASN CB C 5 38.232 42.530 -4.298 1
1 30 . 9 1 1 A 5 5 ASN N N 5 121.699 117.463 4.236 1
1 31 . 9 1 1 A 6 6 HIS H H 6 9.675 8.947 0.728 1
1 32 . 9 1 1 A 6 6 HIS HA H 6 5.261 5.524 -0.263 1
1 35 . 9 1 1 A 6 6 HIS C C 6 171.876 172.361 -0.485 1
1 36 . 9 1 1 A 6 6 HIS CA C 6 56.016 54.678 1.338 1
1 37 . 9 1 1 A 6 6 HIS CB C 6 31.324 31.688 -0.364 1
1 38 . 9 1 1 A 6 6 HIS N N 6 117.245 116.416 0.829 1
1 39 . 9 1 1 A 7 7 ILE H H 7 7.753 8.329 -0.576 1
1 40 . 9 1 1 A 7 7 ILE HA H 7 4.442 4.625 -0.183 1
1 50 . 9 1 1 A 7 7 ILE C C 7 174.518 174.989 -0.471 1
1 51 . 9 1 1 A 7 7 ILE CA C 7 57.922 59.869 -1.947 1
1 52 . 9 1 1 A 7 7 ILE CB C 7 39.790 42.246 -2.456 1
1 56 . 9 1 1 A 7 7 ILE N N 7 126.114 119.433 6.681 1
1 57 . 9 1 1 A 8 8 THR H H 8 8.238 9.232 -0.994 1
1 58 . 9 1 1 A 8 8 THR HA H 8 4.733 4.688 0.045 1
1 63 . 9 1 1 A 8 8 THR C C 8 172.672 172.907 -0.235 1
1 64 . 9 1 1 A 8 8 THR CA C 8 62.203 62.189 0.014 1
1 65 . 9 1 1 A 8 8 THR CB C 8 70.202 68.765 1.437 1
1 67 . 9 1 1 A 8 8 THR N N 8 123.879 123.347 0.532 1
1 68 . 9 1 1 A 9 9 VAL H H 9 8.717 8.644 0.073 1
1 69 . 9 1 1 A 9 9 VAL HA H 9 5.165 4.970 0.195 1
1 77 . 9 1 1 A 9 9 VAL C C 9 173.545 174.420 -0.875 1
1 78 . 9 1 1 A 9 9 VAL CA C 9 59.279 59.722 -0.443 1
1 79 . 9 1 1 A 9 9 VAL CB C 9 33.495 34.539 -1.044 1
1 82 . 9 1 1 A 9 9 VAL N N 9 124.808 126.479 -1.671 1
1 83 . 9 1 1 A 10 10 GLN H H 10 8.863 8.436 0.427 1
1 84 . 9 1 1 A 10 10 GLN HA H 10 4.841 4.979 -0.138 1
1 87 . 9 1 1 A 10 10 GLN C C 10 173.774 173.685 0.089 1
1 88 . 9 1 1 A 10 10 GLN CA C 10 53.092 53.485 -0.393 1
1 89 . 9 1 1 A 10 10 GLN CB C 10 32.226 33.238 -1.012 1
1 91 . 9 1 1 A 10 10 GLN N N 10 123.709 125.411 -1.702 1
1 92 . 9 1 1 A 11 11 PHE H H 11 8.252 8.646 -0.394 1
1 93 . 9 1 1 A 11 11 PHE HA H 11 5.661 5.358 0.303 1
1 96 . 9 1 1 A 11 11 PHE C C 11 175.180 174.823 0.357 1
1 97 . 9 1 1 A 11 11 PHE CA C 11 55.799 56.697 -0.898 1
1 98 . 9 1 1 A 11 11 PHE CB C 11 43.197 43.397 -0.200 1
1 99 . 9 1 1 A 11 11 PHE N N 11 119.002 116.538 2.464 1
1 100 . 9 1 1 A 12 12 ALA H H 12 8.989 8.318 0.671 1
1 101 . 9 1 1 A 12 12 ALA HA H 12 4.971 4.978 -0.007 1
1 105 . 9 1 1 A 12 12 ALA C C 12 179.413 177.022 2.391 1
1 106 . 9 1 1 A 12 12 ALA CA C 12 51.675 51.945 -0.270 1
1 107 . 9 1 1 A 12 12 ALA CB C 12 23.716 22.092 1.624 1
1 108 . 9 1 1 A 12 12 ALA N N 12 123.388 122.555 0.833 1
1 109 . 9 1 1 A 13 13 GLY H H 13 9.188 8.798 0.390 1
1 110 . 9 1 1 A 13 13 GLY HA2 H 13 4.477 3.949 0.528 1
1 111 . 9 1 1 A 13 13 GLY HA3 H 13 3.937 3.965 -0.028 1
1 112 . 9 1 1 A 13 13 GLY C C 13 173.600 175.547 -1.947 1
1 113 . 9 1 1 A 13 13 GLY CA C 13 46.252 46.012 0.240 1
1 114 . 9 1 1 A 13 13 GLY N N 13 110.134 111.298 -1.164 1
1 115 . 9 1 1 A 14 14 GLY H H 14 9.510 8.397 1.113 1
1 116 . 9 1 1 A 14 14 GLY HA2 H 14 4.600 3.895 0.705 1
1 117 . 9 1 1 A 14 14 GLY HA3 H 14 3.453 3.913 -0.460 1
1 118 . 9 1 1 A 14 14 GLY C C 14 177.136 174.510 2.626 1
1 119 . 9 1 1 A 14 14 GLY CA C 14 44.792 46.041 -1.249 1
1 120 . 9 1 1 A 14 14 GLY N N 14 109.966 105.938 4.028 1
1 121 . 9 1 1 A 15 15 CYS H H 15 7.748 8.240 -0.492 1
1 122 . 9 1 1 A 15 15 CYS HA H 15 3.883 4.685 -0.802 1
1 125 . 9 1 1 A 15 15 CYS C C 15 175.011 176.368 -1.357 1
1 126 . 9 1 1 A 15 15 CYS CA C 15 62.034 59.437 2.597 1
1 127 . 9 1 1 A 15 15 CYS N N 15 121.082 120.670 0.412 1
1 128 . 9 1 1 A 16 16 GLU H H 16 7.837 8.638 -0.801 1
1 129 . 9 1 1 A 16 16 GLU HA H 16 4.009 3.845 0.164 1
1 134 . 9 1 1 A 16 16 GLU C C 16 178.419 177.323 1.096 1
1 135 . 9 1 1 A 16 16 GLU CA C 16 58.599 58.419 0.180 1
1 136 . 9 1 1 A 16 16 GLU CB C 16 27.745 28.026 -0.281 1
1 138 . 9 1 1 A 16 16 GLU N N 16 120.416 118.518 1.898 1
1 139 . 9 1 1 A 17 17 LEU H H 17 7.626 7.745 -0.119 1
1 140 . 9 1 1 A 17 17 LEU HA H 17 3.927 4.161 -0.234 1
1 150 . 9 1 1 A 17 17 LEU C C 17 178.349 177.257 1.092 1
1 151 . 9 1 1 A 17 17 LEU CA C 17 57.105 56.316 0.789 1
1 152 . 9 1 1 A 17 17 LEU CB C 17 40.474 41.433 -0.959 1
1 156 . 9 1 1 A 17 17 LEU N N 17 122.648 120.226 2.422 1
1 157 . 9 1 1 A 18 18 LEU H H 18 7.488 7.182 0.306 1
1 158 . 9 1 1 A 18 18 LEU HA H 18 4.143 4.228 -0.085 1
1 168 . 9 1 1 A 18 18 LEU C C 18 175.859 176.475 -0.616 1
1 169 . 9 1 1 A 18 18 LEU CA C 18 55.729 54.784 0.945 1
1 170 . 9 1 1 A 18 18 LEU CB C 18 40.532 41.435 -0.903 1
1 174 . 9 1 1 A 18 18 LEU N N 18 117.565 118.067 -0.502 1
1 175 . 9 1 1 A 19 19 PHE H H 19 7.164 7.444 -0.280 1
1 176 . 9 1 1 A 19 19 PHE HA H 19 4.395 4.853 -0.458 1
1 179 . 9 1 1 A 19 19 PHE C C 19 176.362 175.417 0.945 1
1 180 . 9 1 1 A 19 19 PHE CA C 19 56.373 58.898 -2.525 1
1 181 . 9 1 1 A 19 19 PHE CB C 19 39.143 41.003 -1.860 1
1 182 . 9 1 1 A 19 19 PHE N N 19 117.899 120.162 -2.263 1
1 183 . 9 1 1 A 20 20 ALA H H 20 8.780 7.432 1.348 1
1 184 . 9 1 1 A 20 20 ALA HA H 20 4.087 4.545 -0.458 1
1 188 . 9 1 1 A 20 20 ALA C C 20 176.512 177.456 -0.944 1
1 189 . 9 1 1 A 20 20 ALA CA C 20 53.279 51.480 1.799 1
1 190 . 9 1 1 A 20 20 ALA CB C 20 17.047 19.390 -2.343 1
1 191 . 9 1 1 A 20 20 ALA N N 20 123.417 119.801 3.616 1
1 192 . 9 1 1 A 21 21 LYS H H 21 7.825 7.956 -0.131 1
1 193 . 9 1 1 A 21 21 LYS HA H 21 3.181 3.773 -0.592 1
1 202 . 9 1 1 A 21 21 LYS C C 21 175.295 175.388 -0.093 1
1 203 . 9 1 1 A 21 21 LYS CA C 21 58.666 57.399 1.267 1
1 204 . 9 1 1 A 21 21 LYS CB C 21 29.784 29.572 0.212 1
1 208 . 9 1 1 A 21 21 LYS N N 21 108.448 112.013 -3.565 1
1 209 . 9 1 1 A 22 22 GLN H H 22 7.611 8.002 -0.391 1
1 210 . 9 1 1 A 22 22 GLN HA H 22 4.429 4.449 -0.020 1
1 215 . 9 1 1 A 22 22 GLN C C 22 174.967 176.601 -1.634 1
1 216 . 9 1 1 A 22 22 GLN CA C 22 56.105 55.521 0.584 1
1 217 . 9 1 1 A 22 22 GLN CB C 22 29.548 30.130 -0.582 1
1 219 . 9 1 1 A 22 22 GLN N N 22 120.482 118.052 2.430 1
1 220 . 9 1 1 A 23 23 THR H H 23 8.201 8.644 -0.443 1
1 221 . 9 1 1 A 23 23 THR HA H 23 4.491 4.411 0.080 1
1 226 . 9 1 1 A 23 23 THR C C 23 175.012 175.032 -0.020 1
1 227 . 9 1 1 A 23 23 THR CA C 23 62.436 63.043 -0.607 1
1 228 . 9 1 1 A 23 23 THR CB C 23 69.501 68.712 0.789 1
1 229 . 9 1 1 A 23 23 THR N N 23 110.354 114.593 -4.239 1
1 230 . 9 1 1 A 24 24 SER H H 24 7.751 7.947 -0.196 1
1 231 . 9 1 1 A 24 24 SER HA H 24 5.136 4.973 0.163 1
1 234 . 9 1 1 A 24 24 SER C C 24 172.623 173.105 -0.482 1
1 235 . 9 1 1 A 24 24 SER CA C 24 57.192 56.710 0.482 1
1 236 . 9 1 1 A 24 24 SER CB C 24 65.459 66.251 -0.792 1
1 237 . 9 1 1 A 24 24 SER N N 24 114.575 114.344 0.231 1
1 238 . 9 1 1 A 25 25 LEU H H 25 9.272 9.263 0.009 1
1 239 . 9 1 1 A 25 25 LEU HA H 25 4.531 4.986 -0.455 1
1 249 . 9 1 1 A 25 25 LEU C C 25 174.436 175.599 -1.163 1
1 250 . 9 1 1 A 25 25 LEU CA C 25 53.929 53.696 0.233 1
1 251 . 9 1 1 A 25 25 LEU CB C 25 45.561 46.579 -1.018 1
1 255 . 9 1 1 A 25 25 LEU N N 25 124.288 122.467 1.821 1
1 256 . 9 1 1 A 26 26 GLN H H 26 8.573 8.767 -0.194 1
1 257 . 9 1 1 A 26 26 GLN HA H 26 4.607 5.251 -0.644 1
1 262 . 9 1 1 A 26 26 GLN C C 26 173.250 174.718 -1.468 1
1 263 . 9 1 1 A 26 26 GLN CA C 26 54.207 54.404 -0.197 1
1 264 . 9 1 1 A 26 26 GLN CB C 26 27.813 31.173 -3.360 1
1 266 . 9 1 1 A 26 26 GLN N N 26 122.971 120.595 2.376 1
1 267 . 9 1 1 A 27 27 LEU H H 27 8.753 8.931 -0.178 1
1 268 . 9 1 1 A 27 27 LEU HA H 27 4.414 5.055 -0.641 1
1 272 . 9 1 1 A 27 27 LEU C C 27 175.313 175.366 -0.053 1
1 273 . 9 1 1 A 27 27 LEU CA C 27 53.132 53.709 -0.577 1
1 274 . 9 1 1 A 27 27 LEU CB C 27 40.489 43.700 -3.211 1
1 278 . 9 1 1 A 27 27 LEU N N 27 126.504 128.264 -1.760 1
1 279 . 9 1 1 A 28 28 ASP H H 28 8.568 9.081 -0.513 1
1 280 . 9 1 1 A 28 28 ASP HA H 28 4.414 5.463 -1.049 1
1 283 . 9 1 1 A 28 28 ASP C C 28 176.147 175.597 0.550 1
1 284 . 9 1 1 A 28 28 ASP CA C 28 53.407 52.504 0.903 1
1 285 . 9 1 1 A 28 28 ASP CB C 28 40.535 42.164 -1.629 1
1 286 . 9 1 1 A 28 28 ASP N N 28 112.805 123.796 -10.991 1
1 287 . 9 1 1 A 29 29 GLY H H 29 7.770 8.774 -1.004 1
1 288 . 9 1 1 A 29 29 GLY HA2 H 29 3.942 4.151 -0.209 1
1 289 . 9 1 1 A 29 29 GLY HA3 H 29 3.806 4.152 -0.346 1
1 290 . 9 1 1 A 29 29 GLY C C 29 174.455 174.508 -0.053 1
1 291 . 9 1 1 A 29 29 GLY CA C 29 47.297 44.919 2.378 1
1 292 . 9 1 1 A 29 29 GLY N N 29 129.863 110.890 18.973 1
1 293 . 9 1 1 A 30 30 VAL H H 30 7.792 8.732 -0.940 1
1 294 . 9 1 1 A 30 30 VAL HA H 30 4.391 4.020 0.371 1
1 302 . 9 1 1 A 30 30 VAL C C 30 174.315 176.648 -2.333 1
1 303 . 9 1 1 A 30 30 VAL CA C 30 62.180 63.919 -1.739 1
1 304 . 9 1 1 A 30 30 VAL CB C 30 35.931 32.579 3.352 1
1 307 . 9 1 1 A 30 30 VAL N N 30 112.711 119.018 -6.307 1
1 308 . 9 1 1 A 31 31 VAL H H 31 8.748 7.687 1.061 1
1 309 . 9 1 1 A 31 31 VAL C C 31 172.882 175.367 -2.485 1
1 310 . 9 1 1 A 31 31 VAL CA C 31 62.284 59.113 3.171 1
1 311 . 9 1 1 A 31 31 VAL CB C 31 33.804 31.701 2.103 1
1 312 . 9 1 1 A 31 31 VAL N N 31 123.316 114.642 8.674 1
1 313 . 9 1 1 A 32 32 PRO HA H 32 5.038 4.989 0.049 1
1 320 . 9 1 1 A 32 32 PRO C C 32 179.633 176.814 2.819 1
1 321 . 9 1 1 A 32 32 PRO CA C 32 63.073 63.849 -0.776 1
1 322 . 9 1 1 A 32 32 PRO CB C 32 32.421 32.850 -0.429 1
1 325 . 9 1 1 A 33 33 THR H H 33 8.739 8.030 0.709 1
1 326 . 9 1 1 A 33 33 THR HA H 33 3.896 4.020 -0.124 1
1 331 . 9 1 1 A 33 33 THR C C 33 174.735 176.238 -1.503 1
1 332 . 9 1 1 A 33 33 THR CA C 33 64.329 65.873 -1.544 1
1 333 . 9 1 1 A 33 33 THR CB C 33 67.929 68.361 -0.432 1
1 335 . 9 1 1 A 33 33 THR N N 33 120.858 114.170 6.688 1
1 336 . 9 1 1 A 34 34 GLY H H 34 8.303 8.038 0.265 1
1 337 . 9 1 1 A 34 34 GLY HA2 H 34 4.359 3.938 0.421 1
1 338 . 9 1 1 A 34 34 GLY HA3 H 34 3.451 3.942 -0.491 1
1 339 . 9 1 1 A 34 34 GLY C C 34 174.037 173.698 0.339 1
1 340 . 9 1 1 A 34 34 GLY CA C 34 45.067 45.609 -0.542 1
1 341 . 9 1 1 A 34 34 GLY N N 34 114.645 108.448 6.197 1
1 342 . 9 1 1 A 35 35 THR H H 35 7.405 7.280 0.125 1
1 343 . 9 1 1 A 35 35 THR HA H 35 4.073 4.772 -0.699 1
1 348 . 9 1 1 A 35 35 THR C C 35 174.540 173.795 0.745 1
1 349 . 9 1 1 A 35 35 THR CA C 35 65.137 61.503 3.634 1
1 350 . 9 1 1 A 35 35 THR CB C 35 69.484 70.532 -1.048 1
1 352 . 9 1 1 A 35 35 THR N N 35 117.340 114.239 3.101 1
1 353 . 9 1 1 A 36 36 ASN H H 36 8.836 8.466 0.370 1
1 354 . 9 1 1 A 36 36 ASN HA H 36 5.686 5.181 0.505 1
1 357 . 9 1 1 A 36 36 ASN C C 36 176.512 176.002 0.510 1
1 358 . 9 1 1 A 36 36 ASN CA C 36 50.439 51.024 -0.585 1
1 359 . 9 1 1 A 36 36 ASN CB C 36 40.274 40.327 -0.053 1
1 360 . 9 1 1 A 36 36 ASN N N 36 127.379 123.865 3.514 1
1 361 . 9 1 1 A 37 37 LEU H H 37 8.045 8.716 -0.671 1
1 362 . 9 1 1 A 37 37 LEU HA H 37 4.142 4.086 0.056 1
1 372 . 9 1 1 A 37 37 LEU C C 37 178.931 178.159 0.772 1
1 373 . 9 1 1 A 37 37 LEU CA C 37 59.274 58.605 0.669 1
1 374 . 9 1 1 A 37 37 LEU CB C 37 42.159 41.411 0.748 1
1 378 . 9 1 1 A 37 37 LEU N N 37 119.164 119.909 -0.745 1
1 379 . 9 1 1 A 38 38 ASN H H 38 7.959 8.183 -0.224 1
1 380 . 9 1 1 A 38 38 ASN HA H 38 4.502 4.447 0.055 1
1 383 . 9 1 1 A 38 38 ASN C C 38 178.691 178.099 0.592 1
1 384 . 9 1 1 A 38 38 ASN CA C 38 57.080 56.502 0.578 1
1 385 . 9 1 1 A 38 38 ASN CB C 38 38.367 38.715 -0.348 1
1 386 . 9 1 1 A 38 38 ASN N N 38 118.522 117.044 1.478 1
1 387 . 9 1 1 A 39 39 GLY H H 39 8.828 8.069 0.759 1
1 388 . 9 1 1 A 39 39 GLY HA2 H 39 4.088 3.746 0.342 1
1 389 . 9 1 1 A 39 39 GLY HA3 H 39 3.911 3.747 0.164 1
1 390 . 9 1 1 A 39 39 GLY C C 39 177.320 175.542 1.778 1
1 391 . 9 1 1 A 39 39 GLY CA C 39 46.879 47.098 -0.219 1
1 392 . 9 1 1 A 39 39 GLY N N 39 109.615 107.162 2.453 1
1 393 . 9 1 1 A 40 40 LEU H H 40 8.829 8.325 0.504 1
1 394 . 9 1 1 A 40 40 LEU HA H 40 4.504 4.058 0.446 1
1 404 . 9 1 1 A 40 40 LEU C C 40 177.788 178.939 -1.151 1
1 405 . 9 1 1 A 40 40 LEU CA C 40 57.770 57.887 -0.117 1
1 406 . 9 1 1 A 40 40 LEU CB C 40 41.713 42.130 -0.417 1
1 410 . 9 1 1 A 40 40 LEU N N 40 125.884 123.282 2.602 1
1 411 . 9 1 1 A 41 41 VAL H H 41 8.333 8.253 0.080 1
1 412 . 9 1 1 A 41 41 VAL HA H 41 3.328 3.804 -0.476 1
1 420 . 9 1 1 A 41 41 VAL C C 41 177.556 177.814 -0.258 1
1 421 . 9 1 1 A 41 41 VAL CA C 41 67.977 65.293 2.684 1
1 422 . 9 1 1 A 41 41 VAL CB C 41 31.080 31.182 -0.102 1
1 425 . 9 1 1 A 41 41 VAL N N 41 120.213 115.189 5.024 1
1 426 . 9 1 1 A 42 42 GLN H H 42 7.672 7.952 -0.280 1
1 427 . 9 1 1 A 42 42 GLN HA H 42 3.866 4.025 -0.159 1
1 432 . 9 1 1 A 42 42 GLN C C 42 177.980 178.050 -0.070 1
1 433 . 9 1 1 A 42 42 GLN CA C 42 58.694 59.016 -0.322 1
1 434 . 9 1 1 A 42 42 GLN CB C 42 27.809 28.340 -0.531 1
1 436 . 9 1 1 A 42 42 GLN N N 42 116.386 121.799 -5.413 1
1 437 . 9 1 1 A 43 43 LEU H H 43 8.080 7.639 0.441 1
1 438 . 9 1 1 A 43 43 LEU HA H 43 4.225 4.178 0.047 1
1 448 . 9 1 1 A 43 43 LEU C C 43 179.999 178.348 1.651 1
1 449 . 9 1 1 A 43 43 LEU CA C 43 58.275 57.541 0.734 1
1 450 . 9 1 1 A 43 43 LEU CB C 43 43.046 41.303 1.743 1
1 454 . 9 1 1 A 43 43 LEU N N 43 122.204 120.553 1.651 1
1 455 . 9 1 1 A 44 44 LEU H H 44 8.810 8.205 0.605 1
1 456 . 9 1 1 A 44 44 LEU HA H 44 4.384 4.459 -0.075 1
1 466 . 9 1 1 A 44 44 LEU C C 44 179.311 178.758 0.553 1
1 467 . 9 1 1 A 44 44 LEU CA C 44 58.397 57.311 1.086 1
1 468 . 9 1 1 A 44 44 LEU CB C 44 41.553 42.684 -1.131 1
1 472 . 9 1 1 A 44 44 LEU N N 44 119.371 118.103 1.268 1
1 473 . 9 1 1 A 45 45 LYS H H 45 8.652 8.534 0.118 1
1 474 . 9 1 1 A 45 45 LYS HA H 45 3.678 4.093 -0.415 1
1 483 . 9 1 1 A 45 45 LYS C C 45 177.005 178.918 -1.913 1
1 484 . 9 1 1 A 45 45 LYS CA C 45 60.016 58.914 1.102 1
1 485 . 9 1 1 A 45 45 LYS CB C 45 32.411 32.280 0.131 1
1 489 . 9 1 1 A 45 45 LYS N N 45 120.434 120.017 0.417 1
1 490 . 9 1 1 A 46 46 THR H H 46 8.180 8.300 -0.120 1
1 491 . 9 1 1 A 46 46 THR HA H 46 4.027 4.070 -0.043 1
1 496 . 9 1 1 A 46 46 THR C C 46 176.217 175.826 0.391 1
1 497 . 9 1 1 A 46 46 THR CA C 46 65.173 65.797 -0.624 1
1 498 . 9 1 1 A 46 46 THR CB C 46 69.680 68.462 1.218 1
1 500 . 9 1 1 A 46 46 THR N N 46 109.149 115.959 -6.810 1
1 501 . 9 1 1 A 47 47 ASN H H 47 8.170 7.672 0.498 1
1 502 . 9 1 1 A 47 47 ASN HA H 47 4.785 4.560 0.225 1
1 505 . 9 1 1 A 47 47 ASN C C 47 175.267 175.132 0.135 1
1 506 . 9 1 1 A 47 47 ASN CA C 47 54.213 54.589 -0.376 1
1 507 . 9 1 1 A 47 47 ASN CB C 47 40.712 40.299 0.413 1
1 508 . 9 1 1 A 47 47 ASN N N 47 116.045 118.020 -1.975 1
1 509 . 9 1 1 A 48 48 TYR H H 48 8.094 7.854 0.240 1
1 510 . 9 1 1 A 48 48 TYR HA H 48 4.695 4.722 -0.027 1
1 513 . 9 1 1 A 48 48 TYR C C 48 175.011 176.009 -0.998 1
1 514 . 9 1 1 A 48 48 TYR CA C 48 60.273 55.995 4.278 1
1 515 . 9 1 1 A 48 48 TYR CB C 48 41.189 37.436 3.753 1
1 516 . 9 1 1 A 48 48 TYR N N 48 115.849 116.177 -0.328 1
1 517 . 9 1 1 A 49 49 VAL H H 49 7.769 7.543 0.226 1
1 518 . 9 1 1 A 49 49 VAL HA H 49 3.715 4.040 -0.325 1
1 526 . 9 1 1 A 49 49 VAL C C 49 176.157 175.870 0.287 1
1 527 . 9 1 1 A 49 49 VAL CA C 49 63.454 64.210 -0.756 1
1 528 . 9 1 1 A 49 49 VAL CB C 49 31.695 32.454 -0.759 1
1 531 . 9 1 1 A 49 49 VAL N N 49 120.510 121.315 -0.805 1
1 532 . 9 1 1 A 50 50 LYS H H 50 8.334 7.748 0.586 1
1 533 . 9 1 1 A 50 50 LYS HA H 50 4.242 3.852 0.390 1
1 542 . 9 1 1 A 50 50 LYS C C 50 176.562 175.589 0.973 1
1 543 . 9 1 1 A 50 50 LYS CA C 50 55.979 58.729 -2.750 1
1 544 . 9 1 1 A 50 50 LYS CB C 50 32.822 30.292 2.530 1
1 548 . 9 1 1 A 50 50 LYS N N 50 125.933 120.739 5.194 1
1 549 . 9 1 1 A 51 51 GLU H H 51 7.598 8.638 -1.040 1
1 550 . 9 1 1 A 51 51 GLU HA H 51 4.328 4.400 -0.072 1
1 553 . 9 1 1 A 51 51 GLU C C 51 172.975 175.445 -2.470 1
1 554 . 9 1 1 A 51 51 GLU CA C 51 55.074 55.376 -0.302 1
1 555 . 9 1 1 A 51 51 GLU CB C 51 32.633 31.515 1.118 1
1 557 . 9 1 1 A 51 51 GLU N N 51 117.804 119.404 -1.600 1
1 558 . 9 1 1 A 52 52 ARG H H 52 8.383 8.175 0.208 1
1 559 . 9 1 1 A 52 52 ARG CA C 52 53.279 54.300 -1.021 1
1 560 . 9 1 1 A 52 52 ARG CB C 52 26.615 30.993 -4.378 1
1 561 . 9 1 1 A 52 52 ARG N N 52 111.793 122.479 -10.686 1
1 562 . 9 1 1 A 53 53 PRO HA H 53 4.029 4.486 -0.457 1
1 569 . 9 1 1 A 53 53 PRO C C 53 177.018 177.183 -0.165 1
1 570 . 9 1 1 A 53 53 PRO CA C 53 65.474 64.457 1.017 1
1 571 . 9 1 1 A 53 53 PRO CB C 53 30.916 31.927 -1.011 1
1 574 . 9 1 1 A 53 53 PRO N N 53 111.793 141.660 -29.867 1
1 575 . 9 1 1 A 54 54 ASP H H 54 8.462 8.606 -0.144 1
1 576 . 9 1 1 A 54 54 ASP HA H 54 4.345 4.680 -0.335 1
1 579 . 9 1 1 A 54 54 ASP C C 54 176.493 177.656 -1.163 1
1 580 . 9 1 1 A 54 54 ASP CA C 54 54.982 54.387 0.595 1
1 581 . 9 1 1 A 54 54 ASP CB C 54 39.451 41.403 -1.952 1
1 582 . 9 1 1 A 54 54 ASP N N 54 113.848 117.562 -3.714 1
1 583 . 9 1 1 A 55 55 LEU H H 55 7.766 7.566 0.200 1
1 584 . 9 1 1 A 55 55 LEU HA H 55 4.235 4.178 0.057 1
1 594 . 9 1 1 A 55 55 LEU C C 55 175.873 178.274 -2.401 1
1 595 . 9 1 1 A 55 55 LEU CA C 55 55.305 57.249 -1.944 1
1 596 . 9 1 1 A 55 55 LEU CB C 55 41.271 41.790 -0.519 1
1 600 . 9 1 1 A 55 55 LEU N N 55 117.721 117.939 -0.218 1
1 601 . 9 1 1 A 56 56 LEU H H 56 7.630 7.689 -0.059 1
1 602 . 9 1 1 A 56 56 LEU HA H 56 4.552 4.538 0.014 1
1 612 . 9 1 1 A 56 56 LEU C C 56 175.341 177.152 -1.811 1
1 613 . 9 1 1 A 56 56 LEU CA C 56 55.516 56.152 -0.636 1
1 614 . 9 1 1 A 56 56 LEU CB C 56 44.910 43.004 1.906 1
1 618 . 9 1 1 A 56 56 LEU N N 56 118.796 116.415 2.381 1
1 619 . 9 1 1 A 57 57 VAL H H 57 7.206 7.450 -0.244 1
1 620 . 9 1 1 A 57 57 VAL HA H 57 5.048 4.101 0.947 1
1 628 . 9 1 1 A 57 57 VAL C C 57 175.020 176.008 -0.988 1
1 629 . 9 1 1 A 57 57 VAL CA C 57 58.550 62.208 -3.658 1
1 630 . 9 1 1 A 57 57 VAL CB C 57 35.049 32.736 2.313 1
1 633 . 9 1 1 A 57 57 VAL N N 57 106.872 119.663 -12.791 1
1 634 . 9 1 1 A 58 58 ASP H H 58 8.447 9.338 -0.891 1
1 635 . 9 1 1 A 58 58 ASP HA H 58 4.459 4.291 0.168 1
1 638 . 9 1 1 A 58 58 ASP C C 58 177.406 177.098 0.308 1
1 639 . 9 1 1 A 58 58 ASP CA C 58 53.130 57.199 -4.069 1
1 640 . 9 1 1 A 58 58 ASP CB C 58 40.985 41.353 -0.368 1
1 641 . 9 1 1 A 58 58 ASP N N 58 118.741 124.190 -5.449 1
1 642 . 9 1 1 A 59 59 GLN H H 59 8.883 7.907 0.976 1
1 643 . 9 1 1 A 59 59 GLN HA H 59 4.031 4.610 -0.579 1
1 648 . 9 1 1 A 59 59 GLN C C 59 177.499 176.590 0.909 1
1 649 . 9 1 1 A 59 59 GLN CA C 59 59.120 57.306 1.814 1
1 650 . 9 1 1 A 59 59 GLN CB C 59 28.389 31.429 -3.040 1
1 652 . 9 1 1 A 59 59 GLN N N 59 119.603 116.965 2.638 1
1 653 . 9 1 1 A 60 60 THR H H 60 8.060 8.131 -0.071 1
1 654 . 9 1 1 A 60 60 THR HA H 60 4.296 4.414 -0.118 1
1 659 . 9 1 1 A 60 60 THR C C 60 176.363 175.410 0.953 1
1 660 . 9 1 1 A 60 60 THR CA C 60 63.358 62.514 0.844 1
1 661 . 9 1 1 A 60 60 THR CB C 60 70.577 69.690 0.887 1
1 663 . 9 1 1 A 60 60 THR N N 60 109.323 108.594 0.729 1
1 664 . 9 1 1 A 61 61 GLY H H 61 8.001 8.016 -0.015 1
1 665 . 9 1 1 A 61 61 GLY HA2 H 61 4.173 3.917 0.256 1
1 666 . 9 1 1 A 61 61 GLY HA3 H 61 3.610 3.925 -0.315 1
1 667 . 9 1 1 A 61 61 GLY C C 61 174.049 174.026 0.023 1
1 668 . 9 1 1 A 61 61 GLY CA C 61 45.301 46.437 -1.136 1
1 669 . 9 1 1 A 61 61 GLY N N 61 109.323 110.655 -1.332 1
1 670 . 9 1 1 A 62 62 GLN H H 62 8.091 8.162 -0.071 1
1 671 . 9 1 1 A 62 62 GLN HA H 62 4.172 4.671 -0.499 1
1 674 . 9 1 1 A 62 62 GLN C C 62 175.201 175.131 0.070 1
1 675 . 9 1 1 A 62 62 GLN CA C 62 56.474 56.959 -0.485 1
1 676 . 9 1 1 A 62 62 GLN CB C 62 30.618 31.933 -1.315 1
1 678 . 9 1 1 A 62 62 GLN N N 62 117.247 119.093 -1.846 1
1 679 . 9 1 1 A 63 63 THR H H 63 7.740 7.966 -0.226 1
1 680 . 9 1 1 A 63 63 THR HA H 63 4.624 4.803 -0.179 1
1 685 . 9 1 1 A 63 63 THR C C 63 172.622 173.814 -1.192 1
1 686 . 9 1 1 A 63 63 THR CA C 63 59.718 59.841 -0.123 1
1 687 . 9 1 1 A 63 63 THR CB C 63 70.832 71.129 -0.297 1
1 689 . 9 1 1 A 63 63 THR N N 63 113.860 113.279 0.581 1
1 690 . 9 1 1 A 64 64 LEU H H 64 8.364 8.773 -0.409 1
1 691 . 9 1 1 A 64 64 LEU HA H 64 4.324 4.327 -0.003 1
1 701 . 9 1 1 A 64 64 LEU C C 64 176.311 177.487 -1.176 1
1 702 . 9 1 1 A 64 64 LEU CA C 64 55.025 55.372 -0.347 1
1 703 . 9 1 1 A 64 64 LEU CB C 64 43.871 42.337 1.534 1
1 707 . 9 1 1 A 64 64 LEU N N 64 123.689 127.101 -3.412 1
1 708 . 9 1 1 A 65 65 ARG H H 65 8.192 9.122 -0.930 1
1 709 . 9 1 1 A 65 65 ARG C C 65 173.609 175.420 -1.811 1
1 710 . 9 1 1 A 65 65 ARG CA C 65 55.287 55.285 0.002 1
1 711 . 9 1 1 A 65 65 ARG CB C 65 29.681 30.437 -0.756 1
1 712 . 9 1 1 A 65 65 ARG N N 65 126.639 123.725 2.914 1
1 713 . 9 1 1 A 66 66 PRO HA H 66 4.390 4.245 0.145 1
1 720 . 9 1 1 A 66 66 PRO C C 66 177.030 177.374 -0.344 1
1 721 . 9 1 1 A 66 66 PRO CA C 66 63.719 63.615 0.104 1
1 722 . 9 1 1 A 66 66 PRO CB C 66 31.825 31.378 0.447 1
1 725 . 9 1 1 A 66 66 PRO N N 66 126.639 136.123 -9.484 1
1 726 . 9 1 1 A 67 67 GLY H H 67 8.744 8.884 -0.140 1
1 727 . 9 1 1 A 67 67 GLY HA2 H 67 4.232 3.974 0.258 1
1 728 . 9 1 1 A 67 67 GLY HA3 H 67 3.544 3.988 -0.444 1
1 729 . 9 1 1 A 67 67 GLY C C 67 174.319 174.652 -0.333 1
1 730 . 9 1 1 A 67 67 GLY CA C 67 44.818 45.414 -0.596 1
1 731 . 9 1 1 A 68 68 ILE H H 68 7.522 7.937 -0.415 1
1 732 . 9 1 1 A 68 68 ILE HA H 68 4.690 4.519 0.171 1
1 742 . 9 1 1 A 68 68 ILE C C 68 174.703 175.121 -0.418 1
1 743 . 9 1 1 A 68 68 ILE CA C 68 61.047 60.596 0.451 1
1 744 . 9 1 1 A 68 68 ILE CB C 68 38.090 38.277 -0.187 1
1 748 . 9 1 1 A 68 68 ILE N N 68 121.049 121.489 -0.440 1
1 749 . 9 1 1 A 69 69 LEU H H 69 9.207 9.456 -0.249 1
1 750 . 9 1 1 A 69 69 LEU HA H 69 4.449 4.900 -0.451 1
1 760 . 9 1 1 A 69 69 LEU C C 69 174.991 176.062 -1.071 1
1 761 . 9 1 1 A 69 69 LEU CA C 69 54.106 53.477 0.629 1
1 762 . 9 1 1 A 69 69 LEU CB C 69 43.588 42.110 1.478 1
1 766 . 9 1 1 A 69 69 LEU N N 69 131.197 129.067 2.130 1
1 767 . 9 1 1 A 70 70 VAL H H 70 8.149 8.361 -0.212 1
1 768 . 9 1 1 A 70 70 VAL HA H 70 4.955 4.499 0.456 1
1 776 . 9 1 1 A 70 70 VAL C C 70 175.167 175.444 -0.277 1
1 777 . 9 1 1 A 70 70 VAL CA C 70 59.928 61.462 -1.534 1
1 778 . 9 1 1 A 70 70 VAL CB C 70 33.239 32.572 0.667 1
1 781 . 9 1 1 A 70 70 VAL N N 70 121.953 123.440 -1.487 1
1 782 . 9 1 1 A 71 71 LEU H H 71 8.881 8.264 0.617 1
1 783 . 9 1 1 A 71 71 LEU HA H 71 4.922 5.375 -0.453 1
1 793 . 9 1 1 A 71 71 LEU C C 71 176.487 175.681 0.806 1
1 794 . 9 1 1 A 71 71 LEU CA C 71 52.627 53.502 -0.875 1
1 795 . 9 1 1 A 71 71 LEU CB C 71 44.487 45.688 -1.201 1
1 799 . 9 1 1 A 71 71 LEU N N 71 126.071 125.785 0.286 1
1 800 . 9 1 1 A 72 72 VAL H H 72 9.048 9.100 -0.052 1
1 801 . 9 1 1 A 72 72 VAL HA H 72 4.351 4.779 -0.428 1
1 809 . 9 1 1 A 72 72 VAL C C 72 176.078 175.841 0.237 1
1 810 . 9 1 1 A 72 72 VAL CA C 72 60.886 60.981 -0.095 1
1 811 . 9 1 1 A 72 72 VAL CB C 72 33.141 32.759 0.382 1
1 814 . 9 1 1 A 72 72 VAL N N 72 120.969 124.340 -3.371 1
1 815 . 9 1 1 A 73 73 ASN H H 73 9.630 9.470 0.160 1
1 816 . 9 1 1 A 73 73 ASN HA H 73 4.335 4.370 -0.035 1
1 821 . 9 1 1 A 73 73 ASN C C 73 175.496 175.284 0.212 1
1 822 . 9 1 1 A 73 73 ASN CA C 73 54.736 54.622 0.114 1
1 823 . 9 1 1 A 73 73 ASN CB C 73 36.825 36.817 0.008 1
1 824 . 9 1 1 A 73 73 ASN N N 73 129.082 127.490 1.592 1
1 825 . 9 1 1 A 74 74 SER H H 74 9.308 8.521 0.787 1
1 826 . 9 1 1 A 74 74 SER C C 74 172.584 173.128 -0.544 1
1 827 . 9 1 1 A 74 74 SER N N 74 106.084 110.692 -4.608 1
1 828 . 9 1 1 A 75 75 CYS H H 75 7.845 7.633 0.212 1
1 829 . 9 1 1 A 75 75 CYS C C 75 176.045 172.839 3.206 1
1 830 . 9 1 1 A 75 75 CYS CA C 75 57.152 58.367 -1.215 1
1 831 . 9 1 1 A 75 75 CYS CB C 75 29.101 31.452 -2.351 1
1 832 . 9 1 1 A 75 75 CYS N N 75 120.460 119.215 1.245 1
1 833 . 9 1 1 A 76 76 ASP H H 76 8.766 8.564 0.202 1
1 834 . 9 1 1 A 76 76 ASP HA H 76 4.295 4.494 -0.199 1
1 837 . 9 1 1 A 76 76 ASP C C 76 177.713 177.114 0.599 1
1 838 . 9 1 1 A 76 76 ASP CA C 76 55.721 54.899 0.822 1
1 839 . 9 1 1 A 76 76 ASP CB C 76 41.513 40.835 0.678 1
1 840 . 9 1 1 A 76 76 ASP N N 76 126.661 124.586 2.075 1
1 841 . 9 1 1 A 77 77 ALA H H 77 8.555 9.074 -0.519 1
1 842 . 9 1 1 A 77 77 ALA HA H 77 3.688 4.070 -0.382 1
1 846 . 9 1 1 A 77 77 ALA C C 77 180.149 179.074 1.075 1
1 847 . 9 1 1 A 77 77 ALA CA C 77 54.334 54.020 0.314 1
1 848 . 9 1 1 A 77 77 ALA CB C 77 18.453 18.547 -0.094 1
1 849 . 9 1 1 A 77 77 ALA N N 77 128.302 125.630 2.672 1
1 850 . 9 1 1 A 78 78 GLU H H 78 9.034 7.775 1.259 1
1 851 . 9 1 1 A 78 78 GLU HA H 78 3.763 4.121 -0.358 1
1 856 . 9 1 1 A 78 78 GLU C C 78 179.359 179.264 0.095 1
1 857 . 9 1 1 A 78 78 GLU CA C 78 59.569 58.967 0.602 1
1 858 . 9 1 1 A 78 78 GLU CB C 78 29.511 29.271 0.240 1
1 860 . 9 1 1 A 78 78 GLU N N 78 117.499 118.662 -1.163 1
1 861 . 9 1 1 A 79 79 VAL H H 79 7.753 7.953 -0.200 1
1 862 . 9 1 1 A 79 79 VAL HA H 79 3.927 3.654 0.273 1
1 870 . 9 1 1 A 79 79 VAL C C 79 177.408 178.148 -0.740 1
1 871 . 9 1 1 A 79 79 VAL CA C 79 64.439 66.401 -1.962 1
1 872 . 9 1 1 A 79 79 VAL CB C 79 31.904 31.705 0.199 1
1 875 . 9 1 1 A 79 79 VAL N N 79 115.536 120.994 -5.458 1
1 876 . 9 1 1 A 80 80 VAL H H 80 7.123 7.696 -0.573 1
1 877 . 9 1 1 A 80 80 VAL HA H 80 4.443 4.023 0.420 1
1 885 . 9 1 1 A 80 80 VAL C C 80 175.020 177.120 -2.100 1
1 886 . 9 1 1 A 80 80 VAL CA C 80 60.286 64.899 -4.613 1
1 887 . 9 1 1 A 80 80 VAL CB C 80 30.948 31.774 -0.826 1
1 890 . 9 1 1 A 80 80 VAL N N 80 109.738 115.775 -6.037 1
1 891 . 9 1 1 A 81 81 GLY H H 81 7.210 7.533 -0.323 1
1 892 . 9 1 1 A 81 81 GLY HA2 H 81 4.511 4.110 0.401 1
1 893 . 9 1 1 A 81 81 GLY HA3 H 81 3.664 4.142 -0.478 1
1 894 . 9 1 1 A 81 81 GLY C C 81 175.262 175.923 -0.661 1
1 895 . 9 1 1 A 81 81 GLY CA C 81 44.964 45.841 -0.877 1
1 896 . 9 1 1 A 81 81 GLY N N 81 106.697 108.946 -2.249 1
1 897 . 9 1 1 A 82 82 GLY H H 82 8.673 8.601 0.072 1
1 898 . 9 1 1 A 82 82 GLY HA2 H 82 4.022 3.993 0.029 1
1 899 . 9 1 1 A 82 82 GLY HA3 H 82 3.150 4.010 -0.860 1
1 900 . 9 1 1 A 82 82 GLY C C 82 174.547 173.821 0.726 1
1 901 . 9 1 1 A 82 82 GLY CA C 82 45.151 45.670 -0.519 1
1 902 . 9 1 1 A 82 82 GLY N N 82 111.931 108.733 3.198 1
1 903 . 9 1 1 A 83 83 MET H H 83 8.841 7.804 1.037 1
1 904 . 9 1 1 A 83 83 MET HA H 83 4.582 4.835 -0.253 1
1 909 . 9 1 1 A 83 83 MET C C 83 176.001 175.239 0.762 1
1 910 . 9 1 1 A 83 83 MET CA C 83 55.737 54.577 1.160 1
1 911 . 9 1 1 A 83 83 MET CB C 83 30.273 33.299 -3.026 1
1 913 . 9 1 1 A 83 83 MET N N 83 119.840 115.746 4.094 1
1 914 . 9 1 1 A 84 84 ASP H H 84 7.395 8.131 -0.736 1
1 915 . 9 1 1 A 84 84 ASP HA H 84 4.695 4.977 -0.282 1
1 918 . 9 1 1 A 84 84 ASP C C 84 176.694 174.994 1.700 1
1 919 . 9 1 1 A 84 84 ASP CA C 84 54.300 53.129 1.171 1
1 920 . 9 1 1 A 84 84 ASP CB C 84 41.551 41.782 -0.231 1
1 921 . 9 1 1 A 84 84 ASP N N 84 114.478 120.800 -6.322 1
1 922 . 9 1 1 A 85 85 TYR H H 85 7.930 7.985 -0.055 1
1 923 . 9 1 1 A 85 85 TYR HA H 85 4.148 4.774 -0.626 1
1 926 . 9 1 1 A 85 85 TYR C C 85 173.845 174.983 -1.138 1
1 927 . 9 1 1 A 85 85 TYR CA C 85 59.520 56.629 2.891 1
1 928 . 9 1 1 A 85 85 TYR CB C 85 38.105 38.757 -0.652 1
1 929 . 9 1 1 A 85 85 TYR N N 85 123.769 121.836 1.933 1
1 930 . 9 1 1 A 86 86 VAL H H 86 7.755 8.215 -0.460 1
1 931 . 9 1 1 A 86 86 VAL HA H 86 3.402 4.278 -0.876 1
1 939 . 9 1 1 A 86 86 VAL C C 86 173.896 175.362 -1.466 1
1 940 . 9 1 1 A 86 86 VAL CA C 86 62.779 61.631 1.148 1
1 941 . 9 1 1 A 86 86 VAL CB C 86 31.843 32.714 -0.871 1
1 944 . 9 1 1 A 86 86 VAL N N 86 130.130 124.617 5.513 1
1 945 . 9 1 1 A 87 87 LEU H H 87 7.069 8.559 -1.490 1
1 946 . 9 1 1 A 87 87 LEU HA H 87 3.833 4.919 -1.086 1
1 956 . 9 1 1 A 87 87 LEU C C 87 176.432 175.668 0.764 1
1 957 . 9 1 1 A 87 87 LEU CA C 87 55.977 53.711 2.266 1
1 958 . 9 1 1 A 87 87 LEU CB C 87 42.126 45.321 -3.195 1
1 962 . 9 1 1 A 87 87 LEU N N 87 121.577 121.433 0.144 1
1 963 . 9 1 1 A 88 88 ASN H H 88 8.705 9.087 -0.382 1
1 964 . 9 1 1 A 88 88 ASN HA H 88 4.717 4.942 -0.225 1
1 967 . 9 1 1 A 88 88 ASN C C 88 173.156 174.360 -1.204 1
1 968 . 9 1 1 A 88 88 ASN CA C 88 51.471 54.886 -3.415 1
1 969 . 9 1 1 A 88 88 ASN CB C 88 41.622 40.951 0.671 1
1 970 . 9 1 1 A 88 88 ASN N N 88 120.561 118.247 2.314 1
1 971 . 9 1 1 A 89 89 ASP H H 89 8.482 8.358 0.124 1
1 972 . 9 1 1 A 89 89 ASP HA H 89 3.937 5.055 -1.118 1
1 975 . 9 1 1 A 89 89 ASP C C 89 178.751 175.463 3.288 1
1 976 . 9 1 1 A 89 89 ASP CA C 89 56.268 52.915 3.353 1
1 977 . 9 1 1 A 89 89 ASP CB C 89 40.380 44.223 -3.843 1
1 978 . 9 1 1 A 89 89 ASP N N 89 122.084 115.137 6.947 1
1 979 . 9 1 1 A 90 90 GLY H H 90 9.334 8.891 0.443 1
1 980 . 9 1 1 A 90 90 GLY HA2 H 90 4.314 3.638 0.676 1
1 981 . 9 1 1 A 90 90 GLY HA3 H 90 3.619 3.829 -0.210 1
1 982 . 9 1 1 A 90 90 GLY C C 90 174.907 173.577 1.330 1
1 983 . 9 1 1 A 90 90 GLY CA C 90 45.076 45.453 -0.377 1
1 984 . 9 1 1 A 90 90 GLY N N 90 117.218 111.173 6.045 1
1 985 . 9 1 1 A 91 91 ASP H H 91 7.987 7.979 0.008 1
1 986 . 9 1 1 A 91 91 ASP HA H 91 4.745 4.885 -0.140 1
1 989 . 9 1 1 A 91 91 ASP C C 91 175.436 175.551 -0.115 1
1 990 . 9 1 1 A 91 91 ASP CA C 91 55.954 53.519 2.435 1
1 991 . 9 1 1 A 91 91 ASP CB C 91 41.876 42.640 -0.764 1
1 992 . 9 1 1 A 91 91 ASP N N 91 122.336 121.168 1.168 1
1 993 . 9 1 1 A 92 92 THR H H 92 8.227 8.753 -0.526 1
1 994 . 9 1 1 A 92 92 THR HA H 92 5.093 5.214 -0.121 1
1 999 . 9 1 1 A 92 92 THR C C 92 173.702 172.954 0.748 1
1 1000 . 9 1 1 A 92 92 THR CA C 92 61.477 61.613 -0.136 1
1 1001 . 9 1 1 A 92 92 THR CB C 92 70.032 71.712 -1.680 1
1 1003 . 9 1 1 A 92 92 THR N N 92 115.456 117.454 -1.998 1
1 1004 . 9 1 1 A 93 93 VAL H H 93 9.039 9.199 -0.160 1
1 1005 . 9 1 1 A 93 93 VAL HA H 93 4.731 5.005 -0.274 1
1 1013 . 9 1 1 A 93 93 VAL C C 93 173.391 173.859 -0.468 1
1 1014 . 9 1 1 A 93 93 VAL CA C 93 59.984 60.109 -0.125 1
1 1015 . 9 1 1 A 93 93 VAL CB C 93 33.978 34.967 -0.989 1
1 1018 . 9 1 1 A 93 93 VAL N N 93 129.109 125.814 3.295 1
1 1019 . 9 1 1 A 94 94 GLU H H 94 9.012 8.687 0.325 1
1 1020 . 9 1 1 A 94 94 GLU HA H 94 4.941 5.065 -0.124 1
1 1025 . 9 1 1 A 94 94 GLU C C 94 173.669 175.366 -1.697 1
1 1026 . 9 1 1 A 94 94 GLU CA C 94 53.577 54.789 -1.212 1
1 1027 . 9 1 1 A 94 94 GLU CB C 94 32.853 33.141 -0.288 1
1 1029 . 9 1 1 A 94 94 GLU N N 94 126.881 127.174 -0.293 1
1 1030 . 9 1 1 A 95 95 PHE H H 95 9.012 8.438 0.574 1
1 1031 . 9 1 1 A 95 95 PHE HA H 95 4.941 5.147 -0.206 1
1 1034 . 9 1 1 A 95 95 PHE C C 95 174.687 174.595 0.092 1
1 1035 . 9 1 1 A 95 95 PHE CA C 95 56.843 56.331 0.512 1
1 1036 . 9 1 1 A 95 95 PHE CB C 95 40.889 39.819 1.070 1
1 1037 . 9 1 1 A 95 95 PHE N N 95 122.718 121.167 1.551 1
1 1038 . 9 1 1 A 96 96 ILE H H 96 9.292 9.232 0.060 1
1 1039 . 9 1 1 A 96 96 ILE HA H 96 4.573 5.053 -0.480 1
1 1049 . 9 1 1 A 96 96 ILE C C 96 175.897 174.646 1.251 1
1 1050 . 9 1 1 A 96 96 ILE CA C 96 59.748 60.587 -0.839 1
1 1051 . 9 1 1 A 96 96 ILE CB C 96 40.938 38.825 2.113 1
1 1055 . 9 1 1 A 96 96 ILE N N 96 123.112 125.667 -2.555 1
1 1056 . 9 1 1 A 97 97 SER H H 97 8.245 8.998 -0.753 1
1 1057 . 9 1 1 A 97 97 SER HA H 97 4.800 4.733 0.067 1
1 1060 . 9 1 1 A 97 97 SER C C 97 175.130 174.005 1.125 1
1 1061 . 9 1 1 A 97 97 SER CA C 97 58.154 58.221 -0.067 1
1 1062 . 9 1 1 A 97 97 SER CB C 97 63.137 64.089 -0.952 1
1 1063 . 9 1 1 A 97 97 SER N N 97 121.343 123.069 -1.726 1
1 1064 . 9 1 1 A 98 98 THR H H 98 8.181 8.712 -0.531 1
1 1065 . 9 1 1 A 98 98 THR HA H 98 4.549 4.639 -0.090 1
1 1070 . 9 1 1 A 98 98 THR C C 98 174.729 174.236 0.493 1
1 1071 . 9 1 1 A 98 98 THR CA C 98 61.603 62.324 -0.721 1
1 1072 . 9 1 1 A 98 98 THR CB C 98 69.890 70.088 -0.198 1
1 1074 . 9 1 1 A 98 98 THR N N 98 116.451 117.919 -1.468 1
1 1075 . 9 1 1 A 99 99 LEU H H 99 8.033 7.269 0.764 1
1 1076 . 9 1 1 A 99 99 LEU HA H 99 4.234 4.350 -0.116 1
1 1086 . 9 1 1 A 99 99 LEU C C 99 177.349 175.321 2.028 1
1 1087 . 9 1 1 A 99 99 LEU CA C 99 55.517 54.156 1.361 1
1 1088 . 9 1 1 A 99 99 LEU CB C 99 41.996 41.035 0.961 1
1 1092 . 9 1 1 A 99 99 LEU N N 99 122.869 123.116 -0.247 1
1 1093 . 9 1 1 A 100 100 HIS H H 100 8.558 8.336 0.222 1
1 1094 . 9 1 1 A 100 100 HIS HA H 100 4.460 5.153 -0.693 1
1 1097 . 9 1 1 A 100 100 HIS C C 100 175.718 174.902 0.816 1
1 1098 . 9 1 1 A 100 100 HIS CA C 100 56.096 54.862 1.234 1
1 1099 . 9 1 1 A 100 100 HIS CB C 100 29.709 30.890 -1.181 1
1 1100 . 9 1 1 A 100 100 HIS N N 100 120.437 121.681 -1.244 1
1 1101 . 9 1 1 A 101 101 GLY H H 101 8.477 8.378 0.099 1
1 1102 . 9 1 1 A 101 101 GLY HA2 H 101 3.888 3.915 -0.027 1
1 1103 . 9 1 1 A 101 101 GLY HA3 H 101 3.888 3.969 -0.081 1
1 1104 . 9 1 1 A 101 101 GLY C C 101 174.614 173.232 1.382 1
1 1105 . 9 1 1 A 101 101 GLY CA C 101 45.529 44.428 1.101 1
1 1106 . 9 1 1 A 101 101 GLY N N 101 110.340 110.307 0.033 1
1 7 . 10 1 1 A 2 2 SER H H 2 8.206 8.111 0.095 1
1 8 . 10 1 1 A 2 2 SER N N 2 126.498 113.087 13.411 1
1 9 . 10 1 1 A 3 3 ASN HA H 3 5.166 4.974 0.192 1
1 12 . 10 1 1 A 3 3 ASN C C 3 175.527 176.111 -0.584 1
1 13 . 10 1 1 A 3 3 ASN CA C 3 51.466 54.246 -2.780 1
1 14 . 10 1 1 A 3 3 ASN CB C 3 39.931 40.663 -0.732 1
1 15 . 10 1 1 A 4 4 HIS H H 4 8.859 8.130 0.729 1
1 16 . 10 1 1 A 4 4 HIS HA H 4 4.165 4.663 -0.498 1
1 19 . 10 1 1 A 4 4 HIS C C 4 175.897 173.948 1.949 1
1 20 . 10 1 1 A 4 4 HIS CA C 4 56.644 56.451 0.193 1
1 21 . 10 1 1 A 4 4 HIS CB C 4 30.122 28.620 1.502 1
1 22 . 10 1 1 A 4 4 HIS N N 4 120.656 117.548 3.108 1
1 23 . 10 1 1 A 5 5 ASN H H 5 8.263 8.382 -0.119 1
1 24 . 10 1 1 A 5 5 ASN HA H 5 4.274 4.987 -0.713 1
1 27 . 10 1 1 A 5 5 ASN C C 5 177.939 175.282 2.657 1
1 28 . 10 1 1 A 5 5 ASN CA C 5 57.261 53.277 3.984 1
1 29 . 10 1 1 A 5 5 ASN CB C 5 38.232 38.823 -0.591 1
1 30 . 10 1 1 A 5 5 ASN N N 5 121.699 122.146 -0.447 1
1 31 . 10 1 1 A 6 6 HIS H H 6 9.675 8.605 1.070 1
1 32 . 10 1 1 A 6 6 HIS HA H 6 5.261 5.400 -0.139 1
1 35 . 10 1 1 A 6 6 HIS C C 6 171.876 172.138 -0.262 1
1 36 . 10 1 1 A 6 6 HIS CA C 6 56.016 54.859 1.157 1
1 37 . 10 1 1 A 6 6 HIS CB C 6 31.324 31.937 -0.613 1
1 38 . 10 1 1 A 6 6 HIS N N 6 117.245 116.396 0.849 1
1 39 . 10 1 1 A 7 7 ILE H H 7 7.753 8.463 -0.710 1
1 40 . 10 1 1 A 7 7 ILE HA H 7 4.442 4.862 -0.420 1
1 50 . 10 1 1 A 7 7 ILE C C 7 174.518 174.841 -0.323 1
1 51 . 10 1 1 A 7 7 ILE CA C 7 57.922 59.520 -1.598 1
1 52 . 10 1 1 A 7 7 ILE CB C 7 39.790 41.139 -1.349 1
1 56 . 10 1 1 A 7 7 ILE N N 7 126.114 121.835 4.279 1
1 57 . 10 1 1 A 8 8 THR H H 8 8.238 8.898 -0.660 1
1 58 . 10 1 1 A 8 8 THR HA H 8 4.733 4.752 -0.019 1
1 63 . 10 1 1 A 8 8 THR C C 8 172.672 172.591 0.081 1
1 64 . 10 1 1 A 8 8 THR CA C 8 62.203 61.797 0.406 1
1 65 . 10 1 1 A 8 8 THR CB C 8 70.202 69.487 0.715 1
1 67 . 10 1 1 A 8 8 THR N N 8 123.879 121.859 2.020 1
1 68 . 10 1 1 A 9 9 VAL H H 9 8.717 8.907 -0.190 1
1 69 . 10 1 1 A 9 9 VAL HA H 9 5.165 4.930 0.235 1
1 77 . 10 1 1 A 9 9 VAL C C 9 173.545 174.224 -0.679 1
1 78 . 10 1 1 A 9 9 VAL CA C 9 59.279 59.624 -0.345 1
1 79 . 10 1 1 A 9 9 VAL CB C 9 33.495 34.426 -0.931 1
1 82 . 10 1 1 A 9 9 VAL N N 9 124.808 126.224 -1.416 1
1 83 . 10 1 1 A 10 10 GLN H H 10 8.863 8.164 0.699 1
1 84 . 10 1 1 A 10 10 GLN HA H 10 4.841 4.956 -0.115 1
1 87 . 10 1 1 A 10 10 GLN C C 10 173.774 173.605 0.169 1
1 88 . 10 1 1 A 10 10 GLN CA C 10 53.092 53.236 -0.144 1
1 89 . 10 1 1 A 10 10 GLN CB C 10 32.226 32.706 -0.480 1
1 91 . 10 1 1 A 10 10 GLN N N 10 123.709 125.426 -1.717 1
1 92 . 10 1 1 A 11 11 PHE H H 11 8.252 8.500 -0.248 1
1 93 . 10 1 1 A 11 11 PHE HA H 11 5.661 5.374 0.287 1
1 96 . 10 1 1 A 11 11 PHE C C 11 175.180 174.951 0.229 1
1 97 . 10 1 1 A 11 11 PHE CA C 11 55.799 56.413 -0.614 1
1 98 . 10 1 1 A 11 11 PHE CB C 11 43.197 42.494 0.703 1
1 99 . 10 1 1 A 11 11 PHE N N 11 119.002 116.654 2.348 1
1 100 . 10 1 1 A 12 12 ALA H H 12 8.989 8.204 0.785 1
1 101 . 10 1 1 A 12 12 ALA HA H 12 4.971 5.051 -0.080 1
1 105 . 10 1 1 A 12 12 ALA C C 12 179.413 178.029 1.384 1
1 106 . 10 1 1 A 12 12 ALA CA C 12 51.675 51.155 0.520 1
1 107 . 10 1 1 A 12 12 ALA CB C 12 23.716 22.686 1.030 1
1 108 . 10 1 1 A 12 12 ALA N N 12 123.388 124.257 -0.869 1
1 109 . 10 1 1 A 13 13 GLY H H 13 9.188 8.892 0.296 1
1 110 . 10 1 1 A 13 13 GLY HA2 H 13 4.477 3.883 0.594 1
1 111 . 10 1 1 A 13 13 GLY HA3 H 13 3.937 3.896 0.041 1
1 112 . 10 1 1 A 13 13 GLY C C 13 173.600 175.099 -1.499 1
1 113 . 10 1 1 A 13 13 GLY CA C 13 46.252 47.281 -1.029 1
1 114 . 10 1 1 A 13 13 GLY N N 13 110.134 107.981 2.153 1
1 115 . 10 1 1 A 14 14 GLY H H 14 9.510 8.755 0.755 1
1 116 . 10 1 1 A 14 14 GLY HA2 H 14 4.600 4.228 0.372 1
1 117 . 10 1 1 A 14 14 GLY HA3 H 14 3.453 4.231 -0.778 1
1 118 . 10 1 1 A 14 14 GLY C C 14 177.136 174.850 2.286 1
1 119 . 10 1 1 A 14 14 GLY CA C 14 44.792 45.504 -0.712 1
1 120 . 10 1 1 A 14 14 GLY N N 14 109.966 113.557 -3.591 1
1 121 . 10 1 1 A 15 15 CYS H H 15 7.748 8.092 -0.344 1
1 122 . 10 1 1 A 15 15 CYS HA H 15 3.883 4.739 -0.856 1
1 125 . 10 1 1 A 15 15 CYS C C 15 175.011 176.592 -1.581 1
1 126 . 10 1 1 A 15 15 CYS CA C 15 62.034 59.644 2.390 1
1 127 . 10 1 1 A 15 15 CYS N N 15 121.082 117.585 3.497 1
1 128 . 10 1 1 A 16 16 GLU H H 16 7.837 8.499 -0.662 1
1 129 . 10 1 1 A 16 16 GLU HA H 16 4.009 3.950 0.059 1
1 134 . 10 1 1 A 16 16 GLU C C 16 178.419 177.730 0.689 1
1 135 . 10 1 1 A 16 16 GLU CA C 16 58.599 58.806 -0.207 1
1 136 . 10 1 1 A 16 16 GLU CB C 16 27.745 28.784 -1.039 1
1 138 . 10 1 1 A 16 16 GLU N N 16 120.416 119.828 0.588 1
1 139 . 10 1 1 A 17 17 LEU H H 17 7.626 7.953 -0.327 1
1 140 . 10 1 1 A 17 17 LEU HA H 17 3.927 4.129 -0.202 1
1 150 . 10 1 1 A 17 17 LEU C C 17 178.349 177.823 0.526 1
1 151 . 10 1 1 A 17 17 LEU CA C 17 57.105 56.851 0.254 1
1 152 . 10 1 1 A 17 17 LEU CB C 17 40.474 41.697 -1.223 1
1 156 . 10 1 1 A 17 17 LEU N N 17 122.648 121.019 1.629 1
1 157 . 10 1 1 A 18 18 LEU H H 18 7.488 7.790 -0.302 1
1 158 . 10 1 1 A 18 18 LEU HA H 18 4.143 4.303 -0.160 1
1 168 . 10 1 1 A 18 18 LEU C C 18 175.859 176.590 -0.731 1
1 169 . 10 1 1 A 18 18 LEU CA C 18 55.729 54.601 1.128 1
1 170 . 10 1 1 A 18 18 LEU CB C 18 40.532 41.501 -0.969 1
1 174 . 10 1 1 A 18 18 LEU N N 18 117.565 117.899 -0.334 1
1 175 . 10 1 1 A 19 19 PHE H H 19 7.164 7.777 -0.613 1
1 176 . 10 1 1 A 19 19 PHE HA H 19 4.395 4.812 -0.417 1
1 179 . 10 1 1 A 19 19 PHE C C 19 176.362 175.565 0.797 1
1 180 . 10 1 1 A 19 19 PHE CA C 19 56.373 58.983 -2.610 1
1 181 . 10 1 1 A 19 19 PHE CB C 19 39.143 40.860 -1.717 1
1 182 . 10 1 1 A 19 19 PHE N N 19 117.899 120.140 -2.241 1
1 183 . 10 1 1 A 20 20 ALA H H 20 8.780 7.568 1.212 1
1 184 . 10 1 1 A 20 20 ALA HA H 20 4.087 4.547 -0.460 1
1 188 . 10 1 1 A 20 20 ALA C C 20 176.512 177.475 -0.963 1
1 189 . 10 1 1 A 20 20 ALA CA C 20 53.279 51.480 1.799 1
1 190 . 10 1 1 A 20 20 ALA CB C 20 17.047 19.397 -2.350 1
1 191 . 10 1 1 A 20 20 ALA N N 20 123.417 119.709 3.708 1
1 192 . 10 1 1 A 21 21 LYS H H 21 7.825 8.093 -0.268 1
1 193 . 10 1 1 A 21 21 LYS HA H 21 3.181 3.808 -0.627 1
1 202 . 10 1 1 A 21 21 LYS C C 21 175.295 175.533 -0.238 1
1 203 . 10 1 1 A 21 21 LYS CA C 21 58.666 57.468 1.198 1
1 204 . 10 1 1 A 21 21 LYS CB C 21 29.784 29.351 0.433 1
1 208 . 10 1 1 A 21 21 LYS N N 21 108.448 112.025 -3.577 1
1 209 . 10 1 1 A 22 22 GLN H H 22 7.611 7.976 -0.365 1
1 210 . 10 1 1 A 22 22 GLN HA H 22 4.429 4.445 -0.016 1
1 215 . 10 1 1 A 22 22 GLN C C 22 174.967 176.244 -1.277 1
1 216 . 10 1 1 A 22 22 GLN CA C 22 56.105 55.960 0.145 1
1 217 . 10 1 1 A 22 22 GLN CB C 22 29.548 30.454 -0.906 1
1 219 . 10 1 1 A 22 22 GLN N N 22 120.482 118.243 2.239 1
1 220 . 10 1 1 A 23 23 THR H H 23 8.201 8.686 -0.485 1
1 221 . 10 1 1 A 23 23 THR HA H 23 4.491 4.484 0.007 1
1 226 . 10 1 1 A 23 23 THR C C 23 175.012 175.024 -0.012 1
1 227 . 10 1 1 A 23 23 THR CA C 23 62.436 62.285 0.151 1
1 228 . 10 1 1 A 23 23 THR CB C 23 69.501 69.124 0.377 1
1 229 . 10 1 1 A 23 23 THR N N 23 110.354 113.862 -3.508 1
1 230 . 10 1 1 A 24 24 SER H H 24 7.751 8.066 -0.315 1
1 231 . 10 1 1 A 24 24 SER HA H 24 5.136 4.993 0.143 1
1 234 . 10 1 1 A 24 24 SER C C 24 172.623 172.930 -0.307 1
1 235 . 10 1 1 A 24 24 SER CA C 24 57.192 56.567 0.625 1
1 236 . 10 1 1 A 24 24 SER CB C 24 65.459 66.357 -0.898 1
1 237 . 10 1 1 A 24 24 SER N N 24 114.575 114.652 -0.077 1
1 238 . 10 1 1 A 25 25 LEU H H 25 9.272 9.125 0.147 1
1 239 . 10 1 1 A 25 25 LEU HA H 25 4.531 5.032 -0.501 1
1 249 . 10 1 1 A 25 25 LEU C C 25 174.436 175.801 -1.365 1
1 250 . 10 1 1 A 25 25 LEU CA C 25 53.929 53.773 0.156 1
1 251 . 10 1 1 A 25 25 LEU CB C 25 45.561 46.583 -1.022 1
1 255 . 10 1 1 A 25 25 LEU N N 25 124.288 121.648 2.640 1
1 256 . 10 1 1 A 26 26 GLN H H 26 8.573 8.657 -0.084 1
1 257 . 10 1 1 A 26 26 GLN HA H 26 4.607 5.640 -1.033 1
1 262 . 10 1 1 A 26 26 GLN C C 26 173.250 174.642 -1.392 1
1 263 . 10 1 1 A 26 26 GLN CA C 26 54.207 54.237 -0.030 1
1 264 . 10 1 1 A 26 26 GLN CB C 26 27.813 32.136 -4.323 1
1 266 . 10 1 1 A 26 26 GLN N N 26 122.971 120.031 2.940 1
1 267 . 10 1 1 A 27 27 LEU H H 27 8.753 9.061 -0.308 1
1 268 . 10 1 1 A 27 27 LEU HA H 27 4.414 5.016 -0.602 1
1 272 . 10 1 1 A 27 27 LEU C C 27 175.313 175.345 -0.032 1
1 273 . 10 1 1 A 27 27 LEU CA C 27 53.132 53.345 -0.213 1
1 274 . 10 1 1 A 27 27 LEU CB C 27 40.489 44.617 -4.128 1
1 278 . 10 1 1 A 27 27 LEU N N 27 126.504 125.873 0.631 1
1 279 . 10 1 1 A 28 28 ASP H H 28 8.568 8.772 -0.204 1
1 280 . 10 1 1 A 28 28 ASP HA H 28 4.414 5.305 -0.891 1
1 283 . 10 1 1 A 28 28 ASP C C 28 176.147 175.478 0.669 1
1 284 . 10 1 1 A 28 28 ASP CA C 28 53.407 53.021 0.386 1
1 285 . 10 1 1 A 28 28 ASP CB C 28 40.535 41.912 -1.377 1
1 286 . 10 1 1 A 28 28 ASP N N 28 112.805 123.227 -10.422 1
1 287 . 10 1 1 A 29 29 GLY H H 29 7.770 8.776 -1.006 1
1 288 . 10 1 1 A 29 29 GLY HA2 H 29 3.942 4.339 -0.397 1
1 289 . 10 1 1 A 29 29 GLY HA3 H 29 3.806 4.340 -0.534 1
1 290 . 10 1 1 A 29 29 GLY C C 29 174.455 174.774 -0.319 1
1 291 . 10 1 1 A 29 29 GLY CA C 29 47.297 44.094 3.203 1
1 292 . 10 1 1 A 29 29 GLY N N 29 129.863 112.019 17.844 1
1 293 . 10 1 1 A 30 30 VAL H H 30 7.792 8.595 -0.803 1
1 294 . 10 1 1 A 30 30 VAL HA H 30 4.391 3.881 0.510 1
1 302 . 10 1 1 A 30 30 VAL C C 30 174.315 176.835 -2.520 1
1 303 . 10 1 1 A 30 30 VAL CA C 30 62.180 65.117 -2.937 1
1 304 . 10 1 1 A 30 30 VAL CB C 30 35.931 32.442 3.489 1
1 307 . 10 1 1 A 30 30 VAL N N 30 112.711 122.147 -9.436 1
1 308 . 10 1 1 A 31 31 VAL H H 31 8.748 7.810 0.938 1
1 309 . 10 1 1 A 31 31 VAL C C 31 172.882 174.106 -1.224 1
1 310 . 10 1 1 A 31 31 VAL CA C 31 62.284 59.950 2.334 1
1 311 . 10 1 1 A 31 31 VAL CB C 31 33.804 32.321 1.483 1
1 312 . 10 1 1 A 31 31 VAL N N 31 123.316 119.228 4.088 1
1 313 . 10 1 1 A 32 32 PRO HA H 32 5.038 4.533 0.505 1
1 320 . 10 1 1 A 32 32 PRO C C 32 179.633 177.184 2.449 1
1 321 . 10 1 1 A 32 32 PRO CA C 32 63.073 63.693 -0.620 1
1 322 . 10 1 1 A 32 32 PRO CB C 32 32.421 32.434 -0.013 1
1 325 . 10 1 1 A 33 33 THR H H 33 8.739 7.841 0.898 1
1 326 . 10 1 1 A 33 33 THR HA H 33 3.896 4.484 -0.588 1
1 331 . 10 1 1 A 33 33 THR C C 33 174.735 176.024 -1.289 1
1 332 . 10 1 1 A 33 33 THR CA C 33 64.329 65.995 -1.666 1
1 333 . 10 1 1 A 33 33 THR CB C 33 67.929 68.169 -0.240 1
1 335 . 10 1 1 A 33 33 THR N N 33 120.858 113.558 7.300 1
1 336 . 10 1 1 A 34 34 GLY H H 34 8.303 8.033 0.270 1
1 337 . 10 1 1 A 34 34 GLY HA2 H 34 4.359 3.930 0.429 1
1 338 . 10 1 1 A 34 34 GLY HA3 H 34 3.451 3.933 -0.482 1
1 339 . 10 1 1 A 34 34 GLY C C 34 174.037 173.415 0.622 1
1 340 . 10 1 1 A 34 34 GLY CA C 34 45.067 45.335 -0.268 1
1 341 . 10 1 1 A 34 34 GLY N N 34 114.645 108.624 6.021 1
1 342 . 10 1 1 A 35 35 THR H H 35 7.405 7.401 0.004 1
1 343 . 10 1 1 A 35 35 THR HA H 35 4.073 4.878 -0.805 1
1 348 . 10 1 1 A 35 35 THR C C 35 174.540 173.845 0.695 1
1 349 . 10 1 1 A 35 35 THR CA C 35 65.137 61.126 4.011 1
1 350 . 10 1 1 A 35 35 THR CB C 35 69.484 70.904 -1.420 1
1 352 . 10 1 1 A 35 35 THR N N 35 117.340 114.617 2.723 1
1 353 . 10 1 1 A 36 36 ASN H H 36 8.836 8.422 0.414 1
1 354 . 10 1 1 A 36 36 ASN HA H 36 5.686 5.107 0.579 1
1 357 . 10 1 1 A 36 36 ASN C C 36 176.512 175.873 0.639 1
1 358 . 10 1 1 A 36 36 ASN CA C 36 50.439 50.836 -0.397 1
1 359 . 10 1 1 A 36 36 ASN CB C 36 40.274 40.036 0.238 1
1 360 . 10 1 1 A 36 36 ASN N N 36 127.379 124.757 2.622 1
1 361 . 10 1 1 A 37 37 LEU H H 37 8.045 8.786 -0.741 1
1 362 . 10 1 1 A 37 37 LEU HA H 37 4.142 4.105 0.037 1
1 372 . 10 1 1 A 37 37 LEU C C 37 178.931 178.832 0.099 1
1 373 . 10 1 1 A 37 37 LEU CA C 37 59.274 58.555 0.719 1
1 374 . 10 1 1 A 37 37 LEU CB C 37 42.159 41.344 0.815 1
1 378 . 10 1 1 A 37 37 LEU N N 37 119.164 120.460 -1.296 1
1 379 . 10 1 1 A 38 38 ASN H H 38 7.959 8.417 -0.458 1
1 380 . 10 1 1 A 38 38 ASN HA H 38 4.502 4.496 0.006 1
1 383 . 10 1 1 A 38 38 ASN C C 38 178.691 179.117 -0.426 1
1 384 . 10 1 1 A 38 38 ASN CA C 38 57.080 56.093 0.987 1
1 385 . 10 1 1 A 38 38 ASN CB C 38 38.367 37.877 0.490 1
1 386 . 10 1 1 A 38 38 ASN N N 38 118.522 115.893 2.629 1
1 387 . 10 1 1 A 39 39 GLY H H 39 8.828 8.217 0.611 1
1 388 . 10 1 1 A 39 39 GLY HA2 H 39 4.088 3.721 0.367 1
1 389 . 10 1 1 A 39 39 GLY HA3 H 39 3.911 3.723 0.188 1
1 390 . 10 1 1 A 39 39 GLY C C 39 177.320 175.593 1.727 1
1 391 . 10 1 1 A 39 39 GLY CA C 39 46.879 47.114 -0.235 1
1 392 . 10 1 1 A 39 39 GLY N N 39 109.615 109.377 0.238 1
1 393 . 10 1 1 A 40 40 LEU H H 40 8.829 8.098 0.731 1
1 394 . 10 1 1 A 40 40 LEU HA H 40 4.504 4.171 0.333 1
1 404 . 10 1 1 A 40 40 LEU C C 40 177.788 178.532 -0.744 1
1 405 . 10 1 1 A 40 40 LEU CA C 40 57.770 57.532 0.238 1
1 406 . 10 1 1 A 40 40 LEU CB C 40 41.713 41.807 -0.094 1
1 410 . 10 1 1 A 40 40 LEU N N 40 125.884 123.340 2.544 1
1 411 . 10 1 1 A 41 41 VAL H H 41 8.333 8.450 -0.117 1
1 412 . 10 1 1 A 41 41 VAL HA H 41 3.328 3.850 -0.522 1
1 420 . 10 1 1 A 41 41 VAL C C 41 177.556 177.768 -0.212 1
1 421 . 10 1 1 A 41 41 VAL CA C 41 67.977 65.287 2.690 1
1 422 . 10 1 1 A 41 41 VAL CB C 41 31.080 31.039 0.041 1
1 425 . 10 1 1 A 41 41 VAL N N 41 120.213 116.951 3.262 1
1 426 . 10 1 1 A 42 42 GLN H H 42 7.672 7.917 -0.245 1
1 427 . 10 1 1 A 42 42 GLN HA H 42 3.866 3.971 -0.105 1
1 432 . 10 1 1 A 42 42 GLN C C 42 177.980 178.151 -0.171 1
1 433 . 10 1 1 A 42 42 GLN CA C 42 58.694 58.736 -0.042 1
1 434 . 10 1 1 A 42 42 GLN CB C 42 27.809 28.924 -1.115 1
1 436 . 10 1 1 A 42 42 GLN N N 42 116.386 121.707 -5.321 1
1 437 . 10 1 1 A 43 43 LEU H H 43 8.080 7.489 0.591 1
1 438 . 10 1 1 A 43 43 LEU HA H 43 4.225 4.188 0.037 1
1 448 . 10 1 1 A 43 43 LEU C C 43 179.999 178.535 1.464 1
1 449 . 10 1 1 A 43 43 LEU CA C 43 58.275 57.366 0.909 1
1 450 . 10 1 1 A 43 43 LEU CB C 43 43.046 41.705 1.341 1
1 454 . 10 1 1 A 43 43 LEU N N 43 122.204 120.609 1.595 1
1 455 . 10 1 1 A 44 44 LEU H H 44 8.810 8.081 0.729 1
1 456 . 10 1 1 A 44 44 LEU HA H 44 4.384 4.504 -0.120 1
1 466 . 10 1 1 A 44 44 LEU C C 44 179.311 178.984 0.327 1
1 467 . 10 1 1 A 44 44 LEU CA C 44 58.397 57.337 1.060 1
1 468 . 10 1 1 A 44 44 LEU CB C 44 41.553 42.765 -1.212 1
1 472 . 10 1 1 A 44 44 LEU N N 44 119.371 117.901 1.470 1
1 473 . 10 1 1 A 45 45 LYS H H 45 8.652 8.580 0.072 1
1 474 . 10 1 1 A 45 45 LYS HA H 45 3.678 4.165 -0.487 1
1 483 . 10 1 1 A 45 45 LYS C C 45 177.005 178.993 -1.988 1
1 484 . 10 1 1 A 45 45 LYS CA C 45 60.016 58.946 1.070 1
1 485 . 10 1 1 A 45 45 LYS CB C 45 32.411 32.318 0.093 1
1 489 . 10 1 1 A 45 45 LYS N N 45 120.434 120.064 0.370 1
1 490 . 10 1 1 A 46 46 THR H H 46 8.180 8.335 -0.155 1
1 491 . 10 1 1 A 46 46 THR HA H 46 4.027 4.076 -0.049 1
1 496 . 10 1 1 A 46 46 THR C C 46 176.217 175.318 0.899 1
1 497 . 10 1 1 A 46 46 THR CA C 46 65.173 65.548 -0.375 1
1 498 . 10 1 1 A 46 46 THR CB C 46 69.680 68.641 1.039 1
1 500 . 10 1 1 A 46 46 THR N N 46 109.149 115.514 -6.365 1
1 501 . 10 1 1 A 47 47 ASN H H 47 8.170 7.827 0.343 1
1 502 . 10 1 1 A 47 47 ASN HA H 47 4.785 4.684 0.101 1
1 505 . 10 1 1 A 47 47 ASN C C 47 175.267 175.122 0.145 1
1 506 . 10 1 1 A 47 47 ASN CA C 47 54.213 53.886 0.327 1
1 507 . 10 1 1 A 47 47 ASN CB C 47 40.712 40.272 0.440 1
1 508 . 10 1 1 A 47 47 ASN N N 47 116.045 116.533 -0.488 1
1 509 . 10 1 1 A 48 48 TYR H H 48 8.094 7.807 0.287 1
1 510 . 10 1 1 A 48 48 TYR HA H 48 4.695 4.649 0.046 1
1 513 . 10 1 1 A 48 48 TYR C C 48 175.011 174.186 0.825 1
1 514 . 10 1 1 A 48 48 TYR CA C 48 60.273 56.816 3.457 1
1 515 . 10 1 1 A 48 48 TYR CB C 48 41.189 38.353 2.836 1
1 516 . 10 1 1 A 48 48 TYR N N 48 115.849 116.142 -0.293 1
1 517 . 10 1 1 A 49 49 VAL H H 49 7.769 7.533 0.236 1
1 518 . 10 1 1 A 49 49 VAL HA H 49 3.715 4.399 -0.684 1
1 526 . 10 1 1 A 49 49 VAL C C 49 176.157 175.564 0.593 1
1 527 . 10 1 1 A 49 49 VAL CA C 49 63.454 60.243 3.211 1
1 528 . 10 1 1 A 49 49 VAL CB C 49 31.695 33.452 -1.757 1
1 531 . 10 1 1 A 49 49 VAL N N 49 120.510 121.517 -1.007 1
1 532 . 10 1 1 A 50 50 LYS H H 50 8.334 8.424 -0.090 1
1 533 . 10 1 1 A 50 50 LYS HA H 50 4.242 4.507 -0.265 1
1 542 . 10 1 1 A 50 50 LYS C C 50 176.562 175.342 1.220 1
1 543 . 10 1 1 A 50 50 LYS CA C 50 55.979 55.621 0.358 1
1 544 . 10 1 1 A 50 50 LYS CB C 50 32.822 32.990 -0.168 1
1 548 . 10 1 1 A 50 50 LYS N N 50 125.933 127.715 -1.782 1
1 549 . 10 1 1 A 51 51 GLU H H 51 7.598 7.605 -0.007 1
1 550 . 10 1 1 A 51 51 GLU HA H 51 4.328 4.547 -0.219 1
1 553 . 10 1 1 A 51 51 GLU C C 51 172.975 174.020 -1.045 1
1 554 . 10 1 1 A 51 51 GLU CA C 51 55.074 55.386 -0.312 1
1 555 . 10 1 1 A 51 51 GLU CB C 51 32.633 33.184 -0.551 1
1 557 . 10 1 1 A 51 51 GLU N N 51 117.804 119.336 -1.532 1
1 558 . 10 1 1 A 52 52 ARG H H 52 8.383 8.559 -0.176 1
1 559 . 10 1 1 A 52 52 ARG CA C 52 53.279 53.947 -0.668 1
1 560 . 10 1 1 A 52 52 ARG CB C 52 26.615 31.149 -4.534 1
1 561 . 10 1 1 A 52 52 ARG N N 52 111.793 122.073 -10.280 1
1 562 . 10 1 1 A 53 53 PRO HA H 53 4.029 4.316 -0.287 1
1 569 . 10 1 1 A 53 53 PRO C C 53 177.018 177.466 -0.448 1
1 570 . 10 1 1 A 53 53 PRO CA C 53 65.474 64.621 0.853 1
1 571 . 10 1 1 A 53 53 PRO CB C 53 30.916 31.901 -0.985 1
1 574 . 10 1 1 A 53 53 PRO N N 53 111.793 141.947 -30.154 1
1 575 . 10 1 1 A 54 54 ASP H H 54 8.462 8.558 -0.096 1
1 576 . 10 1 1 A 54 54 ASP HA H 54 4.345 4.632 -0.287 1
1 579 . 10 1 1 A 54 54 ASP C C 54 176.493 177.468 -0.975 1
1 580 . 10 1 1 A 54 54 ASP CA C 54 54.982 54.427 0.555 1
1 581 . 10 1 1 A 54 54 ASP CB C 54 39.451 41.349 -1.898 1
1 582 . 10 1 1 A 54 54 ASP N N 54 113.848 117.056 -3.208 1
1 583 . 10 1 1 A 55 55 LEU H H 55 7.766 7.879 -0.113 1
1 584 . 10 1 1 A 55 55 LEU HA H 55 4.235 4.241 -0.006 1
1 594 . 10 1 1 A 55 55 LEU C C 55 175.873 178.267 -2.394 1
1 595 . 10 1 1 A 55 55 LEU CA C 55 55.305 56.656 -1.351 1
1 596 . 10 1 1 A 55 55 LEU CB C 55 41.271 42.362 -1.091 1
1 600 . 10 1 1 A 55 55 LEU N N 55 117.721 117.126 0.595 1
1 601 . 10 1 1 A 56 56 LEU H H 56 7.630 7.639 -0.009 1
1 602 . 10 1 1 A 56 56 LEU HA H 56 4.552 4.445 0.107 1
1 612 . 10 1 1 A 56 56 LEU C C 56 175.341 177.063 -1.722 1
1 613 . 10 1 1 A 56 56 LEU CA C 56 55.516 56.205 -0.689 1
1 614 . 10 1 1 A 56 56 LEU CB C 56 44.910 42.851 2.059 1
1 618 . 10 1 1 A 56 56 LEU N N 56 118.796 116.457 2.339 1
1 619 . 10 1 1 A 57 57 VAL H H 57 7.206 7.297 -0.091 1
1 620 . 10 1 1 A 57 57 VAL HA H 57 5.048 3.982 1.066 1
1 628 . 10 1 1 A 57 57 VAL C C 57 175.020 175.978 -0.958 1
1 629 . 10 1 1 A 57 57 VAL CA C 57 58.550 62.028 -3.478 1
1 630 . 10 1 1 A 57 57 VAL CB C 57 35.049 32.658 2.391 1
1 633 . 10 1 1 A 57 57 VAL N N 57 106.872 119.910 -13.038 1
1 634 . 10 1 1 A 58 58 ASP H H 58 8.447 9.312 -0.865 1
1 635 . 10 1 1 A 58 58 ASP HA H 58 4.459 4.392 0.067 1
1 638 . 10 1 1 A 58 58 ASP C C 58 177.406 176.975 0.431 1
1 639 . 10 1 1 A 58 58 ASP CA C 58 53.130 56.819 -3.689 1
1 640 . 10 1 1 A 58 58 ASP CB C 58 40.985 41.398 -0.413 1
1 641 . 10 1 1 A 58 58 ASP N N 58 118.741 123.992 -5.251 1
1 642 . 10 1 1 A 59 59 GLN H H 59 8.883 7.876 1.007 1
1 643 . 10 1 1 A 59 59 GLN HA H 59 4.031 4.605 -0.574 1
1 648 . 10 1 1 A 59 59 GLN C C 59 177.499 176.700 0.799 1
1 649 . 10 1 1 A 59 59 GLN CA C 59 59.120 57.430 1.690 1
1 650 . 10 1 1 A 59 59 GLN CB C 59 28.389 31.200 -2.811 1
1 652 . 10 1 1 A 59 59 GLN N N 59 119.603 117.259 2.344 1
1 653 . 10 1 1 A 60 60 THR H H 60 8.060 8.025 0.035 1
1 654 . 10 1 1 A 60 60 THR HA H 60 4.296 4.391 -0.095 1
1 659 . 10 1 1 A 60 60 THR C C 60 176.363 175.300 1.063 1
1 660 . 10 1 1 A 60 60 THR CA C 60 63.358 62.481 0.877 1
1 661 . 10 1 1 A 60 60 THR CB C 60 70.577 69.251 1.326 1
1 663 . 10 1 1 A 60 60 THR N N 60 109.323 108.919 0.404 1
1 664 . 10 1 1 A 61 61 GLY H H 61 8.001 8.036 -0.035 1
1 665 . 10 1 1 A 61 61 GLY HA2 H 61 4.173 3.880 0.293 1
1 666 . 10 1 1 A 61 61 GLY HA3 H 61 3.610 3.882 -0.272 1
1 667 . 10 1 1 A 61 61 GLY C C 61 174.049 174.047 0.002 1
1 668 . 10 1 1 A 61 61 GLY CA C 61 45.301 46.435 -1.134 1
1 669 . 10 1 1 A 61 61 GLY N N 61 109.323 110.808 -1.485 1
1 670 . 10 1 1 A 62 62 GLN H H 62 8.091 8.050 0.041 1
1 671 . 10 1 1 A 62 62 GLN HA H 62 4.172 4.646 -0.474 1
1 674 . 10 1 1 A 62 62 GLN C C 62 175.201 175.263 -0.062 1
1 675 . 10 1 1 A 62 62 GLN CA C 62 56.474 56.960 -0.486 1
1 676 . 10 1 1 A 62 62 GLN CB C 62 30.618 31.739 -1.121 1
1 678 . 10 1 1 A 62 62 GLN N N 62 117.247 119.121 -1.874 1
1 679 . 10 1 1 A 63 63 THR H H 63 7.740 7.676 0.064 1
1 680 . 10 1 1 A 63 63 THR HA H 63 4.624 4.795 -0.171 1
1 685 . 10 1 1 A 63 63 THR C C 63 172.622 174.321 -1.699 1
1 686 . 10 1 1 A 63 63 THR CA C 63 59.718 60.064 -0.346 1
1 687 . 10 1 1 A 63 63 THR CB C 63 70.832 71.300 -0.468 1
1 689 . 10 1 1 A 63 63 THR N N 63 113.860 109.122 4.738 1
1 690 . 10 1 1 A 64 64 LEU H H 64 8.364 8.715 -0.351 1
1 691 . 10 1 1 A 64 64 LEU HA H 64 4.324 4.200 0.124 1
1 701 . 10 1 1 A 64 64 LEU C C 64 176.311 177.552 -1.241 1
1 702 . 10 1 1 A 64 64 LEU CA C 64 55.025 55.435 -0.410 1
1 703 . 10 1 1 A 64 64 LEU CB C 64 43.871 42.151 1.720 1
1 707 . 10 1 1 A 64 64 LEU N N 64 123.689 125.512 -1.823 1
1 708 . 10 1 1 A 65 65 ARG H H 65 8.192 9.238 -1.046 1
1 709 . 10 1 1 A 65 65 ARG C C 65 173.609 176.532 -2.923 1
1 710 . 10 1 1 A 65 65 ARG CA C 65 55.287 54.757 0.530 1
1 711 . 10 1 1 A 65 65 ARG CB C 65 29.681 30.492 -0.811 1
1 712 . 10 1 1 A 65 65 ARG N N 65 126.639 121.439 5.200 1
1 713 . 10 1 1 A 66 66 PRO HA H 66 4.390 4.277 0.113 1
1 720 . 10 1 1 A 66 66 PRO C C 66 177.030 178.947 -1.917 1
1 721 . 10 1 1 A 66 66 PRO CA C 66 63.719 65.471 -1.752 1
1 722 . 10 1 1 A 66 66 PRO CB C 66 31.825 31.787 0.038 1
1 725 . 10 1 1 A 66 66 PRO N N 66 126.639 136.623 -9.984 1
1 726 . 10 1 1 A 67 67 GLY H H 67 8.744 8.547 0.197 1
1 727 . 10 1 1 A 67 67 GLY HA2 H 67 4.232 3.940 0.292 1
1 728 . 10 1 1 A 67 67 GLY HA3 H 67 3.544 3.940 -0.396 1
1 729 . 10 1 1 A 67 67 GLY C C 67 174.319 174.783 -0.464 1
1 730 . 10 1 1 A 67 67 GLY CA C 67 44.818 47.044 -2.226 1
1 731 . 10 1 1 A 68 68 ILE H H 68 7.522 7.768 -0.246 1
1 732 . 10 1 1 A 68 68 ILE HA H 68 4.690 4.460 0.230 1
1 742 . 10 1 1 A 68 68 ILE C C 68 174.703 175.252 -0.549 1
1 743 . 10 1 1 A 68 68 ILE CA C 68 61.047 60.920 0.127 1
1 744 . 10 1 1 A 68 68 ILE CB C 68 38.090 38.691 -0.601 1
1 748 . 10 1 1 A 68 68 ILE N N 68 121.049 120.674 0.375 1
1 749 . 10 1 1 A 69 69 LEU H H 69 9.207 8.632 0.575 1
1 750 . 10 1 1 A 69 69 LEU HA H 69 4.449 4.897 -0.448 1
1 760 . 10 1 1 A 69 69 LEU C C 69 174.991 175.574 -0.583 1
1 761 . 10 1 1 A 69 69 LEU CA C 69 54.106 54.177 -0.071 1
1 762 . 10 1 1 A 69 69 LEU CB C 69 43.588 43.849 -0.261 1
1 766 . 10 1 1 A 69 69 LEU N N 69 131.197 125.900 5.297 1
1 767 . 10 1 1 A 70 70 VAL H H 70 8.149 8.798 -0.649 1
1 768 . 10 1 1 A 70 70 VAL HA H 70 4.955 5.036 -0.081 1
1 776 . 10 1 1 A 70 70 VAL C C 70 175.167 175.300 -0.133 1
1 777 . 10 1 1 A 70 70 VAL CA C 70 59.928 61.363 -1.435 1
1 778 . 10 1 1 A 70 70 VAL CB C 70 33.239 32.891 0.348 1
1 781 . 10 1 1 A 70 70 VAL N N 70 121.953 124.185 -2.232 1
1 782 . 10 1 1 A 71 71 LEU H H 71 8.881 8.261 0.620 1
1 783 . 10 1 1 A 71 71 LEU HA H 71 4.922 5.082 -0.160 1
1 793 . 10 1 1 A 71 71 LEU C C 71 176.487 175.200 1.287 1
1 794 . 10 1 1 A 71 71 LEU CA C 71 52.627 53.269 -0.642 1
1 795 . 10 1 1 A 71 71 LEU CB C 71 44.487 45.887 -1.400 1
1 799 . 10 1 1 A 71 71 LEU N N 71 126.071 127.288 -1.217 1
1 800 . 10 1 1 A 72 72 VAL H H 72 9.048 8.989 0.059 1
1 801 . 10 1 1 A 72 72 VAL HA H 72 4.351 4.871 -0.520 1
1 809 . 10 1 1 A 72 72 VAL C C 72 176.078 175.960 0.118 1
1 810 . 10 1 1 A 72 72 VAL CA C 72 60.886 60.151 0.735 1
1 811 . 10 1 1 A 72 72 VAL CB C 72 33.141 33.302 -0.161 1
1 814 . 10 1 1 A 72 72 VAL N N 72 120.969 119.854 1.115 1
1 815 . 10 1 1 A 73 73 ASN H H 73 9.630 8.733 0.897 1
1 816 . 10 1 1 A 73 73 ASN HA H 73 4.335 4.264 0.071 1
1 821 . 10 1 1 A 73 73 ASN C C 73 175.496 174.749 0.747 1
1 822 . 10 1 1 A 73 73 ASN CA C 73 54.736 55.289 -0.553 1
1 823 . 10 1 1 A 73 73 ASN CB C 73 36.825 37.429 -0.604 1
1 824 . 10 1 1 A 73 73 ASN N N 73 129.082 120.610 8.472 1
1 825 . 10 1 1 A 74 74 SER H H 74 9.308 8.382 0.926 1
1 826 . 10 1 1 A 74 74 SER C C 74 172.584 173.293 -0.709 1
1 827 . 10 1 1 A 74 74 SER N N 74 106.084 113.619 -7.535 1
1 828 . 10 1 1 A 75 75 CYS H H 75 7.845 7.536 0.309 1
1 829 . 10 1 1 A 75 75 CYS C C 75 176.045 172.897 3.148 1
1 830 . 10 1 1 A 75 75 CYS CA C 75 57.152 58.272 -1.120 1
1 831 . 10 1 1 A 75 75 CYS CB C 75 29.101 31.557 -2.456 1
1 832 . 10 1 1 A 75 75 CYS N N 75 120.460 120.964 -0.504 1
1 833 . 10 1 1 A 76 76 ASP H H 76 8.766 8.618 0.148 1
1 834 . 10 1 1 A 76 76 ASP HA H 76 4.295 4.597 -0.302 1
1 837 . 10 1 1 A 76 76 ASP C C 76 177.713 177.640 0.073 1
1 838 . 10 1 1 A 76 76 ASP CA C 76 55.721 54.978 0.743 1
1 839 . 10 1 1 A 76 76 ASP CB C 76 41.513 40.850 0.663 1
1 840 . 10 1 1 A 76 76 ASP N N 76 126.661 124.411 2.250 1
1 841 . 10 1 1 A 77 77 ALA H H 77 8.555 9.168 -0.613 1
1 842 . 10 1 1 A 77 77 ALA HA H 77 3.688 3.978 -0.290 1
1 846 . 10 1 1 A 77 77 ALA C C 77 180.149 179.090 1.059 1
1 847 . 10 1 1 A 77 77 ALA CA C 77 54.334 54.459 -0.125 1
1 848 . 10 1 1 A 77 77 ALA CB C 77 18.453 18.207 0.246 1
1 849 . 10 1 1 A 77 77 ALA N N 77 128.302 125.754 2.548 1
1 850 . 10 1 1 A 78 78 GLU H H 78 9.034 7.868 1.166 1
1 851 . 10 1 1 A 78 78 GLU HA H 78 3.763 4.199 -0.436 1
1 856 . 10 1 1 A 78 78 GLU C C 78 179.359 179.185 0.174 1
1 857 . 10 1 1 A 78 78 GLU CA C 78 59.569 58.791 0.778 1
1 858 . 10 1 1 A 78 78 GLU CB C 78 29.511 29.204 0.307 1
1 860 . 10 1 1 A 78 78 GLU N N 78 117.499 117.993 -0.494 1
1 861 . 10 1 1 A 79 79 VAL H H 79 7.753 7.933 -0.180 1
1 862 . 10 1 1 A 79 79 VAL HA H 79 3.927 3.729 0.198 1
1 870 . 10 1 1 A 79 79 VAL C C 79 177.408 177.277 0.131 1
1 871 . 10 1 1 A 79 79 VAL CA C 79 64.439 66.058 -1.619 1
1 872 . 10 1 1 A 79 79 VAL CB C 79 31.904 31.762 0.142 1
1 875 . 10 1 1 A 79 79 VAL N N 79 115.536 121.071 -5.535 1
1 876 . 10 1 1 A 80 80 VAL H H 80 7.123 7.668 -0.545 1
1 877 . 10 1 1 A 80 80 VAL HA H 80 4.443 4.139 0.304 1
1 885 . 10 1 1 A 80 80 VAL C C 80 175.020 177.192 -2.172 1
1 886 . 10 1 1 A 80 80 VAL CA C 80 60.286 63.429 -3.143 1
1 887 . 10 1 1 A 80 80 VAL CB C 80 30.948 32.699 -1.751 1
1 890 . 10 1 1 A 80 80 VAL N N 80 109.738 116.172 -6.434 1
1 891 . 10 1 1 A 81 81 GLY H H 81 7.210 7.692 -0.482 1
1 892 . 10 1 1 A 81 81 GLY HA2 H 81 4.511 4.125 0.386 1
1 893 . 10 1 1 A 81 81 GLY HA3 H 81 3.664 4.152 -0.488 1
1 894 . 10 1 1 A 81 81 GLY C C 81 175.262 175.771 -0.509 1
1 895 . 10 1 1 A 81 81 GLY CA C 81 44.964 45.851 -0.887 1
1 896 . 10 1 1 A 81 81 GLY N N 81 106.697 109.570 -2.873 1
1 897 . 10 1 1 A 82 82 GLY H H 82 8.673 8.325 0.348 1
1 898 . 10 1 1 A 82 82 GLY HA2 H 82 4.022 4.061 -0.039 1
1 899 . 10 1 1 A 82 82 GLY HA3 H 82 3.150 4.065 -0.915 1
1 900 . 10 1 1 A 82 82 GLY C C 82 174.547 174.086 0.461 1
1 901 . 10 1 1 A 82 82 GLY CA C 82 45.151 45.598 -0.447 1
1 902 . 10 1 1 A 82 82 GLY N N 82 111.931 108.104 3.827 1
1 903 . 10 1 1 A 83 83 MET H H 83 8.841 8.074 0.767 1
1 904 . 10 1 1 A 83 83 MET HA H 83 4.582 4.702 -0.120 1
1 909 . 10 1 1 A 83 83 MET C C 83 176.001 175.513 0.488 1
1 910 . 10 1 1 A 83 83 MET CA C 83 55.737 54.418 1.319 1
1 911 . 10 1 1 A 83 83 MET CB C 83 30.273 33.825 -3.552 1
1 913 . 10 1 1 A 83 83 MET N N 83 119.840 116.491 3.349 1
1 914 . 10 1 1 A 84 84 ASP H H 84 7.395 8.193 -0.798 1
1 915 . 10 1 1 A 84 84 ASP HA H 84 4.695 4.912 -0.217 1
1 918 . 10 1 1 A 84 84 ASP C C 84 176.694 175.274 1.420 1
1 919 . 10 1 1 A 84 84 ASP CA C 84 54.300 53.036 1.264 1
1 920 . 10 1 1 A 84 84 ASP CB C 84 41.551 41.425 0.126 1
1 921 . 10 1 1 A 84 84 ASP N N 84 114.478 120.574 -6.096 1
1 922 . 10 1 1 A 85 85 TYR H H 85 7.930 7.907 0.023 1
1 923 . 10 1 1 A 85 85 TYR HA H 85 4.148 4.733 -0.585 1
1 926 . 10 1 1 A 85 85 TYR C C 85 173.845 174.843 -0.998 1
1 927 . 10 1 1 A 85 85 TYR CA C 85 59.520 56.415 3.105 1
1 928 . 10 1 1 A 85 85 TYR CB C 85 38.105 37.982 0.123 1
1 929 . 10 1 1 A 85 85 TYR N N 85 123.769 121.890 1.879 1
1 930 . 10 1 1 A 86 86 VAL H H 86 7.755 8.050 -0.295 1
1 931 . 10 1 1 A 86 86 VAL HA H 86 3.402 4.225 -0.823 1
1 939 . 10 1 1 A 86 86 VAL C C 86 173.896 175.916 -2.020 1
1 940 . 10 1 1 A 86 86 VAL CA C 86 62.779 62.160 0.619 1
1 941 . 10 1 1 A 86 86 VAL CB C 86 31.843 32.739 -0.896 1
1 944 . 10 1 1 A 86 86 VAL N N 86 130.130 123.595 6.535 1
1 945 . 10 1 1 A 87 87 LEU H H 87 7.069 8.421 -1.352 1
1 946 . 10 1 1 A 87 87 LEU HA H 87 3.833 5.035 -1.202 1
1 956 . 10 1 1 A 87 87 LEU C C 87 176.432 176.343 0.089 1
1 957 . 10 1 1 A 87 87 LEU CA C 87 55.977 53.585 2.392 1
1 958 . 10 1 1 A 87 87 LEU CB C 87 42.126 43.700 -1.574 1
1 962 . 10 1 1 A 87 87 LEU N N 87 121.577 126.153 -4.576 1
1 963 . 10 1 1 A 88 88 ASN H H 88 8.705 8.586 0.119 1
1 964 . 10 1 1 A 88 88 ASN HA H 88 4.717 4.939 -0.222 1
1 967 . 10 1 1 A 88 88 ASN C C 88 173.156 174.337 -1.181 1
1 968 . 10 1 1 A 88 88 ASN CA C 88 51.471 52.122 -0.651 1
1 969 . 10 1 1 A 88 88 ASN CB C 88 41.622 38.791 2.831 1
1 970 . 10 1 1 A 88 88 ASN N N 88 120.561 116.837 3.724 1
1 971 . 10 1 1 A 89 89 ASP H H 89 8.482 8.712 -0.230 1
1 972 . 10 1 1 A 89 89 ASP HA H 89 3.937 4.422 -0.485 1
1 975 . 10 1 1 A 89 89 ASP C C 89 178.751 176.212 2.539 1
1 976 . 10 1 1 A 89 89 ASP CA C 89 56.268 55.286 0.982 1
1 977 . 10 1 1 A 89 89 ASP CB C 89 40.380 39.552 0.828 1
1 978 . 10 1 1 A 89 89 ASP N N 89 122.084 115.214 6.870 1
1 979 . 10 1 1 A 90 90 GLY H H 90 9.334 8.007 1.327 1
1 980 . 10 1 1 A 90 90 GLY HA2 H 90 4.314 3.313 1.001 1
1 981 . 10 1 1 A 90 90 GLY HA3 H 90 3.619 3.779 -0.160 1
1 982 . 10 1 1 A 90 90 GLY C C 90 174.907 173.752 1.155 1
1 983 . 10 1 1 A 90 90 GLY CA C 90 45.076 44.894 0.182 1
1 984 . 10 1 1 A 90 90 GLY N N 90 117.218 108.150 9.068 1
1 985 . 10 1 1 A 91 91 ASP H H 91 7.987 7.924 0.063 1
1 986 . 10 1 1 A 91 91 ASP HA H 91 4.745 4.906 -0.161 1
1 989 . 10 1 1 A 91 91 ASP C C 91 175.436 175.198 0.238 1
1 990 . 10 1 1 A 91 91 ASP CA C 91 55.954 53.540 2.414 1
1 991 . 10 1 1 A 91 91 ASP CB C 91 41.876 42.415 -0.539 1
1 992 . 10 1 1 A 91 91 ASP N N 91 122.336 121.225 1.111 1
1 993 . 10 1 1 A 92 92 THR H H 92 8.227 8.640 -0.413 1
1 994 . 10 1 1 A 92 92 THR HA H 92 5.093 5.260 -0.167 1
1 999 . 10 1 1 A 92 92 THR C C 92 173.702 173.054 0.648 1
1 1000 . 10 1 1 A 92 92 THR CA C 92 61.477 61.775 -0.298 1
1 1001 . 10 1 1 A 92 92 THR CB C 92 70.032 70.610 -0.578 1
1 1003 . 10 1 1 A 92 92 THR N N 92 115.456 119.019 -3.563 1
1 1004 . 10 1 1 A 93 93 VAL H H 93 9.039 9.168 -0.129 1
1 1005 . 10 1 1 A 93 93 VAL HA H 93 4.731 4.696 0.035 1
1 1013 . 10 1 1 A 93 93 VAL C C 93 173.391 173.034 0.357 1
1 1014 . 10 1 1 A 93 93 VAL CA C 93 59.984 59.888 0.096 1
1 1015 . 10 1 1 A 93 93 VAL CB C 93 33.978 34.893 -0.915 1
1 1018 . 10 1 1 A 93 93 VAL N N 93 129.109 125.046 4.063 1
1 1019 . 10 1 1 A 94 94 GLU H H 94 9.012 8.484 0.528 1
1 1020 . 10 1 1 A 94 94 GLU HA H 94 4.941 4.475 0.466 1
1 1025 . 10 1 1 A 94 94 GLU C C 94 173.669 175.084 -1.415 1
1 1026 . 10 1 1 A 94 94 GLU CA C 94 53.577 54.171 -0.594 1
1 1027 . 10 1 1 A 94 94 GLU CB C 94 32.853 32.931 -0.078 1
1 1029 . 10 1 1 A 94 94 GLU N N 94 126.881 127.115 -0.234 1
1 1030 . 10 1 1 A 95 95 PHE H H 95 9.012 8.151 0.861 1
1 1031 . 10 1 1 A 95 95 PHE HA H 95 4.941 5.082 -0.141 1
1 1034 . 10 1 1 A 95 95 PHE C C 95 174.687 174.617 0.070 1
1 1035 . 10 1 1 A 95 95 PHE CA C 95 56.843 56.546 0.297 1
1 1036 . 10 1 1 A 95 95 PHE CB C 95 40.889 40.926 -0.037 1
1 1037 . 10 1 1 A 95 95 PHE N N 95 122.718 119.075 3.643 1
1 1038 . 10 1 1 A 96 96 ILE H H 96 9.292 8.817 0.475 1
1 1039 . 10 1 1 A 96 96 ILE HA H 96 4.573 5.254 -0.681 1
1 1049 . 10 1 1 A 96 96 ILE C C 96 175.897 174.775 1.122 1
1 1050 . 10 1 1 A 96 96 ILE CA C 96 59.748 60.202 -0.454 1
1 1051 . 10 1 1 A 96 96 ILE CB C 96 40.938 39.770 1.168 1
1 1055 . 10 1 1 A 96 96 ILE N N 96 123.112 124.802 -1.690 1
1 1056 . 10 1 1 A 97 97 SER H H 97 8.245 9.065 -0.820 1
1 1057 . 10 1 1 A 97 97 SER HA H 97 4.800 4.821 -0.021 1
1 1060 . 10 1 1 A 97 97 SER C C 97 175.130 174.784 0.346 1
1 1061 . 10 1 1 A 97 97 SER CA C 97 58.154 58.522 -0.368 1
1 1062 . 10 1 1 A 97 97 SER CB C 97 63.137 63.971 -0.834 1
1 1063 . 10 1 1 A 97 97 SER N N 97 121.343 123.059 -1.716 1
1 1064 . 10 1 1 A 98 98 THR H H 98 8.181 8.902 -0.721 1
1 1065 . 10 1 1 A 98 98 THR HA H 98 4.549 4.586 -0.037 1
1 1070 . 10 1 1 A 98 98 THR C C 98 174.729 174.407 0.322 1
1 1071 . 10 1 1 A 98 98 THR CA C 98 61.603 62.418 -0.815 1
1 1072 . 10 1 1 A 98 98 THR CB C 98 69.890 70.190 -0.300 1
1 1074 . 10 1 1 A 98 98 THR N N 98 116.451 116.757 -0.306 1
1 1075 . 10 1 1 A 99 99 LEU H H 99 8.033 7.844 0.189 1
1 1076 . 10 1 1 A 99 99 LEU HA H 99 4.234 4.459 -0.225 1
1 1086 . 10 1 1 A 99 99 LEU C C 99 177.349 176.157 1.192 1
1 1087 . 10 1 1 A 99 99 LEU CA C 99 55.517 54.678 0.839 1
1 1088 . 10 1 1 A 99 99 LEU CB C 99 41.996 42.953 -0.957 1
1 1092 . 10 1 1 A 99 99 LEU N N 99 122.869 122.493 0.376 1
1 1093 . 10 1 1 A 100 100 HIS H H 100 8.558 8.971 -0.413 1
1 1094 . 10 1 1 A 100 100 HIS HA H 100 4.460 4.877 -0.417 1
1 1097 . 10 1 1 A 100 100 HIS C C 100 175.718 175.699 0.019 1
1 1098 . 10 1 1 A 100 100 HIS CA C 100 56.096 55.517 0.579 1
1 1099 . 10 1 1 A 100 100 HIS CB C 100 29.709 31.048 -1.339 1
1 1100 . 10 1 1 A 100 100 HIS N N 100 120.437 121.913 -1.476 1
1 1101 . 10 1 1 A 101 101 GLY H H 101 8.477 7.285 1.192 1
1 1102 . 10 1 1 A 101 101 GLY HA2 H 101 3.888 3.709 0.179 1
1 1103 . 10 1 1 A 101 101 GLY HA3 H 101 3.888 3.882 0.006 1
1 1104 . 10 1 1 A 101 101 GLY C C 101 174.614 172.687 1.927 1
1 1105 . 10 1 1 A 101 101 GLY CA C 101 45.529 44.030 1.499 1
1 1106 . 10 1 1 A 101 101 GLY N N 101 110.340 107.955 2.385 1
1 7 . 11 1 1 A 2 2 SER H H 2 8.206 8.363 -0.157 1
1 8 . 11 1 1 A 2 2 SER N N 2 126.498 114.372 12.126 1
1 9 . 11 1 1 A 3 3 ASN HA H 3 5.166 4.955 0.211 1
1 12 . 11 1 1 A 3 3 ASN C C 3 175.527 174.694 0.833 1
1 13 . 11 1 1 A 3 3 ASN CA C 3 51.466 52.130 -0.664 1
1 14 . 11 1 1 A 3 3 ASN CB C 3 39.931 38.448 1.483 1
1 15 . 11 1 1 A 4 4 HIS H H 4 8.859 7.620 1.239 1
1 16 . 11 1 1 A 4 4 HIS HA H 4 4.165 5.298 -1.133 1
1 19 . 11 1 1 A 4 4 HIS C C 4 175.897 172.099 3.798 1
1 20 . 11 1 1 A 4 4 HIS CA C 4 56.644 53.293 3.351 1
1 21 . 11 1 1 A 4 4 HIS CB C 4 30.122 32.696 -2.574 1
1 22 . 11 1 1 A 4 4 HIS N N 4 120.656 114.910 5.746 1
1 23 . 11 1 1 A 5 5 ASN H H 5 8.263 8.623 -0.360 1
1 24 . 11 1 1 A 5 5 ASN HA H 5 4.274 5.168 -0.894 1
1 27 . 11 1 1 A 5 5 ASN C C 5 177.939 174.643 3.296 1
1 28 . 11 1 1 A 5 5 ASN CA C 5 57.261 52.809 4.452 1
1 29 . 11 1 1 A 5 5 ASN CB C 5 38.232 39.630 -1.398 1
1 30 . 11 1 1 A 5 5 ASN N N 5 121.699 117.574 4.125 1
1 31 . 11 1 1 A 6 6 HIS H H 6 9.675 8.850 0.825 1
1 32 . 11 1 1 A 6 6 HIS HA H 6 5.261 5.035 0.226 1
1 35 . 11 1 1 A 6 6 HIS C C 6 171.876 173.767 -1.891 1
1 36 . 11 1 1 A 6 6 HIS CA C 6 56.016 54.727 1.289 1
1 37 . 11 1 1 A 6 6 HIS CB C 6 31.324 32.327 -1.003 1
1 38 . 11 1 1 A 6 6 HIS N N 6 117.245 118.204 -0.959 1
1 39 . 11 1 1 A 7 7 ILE H H 7 7.753 8.801 -1.048 1
1 40 . 11 1 1 A 7 7 ILE HA H 7 4.442 4.756 -0.314 1
1 50 . 11 1 1 A 7 7 ILE C C 7 174.518 175.291 -0.773 1
1 51 . 11 1 1 A 7 7 ILE CA C 7 57.922 60.303 -2.381 1
1 52 . 11 1 1 A 7 7 ILE CB C 7 39.790 38.526 1.264 1
1 56 . 11 1 1 A 7 7 ILE N N 7 126.114 126.021 0.093 1
1 57 . 11 1 1 A 8 8 THR H H 8 8.238 8.717 -0.479 1
1 58 . 11 1 1 A 8 8 THR HA H 8 4.733 4.570 0.163 1
1 63 . 11 1 1 A 8 8 THR C C 8 172.672 172.832 -0.160 1
1 64 . 11 1 1 A 8 8 THR CA C 8 62.203 62.255 -0.052 1
1 65 . 11 1 1 A 8 8 THR CB C 8 70.202 68.220 1.982 1
1 67 . 11 1 1 A 8 8 THR N N 8 123.879 123.266 0.613 1
1 68 . 11 1 1 A 9 9 VAL H H 9 8.717 8.649 0.068 1
1 69 . 11 1 1 A 9 9 VAL HA H 9 5.165 4.767 0.398 1
1 77 . 11 1 1 A 9 9 VAL C C 9 173.545 174.523 -0.978 1
1 78 . 11 1 1 A 9 9 VAL CA C 9 59.279 59.866 -0.587 1
1 79 . 11 1 1 A 9 9 VAL CB C 9 33.495 33.516 -0.021 1
1 82 . 11 1 1 A 9 9 VAL N N 9 124.808 127.533 -2.725 1
1 83 . 11 1 1 A 10 10 GLN H H 10 8.863 8.225 0.638 1
1 84 . 11 1 1 A 10 10 GLN HA H 10 4.841 4.897 -0.056 1
1 87 . 11 1 1 A 10 10 GLN C C 10 173.774 173.377 0.397 1
1 88 . 11 1 1 A 10 10 GLN CA C 10 53.092 53.536 -0.444 1
1 89 . 11 1 1 A 10 10 GLN CB C 10 32.226 32.414 -0.188 1
1 91 . 11 1 1 A 10 10 GLN N N 10 123.709 125.732 -2.023 1
1 92 . 11 1 1 A 11 11 PHE H H 11 8.252 8.563 -0.311 1
1 93 . 11 1 1 A 11 11 PHE HA H 11 5.661 5.247 0.414 1
1 96 . 11 1 1 A 11 11 PHE C C 11 175.180 175.702 -0.522 1
1 97 . 11 1 1 A 11 11 PHE CA C 11 55.799 56.677 -0.878 1
1 98 . 11 1 1 A 11 11 PHE CB C 11 43.197 42.275 0.922 1
1 99 . 11 1 1 A 11 11 PHE N N 11 119.002 118.485 0.517 1
1 100 . 11 1 1 A 12 12 ALA H H 12 8.989 8.687 0.302 1
1 101 . 11 1 1 A 12 12 ALA HA H 12 4.971 4.600 0.371 1
1 105 . 11 1 1 A 12 12 ALA C C 12 179.413 177.861 1.552 1
1 106 . 11 1 1 A 12 12 ALA CA C 12 51.675 51.410 0.265 1
1 107 . 11 1 1 A 12 12 ALA CB C 12 23.716 20.270 3.446 1
1 108 . 11 1 1 A 12 12 ALA N N 12 123.388 125.108 -1.720 1
1 109 . 11 1 1 A 13 13 GLY H H 13 9.188 8.643 0.545 1
1 110 . 11 1 1 A 13 13 GLY HA2 H 13 4.477 3.814 0.663 1
1 111 . 11 1 1 A 13 13 GLY HA3 H 13 3.937 3.820 0.117 1
1 112 . 11 1 1 A 13 13 GLY C C 13 173.600 175.235 -1.635 1
1 113 . 11 1 1 A 13 13 GLY CA C 13 46.252 46.961 -0.709 1
1 114 . 11 1 1 A 13 13 GLY N N 13 110.134 106.761 3.373 1
1 115 . 11 1 1 A 14 14 GLY H H 14 9.510 8.577 0.933 1
1 116 . 11 1 1 A 14 14 GLY HA2 H 14 4.600 4.047 0.553 1
1 117 . 11 1 1 A 14 14 GLY HA3 H 14 3.453 4.072 -0.619 1
1 118 . 11 1 1 A 14 14 GLY C C 14 177.136 175.135 2.001 1
1 119 . 11 1 1 A 14 14 GLY CA C 14 44.792 45.373 -0.581 1
1 120 . 11 1 1 A 14 14 GLY N N 14 109.966 113.964 -3.998 1
1 121 . 11 1 1 A 15 15 CYS H H 15 7.748 8.011 -0.263 1
1 122 . 11 1 1 A 15 15 CYS HA H 15 3.883 4.604 -0.721 1
1 125 . 11 1 1 A 15 15 CYS C C 15 175.011 174.952 0.059 1
1 126 . 11 1 1 A 15 15 CYS CA C 15 62.034 59.011 3.023 1
1 127 . 11 1 1 A 15 15 CYS N N 15 121.082 119.814 1.268 1
1 128 . 11 1 1 A 16 16 GLU H H 16 7.837 8.231 -0.394 1
1 129 . 11 1 1 A 16 16 GLU HA H 16 4.009 4.116 -0.107 1
1 134 . 11 1 1 A 16 16 GLU C C 16 178.419 178.388 0.031 1
1 135 . 11 1 1 A 16 16 GLU CA C 16 58.599 58.531 0.068 1
1 136 . 11 1 1 A 16 16 GLU CB C 16 27.745 29.852 -2.107 1
1 138 . 11 1 1 A 16 16 GLU N N 16 120.416 121.608 -1.192 1
1 139 . 11 1 1 A 17 17 LEU H H 17 7.626 8.077 -0.451 1
1 140 . 11 1 1 A 17 17 LEU HA H 17 3.927 4.209 -0.282 1
1 150 . 11 1 1 A 17 17 LEU C C 17 178.349 177.459 0.890 1
1 151 . 11 1 1 A 17 17 LEU CA C 17 57.105 56.344 0.761 1
1 152 . 11 1 1 A 17 17 LEU CB C 17 40.474 41.522 -1.048 1
1 156 . 11 1 1 A 17 17 LEU N N 17 122.648 120.627 2.021 1
1 157 . 11 1 1 A 18 18 LEU H H 18 7.488 7.465 0.023 1
1 158 . 11 1 1 A 18 18 LEU HA H 18 4.143 4.379 -0.236 1
1 168 . 11 1 1 A 18 18 LEU C C 18 175.859 176.564 -0.705 1
1 169 . 11 1 1 A 18 18 LEU CA C 18 55.729 54.320 1.409 1
1 170 . 11 1 1 A 18 18 LEU CB C 18 40.532 41.495 -0.963 1
1 174 . 11 1 1 A 18 18 LEU N N 18 117.565 117.953 -0.388 1
1 175 . 11 1 1 A 19 19 PHE H H 19 7.164 7.645 -0.481 1
1 176 . 11 1 1 A 19 19 PHE HA H 19 4.395 4.817 -0.422 1
1 179 . 11 1 1 A 19 19 PHE C C 19 176.362 175.494 0.868 1
1 180 . 11 1 1 A 19 19 PHE CA C 19 56.373 58.900 -2.527 1
1 181 . 11 1 1 A 19 19 PHE CB C 19 39.143 40.966 -1.823 1
1 182 . 11 1 1 A 19 19 PHE N N 19 117.899 120.271 -2.372 1
1 183 . 11 1 1 A 20 20 ALA H H 20 8.780 7.499 1.281 1
1 184 . 11 1 1 A 20 20 ALA HA H 20 4.087 4.506 -0.419 1
1 188 . 11 1 1 A 20 20 ALA C C 20 176.512 177.494 -0.982 1
1 189 . 11 1 1 A 20 20 ALA CA C 20 53.279 51.447 1.832 1
1 190 . 11 1 1 A 20 20 ALA CB C 20 17.047 19.291 -2.244 1
1 191 . 11 1 1 A 20 20 ALA N N 20 123.417 119.564 3.853 1
1 192 . 11 1 1 A 21 21 LYS H H 21 7.825 7.992 -0.167 1
1 193 . 11 1 1 A 21 21 LYS HA H 21 3.181 3.836 -0.655 1
1 202 . 11 1 1 A 21 21 LYS C C 21 175.295 175.508 -0.213 1
1 203 . 11 1 1 A 21 21 LYS CA C 21 58.666 57.455 1.211 1
1 204 . 11 1 1 A 21 21 LYS CB C 21 29.784 29.668 0.116 1
1 208 . 11 1 1 A 21 21 LYS N N 21 108.448 112.483 -4.035 1
1 209 . 11 1 1 A 22 22 GLN H H 22 7.611 8.088 -0.477 1
1 210 . 11 1 1 A 22 22 GLN HA H 22 4.429 4.519 -0.090 1
1 215 . 11 1 1 A 22 22 GLN C C 22 174.967 176.249 -1.282 1
1 216 . 11 1 1 A 22 22 GLN CA C 22 56.105 55.924 0.181 1
1 217 . 11 1 1 A 22 22 GLN CB C 22 29.548 30.631 -1.083 1
1 219 . 11 1 1 A 22 22 GLN N N 22 120.482 118.084 2.398 1
1 220 . 11 1 1 A 23 23 THR H H 23 8.201 8.832 -0.631 1
1 221 . 11 1 1 A 23 23 THR HA H 23 4.491 4.531 -0.040 1
1 226 . 11 1 1 A 23 23 THR C C 23 175.012 174.914 0.098 1
1 227 . 11 1 1 A 23 23 THR CA C 23 62.436 62.214 0.222 1
1 228 . 11 1 1 A 23 23 THR CB C 23 69.501 69.395 0.106 1
1 229 . 11 1 1 A 23 23 THR N N 23 110.354 113.215 -2.861 1
1 230 . 11 1 1 A 24 24 SER H H 24 7.751 8.040 -0.289 1
1 231 . 11 1 1 A 24 24 SER HA H 24 5.136 5.037 0.099 1
1 234 . 11 1 1 A 24 24 SER C C 24 172.623 173.009 -0.386 1
1 235 . 11 1 1 A 24 24 SER CA C 24 57.192 56.838 0.354 1
1 236 . 11 1 1 A 24 24 SER CB C 24 65.459 66.711 -1.252 1
1 237 . 11 1 1 A 24 24 SER N N 24 114.575 114.118 0.457 1
1 238 . 11 1 1 A 25 25 LEU H H 25 9.272 8.572 0.700 1
1 239 . 11 1 1 A 25 25 LEU HA H 25 4.531 5.025 -0.494 1
1 249 . 11 1 1 A 25 25 LEU C C 25 174.436 175.484 -1.048 1
1 250 . 11 1 1 A 25 25 LEU CA C 25 53.929 53.684 0.245 1
1 251 . 11 1 1 A 25 25 LEU CB C 25 45.561 46.540 -0.979 1
1 255 . 11 1 1 A 25 25 LEU N N 25 124.288 121.238 3.050 1
1 256 . 11 1 1 A 26 26 GLN H H 26 8.573 8.625 -0.052 1
1 257 . 11 1 1 A 26 26 GLN HA H 26 4.607 5.412 -0.805 1
1 262 . 11 1 1 A 26 26 GLN C C 26 173.250 174.661 -1.411 1
1 263 . 11 1 1 A 26 26 GLN CA C 26 54.207 54.436 -0.229 1
1 264 . 11 1 1 A 26 26 GLN CB C 26 27.813 30.237 -2.424 1
1 266 . 11 1 1 A 26 26 GLN N N 26 122.971 120.267 2.704 1
1 267 . 11 1 1 A 27 27 LEU H H 27 8.753 8.404 0.349 1
1 268 . 11 1 1 A 27 27 LEU HA H 27 4.414 4.560 -0.146 1
1 272 . 11 1 1 A 27 27 LEU C C 27 175.313 176.130 -0.817 1
1 273 . 11 1 1 A 27 27 LEU CA C 27 53.132 54.348 -1.216 1
1 274 . 11 1 1 A 27 27 LEU CB C 27 40.489 42.398 -1.909 1
1 278 . 11 1 1 A 27 27 LEU N N 27 126.504 126.578 -0.074 1
1 279 . 11 1 1 A 28 28 ASP H H 28 8.568 8.829 -0.261 1
1 280 . 11 1 1 A 28 28 ASP HA H 28 4.414 5.062 -0.648 1
1 283 . 11 1 1 A 28 28 ASP C C 28 176.147 176.167 -0.020 1
1 284 . 11 1 1 A 28 28 ASP CA C 28 53.407 52.945 0.462 1
1 285 . 11 1 1 A 28 28 ASP CB C 28 40.535 41.435 -0.900 1
1 286 . 11 1 1 A 28 28 ASP N N 28 112.805 122.292 -9.487 1
1 287 . 11 1 1 A 29 29 GLY H H 29 7.770 8.777 -1.007 1
1 288 . 11 1 1 A 29 29 GLY HA2 H 29 3.942 4.121 -0.179 1
1 289 . 11 1 1 A 29 29 GLY HA3 H 29 3.806 4.122 -0.316 1
1 290 . 11 1 1 A 29 29 GLY C C 29 174.455 174.090 0.365 1
1 291 . 11 1 1 A 29 29 GLY CA C 29 47.297 44.114 3.183 1
1 292 . 11 1 1 A 29 29 GLY N N 29 129.863 112.242 17.621 1
1 293 . 11 1 1 A 30 30 VAL H H 30 7.792 8.397 -0.605 1
1 294 . 11 1 1 A 30 30 VAL HA H 30 4.391 4.374 0.017 1
1 302 . 11 1 1 A 30 30 VAL C C 30 174.315 176.081 -1.766 1
1 303 . 11 1 1 A 30 30 VAL CA C 30 62.180 62.049 0.131 1
1 304 . 11 1 1 A 30 30 VAL CB C 30 35.931 33.576 2.355 1
1 307 . 11 1 1 A 30 30 VAL N N 30 112.711 116.813 -4.102 1
1 308 . 11 1 1 A 31 31 VAL H H 31 8.748 7.831 0.917 1
1 309 . 11 1 1 A 31 31 VAL C C 31 172.882 175.639 -2.757 1
1 310 . 11 1 1 A 31 31 VAL CA C 31 62.284 59.108 3.176 1
1 311 . 11 1 1 A 31 31 VAL CB C 31 33.804 31.611 2.193 1
1 312 . 11 1 1 A 31 31 VAL N N 31 123.316 118.813 4.503 1
1 313 . 11 1 1 A 32 32 PRO HA H 32 5.038 4.519 0.519 1
1 320 . 11 1 1 A 32 32 PRO C C 32 179.633 177.143 2.490 1
1 321 . 11 1 1 A 32 32 PRO CA C 32 63.073 63.834 -0.761 1
1 322 . 11 1 1 A 32 32 PRO CB C 32 32.421 32.794 -0.373 1
1 325 . 11 1 1 A 33 33 THR H H 33 8.739 7.918 0.821 1
1 326 . 11 1 1 A 33 33 THR HA H 33 3.896 4.071 -0.175 1
1 331 . 11 1 1 A 33 33 THR C C 33 174.735 176.001 -1.266 1
1 332 . 11 1 1 A 33 33 THR CA C 33 64.329 66.100 -1.771 1
1 333 . 11 1 1 A 33 33 THR CB C 33 67.929 68.124 -0.195 1
1 335 . 11 1 1 A 33 33 THR N N 33 120.858 114.210 6.648 1
1 336 . 11 1 1 A 34 34 GLY H H 34 8.303 8.017 0.286 1
1 337 . 11 1 1 A 34 34 GLY HA2 H 34 4.359 3.907 0.452 1
1 338 . 11 1 1 A 34 34 GLY HA3 H 34 3.451 3.913 -0.462 1
1 339 . 11 1 1 A 34 34 GLY C C 34 174.037 173.139 0.898 1
1 340 . 11 1 1 A 34 34 GLY CA C 34 45.067 45.409 -0.342 1
1 341 . 11 1 1 A 34 34 GLY N N 34 114.645 108.654 5.991 1
1 342 . 11 1 1 A 35 35 THR H H 35 7.405 7.307 0.098 1
1 343 . 11 1 1 A 35 35 THR HA H 35 4.073 4.961 -0.888 1
1 348 . 11 1 1 A 35 35 THR C C 35 174.540 173.849 0.691 1
1 349 . 11 1 1 A 35 35 THR CA C 35 65.137 61.285 3.852 1
1 350 . 11 1 1 A 35 35 THR CB C 35 69.484 71.989 -2.505 1
1 352 . 11 1 1 A 35 35 THR N N 35 117.340 114.388 2.952 1
1 353 . 11 1 1 A 36 36 ASN H H 36 8.836 8.323 0.513 1
1 354 . 11 1 1 A 36 36 ASN HA H 36 5.686 5.234 0.452 1
1 357 . 11 1 1 A 36 36 ASN C C 36 176.512 175.970 0.542 1
1 358 . 11 1 1 A 36 36 ASN CA C 36 50.439 50.715 -0.276 1
1 359 . 11 1 1 A 36 36 ASN CB C 36 40.274 40.183 0.091 1
1 360 . 11 1 1 A 36 36 ASN N N 36 127.379 123.378 4.001 1
1 361 . 11 1 1 A 37 37 LEU H H 37 8.045 8.739 -0.694 1
1 362 . 11 1 1 A 37 37 LEU HA H 37 4.142 4.075 0.067 1
1 372 . 11 1 1 A 37 37 LEU C C 37 178.931 178.118 0.813 1
1 373 . 11 1 1 A 37 37 LEU CA C 37 59.274 58.377 0.897 1
1 374 . 11 1 1 A 37 37 LEU CB C 37 42.159 41.451 0.708 1
1 378 . 11 1 1 A 37 37 LEU N N 37 119.164 120.217 -1.053 1
1 379 . 11 1 1 A 38 38 ASN H H 38 7.959 8.257 -0.298 1
1 380 . 11 1 1 A 38 38 ASN HA H 38 4.502 4.454 0.048 1
1 383 . 11 1 1 A 38 38 ASN C C 38 178.691 178.109 0.582 1
1 384 . 11 1 1 A 38 38 ASN CA C 38 57.080 56.525 0.555 1
1 385 . 11 1 1 A 38 38 ASN CB C 38 38.367 38.538 -0.171 1
1 386 . 11 1 1 A 38 38 ASN N N 38 118.522 117.459 1.063 1
1 387 . 11 1 1 A 39 39 GLY H H 39 8.828 8.200 0.628 1
1 388 . 11 1 1 A 39 39 GLY HA2 H 39 4.088 3.693 0.395 1
1 389 . 11 1 1 A 39 39 GLY HA3 H 39 3.911 3.697 0.214 1
1 390 . 11 1 1 A 39 39 GLY C C 39 177.320 175.710 1.610 1
1 391 . 11 1 1 A 39 39 GLY CA C 39 46.879 47.210 -0.331 1
1 392 . 11 1 1 A 39 39 GLY N N 39 109.615 107.283 2.332 1
1 393 . 11 1 1 A 40 40 LEU H H 40 8.829 7.981 0.848 1
1 394 . 11 1 1 A 40 40 LEU HA H 40 4.504 4.077 0.427 1
1 404 . 11 1 1 A 40 40 LEU C C 40 177.788 178.919 -1.131 1
1 405 . 11 1 1 A 40 40 LEU CA C 40 57.770 57.883 -0.113 1
1 406 . 11 1 1 A 40 40 LEU CB C 40 41.713 42.082 -0.369 1
1 410 . 11 1 1 A 40 40 LEU N N 40 125.884 123.298 2.586 1
1 411 . 11 1 1 A 41 41 VAL H H 41 8.333 8.215 0.118 1
1 412 . 11 1 1 A 41 41 VAL HA H 41 3.328 3.853 -0.525 1
1 420 . 11 1 1 A 41 41 VAL C C 41 177.556 177.833 -0.277 1
1 421 . 11 1 1 A 41 41 VAL CA C 41 67.977 65.318 2.659 1
1 422 . 11 1 1 A 41 41 VAL CB C 41 31.080 31.135 -0.055 1
1 425 . 11 1 1 A 41 41 VAL N N 41 120.213 115.038 5.175 1
1 426 . 11 1 1 A 42 42 GLN H H 42 7.672 8.102 -0.430 1
1 427 . 11 1 1 A 42 42 GLN HA H 42 3.866 3.993 -0.127 1
1 432 . 11 1 1 A 42 42 GLN C C 42 177.980 177.977 0.003 1
1 433 . 11 1 1 A 42 42 GLN CA C 42 58.694 59.048 -0.354 1
1 434 . 11 1 1 A 42 42 GLN CB C 42 27.809 28.816 -1.007 1
1 436 . 11 1 1 A 42 42 GLN N N 42 116.386 121.815 -5.429 1
1 437 . 11 1 1 A 43 43 LEU H H 43 8.080 7.533 0.547 1
1 438 . 11 1 1 A 43 43 LEU HA H 43 4.225 4.210 0.015 1
1 448 . 11 1 1 A 43 43 LEU C C 43 179.999 178.239 1.760 1
1 449 . 11 1 1 A 43 43 LEU CA C 43 58.275 57.608 0.667 1
1 450 . 11 1 1 A 43 43 LEU CB C 43 43.046 41.545 1.501 1
1 454 . 11 1 1 A 43 43 LEU N N 43 122.204 120.538 1.666 1
1 455 . 11 1 1 A 44 44 LEU H H 44 8.810 8.145 0.665 1
1 456 . 11 1 1 A 44 44 LEU HA H 44 4.384 4.545 -0.161 1
1 466 . 11 1 1 A 44 44 LEU C C 44 179.311 179.142 0.169 1
1 467 . 11 1 1 A 44 44 LEU CA C 44 58.397 57.094 1.303 1
1 468 . 11 1 1 A 44 44 LEU CB C 44 41.553 42.698 -1.145 1
1 472 . 11 1 1 A 44 44 LEU N N 44 119.371 117.970 1.401 1
1 473 . 11 1 1 A 45 45 LYS H H 45 8.652 8.506 0.146 1
1 474 . 11 1 1 A 45 45 LYS HA H 45 3.678 4.200 -0.522 1
1 483 . 11 1 1 A 45 45 LYS C C 45 177.005 178.974 -1.969 1
1 484 . 11 1 1 A 45 45 LYS CA C 45 60.016 59.095 0.921 1
1 485 . 11 1 1 A 45 45 LYS CB C 45 32.411 32.318 0.093 1
1 489 . 11 1 1 A 45 45 LYS N N 45 120.434 119.901 0.533 1
1 490 . 11 1 1 A 46 46 THR H H 46 8.180 8.304 -0.124 1
1 491 . 11 1 1 A 46 46 THR HA H 46 4.027 3.990 0.037 1
1 496 . 11 1 1 A 46 46 THR C C 46 176.217 176.506 -0.289 1
1 497 . 11 1 1 A 46 46 THR CA C 46 65.173 66.454 -1.281 1
1 498 . 11 1 1 A 46 46 THR CB C 46 69.680 68.869 0.811 1
1 500 . 11 1 1 A 46 46 THR N N 46 109.149 115.614 -6.465 1
1 501 . 11 1 1 A 47 47 ASN H H 47 8.170 8.060 0.110 1
1 502 . 11 1 1 A 47 47 ASN HA H 47 4.785 4.525 0.260 1
1 505 . 11 1 1 A 47 47 ASN C C 47 175.267 176.400 -1.133 1
1 506 . 11 1 1 A 47 47 ASN CA C 47 54.213 55.961 -1.748 1
1 507 . 11 1 1 A 47 47 ASN CB C 47 40.712 39.208 1.504 1
1 508 . 11 1 1 A 47 47 ASN N N 47 116.045 119.152 -3.107 1
1 509 . 11 1 1 A 48 48 TYR H H 48 8.094 7.456 0.638 1
1 510 . 11 1 1 A 48 48 TYR HA H 48 4.695 4.650 0.045 1
1 513 . 11 1 1 A 48 48 TYR C C 48 175.011 175.495 -0.484 1
1 514 . 11 1 1 A 48 48 TYR CA C 48 60.273 60.042 0.231 1
1 515 . 11 1 1 A 48 48 TYR CB C 48 41.189 39.023 2.166 1
1 516 . 11 1 1 A 48 48 TYR N N 48 115.849 118.343 -2.494 1
1 517 . 11 1 1 A 49 49 VAL H H 49 7.769 7.712 0.057 1
1 518 . 11 1 1 A 49 49 VAL HA H 49 3.715 3.777 -0.062 1
1 526 . 11 1 1 A 49 49 VAL C C 49 176.157 176.699 -0.542 1
1 527 . 11 1 1 A 49 49 VAL CA C 49 63.454 63.046 0.408 1
1 528 . 11 1 1 A 49 49 VAL CB C 49 31.695 29.870 1.825 1
1 531 . 11 1 1 A 49 49 VAL N N 49 120.510 119.095 1.415 1
1 532 . 11 1 1 A 50 50 LYS H H 50 8.334 7.943 0.391 1
1 533 . 11 1 1 A 50 50 LYS HA H 50 4.242 3.935 0.307 1
1 542 . 11 1 1 A 50 50 LYS C C 50 176.562 176.607 -0.045 1
1 543 . 11 1 1 A 50 50 LYS CA C 50 55.979 58.645 -2.666 1
1 544 . 11 1 1 A 50 50 LYS CB C 50 32.822 32.146 0.676 1
1 548 . 11 1 1 A 50 50 LYS N N 50 125.933 123.921 2.012 1
1 549 . 11 1 1 A 51 51 GLU H H 51 7.598 7.881 -0.283 1
1 550 . 11 1 1 A 51 51 GLU HA H 51 4.328 4.402 -0.074 1
1 553 . 11 1 1 A 51 51 GLU C C 51 172.975 175.572 -2.597 1
1 554 . 11 1 1 A 51 51 GLU CA C 51 55.074 54.907 0.167 1
1 555 . 11 1 1 A 51 51 GLU CB C 51 32.633 31.803 0.830 1
1 557 . 11 1 1 A 51 51 GLU N N 51 117.804 120.167 -2.363 1
1 558 . 11 1 1 A 52 52 ARG H H 52 8.383 8.293 0.090 1
1 559 . 11 1 1 A 52 52 ARG CA C 52 53.279 54.452 -1.173 1
1 560 . 11 1 1 A 52 52 ARG CB C 52 26.615 30.457 -3.842 1
1 561 . 11 1 1 A 52 52 ARG N N 52 111.793 122.389 -10.596 1
1 562 . 11 1 1 A 53 53 PRO HA H 53 4.029 4.500 -0.471 1
1 569 . 11 1 1 A 53 53 PRO C C 53 177.018 177.012 0.006 1
1 570 . 11 1 1 A 53 53 PRO CA C 53 65.474 64.462 1.012 1
1 571 . 11 1 1 A 53 53 PRO CB C 53 30.916 32.023 -1.107 1
1 574 . 11 1 1 A 53 53 PRO N N 53 111.793 140.783 -28.990 1
1 575 . 11 1 1 A 54 54 ASP H H 54 8.462 8.589 -0.127 1
1 576 . 11 1 1 A 54 54 ASP HA H 54 4.345 4.661 -0.316 1
1 579 . 11 1 1 A 54 54 ASP C C 54 176.493 177.713 -1.220 1
1 580 . 11 1 1 A 54 54 ASP CA C 54 54.982 54.260 0.722 1
1 581 . 11 1 1 A 54 54 ASP CB C 54 39.451 41.348 -1.897 1
1 582 . 11 1 1 A 54 54 ASP N N 54 113.848 117.609 -3.761 1
1 583 . 11 1 1 A 55 55 LEU H H 55 7.766 7.942 -0.176 1
1 584 . 11 1 1 A 55 55 LEU HA H 55 4.235 4.003 0.232 1
1 594 . 11 1 1 A 55 55 LEU C C 55 175.873 178.574 -2.701 1
1 595 . 11 1 1 A 55 55 LEU CA C 55 55.305 57.558 -2.253 1
1 596 . 11 1 1 A 55 55 LEU CB C 55 41.271 41.449 -0.178 1
1 600 . 11 1 1 A 55 55 LEU N N 55 117.721 118.102 -0.381 1
1 601 . 11 1 1 A 56 56 LEU H H 56 7.630 7.690 -0.060 1
1 602 . 11 1 1 A 56 56 LEU HA H 56 4.552 4.436 0.116 1
1 612 . 11 1 1 A 56 56 LEU C C 56 175.341 177.093 -1.752 1
1 613 . 11 1 1 A 56 56 LEU CA C 56 55.516 56.222 -0.706 1
1 614 . 11 1 1 A 56 56 LEU CB C 56 44.910 42.747 2.163 1
1 618 . 11 1 1 A 56 56 LEU N N 56 118.796 116.218 2.578 1
1 619 . 11 1 1 A 57 57 VAL H H 57 7.206 7.404 -0.198 1
1 620 . 11 1 1 A 57 57 VAL HA H 57 5.048 4.058 0.990 1
1 628 . 11 1 1 A 57 57 VAL C C 57 175.020 175.956 -0.936 1
1 629 . 11 1 1 A 57 57 VAL CA C 57 58.550 62.166 -3.616 1
1 630 . 11 1 1 A 57 57 VAL CB C 57 35.049 32.739 2.310 1
1 633 . 11 1 1 A 57 57 VAL N N 57 106.872 119.597 -12.725 1
1 634 . 11 1 1 A 58 58 ASP H H 58 8.447 9.439 -0.992 1
1 635 . 11 1 1 A 58 58 ASP HA H 58 4.459 4.329 0.130 1
1 638 . 11 1 1 A 58 58 ASP C C 58 177.406 176.947 0.459 1
1 639 . 11 1 1 A 58 58 ASP CA C 58 53.130 56.785 -3.655 1
1 640 . 11 1 1 A 58 58 ASP CB C 58 40.985 41.442 -0.457 1
1 641 . 11 1 1 A 58 58 ASP N N 58 118.741 124.155 -5.414 1
1 642 . 11 1 1 A 59 59 GLN H H 59 8.883 7.902 0.981 1
1 643 . 11 1 1 A 59 59 GLN HA H 59 4.031 4.603 -0.572 1
1 648 . 11 1 1 A 59 59 GLN C C 59 177.499 176.581 0.918 1
1 649 . 11 1 1 A 59 59 GLN CA C 59 59.120 57.304 1.816 1
1 650 . 11 1 1 A 59 59 GLN CB C 59 28.389 31.405 -3.016 1
1 652 . 11 1 1 A 59 59 GLN N N 59 119.603 117.079 2.524 1
1 653 . 11 1 1 A 60 60 THR H H 60 8.060 8.091 -0.031 1
1 654 . 11 1 1 A 60 60 THR HA H 60 4.296 4.407 -0.111 1
1 659 . 11 1 1 A 60 60 THR C C 60 176.363 175.660 0.703 1
1 660 . 11 1 1 A 60 60 THR CA C 60 63.358 62.765 0.593 1
1 661 . 11 1 1 A 60 60 THR CB C 60 70.577 69.921 0.656 1
1 663 . 11 1 1 A 60 60 THR N N 60 109.323 108.614 0.709 1
1 664 . 11 1 1 A 61 61 GLY H H 61 8.001 8.002 -0.001 1
1 665 . 11 1 1 A 61 61 GLY HA2 H 61 4.173 3.909 0.264 1
1 666 . 11 1 1 A 61 61 GLY HA3 H 61 3.610 3.912 -0.302 1
1 667 . 11 1 1 A 61 61 GLY C C 61 174.049 174.054 -0.005 1
1 668 . 11 1 1 A 61 61 GLY CA C 61 45.301 46.403 -1.102 1
1 669 . 11 1 1 A 61 61 GLY N N 61 109.323 110.588 -1.265 1
1 670 . 11 1 1 A 62 62 GLN H H 62 8.091 8.084 0.007 1
1 671 . 11 1 1 A 62 62 GLN HA H 62 4.172 4.930 -0.758 1
1 674 . 11 1 1 A 62 62 GLN C C 62 175.201 175.116 0.085 1
1 675 . 11 1 1 A 62 62 GLN CA C 62 56.474 57.032 -0.558 1
1 676 . 11 1 1 A 62 62 GLN CB C 62 30.618 31.547 -0.929 1
1 678 . 11 1 1 A 62 62 GLN N N 62 117.247 119.266 -2.019 1
1 679 . 11 1 1 A 63 63 THR H H 63 7.740 7.912 -0.172 1
1 680 . 11 1 1 A 63 63 THR HA H 63 4.624 4.731 -0.107 1
1 685 . 11 1 1 A 63 63 THR C C 63 172.622 173.869 -1.247 1
1 686 . 11 1 1 A 63 63 THR CA C 63 59.718 60.313 -0.595 1
1 687 . 11 1 1 A 63 63 THR CB C 63 70.832 71.108 -0.276 1
1 689 . 11 1 1 A 63 63 THR N N 63 113.860 112.847 1.013 1
1 690 . 11 1 1 A 64 64 LEU H H 64 8.364 8.360 0.004 1
1 691 . 11 1 1 A 64 64 LEU HA H 64 4.324 4.252 0.072 1
1 701 . 11 1 1 A 64 64 LEU C C 64 176.311 177.729 -1.418 1
1 702 . 11 1 1 A 64 64 LEU CA C 64 55.025 55.561 -0.536 1
1 703 . 11 1 1 A 64 64 LEU CB C 64 43.871 42.304 1.567 1
1 707 . 11 1 1 A 64 64 LEU N N 64 123.689 127.976 -4.287 1
1 708 . 11 1 1 A 65 65 ARG H H 65 8.192 9.231 -1.039 1
1 709 . 11 1 1 A 65 65 ARG C C 65 173.609 175.264 -1.655 1
1 710 . 11 1 1 A 65 65 ARG CA C 65 55.287 54.773 0.514 1
1 711 . 11 1 1 A 65 65 ARG CB C 65 29.681 30.582 -0.901 1
1 712 . 11 1 1 A 65 65 ARG N N 65 126.639 121.658 4.981 1
1 713 . 11 1 1 A 66 66 PRO HA H 66 4.390 4.318 0.072 1
1 720 . 11 1 1 A 66 66 PRO C C 66 177.030 177.399 -0.369 1
1 721 . 11 1 1 A 66 66 PRO CA C 66 63.719 63.738 -0.019 1
1 722 . 11 1 1 A 66 66 PRO CB C 66 31.825 31.485 0.340 1
1 725 . 11 1 1 A 66 66 PRO N N 66 126.639 137.500 -10.861 1
1 726 . 11 1 1 A 67 67 GLY H H 67 8.744 8.613 0.131 1
1 727 . 11 1 1 A 67 67 GLY HA2 H 67 4.232 4.036 0.196 1
1 728 . 11 1 1 A 67 67 GLY HA3 H 67 3.544 4.041 -0.497 1
1 729 . 11 1 1 A 67 67 GLY C C 67 174.319 174.812 -0.493 1
1 730 . 11 1 1 A 67 67 GLY CA C 67 44.818 45.446 -0.628 1
1 731 . 11 1 1 A 68 68 ILE H H 68 7.522 8.033 -0.511 1
1 732 . 11 1 1 A 68 68 ILE HA H 68 4.690 4.606 0.084 1
1 742 . 11 1 1 A 68 68 ILE C C 68 174.703 174.720 -0.017 1
1 743 . 11 1 1 A 68 68 ILE CA C 68 61.047 60.792 0.255 1
1 744 . 11 1 1 A 68 68 ILE CB C 68 38.090 38.704 -0.614 1
1 748 . 11 1 1 A 68 68 ILE N N 68 121.049 121.477 -0.428 1
1 749 . 11 1 1 A 69 69 LEU H H 69 9.207 9.504 -0.297 1
1 750 . 11 1 1 A 69 69 LEU HA H 69 4.449 5.066 -0.617 1
1 760 . 11 1 1 A 69 69 LEU C C 69 174.991 176.055 -1.064 1
1 761 . 11 1 1 A 69 69 LEU CA C 69 54.106 53.622 0.484 1
1 762 . 11 1 1 A 69 69 LEU CB C 69 43.588 43.651 -0.063 1
1 766 . 11 1 1 A 69 69 LEU N N 69 131.197 128.469 2.728 1
1 767 . 11 1 1 A 70 70 VAL H H 70 8.149 8.541 -0.392 1
1 768 . 11 1 1 A 70 70 VAL HA H 70 4.955 4.514 0.441 1
1 776 . 11 1 1 A 70 70 VAL C C 70 175.167 175.372 -0.205 1
1 777 . 11 1 1 A 70 70 VAL CA C 70 59.928 61.463 -1.535 1
1 778 . 11 1 1 A 70 70 VAL CB C 70 33.239 32.399 0.840 1
1 781 . 11 1 1 A 70 70 VAL N N 70 121.953 123.216 -1.263 1
1 782 . 11 1 1 A 71 71 LEU H H 71 8.881 8.273 0.608 1
1 783 . 11 1 1 A 71 71 LEU HA H 71 4.922 5.113 -0.191 1
1 793 . 11 1 1 A 71 71 LEU C C 71 176.487 175.148 1.339 1
1 794 . 11 1 1 A 71 71 LEU CA C 71 52.627 52.987 -0.360 1
1 795 . 11 1 1 A 71 71 LEU CB C 71 44.487 44.736 -0.249 1
1 799 . 11 1 1 A 71 71 LEU N N 71 126.071 126.687 -0.616 1
1 800 . 11 1 1 A 72 72 VAL H H 72 9.048 8.957 0.091 1
1 801 . 11 1 1 A 72 72 VAL HA H 72 4.351 5.024 -0.673 1
1 809 . 11 1 1 A 72 72 VAL C C 72 176.078 175.017 1.061 1
1 810 . 11 1 1 A 72 72 VAL CA C 72 60.886 60.248 0.638 1
1 811 . 11 1 1 A 72 72 VAL CB C 72 33.141 34.050 -0.909 1
1 814 . 11 1 1 A 72 72 VAL N N 72 120.969 119.113 1.856 1
1 815 . 11 1 1 A 73 73 ASN H H 73 9.630 9.505 0.125 1
1 816 . 11 1 1 A 73 73 ASN HA H 73 4.335 4.396 -0.061 1
1 821 . 11 1 1 A 73 73 ASN C C 73 175.496 174.481 1.015 1
1 822 . 11 1 1 A 73 73 ASN CA C 73 54.736 54.651 0.085 1
1 823 . 11 1 1 A 73 73 ASN CB C 73 36.825 36.845 -0.020 1
1 824 . 11 1 1 A 73 73 ASN N N 73 129.082 121.399 7.683 1
1 825 . 11 1 1 A 74 74 SER H H 74 9.308 8.506 0.802 1
1 826 . 11 1 1 A 74 74 SER C C 74 172.584 172.649 -0.065 1
1 827 . 11 1 1 A 74 74 SER N N 74 106.084 105.546 0.538 1
1 828 . 11 1 1 A 75 75 CYS H H 75 7.845 7.438 0.407 1
1 829 . 11 1 1 A 75 75 CYS C C 75 176.045 172.756 3.289 1
1 830 . 11 1 1 A 75 75 CYS CA C 75 57.152 57.951 -0.799 1
1 831 . 11 1 1 A 75 75 CYS CB C 75 29.101 30.955 -1.854 1
1 832 . 11 1 1 A 75 75 CYS N N 75 120.460 117.714 2.746 1
1 833 . 11 1 1 A 76 76 ASP H H 76 8.766 8.735 0.031 1
1 834 . 11 1 1 A 76 76 ASP HA H 76 4.295 4.567 -0.272 1
1 837 . 11 1 1 A 76 76 ASP C C 76 177.713 177.501 0.212 1
1 838 . 11 1 1 A 76 76 ASP CA C 76 55.721 54.880 0.841 1
1 839 . 11 1 1 A 76 76 ASP CB C 76 41.513 40.864 0.649 1
1 840 . 11 1 1 A 76 76 ASP N N 76 126.661 125.735 0.926 1
1 841 . 11 1 1 A 77 77 ALA H H 77 8.555 8.616 -0.061 1
1 842 . 11 1 1 A 77 77 ALA HA H 77 3.688 3.746 -0.058 1
1 846 . 11 1 1 A 77 77 ALA C C 77 180.149 179.120 1.029 1
1 847 . 11 1 1 A 77 77 ALA CA C 77 54.334 54.273 0.061 1
1 848 . 11 1 1 A 77 77 ALA CB C 77 18.453 18.289 0.164 1
1 849 . 11 1 1 A 77 77 ALA N N 77 128.302 125.927 2.375 1
1 850 . 11 1 1 A 78 78 GLU H H 78 9.034 7.748 1.286 1
1 851 . 11 1 1 A 78 78 GLU HA H 78 3.763 4.099 -0.336 1
1 856 . 11 1 1 A 78 78 GLU C C 78 179.359 179.233 0.126 1
1 857 . 11 1 1 A 78 78 GLU CA C 78 59.569 58.987 0.582 1
1 858 . 11 1 1 A 78 78 GLU CB C 78 29.511 28.983 0.528 1
1 860 . 11 1 1 A 78 78 GLU N N 78 117.499 118.446 -0.947 1
1 861 . 11 1 1 A 79 79 VAL H H 79 7.753 7.867 -0.114 1
1 862 . 11 1 1 A 79 79 VAL HA H 79 3.927 3.669 0.258 1
1 870 . 11 1 1 A 79 79 VAL C C 79 177.408 177.191 0.217 1
1 871 . 11 1 1 A 79 79 VAL CA C 79 64.439 65.882 -1.443 1
1 872 . 11 1 1 A 79 79 VAL CB C 79 31.904 31.656 0.248 1
1 875 . 11 1 1 A 79 79 VAL N N 79 115.536 121.096 -5.560 1
1 876 . 11 1 1 A 80 80 VAL H H 80 7.123 7.456 -0.333 1
1 877 . 11 1 1 A 80 80 VAL HA H 80 4.443 4.143 0.300 1
1 885 . 11 1 1 A 80 80 VAL C C 80 175.020 177.308 -2.288 1
1 886 . 11 1 1 A 80 80 VAL CA C 80 60.286 63.064 -2.778 1
1 887 . 11 1 1 A 80 80 VAL CB C 80 30.948 32.725 -1.777 1
1 890 . 11 1 1 A 80 80 VAL N N 80 109.738 116.011 -6.273 1
1 891 . 11 1 1 A 81 81 GLY H H 81 7.210 8.167 -0.957 1
1 892 . 11 1 1 A 81 81 GLY HA2 H 81 4.511 4.125 0.386 1
1 893 . 11 1 1 A 81 81 GLY HA3 H 81 3.664 4.180 -0.516 1
1 894 . 11 1 1 A 81 81 GLY C C 81 175.262 175.522 -0.260 1
1 895 . 11 1 1 A 81 81 GLY CA C 81 44.964 45.856 -0.892 1
1 896 . 11 1 1 A 81 81 GLY N N 81 106.697 109.656 -2.959 1
1 897 . 11 1 1 A 82 82 GLY H H 82 8.673 7.712 0.961 1
1 898 . 11 1 1 A 82 82 GLY HA2 H 82 4.022 4.009 0.013 1
1 899 . 11 1 1 A 82 82 GLY HA3 H 82 3.150 4.027 -0.877 1
1 900 . 11 1 1 A 82 82 GLY C C 82 174.547 174.457 0.090 1
1 901 . 11 1 1 A 82 82 GLY CA C 82 45.151 45.888 -0.737 1
1 902 . 11 1 1 A 82 82 GLY N N 82 111.931 106.395 5.536 1
1 903 . 11 1 1 A 83 83 MET H H 83 8.841 8.470 0.371 1
1 904 . 11 1 1 A 83 83 MET HA H 83 4.582 4.097 0.485 1
1 909 . 11 1 1 A 83 83 MET C C 83 176.001 174.412 1.589 1
1 910 . 11 1 1 A 83 83 MET CA C 83 55.737 57.188 -1.451 1
1 911 . 11 1 1 A 83 83 MET CB C 83 30.273 31.320 -1.047 1
1 913 . 11 1 1 A 83 83 MET N N 83 119.840 111.250 8.590 1
1 914 . 11 1 1 A 84 84 ASP H H 84 7.395 8.118 -0.723 1
1 915 . 11 1 1 A 84 84 ASP HA H 84 4.695 4.932 -0.237 1
1 918 . 11 1 1 A 84 84 ASP C C 84 176.694 174.985 1.709 1
1 919 . 11 1 1 A 84 84 ASP CA C 84 54.300 53.173 1.127 1
1 920 . 11 1 1 A 84 84 ASP CB C 84 41.551 42.022 -0.471 1
1 921 . 11 1 1 A 84 84 ASP N N 84 114.478 117.948 -3.470 1
1 922 . 11 1 1 A 85 85 TYR H H 85 7.930 7.963 -0.033 1
1 923 . 11 1 1 A 85 85 TYR HA H 85 4.148 4.717 -0.569 1
1 926 . 11 1 1 A 85 85 TYR C C 85 173.845 175.111 -1.266 1
1 927 . 11 1 1 A 85 85 TYR CA C 85 59.520 57.070 2.450 1
1 928 . 11 1 1 A 85 85 TYR CB C 85 38.105 38.809 -0.704 1
1 929 . 11 1 1 A 85 85 TYR N N 85 123.769 121.833 1.936 1
1 930 . 11 1 1 A 86 86 VAL H H 86 7.755 8.224 -0.469 1
1 931 . 11 1 1 A 86 86 VAL HA H 86 3.402 4.308 -0.906 1
1 939 . 11 1 1 A 86 86 VAL C C 86 173.896 175.721 -1.825 1
1 940 . 11 1 1 A 86 86 VAL CA C 86 62.779 62.059 0.720 1
1 941 . 11 1 1 A 86 86 VAL CB C 86 31.843 32.696 -0.853 1
1 944 . 11 1 1 A 86 86 VAL N N 86 130.130 125.022 5.108 1
1 945 . 11 1 1 A 87 87 LEU H H 87 7.069 8.889 -1.820 1
1 946 . 11 1 1 A 87 87 LEU HA H 87 3.833 4.566 -0.733 1
1 956 . 11 1 1 A 87 87 LEU C C 87 176.432 176.443 -0.011 1
1 957 . 11 1 1 A 87 87 LEU CA C 87 55.977 54.637 1.340 1
1 958 . 11 1 1 A 87 87 LEU CB C 87 42.126 42.569 -0.443 1
1 962 . 11 1 1 A 87 87 LEU N N 87 121.577 126.344 -4.767 1
1 963 . 11 1 1 A 88 88 ASN H H 88 8.705 8.659 0.046 1
1 964 . 11 1 1 A 88 88 ASN HA H 88 4.717 4.969 -0.252 1
1 967 . 11 1 1 A 88 88 ASN C C 88 173.156 174.215 -1.059 1
1 968 . 11 1 1 A 88 88 ASN CA C 88 51.471 52.192 -0.721 1
1 969 . 11 1 1 A 88 88 ASN CB C 88 41.622 38.962 2.660 1
1 970 . 11 1 1 A 88 88 ASN N N 88 120.561 119.580 0.981 1
1 971 . 11 1 1 A 89 89 ASP H H 89 8.482 8.525 -0.043 1
1 972 . 11 1 1 A 89 89 ASP HA H 89 3.937 4.365 -0.428 1
1 975 . 11 1 1 A 89 89 ASP C C 89 178.751 176.238 2.513 1
1 976 . 11 1 1 A 89 89 ASP CA C 89 56.268 55.537 0.731 1
1 977 . 11 1 1 A 89 89 ASP CB C 89 40.380 39.423 0.957 1
1 978 . 11 1 1 A 89 89 ASP N N 89 122.084 114.807 7.277 1
1 979 . 11 1 1 A 90 90 GLY H H 90 9.334 8.367 0.967 1
1 980 . 11 1 1 A 90 90 GLY HA2 H 90 4.314 4.043 0.271 1
1 981 . 11 1 1 A 90 90 GLY HA3 H 90 3.619 4.046 -0.427 1
1 982 . 11 1 1 A 90 90 GLY C C 90 174.907 174.364 0.543 1
1 983 . 11 1 1 A 90 90 GLY CA C 90 45.076 45.057 0.019 1
1 984 . 11 1 1 A 90 90 GLY N N 90 117.218 105.770 11.448 1
1 985 . 11 1 1 A 91 91 ASP H H 91 7.987 8.126 -0.139 1
1 986 . 11 1 1 A 91 91 ASP HA H 91 4.745 4.790 -0.045 1
1 989 . 11 1 1 A 91 91 ASP C C 91 175.436 175.627 -0.191 1
1 990 . 11 1 1 A 91 91 ASP CA C 91 55.954 54.251 1.703 1
1 991 . 11 1 1 A 91 91 ASP CB C 91 41.876 42.429 -0.553 1
1 992 . 11 1 1 A 91 91 ASP N N 91 122.336 121.237 1.099 1
1 993 . 11 1 1 A 92 92 THR H H 92 8.227 8.736 -0.509 1
1 994 . 11 1 1 A 92 92 THR HA H 92 5.093 5.156 -0.063 1
1 999 . 11 1 1 A 92 92 THR C C 92 173.702 173.058 0.644 1
1 1000 . 11 1 1 A 92 92 THR CA C 92 61.477 61.964 -0.487 1
1 1001 . 11 1 1 A 92 92 THR CB C 92 70.032 70.233 -0.201 1
1 1003 . 11 1 1 A 92 92 THR N N 92 115.456 119.277 -3.821 1
1 1004 . 11 1 1 A 93 93 VAL H H 93 9.039 8.867 0.172 1
1 1005 . 11 1 1 A 93 93 VAL HA H 93 4.731 4.838 -0.107 1
1 1013 . 11 1 1 A 93 93 VAL C C 93 173.391 173.026 0.365 1
1 1014 . 11 1 1 A 93 93 VAL CA C 93 59.984 60.040 -0.056 1
1 1015 . 11 1 1 A 93 93 VAL CB C 93 33.978 35.531 -1.553 1
1 1018 . 11 1 1 A 93 93 VAL N N 93 129.109 125.194 3.915 1
1 1019 . 11 1 1 A 94 94 GLU H H 94 9.012 8.476 0.536 1
1 1020 . 11 1 1 A 94 94 GLU HA H 94 4.941 4.903 0.038 1
1 1025 . 11 1 1 A 94 94 GLU C C 94 173.669 175.077 -1.408 1
1 1026 . 11 1 1 A 94 94 GLU CA C 94 53.577 54.428 -0.851 1
1 1027 . 11 1 1 A 94 94 GLU CB C 94 32.853 33.990 -1.137 1
1 1029 . 11 1 1 A 94 94 GLU N N 94 126.881 127.217 -0.336 1
1 1030 . 11 1 1 A 95 95 PHE H H 95 9.012 8.412 0.600 1
1 1031 . 11 1 1 A 95 95 PHE HA H 95 4.941 5.127 -0.186 1
1 1034 . 11 1 1 A 95 95 PHE C C 95 174.687 174.516 0.171 1
1 1035 . 11 1 1 A 95 95 PHE CA C 95 56.843 56.527 0.316 1
1 1036 . 11 1 1 A 95 95 PHE CB C 95 40.889 40.592 0.297 1
1 1037 . 11 1 1 A 95 95 PHE N N 95 122.718 119.667 3.051 1
1 1038 . 11 1 1 A 96 96 ILE H H 96 9.292 8.749 0.543 1
1 1039 . 11 1 1 A 96 96 ILE HA H 96 4.573 4.776 -0.203 1
1 1049 . 11 1 1 A 96 96 ILE C C 96 175.897 175.560 0.337 1
1 1050 . 11 1 1 A 96 96 ILE CA C 96 59.748 60.394 -0.646 1
1 1051 . 11 1 1 A 96 96 ILE CB C 96 40.938 39.608 1.330 1
1 1055 . 11 1 1 A 96 96 ILE N N 96 123.112 125.302 -2.190 1
1 1056 . 11 1 1 A 97 97 SER H H 97 8.245 9.655 -1.410 1
1 1057 . 11 1 1 A 97 97 SER HA H 97 4.800 4.544 0.256 1
1 1060 . 11 1 1 A 97 97 SER C C 97 175.130 175.522 -0.392 1
1 1061 . 11 1 1 A 97 97 SER CA C 97 58.154 57.720 0.434 1
1 1062 . 11 1 1 A 97 97 SER CB C 97 63.137 60.802 2.335 1
1 1063 . 11 1 1 A 97 97 SER N N 97 121.343 125.411 -4.068 1
1 1064 . 11 1 1 A 98 98 THR H H 98 8.181 7.899 0.282 1
1 1065 . 11 1 1 A 98 98 THR HA H 98 4.549 4.217 0.332 1
1 1070 . 11 1 1 A 98 98 THR C C 98 174.729 174.621 0.108 1
1 1071 . 11 1 1 A 98 98 THR CA C 98 61.603 65.139 -3.536 1
1 1072 . 11 1 1 A 98 98 THR CB C 98 69.890 68.561 1.329 1
1 1074 . 11 1 1 A 98 98 THR N N 98 116.451 116.115 0.336 1
1 1075 . 11 1 1 A 99 99 LEU H H 99 8.033 7.492 0.541 1
1 1076 . 11 1 1 A 99 99 LEU HA H 99 4.234 4.370 -0.136 1
1 1086 . 11 1 1 A 99 99 LEU C C 99 177.349 175.970 1.379 1
1 1087 . 11 1 1 A 99 99 LEU CA C 99 55.517 55.573 -0.056 1
1 1088 . 11 1 1 A 99 99 LEU CB C 99 41.996 42.618 -0.622 1
1 1092 . 11 1 1 A 99 99 LEU N N 99 122.869 122.323 0.546 1
1 1093 . 11 1 1 A 100 100 HIS H H 100 8.558 9.340 -0.782 1
1 1094 . 11 1 1 A 100 100 HIS HA H 100 4.460 4.648 -0.188 1
1 1097 . 11 1 1 A 100 100 HIS C C 100 175.718 175.718 0.000 1
1 1098 . 11 1 1 A 100 100 HIS CA C 100 56.096 57.734 -1.638 1
1 1099 . 11 1 1 A 100 100 HIS CB C 100 29.709 30.597 -0.888 1
1 1100 . 11 1 1 A 100 100 HIS N N 100 120.437 125.600 -5.163 1
1 1101 . 11 1 1 A 101 101 GLY H H 101 8.477 7.545 0.932 1
1 1102 . 11 1 1 A 101 101 GLY HA2 H 101 3.888 4.063 -0.175 1
1 1103 . 11 1 1 A 101 101 GLY HA3 H 101 3.888 4.066 -0.178 1
1 1104 . 11 1 1 A 101 101 GLY C C 101 174.614 171.859 2.755 1
1 1105 . 11 1 1 A 101 101 GLY CA C 101 45.529 45.931 -0.402 1
1 1106 . 11 1 1 A 101 101 GLY N N 101 110.340 103.372 6.968 1
1 7 . 12 1 1 A 2 2 SER H H 2 8.206 8.733 -0.527 1
1 8 . 12 1 1 A 2 2 SER N N 2 126.498 116.460 10.038 1
1 9 . 12 1 1 A 3 3 ASN HA H 3 5.166 4.208 0.958 1
1 12 . 12 1 1 A 3 3 ASN C C 3 175.527 173.946 1.581 1
1 13 . 12 1 1 A 3 3 ASN CA C 3 51.466 54.385 -2.919 1
1 14 . 12 1 1 A 3 3 ASN CB C 3 39.931 36.932 2.999 1
1 15 . 12 1 1 A 4 4 HIS H H 4 8.859 7.400 1.459 1
1 16 . 12 1 1 A 4 4 HIS HA H 4 4.165 4.761 -0.596 1
1 19 . 12 1 1 A 4 4 HIS C C 4 175.897 174.121 1.776 1
1 20 . 12 1 1 A 4 4 HIS CA C 4 56.644 54.590 2.054 1
1 21 . 12 1 1 A 4 4 HIS CB C 4 30.122 32.192 -2.070 1
1 22 . 12 1 1 A 4 4 HIS N N 4 120.656 114.447 6.209 1
1 23 . 12 1 1 A 5 5 ASN H H 5 8.263 8.638 -0.375 1
1 24 . 12 1 1 A 5 5 ASN HA H 5 4.274 5.008 -0.734 1
1 27 . 12 1 1 A 5 5 ASN C C 5 177.939 174.516 3.423 1
1 28 . 12 1 1 A 5 5 ASN CA C 5 57.261 52.889 4.372 1
1 29 . 12 1 1 A 5 5 ASN CB C 5 38.232 38.604 -0.372 1
1 30 . 12 1 1 A 5 5 ASN N N 5 121.699 117.100 4.599 1
1 31 . 12 1 1 A 6 6 HIS H H 6 9.675 8.648 1.027 1
1 32 . 12 1 1 A 6 6 HIS HA H 6 5.261 5.088 0.173 1
1 35 . 12 1 1 A 6 6 HIS C C 6 171.876 173.791 -1.915 1
1 36 . 12 1 1 A 6 6 HIS CA C 6 56.016 54.950 1.066 1
1 37 . 12 1 1 A 6 6 HIS CB C 6 31.324 32.741 -1.417 1
1 38 . 12 1 1 A 6 6 HIS N N 6 117.245 119.748 -2.503 1
1 39 . 12 1 1 A 7 7 ILE H H 7 7.753 8.727 -0.974 1
1 40 . 12 1 1 A 7 7 ILE HA H 7 4.442 4.922 -0.480 1
1 50 . 12 1 1 A 7 7 ILE C C 7 174.518 175.473 -0.955 1
1 51 . 12 1 1 A 7 7 ILE CA C 7 57.922 60.685 -2.763 1
1 52 . 12 1 1 A 7 7 ILE CB C 7 39.790 38.658 1.132 1
1 56 . 12 1 1 A 7 7 ILE N N 7 126.114 125.940 0.174 1
1 57 . 12 1 1 A 8 8 THR H H 8 8.238 8.870 -0.632 1
1 58 . 12 1 1 A 8 8 THR HA H 8 4.733 4.482 0.251 1
1 63 . 12 1 1 A 8 8 THR C C 8 172.672 173.472 -0.800 1
1 64 . 12 1 1 A 8 8 THR CA C 8 62.203 62.423 -0.220 1
1 65 . 12 1 1 A 8 8 THR CB C 8 70.202 68.675 1.527 1
1 67 . 12 1 1 A 8 8 THR N N 8 123.879 123.123 0.756 1
1 68 . 12 1 1 A 9 9 VAL H H 9 8.717 8.273 0.444 1
1 69 . 12 1 1 A 9 9 VAL HA H 9 5.165 4.935 0.230 1
1 77 . 12 1 1 A 9 9 VAL C C 9 173.545 173.756 -0.211 1
1 78 . 12 1 1 A 9 9 VAL CA C 9 59.279 60.373 -1.094 1
1 79 . 12 1 1 A 9 9 VAL CB C 9 33.495 33.976 -0.481 1
1 82 . 12 1 1 A 9 9 VAL N N 9 124.808 126.027 -1.219 1
1 83 . 12 1 1 A 10 10 GLN H H 10 8.863 8.226 0.637 1
1 84 . 12 1 1 A 10 10 GLN HA H 10 4.841 4.909 -0.068 1
1 87 . 12 1 1 A 10 10 GLN C C 10 173.774 173.551 0.223 1
1 88 . 12 1 1 A 10 10 GLN CA C 10 53.092 53.252 -0.160 1
1 89 . 12 1 1 A 10 10 GLN CB C 10 32.226 32.715 -0.489 1
1 91 . 12 1 1 A 10 10 GLN N N 10 123.709 125.272 -1.563 1
1 92 . 12 1 1 A 11 11 PHE H H 11 8.252 8.338 -0.086 1
1 93 . 12 1 1 A 11 11 PHE HA H 11 5.661 5.449 0.212 1
1 96 . 12 1 1 A 11 11 PHE C C 11 175.180 174.794 0.386 1
1 97 . 12 1 1 A 11 11 PHE CA C 11 55.799 56.857 -1.058 1
1 98 . 12 1 1 A 11 11 PHE CB C 11 43.197 43.730 -0.533 1
1 99 . 12 1 1 A 11 11 PHE N N 11 119.002 115.905 3.097 1
1 100 . 12 1 1 A 12 12 ALA H H 12 8.989 8.405 0.584 1
1 101 . 12 1 1 A 12 12 ALA HA H 12 4.971 4.964 0.007 1
1 105 . 12 1 1 A 12 12 ALA C C 12 179.413 177.464 1.949 1
1 106 . 12 1 1 A 12 12 ALA CA C 12 51.675 51.578 0.097 1
1 107 . 12 1 1 A 12 12 ALA CB C 12 23.716 22.593 1.123 1
1 108 . 12 1 1 A 12 12 ALA N N 12 123.388 123.554 -0.166 1
1 109 . 12 1 1 A 13 13 GLY H H 13 9.188 8.807 0.381 1
1 110 . 12 1 1 A 13 13 GLY HA2 H 13 4.477 3.899 0.578 1
1 111 . 12 1 1 A 13 13 GLY HA3 H 13 3.937 3.911 0.026 1
1 112 . 12 1 1 A 13 13 GLY C C 13 173.600 175.193 -1.593 1
1 113 . 12 1 1 A 13 13 GLY CA C 13 46.252 47.010 -0.758 1
1 114 . 12 1 1 A 13 13 GLY N N 13 110.134 112.017 -1.883 1
1 115 . 12 1 1 A 14 14 GLY H H 14 9.510 8.738 0.772 1
1 116 . 12 1 1 A 14 14 GLY HA2 H 14 4.600 4.116 0.484 1
1 117 . 12 1 1 A 14 14 GLY HA3 H 14 3.453 4.119 -0.666 1
1 118 . 12 1 1 A 14 14 GLY C C 14 177.136 174.899 2.237 1
1 119 . 12 1 1 A 14 14 GLY CA C 14 44.792 45.382 -0.590 1
1 120 . 12 1 1 A 14 14 GLY N N 14 109.966 113.620 -3.654 1
1 121 . 12 1 1 A 15 15 CYS H H 15 7.748 8.175 -0.427 1
1 122 . 12 1 1 A 15 15 CYS HA H 15 3.883 4.662 -0.779 1
1 125 . 12 1 1 A 15 15 CYS C C 15 175.011 176.523 -1.512 1
1 126 . 12 1 1 A 15 15 CYS CA C 15 62.034 59.597 2.437 1
1 127 . 12 1 1 A 15 15 CYS N N 15 121.082 119.338 1.744 1
1 128 . 12 1 1 A 16 16 GLU H H 16 7.837 8.257 -0.420 1
1 129 . 12 1 1 A 16 16 GLU HA H 16 4.009 3.712 0.297 1
1 134 . 12 1 1 A 16 16 GLU C C 16 178.419 177.390 1.029 1
1 135 . 12 1 1 A 16 16 GLU CA C 16 58.599 58.869 -0.270 1
1 136 . 12 1 1 A 16 16 GLU CB C 16 27.745 28.565 -0.820 1
1 138 . 12 1 1 A 16 16 GLU N N 16 120.416 118.627 1.789 1
1 139 . 12 1 1 A 17 17 LEU H H 17 7.626 7.855 -0.229 1
1 140 . 12 1 1 A 17 17 LEU HA H 17 3.927 4.154 -0.227 1
1 150 . 12 1 1 A 17 17 LEU C C 17 178.349 177.351 0.998 1
1 151 . 12 1 1 A 17 17 LEU CA C 17 57.105 56.279 0.826 1
1 152 . 12 1 1 A 17 17 LEU CB C 17 40.474 41.641 -1.167 1
1 156 . 12 1 1 A 17 17 LEU N N 17 122.648 120.537 2.111 1
1 157 . 12 1 1 A 18 18 LEU H H 18 7.488 7.404 0.084 1
1 158 . 12 1 1 A 18 18 LEU HA H 18 4.143 4.322 -0.179 1
1 168 . 12 1 1 A 18 18 LEU C C 18 175.859 176.559 -0.700 1
1 169 . 12 1 1 A 18 18 LEU CA C 18 55.729 54.556 1.173 1
1 170 . 12 1 1 A 18 18 LEU CB C 18 40.532 41.440 -0.908 1
1 174 . 12 1 1 A 18 18 LEU N N 18 117.565 117.613 -0.048 1
1 175 . 12 1 1 A 19 19 PHE H H 19 7.164 7.573 -0.409 1
1 176 . 12 1 1 A 19 19 PHE HA H 19 4.395 4.696 -0.301 1
1 179 . 12 1 1 A 19 19 PHE C C 19 176.362 175.295 1.067 1
1 180 . 12 1 1 A 19 19 PHE CA C 19 56.373 58.770 -2.397 1
1 181 . 12 1 1 A 19 19 PHE CB C 19 39.143 40.858 -1.715 1
1 182 . 12 1 1 A 19 19 PHE N N 19 117.899 120.222 -2.323 1
1 183 . 12 1 1 A 20 20 ALA H H 20 8.780 7.489 1.291 1
1 184 . 12 1 1 A 20 20 ALA HA H 20 4.087 4.447 -0.360 1
1 188 . 12 1 1 A 20 20 ALA C C 20 176.512 177.445 -0.933 1
1 189 . 12 1 1 A 20 20 ALA CA C 20 53.279 51.376 1.903 1
1 190 . 12 1 1 A 20 20 ALA CB C 20 17.047 19.220 -2.173 1
1 191 . 12 1 1 A 20 20 ALA N N 20 123.417 119.469 3.948 1
1 192 . 12 1 1 A 21 21 LYS H H 21 7.825 8.000 -0.175 1
1 193 . 12 1 1 A 21 21 LYS HA H 21 3.181 3.793 -0.612 1
1 202 . 12 1 1 A 21 21 LYS C C 21 175.295 175.523 -0.228 1
1 203 . 12 1 1 A 21 21 LYS CA C 21 58.666 57.413 1.253 1
1 204 . 12 1 1 A 21 21 LYS CB C 21 29.784 29.398 0.386 1
1 208 . 12 1 1 A 21 21 LYS N N 21 108.448 112.544 -4.096 1
1 209 . 12 1 1 A 22 22 GLN H H 22 7.611 8.083 -0.472 1
1 210 . 12 1 1 A 22 22 GLN HA H 22 4.429 4.407 0.022 1
1 215 . 12 1 1 A 22 22 GLN C C 22 174.967 177.122 -2.155 1
1 216 . 12 1 1 A 22 22 GLN CA C 22 56.105 56.117 -0.012 1
1 217 . 12 1 1 A 22 22 GLN CB C 22 29.548 29.357 0.191 1
1 219 . 12 1 1 A 22 22 GLN N N 22 120.482 118.469 2.013 1
1 220 . 12 1 1 A 23 23 THR H H 23 8.201 8.674 -0.473 1
1 221 . 12 1 1 A 23 23 THR HA H 23 4.491 4.351 0.140 1
1 226 . 12 1 1 A 23 23 THR C C 23 175.012 175.022 -0.010 1
1 227 . 12 1 1 A 23 23 THR CA C 23 62.436 63.759 -1.323 1
1 228 . 12 1 1 A 23 23 THR CB C 23 69.501 68.546 0.955 1
1 229 . 12 1 1 A 23 23 THR N N 23 110.354 115.833 -5.479 1
1 230 . 12 1 1 A 24 24 SER H H 24 7.751 7.901 -0.150 1
1 231 . 12 1 1 A 24 24 SER HA H 24 5.136 4.887 0.249 1
1 234 . 12 1 1 A 24 24 SER C C 24 172.623 172.601 0.022 1
1 235 . 12 1 1 A 24 24 SER CA C 24 57.192 56.833 0.359 1
1 236 . 12 1 1 A 24 24 SER CB C 24 65.459 66.806 -1.347 1
1 237 . 12 1 1 A 24 24 SER N N 24 114.575 114.315 0.260 1
1 238 . 12 1 1 A 25 25 LEU H H 25 9.272 8.676 0.596 1
1 239 . 12 1 1 A 25 25 LEU HA H 25 4.531 5.023 -0.492 1
1 249 . 12 1 1 A 25 25 LEU C C 25 174.436 175.181 -0.745 1
1 250 . 12 1 1 A 25 25 LEU CA C 25 53.929 53.801 0.128 1
1 251 . 12 1 1 A 25 25 LEU CB C 25 45.561 46.759 -1.198 1
1 255 . 12 1 1 A 25 25 LEU N N 25 124.288 121.538 2.750 1
1 256 . 12 1 1 A 26 26 GLN H H 26 8.573 8.758 -0.185 1
1 257 . 12 1 1 A 26 26 GLN HA H 26 4.607 5.531 -0.924 1
1 262 . 12 1 1 A 26 26 GLN C C 26 173.250 174.895 -1.645 1
1 263 . 12 1 1 A 26 26 GLN CA C 26 54.207 54.443 -0.236 1
1 264 . 12 1 1 A 26 26 GLN CB C 26 27.813 31.492 -3.679 1
1 266 . 12 1 1 A 26 26 GLN N N 26 122.971 120.570 2.401 1
1 267 . 12 1 1 A 27 27 LEU H H 27 8.753 9.019 -0.266 1
1 268 . 12 1 1 A 27 27 LEU HA H 27 4.414 5.034 -0.620 1
1 272 . 12 1 1 A 27 27 LEU C C 27 175.313 175.519 -0.206 1
1 273 . 12 1 1 A 27 27 LEU CA C 27 53.132 53.429 -0.297 1
1 274 . 12 1 1 A 27 27 LEU CB C 27 40.489 44.184 -3.695 1
1 278 . 12 1 1 A 27 27 LEU N N 27 126.504 126.504 0.000 1
1 279 . 12 1 1 A 28 28 ASP H H 28 8.568 8.901 -0.333 1
1 280 . 12 1 1 A 28 28 ASP HA H 28 4.414 5.556 -1.142 1
1 283 . 12 1 1 A 28 28 ASP C C 28 176.147 176.270 -0.123 1
1 284 . 12 1 1 A 28 28 ASP CA C 28 53.407 52.361 1.046 1
1 285 . 12 1 1 A 28 28 ASP CB C 28 40.535 44.146 -3.611 1
1 286 . 12 1 1 A 28 28 ASP N N 28 112.805 121.869 -9.064 1
1 287 . 12 1 1 A 29 29 GLY H H 29 7.770 8.269 -0.499 1
1 288 . 12 1 1 A 29 29 GLY HA2 H 29 3.942 4.305 -0.363 1
1 289 . 12 1 1 A 29 29 GLY HA3 H 29 3.806 4.311 -0.505 1
1 290 . 12 1 1 A 29 29 GLY C C 29 174.455 172.911 1.544 1
1 291 . 12 1 1 A 29 29 GLY CA C 29 47.297 45.893 1.404 1
1 292 . 12 1 1 A 29 29 GLY N N 29 129.863 108.902 20.961 1
1 293 . 12 1 1 A 30 30 VAL H H 30 7.792 8.465 -0.673 1
1 294 . 12 1 1 A 30 30 VAL HA H 30 4.391 4.269 0.122 1
1 302 . 12 1 1 A 30 30 VAL C C 30 174.315 176.439 -2.124 1
1 303 . 12 1 1 A 30 30 VAL CA C 30 62.180 62.132 0.048 1
1 304 . 12 1 1 A 30 30 VAL CB C 30 35.931 33.348 2.583 1
1 307 . 12 1 1 A 30 30 VAL N N 30 112.711 116.183 -3.472 1
1 308 . 12 1 1 A 31 31 VAL H H 31 8.748 7.909 0.839 1
1 309 . 12 1 1 A 31 31 VAL C C 31 172.882 174.396 -1.514 1
1 310 . 12 1 1 A 31 31 VAL CA C 31 62.284 59.230 3.054 1
1 311 . 12 1 1 A 31 31 VAL CB C 31 33.804 31.780 2.024 1
1 312 . 12 1 1 A 31 31 VAL N N 31 123.316 120.754 2.562 1
1 313 . 12 1 1 A 32 32 PRO HA H 32 5.038 4.530 0.508 1
1 320 . 12 1 1 A 32 32 PRO C C 32 179.633 176.524 3.109 1
1 321 . 12 1 1 A 32 32 PRO CA C 32 63.073 63.589 -0.516 1
1 322 . 12 1 1 A 32 32 PRO CB C 32 32.421 32.539 -0.118 1
1 325 . 12 1 1 A 33 33 THR H H 33 8.739 7.558 1.181 1
1 326 . 12 1 1 A 33 33 THR HA H 33 3.896 4.172 -0.276 1
1 331 . 12 1 1 A 33 33 THR C C 33 174.735 175.992 -1.257 1
1 332 . 12 1 1 A 33 33 THR CA C 33 64.329 64.100 0.229 1
1 333 . 12 1 1 A 33 33 THR CB C 33 67.929 69.534 -1.605 1
1 335 . 12 1 1 A 33 33 THR N N 33 120.858 114.655 6.203 1
1 336 . 12 1 1 A 34 34 GLY H H 34 8.303 8.959 -0.656 1
1 337 . 12 1 1 A 34 34 GLY HA2 H 34 4.359 3.875 0.484 1
1 338 . 12 1 1 A 34 34 GLY HA3 H 34 3.451 3.882 -0.431 1
1 339 . 12 1 1 A 34 34 GLY C C 34 174.037 173.641 0.396 1
1 340 . 12 1 1 A 34 34 GLY CA C 34 45.067 46.074 -1.007 1
1 341 . 12 1 1 A 34 34 GLY N N 34 114.645 113.161 1.484 1
1 342 . 12 1 1 A 35 35 THR H H 35 7.405 7.794 -0.389 1
1 343 . 12 1 1 A 35 35 THR HA H 35 4.073 4.780 -0.707 1
1 348 . 12 1 1 A 35 35 THR C C 35 174.540 173.692 0.848 1
1 349 . 12 1 1 A 35 35 THR CA C 35 65.137 61.244 3.893 1
1 350 . 12 1 1 A 35 35 THR CB C 35 69.484 72.033 -2.549 1
1 352 . 12 1 1 A 35 35 THR N N 35 117.340 114.746 2.594 1
1 353 . 12 1 1 A 36 36 ASN H H 36 8.836 8.360 0.476 1
1 354 . 12 1 1 A 36 36 ASN HA H 36 5.686 5.324 0.362 1
1 357 . 12 1 1 A 36 36 ASN C C 36 176.512 175.822 0.690 1
1 358 . 12 1 1 A 36 36 ASN CA C 36 50.439 50.714 -0.275 1
1 359 . 12 1 1 A 36 36 ASN CB C 36 40.274 40.166 0.108 1
1 360 . 12 1 1 A 36 36 ASN N N 36 127.379 124.069 3.310 1
1 361 . 12 1 1 A 37 37 LEU H H 37 8.045 8.830 -0.785 1
1 362 . 12 1 1 A 37 37 LEU HA H 37 4.142 4.083 0.059 1
1 372 . 12 1 1 A 37 37 LEU C C 37 178.931 178.109 0.822 1
1 373 . 12 1 1 A 37 37 LEU CA C 37 59.274 58.545 0.729 1
1 374 . 12 1 1 A 37 37 LEU CB C 37 42.159 41.268 0.891 1
1 378 . 12 1 1 A 37 37 LEU N N 37 119.164 120.349 -1.185 1
1 379 . 12 1 1 A 38 38 ASN H H 38 7.959 8.251 -0.292 1
1 380 . 12 1 1 A 38 38 ASN HA H 38 4.502 4.410 0.092 1
1 383 . 12 1 1 A 38 38 ASN C C 38 178.691 178.143 0.548 1
1 384 . 12 1 1 A 38 38 ASN CA C 38 57.080 56.536 0.544 1
1 385 . 12 1 1 A 38 38 ASN CB C 38 38.367 38.803 -0.436 1
1 386 . 12 1 1 A 38 38 ASN N N 38 118.522 117.118 1.404 1
1 387 . 12 1 1 A 39 39 GLY H H 39 8.828 8.285 0.543 1
1 388 . 12 1 1 A 39 39 GLY HA2 H 39 4.088 3.696 0.392 1
1 389 . 12 1 1 A 39 39 GLY HA3 H 39 3.911 3.697 0.214 1
1 390 . 12 1 1 A 39 39 GLY C C 39 177.320 175.614 1.706 1
1 391 . 12 1 1 A 39 39 GLY CA C 39 46.879 47.144 -0.265 1
1 392 . 12 1 1 A 39 39 GLY N N 39 109.615 107.260 2.355 1
1 393 . 12 1 1 A 40 40 LEU H H 40 8.829 8.155 0.674 1
1 394 . 12 1 1 A 40 40 LEU HA H 40 4.504 4.076 0.428 1
1 404 . 12 1 1 A 40 40 LEU C C 40 177.788 179.062 -1.274 1
1 405 . 12 1 1 A 40 40 LEU CA C 40 57.770 57.895 -0.125 1
1 406 . 12 1 1 A 40 40 LEU CB C 40 41.713 42.129 -0.416 1
1 410 . 12 1 1 A 40 40 LEU N N 40 125.884 123.130 2.754 1
1 411 . 12 1 1 A 41 41 VAL H H 41 8.333 8.069 0.264 1
1 412 . 12 1 1 A 41 41 VAL HA H 41 3.328 3.870 -0.542 1
1 420 . 12 1 1 A 41 41 VAL C C 41 177.556 177.778 -0.222 1
1 421 . 12 1 1 A 41 41 VAL CA C 41 67.977 65.369 2.608 1
1 422 . 12 1 1 A 41 41 VAL CB C 41 31.080 31.338 -0.258 1
1 425 . 12 1 1 A 41 41 VAL N N 41 120.213 114.613 5.600 1
1 426 . 12 1 1 A 42 42 GLN H H 42 7.672 8.183 -0.511 1
1 427 . 12 1 1 A 42 42 GLN HA H 42 3.866 4.067 -0.201 1
1 432 . 12 1 1 A 42 42 GLN C C 42 177.980 178.091 -0.111 1
1 433 . 12 1 1 A 42 42 GLN CA C 42 58.694 58.639 0.055 1
1 434 . 12 1 1 A 42 42 GLN CB C 42 27.809 28.924 -1.115 1
1 436 . 12 1 1 A 42 42 GLN N N 42 116.386 122.064 -5.678 1
1 437 . 12 1 1 A 43 43 LEU H H 43 8.080 7.473 0.607 1
1 438 . 12 1 1 A 43 43 LEU HA H 43 4.225 4.172 0.053 1
1 448 . 12 1 1 A 43 43 LEU C C 43 179.999 178.509 1.490 1
1 449 . 12 1 1 A 43 43 LEU CA C 43 58.275 57.036 1.239 1
1 450 . 12 1 1 A 43 43 LEU CB C 43 43.046 42.157 0.889 1
1 454 . 12 1 1 A 43 43 LEU N N 43 122.204 120.737 1.467 1
1 455 . 12 1 1 A 44 44 LEU H H 44 8.810 7.870 0.940 1
1 456 . 12 1 1 A 44 44 LEU HA H 44 4.384 4.339 0.045 1
1 466 . 12 1 1 A 44 44 LEU C C 44 179.311 179.126 0.185 1
1 467 . 12 1 1 A 44 44 LEU CA C 44 58.397 57.449 0.948 1
1 468 . 12 1 1 A 44 44 LEU CB C 44 41.553 42.510 -0.957 1
1 472 . 12 1 1 A 44 44 LEU N N 44 119.371 118.034 1.337 1
1 473 . 12 1 1 A 45 45 LYS H H 45 8.652 8.364 0.288 1
1 474 . 12 1 1 A 45 45 LYS HA H 45 3.678 4.204 -0.526 1
1 483 . 12 1 1 A 45 45 LYS C C 45 177.005 179.060 -2.055 1
1 484 . 12 1 1 A 45 45 LYS CA C 45 60.016 59.026 0.990 1
1 485 . 12 1 1 A 45 45 LYS CB C 45 32.411 32.261 0.150 1
1 489 . 12 1 1 A 45 45 LYS N N 45 120.434 119.827 0.607 1
1 490 . 12 1 1 A 46 46 THR H H 46 8.180 8.204 -0.024 1
1 491 . 12 1 1 A 46 46 THR HA H 46 4.027 4.066 -0.039 1
1 496 . 12 1 1 A 46 46 THR C C 46 176.217 176.642 -0.425 1
1 497 . 12 1 1 A 46 46 THR CA C 46 65.173 66.087 -0.914 1
1 498 . 12 1 1 A 46 46 THR CB C 46 69.680 68.766 0.914 1
1 500 . 12 1 1 A 46 46 THR N N 46 109.149 116.089 -6.940 1
1 501 . 12 1 1 A 47 47 ASN H H 47 8.170 8.316 -0.146 1
1 502 . 12 1 1 A 47 47 ASN HA H 47 4.785 4.709 0.076 1
1 505 . 12 1 1 A 47 47 ASN C C 47 175.267 175.457 -0.190 1
1 506 . 12 1 1 A 47 47 ASN CA C 47 54.213 55.755 -1.542 1
1 507 . 12 1 1 A 47 47 ASN CB C 47 40.712 39.207 1.505 1
1 508 . 12 1 1 A 47 47 ASN N N 47 116.045 119.596 -3.551 1
1 509 . 12 1 1 A 48 48 TYR H H 48 8.094 7.536 0.558 1
1 510 . 12 1 1 A 48 48 TYR HA H 48 4.695 4.554 0.141 1
1 513 . 12 1 1 A 48 48 TYR C C 48 175.011 175.544 -0.533 1
1 514 . 12 1 1 A 48 48 TYR CA C 48 60.273 60.065 0.208 1
1 515 . 12 1 1 A 48 48 TYR CB C 48 41.189 39.042 2.147 1
1 516 . 12 1 1 A 48 48 TYR N N 48 115.849 116.888 -1.039 1
1 517 . 12 1 1 A 49 49 VAL H H 49 7.769 8.170 -0.401 1
1 518 . 12 1 1 A 49 49 VAL HA H 49 3.715 3.853 -0.138 1
1 526 . 12 1 1 A 49 49 VAL C C 49 176.157 176.775 -0.618 1
1 527 . 12 1 1 A 49 49 VAL CA C 49 63.454 63.040 0.414 1
1 528 . 12 1 1 A 49 49 VAL CB C 49 31.695 29.947 1.748 1
1 531 . 12 1 1 A 49 49 VAL N N 49 120.510 118.639 1.871 1
1 532 . 12 1 1 A 50 50 LYS H H 50 8.334 8.063 0.271 1
1 533 . 12 1 1 A 50 50 LYS HA H 50 4.242 4.026 0.216 1
1 542 . 12 1 1 A 50 50 LYS C C 50 176.562 176.777 -0.215 1
1 543 . 12 1 1 A 50 50 LYS CA C 50 55.979 58.996 -3.017 1
1 544 . 12 1 1 A 50 50 LYS CB C 50 32.822 32.252 0.570 1
1 548 . 12 1 1 A 50 50 LYS N N 50 125.933 123.365 2.568 1
1 549 . 12 1 1 A 51 51 GLU H H 51 7.598 7.808 -0.210 1
1 550 . 12 1 1 A 51 51 GLU HA H 51 4.328 4.445 -0.117 1
1 553 . 12 1 1 A 51 51 GLU C C 51 172.975 175.858 -2.883 1
1 554 . 12 1 1 A 51 51 GLU CA C 51 55.074 55.331 -0.257 1
1 555 . 12 1 1 A 51 51 GLU CB C 51 32.633 31.234 1.399 1
1 557 . 12 1 1 A 51 51 GLU N N 51 117.804 120.918 -3.114 1
1 558 . 12 1 1 A 52 52 ARG H H 52 8.383 8.483 -0.100 1
1 559 . 12 1 1 A 52 52 ARG CA C 52 53.279 54.621 -1.342 1
1 560 . 12 1 1 A 52 52 ARG CB C 52 26.615 30.315 -3.700 1
1 561 . 12 1 1 A 52 52 ARG N N 52 111.793 123.271 -11.478 1
1 562 . 12 1 1 A 53 53 PRO HA H 53 4.029 4.313 -0.284 1
1 569 . 12 1 1 A 53 53 PRO C C 53 177.018 177.449 -0.431 1
1 570 . 12 1 1 A 53 53 PRO CA C 53 65.474 65.283 0.191 1
1 571 . 12 1 1 A 53 53 PRO CB C 53 30.916 31.935 -1.019 1
1 574 . 12 1 1 A 53 53 PRO N N 53 111.793 139.386 -27.593 1
1 575 . 12 1 1 A 54 54 ASP H H 54 8.462 8.599 -0.137 1
1 576 . 12 1 1 A 54 54 ASP HA H 54 4.345 4.686 -0.341 1
1 579 . 12 1 1 A 54 54 ASP C C 54 176.493 177.241 -0.748 1
1 580 . 12 1 1 A 54 54 ASP CA C 54 54.982 54.391 0.591 1
1 581 . 12 1 1 A 54 54 ASP CB C 54 39.451 41.283 -1.832 1
1 582 . 12 1 1 A 54 54 ASP N N 54 113.848 116.765 -2.917 1
1 583 . 12 1 1 A 55 55 LEU H H 55 7.766 8.128 -0.362 1
1 584 . 12 1 1 A 55 55 LEU HA H 55 4.235 4.102 0.133 1
1 594 . 12 1 1 A 55 55 LEU C C 55 175.873 178.663 -2.790 1
1 595 . 12 1 1 A 55 55 LEU CA C 55 55.305 57.470 -2.165 1
1 596 . 12 1 1 A 55 55 LEU CB C 55 41.271 41.901 -0.630 1
1 600 . 12 1 1 A 55 55 LEU N N 55 117.721 117.569 0.152 1
1 601 . 12 1 1 A 56 56 LEU H H 56 7.630 7.663 -0.033 1
1 602 . 12 1 1 A 56 56 LEU HA H 56 4.552 4.339 0.213 1
1 612 . 12 1 1 A 56 56 LEU C C 56 175.341 177.023 -1.682 1
1 613 . 12 1 1 A 56 56 LEU CA C 56 55.516 56.416 -0.900 1
1 614 . 12 1 1 A 56 56 LEU CB C 56 44.910 42.610 2.300 1
1 618 . 12 1 1 A 56 56 LEU N N 56 118.796 116.766 2.030 1
1 619 . 12 1 1 A 57 57 VAL H H 57 7.206 7.322 -0.116 1
1 620 . 12 1 1 A 57 57 VAL HA H 57 5.048 3.971 1.077 1
1 628 . 12 1 1 A 57 57 VAL C C 57 175.020 176.024 -1.004 1
1 629 . 12 1 1 A 57 57 VAL CA C 57 58.550 62.103 -3.553 1
1 630 . 12 1 1 A 57 57 VAL CB C 57 35.049 32.562 2.487 1
1 633 . 12 1 1 A 57 57 VAL N N 57 106.872 119.609 -12.737 1
1 634 . 12 1 1 A 58 58 ASP H H 58 8.447 9.347 -0.900 1
1 635 . 12 1 1 A 58 58 ASP HA H 58 4.459 4.287 0.172 1
1 638 . 12 1 1 A 58 58 ASP C C 58 177.406 176.866 0.540 1
1 639 . 12 1 1 A 58 58 ASP CA C 58 53.130 56.816 -3.686 1
1 640 . 12 1 1 A 58 58 ASP CB C 58 40.985 41.445 -0.460 1
1 641 . 12 1 1 A 58 58 ASP N N 58 118.741 123.900 -5.159 1
1 642 . 12 1 1 A 59 59 GLN H H 59 8.883 7.861 1.022 1
1 643 . 12 1 1 A 59 59 GLN HA H 59 4.031 4.598 -0.567 1
1 648 . 12 1 1 A 59 59 GLN C C 59 177.499 176.581 0.918 1
1 649 . 12 1 1 A 59 59 GLN CA C 59 59.120 57.301 1.819 1
1 650 . 12 1 1 A 59 59 GLN CB C 59 28.389 31.396 -3.007 1
1 652 . 12 1 1 A 59 59 GLN N N 59 119.603 117.230 2.373 1
1 653 . 12 1 1 A 60 60 THR H H 60 8.060 8.099 -0.039 1
1 654 . 12 1 1 A 60 60 THR HA H 60 4.296 4.438 -0.142 1
1 659 . 12 1 1 A 60 60 THR C C 60 176.363 175.225 1.138 1
1 660 . 12 1 1 A 60 60 THR CA C 60 63.358 62.102 1.256 1
1 661 . 12 1 1 A 60 60 THR CB C 60 70.577 69.178 1.399 1
1 663 . 12 1 1 A 60 60 THR N N 60 109.323 108.600 0.723 1
1 664 . 12 1 1 A 61 61 GLY H H 61 8.001 8.017 -0.016 1
1 665 . 12 1 1 A 61 61 GLY HA2 H 61 4.173 3.887 0.286 1
1 666 . 12 1 1 A 61 61 GLY HA3 H 61 3.610 3.889 -0.279 1
1 667 . 12 1 1 A 61 61 GLY C C 61 174.049 174.257 -0.208 1
1 668 . 12 1 1 A 61 61 GLY CA C 61 45.301 46.525 -1.224 1
1 669 . 12 1 1 A 61 61 GLY N N 61 109.323 110.661 -1.338 1
1 670 . 12 1 1 A 62 62 GLN H H 62 8.091 7.988 0.103 1
1 671 . 12 1 1 A 62 62 GLN HA H 62 4.172 4.648 -0.476 1
1 674 . 12 1 1 A 62 62 GLN C C 62 175.201 175.106 0.095 1
1 675 . 12 1 1 A 62 62 GLN CA C 62 56.474 56.967 -0.493 1
1 676 . 12 1 1 A 62 62 GLN CB C 62 30.618 31.576 -0.958 1
1 678 . 12 1 1 A 62 62 GLN N N 62 117.247 119.414 -2.167 1
1 679 . 12 1 1 A 63 63 THR H H 63 7.740 7.921 -0.181 1
1 680 . 12 1 1 A 63 63 THR HA H 63 4.624 4.736 -0.112 1
1 685 . 12 1 1 A 63 63 THR C C 63 172.622 173.888 -1.266 1
1 686 . 12 1 1 A 63 63 THR CA C 63 59.718 60.021 -0.303 1
1 687 . 12 1 1 A 63 63 THR CB C 63 70.832 70.975 -0.143 1
1 689 . 12 1 1 A 63 63 THR N N 63 113.860 112.989 0.871 1
1 690 . 12 1 1 A 64 64 LEU H H 64 8.364 8.335 0.029 1
1 691 . 12 1 1 A 64 64 LEU HA H 64 4.324 4.295 0.029 1
1 701 . 12 1 1 A 64 64 LEU C C 64 176.311 177.017 -0.706 1
1 702 . 12 1 1 A 64 64 LEU CA C 64 55.025 55.375 -0.350 1
1 703 . 12 1 1 A 64 64 LEU CB C 64 43.871 42.231 1.640 1
1 707 . 12 1 1 A 64 64 LEU N N 64 123.689 128.499 -4.810 1
1 708 . 12 1 1 A 65 65 ARG H H 65 8.192 9.106 -0.914 1
1 709 . 12 1 1 A 65 65 ARG C C 65 173.609 176.568 -2.959 1
1 710 . 12 1 1 A 65 65 ARG CA C 65 55.287 55.416 -0.129 1
1 711 . 12 1 1 A 65 65 ARG CB C 65 29.681 30.313 -0.632 1
1 712 . 12 1 1 A 65 65 ARG N N 65 126.639 121.956 4.683 1
1 713 . 12 1 1 A 66 66 PRO HA H 66 4.390 4.268 0.122 1
1 720 . 12 1 1 A 66 66 PRO C C 66 177.030 179.096 -2.066 1
1 721 . 12 1 1 A 66 66 PRO CA C 66 63.719 65.408 -1.689 1
1 722 . 12 1 1 A 66 66 PRO CB C 66 31.825 31.787 0.038 1
1 725 . 12 1 1 A 66 66 PRO N N 66 126.639 135.994 -9.355 1
1 726 . 12 1 1 A 67 67 GLY H H 67 8.744 8.485 0.259 1
1 727 . 12 1 1 A 67 67 GLY HA2 H 67 4.232 3.918 0.314 1
1 728 . 12 1 1 A 67 67 GLY HA3 H 67 3.544 3.919 -0.375 1
1 729 . 12 1 1 A 67 67 GLY C C 67 174.319 174.830 -0.511 1
1 730 . 12 1 1 A 67 67 GLY CA C 67 44.818 47.067 -2.249 1
1 731 . 12 1 1 A 68 68 ILE H H 68 7.522 7.376 0.146 1
1 732 . 12 1 1 A 68 68 ILE HA H 68 4.690 4.445 0.245 1
1 742 . 12 1 1 A 68 68 ILE C C 68 174.703 175.590 -0.887 1
1 743 . 12 1 1 A 68 68 ILE CA C 68 61.047 60.753 0.294 1
1 744 . 12 1 1 A 68 68 ILE CB C 68 38.090 37.917 0.173 1
1 748 . 12 1 1 A 68 68 ILE N N 68 121.049 120.677 0.372 1
1 749 . 12 1 1 A 69 69 LEU H H 69 9.207 9.643 -0.436 1
1 750 . 12 1 1 A 69 69 LEU HA H 69 4.449 4.929 -0.480 1
1 760 . 12 1 1 A 69 69 LEU C C 69 174.991 176.078 -1.087 1
1 761 . 12 1 1 A 69 69 LEU CA C 69 54.106 53.654 0.452 1
1 762 . 12 1 1 A 69 69 LEU CB C 69 43.588 42.236 1.352 1
1 766 . 12 1 1 A 69 69 LEU N N 69 131.197 129.108 2.089 1
1 767 . 12 1 1 A 70 70 VAL H H 70 8.149 8.580 -0.431 1
1 768 . 12 1 1 A 70 70 VAL HA H 70 4.955 4.750 0.205 1
1 776 . 12 1 1 A 70 70 VAL C C 70 175.167 175.315 -0.148 1
1 777 . 12 1 1 A 70 70 VAL CA C 70 59.928 61.542 -1.614 1
1 778 . 12 1 1 A 70 70 VAL CB C 70 33.239 32.887 0.352 1
1 781 . 12 1 1 A 70 70 VAL N N 70 121.953 123.789 -1.836 1
1 782 . 12 1 1 A 71 71 LEU H H 71 8.881 8.199 0.682 1
1 783 . 12 1 1 A 71 71 LEU HA H 71 4.922 5.122 -0.200 1
1 793 . 12 1 1 A 71 71 LEU C C 71 176.487 175.418 1.069 1
1 794 . 12 1 1 A 71 71 LEU CA C 71 52.627 53.528 -0.901 1
1 795 . 12 1 1 A 71 71 LEU CB C 71 44.487 45.948 -1.461 1
1 799 . 12 1 1 A 71 71 LEU N N 71 126.071 126.087 -0.016 1
1 800 . 12 1 1 A 72 72 VAL H H 72 9.048 9.023 0.025 1
1 801 . 12 1 1 A 72 72 VAL HA H 72 4.351 4.801 -0.450 1
1 809 . 12 1 1 A 72 72 VAL C C 72 176.078 175.870 0.208 1
1 810 . 12 1 1 A 72 72 VAL CA C 72 60.886 61.173 -0.287 1
1 811 . 12 1 1 A 72 72 VAL CB C 72 33.141 33.572 -0.431 1
1 814 . 12 1 1 A 72 72 VAL N N 72 120.969 124.169 -3.200 1
1 815 . 12 1 1 A 73 73 ASN H H 73 9.630 9.401 0.229 1
1 816 . 12 1 1 A 73 73 ASN HA H 73 4.335 4.340 -0.005 1
1 821 . 12 1 1 A 73 73 ASN C C 73 175.496 174.432 1.064 1
1 822 . 12 1 1 A 73 73 ASN CA C 73 54.736 54.594 0.142 1
1 823 . 12 1 1 A 73 73 ASN CB C 73 36.825 36.849 -0.024 1
1 824 . 12 1 1 A 73 73 ASN N N 73 129.082 127.558 1.524 1
1 825 . 12 1 1 A 74 74 SER H H 74 9.308 8.452 0.856 1
1 826 . 12 1 1 A 74 74 SER C C 74 172.584 172.726 -0.142 1
1 827 . 12 1 1 A 74 74 SER N N 74 106.084 105.372 0.712 1
1 828 . 12 1 1 A 75 75 CYS H H 75 7.845 7.595 0.250 1
1 829 . 12 1 1 A 75 75 CYS C C 75 176.045 172.775 3.270 1
1 830 . 12 1 1 A 75 75 CYS CA C 75 57.152 58.228 -1.076 1
1 831 . 12 1 1 A 75 75 CYS CB C 75 29.101 31.263 -2.162 1
1 832 . 12 1 1 A 75 75 CYS N N 75 120.460 117.725 2.735 1
1 833 . 12 1 1 A 76 76 ASP H H 76 8.766 8.546 0.220 1
1 834 . 12 1 1 A 76 76 ASP HA H 76 4.295 4.531 -0.236 1
1 837 . 12 1 1 A 76 76 ASP C C 76 177.713 177.651 0.062 1
1 838 . 12 1 1 A 76 76 ASP CA C 76 55.721 55.037 0.684 1
1 839 . 12 1 1 A 76 76 ASP CB C 76 41.513 40.763 0.750 1
1 840 . 12 1 1 A 76 76 ASP N N 76 126.661 124.076 2.585 1
1 841 . 12 1 1 A 77 77 ALA H H 77 8.555 8.983 -0.428 1
1 842 . 12 1 1 A 77 77 ALA HA H 77 3.688 3.916 -0.228 1
1 846 . 12 1 1 A 77 77 ALA C C 77 180.149 179.306 0.843 1
1 847 . 12 1 1 A 77 77 ALA CA C 77 54.334 54.597 -0.263 1
1 848 . 12 1 1 A 77 77 ALA CB C 77 18.453 18.392 0.061 1
1 849 . 12 1 1 A 77 77 ALA N N 77 128.302 126.480 1.822 1
1 850 . 12 1 1 A 78 78 GLU H H 78 9.034 7.728 1.306 1
1 851 . 12 1 1 A 78 78 GLU HA H 78 3.763 4.163 -0.400 1
1 856 . 12 1 1 A 78 78 GLU C C 78 179.359 179.285 0.074 1
1 857 . 12 1 1 A 78 78 GLU CA C 78 59.569 58.952 0.617 1
1 858 . 12 1 1 A 78 78 GLU CB C 78 29.511 29.094 0.417 1
1 860 . 12 1 1 A 78 78 GLU N N 78 117.499 118.331 -0.832 1
1 861 . 12 1 1 A 79 79 VAL H H 79 7.753 7.816 -0.063 1
1 862 . 12 1 1 A 79 79 VAL HA H 79 3.927 3.658 0.269 1
1 870 . 12 1 1 A 79 79 VAL C C 79 177.408 178.043 -0.635 1
1 871 . 12 1 1 A 79 79 VAL CA C 79 64.439 66.190 -1.751 1
1 872 . 12 1 1 A 79 79 VAL CB C 79 31.904 31.569 0.335 1
1 875 . 12 1 1 A 79 79 VAL N N 79 115.536 121.420 -5.884 1
1 876 . 12 1 1 A 80 80 VAL H H 80 7.123 7.243 -0.120 1
1 877 . 12 1 1 A 80 80 VAL HA H 80 4.443 4.008 0.435 1
1 885 . 12 1 1 A 80 80 VAL C C 80 175.020 177.139 -2.119 1
1 886 . 12 1 1 A 80 80 VAL CA C 80 60.286 64.981 -4.695 1
1 887 . 12 1 1 A 80 80 VAL CB C 80 30.948 31.379 -0.431 1
1 890 . 12 1 1 A 80 80 VAL N N 80 109.738 116.381 -6.643 1
1 891 . 12 1 1 A 81 81 GLY H H 81 7.210 7.405 -0.195 1
1 892 . 12 1 1 A 81 81 GLY HA2 H 81 4.511 4.136 0.375 1
1 893 . 12 1 1 A 81 81 GLY HA3 H 81 3.664 4.196 -0.532 1
1 894 . 12 1 1 A 81 81 GLY C C 81 175.262 175.671 -0.409 1
1 895 . 12 1 1 A 81 81 GLY CA C 81 44.964 45.764 -0.800 1
1 896 . 12 1 1 A 81 81 GLY N N 81 106.697 109.278 -2.581 1
1 897 . 12 1 1 A 82 82 GLY H H 82 8.673 8.489 0.184 1
1 898 . 12 1 1 A 82 82 GLY HA2 H 82 4.022 3.961 0.061 1
1 899 . 12 1 1 A 82 82 GLY HA3 H 82 3.150 3.964 -0.814 1
1 900 . 12 1 1 A 82 82 GLY C C 82 174.547 174.390 0.157 1
1 901 . 12 1 1 A 82 82 GLY CA C 82 45.151 46.648 -1.497 1
1 902 . 12 1 1 A 82 82 GLY N N 82 111.931 108.923 3.008 1
1 903 . 12 1 1 A 83 83 MET H H 83 8.841 8.525 0.316 1
1 904 . 12 1 1 A 83 83 MET HA H 83 4.582 4.124 0.458 1
1 909 . 12 1 1 A 83 83 MET C C 83 176.001 174.495 1.506 1
1 910 . 12 1 1 A 83 83 MET CA C 83 55.737 57.175 -1.438 1
1 911 . 12 1 1 A 83 83 MET CB C 83 30.273 31.345 -1.072 1
1 913 . 12 1 1 A 83 83 MET N N 83 119.840 110.494 9.346 1
1 914 . 12 1 1 A 84 84 ASP H H 84 7.395 8.080 -0.685 1
1 915 . 12 1 1 A 84 84 ASP HA H 84 4.695 4.911 -0.216 1
1 918 . 12 1 1 A 84 84 ASP C C 84 176.694 174.809 1.885 1
1 919 . 12 1 1 A 84 84 ASP CA C 84 54.300 53.281 1.019 1
1 920 . 12 1 1 A 84 84 ASP CB C 84 41.551 41.822 -0.271 1
1 921 . 12 1 1 A 84 84 ASP N N 84 114.478 117.726 -3.248 1
1 922 . 12 1 1 A 85 85 TYR H H 85 7.930 8.116 -0.186 1
1 923 . 12 1 1 A 85 85 TYR HA H 85 4.148 4.887 -0.739 1
1 926 . 12 1 1 A 85 85 TYR C C 85 173.845 175.360 -1.515 1
1 927 . 12 1 1 A 85 85 TYR CA C 85 59.520 56.901 2.619 1
1 928 . 12 1 1 A 85 85 TYR CB C 85 38.105 39.473 -1.368 1
1 929 . 12 1 1 A 85 85 TYR N N 85 123.769 121.999 1.770 1
1 930 . 12 1 1 A 86 86 VAL H H 86 7.755 8.178 -0.423 1
1 931 . 12 1 1 A 86 86 VAL HA H 86 3.402 4.354 -0.952 1
1 939 . 12 1 1 A 86 86 VAL C C 86 173.896 175.306 -1.410 1
1 940 . 12 1 1 A 86 86 VAL CA C 86 62.779 61.711 1.068 1
1 941 . 12 1 1 A 86 86 VAL CB C 86 31.843 32.717 -0.874 1
1 944 . 12 1 1 A 86 86 VAL N N 86 130.130 124.694 5.436 1
1 945 . 12 1 1 A 87 87 LEU H H 87 7.069 8.573 -1.504 1
1 946 . 12 1 1 A 87 87 LEU HA H 87 3.833 4.858 -1.025 1
1 956 . 12 1 1 A 87 87 LEU C C 87 176.432 175.915 0.517 1
1 957 . 12 1 1 A 87 87 LEU CA C 87 55.977 54.270 1.707 1
1 958 . 12 1 1 A 87 87 LEU CB C 87 42.126 43.663 -1.537 1
1 962 . 12 1 1 A 87 87 LEU N N 87 121.577 124.728 -3.151 1
1 963 . 12 1 1 A 88 88 ASN H H 88 8.705 8.659 0.046 1
1 964 . 12 1 1 A 88 88 ASN HA H 88 4.717 4.985 -0.268 1
1 967 . 12 1 1 A 88 88 ASN C C 88 173.156 174.618 -1.462 1
1 968 . 12 1 1 A 88 88 ASN CA C 88 51.471 52.053 -0.582 1
1 969 . 12 1 1 A 88 88 ASN CB C 88 41.622 39.612 2.010 1
1 970 . 12 1 1 A 88 88 ASN N N 88 120.561 121.399 -0.838 1
1 971 . 12 1 1 A 89 89 ASP H H 89 8.482 8.556 -0.074 1
1 972 . 12 1 1 A 89 89 ASP HA H 89 3.937 4.284 -0.347 1
1 975 . 12 1 1 A 89 89 ASP C C 89 178.751 175.449 3.302 1
1 976 . 12 1 1 A 89 89 ASP CA C 89 56.268 54.952 1.316 1
1 977 . 12 1 1 A 89 89 ASP CB C 89 40.380 39.855 0.525 1
1 978 . 12 1 1 A 89 89 ASP N N 89 122.084 118.287 3.797 1
1 979 . 12 1 1 A 90 90 GLY H H 90 9.334 8.386 0.948 1
1 980 . 12 1 1 A 90 90 GLY HA2 H 90 4.314 3.988 0.326 1
1 981 . 12 1 1 A 90 90 GLY HA3 H 90 3.619 4.013 -0.394 1
1 982 . 12 1 1 A 90 90 GLY C C 90 174.907 174.360 0.547 1
1 983 . 12 1 1 A 90 90 GLY CA C 90 45.076 45.236 -0.160 1
1 984 . 12 1 1 A 90 90 GLY N N 90 117.218 111.489 5.729 1
1 985 . 12 1 1 A 91 91 ASP H H 91 7.987 8.188 -0.201 1
1 986 . 12 1 1 A 91 91 ASP HA H 91 4.745 4.702 0.043 1
1 989 . 12 1 1 A 91 91 ASP C C 91 175.436 175.719 -0.283 1
1 990 . 12 1 1 A 91 91 ASP CA C 91 55.954 54.179 1.775 1
1 991 . 12 1 1 A 91 91 ASP CB C 91 41.876 42.186 -0.310 1
1 992 . 12 1 1 A 91 91 ASP N N 91 122.336 121.244 1.092 1
1 993 . 12 1 1 A 92 92 THR H H 92 8.227 8.669 -0.442 1
1 994 . 12 1 1 A 92 92 THR HA H 92 5.093 5.374 -0.281 1
1 999 . 12 1 1 A 92 92 THR C C 92 173.702 172.927 0.775 1
1 1000 . 12 1 1 A 92 92 THR CA C 92 61.477 61.421 0.056 1
1 1001 . 12 1 1 A 92 92 THR CB C 92 70.032 71.321 -1.289 1
1 1003 . 12 1 1 A 92 92 THR N N 92 115.456 116.864 -1.408 1
1 1004 . 12 1 1 A 93 93 VAL H H 93 9.039 9.087 -0.048 1
1 1005 . 12 1 1 A 93 93 VAL HA H 93 4.731 4.958 -0.227 1
1 1013 . 12 1 1 A 93 93 VAL C C 93 173.391 172.609 0.782 1
1 1014 . 12 1 1 A 93 93 VAL CA C 93 59.984 59.763 0.221 1
1 1015 . 12 1 1 A 93 93 VAL CB C 93 33.978 35.378 -1.400 1
1 1018 . 12 1 1 A 93 93 VAL N N 93 129.109 125.230 3.879 1
1 1019 . 12 1 1 A 94 94 GLU H H 94 9.012 8.146 0.866 1
1 1020 . 12 1 1 A 94 94 GLU HA H 94 4.941 4.516 0.425 1
1 1025 . 12 1 1 A 94 94 GLU C C 94 173.669 174.731 -1.062 1
1 1026 . 12 1 1 A 94 94 GLU CA C 94 53.577 54.247 -0.670 1
1 1027 . 12 1 1 A 94 94 GLU CB C 94 32.853 34.239 -1.386 1
1 1029 . 12 1 1 A 94 94 GLU N N 94 126.881 126.495 0.386 1
1 1030 . 12 1 1 A 95 95 PHE H H 95 9.012 8.099 0.913 1
1 1031 . 12 1 1 A 95 95 PHE HA H 95 4.941 5.088 -0.147 1
1 1034 . 12 1 1 A 95 95 PHE C C 95 174.687 174.623 0.064 1
1 1035 . 12 1 1 A 95 95 PHE CA C 95 56.843 56.474 0.369 1
1 1036 . 12 1 1 A 95 95 PHE CB C 95 40.889 40.703 0.186 1
1 1037 . 12 1 1 A 95 95 PHE N N 95 122.718 120.455 2.263 1
1 1038 . 12 1 1 A 96 96 ILE H H 96 9.292 9.240 0.052 1
1 1039 . 12 1 1 A 96 96 ILE HA H 96 4.573 5.059 -0.486 1
1 1049 . 12 1 1 A 96 96 ILE C C 96 175.897 175.186 0.711 1
1 1050 . 12 1 1 A 96 96 ILE CA C 96 59.748 60.439 -0.691 1
1 1051 . 12 1 1 A 96 96 ILE CB C 96 40.938 39.883 1.055 1
1 1055 . 12 1 1 A 96 96 ILE N N 96 123.112 124.787 -1.675 1
1 1056 . 12 1 1 A 97 97 SER H H 97 8.245 8.618 -0.373 1
1 1057 . 12 1 1 A 97 97 SER HA H 97 4.800 4.874 -0.074 1
1 1060 . 12 1 1 A 97 97 SER C C 97 175.130 174.324 0.806 1
1 1061 . 12 1 1 A 97 97 SER CA C 97 58.154 58.963 -0.809 1
1 1062 . 12 1 1 A 97 97 SER CB C 97 63.137 63.428 -0.291 1
1 1063 . 12 1 1 A 97 97 SER N N 97 121.343 124.252 -2.909 1
1 1064 . 12 1 1 A 98 98 THR H H 98 8.181 9.251 -1.070 1
1 1065 . 12 1 1 A 98 98 THR HA H 98 4.549 4.712 -0.163 1
1 1070 . 12 1 1 A 98 98 THR C C 98 174.729 174.447 0.282 1
1 1071 . 12 1 1 A 98 98 THR CA C 98 61.603 61.157 0.446 1
1 1072 . 12 1 1 A 98 98 THR CB C 98 69.890 69.790 0.100 1
1 1074 . 12 1 1 A 98 98 THR N N 98 116.451 120.036 -3.585 1
1 1075 . 12 1 1 A 99 99 LEU H H 99 8.033 7.584 0.449 1
1 1076 . 12 1 1 A 99 99 LEU HA H 99 4.234 4.361 -0.127 1
1 1086 . 12 1 1 A 99 99 LEU C C 99 177.349 176.157 1.192 1
1 1087 . 12 1 1 A 99 99 LEU CA C 99 55.517 54.662 0.855 1
1 1088 . 12 1 1 A 99 99 LEU CB C 99 41.996 43.368 -1.372 1
1 1092 . 12 1 1 A 99 99 LEU N N 99 122.869 120.923 1.946 1
1 1093 . 12 1 1 A 100 100 HIS H H 100 8.558 8.615 -0.057 1
1 1094 . 12 1 1 A 100 100 HIS HA H 100 4.460 5.127 -0.667 1
1 1097 . 12 1 1 A 100 100 HIS C C 100 175.718 174.112 1.606 1
1 1098 . 12 1 1 A 100 100 HIS CA C 100 56.096 54.873 1.223 1
1 1099 . 12 1 1 A 100 100 HIS CB C 100 29.709 33.646 -3.937 1
1 1100 . 12 1 1 A 100 100 HIS N N 100 120.437 119.588 0.849 1
1 1101 . 12 1 1 A 101 101 GLY H H 101 8.477 7.615 0.862 1
1 1102 . 12 1 1 A 101 101 GLY HA2 H 101 3.888 3.862 0.026 1
1 1103 . 12 1 1 A 101 101 GLY HA3 H 101 3.888 3.944 -0.056 1
1 1104 . 12 1 1 A 101 101 GLY C C 101 174.614 173.744 0.870 1
1 1105 . 12 1 1 A 101 101 GLY CA C 101 45.529 45.704 -0.175 1
1 1106 . 12 1 1 A 101 101 GLY N N 101 110.340 111.795 -1.455 1
1 7 . 13 1 1 A 2 2 SER H H 2 8.206 8.567 -0.361 1
1 8 . 13 1 1 A 2 2 SER N N 2 126.498 119.714 6.784 1
1 9 . 13 1 1 A 3 3 ASN HA H 3 5.166 4.841 0.325 1
1 12 . 13 1 1 A 3 3 ASN C C 3 175.527 175.191 0.336 1
1 13 . 13 1 1 A 3 3 ASN CA C 3 51.466 53.501 -2.035 1
1 14 . 13 1 1 A 3 3 ASN CB C 3 39.931 38.719 1.212 1
1 15 . 13 1 1 A 4 4 HIS H H 4 8.859 8.943 -0.084 1
1 16 . 13 1 1 A 4 4 HIS HA H 4 4.165 4.617 -0.452 1
1 19 . 13 1 1 A 4 4 HIS C C 4 175.897 173.835 2.062 1
1 20 . 13 1 1 A 4 4 HIS CA C 4 56.644 55.633 1.011 1
1 21 . 13 1 1 A 4 4 HIS CB C 4 30.122 29.929 0.193 1
1 22 . 13 1 1 A 4 4 HIS N N 4 120.656 123.312 -2.656 1
1 23 . 13 1 1 A 5 5 ASN H H 5 8.263 7.810 0.453 1
1 24 . 13 1 1 A 5 5 ASN HA H 5 4.274 5.633 -1.359 1
1 27 . 13 1 1 A 5 5 ASN C C 5 177.939 173.597 4.342 1
1 28 . 13 1 1 A 5 5 ASN CA C 5 57.261 51.395 5.866 1
1 29 . 13 1 1 A 5 5 ASN CB C 5 38.232 41.511 -3.279 1
1 30 . 13 1 1 A 5 5 ASN N N 5 121.699 115.888 5.811 1
1 31 . 13 1 1 A 6 6 HIS H H 6 9.675 8.948 0.727 1
1 32 . 13 1 1 A 6 6 HIS HA H 6 5.261 5.175 0.086 1
1 35 . 13 1 1 A 6 6 HIS C C 6 171.876 171.789 0.087 1
1 36 . 13 1 1 A 6 6 HIS CA C 6 56.016 54.957 1.059 1
1 37 . 13 1 1 A 6 6 HIS CB C 6 31.324 31.496 -0.172 1
1 38 . 13 1 1 A 6 6 HIS N N 6 117.245 116.025 1.220 1
1 39 . 13 1 1 A 7 7 ILE H H 7 7.753 8.498 -0.745 1
1 40 . 13 1 1 A 7 7 ILE HA H 7 4.442 4.923 -0.481 1
1 50 . 13 1 1 A 7 7 ILE C C 7 174.518 175.051 -0.533 1
1 51 . 13 1 1 A 7 7 ILE CA C 7 57.922 59.648 -1.726 1
1 52 . 13 1 1 A 7 7 ILE CB C 7 39.790 40.970 -1.180 1
1 56 . 13 1 1 A 7 7 ILE N N 7 126.114 122.501 3.613 1
1 57 . 13 1 1 A 8 8 THR H H 8 8.238 9.185 -0.947 1
1 58 . 13 1 1 A 8 8 THR HA H 8 4.733 4.949 -0.216 1
1 63 . 13 1 1 A 8 8 THR C C 8 172.672 172.977 -0.305 1
1 64 . 13 1 1 A 8 8 THR CA C 8 62.203 61.977 0.226 1
1 65 . 13 1 1 A 8 8 THR CB C 8 70.202 70.201 0.001 1
1 67 . 13 1 1 A 8 8 THR N N 8 123.879 121.058 2.821 1
1 68 . 13 1 1 A 9 9 VAL H H 9 8.717 9.144 -0.427 1
1 69 . 13 1 1 A 9 9 VAL HA H 9 5.165 4.741 0.424 1
1 77 . 13 1 1 A 9 9 VAL C C 9 173.545 174.236 -0.691 1
1 78 . 13 1 1 A 9 9 VAL CA C 9 59.279 60.141 -0.862 1
1 79 . 13 1 1 A 9 9 VAL CB C 9 33.495 34.012 -0.517 1
1 82 . 13 1 1 A 9 9 VAL N N 9 124.808 126.928 -2.120 1
1 83 . 13 1 1 A 10 10 GLN H H 10 8.863 8.535 0.328 1
1 84 . 13 1 1 A 10 10 GLN HA H 10 4.841 5.151 -0.310 1
1 87 . 13 1 1 A 10 10 GLN C C 10 173.774 173.870 -0.096 1
1 88 . 13 1 1 A 10 10 GLN CA C 10 53.092 53.656 -0.564 1
1 89 . 13 1 1 A 10 10 GLN CB C 10 32.226 32.534 -0.308 1
1 91 . 13 1 1 A 10 10 GLN N N 10 123.709 125.697 -1.988 1
1 92 . 13 1 1 A 11 11 PHE H H 11 8.252 8.587 -0.335 1
1 93 . 13 1 1 A 11 11 PHE HA H 11 5.661 5.536 0.125 1
1 96 . 13 1 1 A 11 11 PHE C C 11 175.180 175.030 0.150 1
1 97 . 13 1 1 A 11 11 PHE CA C 11 55.799 56.732 -0.933 1
1 98 . 13 1 1 A 11 11 PHE CB C 11 43.197 42.523 0.674 1
1 99 . 13 1 1 A 11 11 PHE N N 11 119.002 118.117 0.885 1
1 100 . 13 1 1 A 12 12 ALA H H 12 8.989 8.855 0.134 1
1 101 . 13 1 1 A 12 12 ALA HA H 12 4.971 4.981 -0.010 1
1 105 . 13 1 1 A 12 12 ALA C C 12 179.413 178.234 1.179 1
1 106 . 13 1 1 A 12 12 ALA CA C 12 51.675 50.998 0.677 1
1 107 . 13 1 1 A 12 12 ALA CB C 12 23.716 22.185 1.531 1
1 108 . 13 1 1 A 12 12 ALA N N 12 123.388 123.652 -0.264 1
1 109 . 13 1 1 A 13 13 GLY H H 13 9.188 8.745 0.443 1
1 110 . 13 1 1 A 13 13 GLY HA2 H 13 4.477 3.880 0.597 1
1 111 . 13 1 1 A 13 13 GLY HA3 H 13 3.937 3.902 0.035 1
1 112 . 13 1 1 A 13 13 GLY C C 13 173.600 175.083 -1.483 1
1 113 . 13 1 1 A 13 13 GLY CA C 13 46.252 47.246 -0.994 1
1 114 . 13 1 1 A 13 13 GLY N N 13 110.134 107.562 2.572 1
1 115 . 13 1 1 A 14 14 GLY H H 14 9.510 8.796 0.714 1
1 116 . 13 1 1 A 14 14 GLY HA2 H 14 4.600 4.137 0.463 1
1 117 . 13 1 1 A 14 14 GLY HA3 H 14 3.453 4.147 -0.694 1
1 118 . 13 1 1 A 14 14 GLY C C 14 177.136 174.771 2.365 1
1 119 . 13 1 1 A 14 14 GLY CA C 14 44.792 45.448 -0.656 1
1 120 . 13 1 1 A 14 14 GLY N N 14 109.966 113.706 -3.740 1
1 121 . 13 1 1 A 15 15 CYS H H 15 7.748 7.860 -0.112 1
1 122 . 13 1 1 A 15 15 CYS HA H 15 3.883 4.627 -0.744 1
1 125 . 13 1 1 A 15 15 CYS C C 15 175.011 176.761 -1.750 1
1 126 . 13 1 1 A 15 15 CYS CA C 15 62.034 60.331 1.703 1
1 127 . 13 1 1 A 15 15 CYS N N 15 121.082 119.492 1.590 1
1 128 . 13 1 1 A 16 16 GLU H H 16 7.837 8.413 -0.576 1
1 129 . 13 1 1 A 16 16 GLU HA H 16 4.009 3.890 0.119 1
1 134 . 13 1 1 A 16 16 GLU C C 16 178.419 177.712 0.707 1
1 135 . 13 1 1 A 16 16 GLU CA C 16 58.599 58.933 -0.334 1
1 136 . 13 1 1 A 16 16 GLU CB C 16 27.745 28.993 -1.248 1
1 138 . 13 1 1 A 16 16 GLU N N 16 120.416 118.650 1.766 1
1 139 . 13 1 1 A 17 17 LEU H H 17 7.626 7.941 -0.315 1
1 140 . 13 1 1 A 17 17 LEU HA H 17 3.927 4.134 -0.207 1
1 150 . 13 1 1 A 17 17 LEU C C 17 178.349 177.603 0.746 1
1 151 . 13 1 1 A 17 17 LEU CA C 17 57.105 56.437 0.668 1
1 152 . 13 1 1 A 17 17 LEU CB C 17 40.474 41.593 -1.119 1
1 156 . 13 1 1 A 17 17 LEU N N 17 122.648 120.566 2.082 1
1 157 . 13 1 1 A 18 18 LEU H H 18 7.488 7.614 -0.126 1
1 158 . 13 1 1 A 18 18 LEU HA H 18 4.143 4.331 -0.188 1
1 168 . 13 1 1 A 18 18 LEU C C 18 175.859 176.683 -0.824 1
1 169 . 13 1 1 A 18 18 LEU CA C 18 55.729 54.752 0.977 1
1 170 . 13 1 1 A 18 18 LEU CB C 18 40.532 41.505 -0.973 1
1 174 . 13 1 1 A 18 18 LEU N N 18 117.565 117.359 0.206 1
1 175 . 13 1 1 A 19 19 PHE H H 19 7.164 7.649 -0.485 1
1 176 . 13 1 1 A 19 19 PHE HA H 19 4.395 4.764 -0.369 1
1 179 . 13 1 1 A 19 19 PHE C C 19 176.362 175.517 0.845 1
1 180 . 13 1 1 A 19 19 PHE CA C 19 56.373 58.828 -2.455 1
1 181 . 13 1 1 A 19 19 PHE CB C 19 39.143 40.643 -1.500 1
1 182 . 13 1 1 A 19 19 PHE N N 19 117.899 120.212 -2.313 1
1 183 . 13 1 1 A 20 20 ALA H H 20 8.780 7.353 1.427 1
1 184 . 13 1 1 A 20 20 ALA HA H 20 4.087 4.322 -0.235 1
1 188 . 13 1 1 A 20 20 ALA C C 20 176.512 177.183 -0.671 1
1 189 . 13 1 1 A 20 20 ALA CA C 20 53.279 51.094 2.185 1
1 190 . 13 1 1 A 20 20 ALA CB C 20 17.047 18.970 -1.923 1
1 191 . 13 1 1 A 20 20 ALA N N 20 123.417 119.274 4.143 1
1 192 . 13 1 1 A 21 21 LYS H H 21 7.825 7.881 -0.056 1
1 193 . 13 1 1 A 21 21 LYS HA H 21 3.181 3.770 -0.589 1
1 202 . 13 1 1 A 21 21 LYS C C 21 175.295 175.783 -0.488 1
1 203 . 13 1 1 A 21 21 LYS CA C 21 58.666 57.294 1.372 1
1 204 . 13 1 1 A 21 21 LYS CB C 21 29.784 29.586 0.198 1
1 208 . 13 1 1 A 21 21 LYS N N 21 108.448 112.621 -4.173 1
1 209 . 13 1 1 A 22 22 GLN H H 22 7.611 7.926 -0.315 1
1 210 . 13 1 1 A 22 22 GLN HA H 22 4.429 4.392 0.037 1
1 215 . 13 1 1 A 22 22 GLN C C 22 174.967 176.002 -1.035 1
1 216 . 13 1 1 A 22 22 GLN CA C 22 56.105 56.103 0.002 1
1 217 . 13 1 1 A 22 22 GLN CB C 22 29.548 29.799 -0.251 1
1 219 . 13 1 1 A 22 22 GLN N N 22 120.482 117.976 2.506 1
1 220 . 13 1 1 A 23 23 THR H H 23 8.201 9.035 -0.834 1
1 221 . 13 1 1 A 23 23 THR HA H 23 4.491 4.545 -0.054 1
1 226 . 13 1 1 A 23 23 THR C C 23 175.012 175.046 -0.034 1
1 227 . 13 1 1 A 23 23 THR CA C 23 62.436 62.364 0.072 1
1 228 . 13 1 1 A 23 23 THR CB C 23 69.501 69.067 0.434 1
1 229 . 13 1 1 A 23 23 THR N N 23 110.354 114.102 -3.748 1
1 230 . 13 1 1 A 24 24 SER H H 24 7.751 8.092 -0.341 1
1 231 . 13 1 1 A 24 24 SER HA H 24 5.136 5.124 0.012 1
1 234 . 13 1 1 A 24 24 SER C C 24 172.623 173.166 -0.543 1
1 235 . 13 1 1 A 24 24 SER CA C 24 57.192 56.955 0.237 1
1 236 . 13 1 1 A 24 24 SER CB C 24 65.459 66.782 -1.323 1
1 237 . 13 1 1 A 24 24 SER N N 24 114.575 114.259 0.316 1
1 238 . 13 1 1 A 25 25 LEU H H 25 9.272 8.550 0.722 1
1 239 . 13 1 1 A 25 25 LEU HA H 25 4.531 5.037 -0.506 1
1 249 . 13 1 1 A 25 25 LEU C C 25 174.436 174.266 0.170 1
1 250 . 13 1 1 A 25 25 LEU CA C 25 53.929 53.713 0.216 1
1 251 . 13 1 1 A 25 25 LEU CB C 25 45.561 46.194 -0.633 1
1 255 . 13 1 1 A 25 25 LEU N N 25 124.288 122.419 1.869 1
1 256 . 13 1 1 A 26 26 GLN H H 26 8.573 8.683 -0.110 1
1 257 . 13 1 1 A 26 26 GLN HA H 26 4.607 5.711 -1.104 1
1 262 . 13 1 1 A 26 26 GLN C C 26 173.250 174.634 -1.384 1
1 263 . 13 1 1 A 26 26 GLN CA C 26 54.207 54.267 -0.060 1
1 264 . 13 1 1 A 26 26 GLN CB C 26 27.813 32.635 -4.822 1
1 266 . 13 1 1 A 26 26 GLN N N 26 122.971 121.997 0.974 1
1 267 . 13 1 1 A 27 27 LEU H H 27 8.753 9.005 -0.252 1
1 268 . 13 1 1 A 27 27 LEU HA H 27 4.414 5.056 -0.642 1
1 272 . 13 1 1 A 27 27 LEU C C 27 175.313 175.492 -0.179 1
1 273 . 13 1 1 A 27 27 LEU CA C 27 53.132 53.157 -0.025 1
1 274 . 13 1 1 A 27 27 LEU CB C 27 40.489 45.754 -5.265 1
1 278 . 13 1 1 A 27 27 LEU N N 27 126.504 122.427 4.077 1
1 279 . 13 1 1 A 28 28 ASP H H 28 8.568 8.613 -0.045 1
1 280 . 13 1 1 A 28 28 ASP HA H 28 4.414 4.878 -0.464 1
1 283 . 13 1 1 A 28 28 ASP C C 28 176.147 175.943 0.204 1
1 284 . 13 1 1 A 28 28 ASP CA C 28 53.407 54.285 -0.878 1
1 285 . 13 1 1 A 28 28 ASP CB C 28 40.535 40.741 -0.206 1
1 286 . 13 1 1 A 28 28 ASP N N 28 112.805 123.895 -11.090 1
1 287 . 13 1 1 A 29 29 GLY H H 29 7.770 8.680 -0.910 1
1 288 . 13 1 1 A 29 29 GLY HA2 H 29 3.942 4.091 -0.149 1
1 289 . 13 1 1 A 29 29 GLY HA3 H 29 3.806 4.098 -0.292 1
1 290 . 13 1 1 A 29 29 GLY C C 29 174.455 175.256 -0.801 1
1 291 . 13 1 1 A 29 29 GLY CA C 29 47.297 45.842 1.455 1
1 292 . 13 1 1 A 29 29 GLY N N 29 129.863 112.056 17.807 1
1 293 . 13 1 1 A 30 30 VAL H H 30 7.792 8.847 -1.055 1
1 294 . 13 1 1 A 30 30 VAL HA H 30 4.391 4.305 0.086 1
1 302 . 13 1 1 A 30 30 VAL C C 30 174.315 176.203 -1.888 1
1 303 . 13 1 1 A 30 30 VAL CA C 30 62.180 62.336 -0.156 1
1 304 . 13 1 1 A 30 30 VAL CB C 30 35.931 33.302 2.629 1
1 307 . 13 1 1 A 30 30 VAL N N 30 112.711 119.835 -7.124 1
1 308 . 13 1 1 A 31 31 VAL H H 31 8.748 7.823 0.925 1
1 309 . 13 1 1 A 31 31 VAL C C 31 172.882 175.044 -2.162 1
1 310 . 13 1 1 A 31 31 VAL CA C 31 62.284 59.233 3.051 1
1 311 . 13 1 1 A 31 31 VAL CB C 31 33.804 31.646 2.158 1
1 312 . 13 1 1 A 31 31 VAL N N 31 123.316 118.860 4.456 1
1 313 . 13 1 1 A 32 32 PRO HA H 32 5.038 4.464 0.574 1
1 320 . 13 1 1 A 32 32 PRO C C 32 179.633 177.407 2.226 1
1 321 . 13 1 1 A 32 32 PRO CA C 32 63.073 63.857 -0.784 1
1 322 . 13 1 1 A 32 32 PRO CB C 32 32.421 31.943 0.478 1
1 325 . 13 1 1 A 33 33 THR H H 33 8.739 7.778 0.961 1
1 326 . 13 1 1 A 33 33 THR HA H 33 3.896 3.991 -0.095 1
1 331 . 13 1 1 A 33 33 THR C C 33 174.735 175.983 -1.248 1
1 332 . 13 1 1 A 33 33 THR CA C 33 64.329 66.097 -1.768 1
1 333 . 13 1 1 A 33 33 THR CB C 33 67.929 68.184 -0.255 1
1 335 . 13 1 1 A 33 33 THR N N 33 120.858 112.736 8.122 1
1 336 . 13 1 1 A 34 34 GLY H H 34 8.303 8.019 0.284 1
1 337 . 13 1 1 A 34 34 GLY HA2 H 34 4.359 3.910 0.449 1
1 338 . 13 1 1 A 34 34 GLY HA3 H 34 3.451 3.913 -0.462 1
1 339 . 13 1 1 A 34 34 GLY C C 34 174.037 172.923 1.114 1
1 340 . 13 1 1 A 34 34 GLY CA C 34 45.067 45.425 -0.358 1
1 341 . 13 1 1 A 34 34 GLY N N 34 114.645 108.646 5.999 1
1 342 . 13 1 1 A 35 35 THR H H 35 7.405 7.342 0.063 1
1 343 . 13 1 1 A 35 35 THR HA H 35 4.073 5.016 -0.943 1
1 348 . 13 1 1 A 35 35 THR C C 35 174.540 173.276 1.264 1
1 349 . 13 1 1 A 35 35 THR CA C 35 65.137 60.929 4.208 1
1 350 . 13 1 1 A 35 35 THR CB C 35 69.484 73.289 -3.805 1
1 352 . 13 1 1 A 35 35 THR N N 35 117.340 113.749 3.591 1
1 353 . 13 1 1 A 36 36 ASN H H 36 8.836 8.543 0.293 1
1 354 . 13 1 1 A 36 36 ASN HA H 36 5.686 5.179 0.507 1
1 357 . 13 1 1 A 36 36 ASN C C 36 176.512 175.565 0.947 1
1 358 . 13 1 1 A 36 36 ASN CA C 36 50.439 51.763 -1.324 1
1 359 . 13 1 1 A 36 36 ASN CB C 36 40.274 39.998 0.276 1
1 360 . 13 1 1 A 36 36 ASN N N 36 127.379 121.952 5.427 1
1 361 . 13 1 1 A 37 37 LEU H H 37 8.045 8.629 -0.584 1
1 362 . 13 1 1 A 37 37 LEU HA H 37 4.142 4.046 0.096 1
1 372 . 13 1 1 A 37 37 LEU C C 37 178.931 178.663 0.268 1
1 373 . 13 1 1 A 37 37 LEU CA C 37 59.274 58.605 0.669 1
1 374 . 13 1 1 A 37 37 LEU CB C 37 42.159 41.425 0.734 1
1 378 . 13 1 1 A 37 37 LEU N N 37 119.164 119.438 -0.274 1
1 379 . 13 1 1 A 38 38 ASN H H 38 7.959 8.499 -0.540 1
1 380 . 13 1 1 A 38 38 ASN HA H 38 4.502 4.468 0.034 1
1 383 . 13 1 1 A 38 38 ASN C C 38 178.691 178.966 -0.275 1
1 384 . 13 1 1 A 38 38 ASN CA C 38 57.080 56.304 0.776 1
1 385 . 13 1 1 A 38 38 ASN CB C 38 38.367 37.858 0.509 1
1 386 . 13 1 1 A 38 38 ASN N N 38 118.522 115.872 2.650 1
1 387 . 13 1 1 A 39 39 GLY H H 39 8.828 8.070 0.758 1
1 388 . 13 1 1 A 39 39 GLY HA2 H 39 4.088 3.674 0.414 1
1 389 . 13 1 1 A 39 39 GLY HA3 H 39 3.911 3.677 0.234 1
1 390 . 13 1 1 A 39 39 GLY C C 39 177.320 175.720 1.600 1
1 391 . 13 1 1 A 39 39 GLY CA C 39 46.879 47.328 -0.449 1
1 392 . 13 1 1 A 39 39 GLY N N 39 109.615 108.422 1.193 1
1 393 . 13 1 1 A 40 40 LEU H H 40 8.829 8.037 0.792 1
1 394 . 13 1 1 A 40 40 LEU HA H 40 4.504 4.050 0.454 1
1 404 . 13 1 1 A 40 40 LEU C C 40 177.788 178.883 -1.095 1
1 405 . 13 1 1 A 40 40 LEU CA C 40 57.770 57.910 -0.140 1
1 406 . 13 1 1 A 40 40 LEU CB C 40 41.713 42.115 -0.402 1
1 410 . 13 1 1 A 40 40 LEU N N 40 125.884 123.234 2.650 1
1 411 . 13 1 1 A 41 41 VAL H H 41 8.333 8.175 0.158 1
1 412 . 13 1 1 A 41 41 VAL HA H 41 3.328 3.843 -0.515 1
1 420 . 13 1 1 A 41 41 VAL C C 41 177.556 177.718 -0.162 1
1 421 . 13 1 1 A 41 41 VAL CA C 41 67.977 65.258 2.719 1
1 422 . 13 1 1 A 41 41 VAL CB C 41 31.080 31.102 -0.022 1
1 425 . 13 1 1 A 41 41 VAL N N 41 120.213 114.586 5.627 1
1 426 . 13 1 1 A 42 42 GLN H H 42 7.672 8.106 -0.434 1
1 427 . 13 1 1 A 42 42 GLN HA H 42 3.866 3.970 -0.104 1
1 432 . 13 1 1 A 42 42 GLN C C 42 177.980 178.036 -0.056 1
1 433 . 13 1 1 A 42 42 GLN CA C 42 58.694 58.926 -0.232 1
1 434 . 13 1 1 A 42 42 GLN CB C 42 27.809 28.817 -1.008 1
1 436 . 13 1 1 A 42 42 GLN N N 42 116.386 121.793 -5.407 1
1 437 . 13 1 1 A 43 43 LEU H H 43 8.080 7.544 0.536 1
1 438 . 13 1 1 A 43 43 LEU HA H 43 4.225 4.095 0.130 1
1 448 . 13 1 1 A 43 43 LEU C C 43 179.999 178.381 1.618 1
1 449 . 13 1 1 A 43 43 LEU CA C 43 58.275 57.366 0.909 1
1 450 . 13 1 1 A 43 43 LEU CB C 43 43.046 41.321 1.725 1
1 454 . 13 1 1 A 43 43 LEU N N 43 122.204 120.722 1.482 1
1 455 . 13 1 1 A 44 44 LEU H H 44 8.810 8.003 0.807 1
1 456 . 13 1 1 A 44 44 LEU HA H 44 4.384 4.162 0.222 1
1 466 . 13 1 1 A 44 44 LEU C C 44 179.311 178.753 0.558 1
1 467 . 13 1 1 A 44 44 LEU CA C 44 58.397 56.903 1.494 1
1 468 . 13 1 1 A 44 44 LEU CB C 44 41.553 42.481 -0.928 1
1 472 . 13 1 1 A 44 44 LEU N N 44 119.371 118.140 1.231 1
1 473 . 13 1 1 A 45 45 LYS H H 45 8.652 8.476 0.176 1
1 474 . 13 1 1 A 45 45 LYS HA H 45 3.678 4.126 -0.448 1
1 483 . 13 1 1 A 45 45 LYS C C 45 177.005 178.911 -1.906 1
1 484 . 13 1 1 A 45 45 LYS CA C 45 60.016 58.890 1.126 1
1 485 . 13 1 1 A 45 45 LYS CB C 45 32.411 32.289 0.122 1
1 489 . 13 1 1 A 45 45 LYS N N 45 120.434 119.771 0.663 1
1 490 . 13 1 1 A 46 46 THR H H 46 8.180 8.317 -0.137 1
1 491 . 13 1 1 A 46 46 THR HA H 46 4.027 4.083 -0.056 1
1 496 . 13 1 1 A 46 46 THR C C 46 176.217 175.600 0.617 1
1 497 . 13 1 1 A 46 46 THR CA C 46 65.173 65.644 -0.471 1
1 498 . 13 1 1 A 46 46 THR CB C 46 69.680 68.459 1.221 1
1 500 . 13 1 1 A 46 46 THR N N 46 109.149 115.496 -6.347 1
1 501 . 13 1 1 A 47 47 ASN H H 47 8.170 7.575 0.595 1
1 502 . 13 1 1 A 47 47 ASN HA H 47 4.785 4.625 0.160 1
1 505 . 13 1 1 A 47 47 ASN C C 47 175.267 175.270 -0.003 1
1 506 . 13 1 1 A 47 47 ASN CA C 47 54.213 54.561 -0.348 1
1 507 . 13 1 1 A 47 47 ASN CB C 47 40.712 39.917 0.795 1
1 508 . 13 1 1 A 47 47 ASN N N 47 116.045 117.409 -1.364 1
1 509 . 13 1 1 A 48 48 TYR H H 48 8.094 7.755 0.339 1
1 510 . 13 1 1 A 48 48 TYR HA H 48 4.695 4.880 -0.185 1
1 513 . 13 1 1 A 48 48 TYR C C 48 175.011 174.588 0.423 1
1 514 . 13 1 1 A 48 48 TYR CA C 48 60.273 56.290 3.983 1
1 515 . 13 1 1 A 48 48 TYR CB C 48 41.189 38.349 2.840 1
1 516 . 13 1 1 A 48 48 TYR N N 48 115.849 114.919 0.930 1
1 517 . 13 1 1 A 49 49 VAL H H 49 7.769 8.194 -0.425 1
1 518 . 13 1 1 A 49 49 VAL HA H 49 3.715 4.634 -0.919 1
1 526 . 13 1 1 A 49 49 VAL C C 49 176.157 175.715 0.442 1
1 527 . 13 1 1 A 49 49 VAL CA C 49 63.454 60.924 2.530 1
1 528 . 13 1 1 A 49 49 VAL CB C 49 31.695 32.056 -0.361 1
1 531 . 13 1 1 A 49 49 VAL N N 49 120.510 122.874 -2.364 1
1 532 . 13 1 1 A 50 50 LYS H H 50 8.334 8.773 -0.439 1
1 533 . 13 1 1 A 50 50 LYS HA H 50 4.242 4.509 -0.267 1
1 542 . 13 1 1 A 50 50 LYS C C 50 176.562 174.971 1.591 1
1 543 . 13 1 1 A 50 50 LYS CA C 50 55.979 56.152 -0.173 1
1 544 . 13 1 1 A 50 50 LYS CB C 50 32.822 31.437 1.385 1
1 548 . 13 1 1 A 50 50 LYS N N 50 125.933 129.523 -3.590 1
1 549 . 13 1 1 A 51 51 GLU H H 51 7.598 7.839 -0.241 1
1 550 . 13 1 1 A 51 51 GLU HA H 51 4.328 4.579 -0.251 1
1 553 . 13 1 1 A 51 51 GLU C C 51 172.975 174.701 -1.726 1
1 554 . 13 1 1 A 51 51 GLU CA C 51 55.074 55.711 -0.637 1
1 555 . 13 1 1 A 51 51 GLU CB C 51 32.633 33.200 -0.567 1
1 557 . 13 1 1 A 51 51 GLU N N 51 117.804 120.737 -2.933 1
1 558 . 13 1 1 A 52 52 ARG H H 52 8.383 8.483 -0.100 1
1 559 . 13 1 1 A 52 52 ARG CA C 52 53.279 54.345 -1.066 1
1 560 . 13 1 1 A 52 52 ARG CB C 52 26.615 30.498 -3.883 1
1 561 . 13 1 1 A 52 52 ARG N N 52 111.793 122.215 -10.422 1
1 562 . 13 1 1 A 53 53 PRO HA H 53 4.029 4.310 -0.281 1
1 569 . 13 1 1 A 53 53 PRO C C 53 177.018 177.514 -0.496 1
1 570 . 13 1 1 A 53 53 PRO CA C 53 65.474 64.842 0.632 1
1 571 . 13 1 1 A 53 53 PRO CB C 53 30.916 32.005 -1.089 1
1 574 . 13 1 1 A 53 53 PRO N N 53 111.793 140.690 -28.897 1
1 575 . 13 1 1 A 54 54 ASP H H 54 8.462 8.575 -0.113 1
1 576 . 13 1 1 A 54 54 ASP HA H 54 4.345 4.685 -0.340 1
1 579 . 13 1 1 A 54 54 ASP C C 54 176.493 177.236 -0.743 1
1 580 . 13 1 1 A 54 54 ASP CA C 54 54.982 54.482 0.500 1
1 581 . 13 1 1 A 54 54 ASP CB C 54 39.451 41.346 -1.895 1
1 582 . 13 1 1 A 54 54 ASP N N 54 113.848 116.511 -2.663 1
1 583 . 13 1 1 A 55 55 LEU H H 55 7.766 7.938 -0.172 1
1 584 . 13 1 1 A 55 55 LEU HA H 55 4.235 4.168 0.067 1
1 594 . 13 1 1 A 55 55 LEU C C 55 175.873 178.295 -2.422 1
1 595 . 13 1 1 A 55 55 LEU CA C 55 55.305 56.806 -1.501 1
1 596 . 13 1 1 A 55 55 LEU CB C 55 41.271 41.991 -0.720 1
1 600 . 13 1 1 A 55 55 LEU N N 55 117.721 116.842 0.879 1
1 601 . 13 1 1 A 56 56 LEU H H 56 7.630 7.689 -0.059 1
1 602 . 13 1 1 A 56 56 LEU HA H 56 4.552 4.462 0.090 1
1 612 . 13 1 1 A 56 56 LEU C C 56 175.341 177.092 -1.751 1
1 613 . 13 1 1 A 56 56 LEU CA C 56 55.516 56.234 -0.718 1
1 614 . 13 1 1 A 56 56 LEU CB C 56 44.910 42.813 2.097 1
1 618 . 13 1 1 A 56 56 LEU N N 56 118.796 116.700 2.096 1
1 619 . 13 1 1 A 57 57 VAL H H 57 7.206 7.321 -0.115 1
1 620 . 13 1 1 A 57 57 VAL HA H 57 5.048 4.215 0.833 1
1 628 . 13 1 1 A 57 57 VAL C C 57 175.020 176.013 -0.993 1
1 629 . 13 1 1 A 57 57 VAL CA C 57 58.550 62.065 -3.515 1
1 630 . 13 1 1 A 57 57 VAL CB C 57 35.049 32.655 2.394 1
1 633 . 13 1 1 A 57 57 VAL N N 57 106.872 119.948 -13.076 1
1 634 . 13 1 1 A 58 58 ASP H H 58 8.447 9.324 -0.877 1
1 635 . 13 1 1 A 58 58 ASP HA H 58 4.459 4.414 0.045 1
1 638 . 13 1 1 A 58 58 ASP C C 58 177.406 176.917 0.489 1
1 639 . 13 1 1 A 58 58 ASP CA C 58 53.130 56.801 -3.671 1
1 640 . 13 1 1 A 58 58 ASP CB C 58 40.985 41.504 -0.519 1
1 641 . 13 1 1 A 58 58 ASP N N 58 118.741 123.911 -5.170 1
1 642 . 13 1 1 A 59 59 GLN H H 59 8.883 7.869 1.014 1
1 643 . 13 1 1 A 59 59 GLN HA H 59 4.031 4.600 -0.569 1
1 648 . 13 1 1 A 59 59 GLN C C 59 177.499 177.100 0.399 1
1 649 . 13 1 1 A 59 59 GLN CA C 59 59.120 57.296 1.824 1
1 650 . 13 1 1 A 59 59 GLN CB C 59 28.389 31.416 -3.027 1
1 652 . 13 1 1 A 59 59 GLN N N 59 119.603 117.236 2.367 1
1 653 . 13 1 1 A 60 60 THR H H 60 8.060 8.012 0.048 1
1 654 . 13 1 1 A 60 60 THR HA H 60 4.296 4.444 -0.148 1
1 659 . 13 1 1 A 60 60 THR C C 60 176.363 174.792 1.571 1
1 660 . 13 1 1 A 60 60 THR CA C 60 63.358 62.255 1.103 1
1 661 . 13 1 1 A 60 60 THR CB C 60 70.577 69.193 1.384 1
1 663 . 13 1 1 A 60 60 THR N N 60 109.323 113.644 -4.321 1
1 664 . 13 1 1 A 61 61 GLY H H 61 8.001 8.011 -0.010 1
1 665 . 13 1 1 A 61 61 GLY HA2 H 61 4.173 3.893 0.280 1
1 666 . 13 1 1 A 61 61 GLY HA3 H 61 3.610 3.896 -0.286 1
1 667 . 13 1 1 A 61 61 GLY C C 61 174.049 174.266 -0.217 1
1 668 . 13 1 1 A 61 61 GLY CA C 61 45.301 46.390 -1.089 1
1 669 . 13 1 1 A 61 61 GLY N N 61 109.323 110.006 -0.683 1
1 670 . 13 1 1 A 62 62 GLN H H 62 8.091 7.965 0.126 1
1 671 . 13 1 1 A 62 62 GLN HA H 62 4.172 4.631 -0.459 1
1 674 . 13 1 1 A 62 62 GLN C C 62 175.201 175.624 -0.423 1
1 675 . 13 1 1 A 62 62 GLN CA C 62 56.474 57.049 -0.575 1
1 676 . 13 1 1 A 62 62 GLN CB C 62 30.618 31.443 -0.825 1
1 678 . 13 1 1 A 62 62 GLN N N 62 117.247 119.557 -2.310 1
1 679 . 13 1 1 A 63 63 THR H H 63 7.740 7.671 0.069 1
1 680 . 13 1 1 A 63 63 THR HA H 63 4.624 4.876 -0.252 1
1 685 . 13 1 1 A 63 63 THR C C 63 172.622 174.281 -1.659 1
1 686 . 13 1 1 A 63 63 THR CA C 63 59.718 59.645 0.073 1
1 687 . 13 1 1 A 63 63 THR CB C 63 70.832 71.258 -0.426 1
1 689 . 13 1 1 A 63 63 THR N N 63 113.860 109.493 4.367 1
1 690 . 13 1 1 A 64 64 LEU H H 64 8.364 8.711 -0.347 1
1 691 . 13 1 1 A 64 64 LEU HA H 64 4.324 4.851 -0.527 1
1 701 . 13 1 1 A 64 64 LEU C C 64 176.311 176.332 -0.021 1
1 702 . 13 1 1 A 64 64 LEU CA C 64 55.025 53.501 1.524 1
1 703 . 13 1 1 A 64 64 LEU CB C 64 43.871 43.523 0.348 1
1 707 . 13 1 1 A 64 64 LEU N N 64 123.689 122.042 1.647 1
1 708 . 13 1 1 A 65 65 ARG H H 65 8.192 9.410 -1.218 1
1 709 . 13 1 1 A 65 65 ARG C C 65 173.609 176.606 -2.997 1
1 710 . 13 1 1 A 65 65 ARG CA C 65 55.287 55.336 -0.049 1
1 711 . 13 1 1 A 65 65 ARG CB C 65 29.681 30.314 -0.633 1
1 712 . 13 1 1 A 65 65 ARG N N 65 126.639 122.203 4.436 1
1 713 . 13 1 1 A 66 66 PRO HA H 66 4.390 4.287 0.103 1
1 720 . 13 1 1 A 66 66 PRO C C 66 177.030 178.666 -1.636 1
1 721 . 13 1 1 A 66 66 PRO CA C 66 63.719 65.389 -1.670 1
1 722 . 13 1 1 A 66 66 PRO CB C 66 31.825 32.029 -0.204 1
1 725 . 13 1 1 A 66 66 PRO N N 66 126.639 137.257 -10.618 1
1 726 . 13 1 1 A 67 67 GLY H H 67 8.744 8.444 0.300 1
1 727 . 13 1 1 A 67 67 GLY HA2 H 67 4.232 3.899 0.333 1
1 728 . 13 1 1 A 67 67 GLY HA3 H 67 3.544 3.906 -0.362 1
1 729 . 13 1 1 A 67 67 GLY C C 67 174.319 174.683 -0.364 1
1 730 . 13 1 1 A 67 67 GLY CA C 67 44.818 47.117 -2.299 1
1 731 . 13 1 1 A 68 68 ILE H H 68 7.522 7.930 -0.408 1
1 732 . 13 1 1 A 68 68 ILE HA H 68 4.690 4.801 -0.111 1
1 742 . 13 1 1 A 68 68 ILE C C 68 174.703 175.094 -0.391 1
1 743 . 13 1 1 A 68 68 ILE CA C 68 61.047 60.484 0.563 1
1 744 . 13 1 1 A 68 68 ILE CB C 68 38.090 39.443 -1.353 1
1 748 . 13 1 1 A 68 68 ILE N N 68 121.049 120.416 0.633 1
1 749 . 13 1 1 A 69 69 LEU H H 69 9.207 9.254 -0.047 1
1 750 . 13 1 1 A 69 69 LEU HA H 69 4.449 4.921 -0.472 1
1 760 . 13 1 1 A 69 69 LEU C C 69 174.991 175.513 -0.522 1
1 761 . 13 1 1 A 69 69 LEU CA C 69 54.106 53.638 0.468 1
1 762 . 13 1 1 A 69 69 LEU CB C 69 43.588 43.534 0.054 1
1 766 . 13 1 1 A 69 69 LEU N N 69 131.197 129.491 1.706 1
1 767 . 13 1 1 A 70 70 VAL H H 70 8.149 8.582 -0.433 1
1 768 . 13 1 1 A 70 70 VAL HA H 70 4.955 4.606 0.349 1
1 776 . 13 1 1 A 70 70 VAL C C 70 175.167 175.400 -0.233 1
1 777 . 13 1 1 A 70 70 VAL CA C 70 59.928 61.199 -1.271 1
1 778 . 13 1 1 A 70 70 VAL CB C 70 33.239 32.907 0.332 1
1 781 . 13 1 1 A 70 70 VAL N N 70 121.953 124.687 -2.734 1
1 782 . 13 1 1 A 71 71 LEU H H 71 8.881 8.210 0.671 1
1 783 . 13 1 1 A 71 71 LEU HA H 71 4.922 5.051 -0.129 1
1 793 . 13 1 1 A 71 71 LEU C C 71 176.487 175.440 1.047 1
1 794 . 13 1 1 A 71 71 LEU CA C 71 52.627 53.342 -0.715 1
1 795 . 13 1 1 A 71 71 LEU CB C 71 44.487 46.207 -1.720 1
1 799 . 13 1 1 A 71 71 LEU N N 71 126.071 126.869 -0.798 1
1 800 . 13 1 1 A 72 72 VAL H H 72 9.048 9.139 -0.091 1
1 801 . 13 1 1 A 72 72 VAL HA H 72 4.351 4.974 -0.623 1
1 809 . 13 1 1 A 72 72 VAL C C 72 176.078 174.641 1.437 1
1 810 . 13 1 1 A 72 72 VAL CA C 72 60.886 59.762 1.124 1
1 811 . 13 1 1 A 72 72 VAL CB C 72 33.141 34.045 -0.904 1
1 814 . 13 1 1 A 72 72 VAL N N 72 120.969 117.047 3.922 1
1 815 . 13 1 1 A 73 73 ASN H H 73 9.630 9.520 0.110 1
1 816 . 13 1 1 A 73 73 ASN HA H 73 4.335 4.378 -0.043 1
1 821 . 13 1 1 A 73 73 ASN C C 73 175.496 174.502 0.994 1
1 822 . 13 1 1 A 73 73 ASN CA C 73 54.736 54.629 0.107 1
1 823 . 13 1 1 A 73 73 ASN CB C 73 36.825 36.827 -0.002 1
1 824 . 13 1 1 A 73 73 ASN N N 73 129.082 121.870 7.212 1
1 825 . 13 1 1 A 74 74 SER H H 74 9.308 8.496 0.812 1
1 826 . 13 1 1 A 74 74 SER C C 74 172.584 172.443 0.141 1
1 827 . 13 1 1 A 74 74 SER N N 74 106.084 105.337 0.747 1
1 828 . 13 1 1 A 75 75 CYS H H 75 7.845 7.586 0.259 1
1 829 . 13 1 1 A 75 75 CYS C C 75 176.045 173.055 2.990 1
1 830 . 13 1 1 A 75 75 CYS CA C 75 57.152 57.782 -0.630 1
1 831 . 13 1 1 A 75 75 CYS CB C 75 29.101 31.097 -1.996 1
1 832 . 13 1 1 A 75 75 CYS N N 75 120.460 117.682 2.778 1
1 833 . 13 1 1 A 76 76 ASP H H 76 8.766 8.727 0.039 1
1 834 . 13 1 1 A 76 76 ASP HA H 76 4.295 4.491 -0.196 1
1 837 . 13 1 1 A 76 76 ASP C C 76 177.713 177.659 0.054 1
1 838 . 13 1 1 A 76 76 ASP CA C 76 55.721 54.912 0.809 1
1 839 . 13 1 1 A 76 76 ASP CB C 76 41.513 40.992 0.521 1
1 840 . 13 1 1 A 76 76 ASP N N 76 126.661 125.798 0.863 1
1 841 . 13 1 1 A 77 77 ALA H H 77 8.555 8.724 -0.169 1
1 842 . 13 1 1 A 77 77 ALA HA H 77 3.688 3.750 -0.062 1
1 846 . 13 1 1 A 77 77 ALA C C 77 180.149 179.160 0.989 1
1 847 . 13 1 1 A 77 77 ALA CA C 77 54.334 54.749 -0.415 1
1 848 . 13 1 1 A 77 77 ALA CB C 77 18.453 18.275 0.178 1
1 849 . 13 1 1 A 77 77 ALA N N 77 128.302 126.213 2.089 1
1 850 . 13 1 1 A 78 78 GLU H H 78 9.034 7.848 1.186 1
1 851 . 13 1 1 A 78 78 GLU HA H 78 3.763 4.085 -0.322 1
1 856 . 13 1 1 A 78 78 GLU C C 78 179.359 179.088 0.271 1
1 857 . 13 1 1 A 78 78 GLU CA C 78 59.569 58.867 0.702 1
1 858 . 13 1 1 A 78 78 GLU CB C 78 29.511 29.093 0.418 1
1 860 . 13 1 1 A 78 78 GLU N N 78 117.499 117.911 -0.412 1
1 861 . 13 1 1 A 79 79 VAL H H 79 7.753 7.764 -0.011 1
1 862 . 13 1 1 A 79 79 VAL HA H 79 3.927 3.593 0.334 1
1 870 . 13 1 1 A 79 79 VAL C C 79 177.408 177.932 -0.524 1
1 871 . 13 1 1 A 79 79 VAL CA C 79 64.439 66.323 -1.884 1
1 872 . 13 1 1 A 79 79 VAL CB C 79 31.904 31.474 0.430 1
1 875 . 13 1 1 A 79 79 VAL N N 79 115.536 121.181 -5.645 1
1 876 . 13 1 1 A 80 80 VAL H H 80 7.123 7.625 -0.502 1
1 877 . 13 1 1 A 80 80 VAL HA H 80 4.443 4.025 0.418 1
1 885 . 13 1 1 A 80 80 VAL C C 80 175.020 176.651 -1.631 1
1 886 . 13 1 1 A 80 80 VAL CA C 80 60.286 64.496 -4.210 1
1 887 . 13 1 1 A 80 80 VAL CB C 80 30.948 31.976 -1.028 1
1 890 . 13 1 1 A 80 80 VAL N N 80 109.738 115.775 -6.037 1
1 891 . 13 1 1 A 81 81 GLY H H 81 7.210 7.286 -0.076 1
1 892 . 13 1 1 A 81 81 GLY HA2 H 81 4.511 4.056 0.455 1
1 893 . 13 1 1 A 81 81 GLY HA3 H 81 3.664 4.084 -0.420 1
1 894 . 13 1 1 A 81 81 GLY C C 81 175.262 174.741 0.521 1
1 895 . 13 1 1 A 81 81 GLY CA C 81 44.964 45.279 -0.315 1
1 896 . 13 1 1 A 81 81 GLY N N 81 106.697 110.153 -3.456 1
1 897 . 13 1 1 A 82 82 GLY H H 82 8.673 8.592 0.081 1
1 898 . 13 1 1 A 82 82 GLY HA2 H 82 4.022 3.815 0.207 1
1 899 . 13 1 1 A 82 82 GLY HA3 H 82 3.150 3.830 -0.680 1
1 900 . 13 1 1 A 82 82 GLY C C 82 174.547 174.881 -0.334 1
1 901 . 13 1 1 A 82 82 GLY CA C 82 45.151 47.347 -2.196 1
1 902 . 13 1 1 A 82 82 GLY N N 82 111.931 109.278 2.653 1
1 903 . 13 1 1 A 83 83 MET H H 83 8.841 8.696 0.145 1
1 904 . 13 1 1 A 83 83 MET HA H 83 4.582 4.733 -0.151 1
1 909 . 13 1 1 A 83 83 MET C C 83 176.001 176.093 -0.092 1
1 910 . 13 1 1 A 83 83 MET CA C 83 55.737 55.129 0.608 1
1 911 . 13 1 1 A 83 83 MET CB C 83 30.273 33.278 -3.005 1
1 913 . 13 1 1 A 83 83 MET N N 83 119.840 125.770 -5.930 1
1 914 . 13 1 1 A 84 84 ASP H H 84 7.395 8.591 -1.196 1
1 915 . 13 1 1 A 84 84 ASP HA H 84 4.695 4.940 -0.245 1
1 918 . 13 1 1 A 84 84 ASP C C 84 176.694 175.265 1.429 1
1 919 . 13 1 1 A 84 84 ASP CA C 84 54.300 53.263 1.037 1
1 920 . 13 1 1 A 84 84 ASP CB C 84 41.551 41.395 0.156 1
1 921 . 13 1 1 A 84 84 ASP N N 84 114.478 120.921 -6.443 1
1 922 . 13 1 1 A 85 85 TYR H H 85 7.930 7.828 0.102 1
1 923 . 13 1 1 A 85 85 TYR HA H 85 4.148 4.576 -0.428 1
1 926 . 13 1 1 A 85 85 TYR C C 85 173.845 175.221 -1.376 1
1 927 . 13 1 1 A 85 85 TYR CA C 85 59.520 57.822 1.698 1
1 928 . 13 1 1 A 85 85 TYR CB C 85 38.105 38.806 -0.701 1
1 929 . 13 1 1 A 85 85 TYR N N 85 123.769 121.800 1.969 1
1 930 . 13 1 1 A 86 86 VAL H H 86 7.755 8.367 -0.612 1
1 931 . 13 1 1 A 86 86 VAL HA H 86 3.402 4.399 -0.997 1
1 939 . 13 1 1 A 86 86 VAL C C 86 173.896 175.407 -1.511 1
1 940 . 13 1 1 A 86 86 VAL CA C 86 62.779 60.938 1.841 1
1 941 . 13 1 1 A 86 86 VAL CB C 86 31.843 32.732 -0.889 1
1 944 . 13 1 1 A 86 86 VAL N N 86 130.130 123.616 6.514 1
1 945 . 13 1 1 A 87 87 LEU H H 87 7.069 7.734 -0.665 1
1 946 . 13 1 1 A 87 87 LEU HA H 87 3.833 4.919 -1.086 1
1 956 . 13 1 1 A 87 87 LEU C C 87 176.432 176.167 0.265 1
1 957 . 13 1 1 A 87 87 LEU CA C 87 55.977 52.966 3.011 1
1 958 . 13 1 1 A 87 87 LEU CB C 87 42.126 45.471 -3.345 1
1 962 . 13 1 1 A 87 87 LEU N N 87 121.577 123.035 -1.458 1
1 963 . 13 1 1 A 88 88 ASN H H 88 8.705 8.928 -0.223 1
1 964 . 13 1 1 A 88 88 ASN HA H 88 4.717 4.856 -0.139 1
1 967 . 13 1 1 A 88 88 ASN C C 88 173.156 174.297 -1.141 1
1 968 . 13 1 1 A 88 88 ASN CA C 88 51.471 54.724 -3.253 1
1 969 . 13 1 1 A 88 88 ASN CB C 88 41.622 40.554 1.068 1
1 970 . 13 1 1 A 88 88 ASN N N 88 120.561 117.336 3.225 1
1 971 . 13 1 1 A 89 89 ASP H H 89 8.482 7.902 0.580 1
1 972 . 13 1 1 A 89 89 ASP HA H 89 3.937 4.904 -0.967 1
1 975 . 13 1 1 A 89 89 ASP C C 89 178.751 175.623 3.128 1
1 976 . 13 1 1 A 89 89 ASP CA C 89 56.268 53.679 2.589 1
1 977 . 13 1 1 A 89 89 ASP CB C 89 40.380 42.578 -2.198 1
1 978 . 13 1 1 A 89 89 ASP N N 89 122.084 117.222 4.862 1
1 979 . 13 1 1 A 90 90 GLY H H 90 9.334 8.613 0.721 1
1 980 . 13 1 1 A 90 90 GLY HA2 H 90 4.314 3.948 0.366 1
1 981 . 13 1 1 A 90 90 GLY HA3 H 90 3.619 3.987 -0.368 1
1 982 . 13 1 1 A 90 90 GLY C C 90 174.907 174.216 0.691 1
1 983 . 13 1 1 A 90 90 GLY CA C 90 45.076 45.389 -0.313 1
1 984 . 13 1 1 A 90 90 GLY N N 90 117.218 113.162 4.056 1
1 985 . 13 1 1 A 91 91 ASP H H 91 7.987 8.062 -0.075 1
1 986 . 13 1 1 A 91 91 ASP HA H 91 4.745 4.989 -0.244 1
1 989 . 13 1 1 A 91 91 ASP C C 91 175.436 175.683 -0.247 1
1 990 . 13 1 1 A 91 91 ASP CA C 91 55.954 54.396 1.558 1
1 991 . 13 1 1 A 91 91 ASP CB C 91 41.876 42.252 -0.376 1
1 992 . 13 1 1 A 91 91 ASP N N 91 122.336 121.262 1.074 1
1 993 . 13 1 1 A 92 92 THR H H 92 8.227 8.725 -0.498 1
1 994 . 13 1 1 A 92 92 THR HA H 92 5.093 5.251 -0.158 1
1 999 . 13 1 1 A 92 92 THR C C 92 173.702 172.573 1.129 1
1 1000 . 13 1 1 A 92 92 THR CA C 92 61.477 61.688 -0.211 1
1 1001 . 13 1 1 A 92 92 THR CB C 92 70.032 70.834 -0.802 1
1 1003 . 13 1 1 A 92 92 THR N N 92 115.456 120.149 -4.693 1
1 1004 . 13 1 1 A 93 93 VAL H H 93 9.039 9.090 -0.051 1
1 1005 . 13 1 1 A 93 93 VAL HA H 93 4.731 5.207 -0.476 1
1 1013 . 13 1 1 A 93 93 VAL C C 93 173.391 173.961 -0.570 1
1 1014 . 13 1 1 A 93 93 VAL CA C 93 59.984 59.400 0.584 1
1 1015 . 13 1 1 A 93 93 VAL CB C 93 33.978 34.181 -0.203 1
1 1018 . 13 1 1 A 93 93 VAL N N 93 129.109 127.502 1.607 1
1 1019 . 13 1 1 A 94 94 GLU H H 94 9.012 8.314 0.698 1
1 1020 . 13 1 1 A 94 94 GLU HA H 94 4.941 4.907 0.034 1
1 1025 . 13 1 1 A 94 94 GLU C C 94 173.669 174.926 -1.257 1
1 1026 . 13 1 1 A 94 94 GLU CA C 94 53.577 54.341 -0.764 1
1 1027 . 13 1 1 A 94 94 GLU CB C 94 32.853 34.066 -1.213 1
1 1029 . 13 1 1 A 94 94 GLU N N 94 126.881 127.129 -0.248 1
1 1030 . 13 1 1 A 95 95 PHE H H 95 9.012 8.318 0.694 1
1 1031 . 13 1 1 A 95 95 PHE HA H 95 4.941 5.066 -0.125 1
1 1034 . 13 1 1 A 95 95 PHE C C 95 174.687 174.491 0.196 1
1 1035 . 13 1 1 A 95 95 PHE CA C 95 56.843 56.451 0.392 1
1 1036 . 13 1 1 A 95 95 PHE CB C 95 40.889 40.596 0.293 1
1 1037 . 13 1 1 A 95 95 PHE N N 95 122.718 119.797 2.921 1
1 1038 . 13 1 1 A 96 96 ILE H H 96 9.292 9.311 -0.019 1
1 1039 . 13 1 1 A 96 96 ILE HA H 96 4.573 4.731 -0.158 1
1 1049 . 13 1 1 A 96 96 ILE C C 96 175.897 174.667 1.230 1
1 1050 . 13 1 1 A 96 96 ILE CA C 96 59.748 60.636 -0.888 1
1 1051 . 13 1 1 A 96 96 ILE CB C 96 40.938 39.200 1.738 1
1 1055 . 13 1 1 A 96 96 ILE N N 96 123.112 125.252 -2.140 1
1 1056 . 13 1 1 A 97 97 SER H H 97 8.245 8.522 -0.277 1
1 1057 . 13 1 1 A 97 97 SER HA H 97 4.800 5.083 -0.283 1
1 1060 . 13 1 1 A 97 97 SER C C 97 175.130 174.351 0.779 1
1 1061 . 13 1 1 A 97 97 SER CA C 97 58.154 58.281 -0.127 1
1 1062 . 13 1 1 A 97 97 SER CB C 97 63.137 63.950 -0.813 1
1 1063 . 13 1 1 A 97 97 SER N N 97 121.343 122.931 -1.588 1
1 1064 . 13 1 1 A 98 98 THR H H 98 8.181 9.290 -1.109 1
1 1065 . 13 1 1 A 98 98 THR HA H 98 4.549 4.559 -0.010 1
1 1070 . 13 1 1 A 98 98 THR C C 98 174.729 174.511 0.218 1
1 1071 . 13 1 1 A 98 98 THR CA C 98 61.603 62.304 -0.701 1
1 1072 . 13 1 1 A 98 98 THR CB C 98 69.890 70.155 -0.265 1
1 1074 . 13 1 1 A 98 98 THR N N 98 116.451 117.577 -1.126 1
1 1075 . 13 1 1 A 99 99 LEU H H 99 8.033 7.796 0.237 1
1 1076 . 13 1 1 A 99 99 LEU HA H 99 4.234 4.397 -0.163 1
1 1086 . 13 1 1 A 99 99 LEU C C 99 177.349 176.168 1.181 1
1 1087 . 13 1 1 A 99 99 LEU CA C 99 55.517 55.099 0.418 1
1 1088 . 13 1 1 A 99 99 LEU CB C 99 41.996 42.778 -0.782 1
1 1092 . 13 1 1 A 99 99 LEU N N 99 122.869 123.450 -0.581 1
1 1093 . 13 1 1 A 100 100 HIS H H 100 8.558 8.800 -0.242 1
1 1094 . 13 1 1 A 100 100 HIS HA H 100 4.460 5.073 -0.613 1
1 1097 . 13 1 1 A 100 100 HIS C C 100 175.718 174.566 1.152 1
1 1098 . 13 1 1 A 100 100 HIS CA C 100 56.096 54.380 1.716 1
1 1099 . 13 1 1 A 100 100 HIS CB C 100 29.709 31.237 -1.528 1
1 1100 . 13 1 1 A 100 100 HIS N N 100 120.437 126.537 -6.100 1
1 1101 . 13 1 1 A 101 101 GLY H H 101 8.477 8.249 0.228 1
1 1102 . 13 1 1 A 101 101 GLY HA2 H 101 3.888 3.901 -0.013 1
1 1103 . 13 1 1 A 101 101 GLY HA3 H 101 3.888 3.913 -0.025 1
1 1104 . 13 1 1 A 101 101 GLY C C 101 174.614 173.607 1.007 1
1 1105 . 13 1 1 A 101 101 GLY CA C 101 45.529 46.093 -0.564 1
1 1106 . 13 1 1 A 101 101 GLY N N 101 110.340 112.666 -2.326 1
1 7 . 14 1 1 A 2 2 SER H H 2 8.206 8.317 -0.111 1
1 8 . 14 1 1 A 2 2 SER N N 2 126.498 115.486 11.012 1
1 9 . 14 1 1 A 3 3 ASN HA H 3 5.166 4.258 0.908 1
1 12 . 14 1 1 A 3 3 ASN C C 3 175.527 174.423 1.104 1
1 13 . 14 1 1 A 3 3 ASN CA C 3 51.466 54.227 -2.761 1
1 14 . 14 1 1 A 3 3 ASN CB C 3 39.931 37.529 2.402 1
1 15 . 14 1 1 A 4 4 HIS H H 4 8.859 7.863 0.996 1
1 16 . 14 1 1 A 4 4 HIS HA H 4 4.165 4.929 -0.764 1
1 19 . 14 1 1 A 4 4 HIS C C 4 175.897 174.058 1.839 1
1 20 . 14 1 1 A 4 4 HIS CA C 4 56.644 55.018 1.626 1
1 21 . 14 1 1 A 4 4 HIS CB C 4 30.122 32.431 -2.309 1
1 22 . 14 1 1 A 4 4 HIS N N 4 120.656 118.035 2.621 1
1 23 . 14 1 1 A 5 5 ASN H H 5 8.263 8.639 -0.376 1
1 24 . 14 1 1 A 5 5 ASN HA H 5 4.274 4.526 -0.252 1
1 27 . 14 1 1 A 5 5 ASN C C 5 177.939 174.522 3.417 1
1 28 . 14 1 1 A 5 5 ASN CA C 5 57.261 55.068 2.193 1
1 29 . 14 1 1 A 5 5 ASN CB C 5 38.232 37.195 1.037 1
1 30 . 14 1 1 A 5 5 ASN N N 5 121.699 122.523 -0.824 1
1 31 . 14 1 1 A 6 6 HIS H H 6 9.675 8.798 0.877 1
1 32 . 14 1 1 A 6 6 HIS HA H 6 5.261 4.417 0.844 1
1 35 . 14 1 1 A 6 6 HIS C C 6 171.876 173.374 -1.498 1
1 36 . 14 1 1 A 6 6 HIS CA C 6 56.016 57.991 -1.975 1
1 37 . 14 1 1 A 6 6 HIS CB C 6 31.324 28.501 2.823 1
1 38 . 14 1 1 A 6 6 HIS N N 6 117.245 115.796 1.449 1
1 39 . 14 1 1 A 7 7 ILE H H 7 7.753 8.282 -0.529 1
1 40 . 14 1 1 A 7 7 ILE HA H 7 4.442 4.990 -0.548 1
1 50 . 14 1 1 A 7 7 ILE C C 7 174.518 174.685 -0.167 1
1 51 . 14 1 1 A 7 7 ILE CA C 7 57.922 59.959 -2.037 1
1 52 . 14 1 1 A 7 7 ILE CB C 7 39.790 41.128 -1.338 1
1 56 . 14 1 1 A 7 7 ILE N N 7 126.114 119.652 6.462 1
1 57 . 14 1 1 A 8 8 THR H H 8 8.238 8.483 -0.245 1
1 58 . 14 1 1 A 8 8 THR HA H 8 4.733 4.857 -0.124 1
1 63 . 14 1 1 A 8 8 THR C C 8 172.672 172.557 0.115 1
1 64 . 14 1 1 A 8 8 THR CA C 8 62.203 61.795 0.408 1
1 65 . 14 1 1 A 8 8 THR CB C 8 70.202 68.587 1.615 1
1 67 . 14 1 1 A 8 8 THR N N 8 123.879 122.998 0.881 1
1 68 . 14 1 1 A 9 9 VAL H H 9 8.717 8.981 -0.264 1
1 69 . 14 1 1 A 9 9 VAL HA H 9 5.165 4.935 0.230 1
1 77 . 14 1 1 A 9 9 VAL C C 9 173.545 174.658 -1.113 1
1 78 . 14 1 1 A 9 9 VAL CA C 9 59.279 60.130 -0.851 1
1 79 . 14 1 1 A 9 9 VAL CB C 9 33.495 33.544 -0.049 1
1 82 . 14 1 1 A 9 9 VAL N N 9 124.808 127.218 -2.410 1
1 83 . 14 1 1 A 10 10 GLN H H 10 8.863 8.117 0.746 1
1 84 . 14 1 1 A 10 10 GLN HA H 10 4.841 4.963 -0.122 1
1 87 . 14 1 1 A 10 10 GLN C C 10 173.774 173.340 0.434 1
1 88 . 14 1 1 A 10 10 GLN CA C 10 53.092 53.329 -0.237 1
1 89 . 14 1 1 A 10 10 GLN CB C 10 32.226 32.369 -0.143 1
1 91 . 14 1 1 A 10 10 GLN N N 10 123.709 126.302 -2.593 1
1 92 . 14 1 1 A 11 11 PHE H H 11 8.252 8.522 -0.270 1
1 93 . 14 1 1 A 11 11 PHE HA H 11 5.661 5.435 0.226 1
1 96 . 14 1 1 A 11 11 PHE C C 11 175.180 174.772 0.408 1
1 97 . 14 1 1 A 11 11 PHE CA C 11 55.799 56.553 -0.754 1
1 98 . 14 1 1 A 11 11 PHE CB C 11 43.197 43.577 -0.380 1
1 99 . 14 1 1 A 11 11 PHE N N 11 119.002 116.527 2.475 1
1 100 . 14 1 1 A 12 12 ALA H H 12 8.989 8.358 0.631 1
1 101 . 14 1 1 A 12 12 ALA HA H 12 4.971 4.614 0.357 1
1 105 . 14 1 1 A 12 12 ALA C C 12 179.413 176.393 3.020 1
1 106 . 14 1 1 A 12 12 ALA CA C 12 51.675 51.747 -0.072 1
1 107 . 14 1 1 A 12 12 ALA CB C 12 23.716 22.132 1.584 1
1 108 . 14 1 1 A 12 12 ALA N N 12 123.388 121.947 1.441 1
1 109 . 14 1 1 A 13 13 GLY H H 13 9.188 9.138 0.050 1
1 110 . 14 1 1 A 13 13 GLY HA2 H 13 4.477 3.903 0.574 1
1 111 . 14 1 1 A 13 13 GLY HA3 H 13 3.937 3.911 0.026 1
1 112 . 14 1 1 A 13 13 GLY C C 13 173.600 175.357 -1.757 1
1 113 . 14 1 1 A 13 13 GLY CA C 13 46.252 46.793 -0.541 1
1 114 . 14 1 1 A 13 13 GLY N N 13 110.134 110.036 0.098 1
1 115 . 14 1 1 A 14 14 GLY H H 14 9.510 8.706 0.804 1
1 116 . 14 1 1 A 14 14 GLY HA2 H 14 4.600 3.930 0.670 1
1 117 . 14 1 1 A 14 14 GLY HA3 H 14 3.453 3.930 -0.477 1
1 118 . 14 1 1 A 14 14 GLY C C 14 177.136 174.574 2.562 1
1 119 . 14 1 1 A 14 14 GLY CA C 14 44.792 46.866 -2.074 1
1 120 . 14 1 1 A 14 14 GLY N N 14 109.966 105.785 4.181 1
1 121 . 14 1 1 A 15 15 CYS H H 15 7.748 8.251 -0.503 1
1 122 . 14 1 1 A 15 15 CYS HA H 15 3.883 4.608 -0.725 1
1 125 . 14 1 1 A 15 15 CYS C C 15 175.011 176.606 -1.595 1
1 126 . 14 1 1 A 15 15 CYS CA C 15 62.034 59.963 2.071 1
1 127 . 14 1 1 A 15 15 CYS N N 15 121.082 120.251 0.831 1
1 128 . 14 1 1 A 16 16 GLU H H 16 7.837 8.542 -0.705 1
1 129 . 14 1 1 A 16 16 GLU HA H 16 4.009 3.576 0.433 1
1 134 . 14 1 1 A 16 16 GLU C C 16 178.419 177.227 1.192 1
1 135 . 14 1 1 A 16 16 GLU CA C 16 58.599 58.640 -0.041 1
1 136 . 14 1 1 A 16 16 GLU CB C 16 27.745 28.215 -0.470 1
1 138 . 14 1 1 A 16 16 GLU N N 16 120.416 118.291 2.125 1
1 139 . 14 1 1 A 17 17 LEU H H 17 7.626 7.881 -0.255 1
1 140 . 14 1 1 A 17 17 LEU HA H 17 3.927 4.108 -0.181 1
1 150 . 14 1 1 A 17 17 LEU C C 17 178.349 177.824 0.525 1
1 151 . 14 1 1 A 17 17 LEU CA C 17 57.105 56.384 0.721 1
1 152 . 14 1 1 A 17 17 LEU CB C 17 40.474 41.421 -0.947 1
1 156 . 14 1 1 A 17 17 LEU N N 17 122.648 120.973 1.675 1
1 157 . 14 1 1 A 18 18 LEU H H 18 7.488 7.403 0.085 1
1 158 . 14 1 1 A 18 18 LEU HA H 18 4.143 4.171 -0.028 1
1 168 . 14 1 1 A 18 18 LEU C C 18 175.859 176.749 -0.890 1
1 169 . 14 1 1 A 18 18 LEU CA C 18 55.729 56.051 -0.322 1
1 170 . 14 1 1 A 18 18 LEU CB C 18 40.532 41.463 -0.931 1
1 174 . 14 1 1 A 18 18 LEU N N 18 117.565 117.431 0.134 1
1 175 . 14 1 1 A 19 19 PHE H H 19 7.164 7.610 -0.446 1
1 176 . 14 1 1 A 19 19 PHE HA H 19 4.395 5.173 -0.778 1
1 179 . 14 1 1 A 19 19 PHE C C 19 176.362 175.569 0.793 1
1 180 . 14 1 1 A 19 19 PHE CA C 19 56.373 58.918 -2.545 1
1 181 . 14 1 1 A 19 19 PHE CB C 19 39.143 40.761 -1.618 1
1 182 . 14 1 1 A 19 19 PHE N N 19 117.899 120.001 -2.102 1
1 183 . 14 1 1 A 20 20 ALA H H 20 8.780 7.475 1.305 1
1 184 . 14 1 1 A 20 20 ALA HA H 20 4.087 4.503 -0.416 1
1 188 . 14 1 1 A 20 20 ALA C C 20 176.512 177.267 -0.755 1
1 189 . 14 1 1 A 20 20 ALA CA C 20 53.279 51.328 1.951 1
1 190 . 14 1 1 A 20 20 ALA CB C 20 17.047 19.387 -2.340 1
1 191 . 14 1 1 A 20 20 ALA N N 20 123.417 119.769 3.648 1
1 192 . 14 1 1 A 21 21 LYS H H 21 7.825 7.934 -0.109 1
1 193 . 14 1 1 A 21 21 LYS HA H 21 3.181 3.757 -0.576 1
1 202 . 14 1 1 A 21 21 LYS C C 21 175.295 175.759 -0.464 1
1 203 . 14 1 1 A 21 21 LYS CA C 21 58.666 57.222 1.444 1
1 204 . 14 1 1 A 21 21 LYS CB C 21 29.784 29.683 0.101 1
1 208 . 14 1 1 A 21 21 LYS N N 21 108.448 112.460 -4.012 1
1 209 . 14 1 1 A 22 22 GLN H H 22 7.611 7.949 -0.338 1
1 210 . 14 1 1 A 22 22 GLN HA H 22 4.429 4.466 -0.037 1
1 215 . 14 1 1 A 22 22 GLN C C 22 174.967 176.480 -1.513 1
1 216 . 14 1 1 A 22 22 GLN CA C 22 56.105 55.864 0.241 1
1 217 . 14 1 1 A 22 22 GLN CB C 22 29.548 30.348 -0.800 1
1 219 . 14 1 1 A 22 22 GLN N N 22 120.482 117.829 2.653 1
1 220 . 14 1 1 A 23 23 THR H H 23 8.201 8.850 -0.649 1
1 221 . 14 1 1 A 23 23 THR HA H 23 4.491 4.618 -0.127 1
1 226 . 14 1 1 A 23 23 THR C C 23 175.012 174.834 0.178 1
1 227 . 14 1 1 A 23 23 THR CA C 23 62.436 62.425 0.011 1
1 228 . 14 1 1 A 23 23 THR CB C 23 69.501 69.801 -0.300 1
1 229 . 14 1 1 A 23 23 THR N N 23 110.354 112.997 -2.643 1
1 230 . 14 1 1 A 24 24 SER H H 24 7.751 7.809 -0.058 1
1 231 . 14 1 1 A 24 24 SER HA H 24 5.136 4.741 0.395 1
1 234 . 14 1 1 A 24 24 SER C C 24 172.623 172.311 0.312 1
1 235 . 14 1 1 A 24 24 SER CA C 24 57.192 57.640 -0.448 1
1 236 . 14 1 1 A 24 24 SER CB C 24 65.459 65.094 0.365 1
1 237 . 14 1 1 A 24 24 SER N N 24 114.575 113.277 1.298 1
1 238 . 14 1 1 A 25 25 LEU H H 25 9.272 8.864 0.408 1
1 239 . 14 1 1 A 25 25 LEU HA H 25 4.531 4.987 -0.456 1
1 249 . 14 1 1 A 25 25 LEU C C 25 174.436 175.780 -1.344 1
1 250 . 14 1 1 A 25 25 LEU CA C 25 53.929 53.629 0.300 1
1 251 . 14 1 1 A 25 25 LEU CB C 25 45.561 46.869 -1.308 1
1 255 . 14 1 1 A 25 25 LEU N N 25 124.288 122.592 1.696 1
1 256 . 14 1 1 A 26 26 GLN H H 26 8.573 8.587 -0.014 1
1 257 . 14 1 1 A 26 26 GLN HA H 26 4.607 5.785 -1.178 1
1 262 . 14 1 1 A 26 26 GLN C C 26 173.250 174.632 -1.382 1
1 263 . 14 1 1 A 26 26 GLN CA C 26 54.207 54.278 -0.071 1
1 264 . 14 1 1 A 26 26 GLN CB C 26 27.813 31.990 -4.177 1
1 266 . 14 1 1 A 26 26 GLN N N 26 122.971 119.894 3.077 1
1 267 . 14 1 1 A 27 27 LEU H H 27 8.753 8.924 -0.171 1
1 268 . 14 1 1 A 27 27 LEU HA H 27 4.414 4.831 -0.417 1
1 272 . 14 1 1 A 27 27 LEU C C 27 175.313 175.188 0.125 1
1 273 . 14 1 1 A 27 27 LEU CA C 27 53.132 53.182 -0.050 1
1 274 . 14 1 1 A 27 27 LEU CB C 27 40.489 44.663 -4.174 1
1 278 . 14 1 1 A 27 27 LEU N N 27 126.504 125.146 1.358 1
1 279 . 14 1 1 A 28 28 ASP H H 28 8.568 8.702 -0.134 1
1 280 . 14 1 1 A 28 28 ASP HA H 28 4.414 5.227 -0.813 1
1 283 . 14 1 1 A 28 28 ASP C C 28 176.147 175.219 0.928 1
1 284 . 14 1 1 A 28 28 ASP CA C 28 53.407 52.188 1.219 1
1 285 . 14 1 1 A 28 28 ASP CB C 28 40.535 43.580 -3.045 1
1 286 . 14 1 1 A 28 28 ASP N N 28 112.805 123.979 -11.174 1
1 287 . 14 1 1 A 29 29 GLY H H 29 7.770 8.819 -1.049 1
1 288 . 14 1 1 A 29 29 GLY HA2 H 29 3.942 4.261 -0.319 1
1 289 . 14 1 1 A 29 29 GLY HA3 H 29 3.806 4.267 -0.461 1
1 290 . 14 1 1 A 29 29 GLY C C 29 174.455 174.489 -0.034 1
1 291 . 14 1 1 A 29 29 GLY CA C 29 47.297 43.792 3.505 1
1 292 . 14 1 1 A 29 29 GLY N N 29 129.863 113.469 16.394 1
1 293 . 14 1 1 A 30 30 VAL H H 30 7.792 8.667 -0.875 1
1 294 . 14 1 1 A 30 30 VAL HA H 30 4.391 4.366 0.025 1
1 302 . 14 1 1 A 30 30 VAL C C 30 174.315 176.161 -1.846 1
1 303 . 14 1 1 A 30 30 VAL CA C 30 62.180 62.263 -0.083 1
1 304 . 14 1 1 A 30 30 VAL CB C 30 35.931 33.406 2.525 1
1 307 . 14 1 1 A 30 30 VAL N N 30 112.711 118.378 -5.667 1
1 308 . 14 1 1 A 31 31 VAL H H 31 8.748 7.815 0.933 1
1 309 . 14 1 1 A 31 31 VAL C C 31 172.882 175.287 -2.405 1
1 310 . 14 1 1 A 31 31 VAL CA C 31 62.284 59.194 3.090 1
1 311 . 14 1 1 A 31 31 VAL CB C 31 33.804 31.707 2.097 1
1 312 . 14 1 1 A 31 31 VAL N N 31 123.316 119.604 3.712 1
1 313 . 14 1 1 A 32 32 PRO HA H 32 5.038 4.496 0.542 1
1 320 . 14 1 1 A 32 32 PRO C C 32 179.633 177.880 1.753 1
1 321 . 14 1 1 A 32 32 PRO CA C 32 63.073 63.913 -0.840 1
1 322 . 14 1 1 A 32 32 PRO CB C 32 32.421 32.109 0.312 1
1 325 . 14 1 1 A 33 33 THR H H 33 8.739 7.882 0.857 1
1 326 . 14 1 1 A 33 33 THR HA H 33 3.896 3.935 -0.039 1
1 331 . 14 1 1 A 33 33 THR C C 33 174.735 176.333 -1.598 1
1 332 . 14 1 1 A 33 33 THR CA C 33 64.329 66.228 -1.899 1
1 333 . 14 1 1 A 33 33 THR CB C 33 67.929 68.321 -0.392 1
1 335 . 14 1 1 A 33 33 THR N N 33 120.858 112.363 8.495 1
1 336 . 14 1 1 A 34 34 GLY H H 34 8.303 8.040 0.263 1
1 337 . 14 1 1 A 34 34 GLY HA2 H 34 4.359 3.919 0.440 1
1 338 . 14 1 1 A 34 34 GLY HA3 H 34 3.451 3.924 -0.473 1
1 339 . 14 1 1 A 34 34 GLY C C 34 174.037 173.374 0.663 1
1 340 . 14 1 1 A 34 34 GLY CA C 34 45.067 45.627 -0.560 1
1 341 . 14 1 1 A 34 34 GLY N N 34 114.645 108.245 6.400 1
1 342 . 14 1 1 A 35 35 THR H H 35 7.405 7.253 0.152 1
1 343 . 14 1 1 A 35 35 THR HA H 35 4.073 4.948 -0.875 1
1 348 . 14 1 1 A 35 35 THR C C 35 174.540 174.276 0.264 1
1 349 . 14 1 1 A 35 35 THR CA C 35 65.137 61.020 4.117 1
1 350 . 14 1 1 A 35 35 THR CB C 35 69.484 70.796 -1.312 1
1 352 . 14 1 1 A 35 35 THR N N 35 117.340 114.626 2.714 1
1 353 . 14 1 1 A 36 36 ASN H H 36 8.836 8.611 0.225 1
1 354 . 14 1 1 A 36 36 ASN HA H 36 5.686 5.108 0.578 1
1 357 . 14 1 1 A 36 36 ASN C C 36 176.512 175.762 0.750 1
1 358 . 14 1 1 A 36 36 ASN CA C 36 50.439 51.148 -0.709 1
1 359 . 14 1 1 A 36 36 ASN CB C 36 40.274 39.566 0.708 1
1 360 . 14 1 1 A 36 36 ASN N N 36 127.379 125.584 1.795 1
1 361 . 14 1 1 A 37 37 LEU H H 37 8.045 8.823 -0.778 1
1 362 . 14 1 1 A 37 37 LEU HA H 37 4.142 4.085 0.057 1
1 372 . 14 1 1 A 37 37 LEU C C 37 178.931 178.253 0.678 1
1 373 . 14 1 1 A 37 37 LEU CA C 37 59.274 58.364 0.910 1
1 374 . 14 1 1 A 37 37 LEU CB C 37 42.159 41.356 0.803 1
1 378 . 14 1 1 A 37 37 LEU N N 37 119.164 120.301 -1.137 1
1 379 . 14 1 1 A 38 38 ASN H H 38 7.959 8.297 -0.338 1
1 380 . 14 1 1 A 38 38 ASN HA H 38 4.502 4.407 0.095 1
1 383 . 14 1 1 A 38 38 ASN C C 38 178.691 178.311 0.380 1
1 384 . 14 1 1 A 38 38 ASN CA C 38 57.080 56.496 0.584 1
1 385 . 14 1 1 A 38 38 ASN CB C 38 38.367 38.819 -0.452 1
1 386 . 14 1 1 A 38 38 ASN N N 38 118.522 117.160 1.362 1
1 387 . 14 1 1 A 39 39 GLY H H 39 8.828 8.025 0.803 1
1 388 . 14 1 1 A 39 39 GLY HA2 H 39 4.088 3.694 0.394 1
1 389 . 14 1 1 A 39 39 GLY HA3 H 39 3.911 3.695 0.216 1
1 390 . 14 1 1 A 39 39 GLY C C 39 177.320 175.496 1.824 1
1 391 . 14 1 1 A 39 39 GLY CA C 39 46.879 47.357 -0.478 1
1 392 . 14 1 1 A 39 39 GLY N N 39 109.615 107.358 2.257 1
1 393 . 14 1 1 A 40 40 LEU H H 40 8.829 8.021 0.808 1
1 394 . 14 1 1 A 40 40 LEU HA H 40 4.504 4.065 0.439 1
1 404 . 14 1 1 A 40 40 LEU C C 40 177.788 178.470 -0.682 1
1 405 . 14 1 1 A 40 40 LEU CA C 40 57.770 57.865 -0.095 1
1 406 . 14 1 1 A 40 40 LEU CB C 40 41.713 42.047 -0.334 1
1 410 . 14 1 1 A 40 40 LEU N N 40 125.884 123.158 2.726 1
1 411 . 14 1 1 A 41 41 VAL H H 41 8.333 8.391 -0.058 1
1 412 . 14 1 1 A 41 41 VAL HA H 41 3.328 3.877 -0.549 1
1 420 . 14 1 1 A 41 41 VAL C C 41 177.556 177.654 -0.098 1
1 421 . 14 1 1 A 41 41 VAL CA C 41 67.977 65.256 2.721 1
1 422 . 14 1 1 A 41 41 VAL CB C 41 31.080 31.112 -0.032 1
1 425 . 14 1 1 A 41 41 VAL N N 41 120.213 117.044 3.169 1
1 426 . 14 1 1 A 42 42 GLN H H 42 7.672 8.087 -0.415 1
1 427 . 14 1 1 A 42 42 GLN HA H 42 3.866 3.976 -0.110 1
1 432 . 14 1 1 A 42 42 GLN C C 42 177.980 178.193 -0.213 1
1 433 . 14 1 1 A 42 42 GLN CA C 42 58.694 59.015 -0.321 1
1 434 . 14 1 1 A 42 42 GLN CB C 42 27.809 28.441 -0.632 1
1 436 . 14 1 1 A 42 42 GLN N N 42 116.386 121.803 -5.417 1
1 437 . 14 1 1 A 43 43 LEU H H 43 8.080 7.529 0.551 1
1 438 . 14 1 1 A 43 43 LEU HA H 43 4.225 4.179 0.046 1
1 448 . 14 1 1 A 43 43 LEU C C 43 179.999 178.433 1.566 1
1 449 . 14 1 1 A 43 43 LEU CA C 43 58.275 57.365 0.910 1
1 450 . 14 1 1 A 43 43 LEU CB C 43 43.046 41.245 1.801 1
1 454 . 14 1 1 A 43 43 LEU N N 43 122.204 120.586 1.618 1
1 455 . 14 1 1 A 44 44 LEU H H 44 8.810 8.208 0.602 1
1 456 . 14 1 1 A 44 44 LEU HA H 44 4.384 4.330 0.054 1
1 466 . 14 1 1 A 44 44 LEU C C 44 179.311 178.828 0.483 1
1 467 . 14 1 1 A 44 44 LEU CA C 44 58.397 57.264 1.133 1
1 468 . 14 1 1 A 44 44 LEU CB C 44 41.553 42.518 -0.965 1
1 472 . 14 1 1 A 44 44 LEU N N 44 119.371 117.777 1.594 1
1 473 . 14 1 1 A 45 45 LYS H H 45 8.652 8.631 0.021 1
1 474 . 14 1 1 A 45 45 LYS HA H 45 3.678 4.236 -0.558 1
1 483 . 14 1 1 A 45 45 LYS C C 45 177.005 179.002 -1.997 1
1 484 . 14 1 1 A 45 45 LYS CA C 45 60.016 58.969 1.047 1
1 485 . 14 1 1 A 45 45 LYS CB C 45 32.411 32.316 0.095 1
1 489 . 14 1 1 A 45 45 LYS N N 45 120.434 120.348 0.086 1
1 490 . 14 1 1 A 46 46 THR H H 46 8.180 8.330 -0.150 1
1 491 . 14 1 1 A 46 46 THR HA H 46 4.027 4.088 -0.061 1
1 496 . 14 1 1 A 46 46 THR C C 46 176.217 176.367 -0.150 1
1 497 . 14 1 1 A 46 46 THR CA C 46 65.173 65.845 -0.672 1
1 498 . 14 1 1 A 46 46 THR CB C 46 69.680 68.596 1.084 1
1 500 . 14 1 1 A 46 46 THR N N 46 109.149 115.481 -6.332 1
1 501 . 14 1 1 A 47 47 ASN H H 47 8.170 7.873 0.297 1
1 502 . 14 1 1 A 47 47 ASN HA H 47 4.785 4.692 0.093 1
1 505 . 14 1 1 A 47 47 ASN C C 47 175.267 175.351 -0.084 1
1 506 . 14 1 1 A 47 47 ASN CA C 47 54.213 54.651 -0.438 1
1 507 . 14 1 1 A 47 47 ASN CB C 47 40.712 39.840 0.872 1
1 508 . 14 1 1 A 47 47 ASN N N 47 116.045 118.011 -1.966 1
1 509 . 14 1 1 A 48 48 TYR H H 48 8.094 7.993 0.101 1
1 510 . 14 1 1 A 48 48 TYR HA H 48 4.695 5.199 -0.504 1
1 513 . 14 1 1 A 48 48 TYR C C 48 175.011 176.701 -1.690 1
1 514 . 14 1 1 A 48 48 TYR CA C 48 60.273 56.345 3.928 1
1 515 . 14 1 1 A 48 48 TYR CB C 48 41.189 38.053 3.136 1
1 516 . 14 1 1 A 48 48 TYR N N 48 115.849 116.976 -1.127 1
1 517 . 14 1 1 A 49 49 VAL H H 49 7.769 7.817 -0.048 1
1 518 . 14 1 1 A 49 49 VAL HA H 49 3.715 4.345 -0.630 1
1 526 . 14 1 1 A 49 49 VAL C C 49 176.157 175.801 0.356 1
1 527 . 14 1 1 A 49 49 VAL CA C 49 63.454 63.836 -0.382 1
1 528 . 14 1 1 A 49 49 VAL CB C 49 31.695 32.962 -1.267 1
1 531 . 14 1 1 A 49 49 VAL N N 49 120.510 121.498 -0.988 1
1 532 . 14 1 1 A 50 50 LYS H H 50 8.334 7.848 0.486 1
1 533 . 14 1 1 A 50 50 LYS HA H 50 4.242 3.638 0.604 1
1 542 . 14 1 1 A 50 50 LYS C C 50 176.562 174.883 1.679 1
1 543 . 14 1 1 A 50 50 LYS CA C 50 55.979 57.593 -1.614 1
1 544 . 14 1 1 A 50 50 LYS CB C 50 32.822 29.271 3.551 1
1 548 . 14 1 1 A 50 50 LYS N N 50 125.933 119.998 5.935 1
1 549 . 14 1 1 A 51 51 GLU H H 51 7.598 7.684 -0.086 1
1 550 . 14 1 1 A 51 51 GLU HA H 51 4.328 4.574 -0.246 1
1 553 . 14 1 1 A 51 51 GLU C C 51 172.975 173.992 -1.017 1
1 554 . 14 1 1 A 51 51 GLU CA C 51 55.074 54.978 0.096 1
1 555 . 14 1 1 A 51 51 GLU CB C 51 32.633 32.791 -0.158 1
1 557 . 14 1 1 A 51 51 GLU N N 51 117.804 118.717 -0.913 1
1 558 . 14 1 1 A 52 52 ARG H H 52 8.383 8.564 -0.181 1
1 559 . 14 1 1 A 52 52 ARG CA C 52 53.279 53.647 -0.368 1
1 560 . 14 1 1 A 52 52 ARG CB C 52 26.615 30.967 -4.352 1
1 561 . 14 1 1 A 52 52 ARG N N 52 111.793 121.956 -10.163 1
1 562 . 14 1 1 A 53 53 PRO HA H 53 4.029 4.317 -0.288 1
1 569 . 14 1 1 A 53 53 PRO C C 53 177.018 177.282 -0.264 1
1 570 . 14 1 1 A 53 53 PRO CA C 53 65.474 64.682 0.792 1
1 571 . 14 1 1 A 53 53 PRO CB C 53 30.916 31.913 -0.997 1
1 574 . 14 1 1 A 53 53 PRO N N 53 111.793 141.452 -29.659 1
1 575 . 14 1 1 A 54 54 ASP H H 54 8.462 8.386 0.076 1
1 576 . 14 1 1 A 54 54 ASP HA H 54 4.345 4.720 -0.375 1
1 579 . 14 1 1 A 54 54 ASP C C 54 176.493 177.041 -0.548 1
1 580 . 14 1 1 A 54 54 ASP CA C 54 54.982 54.464 0.518 1
1 581 . 14 1 1 A 54 54 ASP CB C 54 39.451 40.706 -1.255 1
1 582 . 14 1 1 A 54 54 ASP N N 54 113.848 118.168 -4.320 1
1 583 . 14 1 1 A 55 55 LEU H H 55 7.766 7.876 -0.110 1
1 584 . 14 1 1 A 55 55 LEU HA H 55 4.235 4.177 0.058 1
1 594 . 14 1 1 A 55 55 LEU C C 55 175.873 178.516 -2.643 1
1 595 . 14 1 1 A 55 55 LEU CA C 55 55.305 56.731 -1.426 1
1 596 . 14 1 1 A 55 55 LEU CB C 55 41.271 42.445 -1.174 1
1 600 . 14 1 1 A 55 55 LEU N N 55 117.721 117.706 0.015 1
1 601 . 14 1 1 A 56 56 LEU H H 56 7.630 7.727 -0.097 1
1 602 . 14 1 1 A 56 56 LEU HA H 56 4.552 4.323 0.229 1
1 612 . 14 1 1 A 56 56 LEU C C 56 175.341 177.055 -1.714 1
1 613 . 14 1 1 A 56 56 LEU CA C 56 55.516 56.616 -1.100 1
1 614 . 14 1 1 A 56 56 LEU CB C 56 44.910 42.628 2.282 1
1 618 . 14 1 1 A 56 56 LEU N N 56 118.796 116.629 2.167 1
1 619 . 14 1 1 A 57 57 VAL H H 57 7.206 6.780 0.426 1
1 620 . 14 1 1 A 57 57 VAL HA H 57 5.048 3.956 1.092 1
1 628 . 14 1 1 A 57 57 VAL C C 57 175.020 175.937 -0.917 1
1 629 . 14 1 1 A 57 57 VAL CA C 57 58.550 62.048 -3.498 1
1 630 . 14 1 1 A 57 57 VAL CB C 57 35.049 32.607 2.442 1
1 633 . 14 1 1 A 57 57 VAL N N 57 106.872 120.281 -13.409 1
1 634 . 14 1 1 A 58 58 ASP H H 58 8.447 9.510 -1.063 1
1 635 . 14 1 1 A 58 58 ASP HA H 58 4.459 4.311 0.148 1
1 638 . 14 1 1 A 58 58 ASP C C 58 177.406 177.096 0.310 1
1 639 . 14 1 1 A 58 58 ASP CA C 58 53.130 57.020 -3.890 1
1 640 . 14 1 1 A 58 58 ASP CB C 58 40.985 41.316 -0.331 1
1 641 . 14 1 1 A 58 58 ASP N N 58 118.741 123.904 -5.163 1
1 642 . 14 1 1 A 59 59 GLN H H 59 8.883 8.167 0.716 1
1 643 . 14 1 1 A 59 59 GLN HA H 59 4.031 4.490 -0.459 1
1 648 . 14 1 1 A 59 59 GLN C C 59 177.499 176.804 0.695 1
1 649 . 14 1 1 A 59 59 GLN CA C 59 59.120 56.979 2.141 1
1 650 . 14 1 1 A 59 59 GLN CB C 59 28.389 31.576 -3.187 1
1 652 . 14 1 1 A 59 59 GLN N N 59 119.603 115.338 4.265 1
1 653 . 14 1 1 A 60 60 THR H H 60 8.060 8.086 -0.026 1
1 654 . 14 1 1 A 60 60 THR HA H 60 4.296 4.433 -0.137 1
1 659 . 14 1 1 A 60 60 THR C C 60 176.363 175.277 1.086 1
1 660 . 14 1 1 A 60 60 THR CA C 60 63.358 62.312 1.046 1
1 661 . 14 1 1 A 60 60 THR CB C 60 70.577 69.298 1.279 1
1 663 . 14 1 1 A 60 60 THR N N 60 109.323 108.369 0.954 1
1 664 . 14 1 1 A 61 61 GLY H H 61 8.001 8.007 -0.006 1
1 665 . 14 1 1 A 61 61 GLY HA2 H 61 4.173 3.888 0.285 1
1 666 . 14 1 1 A 61 61 GLY HA3 H 61 3.610 3.890 -0.280 1
1 667 . 14 1 1 A 61 61 GLY C C 61 174.049 174.298 -0.249 1
1 668 . 14 1 1 A 61 61 GLY CA C 61 45.301 46.443 -1.142 1
1 669 . 14 1 1 A 61 61 GLY N N 61 109.323 110.742 -1.419 1
1 670 . 14 1 1 A 62 62 GLN H H 62 8.091 7.941 0.150 1
1 671 . 14 1 1 A 62 62 GLN HA H 62 4.172 4.872 -0.700 1
1 674 . 14 1 1 A 62 62 GLN C C 62 175.201 175.106 0.095 1
1 675 . 14 1 1 A 62 62 GLN CA C 62 56.474 56.903 -0.429 1
1 676 . 14 1 1 A 62 62 GLN CB C 62 30.618 31.194 -0.576 1
1 678 . 14 1 1 A 62 62 GLN N N 62 117.247 119.581 -2.334 1
1 679 . 14 1 1 A 63 63 THR H H 63 7.740 7.857 -0.117 1
1 680 . 14 1 1 A 63 63 THR HA H 63 4.624 4.756 -0.132 1
1 685 . 14 1 1 A 63 63 THR C C 63 172.622 173.262 -0.640 1
1 686 . 14 1 1 A 63 63 THR CA C 63 59.718 59.991 -0.273 1
1 687 . 14 1 1 A 63 63 THR CB C 63 70.832 71.713 -0.881 1
1 689 . 14 1 1 A 63 63 THR N N 63 113.860 112.570 1.290 1
1 690 . 14 1 1 A 64 64 LEU H H 64 8.364 8.656 -0.292 1
1 691 . 14 1 1 A 64 64 LEU HA H 64 4.324 4.273 0.051 1
1 701 . 14 1 1 A 64 64 LEU C C 64 176.311 177.224 -0.913 1
1 702 . 14 1 1 A 64 64 LEU CA C 64 55.025 55.423 -0.398 1
1 703 . 14 1 1 A 64 64 LEU CB C 64 43.871 42.197 1.674 1
1 707 . 14 1 1 A 64 64 LEU N N 64 123.689 126.933 -3.244 1
1 708 . 14 1 1 A 65 65 ARG H H 65 8.192 8.999 -0.807 1
1 709 . 14 1 1 A 65 65 ARG C C 65 173.609 176.520 -2.911 1
1 710 . 14 1 1 A 65 65 ARG CA C 65 55.287 55.335 -0.048 1
1 711 . 14 1 1 A 65 65 ARG CB C 65 29.681 30.306 -0.625 1
1 712 . 14 1 1 A 65 65 ARG N N 65 126.639 121.970 4.669 1
1 713 . 14 1 1 A 66 66 PRO HA H 66 4.390 4.305 0.085 1
1 720 . 14 1 1 A 66 66 PRO C C 66 177.030 178.772 -1.742 1
1 721 . 14 1 1 A 66 66 PRO CA C 66 63.719 65.395 -1.676 1
1 722 . 14 1 1 A 66 66 PRO CB C 66 31.825 31.904 -0.079 1
1 725 . 14 1 1 A 66 66 PRO N N 66 126.639 136.956 -10.317 1
1 726 . 14 1 1 A 67 67 GLY H H 67 8.744 8.422 0.322 1
1 727 . 14 1 1 A 67 67 GLY HA2 H 67 4.232 3.831 0.401 1
1 728 . 14 1 1 A 67 67 GLY HA3 H 67 3.544 3.882 -0.338 1
1 729 . 14 1 1 A 67 67 GLY C C 67 174.319 174.575 -0.256 1
1 730 . 14 1 1 A 67 67 GLY CA C 67 44.818 47.076 -2.258 1
1 731 . 14 1 1 A 68 68 ILE H H 68 7.522 7.916 -0.394 1
1 732 . 14 1 1 A 68 68 ILE HA H 68 4.690 4.650 0.040 1
1 742 . 14 1 1 A 68 68 ILE C C 68 174.703 175.276 -0.573 1
1 743 . 14 1 1 A 68 68 ILE CA C 68 61.047 60.452 0.595 1
1 744 . 14 1 1 A 68 68 ILE CB C 68 38.090 39.545 -1.455 1
1 748 . 14 1 1 A 68 68 ILE N N 68 121.049 120.205 0.844 1
1 749 . 14 1 1 A 69 69 LEU H H 69 9.207 9.516 -0.309 1
1 750 . 14 1 1 A 69 69 LEU HA H 69 4.449 5.058 -0.609 1
1 760 . 14 1 1 A 69 69 LEU C C 69 174.991 175.908 -0.917 1
1 761 . 14 1 1 A 69 69 LEU CA C 69 54.106 53.646 0.460 1
1 762 . 14 1 1 A 69 69 LEU CB C 69 43.588 42.653 0.935 1
1 766 . 14 1 1 A 69 69 LEU N N 69 131.197 128.266 2.931 1
1 767 . 14 1 1 A 70 70 VAL H H 70 8.149 8.575 -0.426 1
1 768 . 14 1 1 A 70 70 VAL HA H 70 4.955 4.708 0.247 1
1 776 . 14 1 1 A 70 70 VAL C C 70 175.167 175.626 -0.459 1
1 777 . 14 1 1 A 70 70 VAL CA C 70 59.928 61.708 -1.780 1
1 778 . 14 1 1 A 70 70 VAL CB C 70 33.239 32.845 0.394 1
1 781 . 14 1 1 A 70 70 VAL N N 70 121.953 124.422 -2.469 1
1 782 . 14 1 1 A 71 71 LEU H H 71 8.881 8.048 0.833 1
1 783 . 14 1 1 A 71 71 LEU HA H 71 4.922 5.117 -0.195 1
1 793 . 14 1 1 A 71 71 LEU C C 71 176.487 176.017 0.470 1
1 794 . 14 1 1 A 71 71 LEU CA C 71 52.627 53.584 -0.957 1
1 795 . 14 1 1 A 71 71 LEU CB C 71 44.487 45.597 -1.110 1
1 799 . 14 1 1 A 71 71 LEU N N 71 126.071 126.128 -0.057 1
1 800 . 14 1 1 A 72 72 VAL H H 72 9.048 8.621 0.427 1
1 801 . 14 1 1 A 72 72 VAL HA H 72 4.351 4.721 -0.370 1
1 809 . 14 1 1 A 72 72 VAL C C 72 176.078 176.489 -0.411 1
1 810 . 14 1 1 A 72 72 VAL CA C 72 60.886 61.054 -0.168 1
1 811 . 14 1 1 A 72 72 VAL CB C 72 33.141 33.817 -0.676 1
1 814 . 14 1 1 A 72 72 VAL N N 72 120.969 123.710 -2.741 1
1 815 . 14 1 1 A 73 73 ASN H H 73 9.630 9.447 0.183 1
1 816 . 14 1 1 A 73 73 ASN HA H 73 4.335 4.355 -0.020 1
1 821 . 14 1 1 A 73 73 ASN C C 73 175.496 174.498 0.998 1
1 822 . 14 1 1 A 73 73 ASN CA C 73 54.736 54.620 0.116 1
1 823 . 14 1 1 A 73 73 ASN CB C 73 36.825 36.888 -0.063 1
1 824 . 14 1 1 A 73 73 ASN N N 73 129.082 127.524 1.558 1
1 825 . 14 1 1 A 74 74 SER H H 74 9.308 8.402 0.906 1
1 826 . 14 1 1 A 74 74 SER C C 74 172.584 173.454 -0.870 1
1 827 . 14 1 1 A 74 74 SER N N 74 106.084 105.628 0.456 1
1 828 . 14 1 1 A 75 75 CYS H H 75 7.845 7.758 0.087 1
1 829 . 14 1 1 A 75 75 CYS C C 75 176.045 173.633 2.412 1
1 830 . 14 1 1 A 75 75 CYS CA C 75 57.152 60.680 -3.528 1
1 831 . 14 1 1 A 75 75 CYS CB C 75 29.101 29.263 -0.162 1
1 832 . 14 1 1 A 75 75 CYS N N 75 120.460 117.294 3.166 1
1 833 . 14 1 1 A 76 76 ASP H H 76 8.766 7.680 1.086 1
1 834 . 14 1 1 A 76 76 ASP HA H 76 4.295 4.841 -0.546 1
1 837 . 14 1 1 A 76 76 ASP C C 76 177.713 175.369 2.344 1
1 838 . 14 1 1 A 76 76 ASP CA C 76 55.721 54.227 1.494 1
1 839 . 14 1 1 A 76 76 ASP CB C 76 41.513 44.708 -3.195 1
1 840 . 14 1 1 A 76 76 ASP N N 76 126.661 118.759 7.902 1
1 841 . 14 1 1 A 77 77 ALA H H 77 8.555 8.820 -0.265 1
1 842 . 14 1 1 A 77 77 ALA HA H 77 3.688 4.027 -0.339 1
1 846 . 14 1 1 A 77 77 ALA C C 77 180.149 178.929 1.220 1
1 847 . 14 1 1 A 77 77 ALA CA C 77 54.334 54.055 0.279 1
1 848 . 14 1 1 A 77 77 ALA CB C 77 18.453 18.987 -0.534 1
1 849 . 14 1 1 A 77 77 ALA N N 77 128.302 127.868 0.434 1
1 850 . 14 1 1 A 78 78 GLU H H 78 9.034 7.237 1.797 1
1 851 . 14 1 1 A 78 78 GLU HA H 78 3.763 4.186 -0.423 1
1 856 . 14 1 1 A 78 78 GLU C C 78 179.359 179.288 0.071 1
1 857 . 14 1 1 A 78 78 GLU CA C 78 59.569 59.151 0.418 1
1 858 . 14 1 1 A 78 78 GLU CB C 78 29.511 30.162 -0.651 1
1 860 . 14 1 1 A 78 78 GLU N N 78 117.499 118.485 -0.986 1
1 861 . 14 1 1 A 79 79 VAL H H 79 7.753 7.895 -0.142 1
1 862 . 14 1 1 A 79 79 VAL HA H 79 3.927 3.714 0.213 1
1 870 . 14 1 1 A 79 79 VAL C C 79 177.408 178.008 -0.600 1
1 871 . 14 1 1 A 79 79 VAL CA C 79 64.439 65.945 -1.506 1
1 872 . 14 1 1 A 79 79 VAL CB C 79 31.904 31.637 0.267 1
1 875 . 14 1 1 A 79 79 VAL N N 79 115.536 121.008 -5.472 1
1 876 . 14 1 1 A 80 80 VAL H H 80 7.123 7.687 -0.564 1
1 877 . 14 1 1 A 80 80 VAL HA H 80 4.443 4.074 0.369 1
1 885 . 14 1 1 A 80 80 VAL C C 80 175.020 177.009 -1.989 1
1 886 . 14 1 1 A 80 80 VAL CA C 80 60.286 64.564 -4.278 1
1 887 . 14 1 1 A 80 80 VAL CB C 80 30.948 32.057 -1.109 1
1 890 . 14 1 1 A 80 80 VAL N N 80 109.738 116.058 -6.320 1
1 891 . 14 1 1 A 81 81 GLY H H 81 7.210 7.366 -0.156 1
1 892 . 14 1 1 A 81 81 GLY HA2 H 81 4.511 4.070 0.441 1
1 893 . 14 1 1 A 81 81 GLY HA3 H 81 3.664 4.102 -0.438 1
1 894 . 14 1 1 A 81 81 GLY C C 81 175.262 175.763 -0.501 1
1 895 . 14 1 1 A 81 81 GLY CA C 81 44.964 45.967 -1.003 1
1 896 . 14 1 1 A 81 81 GLY N N 81 106.697 108.991 -2.294 1
1 897 . 14 1 1 A 82 82 GLY H H 82 8.673 8.667 0.006 1
1 898 . 14 1 1 A 82 82 GLY HA2 H 82 4.022 4.035 -0.013 1
1 899 . 14 1 1 A 82 82 GLY HA3 H 82 3.150 4.040 -0.890 1
1 900 . 14 1 1 A 82 82 GLY C C 82 174.547 174.027 0.520 1
1 901 . 14 1 1 A 82 82 GLY CA C 82 45.151 45.580 -0.429 1
1 902 . 14 1 1 A 82 82 GLY N N 82 111.931 108.461 3.470 1
1 903 . 14 1 1 A 83 83 MET H H 83 8.841 7.921 0.920 1
1 904 . 14 1 1 A 83 83 MET HA H 83 4.582 4.837 -0.255 1
1 909 . 14 1 1 A 83 83 MET C C 83 176.001 175.529 0.472 1
1 910 . 14 1 1 A 83 83 MET CA C 83 55.737 54.441 1.296 1
1 911 . 14 1 1 A 83 83 MET CB C 83 30.273 33.374 -3.101 1
1 913 . 14 1 1 A 83 83 MET N N 83 119.840 117.047 2.793 1
1 914 . 14 1 1 A 84 84 ASP H H 84 7.395 8.168 -0.773 1
1 915 . 14 1 1 A 84 84 ASP HA H 84 4.695 4.961 -0.266 1
1 918 . 14 1 1 A 84 84 ASP C C 84 176.694 175.224 1.470 1
1 919 . 14 1 1 A 84 84 ASP CA C 84 54.300 53.295 1.005 1
1 920 . 14 1 1 A 84 84 ASP CB C 84 41.551 41.634 -0.083 1
1 921 . 14 1 1 A 84 84 ASP N N 84 114.478 120.014 -5.536 1
1 922 . 14 1 1 A 85 85 TYR H H 85 7.930 7.935 -0.005 1
1 923 . 14 1 1 A 85 85 TYR HA H 85 4.148 4.662 -0.514 1
1 926 . 14 1 1 A 85 85 TYR C C 85 173.845 175.075 -1.230 1
1 927 . 14 1 1 A 85 85 TYR CA C 85 59.520 57.082 2.438 1
1 928 . 14 1 1 A 85 85 TYR CB C 85 38.105 38.799 -0.694 1
1 929 . 14 1 1 A 85 85 TYR N N 85 123.769 121.818 1.951 1
1 930 . 14 1 1 A 86 86 VAL H H 86 7.755 8.187 -0.432 1
1 931 . 14 1 1 A 86 86 VAL HA H 86 3.402 4.358 -0.956 1
1 939 . 14 1 1 A 86 86 VAL C C 86 173.896 175.625 -1.729 1
1 940 . 14 1 1 A 86 86 VAL CA C 86 62.779 61.662 1.117 1
1 941 . 14 1 1 A 86 86 VAL CB C 86 31.843 32.618 -0.775 1
1 944 . 14 1 1 A 86 86 VAL N N 86 130.130 124.427 5.703 1
1 945 . 14 1 1 A 87 87 LEU H H 87 7.069 8.478 -1.409 1
1 946 . 14 1 1 A 87 87 LEU HA H 87 3.833 5.179 -1.346 1
1 956 . 14 1 1 A 87 87 LEU C C 87 176.432 176.355 0.077 1
1 957 . 14 1 1 A 87 87 LEU CA C 87 55.977 52.988 2.989 1
1 958 . 14 1 1 A 87 87 LEU CB C 87 42.126 45.144 -3.018 1
1 962 . 14 1 1 A 87 87 LEU N N 87 121.577 124.161 -2.584 1
1 963 . 14 1 1 A 88 88 ASN H H 88 8.705 8.825 -0.120 1
1 964 . 14 1 1 A 88 88 ASN HA H 88 4.717 5.021 -0.304 1
1 967 . 14 1 1 A 88 88 ASN C C 88 173.156 174.402 -1.246 1
1 968 . 14 1 1 A 88 88 ASN CA C 88 51.471 52.197 -0.726 1
1 969 . 14 1 1 A 88 88 ASN CB C 88 41.622 39.675 1.947 1
1 970 . 14 1 1 A 88 88 ASN N N 88 120.561 119.565 0.996 1
1 971 . 14 1 1 A 89 89 ASP H H 89 8.482 8.325 0.157 1
1 972 . 14 1 1 A 89 89 ASP HA H 89 3.937 4.293 -0.356 1
1 975 . 14 1 1 A 89 89 ASP C C 89 178.751 175.303 3.448 1
1 976 . 14 1 1 A 89 89 ASP CA C 89 56.268 54.990 1.278 1
1 977 . 14 1 1 A 89 89 ASP CB C 89 40.380 40.050 0.330 1
1 978 . 14 1 1 A 89 89 ASP N N 89 122.084 120.452 1.632 1
1 979 . 14 1 1 A 90 90 GLY H H 90 9.334 8.367 0.967 1
1 980 . 14 1 1 A 90 90 GLY HA2 H 90 4.314 3.785 0.529 1
1 981 . 14 1 1 A 90 90 GLY HA3 H 90 3.619 3.872 -0.253 1
1 982 . 14 1 1 A 90 90 GLY C C 90 174.907 173.528 1.379 1
1 983 . 14 1 1 A 90 90 GLY CA C 90 45.076 45.155 -0.079 1
1 984 . 14 1 1 A 90 90 GLY N N 90 117.218 113.631 3.587 1
1 985 . 14 1 1 A 91 91 ASP H H 91 7.987 7.936 0.051 1
1 986 . 14 1 1 A 91 91 ASP HA H 91 4.745 5.060 -0.315 1
1 989 . 14 1 1 A 91 91 ASP C C 91 175.436 174.201 1.235 1
1 990 . 14 1 1 A 91 91 ASP CA C 91 55.954 52.579 3.375 1
1 991 . 14 1 1 A 91 91 ASP CB C 91 41.876 43.498 -1.622 1
1 992 . 14 1 1 A 91 91 ASP N N 91 122.336 120.570 1.766 1
1 993 . 14 1 1 A 92 92 THR H H 92 8.227 8.594 -0.367 1
1 994 . 14 1 1 A 92 92 THR HA H 92 5.093 4.866 0.227 1
1 999 . 14 1 1 A 92 92 THR C C 92 173.702 172.932 0.770 1
1 1000 . 14 1 1 A 92 92 THR CA C 92 61.477 61.538 -0.061 1
1 1001 . 14 1 1 A 92 92 THR CB C 92 70.032 71.881 -1.849 1
1 1003 . 14 1 1 A 92 92 THR N N 92 115.456 115.400 0.056 1
1 1004 . 14 1 1 A 93 93 VAL H H 93 9.039 8.697 0.342 1
1 1005 . 14 1 1 A 93 93 VAL HA H 93 4.731 4.971 -0.240 1
1 1013 . 14 1 1 A 93 93 VAL C C 93 173.391 172.782 0.609 1
1 1014 . 14 1 1 A 93 93 VAL CA C 93 59.984 59.772 0.212 1
1 1015 . 14 1 1 A 93 93 VAL CB C 93 33.978 35.300 -1.322 1
1 1018 . 14 1 1 A 93 93 VAL N N 93 129.109 125.070 4.039 1
1 1019 . 14 1 1 A 94 94 GLU H H 94 9.012 8.279 0.733 1
1 1020 . 14 1 1 A 94 94 GLU HA H 94 4.941 4.285 0.656 1
1 1025 . 14 1 1 A 94 94 GLU C C 94 173.669 174.990 -1.321 1
1 1026 . 14 1 1 A 94 94 GLU CA C 94 53.577 54.015 -0.438 1
1 1027 . 14 1 1 A 94 94 GLU CB C 94 32.853 33.760 -0.907 1
1 1029 . 14 1 1 A 94 94 GLU N N 94 126.881 126.849 0.032 1
1 1030 . 14 1 1 A 95 95 PHE H H 95 9.012 8.021 0.991 1
1 1031 . 14 1 1 A 95 95 PHE HA H 95 4.941 5.071 -0.130 1
1 1034 . 14 1 1 A 95 95 PHE C C 95 174.687 174.484 0.203 1
1 1035 . 14 1 1 A 95 95 PHE CA C 95 56.843 56.568 0.275 1
1 1036 . 14 1 1 A 95 95 PHE CB C 95 40.889 40.564 0.325 1
1 1037 . 14 1 1 A 95 95 PHE N N 95 122.718 118.590 4.128 1
1 1038 . 14 1 1 A 96 96 ILE H H 96 9.292 9.245 0.047 1
1 1039 . 14 1 1 A 96 96 ILE HA H 96 4.573 5.128 -0.555 1
1 1049 . 14 1 1 A 96 96 ILE C C 96 175.897 175.615 0.282 1
1 1050 . 14 1 1 A 96 96 ILE CA C 96 59.748 60.266 -0.518 1
1 1051 . 14 1 1 A 96 96 ILE CB C 96 40.938 39.675 1.263 1
1 1055 . 14 1 1 A 96 96 ILE N N 96 123.112 124.761 -1.649 1
1 1056 . 14 1 1 A 97 97 SER H H 97 8.245 8.841 -0.596 1
1 1057 . 14 1 1 A 97 97 SER HA H 97 4.800 4.644 0.156 1
1 1060 . 14 1 1 A 97 97 SER C C 97 175.130 174.006 1.124 1
1 1061 . 14 1 1 A 97 97 SER CA C 97 58.154 59.126 -0.972 1
1 1062 . 14 1 1 A 97 97 SER CB C 97 63.137 63.734 -0.597 1
1 1063 . 14 1 1 A 97 97 SER N N 97 121.343 122.323 -0.980 1
1 1064 . 14 1 1 A 98 98 THR H H 98 8.181 8.605 -0.424 1
1 1065 . 14 1 1 A 98 98 THR HA H 98 4.549 4.597 -0.048 1
1 1070 . 14 1 1 A 98 98 THR C C 98 174.729 173.984 0.745 1
1 1071 . 14 1 1 A 98 98 THR CA C 98 61.603 61.950 -0.347 1
1 1072 . 14 1 1 A 98 98 THR CB C 98 69.890 70.567 -0.677 1
1 1074 . 14 1 1 A 98 98 THR N N 98 116.451 116.126 0.325 1
1 1075 . 14 1 1 A 99 99 LEU H H 99 8.033 7.930 0.103 1
1 1076 . 14 1 1 A 99 99 LEU HA H 99 4.234 4.125 0.109 1
1 1086 . 14 1 1 A 99 99 LEU C C 99 177.349 175.413 1.936 1
1 1087 . 14 1 1 A 99 99 LEU CA C 99 55.517 54.906 0.611 1
1 1088 . 14 1 1 A 99 99 LEU CB C 99 41.996 41.942 0.054 1
1 1092 . 14 1 1 A 99 99 LEU N N 99 122.869 121.949 0.920 1
1 1093 . 14 1 1 A 100 100 HIS H H 100 8.558 8.324 0.234 1
1 1094 . 14 1 1 A 100 100 HIS HA H 100 4.460 4.828 -0.368 1
1 1097 . 14 1 1 A 100 100 HIS C C 100 175.718 174.696 1.022 1
1 1098 . 14 1 1 A 100 100 HIS CA C 100 56.096 54.195 1.901 1
1 1099 . 14 1 1 A 100 100 HIS CB C 100 29.709 27.915 1.794 1
1 1100 . 14 1 1 A 100 100 HIS N N 100 120.437 119.809 0.628 1
1 1101 . 14 1 1 A 101 101 GLY H H 101 8.477 8.033 0.444 1
1 1102 . 14 1 1 A 101 101 GLY HA2 H 101 3.888 3.965 -0.077 1
1 1103 . 14 1 1 A 101 101 GLY HA3 H 101 3.888 3.973 -0.085 1
1 1104 . 14 1 1 A 101 101 GLY C C 101 174.614 174.519 0.095 1
1 1105 . 14 1 1 A 101 101 GLY CA C 101 45.529 44.659 0.870 1
1 1106 . 14 1 1 A 101 101 GLY N N 101 110.340 110.957 -0.617 1
1 7 . 15 1 1 A 2 2 SER H H 2 8.206 8.656 -0.450 1
1 8 . 15 1 1 A 2 2 SER N N 2 126.498 119.911 6.587 1
1 9 . 15 1 1 A 3 3 ASN HA H 3 5.166 5.048 0.118 1
1 12 . 15 1 1 A 3 3 ASN C C 3 175.527 174.316 1.211 1
1 13 . 15 1 1 A 3 3 ASN CA C 3 51.466 52.102 -0.636 1
1 14 . 15 1 1 A 3 3 ASN CB C 3 39.931 41.601 -1.670 1
1 15 . 15 1 1 A 4 4 HIS H H 4 8.859 8.519 0.340 1
1 16 . 15 1 1 A 4 4 HIS HA H 4 4.165 4.153 0.012 1
1 19 . 15 1 1 A 4 4 HIS C C 4 175.897 174.253 1.644 1
1 20 . 15 1 1 A 4 4 HIS CA C 4 56.644 56.311 0.333 1
1 21 . 15 1 1 A 4 4 HIS CB C 4 30.122 27.747 2.375 1
1 22 . 15 1 1 A 4 4 HIS N N 4 120.656 116.648 4.008 1
1 23 . 15 1 1 A 5 5 ASN H H 5 8.263 8.217 0.046 1
1 24 . 15 1 1 A 5 5 ASN HA H 5 4.274 5.481 -1.207 1
1 27 . 15 1 1 A 5 5 ASN C C 5 177.939 174.253 3.686 1
1 28 . 15 1 1 A 5 5 ASN CA C 5 57.261 52.054 5.207 1
1 29 . 15 1 1 A 5 5 ASN CB C 5 38.232 41.812 -3.580 1
1 30 . 15 1 1 A 5 5 ASN N N 5 121.699 117.318 4.381 1
1 31 . 15 1 1 A 6 6 HIS H H 6 9.675 8.389 1.286 1
1 32 . 15 1 1 A 6 6 HIS HA H 6 5.261 5.092 0.169 1
1 35 . 15 1 1 A 6 6 HIS C C 6 171.876 171.653 0.223 1
1 36 . 15 1 1 A 6 6 HIS CA C 6 56.016 54.923 1.093 1
1 37 . 15 1 1 A 6 6 HIS CB C 6 31.324 31.579 -0.255 1
1 38 . 15 1 1 A 6 6 HIS N N 6 117.245 115.717 1.528 1
1 39 . 15 1 1 A 7 7 ILE H H 7 7.753 8.452 -0.699 1
1 40 . 15 1 1 A 7 7 ILE HA H 7 4.442 4.652 -0.210 1
1 50 . 15 1 1 A 7 7 ILE C C 7 174.518 175.091 -0.573 1
1 51 . 15 1 1 A 7 7 ILE CA C 7 57.922 59.901 -1.979 1
1 52 . 15 1 1 A 7 7 ILE CB C 7 39.790 40.382 -0.592 1
1 56 . 15 1 1 A 7 7 ILE N N 7 126.114 122.182 3.932 1
1 57 . 15 1 1 A 8 8 THR H H 8 8.238 9.044 -0.806 1
1 58 . 15 1 1 A 8 8 THR HA H 8 4.733 4.771 -0.038 1
1 63 . 15 1 1 A 8 8 THR C C 8 172.672 173.014 -0.342 1
1 64 . 15 1 1 A 8 8 THR CA C 8 62.203 62.178 0.025 1
1 65 . 15 1 1 A 8 8 THR CB C 8 70.202 68.993 1.209 1
1 67 . 15 1 1 A 8 8 THR N N 8 123.879 123.184 0.695 1
1 68 . 15 1 1 A 9 9 VAL H H 9 8.717 8.248 0.469 1
1 69 . 15 1 1 A 9 9 VAL HA H 9 5.165 4.665 0.500 1
1 77 . 15 1 1 A 9 9 VAL C C 9 173.545 173.979 -0.434 1
1 78 . 15 1 1 A 9 9 VAL CA C 9 59.279 59.856 -0.577 1
1 79 . 15 1 1 A 9 9 VAL CB C 9 33.495 34.219 -0.724 1
1 82 . 15 1 1 A 9 9 VAL N N 9 124.808 126.232 -1.424 1
1 83 . 15 1 1 A 10 10 GLN H H 10 8.863 8.263 0.600 1
1 84 . 15 1 1 A 10 10 GLN HA H 10 4.841 4.496 0.345 1
1 87 . 15 1 1 A 10 10 GLN C C 10 173.774 173.237 0.537 1
1 88 . 15 1 1 A 10 10 GLN CA C 10 53.092 53.453 -0.361 1
1 89 . 15 1 1 A 10 10 GLN CB C 10 32.226 32.551 -0.325 1
1 91 . 15 1 1 A 10 10 GLN N N 10 123.709 125.334 -1.625 1
1 92 . 15 1 1 A 11 11 PHE H H 11 8.252 7.989 0.263 1
1 93 . 15 1 1 A 11 11 PHE HA H 11 5.661 5.426 0.235 1
1 96 . 15 1 1 A 11 11 PHE C C 11 175.180 174.931 0.249 1
1 97 . 15 1 1 A 11 11 PHE CA C 11 55.799 56.775 -0.976 1
1 98 . 15 1 1 A 11 11 PHE CB C 11 43.197 42.751 0.446 1
1 99 . 15 1 1 A 11 11 PHE N N 11 119.002 117.366 1.636 1
1 100 . 15 1 1 A 12 12 ALA H H 12 8.989 8.573 0.416 1
1 101 . 15 1 1 A 12 12 ALA HA H 12 4.971 5.025 -0.054 1
1 105 . 15 1 1 A 12 12 ALA C C 12 179.413 178.111 1.302 1
1 106 . 15 1 1 A 12 12 ALA CA C 12 51.675 51.139 0.536 1
1 107 . 15 1 1 A 12 12 ALA CB C 12 23.716 23.077 0.639 1
1 108 . 15 1 1 A 12 12 ALA N N 12 123.388 123.855 -0.467 1
1 109 . 15 1 1 A 13 13 GLY H H 13 9.188 8.882 0.306 1
1 110 . 15 1 1 A 13 13 GLY HA2 H 13 4.477 3.865 0.612 1
1 111 . 15 1 1 A 13 13 GLY HA3 H 13 3.937 3.869 0.068 1
1 112 . 15 1 1 A 13 13 GLY C C 13 173.600 175.040 -1.440 1
1 113 . 15 1 1 A 13 13 GLY CA C 13 46.252 47.222 -0.970 1
1 114 . 15 1 1 A 13 13 GLY N N 13 110.134 110.017 0.117 1
1 115 . 15 1 1 A 14 14 GLY H H 14 9.510 8.490 1.020 1
1 116 . 15 1 1 A 14 14 GLY HA2 H 14 4.600 3.944 0.656 1
1 117 . 15 1 1 A 14 14 GLY HA3 H 14 3.453 4.023 -0.570 1
1 118 . 15 1 1 A 14 14 GLY C C 14 177.136 174.807 2.329 1
1 119 . 15 1 1 A 14 14 GLY CA C 14 44.792 45.061 -0.269 1
1 120 . 15 1 1 A 14 14 GLY N N 14 109.966 113.485 -3.519 1
1 121 . 15 1 1 A 15 15 CYS H H 15 7.748 7.815 -0.067 1
1 122 . 15 1 1 A 15 15 CYS HA H 15 3.883 4.432 -0.549 1
1 125 . 15 1 1 A 15 15 CYS C C 15 175.011 175.698 -0.687 1
1 126 . 15 1 1 A 15 15 CYS CA C 15 62.034 59.427 2.607 1
1 127 . 15 1 1 A 15 15 CYS N N 15 121.082 117.539 3.543 1
1 128 . 15 1 1 A 16 16 GLU H H 16 7.837 8.203 -0.366 1
1 129 . 15 1 1 A 16 16 GLU HA H 16 4.009 4.181 -0.172 1
1 134 . 15 1 1 A 16 16 GLU C C 16 178.419 178.579 -0.160 1
1 135 . 15 1 1 A 16 16 GLU CA C 16 58.599 59.387 -0.788 1
1 136 . 15 1 1 A 16 16 GLU CB C 16 27.745 29.286 -1.541 1
1 138 . 15 1 1 A 16 16 GLU N N 16 120.416 120.396 0.020 1
1 139 . 15 1 1 A 17 17 LEU H H 17 7.626 7.834 -0.208 1
1 140 . 15 1 1 A 17 17 LEU HA H 17 3.927 4.217 -0.290 1
1 150 . 15 1 1 A 17 17 LEU C C 17 178.349 177.319 1.030 1
1 151 . 15 1 1 A 17 17 LEU CA C 17 57.105 56.212 0.893 1
1 152 . 15 1 1 A 17 17 LEU CB C 17 40.474 41.506 -1.032 1
1 156 . 15 1 1 A 17 17 LEU N N 17 122.648 120.246 2.402 1
1 157 . 15 1 1 A 18 18 LEU H H 18 7.488 7.606 -0.118 1
1 158 . 15 1 1 A 18 18 LEU HA H 18 4.143 4.249 -0.106 1
1 168 . 15 1 1 A 18 18 LEU C C 18 175.859 176.402 -0.543 1
1 169 . 15 1 1 A 18 18 LEU CA C 18 55.729 54.722 1.007 1
1 170 . 15 1 1 A 18 18 LEU CB C 18 40.532 41.452 -0.920 1
1 174 . 15 1 1 A 18 18 LEU N N 18 117.565 118.088 -0.523 1
1 175 . 15 1 1 A 19 19 PHE H H 19 7.164 7.971 -0.807 1
1 176 . 15 1 1 A 19 19 PHE HA H 19 4.395 4.959 -0.564 1
1 179 . 15 1 1 A 19 19 PHE C C 19 176.362 175.394 0.968 1
1 180 . 15 1 1 A 19 19 PHE CA C 19 56.373 59.003 -2.630 1
1 181 . 15 1 1 A 19 19 PHE CB C 19 39.143 41.178 -2.035 1
1 182 . 15 1 1 A 19 19 PHE N N 19 117.899 120.177 -2.278 1
1 183 . 15 1 1 A 20 20 ALA H H 20 8.780 7.577 1.203 1
1 184 . 15 1 1 A 20 20 ALA HA H 20 4.087 4.559 -0.472 1
1 188 . 15 1 1 A 20 20 ALA C C 20 176.512 177.550 -1.038 1
1 189 . 15 1 1 A 20 20 ALA CA C 20 53.279 51.535 1.744 1
1 190 . 15 1 1 A 20 20 ALA CB C 20 17.047 19.417 -2.370 1
1 191 . 15 1 1 A 20 20 ALA N N 20 123.417 119.710 3.707 1
1 192 . 15 1 1 A 21 21 LYS H H 21 7.825 8.074 -0.249 1
1 193 . 15 1 1 A 21 21 LYS HA H 21 3.181 3.869 -0.688 1
1 202 . 15 1 1 A 21 21 LYS C C 21 175.295 175.159 0.136 1
1 203 . 15 1 1 A 21 21 LYS CA C 21 58.666 57.488 1.178 1
1 204 . 15 1 1 A 21 21 LYS CB C 21 29.784 29.548 0.236 1
1 208 . 15 1 1 A 21 21 LYS N N 21 108.448 112.394 -3.946 1
1 209 . 15 1 1 A 22 22 GLN H H 22 7.611 8.304 -0.693 1
1 210 . 15 1 1 A 22 22 GLN HA H 22 4.429 4.615 -0.186 1
1 215 . 15 1 1 A 22 22 GLN C C 22 174.967 176.592 -1.625 1
1 216 . 15 1 1 A 22 22 GLN CA C 22 56.105 55.119 0.986 1
1 217 . 15 1 1 A 22 22 GLN CB C 22 29.548 30.136 -0.588 1
1 219 . 15 1 1 A 22 22 GLN N N 22 120.482 118.107 2.375 1
1 220 . 15 1 1 A 23 23 THR H H 23 8.201 8.771 -0.570 1
1 221 . 15 1 1 A 23 23 THR HA H 23 4.491 4.397 0.094 1
1 226 . 15 1 1 A 23 23 THR C C 23 175.012 174.888 0.124 1
1 227 . 15 1 1 A 23 23 THR CA C 23 62.436 63.688 -1.252 1
1 228 . 15 1 1 A 23 23 THR CB C 23 69.501 68.603 0.898 1
1 229 . 15 1 1 A 23 23 THR N N 23 110.354 115.166 -4.812 1
1 230 . 15 1 1 A 24 24 SER H H 24 7.751 7.855 -0.104 1
1 231 . 15 1 1 A 24 24 SER HA H 24 5.136 4.843 0.293 1
1 234 . 15 1 1 A 24 24 SER C C 24 172.623 172.840 -0.217 1
1 235 . 15 1 1 A 24 24 SER CA C 24 57.192 56.847 0.345 1
1 236 . 15 1 1 A 24 24 SER CB C 24 65.459 66.545 -1.086 1
1 237 . 15 1 1 A 24 24 SER N N 24 114.575 113.816 0.759 1
1 238 . 15 1 1 A 25 25 LEU H H 25 9.272 8.609 0.663 1
1 239 . 15 1 1 A 25 25 LEU HA H 25 4.531 4.921 -0.390 1
1 249 . 15 1 1 A 25 25 LEU C C 25 174.436 175.647 -1.211 1
1 250 . 15 1 1 A 25 25 LEU CA C 25 53.929 53.662 0.267 1
1 251 . 15 1 1 A 25 25 LEU CB C 25 45.561 46.724 -1.163 1
1 255 . 15 1 1 A 25 25 LEU N N 25 124.288 121.448 2.840 1
1 256 . 15 1 1 A 26 26 GLN H H 26 8.573 8.565 0.008 1
1 257 . 15 1 1 A 26 26 GLN HA H 26 4.607 5.573 -0.966 1
1 262 . 15 1 1 A 26 26 GLN C C 26 173.250 174.545 -1.295 1
1 263 . 15 1 1 A 26 26 GLN CA C 26 54.207 54.284 -0.077 1
1 264 . 15 1 1 A 26 26 GLN CB C 26 27.813 31.899 -4.086 1
1 266 . 15 1 1 A 26 26 GLN N N 26 122.971 119.836 3.135 1
1 267 . 15 1 1 A 27 27 LEU H H 27 8.753 9.035 -0.282 1
1 268 . 15 1 1 A 27 27 LEU HA H 27 4.414 5.111 -0.697 1
1 272 . 15 1 1 A 27 27 LEU C C 27 175.313 175.613 -0.300 1
1 273 . 15 1 1 A 27 27 LEU CA C 27 53.132 53.318 -0.186 1
1 274 . 15 1 1 A 27 27 LEU CB C 27 40.489 44.967 -4.478 1
1 278 . 15 1 1 A 27 27 LEU N N 27 126.504 125.454 1.050 1
1 279 . 15 1 1 A 28 28 ASP H H 28 8.568 8.978 -0.410 1
1 280 . 15 1 1 A 28 28 ASP HA H 28 4.414 5.471 -1.057 1
1 283 . 15 1 1 A 28 28 ASP C C 28 176.147 175.070 1.077 1
1 284 . 15 1 1 A 28 28 ASP CA C 28 53.407 52.635 0.772 1
1 285 . 15 1 1 A 28 28 ASP CB C 28 40.535 43.561 -3.026 1
1 286 . 15 1 1 A 28 28 ASP N N 28 112.805 121.919 -9.114 1
1 287 . 15 1 1 A 29 29 GLY H H 29 7.770 8.865 -1.095 1
1 288 . 15 1 1 A 29 29 GLY HA2 H 29 3.942 4.337 -0.395 1
1 289 . 15 1 1 A 29 29 GLY HA3 H 29 3.806 4.340 -0.534 1
1 290 . 15 1 1 A 29 29 GLY C C 29 174.455 174.809 -0.354 1
1 291 . 15 1 1 A 29 29 GLY CA C 29 47.297 44.180 3.117 1
1 292 . 15 1 1 A 29 29 GLY N N 29 129.863 111.383 18.480 1
1 293 . 15 1 1 A 30 30 VAL H H 30 7.792 8.487 -0.695 1
1 294 . 15 1 1 A 30 30 VAL HA H 30 4.391 3.837 0.554 1
1 302 . 15 1 1 A 30 30 VAL C C 30 174.315 176.406 -2.091 1
1 303 . 15 1 1 A 30 30 VAL CA C 30 62.180 65.853 -3.673 1
1 304 . 15 1 1 A 30 30 VAL CB C 30 35.931 32.223 3.708 1
1 307 . 15 1 1 A 30 30 VAL N N 30 112.711 122.234 -9.523 1
1 308 . 15 1 1 A 31 31 VAL H H 31 8.748 7.779 0.969 1
1 309 . 15 1 1 A 31 31 VAL C C 31 172.882 174.341 -1.459 1
1 310 . 15 1 1 A 31 31 VAL CA C 31 62.284 59.130 3.154 1
1 311 . 15 1 1 A 31 31 VAL CB C 31 33.804 31.746 2.058 1
1 312 . 15 1 1 A 31 31 VAL N N 31 123.316 121.066 2.250 1
1 313 . 15 1 1 A 32 32 PRO HA H 32 5.038 4.408 0.630 1
1 320 . 15 1 1 A 32 32 PRO C C 32 179.633 178.008 1.625 1
1 321 . 15 1 1 A 32 32 PRO CA C 32 63.073 64.412 -1.339 1
1 322 . 15 1 1 A 32 32 PRO CB C 32 32.421 31.887 0.534 1
1 325 . 15 1 1 A 33 33 THR H H 33 8.739 7.768 0.971 1
1 326 . 15 1 1 A 33 33 THR HA H 33 3.896 3.920 -0.024 1
1 331 . 15 1 1 A 33 33 THR C C 33 174.735 176.017 -1.282 1
1 332 . 15 1 1 A 33 33 THR CA C 33 64.329 66.100 -1.771 1
1 333 . 15 1 1 A 33 33 THR CB C 33 67.929 68.290 -0.361 1
1 335 . 15 1 1 A 33 33 THR N N 33 120.858 111.395 9.463 1
1 336 . 15 1 1 A 34 34 GLY H H 34 8.303 8.095 0.208 1
1 337 . 15 1 1 A 34 34 GLY HA2 H 34 4.359 3.868 0.491 1
1 338 . 15 1 1 A 34 34 GLY HA3 H 34 3.451 3.869 -0.418 1
1 339 . 15 1 1 A 34 34 GLY C C 34 174.037 173.192 0.845 1
1 340 . 15 1 1 A 34 34 GLY CA C 34 45.067 46.097 -1.030 1
1 341 . 15 1 1 A 34 34 GLY N N 34 114.645 108.447 6.198 1
1 342 . 15 1 1 A 35 35 THR H H 35 7.405 6.999 0.406 1
1 343 . 15 1 1 A 35 35 THR HA H 35 4.073 4.953 -0.880 1
1 348 . 15 1 1 A 35 35 THR C C 35 174.540 173.932 0.608 1
1 349 . 15 1 1 A 35 35 THR CA C 35 65.137 61.227 3.910 1
1 350 . 15 1 1 A 35 35 THR CB C 35 69.484 71.942 -2.458 1
1 352 . 15 1 1 A 35 35 THR N N 35 117.340 113.683 3.657 1
1 353 . 15 1 1 A 36 36 ASN H H 36 8.836 8.424 0.412 1
1 354 . 15 1 1 A 36 36 ASN HA H 36 5.686 5.254 0.432 1
1 357 . 15 1 1 A 36 36 ASN C C 36 176.512 176.012 0.500 1
1 358 . 15 1 1 A 36 36 ASN CA C 36 50.439 50.748 -0.309 1
1 359 . 15 1 1 A 36 36 ASN CB C 36 40.274 40.187 0.087 1
1 360 . 15 1 1 A 36 36 ASN N N 36 127.379 123.728 3.651 1
1 361 . 15 1 1 A 37 37 LEU H H 37 8.045 8.521 -0.476 1
1 362 . 15 1 1 A 37 37 LEU HA H 37 4.142 4.095 0.047 1
1 372 . 15 1 1 A 37 37 LEU C C 37 178.931 178.545 0.386 1
1 373 . 15 1 1 A 37 37 LEU CA C 37 59.274 58.295 0.979 1
1 374 . 15 1 1 A 37 37 LEU CB C 37 42.159 41.502 0.657 1
1 378 . 15 1 1 A 37 37 LEU N N 37 119.164 120.126 -0.962 1
1 379 . 15 1 1 A 38 38 ASN H H 38 7.959 8.634 -0.675 1
1 380 . 15 1 1 A 38 38 ASN HA H 38 4.502 4.510 -0.008 1
1 383 . 15 1 1 A 38 38 ASN C C 38 178.691 179.184 -0.493 1
1 384 . 15 1 1 A 38 38 ASN CA C 38 57.080 56.073 1.007 1
1 385 . 15 1 1 A 38 38 ASN CB C 38 38.367 37.829 0.538 1
1 386 . 15 1 1 A 38 38 ASN N N 38 118.522 116.285 2.237 1
1 387 . 15 1 1 A 39 39 GLY H H 39 8.828 8.208 0.620 1
1 388 . 15 1 1 A 39 39 GLY HA2 H 39 4.088 3.691 0.397 1
1 389 . 15 1 1 A 39 39 GLY HA3 H 39 3.911 3.692 0.219 1
1 390 . 15 1 1 A 39 39 GLY C C 39 177.320 175.608 1.712 1
1 391 . 15 1 1 A 39 39 GLY CA C 39 46.879 47.162 -0.283 1
1 392 . 15 1 1 A 39 39 GLY N N 39 109.615 108.898 0.717 1
1 393 . 15 1 1 A 40 40 LEU H H 40 8.829 7.886 0.943 1
1 394 . 15 1 1 A 40 40 LEU HA H 40 4.504 4.079 0.425 1
1 404 . 15 1 1 A 40 40 LEU C C 40 177.788 178.925 -1.137 1
1 405 . 15 1 1 A 40 40 LEU CA C 40 57.770 57.919 -0.149 1
1 406 . 15 1 1 A 40 40 LEU CB C 40 41.713 42.056 -0.343 1
1 410 . 15 1 1 A 40 40 LEU N N 40 125.884 123.228 2.656 1
1 411 . 15 1 1 A 41 41 VAL H H 41 8.333 8.293 0.040 1
1 412 . 15 1 1 A 41 41 VAL HA H 41 3.328 3.907 -0.579 1
1 420 . 15 1 1 A 41 41 VAL C C 41 177.556 177.953 -0.397 1
1 421 . 15 1 1 A 41 41 VAL CA C 41 67.977 65.531 2.446 1
1 422 . 15 1 1 A 41 41 VAL CB C 41 31.080 31.030 0.050 1
1 425 . 15 1 1 A 41 41 VAL N N 41 120.213 114.940 5.273 1
1 426 . 15 1 1 A 42 42 GLN H H 42 7.672 7.992 -0.320 1
1 427 . 15 1 1 A 42 42 GLN HA H 42 3.866 4.152 -0.286 1
1 432 . 15 1 1 A 42 42 GLN C C 42 177.980 177.910 0.070 1
1 433 . 15 1 1 A 42 42 GLN CA C 42 58.694 58.761 -0.067 1
1 434 . 15 1 1 A 42 42 GLN CB C 42 27.809 28.995 -1.186 1
1 436 . 15 1 1 A 42 42 GLN N N 42 116.386 122.011 -5.625 1
1 437 . 15 1 1 A 43 43 LEU H H 43 8.080 7.607 0.473 1
1 438 . 15 1 1 A 43 43 LEU HA H 43 4.225 4.186 0.039 1
1 448 . 15 1 1 A 43 43 LEU C C 43 179.999 178.536 1.463 1
1 449 . 15 1 1 A 43 43 LEU CA C 43 58.275 57.184 1.091 1
1 450 . 15 1 1 A 43 43 LEU CB C 43 43.046 41.868 1.178 1
1 454 . 15 1 1 A 43 43 LEU N N 43 122.204 120.622 1.582 1
1 455 . 15 1 1 A 44 44 LEU H H 44 8.810 8.013 0.797 1
1 456 . 15 1 1 A 44 44 LEU HA H 44 4.384 4.579 -0.195 1
1 466 . 15 1 1 A 44 44 LEU C C 44 179.311 178.887 0.424 1
1 467 . 15 1 1 A 44 44 LEU CA C 44 58.397 57.376 1.021 1
1 468 . 15 1 1 A 44 44 LEU CB C 44 41.553 42.826 -1.273 1
1 472 . 15 1 1 A 44 44 LEU N N 44 119.371 118.007 1.364 1
1 473 . 15 1 1 A 45 45 LYS H H 45 8.652 8.526 0.126 1
1 474 . 15 1 1 A 45 45 LYS HA H 45 3.678 4.254 -0.576 1
1 483 . 15 1 1 A 45 45 LYS C C 45 177.005 178.954 -1.949 1
1 484 . 15 1 1 A 45 45 LYS CA C 45 60.016 58.984 1.032 1
1 485 . 15 1 1 A 45 45 LYS CB C 45 32.411 32.572 -0.161 1
1 489 . 15 1 1 A 45 45 LYS N N 45 120.434 119.987 0.447 1
1 490 . 15 1 1 A 46 46 THR H H 46 8.180 8.290 -0.110 1
1 491 . 15 1 1 A 46 46 THR HA H 46 4.027 4.041 -0.014 1
1 496 . 15 1 1 A 46 46 THR C C 46 176.217 175.668 0.549 1
1 497 . 15 1 1 A 46 46 THR CA C 46 65.173 66.026 -0.853 1
1 498 . 15 1 1 A 46 46 THR CB C 46 69.680 68.561 1.119 1
1 500 . 15 1 1 A 46 46 THR N N 46 109.149 115.890 -6.741 1
1 501 . 15 1 1 A 47 47 ASN H H 47 8.170 7.892 0.278 1
1 502 . 15 1 1 A 47 47 ASN HA H 47 4.785 4.715 0.070 1
1 505 . 15 1 1 A 47 47 ASN C C 47 175.267 175.318 -0.051 1
1 506 . 15 1 1 A 47 47 ASN CA C 47 54.213 54.600 -0.387 1
1 507 . 15 1 1 A 47 47 ASN CB C 47 40.712 40.169 0.543 1
1 508 . 15 1 1 A 47 47 ASN N N 47 116.045 117.649 -1.604 1
1 509 . 15 1 1 A 48 48 TYR H H 48 8.094 8.107 -0.013 1
1 510 . 15 1 1 A 48 48 TYR HA H 48 4.695 4.815 -0.120 1
1 513 . 15 1 1 A 48 48 TYR C C 48 175.011 176.273 -1.262 1
1 514 . 15 1 1 A 48 48 TYR CA C 48 60.273 56.027 4.246 1
1 515 . 15 1 1 A 48 48 TYR CB C 48 41.189 37.909 3.280 1
1 516 . 15 1 1 A 48 48 TYR N N 48 115.849 116.812 -0.963 1
1 517 . 15 1 1 A 49 49 VAL H H 49 7.769 7.644 0.125 1
1 518 . 15 1 1 A 49 49 VAL HA H 49 3.715 3.890 -0.175 1
1 526 . 15 1 1 A 49 49 VAL C C 49 176.157 175.596 0.561 1
1 527 . 15 1 1 A 49 49 VAL CA C 49 63.454 64.315 -0.861 1
1 528 . 15 1 1 A 49 49 VAL CB C 49 31.695 32.513 -0.818 1
1 531 . 15 1 1 A 49 49 VAL N N 49 120.510 121.617 -1.107 1
1 532 . 15 1 1 A 50 50 LYS H H 50 8.334 7.868 0.466 1
1 533 . 15 1 1 A 50 50 LYS HA H 50 4.242 3.832 0.410 1
1 542 . 15 1 1 A 50 50 LYS C C 50 176.562 175.213 1.349 1
1 543 . 15 1 1 A 50 50 LYS CA C 50 55.979 57.654 -1.675 1
1 544 . 15 1 1 A 50 50 LYS CB C 50 32.822 29.910 2.912 1
1 548 . 15 1 1 A 50 50 LYS N N 50 125.933 120.274 5.659 1
1 549 . 15 1 1 A 51 51 GLU H H 51 7.598 7.723 -0.125 1
1 550 . 15 1 1 A 51 51 GLU HA H 51 4.328 4.583 -0.255 1
1 553 . 15 1 1 A 51 51 GLU C C 51 172.975 174.870 -1.895 1
1 554 . 15 1 1 A 51 51 GLU CA C 51 55.074 55.310 -0.236 1
1 555 . 15 1 1 A 51 51 GLU CB C 51 32.633 32.682 -0.049 1
1 557 . 15 1 1 A 51 51 GLU N N 51 117.804 117.929 -0.125 1
1 558 . 15 1 1 A 52 52 ARG H H 52 8.383 8.465 -0.082 1
1 559 . 15 1 1 A 52 52 ARG CA C 52 53.279 54.166 -0.887 1
1 560 . 15 1 1 A 52 52 ARG CB C 52 26.615 30.479 -3.864 1
1 561 . 15 1 1 A 52 52 ARG N N 52 111.793 122.527 -10.734 1
1 562 . 15 1 1 A 53 53 PRO HA H 53 4.029 4.282 -0.253 1
1 569 . 15 1 1 A 53 53 PRO C C 53 177.018 177.547 -0.529 1
1 570 . 15 1 1 A 53 53 PRO CA C 53 65.474 64.857 0.617 1
1 571 . 15 1 1 A 53 53 PRO CB C 53 30.916 31.966 -1.050 1
1 574 . 15 1 1 A 53 53 PRO N N 53 111.793 140.406 -28.613 1
1 575 . 15 1 1 A 54 54 ASP H H 54 8.462 8.514 -0.052 1
1 576 . 15 1 1 A 54 54 ASP HA H 54 4.345 4.598 -0.253 1
1 579 . 15 1 1 A 54 54 ASP C C 54 176.493 177.503 -1.010 1
1 580 . 15 1 1 A 54 54 ASP CA C 54 54.982 54.438 0.544 1
1 581 . 15 1 1 A 54 54 ASP CB C 54 39.451 41.224 -1.773 1
1 582 . 15 1 1 A 54 54 ASP N N 54 113.848 116.890 -3.042 1
1 583 . 15 1 1 A 55 55 LEU H H 55 7.766 7.926 -0.160 1
1 584 . 15 1 1 A 55 55 LEU HA H 55 4.235 4.121 0.114 1
1 594 . 15 1 1 A 55 55 LEU C C 55 175.873 178.508 -2.635 1
1 595 . 15 1 1 A 55 55 LEU CA C 55 55.305 57.188 -1.883 1
1 596 . 15 1 1 A 55 55 LEU CB C 55 41.271 42.019 -0.748 1
1 600 . 15 1 1 A 55 55 LEU N N 55 117.721 117.339 0.382 1
1 601 . 15 1 1 A 56 56 LEU H H 56 7.630 7.690 -0.060 1
1 602 . 15 1 1 A 56 56 LEU HA H 56 4.552 4.324 0.228 1
1 612 . 15 1 1 A 56 56 LEU C C 56 175.341 177.009 -1.668 1
1 613 . 15 1 1 A 56 56 LEU CA C 56 55.516 56.539 -1.023 1
1 614 . 15 1 1 A 56 56 LEU CB C 56 44.910 42.738 2.172 1
1 618 . 15 1 1 A 56 56 LEU N N 56 118.796 116.370 2.426 1
1 619 . 15 1 1 A 57 57 VAL H H 57 7.206 6.725 0.481 1
1 620 . 15 1 1 A 57 57 VAL HA H 57 5.048 4.304 0.744 1
1 628 . 15 1 1 A 57 57 VAL C C 57 175.020 175.932 -0.912 1
1 629 . 15 1 1 A 57 57 VAL CA C 57 58.550 62.047 -3.497 1
1 630 . 15 1 1 A 57 57 VAL CB C 57 35.049 32.514 2.535 1
1 633 . 15 1 1 A 57 57 VAL N N 57 106.872 120.173 -13.301 1
1 634 . 15 1 1 A 58 58 ASP H H 58 8.447 9.334 -0.887 1
1 635 . 15 1 1 A 58 58 ASP HA H 58 4.459 4.313 0.146 1
1 638 . 15 1 1 A 58 58 ASP C C 58 177.406 176.852 0.554 1
1 639 . 15 1 1 A 58 58 ASP CA C 58 53.130 57.059 -3.929 1
1 640 . 15 1 1 A 58 58 ASP CB C 58 40.985 41.330 -0.345 1
1 641 . 15 1 1 A 58 58 ASP N N 58 118.741 123.956 -5.215 1
1 642 . 15 1 1 A 59 59 GLN H H 59 8.883 7.846 1.037 1
1 643 . 15 1 1 A 59 59 GLN HA H 59 4.031 4.594 -0.563 1
1 648 . 15 1 1 A 59 59 GLN C C 59 177.499 176.383 1.116 1
1 649 . 15 1 1 A 59 59 GLN CA C 59 59.120 57.207 1.913 1
1 650 . 15 1 1 A 59 59 GLN CB C 59 28.389 31.313 -2.924 1
1 652 . 15 1 1 A 59 59 GLN N N 59 119.603 116.811 2.792 1
1 653 . 15 1 1 A 60 60 THR H H 60 8.060 7.922 0.138 1
1 654 . 15 1 1 A 60 60 THR HA H 60 4.296 4.453 -0.157 1
1 659 . 15 1 1 A 60 60 THR C C 60 176.363 174.635 1.728 1
1 660 . 15 1 1 A 60 60 THR CA C 60 63.358 62.193 1.165 1
1 661 . 15 1 1 A 60 60 THR CB C 60 70.577 68.921 1.656 1
1 663 . 15 1 1 A 60 60 THR N N 60 109.323 113.168 -3.845 1
1 664 . 15 1 1 A 61 61 GLY H H 61 8.001 7.932 0.069 1
1 665 . 15 1 1 A 61 61 GLY HA2 H 61 4.173 3.877 0.296 1
1 666 . 15 1 1 A 61 61 GLY HA3 H 61 3.610 3.882 -0.272 1
1 667 . 15 1 1 A 61 61 GLY C C 61 174.049 174.455 -0.406 1
1 668 . 15 1 1 A 61 61 GLY CA C 61 45.301 46.428 -1.127 1
1 669 . 15 1 1 A 61 61 GLY N N 61 109.323 110.060 -0.737 1
1 670 . 15 1 1 A 62 62 GLN H H 62 8.091 7.859 0.232 1
1 671 . 15 1 1 A 62 62 GLN HA H 62 4.172 4.501 -0.329 1
1 674 . 15 1 1 A 62 62 GLN C C 62 175.201 174.944 0.257 1
1 675 . 15 1 1 A 62 62 GLN CA C 62 56.474 56.889 -0.415 1
1 676 . 15 1 1 A 62 62 GLN CB C 62 30.618 30.667 -0.049 1
1 678 . 15 1 1 A 62 62 GLN N N 62 117.247 120.305 -3.058 1
1 679 . 15 1 1 A 63 63 THR H H 63 7.740 7.763 -0.023 1
1 680 . 15 1 1 A 63 63 THR HA H 63 4.624 4.792 -0.168 1
1 685 . 15 1 1 A 63 63 THR C C 63 172.622 172.310 0.312 1
1 686 . 15 1 1 A 63 63 THR CA C 63 59.718 59.410 0.308 1
1 687 . 15 1 1 A 63 63 THR CB C 63 70.832 71.385 -0.553 1
1 689 . 15 1 1 A 63 63 THR N N 63 113.860 112.064 1.796 1
1 690 . 15 1 1 A 64 64 LEU H H 64 8.364 8.859 -0.495 1
1 691 . 15 1 1 A 64 64 LEU HA H 64 4.324 5.046 -0.722 1
1 701 . 15 1 1 A 64 64 LEU C C 64 176.311 176.653 -0.342 1
1 702 . 15 1 1 A 64 64 LEU CA C 64 55.025 53.106 1.919 1
1 703 . 15 1 1 A 64 64 LEU CB C 64 43.871 43.964 -0.093 1
1 707 . 15 1 1 A 64 64 LEU N N 64 123.689 123.439 0.250 1
1 708 . 15 1 1 A 65 65 ARG H H 65 8.192 9.262 -1.070 1
1 709 . 15 1 1 A 65 65 ARG C C 65 173.609 176.700 -3.091 1
1 710 . 15 1 1 A 65 65 ARG CA C 65 55.287 54.999 0.288 1
1 711 . 15 1 1 A 65 65 ARG CB C 65 29.681 30.460 -0.779 1
1 712 . 15 1 1 A 65 65 ARG N N 65 126.639 121.935 4.704 1
1 713 . 15 1 1 A 66 66 PRO HA H 66 4.390 4.253 0.137 1
1 720 . 15 1 1 A 66 66 PRO C C 66 177.030 178.687 -1.657 1
1 721 . 15 1 1 A 66 66 PRO CA C 66 63.719 65.385 -1.666 1
1 722 . 15 1 1 A 66 66 PRO CB C 66 31.825 31.826 -0.001 1
1 725 . 15 1 1 A 66 66 PRO N N 66 126.639 136.587 -9.948 1
1 726 . 15 1 1 A 67 67 GLY H H 67 8.744 8.417 0.327 1
1 727 . 15 1 1 A 67 67 GLY HA2 H 67 4.232 3.929 0.303 1
1 728 . 15 1 1 A 67 67 GLY HA3 H 67 3.544 3.941 -0.397 1
1 729 . 15 1 1 A 67 67 GLY C C 67 174.319 174.572 -0.253 1
1 730 . 15 1 1 A 67 67 GLY CA C 67 44.818 47.079 -2.261 1
1 731 . 15 1 1 A 68 68 ILE H H 68 7.522 7.904 -0.382 1
1 732 . 15 1 1 A 68 68 ILE HA H 68 4.690 4.792 -0.102 1
1 742 . 15 1 1 A 68 68 ILE C C 68 174.703 175.250 -0.547 1
1 743 . 15 1 1 A 68 68 ILE CA C 68 61.047 60.337 0.710 1
1 744 . 15 1 1 A 68 68 ILE CB C 68 38.090 39.210 -1.120 1
1 748 . 15 1 1 A 68 68 ILE N N 68 121.049 120.453 0.596 1
1 749 . 15 1 1 A 69 69 LEU H H 69 9.207 9.576 -0.369 1
1 750 . 15 1 1 A 69 69 LEU HA H 69 4.449 4.994 -0.545 1
1 760 . 15 1 1 A 69 69 LEU C C 69 174.991 176.103 -1.112 1
1 761 . 15 1 1 A 69 69 LEU CA C 69 54.106 53.592 0.514 1
1 762 . 15 1 1 A 69 69 LEU CB C 69 43.588 42.031 1.557 1
1 766 . 15 1 1 A 69 69 LEU N N 69 131.197 128.667 2.530 1
1 767 . 15 1 1 A 70 70 VAL H H 70 8.149 8.619 -0.470 1
1 768 . 15 1 1 A 70 70 VAL HA H 70 4.955 4.874 0.081 1
1 776 . 15 1 1 A 70 70 VAL C C 70 175.167 175.561 -0.394 1
1 777 . 15 1 1 A 70 70 VAL CA C 70 59.928 61.764 -1.836 1
1 778 . 15 1 1 A 70 70 VAL CB C 70 33.239 32.930 0.309 1
1 781 . 15 1 1 A 70 70 VAL N N 70 121.953 123.511 -1.558 1
1 782 . 15 1 1 A 71 71 LEU H H 71 8.881 8.269 0.612 1
1 783 . 15 1 1 A 71 71 LEU HA H 71 4.922 5.393 -0.471 1
1 793 . 15 1 1 A 71 71 LEU C C 71 176.487 175.692 0.795 1
1 794 . 15 1 1 A 71 71 LEU CA C 71 52.627 53.428 -0.801 1
1 795 . 15 1 1 A 71 71 LEU CB C 71 44.487 46.030 -1.543 1
1 799 . 15 1 1 A 71 71 LEU N N 71 126.071 126.069 0.002 1
1 800 . 15 1 1 A 72 72 VAL H H 72 9.048 9.160 -0.112 1
1 801 . 15 1 1 A 72 72 VAL HA H 72 4.351 4.774 -0.423 1
1 809 . 15 1 1 A 72 72 VAL C C 72 176.078 175.879 0.199 1
1 810 . 15 1 1 A 72 72 VAL CA C 72 60.886 61.031 -0.145 1
1 811 . 15 1 1 A 72 72 VAL CB C 72 33.141 33.161 -0.020 1
1 814 . 15 1 1 A 72 72 VAL N N 72 120.969 124.398 -3.429 1
1 815 . 15 1 1 A 73 73 ASN H H 73 9.630 9.410 0.220 1
1 816 . 15 1 1 A 73 73 ASN HA H 73 4.335 4.354 -0.019 1
1 821 . 15 1 1 A 73 73 ASN C C 73 175.496 174.819 0.677 1
1 822 . 15 1 1 A 73 73 ASN CA C 73 54.736 54.617 0.119 1
1 823 . 15 1 1 A 73 73 ASN CB C 73 36.825 36.852 -0.027 1
1 824 . 15 1 1 A 73 73 ASN N N 73 129.082 127.587 1.495 1
1 825 . 15 1 1 A 74 74 SER H H 74 9.308 8.423 0.885 1
1 826 . 15 1 1 A 74 74 SER C C 74 172.584 173.207 -0.623 1
1 827 . 15 1 1 A 74 74 SER N N 74 106.084 107.997 -1.913 1
1 828 . 15 1 1 A 75 75 CYS H H 75 7.845 7.654 0.191 1
1 829 . 15 1 1 A 75 75 CYS C C 75 176.045 172.761 3.284 1
1 830 . 15 1 1 A 75 75 CYS CA C 75 57.152 58.310 -1.158 1
1 831 . 15 1 1 A 75 75 CYS CB C 75 29.101 31.252 -2.151 1
1 832 . 15 1 1 A 75 75 CYS N N 75 120.460 119.758 0.702 1
1 833 . 15 1 1 A 76 76 ASP H H 76 8.766 8.611 0.155 1
1 834 . 15 1 1 A 76 76 ASP HA H 76 4.295 4.503 -0.208 1
1 837 . 15 1 1 A 76 76 ASP C C 76 177.713 177.509 0.204 1
1 838 . 15 1 1 A 76 76 ASP CA C 76 55.721 55.197 0.524 1
1 839 . 15 1 1 A 76 76 ASP CB C 76 41.513 40.922 0.591 1
1 840 . 15 1 1 A 76 76 ASP N N 76 126.661 124.827 1.834 1
1 841 . 15 1 1 A 77 77 ALA H H 77 8.555 9.277 -0.722 1
1 842 . 15 1 1 A 77 77 ALA HA H 77 3.688 4.191 -0.503 1
1 846 . 15 1 1 A 77 77 ALA C C 77 180.149 179.345 0.804 1
1 847 . 15 1 1 A 77 77 ALA CA C 77 54.334 54.153 0.181 1
1 848 . 15 1 1 A 77 77 ALA CB C 77 18.453 18.573 -0.120 1
1 849 . 15 1 1 A 77 77 ALA N N 77 128.302 126.702 1.600 1
1 850 . 15 1 1 A 78 78 GLU H H 78 9.034 8.428 0.606 1
1 851 . 15 1 1 A 78 78 GLU HA H 78 3.763 4.142 -0.379 1
1 856 . 15 1 1 A 78 78 GLU C C 78 179.359 178.764 0.595 1
1 857 . 15 1 1 A 78 78 GLU CA C 78 59.569 59.472 0.097 1
1 858 . 15 1 1 A 78 78 GLU CB C 78 29.511 29.264 0.247 1
1 860 . 15 1 1 A 78 78 GLU N N 78 117.499 117.168 0.331 1
1 861 . 15 1 1 A 79 79 VAL H H 79 7.753 7.847 -0.094 1
1 862 . 15 1 1 A 79 79 VAL HA H 79 3.927 3.629 0.298 1
1 870 . 15 1 1 A 79 79 VAL C C 79 177.408 178.010 -0.602 1
1 871 . 15 1 1 A 79 79 VAL CA C 79 64.439 66.428 -1.989 1
1 872 . 15 1 1 A 79 79 VAL CB C 79 31.904 31.548 0.356 1
1 875 . 15 1 1 A 79 79 VAL N N 79 115.536 121.414 -5.878 1
1 876 . 15 1 1 A 80 80 VAL H H 80 7.123 7.285 -0.162 1
1 877 . 15 1 1 A 80 80 VAL HA H 80 4.443 3.953 0.490 1
1 885 . 15 1 1 A 80 80 VAL C C 80 175.020 176.850 -1.830 1
1 886 . 15 1 1 A 80 80 VAL CA C 80 60.286 65.117 -4.831 1
1 887 . 15 1 1 A 80 80 VAL CB C 80 30.948 31.774 -0.826 1
1 890 . 15 1 1 A 80 80 VAL N N 80 109.738 116.470 -6.732 1
1 891 . 15 1 1 A 81 81 GLY H H 81 7.210 7.248 -0.038 1
1 892 . 15 1 1 A 81 81 GLY HA2 H 81 4.511 3.996 0.515 1
1 893 . 15 1 1 A 81 81 GLY HA3 H 81 3.664 4.020 -0.356 1
1 894 . 15 1 1 A 81 81 GLY C C 81 175.262 175.797 -0.535 1
1 895 . 15 1 1 A 81 81 GLY CA C 81 44.964 45.523 -0.559 1
1 896 . 15 1 1 A 81 81 GLY N N 81 106.697 109.124 -2.427 1
1 897 . 15 1 1 A 82 82 GLY H H 82 8.673 8.968 -0.295 1
1 898 . 15 1 1 A 82 82 GLY HA2 H 82 4.022 4.035 -0.013 1
1 899 . 15 1 1 A 82 82 GLY HA3 H 82 3.150 4.044 -0.894 1
1 900 . 15 1 1 A 82 82 GLY C C 82 174.547 173.899 0.648 1
1 901 . 15 1 1 A 82 82 GLY CA C 82 45.151 45.888 -0.737 1
1 902 . 15 1 1 A 82 82 GLY N N 82 111.931 108.756 3.175 1
1 903 . 15 1 1 A 83 83 MET H H 83 8.841 7.826 1.015 1
1 904 . 15 1 1 A 83 83 MET HA H 83 4.582 4.858 -0.276 1
1 909 . 15 1 1 A 83 83 MET C C 83 176.001 175.408 0.593 1
1 910 . 15 1 1 A 83 83 MET CA C 83 55.737 54.410 1.327 1
1 911 . 15 1 1 A 83 83 MET CB C 83 30.273 33.085 -2.812 1
1 913 . 15 1 1 A 83 83 MET N N 83 119.840 115.548 4.292 1
1 914 . 15 1 1 A 84 84 ASP H H 84 7.395 8.350 -0.955 1
1 915 . 15 1 1 A 84 84 ASP HA H 84 4.695 4.975 -0.280 1
1 918 . 15 1 1 A 84 84 ASP C C 84 176.694 175.563 1.131 1
1 919 . 15 1 1 A 84 84 ASP CA C 84 54.300 53.079 1.221 1
1 920 . 15 1 1 A 84 84 ASP CB C 84 41.551 41.586 -0.035 1
1 921 . 15 1 1 A 84 84 ASP N N 84 114.478 120.534 -6.056 1
1 922 . 15 1 1 A 85 85 TYR H H 85 7.930 7.816 0.114 1
1 923 . 15 1 1 A 85 85 TYR HA H 85 4.148 4.547 -0.399 1
1 926 . 15 1 1 A 85 85 TYR C C 85 173.845 175.119 -1.274 1
1 927 . 15 1 1 A 85 85 TYR CA C 85 59.520 57.303 2.217 1
1 928 . 15 1 1 A 85 85 TYR CB C 85 38.105 38.782 -0.677 1
1 929 . 15 1 1 A 85 85 TYR N N 85 123.769 120.580 3.189 1
1 930 . 15 1 1 A 86 86 VAL H H 86 7.755 8.257 -0.502 1
1 931 . 15 1 1 A 86 86 VAL HA H 86 3.402 4.217 -0.815 1
1 939 . 15 1 1 A 86 86 VAL C C 86 173.896 175.682 -1.786 1
1 940 . 15 1 1 A 86 86 VAL CA C 86 62.779 61.843 0.936 1
1 941 . 15 1 1 A 86 86 VAL CB C 86 31.843 32.735 -0.892 1
1 944 . 15 1 1 A 86 86 VAL N N 86 130.130 124.379 5.751 1
1 945 . 15 1 1 A 87 87 LEU H H 87 7.069 8.501 -1.432 1
1 946 . 15 1 1 A 87 87 LEU HA H 87 3.833 5.143 -1.310 1
1 956 . 15 1 1 A 87 87 LEU C C 87 176.432 176.210 0.222 1
1 957 . 15 1 1 A 87 87 LEU CA C 87 55.977 53.427 2.550 1
1 958 . 15 1 1 A 87 87 LEU CB C 87 42.126 44.615 -2.489 1
1 962 . 15 1 1 A 87 87 LEU N N 87 121.577 127.086 -5.509 1
1 963 . 15 1 1 A 88 88 ASN H H 88 8.705 8.511 0.194 1
1 964 . 15 1 1 A 88 88 ASN HA H 88 4.717 4.960 -0.243 1
1 967 . 15 1 1 A 88 88 ASN C C 88 173.156 174.749 -1.593 1
1 968 . 15 1 1 A 88 88 ASN CA C 88 51.471 51.972 -0.501 1
1 969 . 15 1 1 A 88 88 ASN CB C 88 41.622 38.725 2.897 1
1 970 . 15 1 1 A 88 88 ASN N N 88 120.561 120.523 0.038 1
1 971 . 15 1 1 A 89 89 ASP H H 89 8.482 8.130 0.352 1
1 972 . 15 1 1 A 89 89 ASP HA H 89 3.937 4.239 -0.302 1
1 975 . 15 1 1 A 89 89 ASP C C 89 178.751 176.573 2.178 1
1 976 . 15 1 1 A 89 89 ASP CA C 89 56.268 55.225 1.043 1
1 977 . 15 1 1 A 89 89 ASP CB C 89 40.380 40.202 0.178 1
1 978 . 15 1 1 A 89 89 ASP N N 89 122.084 117.946 4.138 1
1 979 . 15 1 1 A 90 90 GLY H H 90 9.334 7.788 1.546 1
1 980 . 15 1 1 A 90 90 GLY HA2 H 90 4.314 3.958 0.356 1
1 981 . 15 1 1 A 90 90 GLY HA3 H 90 3.619 4.002 -0.383 1
1 982 . 15 1 1 A 90 90 GLY C C 90 174.907 173.373 1.534 1
1 983 . 15 1 1 A 90 90 GLY CA C 90 45.076 45.527 -0.451 1
1 984 . 15 1 1 A 90 90 GLY N N 90 117.218 105.305 11.913 1
1 985 . 15 1 1 A 91 91 ASP H H 91 7.987 7.943 0.044 1
1 986 . 15 1 1 A 91 91 ASP HA H 91 4.745 4.790 -0.045 1
1 989 . 15 1 1 A 91 91 ASP C C 91 175.436 175.252 0.184 1
1 990 . 15 1 1 A 91 91 ASP CA C 91 55.954 53.655 2.299 1
1 991 . 15 1 1 A 91 91 ASP CB C 91 41.876 42.148 -0.272 1
1 992 . 15 1 1 A 91 91 ASP N N 91 122.336 121.274 1.062 1
1 993 . 15 1 1 A 92 92 THR H H 92 8.227 8.629 -0.402 1
1 994 . 15 1 1 A 92 92 THR HA H 92 5.093 5.201 -0.108 1
1 999 . 15 1 1 A 92 92 THR C C 92 173.702 172.779 0.923 1
1 1000 . 15 1 1 A 92 92 THR CA C 92 61.477 61.367 0.110 1
1 1001 . 15 1 1 A 92 92 THR CB C 92 70.032 71.616 -1.584 1
1 1003 . 15 1 1 A 92 92 THR N N 92 115.456 117.286 -1.830 1
1 1004 . 15 1 1 A 93 93 VAL H H 93 9.039 8.806 0.233 1
1 1005 . 15 1 1 A 93 93 VAL HA H 93 4.731 4.973 -0.242 1
1 1013 . 15 1 1 A 93 93 VAL C C 93 173.391 172.905 0.486 1
1 1014 . 15 1 1 A 93 93 VAL CA C 93 59.984 59.927 0.057 1
1 1015 . 15 1 1 A 93 93 VAL CB C 93 33.978 35.155 -1.177 1
1 1018 . 15 1 1 A 93 93 VAL N N 93 129.109 125.351 3.758 1
1 1019 . 15 1 1 A 94 94 GLU H H 94 9.012 8.446 0.566 1
1 1020 . 15 1 1 A 94 94 GLU HA H 94 4.941 4.753 0.188 1
1 1025 . 15 1 1 A 94 94 GLU C C 94 173.669 174.980 -1.311 1
1 1026 . 15 1 1 A 94 94 GLU CA C 94 53.577 54.366 -0.789 1
1 1027 . 15 1 1 A 94 94 GLU CB C 94 32.853 33.816 -0.963 1
1 1029 . 15 1 1 A 94 94 GLU N N 94 126.881 126.964 -0.083 1
1 1030 . 15 1 1 A 95 95 PHE H H 95 9.012 8.416 0.596 1
1 1031 . 15 1 1 A 95 95 PHE HA H 95 4.941 5.259 -0.318 1
1 1034 . 15 1 1 A 95 95 PHE C C 95 174.687 174.444 0.243 1
1 1035 . 15 1 1 A 95 95 PHE CA C 95 56.843 56.491 0.352 1
1 1036 . 15 1 1 A 95 95 PHE CB C 95 40.889 40.372 0.517 1
1 1037 . 15 1 1 A 95 95 PHE N N 95 122.718 120.890 1.828 1
1 1038 . 15 1 1 A 96 96 ILE H H 96 9.292 9.353 -0.061 1
1 1039 . 15 1 1 A 96 96 ILE HA H 96 4.573 4.692 -0.119 1
1 1049 . 15 1 1 A 96 96 ILE C C 96 175.897 175.537 0.360 1
1 1050 . 15 1 1 A 96 96 ILE CA C 96 59.748 60.644 -0.896 1
1 1051 . 15 1 1 A 96 96 ILE CB C 96 40.938 39.256 1.682 1
1 1055 . 15 1 1 A 96 96 ILE N N 96 123.112 125.457 -2.345 1
1 1056 . 15 1 1 A 97 97 SER H H 97 8.245 8.534 -0.289 1
1 1057 . 15 1 1 A 97 97 SER HA H 97 4.800 4.909 -0.109 1
1 1060 . 15 1 1 A 97 97 SER C C 97 175.130 174.031 1.099 1
1 1061 . 15 1 1 A 97 97 SER CA C 97 58.154 57.960 0.194 1
1 1062 . 15 1 1 A 97 97 SER CB C 97 63.137 64.054 -0.917 1
1 1063 . 15 1 1 A 97 97 SER N N 97 121.343 123.184 -1.841 1
1 1064 . 15 1 1 A 98 98 THR H H 98 8.181 9.068 -0.887 1
1 1065 . 15 1 1 A 98 98 THR HA H 98 4.549 4.574 -0.025 1
1 1070 . 15 1 1 A 98 98 THR C C 98 174.729 174.371 0.358 1
1 1071 . 15 1 1 A 98 98 THR CA C 98 61.603 63.686 -2.083 1
1 1072 . 15 1 1 A 98 98 THR CB C 98 69.890 71.351 -1.461 1
1 1074 . 15 1 1 A 98 98 THR N N 98 116.451 116.052 0.399 1
1 1075 . 15 1 1 A 99 99 LEU H H 99 8.033 7.749 0.284 1
1 1076 . 15 1 1 A 99 99 LEU HA H 99 4.234 4.376 -0.142 1
1 1086 . 15 1 1 A 99 99 LEU C C 99 177.349 176.333 1.016 1
1 1087 . 15 1 1 A 99 99 LEU CA C 99 55.517 54.252 1.265 1
1 1088 . 15 1 1 A 99 99 LEU CB C 99 41.996 40.925 1.071 1
1 1092 . 15 1 1 A 99 99 LEU N N 99 122.869 121.137 1.732 1
1 1093 . 15 1 1 A 100 100 HIS H H 100 8.558 8.810 -0.252 1
1 1094 . 15 1 1 A 100 100 HIS HA H 100 4.460 4.871 -0.411 1
1 1097 . 15 1 1 A 100 100 HIS C C 100 175.718 175.701 0.017 1
1 1098 . 15 1 1 A 100 100 HIS CA C 100 56.096 54.526 1.570 1
1 1099 . 15 1 1 A 100 100 HIS CB C 100 29.709 30.761 -1.052 1
1 1100 . 15 1 1 A 100 100 HIS N N 100 120.437 126.028 -5.591 1
1 1101 . 15 1 1 A 101 101 GLY H H 101 8.477 7.924 0.553 1
1 1102 . 15 1 1 A 101 101 GLY HA2 H 101 3.888 3.891 -0.003 1
1 1103 . 15 1 1 A 101 101 GLY HA3 H 101 3.888 3.944 -0.056 1
1 1104 . 15 1 1 A 101 101 GLY C C 101 174.614 174.188 0.426 1
1 1105 . 15 1 1 A 101 101 GLY CA C 101 45.529 46.075 -0.546 1
1 1106 . 15 1 1 A 101 101 GLY N N 101 110.340 109.039 1.301 1
1 7 . 16 1 1 A 2 2 SER H H 2 8.206 8.928 -0.722 1
1 8 . 16 1 1 A 2 2 SER N N 2 126.498 121.483 5.015 1
1 9 . 16 1 1 A 3 3 ASN HA H 3 5.166 5.139 0.027 1
1 12 . 16 1 1 A 3 3 ASN C C 3 175.527 173.798 1.729 1
1 13 . 16 1 1 A 3 3 ASN CA C 3 51.466 52.755 -1.289 1
1 14 . 16 1 1 A 3 3 ASN CB C 3 39.931 39.838 0.093 1
1 15 . 16 1 1 A 4 4 HIS H H 4 8.859 9.058 -0.199 1
1 16 . 16 1 1 A 4 4 HIS HA H 4 4.165 4.654 -0.489 1
1 19 . 16 1 1 A 4 4 HIS C C 4 175.897 174.702 1.195 1
1 20 . 16 1 1 A 4 4 HIS CA C 4 56.644 57.383 -0.739 1
1 21 . 16 1 1 A 4 4 HIS CB C 4 30.122 30.697 -0.575 1
1 22 . 16 1 1 A 4 4 HIS N N 4 120.656 124.971 -4.315 1
1 23 . 16 1 1 A 5 5 ASN H H 5 8.263 8.322 -0.059 1
1 24 . 16 1 1 A 5 5 ASN HA H 5 4.274 5.168 -0.894 1
1 27 . 16 1 1 A 5 5 ASN C C 5 177.939 175.219 2.720 1
1 28 . 16 1 1 A 5 5 ASN CA C 5 57.261 53.387 3.874 1
1 29 . 16 1 1 A 5 5 ASN CB C 5 38.232 38.632 -0.400 1
1 30 . 16 1 1 A 5 5 ASN N N 5 121.699 120.779 0.920 1
1 31 . 16 1 1 A 6 6 HIS H H 6 9.675 8.994 0.681 1
1 32 . 16 1 1 A 6 6 HIS HA H 6 5.261 5.127 0.134 1
1 35 . 16 1 1 A 6 6 HIS C C 6 171.876 172.663 -0.787 1
1 36 . 16 1 1 A 6 6 HIS CA C 6 56.016 55.069 0.947 1
1 37 . 16 1 1 A 6 6 HIS CB C 6 31.324 31.841 -0.517 1
1 38 . 16 1 1 A 6 6 HIS N N 6 117.245 115.837 1.408 1
1 39 . 16 1 1 A 7 7 ILE H H 7 7.753 8.631 -0.878 1
1 40 . 16 1 1 A 7 7 ILE HA H 7 4.442 4.363 0.079 1
1 50 . 16 1 1 A 7 7 ILE C C 7 174.518 175.473 -0.955 1
1 51 . 16 1 1 A 7 7 ILE CA C 7 57.922 60.411 -2.489 1
1 52 . 16 1 1 A 7 7 ILE CB C 7 39.790 38.644 1.146 1
1 56 . 16 1 1 A 7 7 ILE N N 7 126.114 125.231 0.883 1
1 57 . 16 1 1 A 8 8 THR H H 8 8.238 8.101 0.137 1
1 58 . 16 1 1 A 8 8 THR HA H 8 4.733 4.737 -0.004 1
1 63 . 16 1 1 A 8 8 THR C C 8 172.672 172.561 0.111 1
1 64 . 16 1 1 A 8 8 THR CA C 8 62.203 61.784 0.419 1
1 65 . 16 1 1 A 8 8 THR CB C 8 70.202 69.727 0.475 1
1 67 . 16 1 1 A 8 8 THR N N 8 123.879 121.011 2.868 1
1 68 . 16 1 1 A 9 9 VAL H H 9 8.717 9.141 -0.424 1
1 69 . 16 1 1 A 9 9 VAL HA H 9 5.165 5.059 0.106 1
1 77 . 16 1 1 A 9 9 VAL C C 9 173.545 174.530 -0.985 1
1 78 . 16 1 1 A 9 9 VAL CA C 9 59.279 59.938 -0.659 1
1 79 . 16 1 1 A 9 9 VAL CB C 9 33.495 34.112 -0.617 1
1 82 . 16 1 1 A 9 9 VAL N N 9 124.808 127.247 -2.439 1
1 83 . 16 1 1 A 10 10 GLN H H 10 8.863 8.336 0.527 1
1 84 . 16 1 1 A 10 10 GLN HA H 10 4.841 4.995 -0.154 1
1 87 . 16 1 1 A 10 10 GLN C C 10 173.774 173.670 0.104 1
1 88 . 16 1 1 A 10 10 GLN CA C 10 53.092 53.437 -0.345 1
1 89 . 16 1 1 A 10 10 GLN CB C 10 32.226 32.877 -0.651 1
1 91 . 16 1 1 A 10 10 GLN N N 10 123.709 125.485 -1.776 1
1 92 . 16 1 1 A 11 11 PHE H H 11 8.252 8.462 -0.210 1
1 93 . 16 1 1 A 11 11 PHE HA H 11 5.661 5.565 0.096 1
1 96 . 16 1 1 A 11 11 PHE C C 11 175.180 174.887 0.293 1
1 97 . 16 1 1 A 11 11 PHE CA C 11 55.799 56.730 -0.931 1
1 98 . 16 1 1 A 11 11 PHE CB C 11 43.197 43.779 -0.582 1
1 99 . 16 1 1 A 11 11 PHE N N 11 119.002 117.127 1.875 1
1 100 . 16 1 1 A 12 12 ALA H H 12 8.989 8.461 0.528 1
1 101 . 16 1 1 A 12 12 ALA HA H 12 4.971 4.803 0.168 1
1 105 . 16 1 1 A 12 12 ALA C C 12 179.413 176.339 3.074 1
1 106 . 16 1 1 A 12 12 ALA CA C 12 51.675 51.300 0.375 1
1 107 . 16 1 1 A 12 12 ALA CB C 12 23.716 22.300 1.416 1
1 108 . 16 1 1 A 12 12 ALA N N 12 123.388 121.790 1.598 1
1 109 . 16 1 1 A 13 13 GLY H H 13 9.188 8.967 0.221 1
1 110 . 16 1 1 A 13 13 GLY HA2 H 13 4.477 3.849 0.628 1
1 111 . 16 1 1 A 13 13 GLY HA3 H 13 3.937 3.863 0.074 1
1 112 . 16 1 1 A 13 13 GLY C C 13 173.600 175.286 -1.686 1
1 113 . 16 1 1 A 13 13 GLY CA C 13 46.252 46.780 -0.528 1
1 114 . 16 1 1 A 13 13 GLY N N 13 110.134 109.526 0.608 1
1 115 . 16 1 1 A 14 14 GLY H H 14 9.510 8.706 0.804 1
1 116 . 16 1 1 A 14 14 GLY HA2 H 14 4.600 3.740 0.860 1
1 117 . 16 1 1 A 14 14 GLY HA3 H 14 3.453 3.946 -0.493 1
1 118 . 16 1 1 A 14 14 GLY C C 14 177.136 174.441 2.695 1
1 119 . 16 1 1 A 14 14 GLY CA C 14 44.792 46.047 -1.255 1
1 120 . 16 1 1 A 14 14 GLY N N 14 109.966 106.523 3.443 1
1 121 . 16 1 1 A 15 15 CYS H H 15 7.748 8.119 -0.371 1
1 122 . 16 1 1 A 15 15 CYS HA H 15 3.883 4.520 -0.637 1
1 125 . 16 1 1 A 15 15 CYS C C 15 175.011 176.572 -1.561 1
1 126 . 16 1 1 A 15 15 CYS CA C 15 62.034 59.751 2.283 1
1 127 . 16 1 1 A 15 15 CYS N N 15 121.082 120.898 0.184 1
1 128 . 16 1 1 A 16 16 GLU H H 16 7.837 8.474 -0.637 1
1 129 . 16 1 1 A 16 16 GLU HA H 16 4.009 3.951 0.058 1
1 134 . 16 1 1 A 16 16 GLU C C 16 178.419 177.532 0.887 1
1 135 . 16 1 1 A 16 16 GLU CA C 16 58.599 58.761 -0.162 1
1 136 . 16 1 1 A 16 16 GLU CB C 16 27.745 28.289 -0.544 1
1 138 . 16 1 1 A 16 16 GLU N N 16 120.416 118.594 1.822 1
1 139 . 16 1 1 A 17 17 LEU H H 17 7.626 7.887 -0.261 1
1 140 . 16 1 1 A 17 17 LEU HA H 17 3.927 4.117 -0.190 1
1 150 . 16 1 1 A 17 17 LEU C C 17 178.349 177.599 0.750 1
1 151 . 16 1 1 A 17 17 LEU CA C 17 57.105 56.692 0.413 1
1 152 . 16 1 1 A 17 17 LEU CB C 17 40.474 41.563 -1.089 1
1 156 . 16 1 1 A 17 17 LEU N N 17 122.648 121.118 1.530 1
1 157 . 16 1 1 A 18 18 LEU H H 18 7.488 7.562 -0.074 1
1 158 . 16 1 1 A 18 18 LEU HA H 18 4.143 4.250 -0.107 1
1 168 . 16 1 1 A 18 18 LEU C C 18 175.859 176.523 -0.664 1
1 169 . 16 1 1 A 18 18 LEU CA C 18 55.729 54.630 1.099 1
1 170 . 16 1 1 A 18 18 LEU CB C 18 40.532 41.367 -0.835 1
1 174 . 16 1 1 A 18 18 LEU N N 18 117.565 117.733 -0.168 1
1 175 . 16 1 1 A 19 19 PHE H H 19 7.164 7.601 -0.437 1
1 176 . 16 1 1 A 19 19 PHE HA H 19 4.395 4.868 -0.473 1
1 179 . 16 1 1 A 19 19 PHE C C 19 176.362 175.263 1.099 1
1 180 . 16 1 1 A 19 19 PHE CA C 19 56.373 58.766 -2.393 1
1 181 . 16 1 1 A 19 19 PHE CB C 19 39.143 40.398 -1.255 1
1 182 . 16 1 1 A 19 19 PHE N N 19 117.899 120.084 -2.185 1
1 183 . 16 1 1 A 20 20 ALA H H 20 8.780 7.756 1.024 1
1 184 . 16 1 1 A 20 20 ALA HA H 20 4.087 4.522 -0.435 1
1 188 . 16 1 1 A 20 20 ALA C C 20 176.512 177.224 -0.712 1
1 189 . 16 1 1 A 20 20 ALA CA C 20 53.279 51.412 1.867 1
1 190 . 16 1 1 A 20 20 ALA CB C 20 17.047 19.487 -2.440 1
1 191 . 16 1 1 A 20 20 ALA N N 20 123.417 119.638 3.779 1
1 192 . 16 1 1 A 21 21 LYS H H 21 7.825 8.040 -0.215 1
1 193 . 16 1 1 A 21 21 LYS HA H 21 3.181 3.840 -0.659 1
1 202 . 16 1 1 A 21 21 LYS C C 21 175.295 175.524 -0.229 1
1 203 . 16 1 1 A 21 21 LYS CA C 21 58.666 57.386 1.280 1
1 204 . 16 1 1 A 21 21 LYS CB C 21 29.784 29.566 0.218 1
1 208 . 16 1 1 A 21 21 LYS N N 21 108.448 112.506 -4.058 1
1 209 . 16 1 1 A 22 22 GLN H H 22 7.611 7.998 -0.387 1
1 210 . 16 1 1 A 22 22 GLN HA H 22 4.429 4.485 -0.056 1
1 215 . 16 1 1 A 22 22 GLN C C 22 174.967 176.234 -1.267 1
1 216 . 16 1 1 A 22 22 GLN CA C 22 56.105 55.918 0.187 1
1 217 . 16 1 1 A 22 22 GLN CB C 22 29.548 30.431 -0.883 1
1 219 . 16 1 1 A 22 22 GLN N N 22 120.482 117.776 2.706 1
1 220 . 16 1 1 A 23 23 THR H H 23 8.201 8.642 -0.441 1
1 221 . 16 1 1 A 23 23 THR HA H 23 4.491 4.475 0.016 1
1 226 . 16 1 1 A 23 23 THR C C 23 175.012 174.988 0.024 1
1 227 . 16 1 1 A 23 23 THR CA C 23 62.436 62.227 0.209 1
1 228 . 16 1 1 A 23 23 THR CB C 23 69.501 69.237 0.264 1
1 229 . 16 1 1 A 23 23 THR N N 23 110.354 113.205 -2.851 1
1 230 . 16 1 1 A 24 24 SER H H 24 7.751 8.014 -0.263 1
1 231 . 16 1 1 A 24 24 SER HA H 24 5.136 4.980 0.156 1
1 234 . 16 1 1 A 24 24 SER C C 24 172.623 173.042 -0.419 1
1 235 . 16 1 1 A 24 24 SER CA C 24 57.192 56.735 0.457 1
1 236 . 16 1 1 A 24 24 SER CB C 24 65.459 66.911 -1.452 1
1 237 . 16 1 1 A 24 24 SER N N 24 114.575 114.375 0.200 1
1 238 . 16 1 1 A 25 25 LEU H H 25 9.272 8.726 0.546 1
1 239 . 16 1 1 A 25 25 LEU HA H 25 4.531 4.972 -0.441 1
1 249 . 16 1 1 A 25 25 LEU C C 25 174.436 175.125 -0.689 1
1 250 . 16 1 1 A 25 25 LEU CA C 25 53.929 53.745 0.184 1
1 251 . 16 1 1 A 25 25 LEU CB C 25 45.561 46.721 -1.160 1
1 255 . 16 1 1 A 25 25 LEU N N 25 124.288 121.036 3.252 1
1 256 . 16 1 1 A 26 26 GLN H H 26 8.573 8.812 -0.239 1
1 257 . 16 1 1 A 26 26 GLN HA H 26 4.607 5.555 -0.948 1
1 262 . 16 1 1 A 26 26 GLN C C 26 173.250 174.836 -1.586 1
1 263 . 16 1 1 A 26 26 GLN CA C 26 54.207 54.400 -0.193 1
1 264 . 16 1 1 A 26 26 GLN CB C 26 27.813 30.957 -3.144 1
1 266 . 16 1 1 A 26 26 GLN N N 26 122.971 121.061 1.910 1
1 267 . 16 1 1 A 27 27 LEU H H 27 8.753 8.898 -0.145 1
1 268 . 16 1 1 A 27 27 LEU HA H 27 4.414 4.867 -0.453 1
1 272 . 16 1 1 A 27 27 LEU C C 27 175.313 175.791 -0.478 1
1 273 . 16 1 1 A 27 27 LEU CA C 27 53.132 53.480 -0.348 1
1 274 . 16 1 1 A 27 27 LEU CB C 27 40.489 44.018 -3.529 1
1 278 . 16 1 1 A 27 27 LEU N N 27 126.504 126.097 0.407 1
1 279 . 16 1 1 A 28 28 ASP H H 28 8.568 8.836 -0.268 1
1 280 . 16 1 1 A 28 28 ASP HA H 28 4.414 5.140 -0.726 1
1 283 . 16 1 1 A 28 28 ASP C C 28 176.147 176.473 -0.326 1
1 284 . 16 1 1 A 28 28 ASP CA C 28 53.407 53.129 0.278 1
1 285 . 16 1 1 A 28 28 ASP CB C 28 40.535 41.636 -1.101 1
1 286 . 16 1 1 A 28 28 ASP N N 28 112.805 123.667 -10.862 1
1 287 . 16 1 1 A 29 29 GLY H H 29 7.770 8.694 -0.924 1
1 288 . 16 1 1 A 29 29 GLY HA2 H 29 3.942 4.158 -0.216 1
1 289 . 16 1 1 A 29 29 GLY HA3 H 29 3.806 4.166 -0.360 1
1 290 . 16 1 1 A 29 29 GLY C C 29 174.455 174.825 -0.370 1
1 291 . 16 1 1 A 29 29 GLY CA C 29 47.297 44.684 2.613 1
1 292 . 16 1 1 A 29 29 GLY N N 29 129.863 109.208 20.655 1
1 293 . 16 1 1 A 30 30 VAL H H 30 7.792 8.622 -0.830 1
1 294 . 16 1 1 A 30 30 VAL HA H 30 4.391 4.385 0.006 1
1 302 . 16 1 1 A 30 30 VAL C C 30 174.315 176.152 -1.837 1
1 303 . 16 1 1 A 30 30 VAL CA C 30 62.180 62.170 0.010 1
1 304 . 16 1 1 A 30 30 VAL CB C 30 35.931 33.482 2.449 1
1 307 . 16 1 1 A 30 30 VAL N N 30 112.711 117.694 -4.983 1
1 308 . 16 1 1 A 31 31 VAL H H 31 8.748 7.799 0.949 1
1 309 . 16 1 1 A 31 31 VAL C C 31 172.882 175.174 -2.292 1
1 310 . 16 1 1 A 31 31 VAL CA C 31 62.284 59.032 3.252 1
1 311 . 16 1 1 A 31 31 VAL CB C 31 33.804 31.702 2.102 1
1 312 . 16 1 1 A 31 31 VAL N N 31 123.316 119.160 4.156 1
1 313 . 16 1 1 A 32 32 PRO HA H 32 5.038 4.475 0.563 1
1 320 . 16 1 1 A 32 32 PRO C C 32 179.633 177.670 1.963 1
1 321 . 16 1 1 A 32 32 PRO CA C 32 63.073 63.532 -0.459 1
1 322 . 16 1 1 A 32 32 PRO CB C 32 32.421 32.088 0.333 1
1 325 . 16 1 1 A 33 33 THR H H 33 8.739 7.779 0.960 1
1 326 . 16 1 1 A 33 33 THR HA H 33 3.896 3.932 -0.036 1
1 331 . 16 1 1 A 33 33 THR C C 33 174.735 176.218 -1.483 1
1 332 . 16 1 1 A 33 33 THR CA C 33 64.329 66.082 -1.753 1
1 333 . 16 1 1 A 33 33 THR CB C 33 67.929 68.340 -0.411 1
1 335 . 16 1 1 A 33 33 THR N N 33 120.858 113.040 7.818 1
1 336 . 16 1 1 A 34 34 GLY H H 34 8.303 7.999 0.304 1
1 337 . 16 1 1 A 34 34 GLY HA2 H 34 4.359 3.870 0.489 1
1 338 . 16 1 1 A 34 34 GLY HA3 H 34 3.451 3.876 -0.425 1
1 339 . 16 1 1 A 34 34 GLY C C 34 174.037 173.312 0.725 1
1 340 . 16 1 1 A 34 34 GLY CA C 34 45.067 46.224 -1.157 1
1 341 . 16 1 1 A 34 34 GLY N N 34 114.645 108.173 6.472 1
1 342 . 16 1 1 A 35 35 THR H H 35 7.405 6.903 0.502 1
1 343 . 16 1 1 A 35 35 THR HA H 35 4.073 4.955 -0.882 1
1 348 . 16 1 1 A 35 35 THR C C 35 174.540 174.284 0.256 1
1 349 . 16 1 1 A 35 35 THR CA C 35 65.137 61.123 4.014 1
1 350 . 16 1 1 A 35 35 THR CB C 35 69.484 71.270 -1.786 1
1 352 . 16 1 1 A 35 35 THR N N 35 117.340 114.102 3.238 1
1 353 . 16 1 1 A 36 36 ASN H H 36 8.836 8.576 0.260 1
1 354 . 16 1 1 A 36 36 ASN HA H 36 5.686 5.031 0.655 1
1 357 . 16 1 1 A 36 36 ASN C C 36 176.512 175.678 0.834 1
1 358 . 16 1 1 A 36 36 ASN CA C 36 50.439 50.954 -0.515 1
1 359 . 16 1 1 A 36 36 ASN CB C 36 40.274 39.823 0.451 1
1 360 . 16 1 1 A 36 36 ASN N N 36 127.379 125.729 1.650 1
1 361 . 16 1 1 A 37 37 LEU H H 37 8.045 8.769 -0.724 1
1 362 . 16 1 1 A 37 37 LEU HA H 37 4.142 4.036 0.106 1
1 372 . 16 1 1 A 37 37 LEU C C 37 178.931 178.140 0.791 1
1 373 . 16 1 1 A 37 37 LEU CA C 37 59.274 58.553 0.721 1
1 374 . 16 1 1 A 37 37 LEU CB C 37 42.159 41.285 0.874 1
1 378 . 16 1 1 A 37 37 LEU N N 37 119.164 119.837 -0.673 1
1 379 . 16 1 1 A 38 38 ASN H H 38 7.959 8.436 -0.477 1
1 380 . 16 1 1 A 38 38 ASN HA H 38 4.502 4.394 0.108 1
1 383 . 16 1 1 A 38 38 ASN C C 38 178.691 178.118 0.573 1
1 384 . 16 1 1 A 38 38 ASN CA C 38 57.080 56.528 0.552 1
1 385 . 16 1 1 A 38 38 ASN CB C 38 38.367 38.709 -0.342 1
1 386 . 16 1 1 A 38 38 ASN N N 38 118.522 117.029 1.493 1
1 387 . 16 1 1 A 39 39 GLY H H 39 8.828 8.037 0.791 1
1 388 . 16 1 1 A 39 39 GLY HA2 H 39 4.088 3.664 0.424 1
1 389 . 16 1 1 A 39 39 GLY HA3 H 39 3.911 3.673 0.238 1
1 390 . 16 1 1 A 39 39 GLY C C 39 177.320 175.526 1.794 1
1 391 . 16 1 1 A 39 39 GLY CA C 39 46.879 47.157 -0.278 1
1 392 . 16 1 1 A 39 39 GLY N N 39 109.615 107.245 2.370 1
1 393 . 16 1 1 A 40 40 LEU H H 40 8.829 8.399 0.430 1
1 394 . 16 1 1 A 40 40 LEU HA H 40 4.504 4.064 0.440 1
1 404 . 16 1 1 A 40 40 LEU C C 40 177.788 178.476 -0.688 1
1 405 . 16 1 1 A 40 40 LEU CA C 40 57.770 57.655 0.115 1
1 406 . 16 1 1 A 40 40 LEU CB C 40 41.713 41.739 -0.026 1
1 410 . 16 1 1 A 40 40 LEU N N 40 125.884 123.021 2.863 1
1 411 . 16 1 1 A 41 41 VAL H H 41 8.333 8.194 0.139 1
1 412 . 16 1 1 A 41 41 VAL HA H 41 3.328 3.906 -0.578 1
1 420 . 16 1 1 A 41 41 VAL C C 41 177.556 178.216 -0.660 1
1 421 . 16 1 1 A 41 41 VAL CA C 41 67.977 65.303 2.674 1
1 422 . 16 1 1 A 41 41 VAL CB C 41 31.080 31.151 -0.071 1
1 425 . 16 1 1 A 41 41 VAL N N 41 120.213 116.892 3.321 1
1 426 . 16 1 1 A 42 42 GLN H H 42 7.672 8.314 -0.642 1
1 427 . 16 1 1 A 42 42 GLN HA H 42 3.866 4.051 -0.185 1
1 432 . 16 1 1 A 42 42 GLN C C 42 177.980 178.351 -0.371 1
1 433 . 16 1 1 A 42 42 GLN CA C 42 58.694 59.080 -0.386 1
1 434 . 16 1 1 A 42 42 GLN CB C 42 27.809 28.246 -0.437 1
1 436 . 16 1 1 A 42 42 GLN N N 42 116.386 121.336 -4.950 1
1 437 . 16 1 1 A 43 43 LEU H H 43 8.080 7.696 0.384 1
1 438 . 16 1 1 A 43 43 LEU HA H 43 4.225 4.169 0.056 1
1 448 . 16 1 1 A 43 43 LEU C C 43 179.999 178.455 1.544 1
1 449 . 16 1 1 A 43 43 LEU CA C 43 58.275 57.440 0.835 1
1 450 . 16 1 1 A 43 43 LEU CB C 43 43.046 41.163 1.883 1
1 454 . 16 1 1 A 43 43 LEU N N 43 122.204 121.193 1.011 1
1 455 . 16 1 1 A 44 44 LEU H H 44 8.810 8.099 0.711 1
1 456 . 16 1 1 A 44 44 LEU HA H 44 4.384 4.357 0.027 1
1 466 . 16 1 1 A 44 44 LEU C C 44 179.311 179.015 0.296 1
1 467 . 16 1 1 A 44 44 LEU CA C 44 58.397 57.213 1.184 1
1 468 . 16 1 1 A 44 44 LEU CB C 44 41.553 42.605 -1.052 1
1 472 . 16 1 1 A 44 44 LEU N N 44 119.371 117.858 1.513 1
1 473 . 16 1 1 A 45 45 LYS H H 45 8.652 8.427 0.225 1
1 474 . 16 1 1 A 45 45 LYS HA H 45 3.678 4.171 -0.493 1
1 483 . 16 1 1 A 45 45 LYS C C 45 177.005 179.014 -2.009 1
1 484 . 16 1 1 A 45 45 LYS CA C 45 60.016 59.030 0.986 1
1 485 . 16 1 1 A 45 45 LYS CB C 45 32.411 32.345 0.066 1
1 489 . 16 1 1 A 45 45 LYS N N 45 120.434 119.907 0.527 1
1 490 . 16 1 1 A 46 46 THR H H 46 8.180 8.360 -0.180 1
1 491 . 16 1 1 A 46 46 THR HA H 46 4.027 4.099 -0.072 1
1 496 . 16 1 1 A 46 46 THR C C 46 176.217 176.561 -0.344 1
1 497 . 16 1 1 A 46 46 THR CA C 46 65.173 65.906 -0.733 1
1 498 . 16 1 1 A 46 46 THR CB C 46 69.680 68.407 1.273 1
1 500 . 16 1 1 A 46 46 THR N N 46 109.149 116.142 -6.993 1
1 501 . 16 1 1 A 47 47 ASN H H 47 8.170 7.704 0.466 1
1 502 . 16 1 1 A 47 47 ASN HA H 47 4.785 4.713 0.072 1
1 505 . 16 1 1 A 47 47 ASN C C 47 175.267 175.438 -0.171 1
1 506 . 16 1 1 A 47 47 ASN CA C 47 54.213 54.873 -0.660 1
1 507 . 16 1 1 A 47 47 ASN CB C 47 40.712 40.268 0.444 1
1 508 . 16 1 1 A 47 47 ASN N N 47 116.045 118.515 -2.470 1
1 509 . 16 1 1 A 48 48 TYR H H 48 8.094 7.781 0.313 1
1 510 . 16 1 1 A 48 48 TYR HA H 48 4.695 4.797 -0.102 1
1 513 . 16 1 1 A 48 48 TYR C C 48 175.011 175.676 -0.665 1
1 514 . 16 1 1 A 48 48 TYR CA C 48 60.273 56.897 3.376 1
1 515 . 16 1 1 A 48 48 TYR CB C 48 41.189 38.763 2.426 1
1 516 . 16 1 1 A 48 48 TYR N N 48 115.849 117.461 -1.612 1
1 517 . 16 1 1 A 49 49 VAL H H 49 7.769 7.809 -0.040 1
1 518 . 16 1 1 A 49 49 VAL HA H 49 3.715 4.083 -0.368 1
1 526 . 16 1 1 A 49 49 VAL C C 49 176.157 175.753 0.404 1
1 527 . 16 1 1 A 49 49 VAL CA C 49 63.454 64.358 -0.904 1
1 528 . 16 1 1 A 49 49 VAL CB C 49 31.695 32.562 -0.867 1
1 531 . 16 1 1 A 49 49 VAL N N 49 120.510 124.874 -4.364 1
1 532 . 16 1 1 A 50 50 LYS H H 50 8.334 7.876 0.458 1
1 533 . 16 1 1 A 50 50 LYS HA H 50 4.242 3.601 0.641 1
1 542 . 16 1 1 A 50 50 LYS C C 50 176.562 174.937 1.625 1
1 543 . 16 1 1 A 50 50 LYS CA C 50 55.979 57.466 -1.487 1
1 544 . 16 1 1 A 50 50 LYS CB C 50 32.822 29.487 3.335 1
1 548 . 16 1 1 A 50 50 LYS N N 50 125.933 120.288 5.645 1
1 549 . 16 1 1 A 51 51 GLU H H 51 7.598 7.615 -0.017 1
1 550 . 16 1 1 A 51 51 GLU HA H 51 4.328 4.522 -0.194 1
1 553 . 16 1 1 A 51 51 GLU C C 51 172.975 174.697 -1.722 1
1 554 . 16 1 1 A 51 51 GLU CA C 51 55.074 55.144 -0.070 1
1 555 . 16 1 1 A 51 51 GLU CB C 51 32.633 32.838 -0.205 1
1 557 . 16 1 1 A 51 51 GLU N N 51 117.804 117.982 -0.178 1
1 558 . 16 1 1 A 52 52 ARG H H 52 8.383 8.447 -0.064 1
1 559 . 16 1 1 A 52 52 ARG CA C 52 53.279 54.603 -1.324 1
1 560 . 16 1 1 A 52 52 ARG CB C 52 26.615 30.012 -3.397 1
1 561 . 16 1 1 A 52 52 ARG N N 52 111.793 122.218 -10.425 1
1 562 . 16 1 1 A 53 53 PRO HA H 53 4.029 4.533 -0.504 1
1 569 . 16 1 1 A 53 53 PRO C C 53 177.018 177.030 -0.012 1
1 570 . 16 1 1 A 53 53 PRO CA C 53 65.474 64.296 1.178 1
1 571 . 16 1 1 A 53 53 PRO CB C 53 30.916 31.861 -0.945 1
1 574 . 16 1 1 A 53 53 PRO N N 53 111.793 138.661 -26.868 1
1 575 . 16 1 1 A 54 54 ASP H H 54 8.462 8.592 -0.130 1
1 576 . 16 1 1 A 54 54 ASP HA H 54 4.345 4.633 -0.288 1
1 579 . 16 1 1 A 54 54 ASP C C 54 176.493 177.542 -1.049 1
1 580 . 16 1 1 A 54 54 ASP CA C 54 54.982 54.435 0.547 1
1 581 . 16 1 1 A 54 54 ASP CB C 54 39.451 41.350 -1.899 1
1 582 . 16 1 1 A 54 54 ASP N N 54 113.848 117.714 -3.866 1
1 583 . 16 1 1 A 55 55 LEU H H 55 7.766 7.869 -0.103 1
1 584 . 16 1 1 A 55 55 LEU HA H 55 4.235 4.230 0.005 1
1 594 . 16 1 1 A 55 55 LEU C C 55 175.873 178.170 -2.297 1
1 595 . 16 1 1 A 55 55 LEU CA C 55 55.305 56.572 -1.267 1
1 596 . 16 1 1 A 55 55 LEU CB C 55 41.271 42.110 -0.839 1
1 600 . 16 1 1 A 55 55 LEU N N 55 117.721 117.061 0.660 1
1 601 . 16 1 1 A 56 56 LEU H H 56 7.630 7.634 -0.004 1
1 602 . 16 1 1 A 56 56 LEU HA H 56 4.552 4.514 0.038 1
1 612 . 16 1 1 A 56 56 LEU C C 56 175.341 177.156 -1.815 1
1 613 . 16 1 1 A 56 56 LEU CA C 56 55.516 55.364 0.152 1
1 614 . 16 1 1 A 56 56 LEU CB C 56 44.910 43.291 1.619 1
1 618 . 16 1 1 A 56 56 LEU N N 56 118.796 115.687 3.109 1
1 619 . 16 1 1 A 57 57 VAL H H 57 7.206 6.884 0.322 1
1 620 . 16 1 1 A 57 57 VAL HA H 57 5.048 4.401 0.647 1
1 628 . 16 1 1 A 57 57 VAL C C 57 175.020 176.093 -1.073 1
1 629 . 16 1 1 A 57 57 VAL CA C 57 58.550 62.121 -3.571 1
1 630 . 16 1 1 A 57 57 VAL CB C 57 35.049 32.569 2.480 1
1 633 . 16 1 1 A 57 57 VAL N N 57 106.872 120.202 -13.330 1
1 634 . 16 1 1 A 58 58 ASP H H 58 8.447 9.379 -0.932 1
1 635 . 16 1 1 A 58 58 ASP HA H 58 4.459 4.347 0.112 1
1 638 . 16 1 1 A 58 58 ASP C C 58 177.406 177.210 0.196 1
1 639 . 16 1 1 A 58 58 ASP CA C 58 53.130 56.970 -3.840 1
1 640 . 16 1 1 A 58 58 ASP CB C 58 40.985 41.322 -0.337 1
1 641 . 16 1 1 A 58 58 ASP N N 58 118.741 123.999 -5.258 1
1 642 . 16 1 1 A 59 59 GLN H H 59 8.883 8.001 0.882 1
1 643 . 16 1 1 A 59 59 GLN HA H 59 4.031 4.525 -0.494 1
1 648 . 16 1 1 A 59 59 GLN C C 59 177.499 176.798 0.701 1
1 649 . 16 1 1 A 59 59 GLN CA C 59 59.120 56.984 2.136 1
1 650 . 16 1 1 A 59 59 GLN CB C 59 28.389 31.616 -3.227 1
1 652 . 16 1 1 A 59 59 GLN N N 59 119.603 115.965 3.638 1
1 653 . 16 1 1 A 60 60 THR H H 60 8.060 8.106 -0.046 1
1 654 . 16 1 1 A 60 60 THR HA H 60 4.296 4.452 -0.156 1
1 659 . 16 1 1 A 60 60 THR C C 60 176.363 175.067 1.296 1
1 660 . 16 1 1 A 60 60 THR CA C 60 63.358 61.865 1.493 1
1 661 . 16 1 1 A 60 60 THR CB C 60 70.577 69.278 1.299 1
1 663 . 16 1 1 A 60 60 THR N N 60 109.323 108.358 0.965 1
1 664 . 16 1 1 A 61 61 GLY H H 61 8.001 7.972 0.029 1
1 665 . 16 1 1 A 61 61 GLY HA2 H 61 4.173 3.907 0.266 1
1 666 . 16 1 1 A 61 61 GLY HA3 H 61 3.610 3.912 -0.302 1
1 667 . 16 1 1 A 61 61 GLY C C 61 174.049 174.464 -0.415 1
1 668 . 16 1 1 A 61 61 GLY CA C 61 45.301 46.411 -1.110 1
1 669 . 16 1 1 A 61 61 GLY N N 61 109.323 110.141 -0.818 1
1 670 . 16 1 1 A 62 62 GLN H H 62 8.091 7.850 0.241 1
1 671 . 16 1 1 A 62 62 GLN HA H 62 4.172 4.517 -0.345 1
1 674 . 16 1 1 A 62 62 GLN C C 62 175.201 174.830 0.371 1
1 675 . 16 1 1 A 62 62 GLN CA C 62 56.474 56.926 -0.452 1
1 676 . 16 1 1 A 62 62 GLN CB C 62 30.618 30.945 -0.327 1
1 678 . 16 1 1 A 62 62 GLN N N 62 117.247 120.316 -3.069 1
1 679 . 16 1 1 A 63 63 THR H H 63 7.740 7.823 -0.083 1
1 680 . 16 1 1 A 63 63 THR HA H 63 4.624 4.808 -0.184 1
1 685 . 16 1 1 A 63 63 THR C C 63 172.622 172.502 0.120 1
1 686 . 16 1 1 A 63 63 THR CA C 63 59.718 59.307 0.411 1
1 687 . 16 1 1 A 63 63 THR CB C 63 70.832 71.346 -0.514 1
1 689 . 16 1 1 A 63 63 THR N N 63 113.860 112.321 1.539 1
1 690 . 16 1 1 A 64 64 LEU H H 64 8.364 8.901 -0.537 1
1 691 . 16 1 1 A 64 64 LEU HA H 64 4.324 5.200 -0.876 1
1 701 . 16 1 1 A 64 64 LEU C C 64 176.311 176.964 -0.653 1
1 702 . 16 1 1 A 64 64 LEU CA C 64 55.025 53.229 1.796 1
1 703 . 16 1 1 A 64 64 LEU CB C 64 43.871 44.112 -0.241 1
1 707 . 16 1 1 A 64 64 LEU N N 64 123.689 123.699 -0.010 1
1 708 . 16 1 1 A 65 65 ARG H H 65 8.192 8.973 -0.781 1
1 709 . 16 1 1 A 65 65 ARG C C 65 173.609 175.173 -1.564 1
1 710 . 16 1 1 A 65 65 ARG CA C 65 55.287 54.608 0.679 1
1 711 . 16 1 1 A 65 65 ARG CB C 65 29.681 30.573 -0.892 1
1 712 . 16 1 1 A 65 65 ARG N N 65 126.639 121.726 4.913 1
1 713 . 16 1 1 A 66 66 PRO HA H 66 4.390 4.281 0.109 1
1 720 . 16 1 1 A 66 66 PRO C C 66 177.030 177.401 -0.371 1
1 721 . 16 1 1 A 66 66 PRO CA C 66 63.719 63.707 0.012 1
1 722 . 16 1 1 A 66 66 PRO CB C 66 31.825 31.367 0.458 1
1 725 . 16 1 1 A 66 66 PRO N N 66 126.639 137.608 -10.969 1
1 726 . 16 1 1 A 67 67 GLY H H 67 8.744 8.929 -0.185 1
1 727 . 16 1 1 A 67 67 GLY HA2 H 67 4.232 4.011 0.221 1
1 728 . 16 1 1 A 67 67 GLY HA3 H 67 3.544 4.014 -0.470 1
1 729 . 16 1 1 A 67 67 GLY C C 67 174.319 174.802 -0.483 1
1 730 . 16 1 1 A 67 67 GLY CA C 67 44.818 45.453 -0.635 1
1 731 . 16 1 1 A 68 68 ILE H H 68 7.522 8.001 -0.479 1
1 732 . 16 1 1 A 68 68 ILE HA H 68 4.690 4.453 0.237 1
1 742 . 16 1 1 A 68 68 ILE C C 68 174.703 175.531 -0.828 1
1 743 . 16 1 1 A 68 68 ILE CA C 68 61.047 60.547 0.500 1
1 744 . 16 1 1 A 68 68 ILE CB C 68 38.090 38.780 -0.690 1
1 748 . 16 1 1 A 68 68 ILE N N 68 121.049 121.443 -0.394 1
1 749 . 16 1 1 A 69 69 LEU H H 69 9.207 9.467 -0.260 1
1 750 . 16 1 1 A 69 69 LEU HA H 69 4.449 5.017 -0.568 1
1 760 . 16 1 1 A 69 69 LEU C C 69 174.991 175.725 -0.734 1
1 761 . 16 1 1 A 69 69 LEU CA C 69 54.106 53.578 0.528 1
1 762 . 16 1 1 A 69 69 LEU CB C 69 43.588 43.885 -0.297 1
1 766 . 16 1 1 A 69 69 LEU N N 69 131.197 129.260 1.937 1
1 767 . 16 1 1 A 70 70 VAL H H 70 8.149 8.555 -0.406 1
1 768 . 16 1 1 A 70 70 VAL HA H 70 4.955 4.387 0.568 1
1 776 . 16 1 1 A 70 70 VAL C C 70 175.167 175.357 -0.190 1
1 777 . 16 1 1 A 70 70 VAL CA C 70 59.928 61.467 -1.539 1
1 778 . 16 1 1 A 70 70 VAL CB C 70 33.239 32.652 0.587 1
1 781 . 16 1 1 A 70 70 VAL N N 70 121.953 124.972 -3.019 1
1 782 . 16 1 1 A 71 71 LEU H H 71 8.881 7.933 0.948 1
1 783 . 16 1 1 A 71 71 LEU HA H 71 4.922 5.046 -0.124 1
1 793 . 16 1 1 A 71 71 LEU C C 71 176.487 175.870 0.617 1
1 794 . 16 1 1 A 71 71 LEU CA C 71 52.627 53.585 -0.958 1
1 795 . 16 1 1 A 71 71 LEU CB C 71 44.487 45.607 -1.120 1
1 799 . 16 1 1 A 71 71 LEU N N 71 126.071 125.400 0.671 1
1 800 . 16 1 1 A 72 72 VAL H H 72 9.048 8.584 0.464 1
1 801 . 16 1 1 A 72 72 VAL HA H 72 4.351 4.869 -0.518 1
1 809 . 16 1 1 A 72 72 VAL C C 72 176.078 175.794 0.284 1
1 810 . 16 1 1 A 72 72 VAL CA C 72 60.886 61.251 -0.365 1
1 811 . 16 1 1 A 72 72 VAL CB C 72 33.141 34.235 -1.094 1
1 814 . 16 1 1 A 72 72 VAL N N 72 120.969 123.583 -2.614 1
1 815 . 16 1 1 A 73 73 ASN H H 73 9.630 9.110 0.520 1
1 816 . 16 1 1 A 73 73 ASN HA H 73 4.335 4.406 -0.071 1
1 821 . 16 1 1 A 73 73 ASN C C 73 175.496 174.782 0.714 1
1 822 . 16 1 1 A 73 73 ASN CA C 73 54.736 54.635 0.101 1
1 823 . 16 1 1 A 73 73 ASN CB C 73 36.825 37.119 -0.294 1
1 824 . 16 1 1 A 73 73 ASN N N 73 129.082 127.245 1.837 1
1 825 . 16 1 1 A 74 74 SER H H 74 9.308 8.382 0.926 1
1 826 . 16 1 1 A 74 74 SER C C 74 172.584 174.976 -2.392 1
1 827 . 16 1 1 A 74 74 SER N N 74 106.084 110.393 -4.309 1
1 828 . 16 1 1 A 75 75 CYS H H 75 7.845 8.170 -0.325 1
1 829 . 16 1 1 A 75 75 CYS C C 75 176.045 174.628 1.417 1
1 830 . 16 1 1 A 75 75 CYS CA C 75 57.152 59.750 -2.598 1
1 831 . 16 1 1 A 75 75 CYS CB C 75 29.101 29.148 -0.047 1
1 832 . 16 1 1 A 75 75 CYS N N 75 120.460 118.036 2.424 1
1 833 . 16 1 1 A 76 76 ASP H H 76 8.766 7.468 1.298 1
1 834 . 16 1 1 A 76 76 ASP HA H 76 4.295 4.784 -0.489 1
1 837 . 16 1 1 A 76 76 ASP C C 76 177.713 175.061 2.652 1
1 838 . 16 1 1 A 76 76 ASP CA C 76 55.721 54.066 1.655 1
1 839 . 16 1 1 A 76 76 ASP CB C 76 41.513 44.226 -2.713 1
1 840 . 16 1 1 A 76 76 ASP N N 76 126.661 118.133 8.528 1
1 841 . 16 1 1 A 77 77 ALA H H 77 8.555 8.762 -0.207 1
1 842 . 16 1 1 A 77 77 ALA HA H 77 3.688 4.085 -0.397 1
1 846 . 16 1 1 A 77 77 ALA C C 77 180.149 178.653 1.496 1
1 847 . 16 1 1 A 77 77 ALA CA C 77 54.334 54.041 0.293 1
1 848 . 16 1 1 A 77 77 ALA CB C 77 18.453 18.757 -0.304 1
1 849 . 16 1 1 A 77 77 ALA N N 77 128.302 127.258 1.044 1
1 850 . 16 1 1 A 78 78 GLU H H 78 9.034 7.629 1.405 1
1 851 . 16 1 1 A 78 78 GLU HA H 78 3.763 4.175 -0.412 1
1 856 . 16 1 1 A 78 78 GLU C C 78 179.359 178.831 0.528 1
1 857 . 16 1 1 A 78 78 GLU CA C 78 59.569 59.018 0.551 1
1 858 . 16 1 1 A 78 78 GLU CB C 78 29.511 29.175 0.336 1
1 860 . 16 1 1 A 78 78 GLU N N 78 117.499 118.275 -0.776 1
1 861 . 16 1 1 A 79 79 VAL H H 79 7.753 7.872 -0.119 1
1 862 . 16 1 1 A 79 79 VAL HA H 79 3.927 3.657 0.270 1
1 870 . 16 1 1 A 79 79 VAL C C 79 177.408 178.330 -0.922 1
1 871 . 16 1 1 A 79 79 VAL CA C 79 64.439 66.506 -2.067 1
1 872 . 16 1 1 A 79 79 VAL CB C 79 31.904 31.541 0.363 1
1 875 . 16 1 1 A 79 79 VAL N N 79 115.536 120.752 -5.216 1
1 876 . 16 1 1 A 80 80 VAL H H 80 7.123 7.670 -0.547 1
1 877 . 16 1 1 A 80 80 VAL HA H 80 4.443 3.854 0.589 1
1 885 . 16 1 1 A 80 80 VAL C C 80 175.020 176.283 -1.263 1
1 886 . 16 1 1 A 80 80 VAL CA C 80 60.286 64.138 -3.852 1
1 887 . 16 1 1 A 80 80 VAL CB C 80 30.948 32.161 -1.213 1
1 890 . 16 1 1 A 80 80 VAL N N 80 109.738 115.556 -5.818 1
1 891 . 16 1 1 A 81 81 GLY H H 81 7.210 7.824 -0.614 1
1 892 . 16 1 1 A 81 81 GLY HA2 H 81 4.511 4.024 0.487 1
1 893 . 16 1 1 A 81 81 GLY HA3 H 81 3.664 4.049 -0.385 1
1 894 . 16 1 1 A 81 81 GLY C C 81 175.262 175.535 -0.273 1
1 895 . 16 1 1 A 81 81 GLY CA C 81 44.964 45.383 -0.419 1
1 896 . 16 1 1 A 81 81 GLY N N 81 106.697 110.599 -3.902 1
1 897 . 16 1 1 A 82 82 GLY H H 82 8.673 8.527 0.146 1
1 898 . 16 1 1 A 82 82 GLY HA2 H 82 4.022 4.009 0.013 1
1 899 . 16 1 1 A 82 82 GLY HA3 H 82 3.150 4.024 -0.874 1
1 900 . 16 1 1 A 82 82 GLY C C 82 174.547 173.865 0.682 1
1 901 . 16 1 1 A 82 82 GLY CA C 82 45.151 45.662 -0.511 1
1 902 . 16 1 1 A 82 82 GLY N N 82 111.931 108.980 2.951 1
1 903 . 16 1 1 A 83 83 MET H H 83 8.841 7.812 1.029 1
1 904 . 16 1 1 A 83 83 MET HA H 83 4.582 4.795 -0.213 1
1 909 . 16 1 1 A 83 83 MET C C 83 176.001 175.085 0.916 1
1 910 . 16 1 1 A 83 83 MET CA C 83 55.737 54.413 1.324 1
1 911 . 16 1 1 A 83 83 MET CB C 83 30.273 33.245 -2.972 1
1 913 . 16 1 1 A 83 83 MET N N 83 119.840 116.537 3.303 1
1 914 . 16 1 1 A 84 84 ASP H H 84 7.395 8.197 -0.802 1
1 915 . 16 1 1 A 84 84 ASP HA H 84 4.695 5.000 -0.305 1
1 918 . 16 1 1 A 84 84 ASP C C 84 176.694 175.070 1.624 1
1 919 . 16 1 1 A 84 84 ASP CA C 84 54.300 53.056 1.244 1
1 920 . 16 1 1 A 84 84 ASP CB C 84 41.551 41.688 -0.137 1
1 921 . 16 1 1 A 84 84 ASP N N 84 114.478 120.733 -6.255 1
1 922 . 16 1 1 A 85 85 TYR H H 85 7.930 7.931 -0.001 1
1 923 . 16 1 1 A 85 85 TYR HA H 85 4.148 4.713 -0.565 1
1 926 . 16 1 1 A 85 85 TYR C C 85 173.845 175.180 -1.335 1
1 927 . 16 1 1 A 85 85 TYR CA C 85 59.520 56.930 2.590 1
1 928 . 16 1 1 A 85 85 TYR CB C 85 38.105 38.840 -0.735 1
1 929 . 16 1 1 A 85 85 TYR N N 85 123.769 121.827 1.942 1
1 930 . 16 1 1 A 86 86 VAL H H 86 7.755 8.316 -0.561 1
1 931 . 16 1 1 A 86 86 VAL HA H 86 3.402 3.926 -0.524 1
1 939 . 16 1 1 A 86 86 VAL C C 86 173.896 175.352 -1.456 1
1 940 . 16 1 1 A 86 86 VAL CA C 86 62.779 61.966 0.813 1
1 941 . 16 1 1 A 86 86 VAL CB C 86 31.843 32.603 -0.760 1
1 944 . 16 1 1 A 86 86 VAL N N 86 130.130 124.997 5.133 1
1 945 . 16 1 1 A 87 87 LEU H H 87 7.069 8.473 -1.404 1
1 946 . 16 1 1 A 87 87 LEU HA H 87 3.833 4.297 -0.464 1
1 956 . 16 1 1 A 87 87 LEU C C 87 176.432 175.758 0.674 1
1 957 . 16 1 1 A 87 87 LEU CA C 87 55.977 54.415 1.562 1
1 958 . 16 1 1 A 87 87 LEU CB C 87 42.126 42.258 -0.132 1
1 962 . 16 1 1 A 87 87 LEU N N 87 121.577 125.630 -4.053 1
1 963 . 16 1 1 A 88 88 ASN H H 88 8.705 8.682 0.023 1
1 964 . 16 1 1 A 88 88 ASN HA H 88 4.717 4.955 -0.238 1
1 967 . 16 1 1 A 88 88 ASN C C 88 173.156 174.321 -1.165 1
1 968 . 16 1 1 A 88 88 ASN CA C 88 51.471 51.765 -0.294 1
1 969 . 16 1 1 A 88 88 ASN CB C 88 41.622 39.126 2.496 1
1 970 . 16 1 1 A 88 88 ASN N N 88 120.561 121.949 -1.388 1
1 971 . 16 1 1 A 89 89 ASP H H 89 8.482 8.126 0.356 1
1 972 . 16 1 1 A 89 89 ASP HA H 89 3.937 4.177 -0.240 1
1 975 . 16 1 1 A 89 89 ASP C C 89 178.751 176.505 2.246 1
1 976 . 16 1 1 A 89 89 ASP CA C 89 56.268 55.347 0.921 1
1 977 . 16 1 1 A 89 89 ASP CB C 89 40.380 39.789 0.591 1
1 978 . 16 1 1 A 89 89 ASP N N 89 122.084 117.632 4.452 1
1 979 . 16 1 1 A 90 90 GLY H H 90 9.334 7.750 1.584 1
1 980 . 16 1 1 A 90 90 GLY HA2 H 90 4.314 3.909 0.405 1
1 981 . 16 1 1 A 90 90 GLY HA3 H 90 3.619 3.972 -0.353 1
1 982 . 16 1 1 A 90 90 GLY C C 90 174.907 173.651 1.256 1
1 983 . 16 1 1 A 90 90 GLY CA C 90 45.076 45.464 -0.388 1
1 984 . 16 1 1 A 90 90 GLY N N 90 117.218 105.096 12.122 1
1 985 . 16 1 1 A 91 91 ASP H H 91 7.987 8.051 -0.064 1
1 986 . 16 1 1 A 91 91 ASP HA H 91 4.745 4.965 -0.220 1
1 989 . 16 1 1 A 91 91 ASP C C 91 175.436 174.800 0.636 1
1 990 . 16 1 1 A 91 91 ASP CA C 91 55.954 53.664 2.290 1
1 991 . 16 1 1 A 91 91 ASP CB C 91 41.876 41.398 0.478 1
1 992 . 16 1 1 A 91 91 ASP N N 91 122.336 121.739 0.597 1
1 993 . 16 1 1 A 92 92 THR H H 92 8.227 8.591 -0.364 1
1 994 . 16 1 1 A 92 92 THR HA H 92 5.093 4.539 0.554 1
1 999 . 16 1 1 A 92 92 THR C C 92 173.702 173.776 -0.074 1
1 1000 . 16 1 1 A 92 92 THR CA C 92 61.477 62.757 -1.280 1
1 1001 . 16 1 1 A 92 92 THR CB C 92 70.032 69.564 0.468 1
1 1003 . 16 1 1 A 92 92 THR N N 92 115.456 122.763 -7.307 1
1 1004 . 16 1 1 A 93 93 VAL H H 93 9.039 8.900 0.139 1
1 1005 . 16 1 1 A 93 93 VAL HA H 93 4.731 5.035 -0.304 1
1 1013 . 16 1 1 A 93 93 VAL C C 93 173.391 173.025 0.366 1
1 1014 . 16 1 1 A 93 93 VAL CA C 93 59.984 60.209 -0.225 1
1 1015 . 16 1 1 A 93 93 VAL CB C 93 33.978 35.401 -1.423 1
1 1018 . 16 1 1 A 93 93 VAL N N 93 129.109 124.935 4.174 1
1 1019 . 16 1 1 A 94 94 GLU H H 94 9.012 8.439 0.573 1
1 1020 . 16 1 1 A 94 94 GLU HA H 94 4.941 4.798 0.143 1
1 1025 . 16 1 1 A 94 94 GLU C C 94 173.669 175.407 -1.738 1
1 1026 . 16 1 1 A 94 94 GLU CA C 94 53.577 54.286 -0.709 1
1 1027 . 16 1 1 A 94 94 GLU CB C 94 32.853 33.673 -0.820 1
1 1029 . 16 1 1 A 94 94 GLU N N 94 126.881 126.941 -0.060 1
1 1030 . 16 1 1 A 95 95 PHE H H 95 9.012 8.407 0.605 1
1 1031 . 16 1 1 A 95 95 PHE HA H 95 4.941 5.076 -0.135 1
1 1034 . 16 1 1 A 95 95 PHE C C 95 174.687 174.617 0.070 1
1 1035 . 16 1 1 A 95 95 PHE CA C 95 56.843 56.537 0.306 1
1 1036 . 16 1 1 A 95 95 PHE CB C 95 40.889 41.004 -0.115 1
1 1037 . 16 1 1 A 95 95 PHE N N 95 122.718 118.604 4.114 1
1 1038 . 16 1 1 A 96 96 ILE H H 96 9.292 8.748 0.544 1
1 1039 . 16 1 1 A 96 96 ILE HA H 96 4.573 5.150 -0.577 1
1 1049 . 16 1 1 A 96 96 ILE C C 96 175.897 175.178 0.719 1
1 1050 . 16 1 1 A 96 96 ILE CA C 96 59.748 60.406 -0.658 1
1 1051 . 16 1 1 A 96 96 ILE CB C 96 40.938 39.465 1.473 1
1 1055 . 16 1 1 A 96 96 ILE N N 96 123.112 124.779 -1.667 1
1 1056 . 16 1 1 A 97 97 SER H H 97 8.245 8.428 -0.183 1
1 1057 . 16 1 1 A 97 97 SER HA H 97 4.800 4.658 0.142 1
1 1060 . 16 1 1 A 97 97 SER C C 97 175.130 174.680 0.450 1
1 1061 . 16 1 1 A 97 97 SER CA C 97 58.154 58.688 -0.534 1
1 1062 . 16 1 1 A 97 97 SER CB C 97 63.137 63.613 -0.476 1
1 1063 . 16 1 1 A 97 97 SER N N 97 121.343 122.596 -1.253 1
1 1064 . 16 1 1 A 98 98 THR H H 98 8.181 9.013 -0.832 1
1 1065 . 16 1 1 A 98 98 THR HA H 98 4.549 4.612 -0.063 1
1 1070 . 16 1 1 A 98 98 THR C C 98 174.729 174.101 0.628 1
1 1071 . 16 1 1 A 98 98 THR CA C 98 61.603 62.476 -0.873 1
1 1072 . 16 1 1 A 98 98 THR CB C 98 69.890 70.096 -0.206 1
1 1074 . 16 1 1 A 98 98 THR N N 98 116.451 117.356 -0.905 1
1 1075 . 16 1 1 A 99 99 LEU H H 99 8.033 7.222 0.811 1
1 1076 . 16 1 1 A 99 99 LEU HA H 99 4.234 4.490 -0.256 1
1 1086 . 16 1 1 A 99 99 LEU C C 99 177.349 175.016 2.333 1
1 1087 . 16 1 1 A 99 99 LEU CA C 99 55.517 54.026 1.491 1
1 1088 . 16 1 1 A 99 99 LEU CB C 99 41.996 41.260 0.736 1
1 1092 . 16 1 1 A 99 99 LEU N N 99 122.869 122.393 0.476 1
1 1093 . 16 1 1 A 100 100 HIS H H 100 8.558 8.591 -0.033 1
1 1094 . 16 1 1 A 100 100 HIS HA H 100 4.460 5.019 -0.559 1
1 1097 . 16 1 1 A 100 100 HIS C C 100 175.718 175.644 0.074 1
1 1098 . 16 1 1 A 100 100 HIS CA C 100 56.096 54.621 1.475 1
1 1099 . 16 1 1 A 100 100 HIS CB C 100 29.709 32.513 -2.804 1
1 1100 . 16 1 1 A 100 100 HIS N N 100 120.437 119.118 1.319 1
1 1101 . 16 1 1 A 101 101 GLY H H 101 8.477 8.749 -0.272 1
1 1102 . 16 1 1 A 101 101 GLY HA2 H 101 3.888 3.677 0.211 1
1 1103 . 16 1 1 A 101 101 GLY HA3 H 101 3.888 3.759 0.129 1
1 1104 . 16 1 1 A 101 101 GLY C C 101 174.614 175.064 -0.450 1
1 1105 . 16 1 1 A 101 101 GLY CA C 101 45.529 47.126 -1.597 1
1 1106 . 16 1 1 A 101 101 GLY N N 101 110.340 109.540 0.800 1
1 7 . 17 1 1 A 2 2 SER H H 2 8.206 9.033 -0.827 1
1 8 . 17 1 1 A 2 2 SER N N 2 126.498 119.085 7.413 1
1 9 . 17 1 1 A 3 3 ASN HA H 3 5.166 5.186 -0.020 1
1 12 . 17 1 1 A 3 3 ASN C C 3 175.527 173.259 2.268 1
1 13 . 17 1 1 A 3 3 ASN CA C 3 51.466 51.869 -0.403 1
1 14 . 17 1 1 A 3 3 ASN CB C 3 39.931 41.592 -1.661 1
1 15 . 17 1 1 A 4 4 HIS H H 4 8.859 8.879 -0.020 1
1 16 . 17 1 1 A 4 4 HIS HA H 4 4.165 5.160 -0.995 1
1 19 . 17 1 1 A 4 4 HIS C C 4 175.897 173.820 2.077 1
1 20 . 17 1 1 A 4 4 HIS CA C 4 56.644 54.053 2.591 1
1 21 . 17 1 1 A 4 4 HIS CB C 4 30.122 31.233 -1.111 1
1 22 . 17 1 1 A 4 4 HIS N N 4 120.656 123.183 -2.527 1
1 23 . 17 1 1 A 5 5 ASN H H 5 8.263 8.654 -0.391 1
1 24 . 17 1 1 A 5 5 ASN HA H 5 4.274 4.894 -0.620 1
1 27 . 17 1 1 A 5 5 ASN C C 5 177.939 173.648 4.291 1
1 28 . 17 1 1 A 5 5 ASN CA C 5 57.261 51.757 5.504 1
1 29 . 17 1 1 A 5 5 ASN CB C 5 38.232 42.512 -4.280 1
1 30 . 17 1 1 A 5 5 ASN N N 5 121.699 123.858 -2.159 1
1 31 . 17 1 1 A 6 6 HIS H H 6 9.675 8.749 0.926 1
1 32 . 17 1 1 A 6 6 HIS HA H 6 5.261 4.586 0.675 1
1 35 . 17 1 1 A 6 6 HIS C C 6 171.876 174.136 -2.260 1
1 36 . 17 1 1 A 6 6 HIS CA C 6 56.016 56.607 -0.591 1
1 37 . 17 1 1 A 6 6 HIS CB C 6 31.324 28.529 2.795 1
1 38 . 17 1 1 A 6 6 HIS N N 6 117.245 114.688 2.557 1
1 39 . 17 1 1 A 7 7 ILE H H 7 7.753 8.905 -1.152 1
1 40 . 17 1 1 A 7 7 ILE HA H 7 4.442 4.513 -0.071 1
1 50 . 17 1 1 A 7 7 ILE C C 7 174.518 175.388 -0.870 1
1 51 . 17 1 1 A 7 7 ILE CA C 7 57.922 61.156 -3.234 1
1 52 . 17 1 1 A 7 7 ILE CB C 7 39.790 38.155 1.635 1
1 56 . 17 1 1 A 7 7 ILE N N 7 126.114 124.895 1.219 1
1 57 . 17 1 1 A 8 8 THR H H 8 8.238 8.939 -0.701 1
1 58 . 17 1 1 A 8 8 THR HA H 8 4.733 4.844 -0.111 1
1 63 . 17 1 1 A 8 8 THR C C 8 172.672 172.737 -0.065 1
1 64 . 17 1 1 A 8 8 THR CA C 8 62.203 62.443 -0.240 1
1 65 . 17 1 1 A 8 8 THR CB C 8 70.202 68.459 1.743 1
1 67 . 17 1 1 A 8 8 THR N N 8 123.879 123.449 0.430 1
1 68 . 17 1 1 A 9 9 VAL H H 9 8.717 8.939 -0.222 1
1 69 . 17 1 1 A 9 9 VAL HA H 9 5.165 4.779 0.386 1
1 77 . 17 1 1 A 9 9 VAL C C 9 173.545 174.659 -1.114 1
1 78 . 17 1 1 A 9 9 VAL CA C 9 59.279 60.024 -0.745 1
1 79 . 17 1 1 A 9 9 VAL CB C 9 33.495 33.466 0.029 1
1 82 . 17 1 1 A 9 9 VAL N N 9 124.808 126.861 -2.053 1
1 83 . 17 1 1 A 10 10 GLN H H 10 8.863 8.494 0.369 1
1 84 . 17 1 1 A 10 10 GLN HA H 10 4.841 5.189 -0.348 1
1 87 . 17 1 1 A 10 10 GLN C C 10 173.774 174.086 -0.312 1
1 88 . 17 1 1 A 10 10 GLN CA C 10 53.092 53.561 -0.469 1
1 89 . 17 1 1 A 10 10 GLN CB C 10 32.226 32.611 -0.385 1
1 91 . 17 1 1 A 10 10 GLN N N 10 123.709 126.136 -2.427 1
1 92 . 17 1 1 A 11 11 PHE H H 11 8.252 8.734 -0.482 1
1 93 . 17 1 1 A 11 11 PHE HA H 11 5.661 5.375 0.286 1
1 96 . 17 1 1 A 11 11 PHE C C 11 175.180 175.337 -0.157 1
1 97 . 17 1 1 A 11 11 PHE CA C 11 55.799 56.849 -1.050 1
1 98 . 17 1 1 A 11 11 PHE CB C 11 43.197 43.271 -0.074 1
1 99 . 17 1 1 A 11 11 PHE N N 11 119.002 117.226 1.776 1
1 100 . 17 1 1 A 12 12 ALA H H 12 8.989 8.992 -0.003 1
1 101 . 17 1 1 A 12 12 ALA HA H 12 4.971 4.901 0.070 1
1 105 . 17 1 1 A 12 12 ALA C C 12 179.413 178.029 1.384 1
1 106 . 17 1 1 A 12 12 ALA CA C 12 51.675 50.810 0.865 1
1 107 . 17 1 1 A 12 12 ALA CB C 12 23.716 21.560 2.156 1
1 108 . 17 1 1 A 12 12 ALA N N 12 123.388 123.223 0.165 1
1 109 . 17 1 1 A 13 13 GLY H H 13 9.188 8.631 0.557 1
1 110 . 17 1 1 A 13 13 GLY HA2 H 13 4.477 3.748 0.729 1
1 111 . 17 1 1 A 13 13 GLY HA3 H 13 3.937 3.757 0.180 1
1 112 . 17 1 1 A 13 13 GLY C C 13 173.600 175.409 -1.809 1
1 113 . 17 1 1 A 13 13 GLY CA C 13 46.252 46.991 -0.739 1
1 114 . 17 1 1 A 13 13 GLY N N 13 110.134 106.648 3.486 1
1 115 . 17 1 1 A 14 14 GLY H H 14 9.510 8.722 0.788 1
1 116 . 17 1 1 A 14 14 GLY HA2 H 14 4.600 4.038 0.562 1
1 117 . 17 1 1 A 14 14 GLY HA3 H 14 3.453 4.050 -0.597 1
1 118 . 17 1 1 A 14 14 GLY C C 14 177.136 175.204 1.932 1
1 119 . 17 1 1 A 14 14 GLY CA C 14 44.792 45.255 -0.463 1
1 120 . 17 1 1 A 14 14 GLY N N 14 109.966 114.711 -4.745 1
1 121 . 17 1 1 A 15 15 CYS H H 15 7.748 8.298 -0.550 1
1 122 . 17 1 1 A 15 15 CYS HA H 15 3.883 4.498 -0.615 1
1 125 . 17 1 1 A 15 15 CYS C C 15 175.011 176.843 -1.832 1
1 126 . 17 1 1 A 15 15 CYS CA C 15 62.034 61.105 0.929 1
1 127 . 17 1 1 A 15 15 CYS N N 15 121.082 119.931 1.151 1
1 128 . 17 1 1 A 16 16 GLU H H 16 7.837 8.292 -0.455 1
1 129 . 17 1 1 A 16 16 GLU HA H 16 4.009 3.841 0.168 1
1 134 . 17 1 1 A 16 16 GLU C C 16 178.419 177.441 0.978 1
1 135 . 17 1 1 A 16 16 GLU CA C 16 58.599 58.815 -0.216 1
1 136 . 17 1 1 A 16 16 GLU CB C 16 27.745 28.329 -0.584 1
1 138 . 17 1 1 A 16 16 GLU N N 16 120.416 118.390 2.026 1
1 139 . 17 1 1 A 17 17 LEU H H 17 7.626 7.930 -0.304 1
1 140 . 17 1 1 A 17 17 LEU HA H 17 3.927 4.114 -0.187 1
1 150 . 17 1 1 A 17 17 LEU C C 17 178.349 177.613 0.736 1
1 151 . 17 1 1 A 17 17 LEU CA C 17 57.105 56.586 0.519 1
1 152 . 17 1 1 A 17 17 LEU CB C 17 40.474 41.569 -1.095 1
1 156 . 17 1 1 A 17 17 LEU N N 17 122.648 121.083 1.565 1
1 157 . 17 1 1 A 18 18 LEU H H 18 7.488 7.613 -0.125 1
1 158 . 17 1 1 A 18 18 LEU HA H 18 4.143 4.271 -0.128 1
1 168 . 17 1 1 A 18 18 LEU C C 18 175.859 176.617 -0.758 1
1 169 . 17 1 1 A 18 18 LEU CA C 18 55.729 54.907 0.822 1
1 170 . 17 1 1 A 18 18 LEU CB C 18 40.532 41.531 -0.999 1
1 174 . 17 1 1 A 18 18 LEU N N 18 117.565 117.673 -0.108 1
1 175 . 17 1 1 A 19 19 PHE H H 19 7.164 7.538 -0.374 1
1 176 . 17 1 1 A 19 19 PHE HA H 19 4.395 4.770 -0.375 1
1 179 . 17 1 1 A 19 19 PHE C C 19 176.362 175.430 0.932 1
1 180 . 17 1 1 A 19 19 PHE CA C 19 56.373 58.850 -2.477 1
1 181 . 17 1 1 A 19 19 PHE CB C 19 39.143 40.787 -1.644 1
1 182 . 17 1 1 A 19 19 PHE N N 19 117.899 120.216 -2.317 1
1 183 . 17 1 1 A 20 20 ALA H H 20 8.780 7.403 1.377 1
1 184 . 17 1 1 A 20 20 ALA HA H 20 4.087 4.371 -0.284 1
1 188 . 17 1 1 A 20 20 ALA C C 20 176.512 177.251 -0.739 1
1 189 . 17 1 1 A 20 20 ALA CA C 20 53.279 51.186 2.093 1
1 190 . 17 1 1 A 20 20 ALA CB C 20 17.047 19.036 -1.989 1
1 191 . 17 1 1 A 20 20 ALA N N 20 123.417 119.534 3.883 1
1 192 . 17 1 1 A 21 21 LYS H H 21 7.825 7.909 -0.084 1
1 193 . 17 1 1 A 21 21 LYS HA H 21 3.181 3.816 -0.635 1
1 202 . 17 1 1 A 21 21 LYS C C 21 175.295 175.629 -0.334 1
1 203 . 17 1 1 A 21 21 LYS CA C 21 58.666 57.277 1.389 1
1 204 . 17 1 1 A 21 21 LYS CB C 21 29.784 29.650 0.134 1
1 208 . 17 1 1 A 21 21 LYS N N 21 108.448 112.420 -3.972 1
1 209 . 17 1 1 A 22 22 GLN H H 22 7.611 7.912 -0.301 1
1 210 . 17 1 1 A 22 22 GLN HA H 22 4.429 4.491 -0.062 1
1 215 . 17 1 1 A 22 22 GLN C C 22 174.967 176.340 -1.373 1
1 216 . 17 1 1 A 22 22 GLN CA C 22 56.105 55.931 0.174 1
1 217 . 17 1 1 A 22 22 GLN CB C 22 29.548 30.640 -1.092 1
1 219 . 17 1 1 A 22 22 GLN N N 22 120.482 117.859 2.623 1
1 220 . 17 1 1 A 23 23 THR H H 23 8.201 8.800 -0.599 1
1 221 . 17 1 1 A 23 23 THR HA H 23 4.491 4.588 -0.097 1
1 226 . 17 1 1 A 23 23 THR C C 23 175.012 175.078 -0.066 1
1 227 . 17 1 1 A 23 23 THR CA C 23 62.436 62.220 0.216 1
1 228 . 17 1 1 A 23 23 THR CB C 23 69.501 69.527 -0.026 1
1 229 . 17 1 1 A 23 23 THR N N 23 110.354 112.918 -2.564 1
1 230 . 17 1 1 A 24 24 SER H H 24 7.751 8.126 -0.375 1
1 231 . 17 1 1 A 24 24 SER HA H 24 5.136 5.037 0.099 1
1 234 . 17 1 1 A 24 24 SER C C 24 172.623 173.118 -0.495 1
1 235 . 17 1 1 A 24 24 SER CA C 24 57.192 56.770 0.422 1
1 236 . 17 1 1 A 24 24 SER CB C 24 65.459 66.563 -1.104 1
1 237 . 17 1 1 A 24 24 SER N N 24 114.575 114.524 0.051 1
1 238 . 17 1 1 A 25 25 LEU H H 25 9.272 8.746 0.526 1
1 239 . 17 1 1 A 25 25 LEU HA H 25 4.531 5.064 -0.533 1
1 249 . 17 1 1 A 25 25 LEU C C 25 174.436 175.709 -1.273 1
1 250 . 17 1 1 A 25 25 LEU CA C 25 53.929 53.697 0.232 1
1 251 . 17 1 1 A 25 25 LEU CB C 25 45.561 46.539 -0.978 1
1 255 . 17 1 1 A 25 25 LEU N N 25 124.288 121.733 2.555 1
1 256 . 17 1 1 A 26 26 GLN H H 26 8.573 8.798 -0.225 1
1 257 . 17 1 1 A 26 26 GLN HA H 26 4.607 5.374 -0.767 1
1 262 . 17 1 1 A 26 26 GLN C C 26 173.250 174.726 -1.476 1
1 263 . 17 1 1 A 26 26 GLN CA C 26 54.207 54.568 -0.361 1
1 264 . 17 1 1 A 26 26 GLN CB C 26 27.813 30.419 -2.606 1
1 266 . 17 1 1 A 26 26 GLN N N 26 122.971 121.098 1.873 1
1 267 . 17 1 1 A 27 27 LEU H H 27 8.753 8.540 0.213 1
1 268 . 17 1 1 A 27 27 LEU HA H 27 4.414 4.946 -0.532 1
1 272 . 17 1 1 A 27 27 LEU C C 27 175.313 175.655 -0.342 1
1 273 . 17 1 1 A 27 27 LEU CA C 27 53.132 53.397 -0.265 1
1 274 . 17 1 1 A 27 27 LEU CB C 27 40.489 44.275 -3.786 1
1 278 . 17 1 1 A 27 27 LEU N N 27 126.504 125.971 0.533 1
1 279 . 17 1 1 A 28 28 ASP H H 28 8.568 8.879 -0.311 1
1 280 . 17 1 1 A 28 28 ASP HA H 28 4.414 5.070 -0.656 1
1 283 . 17 1 1 A 28 28 ASP C C 28 176.147 175.750 0.397 1
1 284 . 17 1 1 A 28 28 ASP CA C 28 53.407 52.896 0.511 1
1 285 . 17 1 1 A 28 28 ASP CB C 28 40.535 41.105 -0.570 1
1 286 . 17 1 1 A 28 28 ASP N N 28 112.805 123.684 -10.879 1
1 287 . 17 1 1 A 29 29 GLY H H 29 7.770 8.834 -1.064 1
1 288 . 17 1 1 A 29 29 GLY HA2 H 29 3.942 4.130 -0.188 1
1 289 . 17 1 1 A 29 29 GLY HA3 H 29 3.806 4.132 -0.326 1
1 290 . 17 1 1 A 29 29 GLY C C 29 174.455 174.704 -0.249 1
1 291 . 17 1 1 A 29 29 GLY CA C 29 47.297 45.059 2.238 1
1 292 . 17 1 1 A 29 29 GLY N N 29 129.863 112.011 17.852 1
1 293 . 17 1 1 A 30 30 VAL H H 30 7.792 8.529 -0.737 1
1 294 . 17 1 1 A 30 30 VAL HA H 30 4.391 3.819 0.572 1
1 302 . 17 1 1 A 30 30 VAL C C 30 174.315 176.765 -2.450 1
1 303 . 17 1 1 A 30 30 VAL CA C 30 62.180 65.745 -3.565 1
1 304 . 17 1 1 A 30 30 VAL CB C 30 35.931 32.288 3.643 1
1 307 . 17 1 1 A 30 30 VAL N N 30 112.711 119.977 -7.266 1
1 308 . 17 1 1 A 31 31 VAL H H 31 8.748 7.939 0.809 1
1 309 . 17 1 1 A 31 31 VAL C C 31 172.882 173.921 -1.039 1
1 310 . 17 1 1 A 31 31 VAL CA C 31 62.284 59.810 2.474 1
1 311 . 17 1 1 A 31 31 VAL CB C 31 33.804 32.397 1.407 1
1 312 . 17 1 1 A 31 31 VAL N N 31 123.316 118.347 4.969 1
1 313 . 17 1 1 A 32 32 PRO HA H 32 5.038 4.514 0.524 1
1 320 . 17 1 1 A 32 32 PRO C C 32 179.633 177.161 2.472 1
1 321 . 17 1 1 A 32 32 PRO CA C 32 63.073 63.755 -0.682 1
1 322 . 17 1 1 A 32 32 PRO CB C 32 32.421 32.654 -0.233 1
1 325 . 17 1 1 A 33 33 THR H H 33 8.739 7.903 0.836 1
1 326 . 17 1 1 A 33 33 THR HA H 33 3.896 3.961 -0.065 1
1 331 . 17 1 1 A 33 33 THR C C 33 174.735 175.836 -1.101 1
1 332 . 17 1 1 A 33 33 THR CA C 33 64.329 66.048 -1.719 1
1 333 . 17 1 1 A 33 33 THR CB C 33 67.929 68.133 -0.204 1
1 335 . 17 1 1 A 33 33 THR N N 33 120.858 113.509 7.349 1
1 336 . 17 1 1 A 34 34 GLY H H 34 8.303 7.963 0.340 1
1 337 . 17 1 1 A 34 34 GLY HA2 H 34 4.359 3.828 0.531 1
1 338 . 17 1 1 A 34 34 GLY HA3 H 34 3.451 3.837 -0.386 1
1 339 . 17 1 1 A 34 34 GLY C C 34 174.037 173.384 0.653 1
1 340 . 17 1 1 A 34 34 GLY CA C 34 45.067 46.338 -1.271 1
1 341 . 17 1 1 A 34 34 GLY N N 34 114.645 108.681 5.964 1
1 342 . 17 1 1 A 35 35 THR H H 35 7.405 7.287 0.118 1
1 343 . 17 1 1 A 35 35 THR HA H 35 4.073 4.901 -0.828 1
1 348 . 17 1 1 A 35 35 THR C C 35 174.540 173.818 0.722 1
1 349 . 17 1 1 A 35 35 THR CA C 35 65.137 61.127 4.010 1
1 350 . 17 1 1 A 35 35 THR CB C 35 69.484 72.723 -3.239 1
1 352 . 17 1 1 A 35 35 THR N N 35 117.340 113.523 3.817 1
1 353 . 17 1 1 A 36 36 ASN H H 36 8.836 8.297 0.539 1
1 354 . 17 1 1 A 36 36 ASN HA H 36 5.686 4.989 0.697 1
1 357 . 17 1 1 A 36 36 ASN C C 36 176.512 175.860 0.652 1
1 358 . 17 1 1 A 36 36 ASN CA C 36 50.439 50.664 -0.225 1
1 359 . 17 1 1 A 36 36 ASN CB C 36 40.274 40.067 0.207 1
1 360 . 17 1 1 A 36 36 ASN N N 36 127.379 122.195 5.184 1
1 361 . 17 1 1 A 37 37 LEU H H 37 8.045 8.655 -0.610 1
1 362 . 17 1 1 A 37 37 LEU HA H 37 4.142 4.070 0.072 1
1 372 . 17 1 1 A 37 37 LEU C C 37 178.931 178.087 0.844 1
1 373 . 17 1 1 A 37 37 LEU CA C 37 59.274 58.336 0.938 1
1 374 . 17 1 1 A 37 37 LEU CB C 37 42.159 41.354 0.805 1
1 378 . 17 1 1 A 37 37 LEU N N 37 119.164 120.072 -0.908 1
1 379 . 17 1 1 A 38 38 ASN H H 38 7.959 8.296 -0.337 1
1 380 . 17 1 1 A 38 38 ASN HA H 38 4.502 4.386 0.116 1
1 383 . 17 1 1 A 38 38 ASN C C 38 178.691 178.076 0.615 1
1 384 . 17 1 1 A 38 38 ASN CA C 38 57.080 56.495 0.585 1
1 385 . 17 1 1 A 38 38 ASN CB C 38 38.367 38.856 -0.489 1
1 386 . 17 1 1 A 38 38 ASN N N 38 118.522 117.345 1.177 1
1 387 . 17 1 1 A 39 39 GLY H H 39 8.828 8.047 0.781 1
1 388 . 17 1 1 A 39 39 GLY HA2 H 39 4.088 3.676 0.412 1
1 389 . 17 1 1 A 39 39 GLY HA3 H 39 3.911 3.680 0.231 1
1 390 . 17 1 1 A 39 39 GLY C C 39 177.320 175.576 1.744 1
1 391 . 17 1 1 A 39 39 GLY CA C 39 46.879 47.120 -0.241 1
1 392 . 17 1 1 A 39 39 GLY N N 39 109.615 106.968 2.647 1
1 393 . 17 1 1 A 40 40 LEU H H 40 8.829 8.089 0.740 1
1 394 . 17 1 1 A 40 40 LEU HA H 40 4.504 4.116 0.388 1
1 404 . 17 1 1 A 40 40 LEU C C 40 177.788 178.408 -0.620 1
1 405 . 17 1 1 A 40 40 LEU CA C 40 57.770 57.538 0.232 1
1 406 . 17 1 1 A 40 40 LEU CB C 40 41.713 41.647 0.066 1
1 410 . 17 1 1 A 40 40 LEU N N 40 125.884 123.209 2.675 1
1 411 . 17 1 1 A 41 41 VAL H H 41 8.333 8.403 -0.070 1
1 412 . 17 1 1 A 41 41 VAL HA H 41 3.328 3.866 -0.538 1
1 420 . 17 1 1 A 41 41 VAL C C 41 177.556 177.740 -0.184 1
1 421 . 17 1 1 A 41 41 VAL CA C 41 67.977 65.433 2.544 1
1 422 . 17 1 1 A 41 41 VAL CB C 41 31.080 31.093 -0.013 1
1 425 . 17 1 1 A 41 41 VAL N N 41 120.213 116.957 3.256 1
1 426 . 17 1 1 A 42 42 GLN H H 42 7.672 7.959 -0.287 1
1 427 . 17 1 1 A 42 42 GLN HA H 42 3.866 3.959 -0.093 1
1 432 . 17 1 1 A 42 42 GLN C C 42 177.980 178.079 -0.099 1
1 433 . 17 1 1 A 42 42 GLN CA C 42 58.694 58.927 -0.233 1
1 434 . 17 1 1 A 42 42 GLN CB C 42 27.809 28.813 -1.004 1
1 436 . 17 1 1 A 42 42 GLN N N 42 116.386 121.793 -5.407 1
1 437 . 17 1 1 A 43 43 LEU H H 43 8.080 7.521 0.559 1
1 438 . 17 1 1 A 43 43 LEU HA H 43 4.225 4.146 0.079 1
1 448 . 17 1 1 A 43 43 LEU C C 43 179.999 178.498 1.501 1
1 449 . 17 1 1 A 43 43 LEU CA C 43 58.275 57.344 0.931 1
1 450 . 17 1 1 A 43 43 LEU CB C 43 43.046 41.226 1.820 1
1 454 . 17 1 1 A 43 43 LEU N N 43 122.204 120.683 1.521 1
1 455 . 17 1 1 A 44 44 LEU H H 44 8.810 8.111 0.699 1
1 456 . 17 1 1 A 44 44 LEU HA H 44 4.384 4.491 -0.107 1
1 466 . 17 1 1 A 44 44 LEU C C 44 179.311 178.958 0.353 1
1 467 . 17 1 1 A 44 44 LEU CA C 44 58.397 57.096 1.301 1
1 468 . 17 1 1 A 44 44 LEU CB C 44 41.553 42.601 -1.048 1
1 472 . 17 1 1 A 44 44 LEU N N 44 119.371 117.826 1.545 1
1 473 . 17 1 1 A 45 45 LYS H H 45 8.652 8.460 0.192 1
1 474 . 17 1 1 A 45 45 LYS HA H 45 3.678 4.168 -0.490 1
1 483 . 17 1 1 A 45 45 LYS C C 45 177.005 179.045 -2.040 1
1 484 . 17 1 1 A 45 45 LYS CA C 45 60.016 58.925 1.091 1
1 485 . 17 1 1 A 45 45 LYS CB C 45 32.411 32.333 0.078 1
1 489 . 17 1 1 A 45 45 LYS N N 45 120.434 119.842 0.592 1
1 490 . 17 1 1 A 46 46 THR H H 46 8.180 8.346 -0.166 1
1 491 . 17 1 1 A 46 46 THR HA H 46 4.027 4.096 -0.069 1
1 496 . 17 1 1 A 46 46 THR C C 46 176.217 175.642 0.575 1
1 497 . 17 1 1 A 46 46 THR CA C 46 65.173 65.538 -0.365 1
1 498 . 17 1 1 A 46 46 THR CB C 46 69.680 68.630 1.050 1
1 500 . 17 1 1 A 46 46 THR N N 46 109.149 115.443 -6.294 1
1 501 . 17 1 1 A 47 47 ASN H H 47 8.170 7.364 0.806 1
1 502 . 17 1 1 A 47 47 ASN HA H 47 4.785 4.541 0.244 1
1 505 . 17 1 1 A 47 47 ASN C C 47 175.267 174.901 0.366 1
1 506 . 17 1 1 A 47 47 ASN CA C 47 54.213 54.154 0.059 1
1 507 . 17 1 1 A 47 47 ASN CB C 47 40.712 39.760 0.952 1
1 508 . 17 1 1 A 47 47 ASN N N 47 116.045 117.356 -1.311 1
1 509 . 17 1 1 A 48 48 TYR H H 48 8.094 7.624 0.470 1
1 510 . 17 1 1 A 48 48 TYR HA H 48 4.695 4.896 -0.201 1
1 513 . 17 1 1 A 48 48 TYR C C 48 175.011 174.573 0.438 1
1 514 . 17 1 1 A 48 48 TYR CA C 48 60.273 56.891 3.382 1
1 515 . 17 1 1 A 48 48 TYR CB C 48 41.189 38.011 3.178 1
1 516 . 17 1 1 A 48 48 TYR N N 48 115.849 115.287 0.562 1
1 517 . 17 1 1 A 49 49 VAL H H 49 7.769 7.695 0.074 1
1 518 . 17 1 1 A 49 49 VAL HA H 49 3.715 4.779 -1.064 1
1 526 . 17 1 1 A 49 49 VAL C C 49 176.157 176.145 0.012 1
1 527 . 17 1 1 A 49 49 VAL CA C 49 63.454 60.374 3.080 1
1 528 . 17 1 1 A 49 49 VAL CB C 49 31.695 33.975 -2.280 1
1 531 . 17 1 1 A 49 49 VAL N N 49 120.510 121.950 -1.440 1
1 532 . 17 1 1 A 50 50 LYS H H 50 8.334 9.103 -0.769 1
1 533 . 17 1 1 A 50 50 LYS HA H 50 4.242 4.570 -0.328 1
1 542 . 17 1 1 A 50 50 LYS C C 50 176.562 175.491 1.071 1
1 543 . 17 1 1 A 50 50 LYS CA C 50 55.979 56.134 -0.155 1
1 544 . 17 1 1 A 50 50 LYS CB C 50 32.822 32.761 0.061 1
1 548 . 17 1 1 A 50 50 LYS N N 50 125.933 128.302 -2.369 1
1 549 . 17 1 1 A 51 51 GLU H H 51 7.598 7.723 -0.125 1
1 550 . 17 1 1 A 51 51 GLU HA H 51 4.328 4.617 -0.289 1
1 553 . 17 1 1 A 51 51 GLU C C 51 172.975 174.881 -1.906 1
1 554 . 17 1 1 A 51 51 GLU CA C 51 55.074 55.387 -0.313 1
1 555 . 17 1 1 A 51 51 GLU CB C 51 32.633 33.441 -0.808 1
1 557 . 17 1 1 A 51 51 GLU N N 51 117.804 119.775 -1.971 1
1 558 . 17 1 1 A 52 52 ARG H H 52 8.383 8.471 -0.088 1
1 559 . 17 1 1 A 52 52 ARG CA C 52 53.279 54.330 -1.051 1
1 560 . 17 1 1 A 52 52 ARG CB C 52 26.615 30.503 -3.888 1
1 561 . 17 1 1 A 52 52 ARG N N 52 111.793 122.513 -10.720 1
1 562 . 17 1 1 A 53 53 PRO HA H 53 4.029 4.286 -0.257 1
1 569 . 17 1 1 A 53 53 PRO C C 53 177.018 177.237 -0.219 1
1 570 . 17 1 1 A 53 53 PRO CA C 53 65.474 65.004 0.470 1
1 571 . 17 1 1 A 53 53 PRO CB C 53 30.916 32.009 -1.093 1
1 574 . 17 1 1 A 53 53 PRO N N 53 111.793 140.687 -28.894 1
1 575 . 17 1 1 A 54 54 ASP H H 54 8.462 8.310 0.152 1
1 576 . 17 1 1 A 54 54 ASP HA H 54 4.345 4.730 -0.385 1
1 579 . 17 1 1 A 54 54 ASP C C 54 176.493 177.020 -0.527 1
1 580 . 17 1 1 A 54 54 ASP CA C 54 54.982 54.294 0.688 1
1 581 . 17 1 1 A 54 54 ASP CB C 54 39.451 40.943 -1.492 1
1 582 . 17 1 1 A 54 54 ASP N N 54 113.848 117.350 -3.502 1
1 583 . 17 1 1 A 55 55 LEU H H 55 7.766 7.914 -0.148 1
1 584 . 17 1 1 A 55 55 LEU HA H 55 4.235 4.088 0.147 1
1 594 . 17 1 1 A 55 55 LEU C C 55 175.873 178.403 -2.530 1
1 595 . 17 1 1 A 55 55 LEU CA C 55 55.305 57.118 -1.813 1
1 596 . 17 1 1 A 55 55 LEU CB C 55 41.271 41.941 -0.670 1
1 600 . 17 1 1 A 55 55 LEU N N 55 117.721 118.162 -0.441 1
1 601 . 17 1 1 A 56 56 LEU H H 56 7.630 7.720 -0.090 1
1 602 . 17 1 1 A 56 56 LEU HA H 56 4.552 4.416 0.136 1
1 612 . 17 1 1 A 56 56 LEU C C 56 175.341 177.068 -1.727 1
1 613 . 17 1 1 A 56 56 LEU CA C 56 55.516 56.268 -0.752 1
1 614 . 17 1 1 A 56 56 LEU CB C 56 44.910 42.858 2.052 1
1 618 . 17 1 1 A 56 56 LEU N N 56 118.796 116.695 2.101 1
1 619 . 17 1 1 A 57 57 VAL H H 57 7.206 7.308 -0.102 1
1 620 . 17 1 1 A 57 57 VAL HA H 57 5.048 4.348 0.700 1
1 628 . 17 1 1 A 57 57 VAL C C 57 175.020 176.060 -1.040 1
1 629 . 17 1 1 A 57 57 VAL CA C 57 58.550 62.082 -3.532 1
1 630 . 17 1 1 A 57 57 VAL CB C 57 35.049 32.598 2.451 1
1 633 . 17 1 1 A 57 57 VAL N N 57 106.872 120.140 -13.268 1
1 634 . 17 1 1 A 58 58 ASP H H 58 8.447 9.332 -0.885 1
1 635 . 17 1 1 A 58 58 ASP HA H 58 4.459 4.341 0.118 1
1 638 . 17 1 1 A 58 58 ASP C C 58 177.406 177.067 0.339 1
1 639 . 17 1 1 A 58 58 ASP CA C 58 53.130 56.976 -3.846 1
1 640 . 17 1 1 A 58 58 ASP CB C 58 40.985 41.308 -0.323 1
1 641 . 17 1 1 A 58 58 ASP N N 58 118.741 123.952 -5.211 1
1 642 . 17 1 1 A 59 59 GLN H H 59 8.883 7.922 0.961 1
1 643 . 17 1 1 A 59 59 GLN HA H 59 4.031 4.519 -0.488 1
1 648 . 17 1 1 A 59 59 GLN C C 59 177.499 176.824 0.675 1
1 649 . 17 1 1 A 59 59 GLN CA C 59 59.120 57.023 2.097 1
1 650 . 17 1 1 A 59 59 GLN CB C 59 28.389 31.644 -3.255 1
1 652 . 17 1 1 A 59 59 GLN N N 59 119.603 115.366 4.237 1
1 653 . 17 1 1 A 60 60 THR H H 60 8.060 8.039 0.021 1
1 654 . 17 1 1 A 60 60 THR HA H 60 4.296 4.431 -0.135 1
1 659 . 17 1 1 A 60 60 THR C C 60 176.363 175.040 1.323 1
1 660 . 17 1 1 A 60 60 THR CA C 60 63.358 61.764 1.594 1
1 661 . 17 1 1 A 60 60 THR CB C 60 70.577 69.148 1.429 1
1 663 . 17 1 1 A 60 60 THR N N 60 109.323 108.333 0.990 1
1 664 . 17 1 1 A 61 61 GLY H H 61 8.001 7.906 0.095 1
1 665 . 17 1 1 A 61 61 GLY HA2 H 61 4.173 3.891 0.282 1
1 666 . 17 1 1 A 61 61 GLY HA3 H 61 3.610 3.892 -0.282 1
1 667 . 17 1 1 A 61 61 GLY C C 61 174.049 174.488 -0.439 1
1 668 . 17 1 1 A 61 61 GLY CA C 61 45.301 46.402 -1.101 1
1 669 . 17 1 1 A 61 61 GLY N N 61 109.323 110.056 -0.733 1
1 670 . 17 1 1 A 62 62 GLN H H 62 8.091 7.827 0.264 1
1 671 . 17 1 1 A 62 62 GLN HA H 62 4.172 4.377 -0.205 1
1 674 . 17 1 1 A 62 62 GLN C C 62 175.201 175.499 -0.298 1
1 675 . 17 1 1 A 62 62 GLN CA C 62 56.474 56.985 -0.511 1
1 676 . 17 1 1 A 62 62 GLN CB C 62 30.618 30.688 -0.070 1
1 678 . 17 1 1 A 62 62 GLN N N 62 117.247 120.365 -3.118 1
1 679 . 17 1 1 A 63 63 THR H H 63 7.740 7.894 -0.154 1
1 680 . 17 1 1 A 63 63 THR HA H 63 4.624 4.969 -0.345 1
1 685 . 17 1 1 A 63 63 THR C C 63 172.622 173.569 -0.947 1
1 686 . 17 1 1 A 63 63 THR CA C 63 59.718 59.955 -0.237 1
1 687 . 17 1 1 A 63 63 THR CB C 63 70.832 72.664 -1.832 1
1 689 . 17 1 1 A 63 63 THR N N 63 113.860 109.484 4.376 1
1 690 . 17 1 1 A 64 64 LEU H H 64 8.364 8.869 -0.505 1
1 691 . 17 1 1 A 64 64 LEU HA H 64 4.324 5.127 -0.803 1
1 701 . 17 1 1 A 64 64 LEU C C 64 176.311 176.624 -0.313 1
1 702 . 17 1 1 A 64 64 LEU CA C 64 55.025 53.241 1.784 1
1 703 . 17 1 1 A 64 64 LEU CB C 64 43.871 44.774 -0.903 1
1 707 . 17 1 1 A 64 64 LEU N N 64 123.689 120.923 2.766 1
1 708 . 17 1 1 A 65 65 ARG H H 65 8.192 9.064 -0.872 1
1 709 . 17 1 1 A 65 65 ARG C C 65 173.609 175.406 -1.797 1
1 710 . 17 1 1 A 65 65 ARG CA C 65 55.287 54.824 0.463 1
1 711 . 17 1 1 A 65 65 ARG CB C 65 29.681 30.413 -0.732 1
1 712 . 17 1 1 A 65 65 ARG N N 65 126.639 121.452 5.187 1
1 713 . 17 1 1 A 66 66 PRO HA H 66 4.390 4.279 0.111 1
1 720 . 17 1 1 A 66 66 PRO C C 66 177.030 177.381 -0.351 1
1 721 . 17 1 1 A 66 66 PRO CA C 66 63.719 63.766 -0.047 1
1 722 . 17 1 1 A 66 66 PRO CB C 66 31.825 31.462 0.363 1
1 725 . 17 1 1 A 66 66 PRO N N 66 126.639 137.915 -11.276 1
1 726 . 17 1 1 A 67 67 GLY H H 67 8.744 8.663 0.081 1
1 727 . 17 1 1 A 67 67 GLY HA2 H 67 4.232 3.950 0.282 1
1 728 . 17 1 1 A 67 67 GLY HA3 H 67 3.544 3.969 -0.425 1
1 729 . 17 1 1 A 67 67 GLY C C 67 174.319 174.741 -0.422 1
1 730 . 17 1 1 A 67 67 GLY CA C 67 44.818 45.365 -0.547 1
1 731 . 17 1 1 A 68 68 ILE H H 68 7.522 7.969 -0.447 1
1 732 . 17 1 1 A 68 68 ILE HA H 68 4.690 4.465 0.225 1
1 742 . 17 1 1 A 68 68 ILE C C 68 174.703 175.193 -0.490 1
1 743 . 17 1 1 A 68 68 ILE CA C 68 61.047 60.776 0.271 1
1 744 . 17 1 1 A 68 68 ILE CB C 68 38.090 38.141 -0.051 1
1 748 . 17 1 1 A 68 68 ILE N N 68 121.049 121.466 -0.417 1
1 749 . 17 1 1 A 69 69 LEU H H 69 9.207 9.644 -0.437 1
1 750 . 17 1 1 A 69 69 LEU HA H 69 4.449 4.792 -0.343 1
1 760 . 17 1 1 A 69 69 LEU C C 69 174.991 175.820 -0.829 1
1 761 . 17 1 1 A 69 69 LEU CA C 69 54.106 54.074 0.032 1
1 762 . 17 1 1 A 69 69 LEU CB C 69 43.588 42.673 0.915 1
1 766 . 17 1 1 A 69 69 LEU N N 69 131.197 129.319 1.878 1
1 767 . 17 1 1 A 70 70 VAL H H 70 8.149 8.514 -0.365 1
1 768 . 17 1 1 A 70 70 VAL HA H 70 4.955 4.628 0.327 1
1 776 . 17 1 1 A 70 70 VAL C C 70 175.167 175.517 -0.350 1
1 777 . 17 1 1 A 70 70 VAL CA C 70 59.928 61.564 -1.636 1
1 778 . 17 1 1 A 70 70 VAL CB C 70 33.239 32.502 0.737 1
1 781 . 17 1 1 A 70 70 VAL N N 70 121.953 123.924 -1.971 1
1 782 . 17 1 1 A 71 71 LEU H H 71 8.881 8.301 0.580 1
1 783 . 17 1 1 A 71 71 LEU HA H 71 4.922 5.113 -0.191 1
1 793 . 17 1 1 A 71 71 LEU C C 71 176.487 175.177 1.310 1
1 794 . 17 1 1 A 71 71 LEU CA C 71 52.627 52.999 -0.372 1
1 795 . 17 1 1 A 71 71 LEU CB C 71 44.487 44.791 -0.304 1
1 799 . 17 1 1 A 71 71 LEU N N 71 126.071 127.293 -1.222 1
1 800 . 17 1 1 A 72 72 VAL H H 72 9.048 9.016 0.032 1
1 801 . 17 1 1 A 72 72 VAL HA H 72 4.351 5.060 -0.709 1
1 809 . 17 1 1 A 72 72 VAL C C 72 176.078 175.060 1.018 1
1 810 . 17 1 1 A 72 72 VAL CA C 72 60.886 60.447 0.439 1
1 811 . 17 1 1 A 72 72 VAL CB C 72 33.141 33.526 -0.385 1
1 814 . 17 1 1 A 72 72 VAL N N 72 120.969 119.361 1.608 1
1 815 . 17 1 1 A 73 73 ASN H H 73 9.630 9.533 0.097 1
1 816 . 17 1 1 A 73 73 ASN HA H 73 4.335 4.407 -0.072 1
1 821 . 17 1 1 A 73 73 ASN C C 73 175.496 174.512 0.984 1
1 822 . 17 1 1 A 73 73 ASN CA C 73 54.736 54.643 0.093 1
1 823 . 17 1 1 A 73 73 ASN CB C 73 36.825 36.819 0.006 1
1 824 . 17 1 1 A 73 73 ASN N N 73 129.082 121.753 7.329 1
1 825 . 17 1 1 A 74 74 SER H H 74 9.308 8.512 0.796 1
1 826 . 17 1 1 A 74 74 SER C C 74 172.584 172.611 -0.027 1
1 827 . 17 1 1 A 74 74 SER N N 74 106.084 105.365 0.719 1
1 828 . 17 1 1 A 75 75 CYS H H 75 7.845 7.658 0.187 1
1 829 . 17 1 1 A 75 75 CYS C C 75 176.045 172.973 3.072 1
1 830 . 17 1 1 A 75 75 CYS CA C 75 57.152 57.890 -0.738 1
1 831 . 17 1 1 A 75 75 CYS CB C 75 29.101 30.894 -1.793 1
1 832 . 17 1 1 A 75 75 CYS N N 75 120.460 117.703 2.757 1
1 833 . 17 1 1 A 76 76 ASP H H 76 8.766 8.718 0.048 1
1 834 . 17 1 1 A 76 76 ASP HA H 76 4.295 4.471 -0.176 1
1 837 . 17 1 1 A 76 76 ASP C C 76 177.713 177.675 0.038 1
1 838 . 17 1 1 A 76 76 ASP CA C 76 55.721 54.956 0.765 1
1 839 . 17 1 1 A 76 76 ASP CB C 76 41.513 40.718 0.795 1
1 840 . 17 1 1 A 76 76 ASP N N 76 126.661 126.387 0.274 1
1 841 . 17 1 1 A 77 77 ALA H H 77 8.555 8.889 -0.334 1
1 842 . 17 1 1 A 77 77 ALA HA H 77 3.688 3.782 -0.094 1
1 846 . 17 1 1 A 77 77 ALA C C 77 180.149 179.128 1.021 1
1 847 . 17 1 1 A 77 77 ALA CA C 77 54.334 54.641 -0.307 1
1 848 . 17 1 1 A 77 77 ALA CB C 77 18.453 18.358 0.095 1
1 849 . 17 1 1 A 77 77 ALA N N 77 128.302 126.319 1.983 1
1 850 . 17 1 1 A 78 78 GLU H H 78 9.034 7.874 1.160 1
1 851 . 17 1 1 A 78 78 GLU HA H 78 3.763 4.117 -0.354 1
1 856 . 17 1 1 A 78 78 GLU C C 78 179.359 179.199 0.160 1
1 857 . 17 1 1 A 78 78 GLU CA C 78 59.569 58.910 0.659 1
1 858 . 17 1 1 A 78 78 GLU CB C 78 29.511 29.124 0.387 1
1 860 . 17 1 1 A 78 78 GLU N N 78 117.499 117.959 -0.460 1
1 861 . 17 1 1 A 79 79 VAL H H 79 7.753 7.685 0.068 1
1 862 . 17 1 1 A 79 79 VAL HA H 79 3.927 3.603 0.324 1
1 870 . 17 1 1 A 79 79 VAL C C 79 177.408 177.955 -0.547 1
1 871 . 17 1 1 A 79 79 VAL CA C 79 64.439 66.319 -1.880 1
1 872 . 17 1 1 A 79 79 VAL CB C 79 31.904 31.576 0.328 1
1 875 . 17 1 1 A 79 79 VAL N N 79 115.536 121.138 -5.602 1
1 876 . 17 1 1 A 80 80 VAL H H 80 7.123 7.636 -0.513 1
1 877 . 17 1 1 A 80 80 VAL HA H 80 4.443 4.068 0.375 1
1 885 . 17 1 1 A 80 80 VAL C C 80 175.020 176.304 -1.284 1
1 886 . 17 1 1 A 80 80 VAL CA C 80 60.286 64.425 -4.139 1
1 887 . 17 1 1 A 80 80 VAL CB C 80 30.948 32.235 -1.287 1
1 890 . 17 1 1 A 80 80 VAL N N 80 109.738 115.827 -6.089 1
1 891 . 17 1 1 A 81 81 GLY H H 81 7.210 7.350 -0.140 1
1 892 . 17 1 1 A 81 81 GLY HA2 H 81 4.511 4.061 0.450 1
1 893 . 17 1 1 A 81 81 GLY HA3 H 81 3.664 4.088 -0.424 1
1 894 . 17 1 1 A 81 81 GLY C C 81 175.262 174.589 0.673 1
1 895 . 17 1 1 A 81 81 GLY CA C 81 44.964 45.258 -0.294 1
1 896 . 17 1 1 A 81 81 GLY N N 81 106.697 110.193 -3.496 1
1 897 . 17 1 1 A 82 82 GLY H H 82 8.673 8.622 0.051 1
1 898 . 17 1 1 A 82 82 GLY HA2 H 82 4.022 3.816 0.206 1
1 899 . 17 1 1 A 82 82 GLY HA3 H 82 3.150 3.827 -0.677 1
1 900 . 17 1 1 A 82 82 GLY C C 82 174.547 174.887 -0.340 1
1 901 . 17 1 1 A 82 82 GLY CA C 82 45.151 47.352 -2.201 1
1 902 . 17 1 1 A 82 82 GLY N N 82 111.931 109.186 2.745 1
1 903 . 17 1 1 A 83 83 MET H H 83 8.841 8.672 0.169 1
1 904 . 17 1 1 A 83 83 MET HA H 83 4.582 4.750 -0.168 1
1 909 . 17 1 1 A 83 83 MET C C 83 176.001 176.098 -0.097 1
1 910 . 17 1 1 A 83 83 MET CA C 83 55.737 55.123 0.614 1
1 911 . 17 1 1 A 83 83 MET CB C 83 30.273 33.236 -2.963 1
1 913 . 17 1 1 A 83 83 MET N N 83 119.840 125.776 -5.936 1
1 914 . 17 1 1 A 84 84 ASP H H 84 7.395 8.722 -1.327 1
1 915 . 17 1 1 A 84 84 ASP HA H 84 4.695 4.934 -0.239 1
1 918 . 17 1 1 A 84 84 ASP C C 84 176.694 175.397 1.297 1
1 919 . 17 1 1 A 84 84 ASP CA C 84 54.300 53.269 1.031 1
1 920 . 17 1 1 A 84 84 ASP CB C 84 41.551 41.214 0.337 1
1 921 . 17 1 1 A 84 84 ASP N N 84 114.478 120.797 -6.319 1
1 922 . 17 1 1 A 85 85 TYR H H 85 7.930 7.828 0.102 1
1 923 . 17 1 1 A 85 85 TYR HA H 85 4.148 4.530 -0.382 1
1 926 . 17 1 1 A 85 85 TYR C C 85 173.845 175.173 -1.328 1
1 927 . 17 1 1 A 85 85 TYR CA C 85 59.520 58.066 1.454 1
1 928 . 17 1 1 A 85 85 TYR CB C 85 38.105 38.901 -0.796 1
1 929 . 17 1 1 A 85 85 TYR N N 85 123.769 121.664 2.105 1
1 930 . 17 1 1 A 86 86 VAL H H 86 7.755 8.313 -0.558 1
1 931 . 17 1 1 A 86 86 VAL HA H 86 3.402 4.085 -0.683 1
1 939 . 17 1 1 A 86 86 VAL C C 86 173.896 175.406 -1.510 1
1 940 . 17 1 1 A 86 86 VAL CA C 86 62.779 61.634 1.145 1
1 941 . 17 1 1 A 86 86 VAL CB C 86 31.843 32.666 -0.823 1
1 944 . 17 1 1 A 86 86 VAL N N 86 130.130 124.380 5.750 1
1 945 . 17 1 1 A 87 87 LEU H H 87 7.069 8.552 -1.483 1
1 946 . 17 1 1 A 87 87 LEU HA H 87 3.833 4.746 -0.913 1
1 956 . 17 1 1 A 87 87 LEU C C 87 176.432 175.948 0.484 1
1 957 . 17 1 1 A 87 87 LEU CA C 87 55.977 52.979 2.998 1
1 958 . 17 1 1 A 87 87 LEU CB C 87 42.126 44.277 -2.151 1
1 962 . 17 1 1 A 87 87 LEU N N 87 121.577 125.147 -3.570 1
1 963 . 17 1 1 A 88 88 ASN H H 88 8.705 8.653 0.052 1
1 964 . 17 1 1 A 88 88 ASN HA H 88 4.717 4.941 -0.224 1
1 967 . 17 1 1 A 88 88 ASN C C 88 173.156 174.477 -1.321 1
1 968 . 17 1 1 A 88 88 ASN CA C 88 51.471 51.956 -0.485 1
1 969 . 17 1 1 A 88 88 ASN CB C 88 41.622 39.491 2.131 1
1 970 . 17 1 1 A 88 88 ASN N N 88 120.561 118.659 1.902 1
1 971 . 17 1 1 A 89 89 ASP H H 89 8.482 8.199 0.283 1
1 972 . 17 1 1 A 89 89 ASP HA H 89 3.937 4.405 -0.468 1
1 975 . 17 1 1 A 89 89 ASP C C 89 178.751 176.299 2.452 1
1 976 . 17 1 1 A 89 89 ASP CA C 89 56.268 55.266 1.002 1
1 977 . 17 1 1 A 89 89 ASP CB C 89 40.380 39.498 0.882 1
1 978 . 17 1 1 A 89 89 ASP N N 89 122.084 116.043 6.041 1
1 979 . 17 1 1 A 90 90 GLY H H 90 9.334 8.352 0.982 1
1 980 . 17 1 1 A 90 90 GLY HA2 H 90 4.314 3.997 0.317 1
1 981 . 17 1 1 A 90 90 GLY HA3 H 90 3.619 4.109 -0.490 1
1 982 . 17 1 1 A 90 90 GLY C C 90 174.907 174.304 0.603 1
1 983 . 17 1 1 A 90 90 GLY CA C 90 45.076 45.397 -0.321 1
1 984 . 17 1 1 A 90 90 GLY N N 90 117.218 108.938 8.280 1
1 985 . 17 1 1 A 91 91 ASP H H 91 7.987 8.082 -0.095 1
1 986 . 17 1 1 A 91 91 ASP HA H 91 4.745 4.909 -0.164 1
1 989 . 17 1 1 A 91 91 ASP C C 91 175.436 175.289 0.147 1
1 990 . 17 1 1 A 91 91 ASP CA C 91 55.954 53.832 2.122 1
1 991 . 17 1 1 A 91 91 ASP CB C 91 41.876 42.908 -1.032 1
1 992 . 17 1 1 A 91 91 ASP N N 91 122.336 120.646 1.690 1
1 993 . 17 1 1 A 92 92 THR H H 92 8.227 8.345 -0.118 1
1 994 . 17 1 1 A 92 92 THR HA H 92 5.093 5.284 -0.191 1
1 999 . 17 1 1 A 92 92 THR C C 92 173.702 173.085 0.617 1
1 1000 . 17 1 1 A 92 92 THR CA C 92 61.477 61.657 -0.180 1
1 1001 . 17 1 1 A 92 92 THR CB C 92 70.032 71.892 -1.860 1
1 1003 . 17 1 1 A 92 92 THR N N 92 115.456 115.979 -0.523 1
1 1004 . 17 1 1 A 93 93 VAL H H 93 9.039 8.931 0.108 1
1 1005 . 17 1 1 A 93 93 VAL HA H 93 4.731 4.827 -0.096 1
1 1013 . 17 1 1 A 93 93 VAL C C 93 173.391 172.931 0.460 1
1 1014 . 17 1 1 A 93 93 VAL CA C 93 59.984 59.924 0.060 1
1 1015 . 17 1 1 A 93 93 VAL CB C 93 33.978 35.229 -1.251 1
1 1018 . 17 1 1 A 93 93 VAL N N 93 129.109 125.162 3.947 1
1 1019 . 17 1 1 A 94 94 GLU H H 94 9.012 8.330 0.682 1
1 1020 . 17 1 1 A 94 94 GLU HA H 94 4.941 4.763 0.178 1
1 1025 . 17 1 1 A 94 94 GLU C C 94 173.669 174.635 -0.966 1
1 1026 . 17 1 1 A 94 94 GLU CA C 94 53.577 54.091 -0.514 1
1 1027 . 17 1 1 A 94 94 GLU CB C 94 32.853 33.550 -0.697 1
1 1029 . 17 1 1 A 94 94 GLU N N 94 126.881 127.064 -0.183 1
1 1030 . 17 1 1 A 95 95 PHE H H 95 9.012 8.135 0.877 1
1 1031 . 17 1 1 A 95 95 PHE HA H 95 4.941 5.091 -0.150 1
1 1034 . 17 1 1 A 95 95 PHE C C 95 174.687 174.484 0.203 1
1 1035 . 17 1 1 A 95 95 PHE CA C 95 56.843 56.368 0.475 1
1 1036 . 17 1 1 A 95 95 PHE CB C 95 40.889 40.515 0.374 1
1 1037 . 17 1 1 A 95 95 PHE N N 95 122.718 120.168 2.550 1
1 1038 . 17 1 1 A 96 96 ILE H H 96 9.292 9.255 0.037 1
1 1039 . 17 1 1 A 96 96 ILE HA H 96 4.573 4.694 -0.121 1
1 1049 . 17 1 1 A 96 96 ILE C C 96 175.897 175.217 0.680 1
1 1050 . 17 1 1 A 96 96 ILE CA C 96 59.748 60.604 -0.856 1
1 1051 . 17 1 1 A 96 96 ILE CB C 96 40.938 38.966 1.972 1
1 1055 . 17 1 1 A 96 96 ILE N N 96 123.112 125.479 -2.367 1
1 1056 . 17 1 1 A 97 97 SER H H 97 8.245 8.948 -0.703 1
1 1057 . 17 1 1 A 97 97 SER HA H 97 4.800 5.013 -0.213 1
1 1060 . 17 1 1 A 97 97 SER C C 97 175.130 174.651 0.479 1
1 1061 . 17 1 1 A 97 97 SER CA C 97 58.154 57.301 0.853 1
1 1062 . 17 1 1 A 97 97 SER CB C 97 63.137 63.993 -0.856 1
1 1063 . 17 1 1 A 97 97 SER N N 97 121.343 122.890 -1.547 1
1 1064 . 17 1 1 A 98 98 THR H H 98 8.181 8.917 -0.736 1
1 1065 . 17 1 1 A 98 98 THR HA H 98 4.549 4.565 -0.016 1
1 1070 . 17 1 1 A 98 98 THR C C 98 174.729 174.475 0.254 1
1 1071 . 17 1 1 A 98 98 THR CA C 98 61.603 62.216 -0.613 1
1 1072 . 17 1 1 A 98 98 THR CB C 98 69.890 70.175 -0.285 1
1 1074 . 17 1 1 A 98 98 THR N N 98 116.451 114.435 2.016 1
1 1075 . 17 1 1 A 99 99 LEU H H 99 8.033 7.332 0.701 1
1 1076 . 17 1 1 A 99 99 LEU HA H 99 4.234 4.377 -0.143 1
1 1086 . 17 1 1 A 99 99 LEU C C 99 177.349 176.003 1.346 1
1 1087 . 17 1 1 A 99 99 LEU CA C 99 55.517 54.749 0.768 1
1 1088 . 17 1 1 A 99 99 LEU CB C 99 41.996 42.650 -0.654 1
1 1092 . 17 1 1 A 99 99 LEU N N 99 122.869 123.642 -0.773 1
1 1093 . 17 1 1 A 100 100 HIS H H 100 8.558 8.928 -0.370 1
1 1094 . 17 1 1 A 100 100 HIS HA H 100 4.460 4.944 -0.484 1
1 1097 . 17 1 1 A 100 100 HIS C C 100 175.718 174.168 1.550 1
1 1098 . 17 1 1 A 100 100 HIS CA C 100 56.096 54.683 1.413 1
1 1099 . 17 1 1 A 100 100 HIS CB C 100 29.709 30.916 -1.207 1
1 1100 . 17 1 1 A 100 100 HIS N N 100 120.437 127.158 -6.721 1
1 1101 . 17 1 1 A 101 101 GLY H H 101 8.477 8.739 -0.262 1
1 1102 . 17 1 1 A 101 101 GLY HA2 H 101 3.888 4.177 -0.289 1
1 1103 . 17 1 1 A 101 101 GLY HA3 H 101 3.888 4.219 -0.331 1
1 1104 . 17 1 1 A 101 101 GLY C C 101 174.614 172.836 1.778 1
1 1105 . 17 1 1 A 101 101 GLY CA C 101 45.529 44.514 1.015 1
1 1106 . 17 1 1 A 101 101 GLY N N 101 110.340 112.712 -2.372 1
1 7 . 18 1 1 A 2 2 SER H H 2 8.206 8.632 -0.426 1
1 8 . 18 1 1 A 2 2 SER N N 2 126.498 119.468 7.030 1
1 9 . 18 1 1 A 3 3 ASN HA H 3 5.166 5.127 0.039 1
1 12 . 18 1 1 A 3 3 ASN C C 3 175.527 175.215 0.312 1
1 13 . 18 1 1 A 3 3 ASN CA C 3 51.466 52.308 -0.842 1
1 14 . 18 1 1 A 3 3 ASN CB C 3 39.931 39.133 0.798 1
1 15 . 18 1 1 A 4 4 HIS H H 4 8.859 8.123 0.736 1
1 16 . 18 1 1 A 4 4 HIS HA H 4 4.165 4.165 0.000 1
1 19 . 18 1 1 A 4 4 HIS C C 4 175.897 174.159 1.738 1
1 20 . 18 1 1 A 4 4 HIS CA C 4 56.644 56.053 0.591 1
1 21 . 18 1 1 A 4 4 HIS CB C 4 30.122 28.073 2.049 1
1 22 . 18 1 1 A 4 4 HIS N N 4 120.656 118.430 2.226 1
1 23 . 18 1 1 A 5 5 ASN H H 5 8.263 8.428 -0.165 1
1 24 . 18 1 1 A 5 5 ASN HA H 5 4.274 4.581 -0.307 1
1 27 . 18 1 1 A 5 5 ASN C C 5 177.939 175.386 2.553 1
1 28 . 18 1 1 A 5 5 ASN CA C 5 57.261 53.945 3.316 1
1 29 . 18 1 1 A 5 5 ASN CB C 5 38.232 38.540 -0.308 1
1 30 . 18 1 1 A 5 5 ASN N N 5 121.699 121.295 0.404 1
1 31 . 18 1 1 A 6 6 HIS H H 6 9.675 8.702 0.973 1
1 32 . 18 1 1 A 6 6 HIS HA H 6 5.261 5.269 -0.008 1
1 35 . 18 1 1 A 6 6 HIS C C 6 171.876 172.171 -0.295 1
1 36 . 18 1 1 A 6 6 HIS CA C 6 56.016 54.748 1.268 1
1 37 . 18 1 1 A 6 6 HIS CB C 6 31.324 31.307 0.017 1
1 38 . 18 1 1 A 6 6 HIS N N 6 117.245 117.208 0.037 1
1 39 . 18 1 1 A 7 7 ILE H H 7 7.753 8.188 -0.435 1
1 40 . 18 1 1 A 7 7 ILE HA H 7 4.442 4.879 -0.437 1
1 50 . 18 1 1 A 7 7 ILE C C 7 174.518 174.817 -0.299 1
1 51 . 18 1 1 A 7 7 ILE CA C 7 57.922 59.528 -1.606 1
1 52 . 18 1 1 A 7 7 ILE CB C 7 39.790 41.545 -1.755 1
1 56 . 18 1 1 A 7 7 ILE N N 7 126.114 120.888 5.226 1
1 57 . 18 1 1 A 8 8 THR H H 8 8.238 8.525 -0.287 1
1 58 . 18 1 1 A 8 8 THR HA H 8 4.733 4.678 0.055 1
1 63 . 18 1 1 A 8 8 THR C C 8 172.672 172.720 -0.048 1
1 64 . 18 1 1 A 8 8 THR CA C 8 62.203 61.718 0.485 1
1 65 . 18 1 1 A 8 8 THR CB C 8 70.202 69.218 0.984 1
1 67 . 18 1 1 A 8 8 THR N N 8 123.879 121.548 2.331 1
1 68 . 18 1 1 A 9 9 VAL H H 9 8.717 9.013 -0.296 1
1 69 . 18 1 1 A 9 9 VAL HA H 9 5.165 5.051 0.114 1
1 77 . 18 1 1 A 9 9 VAL C C 9 173.545 174.445 -0.900 1
1 78 . 18 1 1 A 9 9 VAL CA C 9 59.279 59.654 -0.375 1
1 79 . 18 1 1 A 9 9 VAL CB C 9 33.495 34.313 -0.818 1
1 82 . 18 1 1 A 9 9 VAL N N 9 124.808 126.627 -1.819 1
1 83 . 18 1 1 A 10 10 GLN H H 10 8.863 8.409 0.454 1
1 84 . 18 1 1 A 10 10 GLN HA H 10 4.841 4.615 0.226 1
1 87 . 18 1 1 A 10 10 GLN C C 10 173.774 174.039 -0.265 1
1 88 . 18 1 1 A 10 10 GLN CA C 10 53.092 53.590 -0.498 1
1 89 . 18 1 1 A 10 10 GLN CB C 10 32.226 32.459 -0.233 1
1 91 . 18 1 1 A 10 10 GLN N N 10 123.709 125.860 -2.151 1
1 92 . 18 1 1 A 11 11 PHE H H 11 8.252 7.957 0.295 1
1 93 . 18 1 1 A 11 11 PHE HA H 11 5.661 5.497 0.164 1
1 96 . 18 1 1 A 11 11 PHE C C 11 175.180 175.182 -0.002 1
1 97 . 18 1 1 A 11 11 PHE CA C 11 55.799 56.648 -0.849 1
1 98 . 18 1 1 A 11 11 PHE CB C 11 43.197 41.891 1.306 1
1 99 . 18 1 1 A 11 11 PHE N N 11 119.002 118.175 0.827 1
1 100 . 18 1 1 A 12 12 ALA H H 12 8.989 8.658 0.331 1
1 101 . 18 1 1 A 12 12 ALA HA H 12 4.971 5.080 -0.109 1
1 105 . 18 1 1 A 12 12 ALA C C 12 179.413 177.934 1.479 1
1 106 . 18 1 1 A 12 12 ALA CA C 12 51.675 51.327 0.348 1
1 107 . 18 1 1 A 12 12 ALA CB C 12 23.716 23.180 0.536 1
1 108 . 18 1 1 A 12 12 ALA N N 12 123.388 124.683 -1.295 1
1 109 . 18 1 1 A 13 13 GLY H H 13 9.188 8.995 0.193 1
1 110 . 18 1 1 A 13 13 GLY HA2 H 13 4.477 3.898 0.579 1
1 111 . 18 1 1 A 13 13 GLY HA3 H 13 3.937 3.903 0.034 1
1 112 . 18 1 1 A 13 13 GLY C C 13 173.600 175.097 -1.497 1
1 113 . 18 1 1 A 13 13 GLY CA C 13 46.252 47.280 -1.028 1
1 114 . 18 1 1 A 13 13 GLY N N 13 110.134 109.534 0.600 1
1 115 . 18 1 1 A 14 14 GLY H H 14 9.510 8.280 1.230 1
1 116 . 18 1 1 A 14 14 GLY HA2 H 14 4.600 4.172 0.428 1
1 117 . 18 1 1 A 14 14 GLY HA3 H 14 3.453 4.194 -0.741 1
1 118 . 18 1 1 A 14 14 GLY C C 14 177.136 174.760 2.376 1
1 119 . 18 1 1 A 14 14 GLY CA C 14 44.792 45.453 -0.661 1
1 120 . 18 1 1 A 14 14 GLY N N 14 109.966 112.922 -2.956 1
1 121 . 18 1 1 A 15 15 CYS H H 15 7.748 8.032 -0.284 1
1 122 . 18 1 1 A 15 15 CYS HA H 15 3.883 4.481 -0.598 1
1 125 . 18 1 1 A 15 15 CYS C C 15 175.011 176.508 -1.497 1
1 126 . 18 1 1 A 15 15 CYS CA C 15 62.034 59.547 2.487 1
1 127 . 18 1 1 A 15 15 CYS N N 15 121.082 117.402 3.680 1
1 128 . 18 1 1 A 16 16 GLU H H 16 7.837 8.302 -0.465 1
1 129 . 18 1 1 A 16 16 GLU HA H 16 4.009 4.262 -0.253 1
1 134 . 18 1 1 A 16 16 GLU C C 16 178.419 178.234 0.185 1
1 135 . 18 1 1 A 16 16 GLU CA C 16 58.599 59.194 -0.595 1
1 136 . 18 1 1 A 16 16 GLU CB C 16 27.745 29.152 -1.407 1
1 138 . 18 1 1 A 16 16 GLU N N 16 120.416 120.156 0.260 1
1 139 . 18 1 1 A 17 17 LEU H H 17 7.626 8.100 -0.474 1
1 140 . 18 1 1 A 17 17 LEU HA H 17 3.927 4.156 -0.229 1
1 150 . 18 1 1 A 17 17 LEU C C 17 178.349 177.746 0.603 1
1 151 . 18 1 1 A 17 17 LEU CA C 17 57.105 56.944 0.161 1
1 152 . 18 1 1 A 17 17 LEU CB C 17 40.474 41.641 -1.167 1
1 156 . 18 1 1 A 17 17 LEU N N 17 122.648 121.015 1.633 1
1 157 . 18 1 1 A 18 18 LEU H H 18 7.488 7.425 0.063 1
1 158 . 18 1 1 A 18 18 LEU HA H 18 4.143 4.310 -0.167 1
1 168 . 18 1 1 A 18 18 LEU C C 18 175.859 176.651 -0.792 1
1 169 . 18 1 1 A 18 18 LEU CA C 18 55.729 54.732 0.997 1
1 170 . 18 1 1 A 18 18 LEU CB C 18 40.532 41.502 -0.970 1
1 174 . 18 1 1 A 18 18 LEU N N 18 117.565 117.786 -0.221 1
1 175 . 18 1 1 A 19 19 PHE H H 19 7.164 7.858 -0.694 1
1 176 . 18 1 1 A 19 19 PHE HA H 19 4.395 4.853 -0.458 1
1 179 . 18 1 1 A 19 19 PHE C C 19 176.362 175.633 0.729 1
1 180 . 18 1 1 A 19 19 PHE CA C 19 56.373 59.037 -2.664 1
1 181 . 18 1 1 A 19 19 PHE CB C 19 39.143 40.842 -1.699 1
1 182 . 18 1 1 A 19 19 PHE N N 19 117.899 120.226 -2.327 1
1 183 . 18 1 1 A 20 20 ALA H H 20 8.780 7.658 1.122 1
1 184 . 18 1 1 A 20 20 ALA HA H 20 4.087 4.458 -0.371 1
1 188 . 18 1 1 A 20 20 ALA C C 20 176.512 177.372 -0.860 1
1 189 . 18 1 1 A 20 20 ALA CA C 20 53.279 51.362 1.917 1
1 190 . 18 1 1 A 20 20 ALA CB C 20 17.047 19.114 -2.067 1
1 191 . 18 1 1 A 20 20 ALA N N 20 123.417 119.658 3.759 1
1 192 . 18 1 1 A 21 21 LYS H H 21 7.825 8.079 -0.254 1
1 193 . 18 1 1 A 21 21 LYS HA H 21 3.181 3.883 -0.702 1
1 202 . 18 1 1 A 21 21 LYS C C 21 175.295 175.736 -0.441 1
1 203 . 18 1 1 A 21 21 LYS CA C 21 58.666 57.309 1.357 1
1 204 . 18 1 1 A 21 21 LYS CB C 21 29.784 29.726 0.058 1
1 208 . 18 1 1 A 21 21 LYS N N 21 108.448 112.500 -4.052 1
1 209 . 18 1 1 A 22 22 GLN H H 22 7.611 8.178 -0.567 1
1 210 . 18 1 1 A 22 22 GLN HA H 22 4.429 4.482 -0.053 1
1 215 . 18 1 1 A 22 22 GLN C C 22 174.967 176.094 -1.127 1
1 216 . 18 1 1 A 22 22 GLN CA C 22 56.105 56.181 -0.076 1
1 217 . 18 1 1 A 22 22 GLN CB C 22 29.548 30.569 -1.021 1
1 219 . 18 1 1 A 22 22 GLN N N 22 120.482 118.177 2.305 1
1 220 . 18 1 1 A 23 23 THR H H 23 8.201 8.854 -0.653 1
1 221 . 18 1 1 A 23 23 THR HA H 23 4.491 4.585 -0.094 1
1 226 . 18 1 1 A 23 23 THR C C 23 175.012 174.687 0.325 1
1 227 . 18 1 1 A 23 23 THR CA C 23 62.436 62.368 0.068 1
1 228 . 18 1 1 A 23 23 THR CB C 23 69.501 69.951 -0.450 1
1 229 . 18 1 1 A 23 23 THR N N 23 110.354 112.854 -2.500 1
1 230 . 18 1 1 A 24 24 SER H H 24 7.751 7.903 -0.152 1
1 231 . 18 1 1 A 24 24 SER HA H 24 5.136 4.673 0.463 1
1 234 . 18 1 1 A 24 24 SER C C 24 172.623 172.287 0.336 1
1 235 . 18 1 1 A 24 24 SER CA C 24 57.192 57.338 -0.146 1
1 236 . 18 1 1 A 24 24 SER CB C 24 65.459 65.560 -0.101 1
1 237 . 18 1 1 A 24 24 SER N N 24 114.575 113.537 1.038 1
1 238 . 18 1 1 A 25 25 LEU H H 25 9.272 9.363 -0.091 1
1 239 . 18 1 1 A 25 25 LEU HA H 25 4.531 4.971 -0.440 1
1 249 . 18 1 1 A 25 25 LEU C C 25 174.436 175.797 -1.361 1
1 250 . 18 1 1 A 25 25 LEU CA C 25 53.929 53.818 0.111 1
1 251 . 18 1 1 A 25 25 LEU CB C 25 45.561 46.403 -0.842 1
1 255 . 18 1 1 A 25 25 LEU N N 25 124.288 122.990 1.298 1
1 256 . 18 1 1 A 26 26 GLN H H 26 8.573 8.753 -0.180 1
1 257 . 18 1 1 A 26 26 GLN HA H 26 4.607 5.484 -0.877 1
1 262 . 18 1 1 A 26 26 GLN C C 26 173.250 174.695 -1.445 1
1 263 . 18 1 1 A 26 26 GLN CA C 26 54.207 54.342 -0.135 1
1 264 . 18 1 1 A 26 26 GLN CB C 26 27.813 30.641 -2.828 1
1 266 . 18 1 1 A 26 26 GLN N N 26 122.971 120.130 2.841 1
1 267 . 18 1 1 A 27 27 LEU H H 27 8.753 8.877 -0.124 1
1 268 . 18 1 1 A 27 27 LEU HA H 27 4.414 4.760 -0.346 1
1 272 . 18 1 1 A 27 27 LEU C C 27 175.313 176.000 -0.687 1
1 273 . 18 1 1 A 27 27 LEU CA C 27 53.132 53.923 -0.791 1
1 274 . 18 1 1 A 27 27 LEU CB C 27 40.489 43.205 -2.716 1
1 278 . 18 1 1 A 27 27 LEU N N 27 126.504 126.337 0.167 1
1 279 . 18 1 1 A 28 28 ASP H H 28 8.568 8.694 -0.126 1
1 280 . 18 1 1 A 28 28 ASP HA H 28 4.414 5.408 -0.994 1
1 283 . 18 1 1 A 28 28 ASP C C 28 176.147 175.918 0.229 1
1 284 . 18 1 1 A 28 28 ASP CA C 28 53.407 52.406 1.001 1
1 285 . 18 1 1 A 28 28 ASP CB C 28 40.535 44.162 -3.627 1
1 286 . 18 1 1 A 28 28 ASP N N 28 112.805 122.478 -9.673 1
1 287 . 18 1 1 A 29 29 GLY H H 29 7.770 8.925 -1.155 1
1 288 . 18 1 1 A 29 29 GLY HA2 H 29 3.942 3.999 -0.057 1
1 289 . 18 1 1 A 29 29 GLY HA3 H 29 3.806 4.000 -0.194 1
1 290 . 18 1 1 A 29 29 GLY C C 29 174.455 175.009 -0.554 1
1 291 . 18 1 1 A 29 29 GLY CA C 29 47.297 46.527 0.770 1
1 292 . 18 1 1 A 29 29 GLY N N 29 129.863 111.420 18.443 1
1 293 . 18 1 1 A 30 30 VAL H H 30 7.792 7.970 -0.178 1
1 294 . 18 1 1 A 30 30 VAL HA H 30 4.391 4.429 -0.038 1
1 302 . 18 1 1 A 30 30 VAL C C 30 174.315 176.118 -1.803 1
1 303 . 18 1 1 A 30 30 VAL CA C 30 62.180 62.098 0.082 1
1 304 . 18 1 1 A 30 30 VAL CB C 30 35.931 33.627 2.304 1
1 307 . 18 1 1 A 30 30 VAL N N 30 112.711 117.020 -4.309 1
1 308 . 18 1 1 A 31 31 VAL H H 31 8.748 7.832 0.916 1
1 309 . 18 1 1 A 31 31 VAL C C 31 172.882 175.423 -2.541 1
1 310 . 18 1 1 A 31 31 VAL CA C 31 62.284 58.999 3.285 1
1 311 . 18 1 1 A 31 31 VAL CB C 31 33.804 31.741 2.063 1
1 312 . 18 1 1 A 31 31 VAL N N 31 123.316 119.400 3.916 1
1 313 . 18 1 1 A 32 32 PRO HA H 32 5.038 4.509 0.529 1
1 320 . 18 1 1 A 32 32 PRO C C 32 179.633 177.126 2.507 1
1 321 . 18 1 1 A 32 32 PRO CA C 32 63.073 65.867 -2.794 1
1 322 . 18 1 1 A 32 32 PRO CB C 32 32.421 31.312 1.109 1
1 325 . 18 1 1 A 33 33 THR H H 33 8.739 8.068 0.671 1
1 326 . 18 1 1 A 33 33 THR HA H 33 3.896 4.739 -0.843 1
1 331 . 18 1 1 A 33 33 THR C C 33 174.735 175.678 -0.943 1
1 332 . 18 1 1 A 33 33 THR CA C 33 64.329 63.248 1.081 1
1 333 . 18 1 1 A 33 33 THR CB C 33 67.929 70.992 -3.063 1
1 335 . 18 1 1 A 33 33 THR N N 33 120.858 109.704 11.154 1
1 336 . 18 1 1 A 34 34 GLY H H 34 8.303 7.986 0.317 1
1 337 . 18 1 1 A 34 34 GLY HA2 H 34 4.359 3.840 0.519 1
1 338 . 18 1 1 A 34 34 GLY HA3 H 34 3.451 3.849 -0.398 1
1 339 . 18 1 1 A 34 34 GLY C C 34 174.037 173.382 0.655 1
1 340 . 18 1 1 A 34 34 GLY CA C 34 45.067 46.996 -1.929 1
1 341 . 18 1 1 A 34 34 GLY N N 34 114.645 108.216 6.429 1
1 342 . 18 1 1 A 35 35 THR H H 35 7.405 7.551 -0.146 1
1 343 . 18 1 1 A 35 35 THR HA H 35 4.073 4.923 -0.850 1
1 348 . 18 1 1 A 35 35 THR C C 35 174.540 174.166 0.374 1
1 349 . 18 1 1 A 35 35 THR CA C 35 65.137 61.447 3.690 1
1 350 . 18 1 1 A 35 35 THR CB C 35 69.484 71.522 -2.038 1
1 352 . 18 1 1 A 35 35 THR N N 35 117.340 114.153 3.187 1
1 353 . 18 1 1 A 36 36 ASN H H 36 8.836 8.638 0.198 1
1 354 . 18 1 1 A 36 36 ASN HA H 36 5.686 5.007 0.679 1
1 357 . 18 1 1 A 36 36 ASN C C 36 176.512 175.376 1.136 1
1 358 . 18 1 1 A 36 36 ASN CA C 36 50.439 51.850 -1.411 1
1 359 . 18 1 1 A 36 36 ASN CB C 36 40.274 39.004 1.270 1
1 360 . 18 1 1 A 36 36 ASN N N 36 127.379 125.511 1.868 1
1 361 . 18 1 1 A 37 37 LEU H H 37 8.045 8.778 -0.733 1
1 362 . 18 1 1 A 37 37 LEU HA H 37 4.142 4.098 0.044 1
1 372 . 18 1 1 A 37 37 LEU C C 37 178.931 178.119 0.812 1
1 373 . 18 1 1 A 37 37 LEU CA C 37 59.274 58.477 0.797 1
1 374 . 18 1 1 A 37 37 LEU CB C 37 42.159 41.303 0.856 1
1 378 . 18 1 1 A 37 37 LEU N N 37 119.164 120.745 -1.581 1
1 379 . 18 1 1 A 38 38 ASN H H 38 7.959 8.266 -0.307 1
1 380 . 18 1 1 A 38 38 ASN HA H 38 4.502 4.410 0.092 1
1 383 . 18 1 1 A 38 38 ASN C C 38 178.691 178.144 0.547 1
1 384 . 18 1 1 A 38 38 ASN CA C 38 57.080 56.546 0.534 1
1 385 . 18 1 1 A 38 38 ASN CB C 38 38.367 38.786 -0.419 1
1 386 . 18 1 1 A 38 38 ASN N N 38 118.522 117.157 1.365 1
1 387 . 18 1 1 A 39 39 GLY H H 39 8.828 8.193 0.635 1
1 388 . 18 1 1 A 39 39 GLY HA2 H 39 4.088 3.680 0.408 1
1 389 . 18 1 1 A 39 39 GLY HA3 H 39 3.911 3.680 0.231 1
1 390 . 18 1 1 A 39 39 GLY C C 39 177.320 175.558 1.762 1
1 391 . 18 1 1 A 39 39 GLY CA C 39 46.879 47.350 -0.471 1
1 392 . 18 1 1 A 39 39 GLY N N 39 109.615 107.472 2.143 1
1 393 . 18 1 1 A 40 40 LEU H H 40 8.829 7.931 0.898 1
1 394 . 18 1 1 A 40 40 LEU HA H 40 4.504 4.129 0.375 1
1 404 . 18 1 1 A 40 40 LEU C C 40 177.788 178.481 -0.693 1
1 405 . 18 1 1 A 40 40 LEU CA C 40 57.770 57.704 0.066 1
1 406 . 18 1 1 A 40 40 LEU CB C 40 41.713 41.897 -0.184 1
1 410 . 18 1 1 A 40 40 LEU N N 40 125.884 123.264 2.620 1
1 411 . 18 1 1 A 41 41 VAL H H 41 8.333 8.437 -0.104 1
1 412 . 18 1 1 A 41 41 VAL HA H 41 3.328 3.826 -0.498 1
1 420 . 18 1 1 A 41 41 VAL C C 41 177.556 177.785 -0.229 1
1 421 . 18 1 1 A 41 41 VAL CA C 41 67.977 65.467 2.510 1
1 422 . 18 1 1 A 41 41 VAL CB C 41 31.080 31.073 0.007 1
1 425 . 18 1 1 A 41 41 VAL N N 41 120.213 117.047 3.166 1
1 426 . 18 1 1 A 42 42 GLN H H 42 7.672 8.108 -0.436 1
1 427 . 18 1 1 A 42 42 GLN HA H 42 3.866 3.963 -0.097 1
1 432 . 18 1 1 A 42 42 GLN C C 42 177.980 178.121 -0.141 1
1 433 . 18 1 1 A 42 42 GLN CA C 42 58.694 58.979 -0.285 1
1 434 . 18 1 1 A 42 42 GLN CB C 42 27.809 28.537 -0.728 1
1 436 . 18 1 1 A 42 42 GLN N N 42 116.386 121.778 -5.392 1
1 437 . 18 1 1 A 43 43 LEU H H 43 8.080 7.475 0.605 1
1 438 . 18 1 1 A 43 43 LEU HA H 43 4.225 4.156 0.069 1
1 448 . 18 1 1 A 43 43 LEU C C 43 179.999 178.473 1.526 1
1 449 . 18 1 1 A 43 43 LEU CA C 43 58.275 57.199 1.076 1
1 450 . 18 1 1 A 43 43 LEU CB C 43 43.046 41.204 1.842 1
1 454 . 18 1 1 A 43 43 LEU N N 43 122.204 120.522 1.682 1
1 455 . 18 1 1 A 44 44 LEU H H 44 8.810 8.121 0.689 1
1 456 . 18 1 1 A 44 44 LEU HA H 44 4.384 4.292 0.092 1
1 466 . 18 1 1 A 44 44 LEU C C 44 179.311 178.777 0.534 1
1 467 . 18 1 1 A 44 44 LEU CA C 44 58.397 57.184 1.213 1
1 468 . 18 1 1 A 44 44 LEU CB C 44 41.553 42.499 -0.946 1
1 472 . 18 1 1 A 44 44 LEU N N 44 119.371 117.659 1.712 1
1 473 . 18 1 1 A 45 45 LYS H H 45 8.652 8.496 0.156 1
1 474 . 18 1 1 A 45 45 LYS HA H 45 3.678 4.088 -0.410 1
1 483 . 18 1 1 A 45 45 LYS C C 45 177.005 179.031 -2.026 1
1 484 . 18 1 1 A 45 45 LYS CA C 45 60.016 58.986 1.030 1
1 485 . 18 1 1 A 45 45 LYS CB C 45 32.411 32.236 0.175 1
1 489 . 18 1 1 A 45 45 LYS N N 45 120.434 119.950 0.484 1
1 490 . 18 1 1 A 46 46 THR H H 46 8.180 8.333 -0.153 1
1 491 . 18 1 1 A 46 46 THR HA H 46 4.027 4.096 -0.069 1
1 496 . 18 1 1 A 46 46 THR C C 46 176.217 175.467 0.750 1
1 497 . 18 1 1 A 46 46 THR CA C 46 65.173 65.524 -0.351 1
1 498 . 18 1 1 A 46 46 THR CB C 46 69.680 68.591 1.089 1
1 500 . 18 1 1 A 46 46 THR N N 46 109.149 115.444 -6.295 1
1 501 . 18 1 1 A 47 47 ASN H H 47 8.170 7.797 0.373 1
1 502 . 18 1 1 A 47 47 ASN HA H 47 4.785 4.762 0.023 1
1 505 . 18 1 1 A 47 47 ASN C C 47 175.267 175.098 0.169 1
1 506 . 18 1 1 A 47 47 ASN CA C 47 54.213 54.153 0.060 1
1 507 . 18 1 1 A 47 47 ASN CB C 47 40.712 40.084 0.628 1
1 508 . 18 1 1 A 47 47 ASN N N 47 116.045 117.461 -1.416 1
1 509 . 18 1 1 A 48 48 TYR H H 48 8.094 7.723 0.371 1
1 510 . 18 1 1 A 48 48 TYR HA H 48 4.695 4.908 -0.213 1
1 513 . 18 1 1 A 48 48 TYR C C 48 175.011 174.572 0.439 1
1 514 . 18 1 1 A 48 48 TYR CA C 48 60.273 56.959 3.314 1
1 515 . 18 1 1 A 48 48 TYR CB C 48 41.189 38.317 2.872 1
1 516 . 18 1 1 A 48 48 TYR N N 48 115.849 116.531 -0.682 1
1 517 . 18 1 1 A 49 49 VAL H H 49 7.769 7.668 0.101 1
1 518 . 18 1 1 A 49 49 VAL HA H 49 3.715 4.571 -0.856 1
1 526 . 18 1 1 A 49 49 VAL C C 49 176.157 175.479 0.678 1
1 527 . 18 1 1 A 49 49 VAL CA C 49 63.454 60.019 3.435 1
1 528 . 18 1 1 A 49 49 VAL CB C 49 31.695 34.088 -2.393 1
1 531 . 18 1 1 A 49 49 VAL N N 49 120.510 121.645 -1.135 1
1 532 . 18 1 1 A 50 50 LYS H H 50 8.334 8.789 -0.455 1
1 533 . 18 1 1 A 50 50 LYS HA H 50 4.242 4.628 -0.386 1
1 542 . 18 1 1 A 50 50 LYS C C 50 176.562 175.464 1.098 1
1 543 . 18 1 1 A 50 50 LYS CA C 50 55.979 55.728 0.251 1
1 544 . 18 1 1 A 50 50 LYS CB C 50 32.822 33.115 -0.293 1
1 548 . 18 1 1 A 50 50 LYS N N 50 125.933 126.605 -0.672 1
1 549 . 18 1 1 A 51 51 GLU H H 51 7.598 7.706 -0.108 1
1 550 . 18 1 1 A 51 51 GLU HA H 51 4.328 4.569 -0.241 1
1 553 . 18 1 1 A 51 51 GLU C C 51 172.975 174.589 -1.614 1
1 554 . 18 1 1 A 51 51 GLU CA C 51 55.074 55.447 -0.373 1
1 555 . 18 1 1 A 51 51 GLU CB C 51 32.633 33.141 -0.508 1
1 557 . 18 1 1 A 51 51 GLU N N 51 117.804 119.565 -1.761 1
1 558 . 18 1 1 A 52 52 ARG H H 52 8.383 8.421 -0.038 1
1 559 . 18 1 1 A 52 52 ARG CA C 52 53.279 54.584 -1.305 1
1 560 . 18 1 1 A 52 52 ARG CB C 52 26.615 30.489 -3.874 1
1 561 . 18 1 1 A 52 52 ARG N N 52 111.793 122.635 -10.842 1
1 562 . 18 1 1 A 53 53 PRO HA H 53 4.029 4.301 -0.272 1
1 569 . 18 1 1 A 53 53 PRO C C 53 177.018 177.180 -0.162 1
1 570 . 18 1 1 A 53 53 PRO CA C 53 65.474 65.149 0.325 1
1 571 . 18 1 1 A 53 53 PRO CB C 53 30.916 31.918 -1.002 1
1 574 . 18 1 1 A 53 53 PRO N N 53 111.793 139.370 -27.577 1
1 575 . 18 1 1 A 54 54 ASP H H 54 8.462 8.334 0.128 1
1 576 . 18 1 1 A 54 54 ASP HA H 54 4.345 4.704 -0.359 1
1 579 . 18 1 1 A 54 54 ASP C C 54 176.493 176.952 -0.459 1
1 580 . 18 1 1 A 54 54 ASP CA C 54 54.982 53.885 1.097 1
1 581 . 18 1 1 A 54 54 ASP CB C 54 39.451 40.860 -1.409 1
1 582 . 18 1 1 A 54 54 ASP N N 54 113.848 117.794 -3.946 1
1 583 . 18 1 1 A 55 55 LEU H H 55 7.766 8.173 -0.407 1
1 584 . 18 1 1 A 55 55 LEU HA H 55 4.235 3.977 0.258 1
1 594 . 18 1 1 A 55 55 LEU C C 55 175.873 178.573 -2.700 1
1 595 . 18 1 1 A 55 55 LEU CA C 55 55.305 57.529 -2.224 1
1 596 . 18 1 1 A 55 55 LEU CB C 55 41.271 41.430 -0.159 1
1 600 . 18 1 1 A 55 55 LEU N N 55 117.721 118.532 -0.811 1
1 601 . 18 1 1 A 56 56 LEU H H 56 7.630 7.632 -0.002 1
1 602 . 18 1 1 A 56 56 LEU HA H 56 4.552 4.292 0.260 1
1 612 . 18 1 1 A 56 56 LEU C C 56 175.341 176.996 -1.655 1
1 613 . 18 1 1 A 56 56 LEU CA C 56 55.516 56.372 -0.856 1
1 614 . 18 1 1 A 56 56 LEU CB C 56 44.910 42.568 2.342 1
1 618 . 18 1 1 A 56 56 LEU N N 56 118.796 116.394 2.402 1
1 619 . 18 1 1 A 57 57 VAL H H 57 7.206 7.298 -0.092 1
1 620 . 18 1 1 A 57 57 VAL HA H 57 5.048 3.966 1.082 1
1 628 . 18 1 1 A 57 57 VAL C C 57 175.020 175.937 -0.917 1
1 629 . 18 1 1 A 57 57 VAL CA C 57 58.550 62.087 -3.537 1
1 630 . 18 1 1 A 57 57 VAL CB C 57 35.049 32.548 2.501 1
1 633 . 18 1 1 A 57 57 VAL N N 57 106.872 119.593 -12.721 1
1 634 . 18 1 1 A 58 58 ASP H H 58 8.447 9.359 -0.912 1
1 635 . 18 1 1 A 58 58 ASP HA H 58 4.459 4.284 0.175 1
1 638 . 18 1 1 A 58 58 ASP C C 58 177.406 177.191 0.215 1
1 639 . 18 1 1 A 58 58 ASP CA C 58 53.130 56.914 -3.784 1
1 640 . 18 1 1 A 58 58 ASP CB C 58 40.985 41.213 -0.228 1
1 641 . 18 1 1 A 58 58 ASP N N 58 118.741 123.904 -5.163 1
1 642 . 18 1 1 A 59 59 GLN H H 59 8.883 7.911 0.972 1
1 643 . 18 1 1 A 59 59 GLN HA H 59 4.031 4.598 -0.567 1
1 648 . 18 1 1 A 59 59 GLN C C 59 177.499 177.061 0.438 1
1 649 . 18 1 1 A 59 59 GLN CA C 59 59.120 57.300 1.820 1
1 650 . 18 1 1 A 59 59 GLN CB C 59 28.389 31.338 -2.949 1
1 652 . 18 1 1 A 59 59 GLN N N 59 119.603 117.220 2.383 1
1 653 . 18 1 1 A 60 60 THR H H 60 8.060 7.996 0.064 1
1 654 . 18 1 1 A 60 60 THR HA H 60 4.296 4.430 -0.134 1
1 659 . 18 1 1 A 60 60 THR C C 60 176.363 174.829 1.534 1
1 660 . 18 1 1 A 60 60 THR CA C 60 63.358 62.408 0.950 1
1 661 . 18 1 1 A 60 60 THR CB C 60 70.577 69.161 1.416 1
1 663 . 18 1 1 A 60 60 THR N N 60 109.323 114.156 -4.833 1
1 664 . 18 1 1 A 61 61 GLY H H 61 8.001 7.993 0.008 1
1 665 . 18 1 1 A 61 61 GLY HA2 H 61 4.173 3.882 0.291 1
1 666 . 18 1 1 A 61 61 GLY HA3 H 61 3.610 3.885 -0.275 1
1 667 . 18 1 1 A 61 61 GLY C C 61 174.049 173.902 0.147 1
1 668 . 18 1 1 A 61 61 GLY CA C 61 45.301 46.386 -1.085 1
1 669 . 18 1 1 A 61 61 GLY N N 61 109.323 110.034 -0.711 1
1 670 . 18 1 1 A 62 62 GLN H H 62 8.091 8.042 0.049 1
1 671 . 18 1 1 A 62 62 GLN HA H 62 4.172 4.632 -0.460 1
1 674 . 18 1 1 A 62 62 GLN C C 62 175.201 175.299 -0.098 1
1 675 . 18 1 1 A 62 62 GLN CA C 62 56.474 56.821 -0.347 1
1 676 . 18 1 1 A 62 62 GLN CB C 62 30.618 31.688 -1.070 1
1 678 . 18 1 1 A 62 62 GLN N N 62 117.247 119.065 -1.818 1
1 679 . 18 1 1 A 63 63 THR H H 63 7.740 7.785 -0.045 1
1 680 . 18 1 1 A 63 63 THR HA H 63 4.624 4.803 -0.179 1
1 685 . 18 1 1 A 63 63 THR C C 63 172.622 174.397 -1.775 1
1 686 . 18 1 1 A 63 63 THR CA C 63 59.718 60.603 -0.885 1
1 687 . 18 1 1 A 63 63 THR CB C 63 70.832 70.069 0.763 1
1 689 . 18 1 1 A 63 63 THR N N 63 113.860 114.271 -0.411 1
1 690 . 18 1 1 A 64 64 LEU H H 64 8.364 8.932 -0.568 1
1 691 . 18 1 1 A 64 64 LEU HA H 64 4.324 4.248 0.076 1
1 701 . 18 1 1 A 64 64 LEU C C 64 176.311 177.119 -0.808 1
1 702 . 18 1 1 A 64 64 LEU CA C 64 55.025 55.304 -0.279 1
1 703 . 18 1 1 A 64 64 LEU CB C 64 43.871 42.312 1.559 1
1 707 . 18 1 1 A 64 64 LEU N N 64 123.689 128.924 -5.235 1
1 708 . 18 1 1 A 65 65 ARG H H 65 8.192 9.041 -0.849 1
1 709 . 18 1 1 A 65 65 ARG C C 65 173.609 176.473 -2.864 1
1 710 . 18 1 1 A 65 65 ARG CA C 65 55.287 55.298 -0.011 1
1 711 . 18 1 1 A 65 65 ARG CB C 65 29.681 30.348 -0.667 1
1 712 . 18 1 1 A 65 65 ARG N N 65 126.639 121.845 4.794 1
1 713 . 18 1 1 A 66 66 PRO HA H 66 4.390 4.311 0.079 1
1 720 . 18 1 1 A 66 66 PRO C C 66 177.030 178.897 -1.867 1
1 721 . 18 1 1 A 66 66 PRO CA C 66 63.719 65.450 -1.731 1
1 722 . 18 1 1 A 66 66 PRO CB C 66 31.825 31.900 -0.075 1
1 725 . 18 1 1 A 66 66 PRO N N 66 126.639 137.585 -10.946 1
1 726 . 18 1 1 A 67 67 GLY H H 67 8.744 8.462 0.282 1
1 727 . 18 1 1 A 67 67 GLY HA2 H 67 4.232 3.920 0.312 1
1 728 . 18 1 1 A 67 67 GLY HA3 H 67 3.544 3.930 -0.386 1
1 729 . 18 1 1 A 67 67 GLY C C 67 174.319 174.717 -0.398 1
1 730 . 18 1 1 A 67 67 GLY CA C 67 44.818 47.038 -2.220 1
1 731 . 18 1 1 A 68 68 ILE H H 68 7.522 7.737 -0.215 1
1 732 . 18 1 1 A 68 68 ILE HA H 68 4.690 4.511 0.179 1
1 742 . 18 1 1 A 68 68 ILE C C 68 174.703 175.403 -0.700 1
1 743 . 18 1 1 A 68 68 ILE CA C 68 61.047 60.871 0.176 1
1 744 . 18 1 1 A 68 68 ILE CB C 68 38.090 37.789 0.301 1
1 748 . 18 1 1 A 68 68 ILE N N 68 121.049 120.335 0.714 1
1 749 . 18 1 1 A 69 69 LEU H H 69 9.207 9.768 -0.561 1
1 750 . 18 1 1 A 69 69 LEU HA H 69 4.449 4.906 -0.457 1
1 760 . 18 1 1 A 69 69 LEU C C 69 174.991 175.964 -0.973 1
1 761 . 18 1 1 A 69 69 LEU CA C 69 54.106 53.700 0.406 1
1 762 . 18 1 1 A 69 69 LEU CB C 69 43.588 41.767 1.821 1
1 766 . 18 1 1 A 69 69 LEU N N 69 131.197 129.216 1.981 1
1 767 . 18 1 1 A 70 70 VAL H H 70 8.149 8.643 -0.494 1
1 768 . 18 1 1 A 70 70 VAL HA H 70 4.955 4.575 0.380 1
1 776 . 18 1 1 A 70 70 VAL C C 70 175.167 175.190 -0.023 1
1 777 . 18 1 1 A 70 70 VAL CA C 70 59.928 62.363 -2.435 1
1 778 . 18 1 1 A 70 70 VAL CB C 70 33.239 32.046 1.193 1
1 781 . 18 1 1 A 70 70 VAL N N 70 121.953 125.257 -3.304 1
1 782 . 18 1 1 A 71 71 LEU H H 71 8.881 8.017 0.864 1
1 783 . 18 1 1 A 71 71 LEU HA H 71 4.922 5.055 -0.133 1
1 793 . 18 1 1 A 71 71 LEU C C 71 176.487 175.895 0.592 1
1 794 . 18 1 1 A 71 71 LEU CA C 71 52.627 53.558 -0.931 1
1 795 . 18 1 1 A 71 71 LEU CB C 71 44.487 45.791 -1.304 1
1 799 . 18 1 1 A 71 71 LEU N N 71 126.071 126.551 -0.480 1
1 800 . 18 1 1 A 72 72 VAL H H 72 9.048 9.430 -0.382 1
1 801 . 18 1 1 A 72 72 VAL HA H 72 4.351 4.702 -0.351 1
1 809 . 18 1 1 A 72 72 VAL C C 72 176.078 175.766 0.312 1
1 810 . 18 1 1 A 72 72 VAL CA C 72 60.886 61.084 -0.198 1
1 811 . 18 1 1 A 72 72 VAL CB C 72 33.141 33.515 -0.374 1
1 814 . 18 1 1 A 72 72 VAL N N 72 120.969 123.077 -2.108 1
1 815 . 18 1 1 A 73 73 ASN H H 73 9.630 8.815 0.815 1
1 816 . 18 1 1 A 73 73 ASN HA H 73 4.335 4.252 0.083 1
1 821 . 18 1 1 A 73 73 ASN C C 73 175.496 174.473 1.023 1
1 822 . 18 1 1 A 73 73 ASN CA C 73 54.736 55.477 -0.741 1
1 823 . 18 1 1 A 73 73 ASN CB C 73 36.825 37.200 -0.375 1
1 824 . 18 1 1 A 73 73 ASN N N 73 129.082 124.230 4.852 1
1 825 . 18 1 1 A 74 74 SER H H 74 9.308 8.307 1.001 1
1 826 . 18 1 1 A 74 74 SER C C 74 172.584 173.112 -0.528 1
1 827 . 18 1 1 A 74 74 SER N N 74 106.084 113.909 -7.825 1
1 828 . 18 1 1 A 75 75 CYS H H 75 7.845 7.405 0.440 1
1 829 . 18 1 1 A 75 75 CYS C C 75 176.045 172.793 3.252 1
1 830 . 18 1 1 A 75 75 CYS CA C 75 57.152 58.007 -0.855 1
1 831 . 18 1 1 A 75 75 CYS CB C 75 29.101 31.041 -1.940 1
1 832 . 18 1 1 A 75 75 CYS N N 75 120.460 121.021 -0.561 1
1 833 . 18 1 1 A 76 76 ASP H H 76 8.766 8.549 0.217 1
1 834 . 18 1 1 A 76 76 ASP HA H 76 4.295 4.529 -0.234 1
1 837 . 18 1 1 A 76 76 ASP C C 76 177.713 177.427 0.286 1
1 838 . 18 1 1 A 76 76 ASP CA C 76 55.721 54.899 0.822 1
1 839 . 18 1 1 A 76 76 ASP CB C 76 41.513 41.087 0.426 1
1 840 . 18 1 1 A 76 76 ASP N N 76 126.661 123.938 2.723 1
1 841 . 18 1 1 A 77 77 ALA H H 77 8.555 9.373 -0.818 1
1 842 . 18 1 1 A 77 77 ALA HA H 77 3.688 3.979 -0.291 1
1 846 . 18 1 1 A 77 77 ALA C C 77 180.149 179.089 1.060 1
1 847 . 18 1 1 A 77 77 ALA CA C 77 54.334 54.032 0.302 1
1 848 . 18 1 1 A 77 77 ALA CB C 77 18.453 18.506 -0.053 1
1 849 . 18 1 1 A 77 77 ALA N N 77 128.302 125.151 3.151 1
1 850 . 18 1 1 A 78 78 GLU H H 78 9.034 7.805 1.229 1
1 851 . 18 1 1 A 78 78 GLU HA H 78 3.763 4.107 -0.344 1
1 856 . 18 1 1 A 78 78 GLU C C 78 179.359 179.027 0.332 1
1 857 . 18 1 1 A 78 78 GLU CA C 78 59.569 58.959 0.610 1
1 858 . 18 1 1 A 78 78 GLU CB C 78 29.511 29.319 0.192 1
1 860 . 18 1 1 A 78 78 GLU N N 78 117.499 118.482 -0.983 1
1 861 . 18 1 1 A 79 79 VAL H H 79 7.753 7.853 -0.100 1
1 862 . 18 1 1 A 79 79 VAL HA H 79 3.927 3.621 0.306 1
1 870 . 18 1 1 A 79 79 VAL C C 79 177.408 178.125 -0.717 1
1 871 . 18 1 1 A 79 79 VAL CA C 79 64.439 66.275 -1.836 1
1 872 . 18 1 1 A 79 79 VAL CB C 79 31.904 31.559 0.345 1
1 875 . 18 1 1 A 79 79 VAL N N 79 115.536 120.877 -5.341 1
1 876 . 18 1 1 A 80 80 VAL H H 80 7.123 7.617 -0.494 1
1 877 . 18 1 1 A 80 80 VAL HA H 80 4.443 4.145 0.298 1
1 885 . 18 1 1 A 80 80 VAL C C 80 175.020 176.686 -1.666 1
1 886 . 18 1 1 A 80 80 VAL CA C 80 60.286 64.168 -3.882 1
1 887 . 18 1 1 A 80 80 VAL CB C 80 30.948 32.015 -1.067 1
1 890 . 18 1 1 A 80 80 VAL N N 80 109.738 115.552 -5.814 1
1 891 . 18 1 1 A 81 81 GLY H H 81 7.210 7.319 -0.109 1
1 892 . 18 1 1 A 81 81 GLY HA2 H 81 4.511 3.983 0.528 1
1 893 . 18 1 1 A 81 81 GLY HA3 H 81 3.664 4.014 -0.350 1
1 894 . 18 1 1 A 81 81 GLY C C 81 175.262 175.400 -0.138 1
1 895 . 18 1 1 A 81 81 GLY CA C 81 44.964 45.512 -0.548 1
1 896 . 18 1 1 A 81 81 GLY N N 81 106.697 109.060 -2.363 1
1 897 . 18 1 1 A 82 82 GLY H H 82 8.673 8.633 0.040 1
1 898 . 18 1 1 A 82 82 GLY HA2 H 82 4.022 4.016 0.006 1
1 899 . 18 1 1 A 82 82 GLY HA3 H 82 3.150 4.033 -0.883 1
1 900 . 18 1 1 A 82 82 GLY C C 82 174.547 174.641 -0.094 1
1 901 . 18 1 1 A 82 82 GLY CA C 82 45.151 46.125 -0.974 1
1 902 . 18 1 1 A 82 82 GLY N N 82 111.931 108.096 3.835 1
1 903 . 18 1 1 A 83 83 MET H H 83 8.841 8.482 0.359 1
1 904 . 18 1 1 A 83 83 MET HA H 83 4.582 4.688 -0.106 1
1 909 . 18 1 1 A 83 83 MET C C 83 176.001 175.533 0.468 1
1 910 . 18 1 1 A 83 83 MET CA C 83 55.737 54.947 0.790 1
1 911 . 18 1 1 A 83 83 MET CB C 83 30.273 33.668 -3.395 1
1 913 . 18 1 1 A 83 83 MET N N 83 119.840 123.253 -3.413 1
1 914 . 18 1 1 A 84 84 ASP H H 84 7.395 8.271 -0.876 1
1 915 . 18 1 1 A 84 84 ASP HA H 84 4.695 5.010 -0.315 1
1 918 . 18 1 1 A 84 84 ASP C C 84 176.694 174.926 1.768 1
1 919 . 18 1 1 A 84 84 ASP CA C 84 54.300 53.079 1.221 1
1 920 . 18 1 1 A 84 84 ASP CB C 84 41.551 41.773 -0.222 1
1 921 . 18 1 1 A 84 84 ASP N N 84 114.478 121.031 -6.553 1
1 922 . 18 1 1 A 85 85 TYR H H 85 7.930 7.976 -0.046 1
1 923 . 18 1 1 A 85 85 TYR HA H 85 4.148 4.832 -0.684 1
1 926 . 18 1 1 A 85 85 TYR C C 85 173.845 175.111 -1.266 1
1 927 . 18 1 1 A 85 85 TYR CA C 85 59.520 57.253 2.267 1
1 928 . 18 1 1 A 85 85 TYR CB C 85 38.105 39.088 -0.983 1
1 929 . 18 1 1 A 85 85 TYR N N 85 123.769 121.811 1.958 1
1 930 . 18 1 1 A 86 86 VAL H H 86 7.755 8.063 -0.308 1
1 931 . 18 1 1 A 86 86 VAL HA H 86 3.402 4.065 -0.663 1
1 939 . 18 1 1 A 86 86 VAL C C 86 173.896 175.461 -1.565 1
1 940 . 18 1 1 A 86 86 VAL CA C 86 62.779 61.781 0.998 1
1 941 . 18 1 1 A 86 86 VAL CB C 86 31.843 32.493 -0.650 1
1 944 . 18 1 1 A 86 86 VAL N N 86 130.130 124.472 5.658 1
1 945 . 18 1 1 A 87 87 LEU H H 87 7.069 8.914 -1.845 1
1 946 . 18 1 1 A 87 87 LEU HA H 87 3.833 4.783 -0.950 1
1 956 . 18 1 1 A 87 87 LEU C C 87 176.432 176.225 0.207 1
1 957 . 18 1 1 A 87 87 LEU CA C 87 55.977 53.558 2.419 1
1 958 . 18 1 1 A 87 87 LEU CB C 87 42.126 42.264 -0.138 1
1 962 . 18 1 1 A 87 87 LEU N N 87 121.577 126.749 -5.172 1
1 963 . 18 1 1 A 88 88 ASN H H 88 8.705 8.822 -0.117 1
1 964 . 18 1 1 A 88 88 ASN HA H 88 4.717 5.052 -0.335 1
1 967 . 18 1 1 A 88 88 ASN C C 88 173.156 174.238 -1.082 1
1 968 . 18 1 1 A 88 88 ASN CA C 88 51.471 52.717 -1.246 1
1 969 . 18 1 1 A 88 88 ASN CB C 88 41.622 38.449 3.173 1
1 970 . 18 1 1 A 88 88 ASN N N 88 120.561 122.716 -2.155 1
1 971 . 18 1 1 A 89 89 ASP H H 89 8.482 8.325 0.157 1
1 972 . 18 1 1 A 89 89 ASP HA H 89 3.937 4.409 -0.472 1
1 975 . 18 1 1 A 89 89 ASP C C 89 178.751 175.801 2.950 1
1 976 . 18 1 1 A 89 89 ASP CA C 89 56.268 55.134 1.134 1
1 977 . 18 1 1 A 89 89 ASP CB C 89 40.380 39.929 0.451 1
1 978 . 18 1 1 A 89 89 ASP N N 89 122.084 116.412 5.672 1
1 979 . 18 1 1 A 90 90 GLY H H 90 9.334 8.446 0.888 1
1 980 . 18 1 1 A 90 90 GLY HA2 H 90 4.314 3.999 0.315 1
1 981 . 18 1 1 A 90 90 GLY HA3 H 90 3.619 4.008 -0.389 1
1 982 . 18 1 1 A 90 90 GLY C C 90 174.907 173.580 1.327 1
1 983 . 18 1 1 A 90 90 GLY CA C 90 45.076 45.221 -0.145 1
1 984 . 18 1 1 A 90 90 GLY N N 90 117.218 112.898 4.320 1
1 985 . 18 1 1 A 91 91 ASP H H 91 7.987 7.904 0.083 1
1 986 . 18 1 1 A 91 91 ASP HA H 91 4.745 5.037 -0.292 1
1 989 . 18 1 1 A 91 91 ASP C C 91 175.436 175.405 0.031 1
1 990 . 18 1 1 A 91 91 ASP CA C 91 55.954 52.833 3.121 1
1 991 . 18 1 1 A 91 91 ASP CB C 91 41.876 43.224 -1.348 1
1 992 . 18 1 1 A 91 91 ASP N N 91 122.336 120.905 1.431 1
1 993 . 18 1 1 A 92 92 THR H H 92 8.227 8.151 0.076 1
1 994 . 18 1 1 A 92 92 THR HA H 92 5.093 4.936 0.157 1
1 999 . 18 1 1 A 92 92 THR C C 92 173.702 172.808 0.894 1
1 1000 . 18 1 1 A 92 92 THR CA C 92 61.477 62.096 -0.619 1
1 1001 . 18 1 1 A 92 92 THR CB C 92 70.032 69.727 0.305 1
1 1003 . 18 1 1 A 92 92 THR N N 92 115.456 119.092 -3.636 1
1 1004 . 18 1 1 A 93 93 VAL H H 93 9.039 9.043 -0.004 1
1 1005 . 18 1 1 A 93 93 VAL HA H 93 4.731 4.966 -0.235 1
1 1013 . 18 1 1 A 93 93 VAL C C 93 173.391 173.755 -0.364 1
1 1014 . 18 1 1 A 93 93 VAL CA C 93 59.984 59.234 0.750 1
1 1015 . 18 1 1 A 93 93 VAL CB C 93 33.978 34.091 -0.113 1
1 1018 . 18 1 1 A 93 93 VAL N N 93 129.109 127.244 1.865 1
1 1019 . 18 1 1 A 94 94 GLU H H 94 9.012 8.388 0.624 1
1 1020 . 18 1 1 A 94 94 GLU HA H 94 4.941 4.729 0.212 1
1 1025 . 18 1 1 A 94 94 GLU C C 94 173.669 174.913 -1.244 1
1 1026 . 18 1 1 A 94 94 GLU CA C 94 53.577 54.239 -0.662 1
1 1027 . 18 1 1 A 94 94 GLU CB C 94 32.853 33.273 -0.420 1
1 1029 . 18 1 1 A 94 94 GLU N N 94 126.881 126.943 -0.062 1
1 1030 . 18 1 1 A 95 95 PHE H H 95 9.012 8.442 0.570 1
1 1031 . 18 1 1 A 95 95 PHE HA H 95 4.941 5.138 -0.197 1
1 1034 . 18 1 1 A 95 95 PHE C C 95 174.687 174.572 0.115 1
1 1035 . 18 1 1 A 95 95 PHE CA C 95 56.843 56.422 0.421 1
1 1036 . 18 1 1 A 95 95 PHE CB C 95 40.889 40.622 0.267 1
1 1037 . 18 1 1 A 95 95 PHE N N 95 122.718 119.520 3.198 1
1 1038 . 18 1 1 A 96 96 ILE H H 96 9.292 9.318 -0.026 1
1 1039 . 18 1 1 A 96 96 ILE HA H 96 4.573 4.966 -0.393 1
1 1049 . 18 1 1 A 96 96 ILE C C 96 175.897 175.190 0.707 1
1 1050 . 18 1 1 A 96 96 ILE CA C 96 59.748 60.614 -0.866 1
1 1051 . 18 1 1 A 96 96 ILE CB C 96 40.938 38.110 2.828 1
1 1055 . 18 1 1 A 96 96 ILE N N 96 123.112 125.797 -2.685 1
1 1056 . 18 1 1 A 97 97 SER H H 97 8.245 8.921 -0.676 1
1 1057 . 18 1 1 A 97 97 SER HA H 97 4.800 4.936 -0.136 1
1 1060 . 18 1 1 A 97 97 SER C C 97 175.130 174.809 0.321 1
1 1061 . 18 1 1 A 97 97 SER CA C 97 58.154 58.789 -0.635 1
1 1062 . 18 1 1 A 97 97 SER CB C 97 63.137 64.074 -0.937 1
1 1063 . 18 1 1 A 97 97 SER N N 97 121.343 124.501 -3.158 1
1 1064 . 18 1 1 A 98 98 THR H H 98 8.181 8.514 -0.333 1
1 1065 . 18 1 1 A 98 98 THR HA H 98 4.549 4.598 -0.049 1
1 1070 . 18 1 1 A 98 98 THR C C 98 174.729 174.501 0.228 1
1 1071 . 18 1 1 A 98 98 THR CA C 98 61.603 62.290 -0.687 1
1 1072 . 18 1 1 A 98 98 THR CB C 98 69.890 70.326 -0.436 1
1 1074 . 18 1 1 A 98 98 THR N N 98 116.451 114.703 1.748 1
1 1075 . 18 1 1 A 99 99 LEU H H 99 8.033 7.723 0.310 1
1 1076 . 18 1 1 A 99 99 LEU HA H 99 4.234 4.420 -0.186 1
1 1086 . 18 1 1 A 99 99 LEU C C 99 177.349 176.090 1.259 1
1 1087 . 18 1 1 A 99 99 LEU CA C 99 55.517 55.419 0.098 1
1 1088 . 18 1 1 A 99 99 LEU CB C 99 41.996 42.791 -0.795 1
1 1092 . 18 1 1 A 99 99 LEU N N 99 122.869 122.506 0.363 1
1 1093 . 18 1 1 A 100 100 HIS H H 100 8.558 9.198 -0.640 1
1 1094 . 18 1 1 A 100 100 HIS HA H 100 4.460 4.530 -0.070 1
1 1097 . 18 1 1 A 100 100 HIS C C 100 175.718 176.191 -0.473 1
1 1098 . 18 1 1 A 100 100 HIS CA C 100 56.096 58.249 -2.153 1
1 1099 . 18 1 1 A 100 100 HIS CB C 100 29.709 31.258 -1.549 1
1 1100 . 18 1 1 A 100 100 HIS N N 100 120.437 127.393 -6.956 1
1 1101 . 18 1 1 A 101 101 GLY H H 101 8.477 7.632 0.845 1
1 1102 . 18 1 1 A 101 101 GLY HA2 H 101 3.888 4.026 -0.138 1
1 1103 . 18 1 1 A 101 101 GLY HA3 H 101 3.888 4.050 -0.162 1
1 1104 . 18 1 1 A 101 101 GLY C C 101 174.614 173.485 1.129 1
1 1105 . 18 1 1 A 101 101 GLY CA C 101 45.529 45.775 -0.246 1
1 1106 . 18 1 1 A 101 101 GLY N N 101 110.340 106.135 4.205 1
1 7 . 19 1 1 A 2 2 SER H H 2 8.206 8.830 -0.624 1
1 8 . 19 1 1 A 2 2 SER N N 2 126.498 119.455 7.043 1
1 9 . 19 1 1 A 3 3 ASN HA H 3 5.166 5.210 -0.044 1
1 12 . 19 1 1 A 3 3 ASN C C 3 175.527 174.133 1.394 1
1 13 . 19 1 1 A 3 3 ASN CA C 3 51.466 53.086 -1.620 1
1 14 . 19 1 1 A 3 3 ASN CB C 3 39.931 40.079 -0.148 1
1 15 . 19 1 1 A 4 4 HIS H H 4 8.859 9.132 -0.273 1
1 16 . 19 1 1 A 4 4 HIS HA H 4 4.165 4.899 -0.734 1
1 19 . 19 1 1 A 4 4 HIS C C 4 175.897 175.149 0.748 1
1 20 . 19 1 1 A 4 4 HIS CA C 4 56.644 54.858 1.786 1
1 21 . 19 1 1 A 4 4 HIS CB C 4 30.122 30.633 -0.511 1
1 22 . 19 1 1 A 4 4 HIS N N 4 120.656 121.085 -0.429 1
1 23 . 19 1 1 A 5 5 ASN H H 5 8.263 7.748 0.515 1
1 24 . 19 1 1 A 5 5 ASN HA H 5 4.274 4.577 -0.303 1
1 27 . 19 1 1 A 5 5 ASN C C 5 177.939 174.517 3.422 1
1 28 . 19 1 1 A 5 5 ASN CA C 5 57.261 52.400 4.861 1
1 29 . 19 1 1 A 5 5 ASN CB C 5 38.232 39.600 -1.368 1
1 30 . 19 1 1 A 5 5 ASN N N 5 121.699 117.484 4.215 1
1 31 . 19 1 1 A 6 6 HIS H H 6 9.675 8.166 1.509 1
1 32 . 19 1 1 A 6 6 HIS HA H 6 5.261 5.113 0.148 1
1 35 . 19 1 1 A 6 6 HIS C C 6 171.876 172.091 -0.215 1
1 36 . 19 1 1 A 6 6 HIS CA C 6 56.016 54.665 1.351 1
1 37 . 19 1 1 A 6 6 HIS CB C 6 31.324 31.325 -0.001 1
1 38 . 19 1 1 A 6 6 HIS N N 6 117.245 116.060 1.185 1
1 39 . 19 1 1 A 7 7 ILE H H 7 7.753 8.572 -0.819 1
1 40 . 19 1 1 A 7 7 ILE HA H 7 4.442 4.926 -0.484 1
1 50 . 19 1 1 A 7 7 ILE C C 7 174.518 174.789 -0.271 1
1 51 . 19 1 1 A 7 7 ILE CA C 7 57.922 59.641 -1.719 1
1 52 . 19 1 1 A 7 7 ILE CB C 7 39.790 41.923 -2.133 1
1 56 . 19 1 1 A 7 7 ILE N N 7 126.114 119.316 6.798 1
1 57 . 19 1 1 A 8 8 THR H H 8 8.238 9.164 -0.926 1
1 58 . 19 1 1 A 8 8 THR HA H 8 4.733 4.987 -0.254 1
1 63 . 19 1 1 A 8 8 THR C C 8 172.672 173.464 -0.792 1
1 64 . 19 1 1 A 8 8 THR CA C 8 62.203 61.795 0.408 1
1 65 . 19 1 1 A 8 8 THR CB C 8 70.202 70.219 -0.017 1
1 67 . 19 1 1 A 8 8 THR N N 8 123.879 120.961 2.918 1
1 68 . 19 1 1 A 9 9 VAL H H 9 8.717 8.431 0.286 1
1 69 . 19 1 1 A 9 9 VAL HA H 9 5.165 4.704 0.461 1
1 77 . 19 1 1 A 9 9 VAL C C 9 173.545 173.583 -0.038 1
1 78 . 19 1 1 A 9 9 VAL CA C 9 59.279 60.099 -0.820 1
1 79 . 19 1 1 A 9 9 VAL CB C 9 33.495 34.199 -0.704 1
1 82 . 19 1 1 A 9 9 VAL N N 9 124.808 125.378 -0.570 1
1 83 . 19 1 1 A 10 10 GLN H H 10 8.863 8.347 0.516 1
1 84 . 19 1 1 A 10 10 GLN HA H 10 4.841 4.714 0.127 1
1 87 . 19 1 1 A 10 10 GLN C C 10 173.774 173.544 0.230 1
1 88 . 19 1 1 A 10 10 GLN CA C 10 53.092 53.394 -0.302 1
1 89 . 19 1 1 A 10 10 GLN CB C 10 32.226 32.551 -0.325 1
1 91 . 19 1 1 A 10 10 GLN N N 10 123.709 125.541 -1.832 1
1 92 . 19 1 1 A 11 11 PHE H H 11 8.252 8.231 0.021 1
1 93 . 19 1 1 A 11 11 PHE HA H 11 5.661 5.517 0.144 1
1 96 . 19 1 1 A 11 11 PHE C C 11 175.180 175.017 0.163 1
1 97 . 19 1 1 A 11 11 PHE CA C 11 55.799 56.714 -0.915 1
1 98 . 19 1 1 A 11 11 PHE CB C 11 43.197 42.846 0.351 1
1 99 . 19 1 1 A 11 11 PHE N N 11 119.002 117.483 1.519 1
1 100 . 19 1 1 A 12 12 ALA H H 12 8.989 8.663 0.326 1
1 101 . 19 1 1 A 12 12 ALA HA H 12 4.971 5.031 -0.060 1
1 105 . 19 1 1 A 12 12 ALA C C 12 179.413 177.764 1.649 1
1 106 . 19 1 1 A 12 12 ALA CA C 12 51.675 51.323 0.352 1
1 107 . 19 1 1 A 12 12 ALA CB C 12 23.716 23.025 0.691 1
1 108 . 19 1 1 A 12 12 ALA N N 12 123.388 123.950 -0.562 1
1 109 . 19 1 1 A 13 13 GLY H H 13 9.188 8.954 0.234 1
1 110 . 19 1 1 A 13 13 GLY HA2 H 13 4.477 3.874 0.603 1
1 111 . 19 1 1 A 13 13 GLY HA3 H 13 3.937 3.878 0.059 1
1 112 . 19 1 1 A 13 13 GLY C C 13 173.600 175.078 -1.478 1
1 113 . 19 1 1 A 13 13 GLY CA C 13 46.252 47.267 -1.015 1
1 114 . 19 1 1 A 13 13 GLY N N 13 110.134 108.795 1.339 1
1 115 . 19 1 1 A 14 14 GLY H H 14 9.510 8.683 0.827 1
1 116 . 19 1 1 A 14 14 GLY HA2 H 14 4.600 4.161 0.439 1
1 117 . 19 1 1 A 14 14 GLY HA3 H 14 3.453 4.177 -0.724 1
1 118 . 19 1 1 A 14 14 GLY C C 14 177.136 174.761 2.375 1
1 119 . 19 1 1 A 14 14 GLY CA C 14 44.792 45.482 -0.690 1
1 120 . 19 1 1 A 14 14 GLY N N 14 109.966 113.675 -3.709 1
1 121 . 19 1 1 A 15 15 CYS H H 15 7.748 7.988 -0.240 1
1 122 . 19 1 1 A 15 15 CYS HA H 15 3.883 4.535 -0.652 1
1 125 . 19 1 1 A 15 15 CYS C C 15 175.011 176.267 -1.256 1
1 126 . 19 1 1 A 15 15 CYS CA C 15 62.034 59.499 2.535 1
1 127 . 19 1 1 A 15 15 CYS N N 15 121.082 117.376 3.706 1
1 128 . 19 1 1 A 16 16 GLU H H 16 7.837 8.430 -0.593 1
1 129 . 19 1 1 A 16 16 GLU HA H 16 4.009 3.679 0.330 1
1 134 . 19 1 1 A 16 16 GLU C C 16 178.419 177.408 1.011 1
1 135 . 19 1 1 A 16 16 GLU CA C 16 58.599 58.810 -0.211 1
1 136 . 19 1 1 A 16 16 GLU CB C 16 27.745 28.570 -0.825 1
1 138 . 19 1 1 A 16 16 GLU N N 16 120.416 119.942 0.474 1
1 139 . 19 1 1 A 17 17 LEU H H 17 7.626 7.846 -0.220 1
1 140 . 19 1 1 A 17 17 LEU HA H 17 3.927 4.143 -0.216 1
1 150 . 19 1 1 A 17 17 LEU C C 17 178.349 177.471 0.878 1
1 151 . 19 1 1 A 17 17 LEU CA C 17 57.105 56.267 0.838 1
1 152 . 19 1 1 A 17 17 LEU CB C 17 40.474 41.652 -1.178 1
1 156 . 19 1 1 A 17 17 LEU N N 17 122.648 120.520 2.128 1
1 157 . 19 1 1 A 18 18 LEU H H 18 7.488 7.484 0.004 1
1 158 . 19 1 1 A 18 18 LEU HA H 18 4.143 4.335 -0.192 1
1 168 . 19 1 1 A 18 18 LEU C C 18 175.859 176.538 -0.679 1
1 169 . 19 1 1 A 18 18 LEU CA C 18 55.729 54.328 1.401 1
1 170 . 19 1 1 A 18 18 LEU CB C 18 40.532 41.377 -0.845 1
1 174 . 19 1 1 A 18 18 LEU N N 18 117.565 117.582 -0.017 1
1 175 . 19 1 1 A 19 19 PHE H H 19 7.164 7.601 -0.437 1
1 176 . 19 1 1 A 19 19 PHE HA H 19 4.395 4.745 -0.350 1
1 179 . 19 1 1 A 19 19 PHE C C 19 176.362 175.392 0.970 1
1 180 . 19 1 1 A 19 19 PHE CA C 19 56.373 58.878 -2.505 1
1 181 . 19 1 1 A 19 19 PHE CB C 19 39.143 40.668 -1.525 1
1 182 . 19 1 1 A 19 19 PHE N N 19 117.899 120.205 -2.306 1
1 183 . 19 1 1 A 20 20 ALA H H 20 8.780 7.489 1.291 1
1 184 . 19 1 1 A 20 20 ALA HA H 20 4.087 4.417 -0.330 1
1 188 . 19 1 1 A 20 20 ALA C C 20 176.512 177.442 -0.930 1
1 189 . 19 1 1 A 20 20 ALA CA C 20 53.279 51.347 1.932 1
1 190 . 19 1 1 A 20 20 ALA CB C 20 17.047 19.153 -2.106 1
1 191 . 19 1 1 A 20 20 ALA N N 20 123.417 119.599 3.818 1
1 192 . 19 1 1 A 21 21 LYS H H 21 7.825 8.069 -0.244 1
1 193 . 19 1 1 A 21 21 LYS HA H 21 3.181 3.803 -0.622 1
1 202 . 19 1 1 A 21 21 LYS C C 21 175.295 175.432 -0.137 1
1 203 . 19 1 1 A 21 21 LYS CA C 21 58.666 57.469 1.197 1
1 204 . 19 1 1 A 21 21 LYS CB C 21 29.784 29.374 0.410 1
1 208 . 19 1 1 A 21 21 LYS N N 21 108.448 112.524 -4.076 1
1 209 . 19 1 1 A 22 22 GLN H H 22 7.611 8.171 -0.560 1
1 210 . 19 1 1 A 22 22 GLN HA H 22 4.429 4.388 0.041 1
1 215 . 19 1 1 A 22 22 GLN C C 22 174.967 177.242 -2.275 1
1 216 . 19 1 1 A 22 22 GLN CA C 22 56.105 56.088 0.017 1
1 217 . 19 1 1 A 22 22 GLN CB C 22 29.548 29.088 0.460 1
1 219 . 19 1 1 A 22 22 GLN N N 22 120.482 118.475 2.007 1
1 220 . 19 1 1 A 23 23 THR H H 23 8.201 8.598 -0.397 1
1 221 . 19 1 1 A 23 23 THR HA H 23 4.491 4.236 0.255 1
1 226 . 19 1 1 A 23 23 THR C C 23 175.012 174.951 0.061 1
1 227 . 19 1 1 A 23 23 THR CA C 23 62.436 64.852 -2.416 1
1 228 . 19 1 1 A 23 23 THR CB C 23 69.501 68.641 0.860 1
1 229 . 19 1 1 A 23 23 THR N N 23 110.354 117.289 -6.935 1
1 230 . 19 1 1 A 24 24 SER H H 24 7.751 7.859 -0.108 1
1 231 . 19 1 1 A 24 24 SER HA H 24 5.136 4.873 0.263 1
1 234 . 19 1 1 A 24 24 SER C C 24 172.623 172.531 0.092 1
1 235 . 19 1 1 A 24 24 SER CA C 24 57.192 56.943 0.249 1
1 236 . 19 1 1 A 24 24 SER CB C 24 65.459 66.359 -0.900 1
1 237 . 19 1 1 A 24 24 SER N N 24 114.575 113.787 0.788 1
1 238 . 19 1 1 A 25 25 LEU H H 25 9.272 8.787 0.485 1
1 239 . 19 1 1 A 25 25 LEU HA H 25 4.531 4.967 -0.436 1
1 249 . 19 1 1 A 25 25 LEU C C 25 174.436 175.202 -0.766 1
1 250 . 19 1 1 A 25 25 LEU CA C 25 53.929 53.655 0.274 1
1 251 . 19 1 1 A 25 25 LEU CB C 25 45.561 46.395 -0.834 1
1 255 . 19 1 1 A 25 25 LEU N N 25 124.288 121.500 2.788 1
1 256 . 19 1 1 A 26 26 GLN H H 26 8.573 8.820 -0.247 1
1 257 . 19 1 1 A 26 26 GLN HA H 26 4.607 5.610 -1.003 1
1 262 . 19 1 1 A 26 26 GLN C C 26 173.250 174.742 -1.492 1
1 263 . 19 1 1 A 26 26 GLN CA C 26 54.207 54.405 -0.198 1
1 264 . 19 1 1 A 26 26 GLN CB C 26 27.813 31.358 -3.545 1
1 266 . 19 1 1 A 26 26 GLN N N 26 122.971 121.369 1.602 1
1 267 . 19 1 1 A 27 27 LEU H H 27 8.753 9.030 -0.277 1
1 268 . 19 1 1 A 27 27 LEU HA H 27 4.414 5.099 -0.685 1
1 272 . 19 1 1 A 27 27 LEU C C 27 175.313 175.118 0.195 1
1 273 . 19 1 1 A 27 27 LEU CA C 27 53.132 53.380 -0.248 1
1 274 . 19 1 1 A 27 27 LEU CB C 27 40.489 44.674 -4.185 1
1 278 . 19 1 1 A 27 27 LEU N N 27 126.504 126.275 0.229 1
1 279 . 19 1 1 A 28 28 ASP H H 28 8.568 9.166 -0.598 1
1 280 . 19 1 1 A 28 28 ASP HA H 28 4.414 5.503 -1.089 1
1 283 . 19 1 1 A 28 28 ASP C C 28 176.147 174.945 1.202 1
1 284 . 19 1 1 A 28 28 ASP CA C 28 53.407 52.476 0.931 1
1 285 . 19 1 1 A 28 28 ASP CB C 28 40.535 42.559 -2.024 1
1 286 . 19 1 1 A 28 28 ASP N N 28 112.805 123.231 -10.426 1
1 287 . 19 1 1 A 29 29 GLY H H 29 7.770 8.564 -0.794 1
1 288 . 19 1 1 A 29 29 GLY HA2 H 29 3.942 4.404 -0.462 1
1 289 . 19 1 1 A 29 29 GLY HA3 H 29 3.806 4.406 -0.600 1
1 290 . 19 1 1 A 29 29 GLY C C 29 174.455 173.740 0.715 1
1 291 . 19 1 1 A 29 29 GLY CA C 29 47.297 44.846 2.451 1
1 292 . 19 1 1 A 29 29 GLY N N 29 129.863 109.978 19.885 1
1 293 . 19 1 1 A 30 30 VAL H H 30 7.792 8.755 -0.963 1
1 294 . 19 1 1 A 30 30 VAL HA H 30 4.391 4.068 0.323 1
1 302 . 19 1 1 A 30 30 VAL C C 30 174.315 177.949 -3.634 1
1 303 . 19 1 1 A 30 30 VAL CA C 30 62.180 64.206 -2.026 1
1 304 . 19 1 1 A 30 30 VAL CB C 30 35.931 32.455 3.476 1
1 307 . 19 1 1 A 30 30 VAL N N 30 112.711 119.082 -6.371 1
1 308 . 19 1 1 A 31 31 VAL H H 31 8.748 7.973 0.775 1
1 309 . 19 1 1 A 31 31 VAL C C 31 172.882 176.598 -3.716 1
1 310 . 19 1 1 A 31 31 VAL CA C 31 62.284 66.891 -4.607 1
1 311 . 19 1 1 A 31 31 VAL CB C 31 33.804 31.115 2.689 1
1 312 . 19 1 1 A 31 31 VAL N N 31 123.316 122.452 0.864 1
1 313 . 19 1 1 A 32 32 PRO HA H 32 5.038 4.242 0.796 1
1 320 . 19 1 1 A 32 32 PRO C C 32 179.633 176.541 3.092 1
1 321 . 19 1 1 A 32 32 PRO CA C 32 63.073 66.431 -3.358 1
1 322 . 19 1 1 A 32 32 PRO CB C 32 32.421 30.949 1.472 1
1 325 . 19 1 1 A 33 33 THR H H 33 8.739 7.748 0.991 1
1 326 . 19 1 1 A 33 33 THR HA H 33 3.896 4.307 -0.411 1
1 331 . 19 1 1 A 33 33 THR C C 33 174.735 175.746 -1.011 1
1 332 . 19 1 1 A 33 33 THR CA C 33 64.329 62.979 1.350 1
1 333 . 19 1 1 A 33 33 THR CB C 33 67.929 69.869 -1.940 1
1 335 . 19 1 1 A 33 33 THR N N 33 120.858 113.077 7.781 1
1 336 . 19 1 1 A 34 34 GLY H H 34 8.303 8.815 -0.512 1
1 337 . 19 1 1 A 34 34 GLY HA2 H 34 4.359 3.942 0.417 1
1 338 . 19 1 1 A 34 34 GLY HA3 H 34 3.451 3.948 -0.497 1
1 339 . 19 1 1 A 34 34 GLY C C 34 174.037 173.716 0.321 1
1 340 . 19 1 1 A 34 34 GLY CA C 34 45.067 46.118 -1.051 1
1 341 . 19 1 1 A 34 34 GLY N N 34 114.645 112.823 1.822 1
1 342 . 19 1 1 A 35 35 THR H H 35 7.405 7.581 -0.176 1
1 343 . 19 1 1 A 35 35 THR HA H 35 4.073 4.836 -0.763 1
1 348 . 19 1 1 A 35 35 THR C C 35 174.540 172.733 1.807 1
1 349 . 19 1 1 A 35 35 THR CA C 35 65.137 59.532 5.605 1
1 350 . 19 1 1 A 35 35 THR CB C 35 69.484 70.834 -1.350 1
1 352 . 19 1 1 A 35 35 THR N N 35 117.340 113.666 3.674 1
1 353 . 19 1 1 A 36 36 ASN H H 36 8.836 8.442 0.394 1
1 354 . 19 1 1 A 36 36 ASN HA H 36 5.686 5.236 0.450 1
1 357 . 19 1 1 A 36 36 ASN C C 36 176.512 175.849 0.663 1
1 358 . 19 1 1 A 36 36 ASN CA C 36 50.439 51.511 -1.072 1
1 359 . 19 1 1 A 36 36 ASN CB C 36 40.274 40.207 0.067 1
1 360 . 19 1 1 A 36 36 ASN N N 36 127.379 118.929 8.450 1
1 361 . 19 1 1 A 37 37 LEU H H 37 8.045 8.330 -0.285 1
1 362 . 19 1 1 A 37 37 LEU HA H 37 4.142 4.099 0.043 1
1 372 . 19 1 1 A 37 37 LEU C C 37 178.931 178.001 0.930 1
1 373 . 19 1 1 A 37 37 LEU CA C 37 59.274 58.494 0.780 1
1 374 . 19 1 1 A 37 37 LEU CB C 37 42.159 41.321 0.838 1
1 378 . 19 1 1 A 37 37 LEU N N 37 119.164 119.562 -0.398 1
1 379 . 19 1 1 A 38 38 ASN H H 38 7.959 8.238 -0.279 1
1 380 . 19 1 1 A 38 38 ASN HA H 38 4.502 4.442 0.060 1
1 383 . 19 1 1 A 38 38 ASN C C 38 178.691 178.041 0.650 1
1 384 . 19 1 1 A 38 38 ASN CA C 38 57.080 56.456 0.624 1
1 385 . 19 1 1 A 38 38 ASN CB C 38 38.367 38.650 -0.283 1
1 386 . 19 1 1 A 38 38 ASN N N 38 118.522 117.051 1.471 1
1 387 . 19 1 1 A 39 39 GLY H H 39 8.828 8.223 0.605 1
1 388 . 19 1 1 A 39 39 GLY HA2 H 39 4.088 3.692 0.396 1
1 389 . 19 1 1 A 39 39 GLY HA3 H 39 3.911 3.696 0.215 1
1 390 . 19 1 1 A 39 39 GLY C C 39 177.320 175.652 1.668 1
1 391 . 19 1 1 A 39 39 GLY CA C 39 46.879 47.167 -0.288 1
1 392 . 19 1 1 A 39 39 GLY N N 39 109.615 107.299 2.316 1
1 393 . 19 1 1 A 40 40 LEU H H 40 8.829 8.467 0.362 1
1 394 . 19 1 1 A 40 40 LEU HA H 40 4.504 4.070 0.434 1
1 404 . 19 1 1 A 40 40 LEU C C 40 177.788 179.106 -1.318 1
1 405 . 19 1 1 A 40 40 LEU CA C 40 57.770 57.977 -0.207 1
1 406 . 19 1 1 A 40 40 LEU CB C 40 41.713 42.048 -0.335 1
1 410 . 19 1 1 A 40 40 LEU N N 40 125.884 123.252 2.632 1
1 411 . 19 1 1 A 41 41 VAL H H 41 8.333 8.087 0.246 1
1 412 . 19 1 1 A 41 41 VAL HA H 41 3.328 3.892 -0.564 1
1 420 . 19 1 1 A 41 41 VAL C C 41 177.556 177.777 -0.221 1
1 421 . 19 1 1 A 41 41 VAL CA C 41 67.977 65.322 2.655 1
1 422 . 19 1 1 A 41 41 VAL CB C 41 31.080 31.196 -0.116 1
1 425 . 19 1 1 A 41 41 VAL N N 41 120.213 114.881 5.332 1
1 426 . 19 1 1 A 42 42 GLN H H 42 7.672 8.048 -0.376 1
1 427 . 19 1 1 A 42 42 GLN HA H 42 3.866 4.138 -0.272 1
1 432 . 19 1 1 A 42 42 GLN C C 42 177.980 178.107 -0.127 1
1 433 . 19 1 1 A 42 42 GLN CA C 42 58.694 58.909 -0.215 1
1 434 . 19 1 1 A 42 42 GLN CB C 42 27.809 28.818 -1.009 1
1 436 . 19 1 1 A 42 42 GLN N N 42 116.386 122.035 -5.649 1
1 437 . 19 1 1 A 43 43 LEU H H 43 8.080 7.717 0.363 1
1 438 . 19 1 1 A 43 43 LEU HA H 43 4.225 4.209 0.016 1
1 448 . 19 1 1 A 43 43 LEU C C 43 179.999 178.532 1.467 1
1 449 . 19 1 1 A 43 43 LEU CA C 43 58.275 57.377 0.898 1
1 450 . 19 1 1 A 43 43 LEU CB C 43 43.046 41.295 1.751 1
1 454 . 19 1 1 A 43 43 LEU N N 43 122.204 120.774 1.430 1
1 455 . 19 1 1 A 44 44 LEU H H 44 8.810 8.170 0.640 1
1 456 . 19 1 1 A 44 44 LEU HA H 44 4.384 4.683 -0.299 1
1 466 . 19 1 1 A 44 44 LEU C C 44 179.311 179.137 0.174 1
1 467 . 19 1 1 A 44 44 LEU CA C 44 58.397 57.166 1.231 1
1 468 . 19 1 1 A 44 44 LEU CB C 44 41.553 42.817 -1.264 1
1 472 . 19 1 1 A 44 44 LEU N N 44 119.371 117.923 1.448 1
1 473 . 19 1 1 A 45 45 LYS H H 45 8.652 8.514 0.138 1
1 474 . 19 1 1 A 45 45 LYS HA H 45 3.678 4.224 -0.546 1
1 483 . 19 1 1 A 45 45 LYS C C 45 177.005 179.112 -2.107 1
1 484 . 19 1 1 A 45 45 LYS CA C 45 60.016 59.050 0.966 1
1 485 . 19 1 1 A 45 45 LYS CB C 45 32.411 32.334 0.077 1
1 489 . 19 1 1 A 45 45 LYS N N 45 120.434 119.914 0.520 1
1 490 . 19 1 1 A 46 46 THR H H 46 8.180 8.310 -0.130 1
1 491 . 19 1 1 A 46 46 THR HA H 46 4.027 3.998 0.029 1
1 496 . 19 1 1 A 46 46 THR C C 46 176.217 176.504 -0.287 1
1 497 . 19 1 1 A 46 46 THR CA C 46 65.173 66.238 -1.065 1
1 498 . 19 1 1 A 46 46 THR CB C 46 69.680 68.857 0.823 1
1 500 . 19 1 1 A 46 46 THR N N 46 109.149 115.527 -6.378 1
1 501 . 19 1 1 A 47 47 ASN H H 47 8.170 7.774 0.396 1
1 502 . 19 1 1 A 47 47 ASN HA H 47 4.785 4.568 0.217 1
1 505 . 19 1 1 A 47 47 ASN C C 47 175.267 176.316 -1.049 1
1 506 . 19 1 1 A 47 47 ASN CA C 47 54.213 55.636 -1.423 1
1 507 . 19 1 1 A 47 47 ASN CB C 47 40.712 39.289 1.423 1
1 508 . 19 1 1 A 47 47 ASN N N 47 116.045 119.288 -3.243 1
1 509 . 19 1 1 A 48 48 TYR H H 48 8.094 7.899 0.195 1
1 510 . 19 1 1 A 48 48 TYR HA H 48 4.695 4.656 0.039 1
1 513 . 19 1 1 A 48 48 TYR C C 48 175.011 175.640 -0.629 1
1 514 . 19 1 1 A 48 48 TYR CA C 48 60.273 59.621 0.652 1
1 515 . 19 1 1 A 48 48 TYR CB C 48 41.189 38.985 2.204 1
1 516 . 19 1 1 A 48 48 TYR N N 48 115.849 119.515 -3.666 1
1 517 . 19 1 1 A 49 49 VAL H H 49 7.769 7.924 -0.155 1
1 518 . 19 1 1 A 49 49 VAL HA H 49 3.715 4.115 -0.400 1
1 526 . 19 1 1 A 49 49 VAL C C 49 176.157 175.870 0.287 1
1 527 . 19 1 1 A 49 49 VAL CA C 49 63.454 62.993 0.461 1
1 528 . 19 1 1 A 49 49 VAL CB C 49 31.695 29.899 1.796 1
1 531 . 19 1 1 A 49 49 VAL N N 49 120.510 119.198 1.312 1
1 532 . 19 1 1 A 50 50 LYS H H 50 8.334 7.828 0.506 1
1 533 . 19 1 1 A 50 50 LYS HA H 50 4.242 3.935 0.307 1
1 542 . 19 1 1 A 50 50 LYS C C 50 176.562 177.782 -1.220 1
1 543 . 19 1 1 A 50 50 LYS CA C 50 55.979 60.097 -4.118 1
1 544 . 19 1 1 A 50 50 LYS CB C 50 32.822 32.311 0.511 1
1 548 . 19 1 1 A 50 50 LYS N N 50 125.933 126.252 -0.319 1
1 549 . 19 1 1 A 51 51 GLU H H 51 7.598 7.894 -0.296 1
1 550 . 19 1 1 A 51 51 GLU HA H 51 4.328 4.448 -0.120 1
1 553 . 19 1 1 A 51 51 GLU C C 51 172.975 175.383 -2.408 1
1 554 . 19 1 1 A 51 51 GLU CA C 51 55.074 55.193 -0.119 1
1 555 . 19 1 1 A 51 51 GLU CB C 51 32.633 31.742 0.891 1
1 557 . 19 1 1 A 51 51 GLU N N 51 117.804 117.454 0.350 1
1 558 . 19 1 1 A 52 52 ARG H H 52 8.383 8.144 0.239 1
1 559 . 19 1 1 A 52 52 ARG CA C 52 53.279 54.344 -1.065 1
1 560 . 19 1 1 A 52 52 ARG CB C 52 26.615 31.042 -4.427 1
1 561 . 19 1 1 A 52 52 ARG N N 52 111.793 122.398 -10.605 1
1 562 . 19 1 1 A 53 53 PRO HA H 53 4.029 4.511 -0.482 1
1 569 . 19 1 1 A 53 53 PRO C C 53 177.018 177.297 -0.279 1
1 570 . 19 1 1 A 53 53 PRO CA C 53 65.474 64.413 1.061 1
1 571 . 19 1 1 A 53 53 PRO CB C 53 30.916 31.926 -1.010 1
1 574 . 19 1 1 A 53 53 PRO N N 53 111.793 141.833 -30.040 1
1 575 . 19 1 1 A 54 54 ASP H H 54 8.462 8.344 0.118 1
1 576 . 19 1 1 A 54 54 ASP HA H 54 4.345 4.736 -0.391 1
1 579 . 19 1 1 A 54 54 ASP C C 54 176.493 177.107 -0.614 1
1 580 . 19 1 1 A 54 54 ASP CA C 54 54.982 54.342 0.640 1
1 581 . 19 1 1 A 54 54 ASP CB C 54 39.451 40.834 -1.383 1
1 582 . 19 1 1 A 54 54 ASP N N 54 113.848 118.112 -4.264 1
1 583 . 19 1 1 A 55 55 LEU H H 55 7.766 7.873 -0.107 1
1 584 . 19 1 1 A 55 55 LEU HA H 55 4.235 4.151 0.084 1
1 594 . 19 1 1 A 55 55 LEU C C 55 175.873 178.571 -2.698 1
1 595 . 19 1 1 A 55 55 LEU CA C 55 55.305 56.954 -1.649 1
1 596 . 19 1 1 A 55 55 LEU CB C 55 41.271 42.077 -0.806 1
1 600 . 19 1 1 A 55 55 LEU N N 55 117.721 117.764 -0.043 1
1 601 . 19 1 1 A 56 56 LEU H H 56 7.630 7.624 0.006 1
1 602 . 19 1 1 A 56 56 LEU HA H 56 4.552 4.369 0.183 1
1 612 . 19 1 1 A 56 56 LEU C C 56 175.341 177.052 -1.711 1
1 613 . 19 1 1 A 56 56 LEU CA C 56 55.516 56.461 -0.945 1
1 614 . 19 1 1 A 56 56 LEU CB C 56 44.910 42.801 2.109 1
1 618 . 19 1 1 A 56 56 LEU N N 56 118.796 116.669 2.127 1
1 619 . 19 1 1 A 57 57 VAL H H 57 7.206 7.276 -0.070 1
1 620 . 19 1 1 A 57 57 VAL HA H 57 5.048 4.254 0.794 1
1 628 . 19 1 1 A 57 57 VAL C C 57 175.020 175.959 -0.939 1
1 629 . 19 1 1 A 57 57 VAL CA C 57 58.550 62.082 -3.532 1
1 630 . 19 1 1 A 57 57 VAL CB C 57 35.049 32.521 2.528 1
1 633 . 19 1 1 A 57 57 VAL N N 57 106.872 120.185 -13.313 1
1 634 . 19 1 1 A 58 58 ASP H H 58 8.447 9.577 -1.130 1
1 635 . 19 1 1 A 58 58 ASP HA H 58 4.459 4.293 0.166 1
1 638 . 19 1 1 A 58 58 ASP C C 58 177.406 176.874 0.532 1
1 639 . 19 1 1 A 58 58 ASP CA C 58 53.130 57.081 -3.951 1
1 640 . 19 1 1 A 58 58 ASP CB C 58 40.985 41.390 -0.405 1
1 641 . 19 1 1 A 58 58 ASP N N 58 118.741 123.978 -5.237 1
1 642 . 19 1 1 A 59 59 GLN H H 59 8.883 7.867 1.016 1
1 643 . 19 1 1 A 59 59 GLN HA H 59 4.031 4.608 -0.577 1
1 648 . 19 1 1 A 59 59 GLN C C 59 177.499 176.517 0.982 1
1 649 . 19 1 1 A 59 59 GLN CA C 59 59.120 57.221 1.899 1
1 650 . 19 1 1 A 59 59 GLN CB C 59 28.389 31.323 -2.934 1
1 652 . 19 1 1 A 59 59 GLN N N 59 119.603 117.125 2.478 1
1 653 . 19 1 1 A 60 60 THR H H 60 8.060 8.101 -0.041 1
1 654 . 19 1 1 A 60 60 THR HA H 60 4.296 4.446 -0.150 1
1 659 . 19 1 1 A 60 60 THR C C 60 176.363 175.204 1.159 1
1 660 . 19 1 1 A 60 60 THR CA C 60 63.358 61.965 1.393 1
1 661 . 19 1 1 A 60 60 THR CB C 60 70.577 69.345 1.232 1
1 663 . 19 1 1 A 60 60 THR N N 60 109.323 108.761 0.562 1
1 664 . 19 1 1 A 61 61 GLY H H 61 8.001 7.968 0.033 1
1 665 . 19 1 1 A 61 61 GLY HA2 H 61 4.173 3.894 0.279 1
1 666 . 19 1 1 A 61 61 GLY HA3 H 61 3.610 3.895 -0.285 1
1 667 . 19 1 1 A 61 61 GLY C C 61 174.049 174.415 -0.366 1
1 668 . 19 1 1 A 61 61 GLY CA C 61 45.301 46.402 -1.101 1
1 669 . 19 1 1 A 61 61 GLY N N 61 109.323 110.250 -0.927 1
1 670 . 19 1 1 A 62 62 GLN H H 62 8.091 7.890 0.201 1
1 671 . 19 1 1 A 62 62 GLN HA H 62 4.172 4.595 -0.423 1
1 674 . 19 1 1 A 62 62 GLN C C 62 175.201 174.924 0.277 1
1 675 . 19 1 1 A 62 62 GLN CA C 62 56.474 56.936 -0.462 1
1 676 . 19 1 1 A 62 62 GLN CB C 62 30.618 30.981 -0.363 1
1 678 . 19 1 1 A 62 62 GLN N N 62 117.247 120.232 -2.985 1
1 679 . 19 1 1 A 63 63 THR H H 63 7.740 7.821 -0.081 1
1 680 . 19 1 1 A 63 63 THR HA H 63 4.624 4.842 -0.218 1
1 685 . 19 1 1 A 63 63 THR C C 63 172.622 172.788 -0.166 1
1 686 . 19 1 1 A 63 63 THR CA C 63 59.718 59.385 0.333 1
1 687 . 19 1 1 A 63 63 THR CB C 63 70.832 71.633 -0.801 1
1 689 . 19 1 1 A 63 63 THR N N 63 113.860 112.502 1.358 1
1 690 . 19 1 1 A 64 64 LEU H H 64 8.364 8.758 -0.394 1
1 691 . 19 1 1 A 64 64 LEU HA H 64 4.324 4.781 -0.457 1
1 701 . 19 1 1 A 64 64 LEU C C 64 176.311 177.156 -0.845 1
1 702 . 19 1 1 A 64 64 LEU CA C 64 55.025 53.610 1.415 1
1 703 . 19 1 1 A 64 64 LEU CB C 64 43.871 43.013 0.858 1
1 707 . 19 1 1 A 64 64 LEU N N 64 123.689 124.167 -0.478 1
1 708 . 19 1 1 A 65 65 ARG H H 65 8.192 9.138 -0.946 1
1 709 . 19 1 1 A 65 65 ARG C C 65 173.609 174.965 -1.356 1
1 710 . 19 1 1 A 65 65 ARG CA C 65 55.287 54.341 0.946 1
1 711 . 19 1 1 A 65 65 ARG CB C 65 29.681 30.707 -1.026 1
1 712 . 19 1 1 A 65 65 ARG N N 65 126.639 121.326 5.313 1
1 713 . 19 1 1 A 66 66 PRO HA H 66 4.390 4.289 0.101 1
1 720 . 19 1 1 A 66 66 PRO C C 66 177.030 177.400 -0.370 1
1 721 . 19 1 1 A 66 66 PRO CA C 66 63.719 63.744 -0.025 1
1 722 . 19 1 1 A 66 66 PRO CB C 66 31.825 31.387 0.438 1
1 725 . 19 1 1 A 66 66 PRO N N 66 126.639 136.912 -10.273 1
1 726 . 19 1 1 A 67 67 GLY H H 67 8.744 8.911 -0.167 1
1 727 . 19 1 1 A 67 67 GLY HA2 H 67 4.232 3.947 0.285 1
1 728 . 19 1 1 A 67 67 GLY HA3 H 67 3.544 3.973 -0.429 1
1 729 . 19 1 1 A 67 67 GLY C C 67 174.319 174.675 -0.356 1
1 730 . 19 1 1 A 67 67 GLY CA C 67 44.818 45.414 -0.596 1
1 731 . 19 1 1 A 68 68 ILE H H 68 7.522 7.456 0.066 1
1 732 . 19 1 1 A 68 68 ILE HA H 68 4.690 4.613 0.077 1
1 742 . 19 1 1 A 68 68 ILE C C 68 174.703 175.259 -0.556 1
1 743 . 19 1 1 A 68 68 ILE CA C 68 61.047 60.769 0.278 1
1 744 . 19 1 1 A 68 68 ILE CB C 68 38.090 38.514 -0.424 1
1 748 . 19 1 1 A 68 68 ILE N N 68 121.049 121.419 -0.370 1
1 749 . 19 1 1 A 69 69 LEU H H 69 9.207 9.081 0.126 1
1 750 . 19 1 1 A 69 69 LEU HA H 69 4.449 5.045 -0.596 1
1 760 . 19 1 1 A 69 69 LEU C C 69 174.991 175.551 -0.560 1
1 761 . 19 1 1 A 69 69 LEU CA C 69 54.106 53.590 0.516 1
1 762 . 19 1 1 A 69 69 LEU CB C 69 43.588 43.302 0.286 1
1 766 . 19 1 1 A 69 69 LEU N N 69 131.197 127.303 3.894 1
1 767 . 19 1 1 A 70 70 VAL H H 70 8.149 8.830 -0.681 1
1 768 . 19 1 1 A 70 70 VAL HA H 70 4.955 4.753 0.202 1
1 776 . 19 1 1 A 70 70 VAL C C 70 175.167 175.170 -0.003 1
1 777 . 19 1 1 A 70 70 VAL CA C 70 59.928 61.245 -1.317 1
1 778 . 19 1 1 A 70 70 VAL CB C 70 33.239 32.980 0.259 1
1 781 . 19 1 1 A 70 70 VAL N N 70 121.953 122.337 -0.384 1
1 782 . 19 1 1 A 71 71 LEU H H 71 8.881 8.348 0.533 1
1 783 . 19 1 1 A 71 71 LEU HA H 71 4.922 5.071 -0.149 1
1 793 . 19 1 1 A 71 71 LEU C C 71 176.487 174.894 1.593 1
1 794 . 19 1 1 A 71 71 LEU CA C 71 52.627 53.056 -0.429 1
1 795 . 19 1 1 A 71 71 LEU CB C 71 44.487 44.615 -0.128 1
1 799 . 19 1 1 A 71 71 LEU N N 71 126.071 127.683 -1.612 1
1 800 . 19 1 1 A 72 72 VAL H H 72 9.048 9.175 -0.127 1
1 801 . 19 1 1 A 72 72 VAL HA H 72 4.351 5.019 -0.668 1
1 809 . 19 1 1 A 72 72 VAL C C 72 176.078 175.540 0.538 1
1 810 . 19 1 1 A 72 72 VAL CA C 72 60.886 60.593 0.293 1
1 811 . 19 1 1 A 72 72 VAL CB C 72 33.141 32.165 0.976 1
1 814 . 19 1 1 A 72 72 VAL N N 72 120.969 120.420 0.549 1
1 815 . 19 1 1 A 73 73 ASN H H 73 9.630 9.242 0.388 1
1 816 . 19 1 1 A 73 73 ASN HA H 73 4.335 4.296 0.039 1
1 821 . 19 1 1 A 73 73 ASN C C 73 175.496 174.609 0.887 1
1 822 . 19 1 1 A 73 73 ASN CA C 73 54.736 54.100 0.636 1
1 823 . 19 1 1 A 73 73 ASN CB C 73 36.825 37.258 -0.433 1
1 824 . 19 1 1 A 73 73 ASN N N 73 129.082 121.843 7.239 1
1 825 . 19 1 1 A 74 74 SER H H 74 9.308 8.474 0.834 1
1 826 . 19 1 1 A 74 74 SER C C 74 172.584 173.228 -0.644 1
1 827 . 19 1 1 A 74 74 SER N N 74 106.084 110.496 -4.412 1
1 828 . 19 1 1 A 75 75 CYS H H 75 7.845 7.612 0.233 1
1 829 . 19 1 1 A 75 75 CYS C C 75 176.045 172.946 3.099 1
1 830 . 19 1 1 A 75 75 CYS CA C 75 57.152 57.900 -0.748 1
1 831 . 19 1 1 A 75 75 CYS CB C 75 29.101 30.884 -1.783 1
1 832 . 19 1 1 A 75 75 CYS N N 75 120.460 118.192 2.268 1
1 833 . 19 1 1 A 76 76 ASP H H 76 8.766 8.770 -0.004 1
1 834 . 19 1 1 A 76 76 ASP HA H 76 4.295 4.452 -0.157 1
1 837 . 19 1 1 A 76 76 ASP C C 76 177.713 177.499 0.214 1
1 838 . 19 1 1 A 76 76 ASP CA C 76 55.721 54.866 0.855 1
1 839 . 19 1 1 A 76 76 ASP CB C 76 41.513 40.837 0.676 1
1 840 . 19 1 1 A 76 76 ASP N N 76 126.661 126.648 0.013 1
1 841 . 19 1 1 A 77 77 ALA H H 77 8.555 8.866 -0.311 1
1 842 . 19 1 1 A 77 77 ALA HA H 77 3.688 3.939 -0.251 1
1 846 . 19 1 1 A 77 77 ALA C C 77 180.149 178.970 1.179 1
1 847 . 19 1 1 A 77 77 ALA CA C 77 54.334 54.201 0.133 1
1 848 . 19 1 1 A 77 77 ALA CB C 77 18.453 18.335 0.118 1
1 849 . 19 1 1 A 77 77 ALA N N 77 128.302 126.683 1.619 1
1 850 . 19 1 1 A 78 78 GLU H H 78 9.034 7.903 1.131 1
1 851 . 19 1 1 A 78 78 GLU HA H 78 3.763 4.116 -0.353 1
1 856 . 19 1 1 A 78 78 GLU C C 78 179.359 179.241 0.118 1
1 857 . 19 1 1 A 78 78 GLU CA C 78 59.569 58.887 0.682 1
1 858 . 19 1 1 A 78 78 GLU CB C 78 29.511 29.153 0.358 1
1 860 . 19 1 1 A 78 78 GLU N N 78 117.499 118.263 -0.764 1
1 861 . 19 1 1 A 79 79 VAL H H 79 7.753 7.942 -0.189 1
1 862 . 19 1 1 A 79 79 VAL HA H 79 3.927 3.696 0.231 1
1 870 . 19 1 1 A 79 79 VAL C C 79 177.408 177.319 0.089 1
1 871 . 19 1 1 A 79 79 VAL CA C 79 64.439 66.038 -1.599 1
1 872 . 19 1 1 A 79 79 VAL CB C 79 31.904 31.667 0.237 1
1 875 . 19 1 1 A 79 79 VAL N N 79 115.536 121.138 -5.602 1
1 876 . 19 1 1 A 80 80 VAL H H 80 7.123 7.588 -0.465 1
1 877 . 19 1 1 A 80 80 VAL HA H 80 4.443 4.087 0.356 1
1 885 . 19 1 1 A 80 80 VAL C C 80 175.020 177.149 -2.129 1
1 886 . 19 1 1 A 80 80 VAL CA C 80 60.286 63.843 -3.557 1
1 887 . 19 1 1 A 80 80 VAL CB C 80 30.948 32.605 -1.657 1
1 890 . 19 1 1 A 80 80 VAL N N 80 109.738 116.124 -6.386 1
1 891 . 19 1 1 A 81 81 GLY H H 81 7.210 7.844 -0.634 1
1 892 . 19 1 1 A 81 81 GLY HA2 H 81 4.511 4.131 0.380 1
1 893 . 19 1 1 A 81 81 GLY HA3 H 81 3.664 4.163 -0.499 1
1 894 . 19 1 1 A 81 81 GLY C C 81 175.262 175.750 -0.488 1
1 895 . 19 1 1 A 81 81 GLY CA C 81 44.964 45.971 -1.007 1
1 896 . 19 1 1 A 81 81 GLY N N 81 106.697 109.492 -2.795 1
1 897 . 19 1 1 A 82 82 GLY H H 82 8.673 8.422 0.251 1
1 898 . 19 1 1 A 82 82 GLY HA2 H 82 4.022 4.041 -0.019 1
1 899 . 19 1 1 A 82 82 GLY HA3 H 82 3.150 4.053 -0.903 1
1 900 . 19 1 1 A 82 82 GLY C C 82 174.547 173.889 0.658 1
1 901 . 19 1 1 A 82 82 GLY CA C 82 45.151 45.560 -0.409 1
1 902 . 19 1 1 A 82 82 GLY N N 82 111.931 107.926 4.005 1
1 903 . 19 1 1 A 83 83 MET H H 83 8.841 7.683 1.158 1
1 904 . 19 1 1 A 83 83 MET HA H 83 4.582 4.809 -0.227 1
1 909 . 19 1 1 A 83 83 MET C C 83 176.001 175.189 0.812 1
1 910 . 19 1 1 A 83 83 MET CA C 83 55.737 54.507 1.230 1
1 911 . 19 1 1 A 83 83 MET CB C 83 30.273 33.484 -3.211 1
1 913 . 19 1 1 A 83 83 MET N N 83 119.840 115.813 4.027 1
1 914 . 19 1 1 A 84 84 ASP H H 84 7.395 8.039 -0.644 1
1 915 . 19 1 1 A 84 84 ASP HA H 84 4.695 4.937 -0.242 1
1 918 . 19 1 1 A 84 84 ASP C C 84 176.694 174.848 1.846 1
1 919 . 19 1 1 A 84 84 ASP CA C 84 54.300 53.170 1.130 1
1 920 . 19 1 1 A 84 84 ASP CB C 84 41.551 42.009 -0.458 1
1 921 . 19 1 1 A 84 84 ASP N N 84 114.478 120.834 -6.356 1
1 922 . 19 1 1 A 85 85 TYR H H 85 7.930 7.995 -0.065 1
1 923 . 19 1 1 A 85 85 TYR HA H 85 4.148 4.793 -0.645 1
1 926 . 19 1 1 A 85 85 TYR C C 85 173.845 175.222 -1.377 1
1 927 . 19 1 1 A 85 85 TYR CA C 85 59.520 56.879 2.641 1
1 928 . 19 1 1 A 85 85 TYR CB C 85 38.105 38.976 -0.871 1
1 929 . 19 1 1 A 85 85 TYR N N 85 123.769 122.269 1.500 1
1 930 . 19 1 1 A 86 86 VAL H H 86 7.755 8.176 -0.421 1
1 931 . 19 1 1 A 86 86 VAL HA H 86 3.402 4.022 -0.620 1
1 939 . 19 1 1 A 86 86 VAL C C 86 173.896 175.448 -1.552 1
1 940 . 19 1 1 A 86 86 VAL CA C 86 62.779 62.006 0.773 1
1 941 . 19 1 1 A 86 86 VAL CB C 86 31.843 32.620 -0.777 1
1 944 . 19 1 1 A 86 86 VAL N N 86 130.130 124.926 5.204 1
1 945 . 19 1 1 A 87 87 LEU H H 87 7.069 9.060 -1.991 1
1 946 . 19 1 1 A 87 87 LEU HA H 87 3.833 5.035 -1.202 1
1 956 . 19 1 1 A 87 87 LEU C C 87 176.432 175.142 1.290 1
1 957 . 19 1 1 A 87 87 LEU CA C 87 55.977 54.213 1.764 1
1 958 . 19 1 1 A 87 87 LEU CB C 87 42.126 43.758 -1.632 1
1 962 . 19 1 1 A 87 87 LEU N N 87 121.577 126.635 -5.058 1
1 963 . 19 1 1 A 88 88 ASN H H 88 8.705 8.872 -0.167 1
1 964 . 19 1 1 A 88 88 ASN HA H 88 4.717 5.053 -0.336 1
1 967 . 19 1 1 A 88 88 ASN C C 88 173.156 173.671 -0.515 1
1 968 . 19 1 1 A 88 88 ASN CA C 88 51.471 52.185 -0.714 1
1 969 . 19 1 1 A 88 88 ASN CB C 88 41.622 41.882 -0.260 1
1 970 . 19 1 1 A 88 88 ASN N N 88 120.561 118.809 1.752 1
1 971 . 19 1 1 A 89 89 ASP H H 89 8.482 8.682 -0.200 1
1 972 . 19 1 1 A 89 89 ASP HA H 89 3.937 4.206 -0.269 1
1 975 . 19 1 1 A 89 89 ASP C C 89 178.751 176.808 1.943 1
1 976 . 19 1 1 A 89 89 ASP CA C 89 56.268 55.757 0.511 1
1 977 . 19 1 1 A 89 89 ASP CB C 89 40.380 39.685 0.695 1
1 978 . 19 1 1 A 89 89 ASP N N 89 122.084 119.897 2.187 1
1 979 . 19 1 1 A 90 90 GLY H H 90 9.334 8.657 0.677 1
1 980 . 19 1 1 A 90 90 GLY HA2 H 90 4.314 3.942 0.372 1
1 981 . 19 1 1 A 90 90 GLY HA3 H 90 3.619 4.051 -0.432 1
1 982 . 19 1 1 A 90 90 GLY C C 90 174.907 174.273 0.634 1
1 983 . 19 1 1 A 90 90 GLY CA C 90 45.076 45.007 0.069 1
1 984 . 19 1 1 A 90 90 GLY N N 90 117.218 112.495 4.723 1
1 985 . 19 1 1 A 91 91 ASP H H 91 7.987 7.690 0.297 1
1 986 . 19 1 1 A 91 91 ASP HA H 91 4.745 4.837 -0.092 1
1 989 . 19 1 1 A 91 91 ASP C C 91 175.436 175.309 0.127 1
1 990 . 19 1 1 A 91 91 ASP CA C 91 55.954 53.735 2.219 1
1 991 . 19 1 1 A 91 91 ASP CB C 91 41.876 42.726 -0.850 1
1 992 . 19 1 1 A 91 91 ASP N N 91 122.336 120.885 1.451 1
1 993 . 19 1 1 A 92 92 THR H H 92 8.227 8.794 -0.567 1
1 994 . 19 1 1 A 92 92 THR HA H 92 5.093 5.350 -0.257 1
1 999 . 19 1 1 A 92 92 THR C C 92 173.702 173.236 0.466 1
1 1000 . 19 1 1 A 92 92 THR CA C 92 61.477 61.583 -0.106 1
1 1001 . 19 1 1 A 92 92 THR CB C 92 70.032 71.941 -1.909 1
1 1003 . 19 1 1 A 92 92 THR N N 92 115.456 116.091 -0.635 1
1 1004 . 19 1 1 A 93 93 VAL H H 93 9.039 8.633 0.406 1
1 1005 . 19 1 1 A 93 93 VAL HA H 93 4.731 4.675 0.056 1
1 1013 . 19 1 1 A 93 93 VAL C C 93 173.391 173.442 -0.051 1
1 1014 . 19 1 1 A 93 93 VAL CA C 93 59.984 59.841 0.143 1
1 1015 . 19 1 1 A 93 93 VAL CB C 93 33.978 34.782 -0.804 1
1 1018 . 19 1 1 A 93 93 VAL N N 93 129.109 125.155 3.954 1
1 1019 . 19 1 1 A 94 94 GLU H H 94 9.012 8.234 0.778 1
1 1020 . 19 1 1 A 94 94 GLU HA H 94 4.941 4.827 0.114 1
1 1025 . 19 1 1 A 94 94 GLU C C 94 173.669 174.813 -1.144 1
1 1026 . 19 1 1 A 94 94 GLU CA C 94 53.577 54.222 -0.645 1
1 1027 . 19 1 1 A 94 94 GLU CB C 94 32.853 33.066 -0.213 1
1 1029 . 19 1 1 A 94 94 GLU N N 94 126.881 126.842 0.039 1
1 1030 . 19 1 1 A 95 95 PHE H H 95 9.012 8.198 0.814 1
1 1031 . 19 1 1 A 95 95 PHE HA H 95 4.941 5.138 -0.197 1
1 1034 . 19 1 1 A 95 95 PHE C C 95 174.687 174.520 0.167 1
1 1035 . 19 1 1 A 95 95 PHE CA C 95 56.843 56.380 0.463 1
1 1036 . 19 1 1 A 95 95 PHE CB C 95 40.889 40.584 0.305 1
1 1037 . 19 1 1 A 95 95 PHE N N 95 122.718 120.483 2.235 1
1 1038 . 19 1 1 A 96 96 ILE H H 96 9.292 8.732 0.560 1
1 1039 . 19 1 1 A 96 96 ILE HA H 96 4.573 4.968 -0.395 1
1 1049 . 19 1 1 A 96 96 ILE C C 96 175.897 174.688 1.209 1
1 1050 . 19 1 1 A 96 96 ILE CA C 96 59.748 60.341 -0.593 1
1 1051 . 19 1 1 A 96 96 ILE CB C 96 40.938 39.694 1.244 1
1 1055 . 19 1 1 A 96 96 ILE N N 96 123.112 125.286 -2.174 1
1 1056 . 19 1 1 A 97 97 SER H H 97 8.245 8.277 -0.032 1
1 1057 . 19 1 1 A 97 97 SER HA H 97 4.800 4.881 -0.081 1
1 1060 . 19 1 1 A 97 97 SER C C 97 175.130 174.780 0.350 1
1 1061 . 19 1 1 A 97 97 SER CA C 97 58.154 57.083 1.071 1
1 1062 . 19 1 1 A 97 97 SER CB C 97 63.137 62.595 0.542 1
1 1063 . 19 1 1 A 97 97 SER N N 97 121.343 122.970 -1.627 1
1 1064 . 19 1 1 A 98 98 THR H H 98 8.181 8.168 0.013 1
1 1065 . 19 1 1 A 98 98 THR HA H 98 4.549 4.159 0.390 1
1 1070 . 19 1 1 A 98 98 THR C C 98 174.729 174.449 0.280 1
1 1071 . 19 1 1 A 98 98 THR CA C 98 61.603 65.847 -4.244 1
1 1072 . 19 1 1 A 98 98 THR CB C 98 69.890 68.207 1.683 1
1 1074 . 19 1 1 A 98 98 THR N N 98 116.451 119.807 -3.356 1
1 1075 . 19 1 1 A 99 99 LEU H H 99 8.033 7.990 0.043 1
1 1076 . 19 1 1 A 99 99 LEU HA H 99 4.234 4.830 -0.596 1
1 1086 . 19 1 1 A 99 99 LEU C C 99 177.349 175.331 2.018 1
1 1087 . 19 1 1 A 99 99 LEU CA C 99 55.517 53.408 2.109 1
1 1088 . 19 1 1 A 99 99 LEU CB C 99 41.996 45.258 -3.262 1
1 1092 . 19 1 1 A 99 99 LEU N N 99 122.869 121.858 1.011 1
1 1093 . 19 1 1 A 100 100 HIS H H 100 8.558 8.920 -0.362 1
1 1094 . 19 1 1 A 100 100 HIS HA H 100 4.460 4.849 -0.389 1
1 1097 . 19 1 1 A 100 100 HIS C C 100 175.718 175.016 0.702 1
1 1098 . 19 1 1 A 100 100 HIS CA C 100 56.096 54.456 1.640 1
1 1099 . 19 1 1 A 100 100 HIS CB C 100 29.709 30.991 -1.282 1
1 1100 . 19 1 1 A 100 100 HIS N N 100 120.437 122.604 -2.167 1
1 1101 . 19 1 1 A 101 101 GLY H H 101 8.477 8.357 0.120 1
1 1102 . 19 1 1 A 101 101 GLY HA2 H 101 3.888 4.044 -0.156 1
1 1103 . 19 1 1 A 101 101 GLY HA3 H 101 3.888 4.069 -0.181 1
1 1104 . 19 1 1 A 101 101 GLY C C 101 174.614 172.916 1.698 1
1 1105 . 19 1 1 A 101 101 GLY CA C 101 45.529 44.898 0.631 1
1 1106 . 19 1 1 A 101 101 GLY N N 101 110.340 113.566 -3.226 1
1 7 . 20 1 1 A 2 2 SER H H 2 8.206 8.676 -0.470 1
1 8 . 20 1 1 A 2 2 SER N N 2 126.498 115.316 11.182 1
1 9 . 20 1 1 A 3 3 ASN HA H 3 5.166 4.664 0.502 1
1 12 . 20 1 1 A 3 3 ASN C C 3 175.527 176.027 -0.500 1
1 13 . 20 1 1 A 3 3 ASN CA C 3 51.466 54.979 -3.513 1
1 14 . 20 1 1 A 3 3 ASN CB C 3 39.931 39.176 0.755 1
1 15 . 20 1 1 A 4 4 HIS H H 4 8.859 7.985 0.874 1
1 16 . 20 1 1 A 4 4 HIS HA H 4 4.165 4.596 -0.431 1
1 19 . 20 1 1 A 4 4 HIS C C 4 175.897 173.373 2.524 1
1 20 . 20 1 1 A 4 4 HIS CA C 4 56.644 58.009 -1.365 1
1 21 . 20 1 1 A 4 4 HIS CB C 4 30.122 28.667 1.455 1
1 22 . 20 1 1 A 4 4 HIS N N 4 120.656 115.783 4.873 1
1 23 . 20 1 1 A 5 5 ASN H H 5 8.263 8.810 -0.547 1
1 24 . 20 1 1 A 5 5 ASN HA H 5 4.274 5.114 -0.840 1
1 27 . 20 1 1 A 5 5 ASN C C 5 177.939 174.037 3.902 1
1 28 . 20 1 1 A 5 5 ASN CA C 5 57.261 51.795 5.466 1
1 29 . 20 1 1 A 5 5 ASN CB C 5 38.232 41.015 -2.783 1
1 30 . 20 1 1 A 5 5 ASN N N 5 121.699 118.576 3.123 1
1 31 . 20 1 1 A 6 6 HIS H H 6 9.675 8.634 1.041 1
1 32 . 20 1 1 A 6 6 HIS HA H 6 5.261 4.433 0.828 1
1 35 . 20 1 1 A 6 6 HIS C C 6 171.876 174.307 -2.431 1
1 36 . 20 1 1 A 6 6 HIS CA C 6 56.016 56.566 -0.550 1
1 37 . 20 1 1 A 6 6 HIS CB C 6 31.324 28.555 2.769 1
1 38 . 20 1 1 A 6 6 HIS N N 6 117.245 115.018 2.227 1
1 39 . 20 1 1 A 7 7 ILE H H 7 7.753 8.329 -0.576 1
1 40 . 20 1 1 A 7 7 ILE HA H 7 4.442 4.187 0.255 1
1 50 . 20 1 1 A 7 7 ILE C C 7 174.518 175.837 -1.319 1
1 51 . 20 1 1 A 7 7 ILE CA C 7 57.922 61.347 -3.425 1
1 52 . 20 1 1 A 7 7 ILE CB C 7 39.790 37.946 1.844 1
1 56 . 20 1 1 A 7 7 ILE N N 7 126.114 124.722 1.392 1
1 57 . 20 1 1 A 8 8 THR H H 8 8.238 8.949 -0.711 1
1 58 . 20 1 1 A 8 8 THR HA H 8 4.733 4.852 -0.119 1
1 63 . 20 1 1 A 8 8 THR C C 8 172.672 172.926 -0.254 1
1 64 . 20 1 1 A 8 8 THR CA C 8 62.203 61.959 0.244 1
1 65 . 20 1 1 A 8 8 THR CB C 8 70.202 69.387 0.815 1
1 67 . 20 1 1 A 8 8 THR N N 8 123.879 121.988 1.891 1
1 68 . 20 1 1 A 9 9 VAL H H 9 8.717 8.411 0.306 1
1 69 . 20 1 1 A 9 9 VAL HA H 9 5.165 5.073 0.092 1
1 77 . 20 1 1 A 9 9 VAL C C 9 173.545 174.177 -0.632 1
1 78 . 20 1 1 A 9 9 VAL CA C 9 59.279 60.152 -0.873 1
1 79 . 20 1 1 A 9 9 VAL CB C 9 33.495 34.102 -0.607 1
1 82 . 20 1 1 A 9 9 VAL N N 9 124.808 126.558 -1.750 1
1 83 . 20 1 1 A 10 10 GLN H H 10 8.863 8.581 0.282 1
1 84 . 20 1 1 A 10 10 GLN HA H 10 4.841 4.894 -0.053 1
1 87 . 20 1 1 A 10 10 GLN C C 10 173.774 173.728 0.046 1
1 88 . 20 1 1 A 10 10 GLN CA C 10 53.092 53.541 -0.449 1
1 89 . 20 1 1 A 10 10 GLN CB C 10 32.226 32.699 -0.473 1
1 91 . 20 1 1 A 10 10 GLN N N 10 123.709 125.766 -2.057 1
1 92 . 20 1 1 A 11 11 PHE H H 11 8.252 8.182 0.070 1
1 93 . 20 1 1 A 11 11 PHE HA H 11 5.661 5.505 0.156 1
1 96 . 20 1 1 A 11 11 PHE C C 11 175.180 174.978 0.202 1
1 97 . 20 1 1 A 11 11 PHE CA C 11 55.799 56.731 -0.932 1
1 98 . 20 1 1 A 11 11 PHE CB C 11 43.197 42.572 0.625 1
1 99 . 20 1 1 A 11 11 PHE N N 11 119.002 117.455 1.547 1
1 100 . 20 1 1 A 12 12 ALA H H 12 8.989 8.409 0.580 1
1 101 . 20 1 1 A 12 12 ALA HA H 12 4.971 4.996 -0.025 1
1 105 . 20 1 1 A 12 12 ALA C C 12 179.413 177.644 1.769 1
1 106 . 20 1 1 A 12 12 ALA CA C 12 51.675 51.365 0.310 1
1 107 . 20 1 1 A 12 12 ALA CB C 12 23.716 23.100 0.616 1
1 108 . 20 1 1 A 12 12 ALA N N 12 123.388 124.013 -0.625 1
1 109 . 20 1 1 A 13 13 GLY H H 13 9.188 8.873 0.315 1
1 110 . 20 1 1 A 13 13 GLY HA2 H 13 4.477 3.878 0.599 1
1 111 . 20 1 1 A 13 13 GLY HA3 H 13 3.937 3.879 0.058 1
1 112 . 20 1 1 A 13 13 GLY C C 13 173.600 175.050 -1.450 1
1 113 . 20 1 1 A 13 13 GLY CA C 13 46.252 47.090 -0.838 1
1 114 . 20 1 1 A 13 13 GLY N N 13 110.134 110.648 -0.514 1
1 115 . 20 1 1 A 14 14 GLY H H 14 9.510 8.700 0.810 1
1 116 . 20 1 1 A 14 14 GLY HA2 H 14 4.600 4.037 0.563 1
1 117 . 20 1 1 A 14 14 GLY HA3 H 14 3.453 4.064 -0.611 1
1 118 . 20 1 1 A 14 14 GLY C C 14 177.136 174.702 2.434 1
1 119 . 20 1 1 A 14 14 GLY CA C 14 44.792 45.304 -0.512 1
1 120 . 20 1 1 A 14 14 GLY N N 14 109.966 113.539 -3.573 1
1 121 . 20 1 1 A 15 15 CYS H H 15 7.748 7.890 -0.142 1
1 122 . 20 1 1 A 15 15 CYS HA H 15 3.883 4.326 -0.443 1
1 125 . 20 1 1 A 15 15 CYS C C 15 175.011 175.273 -0.262 1
1 126 . 20 1 1 A 15 15 CYS CA C 15 62.034 58.946 3.088 1
1 127 . 20 1 1 A 15 15 CYS N N 15 121.082 117.319 3.763 1
1 128 . 20 1 1 A 16 16 GLU H H 16 7.837 8.060 -0.223 1
1 129 . 20 1 1 A 16 16 GLU HA H 16 4.009 4.259 -0.250 1
1 134 . 20 1 1 A 16 16 GLU C C 16 178.419 178.822 -0.403 1
1 135 . 20 1 1 A 16 16 GLU CA C 16 58.599 59.353 -0.754 1
1 136 . 20 1 1 A 16 16 GLU CB C 16 27.745 29.364 -1.619 1
1 138 . 20 1 1 A 16 16 GLU N N 16 120.416 120.605 -0.189 1
1 139 . 20 1 1 A 17 17 LEU H H 17 7.626 7.812 -0.186 1
1 140 . 20 1 1 A 17 17 LEU HA H 17 3.927 4.196 -0.269 1
1 150 . 20 1 1 A 17 17 LEU C C 17 178.349 177.477 0.872 1
1 151 . 20 1 1 A 17 17 LEU CA C 17 57.105 56.233 0.872 1
1 152 . 20 1 1 A 17 17 LEU CB C 17 40.474 41.390 -0.916 1
1 156 . 20 1 1 A 17 17 LEU N N 17 122.648 119.938 2.710 1
1 157 . 20 1 1 A 18 18 LEU H H 18 7.488 7.632 -0.144 1
1 158 . 20 1 1 A 18 18 LEU HA H 18 4.143 4.190 -0.047 1
1 168 . 20 1 1 A 18 18 LEU C C 18 175.859 176.721 -0.862 1
1 169 . 20 1 1 A 18 18 LEU CA C 18 55.729 55.504 0.225 1
1 170 . 20 1 1 A 18 18 LEU CB C 18 40.532 41.390 -0.858 1
1 174 . 20 1 1 A 18 18 LEU N N 18 117.565 118.519 -0.954 1
1 175 . 20 1 1 A 19 19 PHE H H 19 7.164 7.634 -0.470 1
1 176 . 20 1 1 A 19 19 PHE HA H 19 4.395 5.139 -0.744 1
1 179 . 20 1 1 A 19 19 PHE C C 19 176.362 175.542 0.820 1
1 180 . 20 1 1 A 19 19 PHE CA C 19 56.373 59.010 -2.637 1
1 181 . 20 1 1 A 19 19 PHE CB C 19 39.143 40.976 -1.833 1
1 182 . 20 1 1 A 19 19 PHE N N 19 117.899 120.329 -2.430 1
1 183 . 20 1 1 A 20 20 ALA H H 20 8.780 7.541 1.239 1
1 184 . 20 1 1 A 20 20 ALA HA H 20 4.087 4.429 -0.342 1
1 188 . 20 1 1 A 20 20 ALA C C 20 176.512 177.255 -0.743 1
1 189 . 20 1 1 A 20 20 ALA CA C 20 53.279 51.259 2.020 1
1 190 . 20 1 1 A 20 20 ALA CB C 20 17.047 19.082 -2.035 1
1 191 . 20 1 1 A 20 20 ALA N N 20 123.417 119.501 3.916 1
1 192 . 20 1 1 A 21 21 LYS H H 21 7.825 7.993 -0.168 1
1 193 . 20 1 1 A 21 21 LYS HA H 21 3.181 3.884 -0.703 1
1 202 . 20 1 1 A 21 21 LYS C C 21 175.295 175.567 -0.272 1
1 203 . 20 1 1 A 21 21 LYS CA C 21 58.666 57.355 1.311 1
1 204 . 20 1 1 A 21 21 LYS CB C 21 29.784 29.663 0.121 1
1 208 . 20 1 1 A 21 21 LYS N N 21 108.448 112.504 -4.056 1
1 209 . 20 1 1 A 22 22 GLN H H 22 7.611 8.050 -0.439 1
1 210 . 20 1 1 A 22 22 GLN HA H 22 4.429 4.524 -0.095 1
1 215 . 20 1 1 A 22 22 GLN C C 22 174.967 176.252 -1.285 1
1 216 . 20 1 1 A 22 22 GLN CA C 22 56.105 55.923 0.182 1
1 217 . 20 1 1 A 22 22 GLN CB C 22 29.548 30.731 -1.183 1
1 219 . 20 1 1 A 22 22 GLN N N 22 120.482 117.864 2.618 1
1 220 . 20 1 1 A 23 23 THR H H 23 8.201 8.586 -0.385 1
1 221 . 20 1 1 A 23 23 THR HA H 23 4.491 4.457 0.034 1
1 226 . 20 1 1 A 23 23 THR C C 23 175.012 174.960 0.052 1
1 227 . 20 1 1 A 23 23 THR CA C 23 62.436 62.216 0.220 1
1 228 . 20 1 1 A 23 23 THR CB C 23 69.501 69.409 0.092 1
1 229 . 20 1 1 A 23 23 THR N N 23 110.354 113.210 -2.856 1
1 230 . 20 1 1 A 24 24 SER H H 24 7.751 8.033 -0.282 1
1 231 . 20 1 1 A 24 24 SER HA H 24 5.136 5.060 0.076 1
1 234 . 20 1 1 A 24 24 SER C C 24 172.623 172.905 -0.282 1
1 235 . 20 1 1 A 24 24 SER CA C 24 57.192 56.678 0.514 1
1 236 . 20 1 1 A 24 24 SER CB C 24 65.459 66.674 -1.215 1
1 237 . 20 1 1 A 24 24 SER N N 24 114.575 114.378 0.197 1
1 238 . 20 1 1 A 25 25 LEU H H 25 9.272 8.801 0.471 1
1 239 . 20 1 1 A 25 25 LEU HA H 25 4.531 4.901 -0.370 1
1 249 . 20 1 1 A 25 25 LEU C C 25 174.436 175.853 -1.417 1
1 250 . 20 1 1 A 25 25 LEU CA C 25 53.929 53.753 0.176 1
1 251 . 20 1 1 A 25 25 LEU CB C 25 45.561 46.483 -0.922 1
1 255 . 20 1 1 A 25 25 LEU N N 25 124.288 121.426 2.862 1
1 256 . 20 1 1 A 26 26 GLN H H 26 8.573 8.606 -0.033 1
1 257 . 20 1 1 A 26 26 GLN HA H 26 4.607 5.588 -0.981 1
1 262 . 20 1 1 A 26 26 GLN C C 26 173.250 174.698 -1.448 1
1 263 . 20 1 1 A 26 26 GLN CA C 26 54.207 54.241 -0.034 1
1 264 . 20 1 1 A 26 26 GLN CB C 26 27.813 31.773 -3.960 1
1 266 . 20 1 1 A 26 26 GLN N N 26 122.971 120.400 2.571 1
1 267 . 20 1 1 A 27 27 LEU H H 27 8.753 9.005 -0.252 1
1 268 . 20 1 1 A 27 27 LEU HA H 27 4.414 5.036 -0.622 1
1 272 . 20 1 1 A 27 27 LEU C C 27 175.313 175.057 0.256 1
1 273 . 20 1 1 A 27 27 LEU CA C 27 53.132 53.269 -0.137 1
1 274 . 20 1 1 A 27 27 LEU CB C 27 40.489 44.188 -3.699 1
1 278 . 20 1 1 A 27 27 LEU N N 27 126.504 125.377 1.127 1
1 279 . 20 1 1 A 28 28 ASP H H 28 8.568 8.940 -0.372 1
1 280 . 20 1 1 A 28 28 ASP HA H 28 4.414 5.116 -0.702 1
1 283 . 20 1 1 A 28 28 ASP C C 28 176.147 175.726 0.421 1
1 284 . 20 1 1 A 28 28 ASP CA C 28 53.407 52.996 0.411 1
1 285 . 20 1 1 A 28 28 ASP CB C 28 40.535 43.381 -2.846 1
1 286 . 20 1 1 A 28 28 ASP N N 28 112.805 123.594 -10.789 1
1 287 . 20 1 1 A 29 29 GLY H H 29 7.770 8.950 -1.180 1
1 288 . 20 1 1 A 29 29 GLY HA2 H 29 3.942 3.895 0.047 1
1 289 . 20 1 1 A 29 29 GLY HA3 H 29 3.806 3.900 -0.094 1
1 290 . 20 1 1 A 29 29 GLY C C 29 174.455 175.141 -0.686 1
1 291 . 20 1 1 A 29 29 GLY CA C 29 47.297 46.903 0.394 1
1 292 . 20 1 1 A 29 29 GLY N N 29 129.863 113.691 16.172 1
1 293 . 20 1 1 A 30 30 VAL H H 30 7.792 8.181 -0.389 1
1 294 . 20 1 1 A 30 30 VAL HA H 30 4.391 4.428 -0.037 1
1 302 . 20 1 1 A 30 30 VAL C C 30 174.315 175.173 -0.858 1
1 303 . 20 1 1 A 30 30 VAL CA C 30 62.180 61.039 1.141 1
1 304 . 20 1 1 A 30 30 VAL CB C 30 35.931 31.729 4.202 1
1 307 . 20 1 1 A 30 30 VAL N N 30 112.711 118.753 -6.042 1
1 308 . 20 1 1 A 31 31 VAL H H 31 8.748 8.067 0.681 1
1 309 . 20 1 1 A 31 31 VAL C C 31 172.882 176.283 -3.401 1
1 310 . 20 1 1 A 31 31 VAL CA C 31 62.284 62.725 -0.441 1
1 311 . 20 1 1 A 31 31 VAL CB C 31 33.804 29.988 3.816 1
1 312 . 20 1 1 A 31 31 VAL N N 31 123.316 118.242 5.074 1
1 313 . 20 1 1 A 32 32 PRO HA H 32 5.038 4.461 0.577 1
1 320 . 20 1 1 A 32 32 PRO C C 32 179.633 177.908 1.725 1
1 321 . 20 1 1 A 32 32 PRO CA C 32 63.073 64.457 -1.384 1
1 322 . 20 1 1 A 32 32 PRO CB C 32 32.421 31.732 0.689 1
1 325 . 20 1 1 A 33 33 THR H H 33 8.739 7.701 1.038 1
1 326 . 20 1 1 A 33 33 THR HA H 33 3.896 4.132 -0.236 1
1 331 . 20 1 1 A 33 33 THR C C 33 174.735 176.066 -1.331 1
1 332 . 20 1 1 A 33 33 THR CA C 33 64.329 65.084 -0.755 1
1 333 . 20 1 1 A 33 33 THR CB C 33 67.929 69.736 -1.807 1
1 335 . 20 1 1 A 33 33 THR N N 33 120.858 111.370 9.488 1
1 336 . 20 1 1 A 34 34 GLY H H 34 8.303 8.098 0.205 1
1 337 . 20 1 1 A 34 34 GLY HA2 H 34 4.359 3.842 0.517 1
1 338 . 20 1 1 A 34 34 GLY HA3 H 34 3.451 3.848 -0.397 1
1 339 . 20 1 1 A 34 34 GLY C C 34 174.037 173.179 0.858 1
1 340 . 20 1 1 A 34 34 GLY CA C 34 45.067 46.472 -1.405 1
1 341 . 20 1 1 A 34 34 GLY N N 34 114.645 108.250 6.395 1
1 342 . 20 1 1 A 35 35 THR H H 35 7.405 7.185 0.220 1
1 343 . 20 1 1 A 35 35 THR HA H 35 4.073 4.865 -0.792 1
1 348 . 20 1 1 A 35 35 THR C C 35 174.540 173.895 0.645 1
1 349 . 20 1 1 A 35 35 THR CA C 35 65.137 61.162 3.975 1
1 350 . 20 1 1 A 35 35 THR CB C 35 69.484 72.618 -3.134 1
1 352 . 20 1 1 A 35 35 THR N N 35 117.340 113.552 3.788 1
1 353 . 20 1 1 A 36 36 ASN H H 36 8.836 8.355 0.481 1
1 354 . 20 1 1 A 36 36 ASN HA H 36 5.686 5.034 0.652 1
1 357 . 20 1 1 A 36 36 ASN C C 36 176.512 175.794 0.718 1
1 358 . 20 1 1 A 36 36 ASN CA C 36 50.439 50.695 -0.256 1
1 359 . 20 1 1 A 36 36 ASN CB C 36 40.274 40.152 0.122 1
1 360 . 20 1 1 A 36 36 ASN N N 36 127.379 122.769 4.610 1
1 361 . 20 1 1 A 37 37 LEU H H 37 8.045 8.450 -0.405 1
1 362 . 20 1 1 A 37 37 LEU HA H 37 4.142 4.056 0.086 1
1 372 . 20 1 1 A 37 37 LEU C C 37 178.931 178.352 0.579 1
1 373 . 20 1 1 A 37 37 LEU CA C 37 59.274 58.772 0.502 1
1 374 . 20 1 1 A 37 37 LEU CB C 37 42.159 41.447 0.712 1
1 378 . 20 1 1 A 37 37 LEU N N 37 119.164 120.167 -1.003 1
1 379 . 20 1 1 A 38 38 ASN H H 38 7.959 8.342 -0.383 1
1 380 . 20 1 1 A 38 38 ASN HA H 38 4.502 4.479 0.023 1
1 383 . 20 1 1 A 38 38 ASN C C 38 178.691 177.810 0.881 1
1 384 . 20 1 1 A 38 38 ASN CA C 38 57.080 55.934 1.146 1
1 385 . 20 1 1 A 38 38 ASN CB C 38 38.367 37.453 0.914 1
1 386 . 20 1 1 A 38 38 ASN N N 38 118.522 116.137 2.385 1
1 387 . 20 1 1 A 39 39 GLY H H 39 8.828 7.877 0.951 1
1 388 . 20 1 1 A 39 39 GLY HA2 H 39 4.088 3.737 0.351 1
1 389 . 20 1 1 A 39 39 GLY HA3 H 39 3.911 3.740 0.171 1
1 390 . 20 1 1 A 39 39 GLY C C 39 177.320 175.600 1.720 1
1 391 . 20 1 1 A 39 39 GLY CA C 39 46.879 47.099 -0.220 1
1 392 . 20 1 1 A 39 39 GLY N N 39 109.615 107.595 2.020 1
1 393 . 20 1 1 A 40 40 LEU H H 40 8.829 8.484 0.345 1
1 394 . 20 1 1 A 40 40 LEU HA H 40 4.504 4.042 0.462 1
1 404 . 20 1 1 A 40 40 LEU C C 40 177.788 178.794 -1.006 1
1 405 . 20 1 1 A 40 40 LEU CA C 40 57.770 57.905 -0.135 1
1 406 . 20 1 1 A 40 40 LEU CB C 40 41.713 42.040 -0.327 1
1 410 . 20 1 1 A 40 40 LEU N N 40 125.884 123.651 2.233 1
1 411 . 20 1 1 A 41 41 VAL H H 41 8.333 8.226 0.107 1
1 412 . 20 1 1 A 41 41 VAL HA H 41 3.328 3.816 -0.488 1
1 420 . 20 1 1 A 41 41 VAL C C 41 177.556 177.803 -0.247 1
1 421 . 20 1 1 A 41 41 VAL CA C 41 67.977 65.291 2.686 1
1 422 . 20 1 1 A 41 41 VAL CB C 41 31.080 31.088 -0.008 1
1 425 . 20 1 1 A 41 41 VAL N N 41 120.213 115.819 4.394 1
1 426 . 20 1 1 A 42 42 GLN H H 42 7.672 7.929 -0.257 1
1 427 . 20 1 1 A 42 42 GLN HA H 42 3.866 3.981 -0.115 1
1 432 . 20 1 1 A 42 42 GLN C C 42 177.980 178.161 -0.181 1
1 433 . 20 1 1 A 42 42 GLN CA C 42 58.694 58.875 -0.181 1
1 434 . 20 1 1 A 42 42 GLN CB C 42 27.809 28.878 -1.069 1
1 436 . 20 1 1 A 42 42 GLN N N 42 116.386 121.637 -5.251 1
1 437 . 20 1 1 A 43 43 LEU H H 43 8.080 7.576 0.504 1
1 438 . 20 1 1 A 43 43 LEU HA H 43 4.225 4.136 0.089 1
1 448 . 20 1 1 A 43 43 LEU C C 43 179.999 178.313 1.686 1
1 449 . 20 1 1 A 43 43 LEU CA C 43 58.275 57.115 1.160 1
1 450 . 20 1 1 A 43 43 LEU CB C 43 43.046 41.337 1.709 1
1 454 . 20 1 1 A 43 43 LEU N N 43 122.204 120.792 1.412 1
1 455 . 20 1 1 A 44 44 LEU H H 44 8.810 8.032 0.778 1
1 456 . 20 1 1 A 44 44 LEU HA H 44 4.384 4.235 0.149 1
1 466 . 20 1 1 A 44 44 LEU C C 44 179.311 178.837 0.474 1
1 467 . 20 1 1 A 44 44 LEU CA C 44 58.397 57.179 1.218 1
1 468 . 20 1 1 A 44 44 LEU CB C 44 41.553 42.275 -0.722 1
1 472 . 20 1 1 A 44 44 LEU N N 44 119.371 117.776 1.595 1
1 473 . 20 1 1 A 45 45 LYS H H 45 8.652 8.516 0.136 1
1 474 . 20 1 1 A 45 45 LYS HA H 45 3.678 4.165 -0.487 1
1 483 . 20 1 1 A 45 45 LYS C C 45 177.005 178.980 -1.975 1
1 484 . 20 1 1 A 45 45 LYS CA C 45 60.016 58.952 1.064 1
1 485 . 20 1 1 A 45 45 LYS CB C 45 32.411 32.405 0.006 1
1 489 . 20 1 1 A 45 45 LYS N N 45 120.434 119.955 0.479 1
1 490 . 20 1 1 A 46 46 THR H H 46 8.180 8.255 -0.075 1
1 491 . 20 1 1 A 46 46 THR HA H 46 4.027 4.086 -0.059 1
1 496 . 20 1 1 A 46 46 THR C C 46 176.217 176.269 -0.052 1
1 497 . 20 1 1 A 46 46 THR CA C 46 65.173 65.906 -0.733 1
1 498 . 20 1 1 A 46 46 THR CB C 46 69.680 68.423 1.257 1
1 500 . 20 1 1 A 46 46 THR N N 46 109.149 115.838 -6.689 1
1 501 . 20 1 1 A 47 47 ASN H H 47 8.170 7.720 0.450 1
1 502 . 20 1 1 A 47 47 ASN HA H 47 4.785 4.656 0.129 1
1 505 . 20 1 1 A 47 47 ASN C C 47 175.267 175.376 -0.109 1
1 506 . 20 1 1 A 47 47 ASN CA C 47 54.213 54.617 -0.404 1
1 507 . 20 1 1 A 47 47 ASN CB C 47 40.712 40.203 0.509 1
1 508 . 20 1 1 A 47 47 ASN N N 47 116.045 118.273 -2.228 1
1 509 . 20 1 1 A 48 48 TYR H H 48 8.094 7.957 0.137 1
1 510 . 20 1 1 A 48 48 TYR HA H 48 4.695 5.133 -0.438 1
1 513 . 20 1 1 A 48 48 TYR C C 48 175.011 176.553 -1.542 1
1 514 . 20 1 1 A 48 48 TYR CA C 48 60.273 56.214 4.059 1
1 515 . 20 1 1 A 48 48 TYR CB C 48 41.189 38.328 2.861 1
1 516 . 20 1 1 A 48 48 TYR N N 48 115.849 116.196 -0.347 1
1 517 . 20 1 1 A 49 49 VAL H H 49 7.769 7.857 -0.088 1
1 518 . 20 1 1 A 49 49 VAL HA H 49 3.715 4.035 -0.320 1
1 526 . 20 1 1 A 49 49 VAL C C 49 176.157 175.993 0.164 1
1 527 . 20 1 1 A 49 49 VAL CA C 49 63.454 64.490 -1.036 1
1 528 . 20 1 1 A 49 49 VAL CB C 49 31.695 32.434 -0.739 1
1 531 . 20 1 1 A 49 49 VAL N N 49 120.510 121.901 -1.391 1
1 532 . 20 1 1 A 50 50 LYS H H 50 8.334 8.103 0.231 1
1 533 . 20 1 1 A 50 50 LYS HA H 50 4.242 3.816 0.426 1
1 542 . 20 1 1 A 50 50 LYS C C 50 176.562 175.168 1.394 1
1 543 . 20 1 1 A 50 50 LYS CA C 50 55.979 57.698 -1.719 1
1 544 . 20 1 1 A 50 50 LYS CB C 50 32.822 29.980 2.842 1
1 548 . 20 1 1 A 50 50 LYS N N 50 125.933 120.716 5.217 1
1 549 . 20 1 1 A 51 51 GLU H H 51 7.598 7.800 -0.202 1
1 550 . 20 1 1 A 51 51 GLU HA H 51 4.328 4.596 -0.268 1
1 553 . 20 1 1 A 51 51 GLU C C 51 172.975 174.826 -1.851 1
1 554 . 20 1 1 A 51 51 GLU CA C 51 55.074 55.282 -0.208 1
1 555 . 20 1 1 A 51 51 GLU CB C 51 32.633 32.340 0.293 1
1 557 . 20 1 1 A 51 51 GLU N N 51 117.804 118.045 -0.241 1
1 558 . 20 1 1 A 52 52 ARG H H 52 8.383 8.560 -0.177 1
1 559 . 20 1 1 A 52 52 ARG CA C 52 53.279 52.736 0.543 1
1 560 . 20 1 1 A 52 52 ARG CB C 52 26.615 30.918 -4.303 1
1 561 . 20 1 1 A 52 52 ARG N N 52 111.793 122.024 -10.231 1
1 562 . 20 1 1 A 53 53 PRO HA H 53 4.029 4.337 -0.308 1
1 569 . 20 1 1 A 53 53 PRO C C 53 177.018 177.561 -0.543 1
1 570 . 20 1 1 A 53 53 PRO CA C 53 65.474 64.757 0.717 1
1 571 . 20 1 1 A 53 53 PRO CB C 53 30.916 31.994 -1.078 1
1 574 . 20 1 1 A 53 53 PRO N N 53 111.793 140.402 -28.609 1
1 575 . 20 1 1 A 54 54 ASP H H 54 8.462 8.565 -0.103 1
1 576 . 20 1 1 A 54 54 ASP HA H 54 4.345 4.632 -0.287 1
1 579 . 20 1 1 A 54 54 ASP C C 54 176.493 177.620 -1.127 1
1 580 . 20 1 1 A 54 54 ASP CA C 54 54.982 54.432 0.550 1
1 581 . 20 1 1 A 54 54 ASP CB C 54 39.451 41.329 -1.878 1
1 582 . 20 1 1 A 54 54 ASP N N 54 113.848 117.000 -3.152 1
1 583 . 20 1 1 A 55 55 LEU H H 55 7.766 7.961 -0.195 1
1 584 . 20 1 1 A 55 55 LEU HA H 55 4.235 4.230 0.005 1
1 594 . 20 1 1 A 55 55 LEU C C 55 175.873 178.308 -2.435 1
1 595 . 20 1 1 A 55 55 LEU CA C 55 55.305 56.420 -1.115 1
1 596 . 20 1 1 A 55 55 LEU CB C 55 41.271 42.324 -1.053 1
1 600 . 20 1 1 A 55 55 LEU N N 55 117.721 117.163 0.558 1
1 601 . 20 1 1 A 56 56 LEU H H 56 7.630 7.673 -0.043 1
1 602 . 20 1 1 A 56 56 LEU HA H 56 4.552 4.484 0.068 1
1 612 . 20 1 1 A 56 56 LEU C C 56 175.341 177.135 -1.794 1
1 613 . 20 1 1 A 56 56 LEU CA C 56 55.516 55.602 -0.086 1
1 614 . 20 1 1 A 56 56 LEU CB C 56 44.910 43.027 1.883 1
1 618 . 20 1 1 A 56 56 LEU N N 56 118.796 115.987 2.809 1
1 619 . 20 1 1 A 57 57 VAL H H 57 7.206 6.806 0.400 1
1 620 . 20 1 1 A 57 57 VAL HA H 57 5.048 4.349 0.699 1
1 628 . 20 1 1 A 57 57 VAL C C 57 175.020 175.967 -0.947 1
1 629 . 20 1 1 A 57 57 VAL CA C 57 58.550 62.146 -3.596 1
1 630 . 20 1 1 A 57 57 VAL CB C 57 35.049 32.541 2.508 1
1 633 . 20 1 1 A 57 57 VAL N N 57 106.872 119.812 -12.940 1
1 634 . 20 1 1 A 58 58 ASP H H 58 8.447 8.686 -0.239 1
1 635 . 20 1 1 A 58 58 ASP HA H 58 4.459 4.279 0.180 1
1 638 . 20 1 1 A 58 58 ASP C C 58 177.406 177.223 0.183 1
1 639 . 20 1 1 A 58 58 ASP CA C 58 53.130 56.858 -3.728 1
1 640 . 20 1 1 A 58 58 ASP CB C 58 40.985 41.263 -0.278 1
1 641 . 20 1 1 A 58 58 ASP N N 58 118.741 123.947 -5.206 1
1 642 . 20 1 1 A 59 59 GLN H H 59 8.883 7.936 0.947 1
1 643 . 20 1 1 A 59 59 GLN HA H 59 4.031 4.597 -0.566 1
1 648 . 20 1 1 A 59 59 GLN C C 59 177.499 176.673 0.826 1
1 649 . 20 1 1 A 59 59 GLN CA C 59 59.120 57.041 2.079 1
1 650 . 20 1 1 A 59 59 GLN CB C 59 28.389 30.980 -2.591 1
1 652 . 20 1 1 A 59 59 GLN N N 59 119.603 116.987 2.616 1
1 653 . 20 1 1 A 60 60 THR H H 60 8.060 8.131 -0.071 1
1 654 . 20 1 1 A 60 60 THR HA H 60 4.296 4.418 -0.122 1
1 659 . 20 1 1 A 60 60 THR C C 60 176.363 175.340 1.023 1
1 660 . 20 1 1 A 60 60 THR CA C 60 63.358 62.473 0.885 1
1 661 . 20 1 1 A 60 60 THR CB C 60 70.577 69.371 1.206 1
1 663 . 20 1 1 A 60 60 THR N N 60 109.323 109.795 -0.472 1
1 664 . 20 1 1 A 61 61 GLY H H 61 8.001 7.972 0.029 1
1 665 . 20 1 1 A 61 61 GLY HA2 H 61 4.173 3.908 0.265 1
1 666 . 20 1 1 A 61 61 GLY HA3 H 61 3.610 3.912 -0.302 1
1 667 . 20 1 1 A 61 61 GLY C C 61 174.049 174.331 -0.282 1
1 668 . 20 1 1 A 61 61 GLY CA C 61 45.301 46.382 -1.081 1
1 669 . 20 1 1 A 61 61 GLY N N 61 109.323 110.734 -1.411 1
1 670 . 20 1 1 A 62 62 GLN H H 62 8.091 7.928 0.163 1
1 671 . 20 1 1 A 62 62 GLN HA H 62 4.172 4.622 -0.450 1
1 674 . 20 1 1 A 62 62 GLN C C 62 175.201 175.619 -0.418 1
1 675 . 20 1 1 A 62 62 GLN CA C 62 56.474 57.026 -0.552 1
1 676 . 20 1 1 A 62 62 GLN CB C 62 30.618 31.043 -0.425 1
1 678 . 20 1 1 A 62 62 GLN N N 62 117.247 120.194 -2.947 1
1 679 . 20 1 1 A 63 63 THR H H 63 7.740 7.674 0.066 1
1 680 . 20 1 1 A 63 63 THR HA H 63 4.624 4.886 -0.262 1
1 685 . 20 1 1 A 63 63 THR C C 63 172.622 173.666 -1.044 1
1 686 . 20 1 1 A 63 63 THR CA C 63 59.718 60.271 -0.553 1
1 687 . 20 1 1 A 63 63 THR CB C 63 70.832 70.750 0.082 1
1 689 . 20 1 1 A 63 63 THR N N 63 113.860 109.604 4.256 1
1 690 . 20 1 1 A 64 64 LEU H H 64 8.364 8.826 -0.462 1
1 691 . 20 1 1 A 64 64 LEU HA H 64 4.324 5.291 -0.967 1
1 701 . 20 1 1 A 64 64 LEU C C 64 176.311 176.704 -0.393 1
1 702 . 20 1 1 A 64 64 LEU CA C 64 55.025 53.427 1.598 1
1 703 . 20 1 1 A 64 64 LEU CB C 64 43.871 45.100 -1.229 1
1 707 . 20 1 1 A 64 64 LEU N N 64 123.689 120.879 2.810 1
1 708 . 20 1 1 A 65 65 ARG H H 65 8.192 9.002 -0.810 1
1 709 . 20 1 1 A 65 65 ARG C C 65 173.609 175.324 -1.715 1
1 710 . 20 1 1 A 65 65 ARG CA C 65 55.287 54.617 0.670 1
1 711 . 20 1 1 A 65 65 ARG CB C 65 29.681 30.589 -0.908 1
1 712 . 20 1 1 A 65 65 ARG N N 65 126.639 121.647 4.992 1
1 713 . 20 1 1 A 66 66 PRO HA H 66 4.390 4.296 0.094 1
1 720 . 20 1 1 A 66 66 PRO C C 66 177.030 177.414 -0.384 1
1 721 . 20 1 1 A 66 66 PRO CA C 66 63.719 63.798 -0.079 1
1 722 . 20 1 1 A 66 66 PRO CB C 66 31.825 31.409 0.416 1
1 725 . 20 1 1 A 66 66 PRO N N 66 126.639 137.858 -11.219 1
1 726 . 20 1 1 A 67 67 GLY H H 67 8.744 8.834 -0.090 1
1 727 . 20 1 1 A 67 67 GLY HA2 H 67 4.232 4.003 0.229 1
1 728 . 20 1 1 A 67 67 GLY HA3 H 67 3.544 4.015 -0.471 1
1 729 . 20 1 1 A 67 67 GLY C C 67 174.319 174.839 -0.520 1
1 730 . 20 1 1 A 67 67 GLY CA C 67 44.818 45.377 -0.559 1
1 731 . 20 1 1 A 68 68 ILE H H 68 7.522 7.387 0.135 1
1 732 . 20 1 1 A 68 68 ILE HA H 68 4.690 4.476 0.214 1
1 742 . 20 1 1 A 68 68 ILE C C 68 174.703 175.197 -0.494 1
1 743 . 20 1 1 A 68 68 ILE CA C 68 61.047 60.811 0.236 1
1 744 . 20 1 1 A 68 68 ILE CB C 68 38.090 38.227 -0.137 1
1 748 . 20 1 1 A 68 68 ILE N N 68 121.049 121.370 -0.321 1
1 749 . 20 1 1 A 69 69 LEU H H 69 9.207 9.586 -0.379 1
1 750 . 20 1 1 A 69 69 LEU HA H 69 4.449 4.901 -0.452 1
1 760 . 20 1 1 A 69 69 LEU C C 69 174.991 175.841 -0.850 1
1 761 . 20 1 1 A 69 69 LEU CA C 69 54.106 53.773 0.333 1
1 762 . 20 1 1 A 69 69 LEU CB C 69 43.588 42.202 1.386 1
1 766 . 20 1 1 A 69 69 LEU N N 69 131.197 128.012 3.185 1
1 767 . 20 1 1 A 70 70 VAL H H 70 8.149 8.518 -0.369 1
1 768 . 20 1 1 A 70 70 VAL HA H 70 4.955 4.490 0.465 1
1 776 . 20 1 1 A 70 70 VAL C C 70 175.167 175.458 -0.291 1
1 777 . 20 1 1 A 70 70 VAL CA C 70 59.928 61.497 -1.569 1
1 778 . 20 1 1 A 70 70 VAL CB C 70 33.239 32.667 0.572 1
1 781 . 20 1 1 A 70 70 VAL N N 70 121.953 123.578 -1.625 1
1 782 . 20 1 1 A 71 71 LEU H H 71 8.881 8.135 0.746 1
1 783 . 20 1 1 A 71 71 LEU HA H 71 4.922 5.210 -0.288 1
1 793 . 20 1 1 A 71 71 LEU C C 71 176.487 175.836 0.651 1
1 794 . 20 1 1 A 71 71 LEU CA C 71 52.627 53.401 -0.774 1
1 795 . 20 1 1 A 71 71 LEU CB C 71 44.487 45.405 -0.918 1
1 799 . 20 1 1 A 71 71 LEU N N 71 126.071 125.704 0.367 1
1 800 . 20 1 1 A 72 72 VAL H H 72 9.048 8.640 0.408 1
1 801 . 20 1 1 A 72 72 VAL HA H 72 4.351 4.780 -0.429 1
1 809 . 20 1 1 A 72 72 VAL C C 72 176.078 176.289 -0.211 1
1 810 . 20 1 1 A 72 72 VAL CA C 72 60.886 61.269 -0.383 1
1 811 . 20 1 1 A 72 72 VAL CB C 72 33.141 33.911 -0.770 1
1 814 . 20 1 1 A 72 72 VAL N N 72 120.969 124.099 -3.130 1
1 815 . 20 1 1 A 73 73 ASN H H 73 9.630 9.469 0.161 1
1 816 . 20 1 1 A 73 73 ASN HA H 73 4.335 4.425 -0.090 1
1 821 . 20 1 1 A 73 73 ASN C C 73 175.496 174.907 0.589 1
1 822 . 20 1 1 A 73 73 ASN CA C 73 54.736 54.625 0.111 1
1 823 . 20 1 1 A 73 73 ASN CB C 73 36.825 37.025 -0.200 1
1 824 . 20 1 1 A 73 73 ASN N N 73 129.082 127.653 1.429 1
1 825 . 20 1 1 A 74 74 SER H H 74 9.308 8.441 0.867 1
1 826 . 20 1 1 A 74 74 SER C C 74 172.584 174.144 -1.560 1
1 827 . 20 1 1 A 74 74 SER N N 74 106.084 111.879 -5.795 1
1 828 . 20 1 1 A 75 75 CYS H H 75 7.845 7.655 0.190 1
1 829 . 20 1 1 A 75 75 CYS C C 75 176.045 174.051 1.994 1
1 830 . 20 1 1 A 75 75 CYS CA C 75 57.152 57.849 -0.697 1
1 831 . 20 1 1 A 75 75 CYS CB C 75 29.101 28.465 0.636 1
1 832 . 20 1 1 A 75 75 CYS N N 75 120.460 119.168 1.292 1
1 833 . 20 1 1 A 76 76 ASP H H 76 8.766 8.214 0.552 1
1 834 . 20 1 1 A 76 76 ASP HA H 76 4.295 4.618 -0.323 1
1 837 . 20 1 1 A 76 76 ASP C C 76 177.713 176.081 1.632 1
1 838 . 20 1 1 A 76 76 ASP CA C 76 55.721 55.758 -0.037 1
1 839 . 20 1 1 A 76 76 ASP CB C 76 41.513 39.703 1.810 1
1 840 . 20 1 1 A 76 76 ASP N N 76 126.661 117.526 9.135 1
1 841 . 20 1 1 A 77 77 ALA H H 77 8.555 8.123 0.432 1
1 842 . 20 1 1 A 77 77 ALA HA H 77 3.688 4.046 -0.358 1
1 846 . 20 1 1 A 77 77 ALA C C 77 180.149 178.921 1.228 1
1 847 . 20 1 1 A 77 77 ALA CA C 77 54.334 54.059 0.275 1
1 848 . 20 1 1 A 77 77 ALA CB C 77 18.453 18.672 -0.219 1
1 849 . 20 1 1 A 77 77 ALA N N 77 128.302 125.617 2.685 1
1 850 . 20 1 1 A 78 78 GLU H H 78 9.034 8.286 0.748 1
1 851 . 20 1 1 A 78 78 GLU HA H 78 3.763 4.079 -0.316 1
1 856 . 20 1 1 A 78 78 GLU C C 78 179.359 178.666 0.693 1
1 857 . 20 1 1 A 78 78 GLU CA C 78 59.569 59.380 0.189 1
1 858 . 20 1 1 A 78 78 GLU CB C 78 29.511 29.221 0.290 1
1 860 . 20 1 1 A 78 78 GLU N N 78 117.499 116.570 0.929 1
1 861 . 20 1 1 A 79 79 VAL H H 79 7.753 7.802 -0.049 1
1 862 . 20 1 1 A 79 79 VAL HA H 79 3.927 3.568 0.359 1
1 870 . 20 1 1 A 79 79 VAL C C 79 177.408 178.075 -0.667 1
1 871 . 20 1 1 A 79 79 VAL CA C 79 64.439 66.366 -1.927 1
1 872 . 20 1 1 A 79 79 VAL CB C 79 31.904 31.563 0.341 1
1 875 . 20 1 1 A 79 79 VAL N N 79 115.536 121.102 -5.566 1
1 876 . 20 1 1 A 80 80 VAL H H 80 7.123 7.607 -0.484 1
1 877 . 20 1 1 A 80 80 VAL HA H 80 4.443 3.908 0.535 1
1 885 . 20 1 1 A 80 80 VAL C C 80 175.020 176.219 -1.199 1
1 886 . 20 1 1 A 80 80 VAL CA C 80 60.286 64.066 -3.780 1
1 887 . 20 1 1 A 80 80 VAL CB C 80 30.948 32.259 -1.311 1
1 890 . 20 1 1 A 80 80 VAL N N 80 109.738 115.377 -5.639 1
1 891 . 20 1 1 A 81 81 GLY H H 81 7.210 7.179 0.031 1
1 892 . 20 1 1 A 81 81 GLY HA2 H 81 4.511 4.049 0.462 1
1 893 . 20 1 1 A 81 81 GLY HA3 H 81 3.664 4.093 -0.429 1
1 894 . 20 1 1 A 81 81 GLY C C 81 175.262 174.912 0.350 1
1 895 . 20 1 1 A 81 81 GLY CA C 81 44.964 45.197 -0.233 1
1 896 . 20 1 1 A 81 81 GLY N N 81 106.697 110.520 -3.823 1
1 897 . 20 1 1 A 82 82 GLY H H 82 8.673 8.676 -0.003 1
1 898 . 20 1 1 A 82 82 GLY HA2 H 82 4.022 3.802 0.220 1
1 899 . 20 1 1 A 82 82 GLY HA3 H 82 3.150 3.818 -0.668 1
1 900 . 20 1 1 A 82 82 GLY C C 82 174.547 174.865 -0.318 1
1 901 . 20 1 1 A 82 82 GLY CA C 82 45.151 47.264 -2.113 1
1 902 . 20 1 1 A 82 82 GLY N N 82 111.931 109.016 2.915 1
1 903 . 20 1 1 A 83 83 MET H H 83 8.841 8.764 0.077 1
1 904 . 20 1 1 A 83 83 MET HA H 83 4.582 4.588 -0.006 1
1 909 . 20 1 1 A 83 83 MET C C 83 176.001 175.972 0.029 1
1 910 . 20 1 1 A 83 83 MET CA C 83 55.737 54.654 1.083 1
1 911 . 20 1 1 A 83 83 MET CB C 83 30.273 32.014 -1.741 1
1 913 . 20 1 1 A 83 83 MET N N 83 119.840 124.869 -5.029 1
1 914 . 20 1 1 A 84 84 ASP H H 84 7.395 8.707 -1.312 1
1 915 . 20 1 1 A 84 84 ASP HA H 84 4.695 4.868 -0.173 1
1 918 . 20 1 1 A 84 84 ASP C C 84 176.694 175.456 1.238 1
1 919 . 20 1 1 A 84 84 ASP CA C 84 54.300 53.373 0.927 1
1 920 . 20 1 1 A 84 84 ASP CB C 84 41.551 41.078 0.473 1
1 921 . 20 1 1 A 84 84 ASP N N 84 114.478 120.587 -6.109 1
1 922 . 20 1 1 A 85 85 TYR H H 85 7.930 8.032 -0.102 1
1 923 . 20 1 1 A 85 85 TYR HA H 85 4.148 4.899 -0.751 1
1 926 . 20 1 1 A 85 85 TYR C C 85 173.845 174.867 -1.022 1
1 927 . 20 1 1 A 85 85 TYR CA C 85 59.520 57.439 2.081 1
1 928 . 20 1 1 A 85 85 TYR CB C 85 38.105 40.331 -2.226 1
1 929 . 20 1 1 A 85 85 TYR N N 85 123.769 122.407 1.362 1
1 930 . 20 1 1 A 86 86 VAL H H 86 7.755 8.297 -0.542 1
1 931 . 20 1 1 A 86 86 VAL HA H 86 3.402 4.516 -1.114 1
1 939 . 20 1 1 A 86 86 VAL C C 86 173.896 175.767 -1.871 1
1 940 . 20 1 1 A 86 86 VAL CA C 86 62.779 60.905 1.874 1
1 941 . 20 1 1 A 86 86 VAL CB C 86 31.843 32.856 -1.013 1
1 944 . 20 1 1 A 86 86 VAL N N 86 130.130 124.042 6.088 1
1 945 . 20 1 1 A 87 87 LEU H H 87 7.069 8.194 -1.125 1
1 946 . 20 1 1 A 87 87 LEU HA H 87 3.833 4.526 -0.693 1
1 956 . 20 1 1 A 87 87 LEU C C 87 176.432 176.392 0.040 1
1 957 . 20 1 1 A 87 87 LEU CA C 87 55.977 53.949 2.028 1
1 958 . 20 1 1 A 87 87 LEU CB C 87 42.126 42.144 -0.018 1
1 962 . 20 1 1 A 87 87 LEU N N 87 121.577 125.590 -4.013 1
1 963 . 20 1 1 A 88 88 ASN H H 88 8.705 9.077 -0.372 1
1 964 . 20 1 1 A 88 88 ASN HA H 88 4.717 4.857 -0.140 1
1 967 . 20 1 1 A 88 88 ASN C C 88 173.156 174.486 -1.330 1
1 968 . 20 1 1 A 88 88 ASN CA C 88 51.471 54.899 -3.428 1
1 969 . 20 1 1 A 88 88 ASN CB C 88 41.622 41.075 0.547 1
1 970 . 20 1 1 A 88 88 ASN N N 88 120.561 119.571 0.990 1
1 971 . 20 1 1 A 89 89 ASP H H 89 8.482 7.954 0.528 1
1 972 . 20 1 1 A 89 89 ASP HA H 89 3.937 4.850 -0.913 1
1 975 . 20 1 1 A 89 89 ASP C C 89 178.751 175.469 3.282 1
1 976 . 20 1 1 A 89 89 ASP CA C 89 56.268 53.576 2.692 1
1 977 . 20 1 1 A 89 89 ASP CB C 89 40.380 41.169 -0.789 1
1 978 . 20 1 1 A 89 89 ASP N N 89 122.084 117.266 4.818 1
1 979 . 20 1 1 A 90 90 GLY H H 90 9.334 8.187 1.147 1
1 980 . 20 1 1 A 90 90 GLY HA2 H 90 4.314 4.052 0.262 1
1 981 . 20 1 1 A 90 90 GLY HA3 H 90 3.619 4.052 -0.433 1
1 982 . 20 1 1 A 90 90 GLY C C 90 174.907 174.430 0.477 1
1 983 . 20 1 1 A 90 90 GLY CA C 90 45.076 45.485 -0.409 1
1 984 . 20 1 1 A 90 90 GLY N N 90 117.218 110.052 7.166 1
1 985 . 20 1 1 A 91 91 ASP H H 91 7.987 8.220 -0.233 1
1 986 . 20 1 1 A 91 91 ASP HA H 91 4.745 4.732 0.013 1
1 989 . 20 1 1 A 91 91 ASP C C 91 175.436 175.445 -0.009 1
1 990 . 20 1 1 A 91 91 ASP CA C 91 55.954 54.148 1.806 1
1 991 . 20 1 1 A 91 91 ASP CB C 91 41.876 41.993 -0.117 1
1 992 . 20 1 1 A 91 91 ASP N N 91 122.336 120.951 1.385 1
1 993 . 20 1 1 A 92 92 THR H H 92 8.227 8.698 -0.471 1
1 994 . 20 1 1 A 92 92 THR HA H 92 5.093 5.308 -0.215 1
1 999 . 20 1 1 A 92 92 THR C C 92 173.702 172.942 0.760 1
1 1000 . 20 1 1 A 92 92 THR CA C 92 61.477 61.698 -0.221 1
1 1001 . 20 1 1 A 92 92 THR CB C 92 70.032 71.177 -1.145 1
1 1003 . 20 1 1 A 92 92 THR N N 92 115.456 116.219 -0.763 1
1 1004 . 20 1 1 A 93 93 VAL H H 93 9.039 9.451 -0.412 1
1 1005 . 20 1 1 A 93 93 VAL HA H 93 4.731 5.163 -0.432 1
1 1013 . 20 1 1 A 93 93 VAL C C 93 173.391 173.839 -0.448 1
1 1014 . 20 1 1 A 93 93 VAL CA C 93 59.984 59.739 0.245 1
1 1015 . 20 1 1 A 93 93 VAL CB C 93 33.978 34.535 -0.557 1
1 1018 . 20 1 1 A 93 93 VAL N N 93 129.109 126.578 2.531 1
1 1019 . 20 1 1 A 94 94 GLU H H 94 9.012 8.470 0.542 1
1 1020 . 20 1 1 A 94 94 GLU HA H 94 4.941 5.207 -0.266 1
1 1025 . 20 1 1 A 94 94 GLU C C 94 173.669 174.932 -1.263 1
1 1026 . 20 1 1 A 94 94 GLU CA C 94 53.577 54.433 -0.856 1
1 1027 . 20 1 1 A 94 94 GLU CB C 94 32.853 33.283 -0.430 1
1 1029 . 20 1 1 A 94 94 GLU N N 94 126.881 127.194 -0.313 1
1 1030 . 20 1 1 A 95 95 PHE H H 95 9.012 8.663 0.349 1
1 1031 . 20 1 1 A 95 95 PHE HA H 95 4.941 5.191 -0.250 1
1 1034 . 20 1 1 A 95 95 PHE C C 95 174.687 174.595 0.092 1
1 1035 . 20 1 1 A 95 95 PHE CA C 95 56.843 56.542 0.301 1
1 1036 . 20 1 1 A 95 95 PHE CB C 95 40.889 40.741 0.148 1
1 1037 . 20 1 1 A 95 95 PHE N N 95 122.718 120.595 2.123 1
1 1038 . 20 1 1 A 96 96 ILE H H 96 9.292 9.199 0.093 1
1 1039 . 20 1 1 A 96 96 ILE HA H 96 4.573 5.063 -0.490 1
1 1049 . 20 1 1 A 96 96 ILE C C 96 175.897 174.543 1.354 1
1 1050 . 20 1 1 A 96 96 ILE CA C 96 59.748 60.278 -0.530 1
1 1051 . 20 1 1 A 96 96 ILE CB C 96 40.938 39.653 1.285 1
1 1055 . 20 1 1 A 96 96 ILE N N 96 123.112 124.778 -1.666 1
1 1056 . 20 1 1 A 97 97 SER H H 97 8.245 8.888 -0.643 1
1 1057 . 20 1 1 A 97 97 SER HA H 97 4.800 4.785 0.015 1
1 1060 . 20 1 1 A 97 97 SER C C 97 175.130 174.026 1.104 1
1 1061 . 20 1 1 A 97 97 SER CA C 97 58.154 57.726 0.428 1
1 1062 . 20 1 1 A 97 97 SER CB C 97 63.137 63.843 -0.706 1
1 1063 . 20 1 1 A 97 97 SER N N 97 121.343 122.236 -0.893 1
1 1064 . 20 1 1 A 98 98 THR H H 98 8.181 8.838 -0.657 1
1 1065 . 20 1 1 A 98 98 THR HA H 98 4.549 4.580 -0.031 1
1 1070 . 20 1 1 A 98 98 THR C C 98 174.729 174.217 0.512 1
1 1071 . 20 1 1 A 98 98 THR CA C 98 61.603 62.286 -0.683 1
1 1072 . 20 1 1 A 98 98 THR CB C 98 69.890 70.177 -0.287 1
1 1074 . 20 1 1 A 98 98 THR N N 98 116.451 117.879 -1.428 1
1 1075 . 20 1 1 A 99 99 LEU H H 99 8.033 7.291 0.742 1
1 1076 . 20 1 1 A 99 99 LEU HA H 99 4.234 4.394 -0.160 1
1 1086 . 20 1 1 A 99 99 LEU C C 99 177.349 175.728 1.621 1
1 1087 . 20 1 1 A 99 99 LEU CA C 99 55.517 54.268 1.249 1
1 1088 . 20 1 1 A 99 99 LEU CB C 99 41.996 41.465 0.531 1
1 1092 . 20 1 1 A 99 99 LEU N N 99 122.869 123.169 -0.300 1
1 1093 . 20 1 1 A 100 100 HIS H H 100 8.558 8.725 -0.167 1
1 1094 . 20 1 1 A 100 100 HIS HA H 100 4.460 5.190 -0.730 1
1 1097 . 20 1 1 A 100 100 HIS C C 100 175.718 173.564 2.154 1
1 1098 . 20 1 1 A 100 100 HIS CA C 100 56.096 53.921 2.175 1
1 1099 . 20 1 1 A 100 100 HIS CB C 100 29.709 30.089 -0.380 1
1 1100 . 20 1 1 A 100 100 HIS N N 100 120.437 126.747 -6.310 1
1 1101 . 20 1 1 A 101 101 GLY H H 101 8.477 8.334 0.143 1
1 1102 . 20 1 1 A 101 101 GLY HA2 H 101 3.888 4.110 -0.222 1
1 1103 . 20 1 1 A 101 101 GLY HA3 H 101 3.888 4.181 -0.293 1
1 1104 . 20 1 1 A 101 101 GLY C C 101 174.614 172.063 2.551 1
1 1105 . 20 1 1 A 101 101 GLY CA C 101 45.529 45.639 -0.110 1
1 1106 . 20 1 1 A 101 101 GLY N N 101 110.340 112.597 -2.257 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 98 1.282 1
2 1 1 1 "RMS(OBS, PRED)" CA 98 1.600 1
3 1 1 1 "RMS(OBS, PRED)" CB 86 1.490 1
4 1 1 1 "RMS(OBS, PRED)" H 96 0.609 1
5 1 1 1 "RMS(OBS, PRED)" HA 105 0.421 1
6 1 1 1 "RMS(OBS, PRED)" N 97 5.381 1
7 1 2 1 "RMS(OBS, PRED)" C 98 1.214 1
8 1 2 1 "RMS(OBS, PRED)" CA 98 1.557 1
9 1 2 1 "RMS(OBS, PRED)" CB 86 1.666 1
10 1 2 1 "RMS(OBS, PRED)" H 96 0.558 1
11 1 2 1 "RMS(OBS, PRED)" HA 105 0.451 1
12 1 2 1 "RMS(OBS, PRED)" N 97 5.386 1
13 1 3 1 "RMS(OBS, PRED)" C 98 1.281 1
14 1 3 1 "RMS(OBS, PRED)" CA 98 1.697 1
15 1 3 1 "RMS(OBS, PRED)" CB 86 1.536 1
16 1 3 1 "RMS(OBS, PRED)" H 96 0.629 1
17 1 3 1 "RMS(OBS, PRED)" HA 105 0.431 1
18 1 3 1 "RMS(OBS, PRED)" N 97 5.298 1
19 1 4 1 "RMS(OBS, PRED)" C 98 1.163 1
20 1 4 1 "RMS(OBS, PRED)" CA 98 1.500 1
21 1 4 1 "RMS(OBS, PRED)" CB 86 1.618 1
22 1 4 1 "RMS(OBS, PRED)" H 96 0.539 1
23 1 4 1 "RMS(OBS, PRED)" HA 105 0.411 1
24 1 4 1 "RMS(OBS, PRED)" N 97 5.221 1
25 1 5 1 "RMS(OBS, PRED)" C 98 1.239 1
26 1 5 1 "RMS(OBS, PRED)" CA 98 1.357 1
27 1 5 1 "RMS(OBS, PRED)" CB 86 1.690 1
28 1 5 1 "RMS(OBS, PRED)" H 96 0.573 1
29 1 5 1 "RMS(OBS, PRED)" HA 105 0.404 1
30 1 5 1 "RMS(OBS, PRED)" N 97 5.394 1
31 1 6 1 "RMS(OBS, PRED)" C 98 1.224 1
32 1 6 1 "RMS(OBS, PRED)" CA 98 1.483 1
33 1 6 1 "RMS(OBS, PRED)" CB 86 1.509 1
34 1 6 1 "RMS(OBS, PRED)" H 96 0.583 1
35 1 6 1 "RMS(OBS, PRED)" HA 105 0.423 1
36 1 6 1 "RMS(OBS, PRED)" N 97 5.387 1
37 1 7 1 "RMS(OBS, PRED)" C 98 1.227 1
38 1 7 1 "RMS(OBS, PRED)" CA 98 1.539 1
39 1 7 1 "RMS(OBS, PRED)" CB 86 1.539 1
40 1 7 1 "RMS(OBS, PRED)" H 96 0.532 1
41 1 7 1 "RMS(OBS, PRED)" HA 105 0.439 1
42 1 7 1 "RMS(OBS, PRED)" N 97 5.270 1
43 1 8 1 "RMS(OBS, PRED)" C 98 1.213 1
44 1 8 1 "RMS(OBS, PRED)" CA 98 1.435 1
45 1 8 1 "RMS(OBS, PRED)" CB 86 1.336 1
46 1 8 1 "RMS(OBS, PRED)" H 96 0.602 1
47 1 8 1 "RMS(OBS, PRED)" HA 105 0.389 1
48 1 8 1 "RMS(OBS, PRED)" N 97 5.331 1
49 1 9 1 "RMS(OBS, PRED)" C 98 1.318 1
50 1 9 1 "RMS(OBS, PRED)" CA 98 1.630 1
51 1 9 1 "RMS(OBS, PRED)" CB 86 1.625 1
52 1 9 1 "RMS(OBS, PRED)" H 96 0.560 1
53 1 9 1 "RMS(OBS, PRED)" HA 105 0.427 1
54 1 9 1 "RMS(OBS, PRED)" N 97 5.526 1
55 1 10 1 "RMS(OBS, PRED)" C 98 1.197 1
56 1 10 1 "RMS(OBS, PRED)" CA 98 1.511 1
57 1 10 1 "RMS(OBS, PRED)" CB 86 1.497 1
58 1 10 1 "RMS(OBS, PRED)" H 96 0.581 1
59 1 10 1 "RMS(OBS, PRED)" HA 105 0.430 1
60 1 10 1 "RMS(OBS, PRED)" N 97 5.632 1
61 1 11 1 "RMS(OBS, PRED)" C 98 1.300 1
62 1 11 1 "RMS(OBS, PRED)" CA 98 1.501 1
63 1 11 1 "RMS(OBS, PRED)" CB 86 1.419 1
64 1 11 1 "RMS(OBS, PRED)" H 96 0.602 1
65 1 11 1 "RMS(OBS, PRED)" HA 105 0.413 1
66 1 11 1 "RMS(OBS, PRED)" N 97 5.590 1
67 1 12 1 "RMS(OBS, PRED)" C 98 1.344 1
68 1 12 1 "RMS(OBS, PRED)" CA 98 1.519 1
69 1 12 1 "RMS(OBS, PRED)" CB 86 1.546 1
70 1 12 1 "RMS(OBS, PRED)" H 96 0.581 1
71 1 12 1 "RMS(OBS, PRED)" HA 105 0.429 1
72 1 12 1 "RMS(OBS, PRED)" N 97 5.279 1
73 1 13 1 "RMS(OBS, PRED)" C 98 1.252 1
74 1 13 1 "RMS(OBS, PRED)" CA 98 1.629 1
75 1 13 1 "RMS(OBS, PRED)" CB 86 1.594 1
76 1 13 1 "RMS(OBS, PRED)" H 96 0.545 1
77 1 13 1 "RMS(OBS, PRED)" HA 105 0.435 1
78 1 13 1 "RMS(OBS, PRED)" N 97 5.415 1
79 1 14 1 "RMS(OBS, PRED)" C 98 1.310 1
80 1 14 1 "RMS(OBS, PRED)" CA 98 1.607 1
81 1 14 1 "RMS(OBS, PRED)" CB 86 1.660 1
82 1 14 1 "RMS(OBS, PRED)" H 96 0.574 1
83 1 14 1 "RMS(OBS, PRED)" HA 105 0.463 1
84 1 14 1 "RMS(OBS, PRED)" N 97 5.298 1
85 1 15 1 "RMS(OBS, PRED)" C 98 1.202 1
86 1 15 1 "RMS(OBS, PRED)" CA 98 1.659 1
87 1 15 1 "RMS(OBS, PRED)" CB 86 1.650 1
88 1 15 1 "RMS(OBS, PRED)" H 96 0.577 1
89 1 15 1 "RMS(OBS, PRED)" HA 105 0.432 1
90 1 15 1 "RMS(OBS, PRED)" N 97 5.446 1
91 1 16 1 "RMS(OBS, PRED)" C 98 1.221 1
92 1 16 1 "RMS(OBS, PRED)" CA 98 1.505 1
93 1 16 1 "RMS(OBS, PRED)" CB 86 1.393 1
94 1 16 1 "RMS(OBS, PRED)" H 96 0.583 1
95 1 16 1 "RMS(OBS, PRED)" HA 105 0.404 1
96 1 16 1 "RMS(OBS, PRED)" N 97 5.422 1
97 1 17 1 "RMS(OBS, PRED)" C 98 1.240 1
98 1 17 1 "RMS(OBS, PRED)" CA 98 1.591 1
99 1 17 1 "RMS(OBS, PRED)" CB 86 1.581 1
100 1 17 1 "RMS(OBS, PRED)" H 96 0.568 1
101 1 17 1 "RMS(OBS, PRED)" HA 105 0.412 1
102 1 17 1 "RMS(OBS, PRED)" N 97 5.419 1
103 1 18 1 "RMS(OBS, PRED)" C 98 1.201 1
104 1 18 1 "RMS(OBS, PRED)" CA 98 1.535 1
105 1 18 1 "RMS(OBS, PRED)" CB 86 1.518 1
106 1 18 1 "RMS(OBS, PRED)" H 96 0.563 1
107 1 18 1 "RMS(OBS, PRED)" HA 105 0.405 1
108 1 18 1 "RMS(OBS, PRED)" N 97 5.325 1
109 1 19 1 "RMS(OBS, PRED)" C 98 1.313 1
110 1 19 1 "RMS(OBS, PRED)" CA 98 1.723 1
111 1 19 1 "RMS(OBS, PRED)" CB 86 1.503 1
112 1 19 1 "RMS(OBS, PRED)" H 96 0.571 1
113 1 19 1 "RMS(OBS, PRED)" HA 105 0.428 1
114 1 19 1 "RMS(OBS, PRED)" N 97 5.489 1
115 1 20 1 "RMS(OBS, PRED)" C 98 1.288 1
116 1 20 1 "RMS(OBS, PRED)" CA 98 1.605 1
117 1 20 1 "RMS(OBS, PRED)" CB 86 1.595 1
118 1 20 1 "RMS(OBS, PRED)" H 96 0.521 1
119 1 20 1 "RMS(OBS, PRED)" HA 105 0.432 1
120 1 20 1 "RMS(OBS, PRED)" N 97 5.460 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 7 . 1 1 A 2 2 SER H H 2 8.206 8.446 -0.240 2
1 8 . 1 1 A 2 2 SER N N 2 126.498 116.475 10.023 2
1 9 . 1 1 A 3 3 ASN HA H 3 5.166 4.923 0.243 2
1 12 . 1 1 A 3 3 ASN C C 3 175.527 174.711 0.816 2
1 13 . 1 1 A 3 3 ASN CA C 3 51.466 53.261 -1.795 2
1 14 . 1 1 A 3 3 ASN CB C 3 39.931 39.761 0.170 2
1 15 . 1 1 A 4 4 HIS H H 4 8.859 8.348 0.511 2
1 16 . 1 1 A 4 4 HIS HA H 4 4.165 4.715 -0.550 2
1 19 . 1 1 A 4 4 HIS C C 4 175.897 174.142 1.755 2
1 20 . 1 1 A 4 4 HIS CA C 4 56.644 55.701 0.943 2
1 21 . 1 1 A 4 4 HIS CB C 4 30.122 30.022 0.100 2
1 22 . 1 1 A 4 4 HIS N N 4 120.656 119.197 1.459 2
1 23 . 1 1 A 5 5 ASN H H 5 8.263 8.600 -0.337 2
1 24 . 1 1 A 5 5 ASN HA H 5 4.274 5.086 -0.812 2
1 27 . 1 1 A 5 5 ASN C C 5 177.939 174.490 3.449 2
1 28 . 1 1 A 5 5 ASN CA C 5 57.261 53.119 4.142 2
1 29 . 1 1 A 5 5 ASN CB C 5 38.232 39.715 -1.483 2
1 30 . 1 1 A 5 5 ASN N N 5 121.699 118.871 2.828 2
1 31 . 1 1 A 6 6 HIS H H 6 9.675 8.602 1.073 2
1 32 . 1 1 A 6 6 HIS HA H 6 5.261 4.985 0.276 2
1 35 . 1 1 A 6 6 HIS C C 6 171.876 172.969 -1.093 2
1 36 . 1 1 A 6 6 HIS CA C 6 56.016 55.556 0.460 2
1 37 . 1 1 A 6 6 HIS CB C 6 31.324 31.106 0.218 2
1 38 . 1 1 A 6 6 HIS N N 6 117.245 116.971 0.274 2
1 39 . 1 1 A 7 7 ILE H H 7 7.753 8.565 -0.812 2
1 40 . 1 1 A 7 7 ILE HA H 7 4.442 4.704 -0.262 2
1 50 . 1 1 A 7 7 ILE C C 7 174.518 175.130 -0.612 2
1 51 . 1 1 A 7 7 ILE CA C 7 57.922 60.089 -2.167 2
1 52 . 1 1 A 7 7 ILE CB C 7 39.790 40.210 -0.420 2
1 56 . 1 1 A 7 7 ILE N N 7 126.114 122.900 3.214 2
1 57 . 1 1 A 8 8 THR H H 8 8.238 8.871 -0.633 2
1 58 . 1 1 A 8 8 THR HA H 8 4.733 4.743 -0.010 2
1 63 . 1 1 A 8 8 THR C C 8 172.672 172.835 -0.163 2
1 64 . 1 1 A 8 8 THR CA C 8 62.203 61.950 0.253 2
1 65 . 1 1 A 8 8 THR CB C 8 70.202 69.110 1.092 2
1 67 . 1 1 A 8 8 THR N N 8 123.879 122.454 1.425 2
1 68 . 1 1 A 9 9 VAL H H 9 8.717 8.776 -0.059 2
1 69 . 1 1 A 9 9 VAL HA H 9 5.165 4.882 0.283 2
1 77 . 1 1 A 9 9 VAL C C 9 173.545 174.342 -0.797 2
1 78 . 1 1 A 9 9 VAL CA C 9 59.279 59.985 -0.706 2
1 79 . 1 1 A 9 9 VAL CB C 9 33.495 33.946 -0.451 2
1 82 . 1 1 A 9 9 VAL N N 9 124.808 126.696 -1.888 2
1 83 . 1 1 A 10 10 GLN H H 10 8.863 8.337 0.526 2
1 84 . 1 1 A 10 10 GLN HA H 10 4.841 4.890 -0.049 2
1 87 . 1 1 A 10 10 GLN C C 10 173.774 173.633 0.141 2
1 88 . 1 1 A 10 10 GLN CA C 10 53.092 53.425 -0.333 2
1 89 . 1 1 A 10 10 GLN CB C 10 32.226 32.655 -0.429 2
1 91 . 1 1 A 10 10 GLN N N 10 123.709 125.668 -1.959 2
1 92 . 1 1 A 11 11 PHE H H 11 8.252 8.410 -0.158 2
1 93 . 1 1 A 11 11 PHE HA H 11 5.661 5.440 0.221 2
1 96 . 1 1 A 11 11 PHE C C 11 175.180 175.009 0.171 2
1 97 . 1 1 A 11 11 PHE CA C 11 55.799 56.710 -0.911 2
1 98 . 1 1 A 11 11 PHE CB C 11 43.197 43.099 0.098 2
1 99 . 1 1 A 11 11 PHE N N 11 119.002 117.089 1.913 2
1 100 . 1 1 A 12 12 ALA H H 12 8.989 8.492 0.497 2
1 101 . 1 1 A 12 12 ALA HA H 12 4.971 4.912 0.059 2
1 105 . 1 1 A 12 12 ALA C C 12 179.413 177.617 1.796 2
1 106 . 1 1 A 12 12 ALA CA C 12 51.675 51.417 0.258 2
1 107 . 1 1 A 12 12 ALA CB C 12 23.716 22.278 1.438 2
1 108 . 1 1 A 12 12 ALA N N 12 123.388 123.446 -0.058 2
1 109 . 1 1 A 13 13 GLY H H 13 9.188 8.813 0.375 2
1 110 . 1 1 A 13 13 GLY HA2 H 13 4.477 3.881 0.596 2
1 111 . 1 1 A 13 13 GLY HA3 H 13 3.937 3.891 0.046 2
1 112 . 1 1 A 13 13 GLY C C 13 173.600 175.201 -1.601 2
1 113 . 1 1 A 13 13 GLY CA C 13 46.252 46.963 -0.711 2
1 114 . 1 1 A 13 13 GLY N N 13 110.134 109.258 0.876 2
1 115 . 1 1 A 14 14 GLY H H 14 9.510 8.635 0.875 2
1 116 . 1 1 A 14 14 GLY HA2 H 14 4.600 4.045 0.555 2
1 117 . 1 1 A 14 14 GLY HA3 H 14 3.453 4.070 -0.617 2
1 118 . 1 1 A 14 14 GLY C C 14 177.136 174.808 2.328 2
1 119 . 1 1 A 14 14 GLY CA C 14 44.792 45.604 -0.812 2
1 120 . 1 1 A 14 14 GLY N N 14 109.966 111.749 -1.783 2
1 121 . 1 1 A 15 15 CYS H H 15 7.748 8.021 -0.273 2
1 122 . 1 1 A 15 15 CYS HA H 15 3.883 4.566 -0.682 2
1 125 . 1 1 A 15 15 CYS C C 15 175.011 176.131 -1.120 2
1 126 . 1 1 A 15 15 CYS CA C 15 62.034 59.646 2.388 2
1 127 . 1 1 A 15 15 CYS N N 15 121.082 118.931 2.151 2
1 128 . 1 1 A 16 16 GLU H H 16 7.837 8.357 -0.520 2
1 129 . 1 1 A 16 16 GLU HA H 16 4.009 3.933 0.076 2
1 134 . 1 1 A 16 16 GLU C C 16 178.419 177.839 0.580 2
1 135 . 1 1 A 16 16 GLU CA C 16 58.599 58.819 -0.220 2
1 136 . 1 1 A 16 16 GLU CB C 16 27.745 28.971 -1.226 2
1 138 . 1 1 A 16 16 GLU N N 16 120.416 119.442 0.974 2
1 139 . 1 1 A 17 17 LEU H H 17 7.626 7.915 -0.289 2
1 140 . 1 1 A 17 17 LEU HA H 17 3.927 4.148 -0.221 2
1 150 . 1 1 A 17 17 LEU C C 17 178.349 177.588 0.761 2
1 151 . 1 1 A 17 17 LEU CA C 17 57.105 56.533 0.572 2
1 152 . 1 1 A 17 17 LEU CB C 17 40.474 41.560 -1.086 2
1 156 . 1 1 A 17 17 LEU N N 17 122.648 120.630 2.018 2
1 157 . 1 1 A 18 18 LEU H H 18 7.488 7.574 -0.086 2
1 158 . 1 1 A 18 18 LEU HA H 18 4.143 4.263 -0.120 2
1 168 . 1 1 A 18 18 LEU C C 18 175.859 176.663 -0.804 2
1 169 . 1 1 A 18 18 LEU CA C 18 55.729 54.957 0.772 2
1 170 . 1 1 A 18 18 LEU CB C 18 40.532 41.353 -0.821 2
1 174 . 1 1 A 18 18 LEU N N 18 117.565 117.453 0.112 2
1 175 . 1 1 A 19 19 PHE H H 19 7.164 7.691 -0.527 2
1 176 . 1 1 A 19 19 PHE HA H 19 4.395 4.876 -0.481 2
1 179 . 1 1 A 19 19 PHE C C 19 176.362 175.515 0.847 2
1 180 . 1 1 A 19 19 PHE CA C 19 56.373 58.929 -2.556 2
1 181 . 1 1 A 19 19 PHE CB C 19 39.143 40.877 -1.734 2
1 182 . 1 1 A 19 19 PHE N N 19 117.899 119.991 -2.092 2
1 183 . 1 1 A 20 20 ALA H H 20 8.780 7.559 1.221 2
1 184 . 1 1 A 20 20 ALA HA H 20 4.087 4.488 -0.401 2
1 188 . 1 1 A 20 20 ALA C C 20 176.512 177.405 -0.893 2
1 189 . 1 1 A 20 20 ALA CA C 20 53.279 51.396 1.883 2
1 190 . 1 1 A 20 20 ALA CB C 20 17.047 19.289 -2.242 2
1 191 . 1 1 A 20 20 ALA N N 20 123.417 119.643 3.774 2
1 192 . 1 1 A 21 21 LYS H H 21 7.825 8.029 -0.204 2
1 193 . 1 1 A 21 21 LYS HA H 21 3.181 3.825 -0.644 2
1 202 . 1 1 A 21 21 LYS C C 21 175.295 175.523 -0.228 2
1 203 . 1 1 A 21 21 LYS CA C 21 58.666 57.373 1.293 2
1 204 . 1 1 A 21 21 LYS CB C 21 29.784 29.589 0.195 2
1 208 . 1 1 A 21 21 LYS N N 21 108.448 112.401 -3.953 2
1 209 . 1 1 A 22 22 GLN H H 22 7.611 8.061 -0.450 2
1 210 . 1 1 A 22 22 GLN HA H 22 4.429 4.481 -0.052 2
1 215 . 1 1 A 22 22 GLN C C 22 174.967 176.403 -1.436 2
1 216 . 1 1 A 22 22 GLN CA C 22 56.105 55.802 0.303 2
1 217 . 1 1 A 22 22 GLN CB C 22 29.548 30.226 -0.678 2
1 219 . 1 1 A 22 22 GLN N N 22 120.482 118.062 2.420 2
1 220 . 1 1 A 23 23 THR H H 23 8.201 8.763 -0.562 2
1 221 . 1 1 A 23 23 THR HA H 23 4.491 4.489 0.002 2
1 226 . 1 1 A 23 23 THR C C 23 175.012 174.960 0.052 2
1 227 . 1 1 A 23 23 THR CA C 23 62.436 62.665 -0.229 2
1 228 . 1 1 A 23 23 THR CB C 23 69.501 69.219 0.282 2
1 229 . 1 1 A 23 23 THR N N 23 110.354 113.939 -3.585 2
1 230 . 1 1 A 24 24 SER H H 24 7.751 7.946 -0.195 2
1 231 . 1 1 A 24 24 SER HA H 24 5.136 4.915 0.221 2
1 234 . 1 1 A 24 24 SER C C 24 172.623 172.809 -0.186 2
1 235 . 1 1 A 24 24 SER CA C 24 57.192 56.948 0.244 2
1 236 . 1 1 A 24 24 SER CB C 24 65.459 66.179 -0.720 2
1 237 . 1 1 A 24 24 SER N N 24 114.575 113.989 0.586 2
1 238 . 1 1 A 25 25 LEU H H 25 9.272 8.877 0.395 2
1 239 . 1 1 A 25 25 LEU HA H 25 4.531 4.980 -0.449 2
1 249 . 1 1 A 25 25 LEU C C 25 174.436 175.323 -0.887 2
1 250 . 1 1 A 25 25 LEU CA C 25 53.929 53.660 0.269 2
1 251 . 1 1 A 25 25 LEU CB C 25 45.561 46.462 -0.901 2
1 255 . 1 1 A 25 25 LEU N N 25 124.288 122.041 2.247 2
1 256 . 1 1 A 26 26 GLN H H 26 8.573 8.677 -0.104 2
1 257 . 1 1 A 26 26 GLN HA H 26 4.607 5.542 -0.935 2
1 262 . 1 1 A 26 26 GLN C C 26 173.250 174.674 -1.424 2
1 263 . 1 1 A 26 26 GLN CA C 26 54.207 54.317 -0.110 2
1 264 . 1 1 A 26 26 GLN CB C 26 27.813 31.409 -3.596 2
1 266 . 1 1 A 26 26 GLN N N 26 122.971 120.737 2.234 2
1 267 . 1 1 A 27 27 LEU H H 27 8.753 8.895 -0.142 2
1 268 . 1 1 A 27 27 LEU HA H 27 4.414 4.946 -0.532 2
1 272 . 1 1 A 27 27 LEU C C 27 175.313 175.550 -0.237 2
1 273 . 1 1 A 27 27 LEU CA C 27 53.132 53.475 -0.343 2
1 274 . 1 1 A 27 27 LEU CB C 27 40.489 44.281 -3.792 2
1 278 . 1 1 A 27 27 LEU N N 27 126.504 125.892 0.612 2
1 279 . 1 1 A 28 28 ASP H H 28 8.568 8.820 -0.252 2
1 280 . 1 1 A 28 28 ASP HA H 28 4.414 5.192 -0.778 2
1 283 . 1 1 A 28 28 ASP C C 28 176.147 175.843 0.304 2
1 284 . 1 1 A 28 28 ASP CA C 28 53.407 52.956 0.451 2
1 285 . 1 1 A 28 28 ASP CB C 28 40.535 42.381 -1.846 2
1 286 . 1 1 A 28 28 ASP N N 28 112.805 123.116 -10.311 2
1 287 . 1 1 A 29 29 GLY H H 29 7.770 8.700 -0.930 2
1 288 . 1 1 A 29 29 GLY HA2 H 29 3.942 4.142 -0.200 2
1 289 . 1 1 A 29 29 GLY HA3 H 29 3.806 4.147 -0.341 2
1 290 . 1 1 A 29 29 GLY C C 29 174.455 174.458 -0.003 2
1 291 . 1 1 A 29 29 GLY CA C 29 47.297 45.242 2.055 2
1 292 . 1 1 A 29 29 GLY N N 29 129.863 111.979 17.884 2
1 293 . 1 1 A 30 30 VAL H H 30 7.792 8.464 -0.672 2
1 294 . 1 1 A 30 30 VAL HA H 30 4.391 4.144 0.247 2
1 302 . 1 1 A 30 30 VAL C C 30 174.315 176.140 -1.825 2
1 303 . 1 1 A 30 30 VAL CA C 30 62.180 63.260 -1.079 2
1 304 . 1 1 A 30 30 VAL CB C 30 35.931 32.486 3.445 2
1 307 . 1 1 A 30 30 VAL N N 30 112.711 118.813 -6.102 2
1 308 . 1 1 A 31 31 VAL H H 31 8.748 7.972 0.776 2
1 309 . 1 1 A 31 31 VAL C C 31 172.882 175.201 -2.319 2
1 310 . 1 1 A 31 31 VAL CA C 31 62.284 60.217 2.067 2
1 311 . 1 1 A 31 31 VAL CB C 31 33.804 31.541 2.263 2
1 312 . 1 1 A 31 31 VAL N N 31 123.316 119.692 3.624 2
1 313 . 1 1 A 32 32 PRO HA H 32 5.038 4.515 0.523 2
1 320 . 1 1 A 32 32 PRO C C 32 179.633 177.314 2.319 2
1 321 . 1 1 A 32 32 PRO CA C 32 63.073 64.191 -1.118 2
1 322 . 1 1 A 32 32 PRO CB C 32 32.421 32.223 0.198 2
1 325 . 1 1 A 33 33 THR H H 33 8.739 7.830 0.909 2
1 326 . 1 1 A 33 33 THR HA H 33 3.896 4.126 -0.230 2
1 331 . 1 1 A 33 33 THR C C 33 174.735 176.000 -1.265 2
1 332 . 1 1 A 33 33 THR CA C 33 64.329 65.402 -1.073 2
1 333 . 1 1 A 33 33 THR CB C 33 67.929 68.741 -0.812 2
1 335 . 1 1 A 33 33 THR N N 33 120.858 113.051 7.807 2
1 336 . 1 1 A 34 34 GLY H H 34 8.303 8.160 0.143 2
1 337 . 1 1 A 34 34 GLY HA2 H 34 4.359 3.894 0.465 2
1 338 . 1 1 A 34 34 GLY HA3 H 34 3.451 3.899 -0.448 2
1 339 . 1 1 A 34 34 GLY C C 34 174.037 173.393 0.644 2
1 340 . 1 1 A 34 34 GLY CA C 34 45.067 45.952 -0.885 2
1 341 . 1 1 A 34 34 GLY N N 34 114.645 109.158 5.487 2
1 342 . 1 1 A 35 35 THR H H 35 7.405 7.333 0.072 2
1 343 . 1 1 A 35 35 THR HA H 35 4.073 4.901 -0.828 2
1 348 . 1 1 A 35 35 THR C C 35 174.540 173.784 0.756 2
1 349 . 1 1 A 35 35 THR CA C 35 65.137 61.143 3.994 2
1 350 . 1 1 A 35 35 THR CB C 35 69.484 71.692 -2.208 2
1 352 . 1 1 A 35 35 THR N N 35 117.340 114.095 3.245 2
1 353 . 1 1 A 36 36 ASN H H 36 8.836 8.490 0.346 2
1 354 . 1 1 A 36 36 ASN HA H 36 5.686 5.173 0.513 2
1 357 . 1 1 A 36 36 ASN C C 36 176.512 175.818 0.694 2
1 358 . 1 1 A 36 36 ASN CA C 36 50.439 51.101 -0.662 2
1 359 . 1 1 A 36 36 ASN CB C 36 40.274 40.071 0.203 2
1 360 . 1 1 A 36 36 ASN N N 36 127.379 123.318 4.061 2
1 361 . 1 1 A 37 37 LEU H H 37 8.045 8.631 -0.586 2
1 362 . 1 1 A 37 37 LEU HA H 37 4.142 4.081 0.061 2
1 372 . 1 1 A 37 37 LEU C C 37 178.931 178.265 0.666 2
1 373 . 1 1 A 37 37 LEU CA C 37 59.274 58.508 0.766 2
1 374 . 1 1 A 37 37 LEU CB C 37 42.159 41.395 0.764 2
1 378 . 1 1 A 37 37 LEU N N 37 119.164 119.987 -0.823 2
1 379 . 1 1 A 38 38 ASN H H 38 7.959 8.369 -0.410 2
1 380 . 1 1 A 38 38 ASN HA H 38 4.502 4.438 0.064 2
1 383 . 1 1 A 38 38 ASN C C 38 178.691 178.300 0.391 2
1 384 . 1 1 A 38 38 ASN CA C 38 57.080 56.389 0.691 2
1 385 . 1 1 A 38 38 ASN CB C 38 38.367 38.462 -0.095 2
1 386 . 1 1 A 38 38 ASN N N 38 118.522 116.824 1.698 2
1 387 . 1 1 A 39 39 GLY H H 39 8.828 8.121 0.707 2
1 388 . 1 1 A 39 39 GLY HA2 H 39 4.088 3.700 0.388 2
1 389 . 1 1 A 39 39 GLY HA3 H 39 3.911 3.703 0.208 2
1 390 . 1 1 A 39 39 GLY C C 39 177.320 175.612 1.708 2
1 391 . 1 1 A 39 39 GLY CA C 39 46.879 47.183 -0.304 2
1 392 . 1 1 A 39 39 GLY N N 39 109.615 107.576 2.039 2
1 393 . 1 1 A 40 40 LEU H H 40 8.829 8.160 0.669 2
1 394 . 1 1 A 40 40 LEU HA H 40 4.504 4.096 0.408 2
1 404 . 1 1 A 40 40 LEU C C 40 177.788 178.716 -0.928 2
1 405 . 1 1 A 40 40 LEU CA C 40 57.770 57.744 0.026 2
1 406 . 1 1 A 40 40 LEU CB C 40 41.713 41.928 -0.215 2
1 410 . 1 1 A 40 40 LEU N N 40 125.884 123.256 2.628 2
1 411 . 1 1 A 41 41 VAL H H 41 8.333 8.251 0.082 2
1 412 . 1 1 A 41 41 VAL HA H 41 3.328 3.861 -0.533 2
1 420 . 1 1 A 41 41 VAL C C 41 177.556 177.882 -0.326 2
1 421 . 1 1 A 41 41 VAL CA C 41 67.977 65.365 2.612 2
1 422 . 1 1 A 41 41 VAL CB C 41 31.080 31.178 -0.098 2
1 425 . 1 1 A 41 41 VAL N N 41 120.213 115.980 4.233 2
1 426 . 1 1 A 42 42 GLN H H 42 7.672 8.074 -0.402 2
1 427 . 1 1 A 42 42 GLN HA H 42 3.866 4.059 -0.193 2
1 432 . 1 1 A 42 42 GLN C C 42 177.980 178.137 -0.157 2
1 433 . 1 1 A 42 42 GLN CA C 42 58.694 58.861 -0.166 2
1 434 . 1 1 A 42 42 GLN CB C 42 27.809 28.668 -0.859 2
1 436 . 1 1 A 42 42 GLN N N 42 116.386 121.764 -5.378 2
1 437 . 1 1 A 43 43 LEU H H 43 8.080 7.570 0.510 2
1 438 . 1 1 A 43 43 LEU HA H 43 4.225 4.173 0.052 2
1 448 . 1 1 A 43 43 LEU C C 43 179.999 178.434 1.565 2
1 449 . 1 1 A 43 43 LEU CA C 43 58.275 57.289 0.986 2
1 450 . 1 1 A 43 43 LEU CB C 43 43.046 41.507 1.539 2
1 454 . 1 1 A 43 43 LEU N N 43 122.204 120.850 1.354 2
1 455 . 1 1 A 44 44 LEU H H 44 8.810 8.072 0.738 2
1 456 . 1 1 A 44 44 LEU HA H 44 4.384 4.406 -0.022 2
1 466 . 1 1 A 44 44 LEU C C 44 179.311 178.873 0.438 2
1 467 . 1 1 A 44 44 LEU CA C 44 58.397 57.224 1.173 2
1 468 . 1 1 A 44 44 LEU CB C 44 41.553 42.601 -1.048 2
1 472 . 1 1 A 44 44 LEU N N 44 119.371 118.107 1.264 2
1 473 . 1 1 A 45 45 LYS H H 45 8.652 8.529 0.123 2
1 474 . 1 1 A 45 45 LYS HA H 45 3.678 4.181 -0.503 2
1 483 . 1 1 A 45 45 LYS C C 45 177.005 178.938 -1.933 2
1 484 . 1 1 A 45 45 LYS CA C 45 60.016 58.973 1.043 2
1 485 . 1 1 A 45 45 LYS CB C 45 32.411 32.389 0.022 2
1 489 . 1 1 A 45 45 LYS N N 45 120.434 119.851 0.583 2
1 490 . 1 1 A 46 46 THR H H 46 8.180 8.290 -0.110 2
1 491 . 1 1 A 46 46 THR HA H 46 4.027 4.079 -0.052 2
1 496 . 1 1 A 46 46 THR C C 46 176.217 176.006 0.210 2
1 497 . 1 1 A 46 46 THR CA C 46 65.173 65.777 -0.604 2
1 498 . 1 1 A 46 46 THR CB C 46 69.680 68.687 0.993 2
1 500 . 1 1 A 46 46 THR N N 46 109.149 115.694 -6.545 2
1 501 . 1 1 A 47 47 ASN H H 47 8.170 7.845 0.325 2
1 502 . 1 1 A 47 47 ASN HA H 47 4.785 4.670 0.115 2
1 505 . 1 1 A 47 47 ASN C C 47 175.267 175.482 -0.215 2
1 506 . 1 1 A 47 47 ASN CA C 47 54.213 54.787 -0.574 2
1 507 . 1 1 A 47 47 ASN CB C 47 40.712 39.821 0.891 2
1 508 . 1 1 A 47 47 ASN N N 47 116.045 118.094 -2.049 2
1 509 . 1 1 A 48 48 TYR H H 48 8.094 7.812 0.282 2
1 510 . 1 1 A 48 48 TYR HA H 48 4.695 4.821 -0.126 2
1 513 . 1 1 A 48 48 TYR C C 48 175.011 175.461 -0.450 2
1 514 . 1 1 A 48 48 TYR CA C 48 60.273 57.526 2.747 2
1 515 . 1 1 A 48 48 TYR CB C 48 41.189 38.485 2.704 2
1 516 . 1 1 A 48 48 TYR N N 48 115.849 117.066 -1.217 2
1 517 . 1 1 A 49 49 VAL H H 49 7.769 7.769 0.000 2
1 518 . 1 1 A 49 49 VAL HA H 49 3.715 4.233 -0.518 2
1 526 . 1 1 A 49 49 VAL C C 49 176.157 175.943 0.214 2
1 527 . 1 1 A 49 49 VAL CA C 49 63.454 62.431 1.023 2
1 528 . 1 1 A 49 49 VAL CB C 49 31.695 32.194 -0.499 2
1 531 . 1 1 A 49 49 VAL N N 49 120.510 121.059 -0.549 2
1 532 . 1 1 A 50 50 LYS H H 50 8.334 8.210 0.124 2
1 533 . 1 1 A 50 50 LYS HA H 50 4.242 4.091 0.151 2
1 542 . 1 1 A 50 50 LYS C C 50 176.562 175.826 0.736 2
1 543 . 1 1 A 50 50 LYS CA C 50 55.979 57.637 -1.658 2
1 544 . 1 1 A 50 50 LYS CB C 50 32.822 31.676 1.146 2
1 548 . 1 1 A 50 50 LYS N N 50 125.933 124.621 1.312 2
1 549 . 1 1 A 51 51 GLU H H 51 7.598 7.828 -0.230 2
1 550 . 1 1 A 51 51 GLU HA H 51 4.328 4.500 -0.172 2
1 553 . 1 1 A 51 51 GLU C C 51 172.975 175.065 -2.090 2
1 554 . 1 1 A 51 51 GLU CA C 51 55.074 55.272 -0.198 2
1 555 . 1 1 A 51 51 GLU CB C 51 32.633 32.311 0.322 2
1 557 . 1 1 A 51 51 GLU N N 51 117.804 119.354 -1.550 2
1 558 . 1 1 A 52 52 ARG H H 52 8.383 8.448 -0.065 2
1 559 . 1 1 A 52 52 ARG CA C 52 53.279 54.187 -0.908 2
1 560 . 1 1 A 52 52 ARG CB C 52 26.615 30.564 -3.949 2
1 561 . 1 1 A 52 52 ARG N N 52 111.793 122.245 -10.452 2
1 562 . 1 1 A 53 53 PRO HA H 53 4.029 4.371 -0.342 2
1 569 . 1 1 A 53 53 PRO C C 53 177.018 177.347 -0.329 2
1 570 . 1 1 A 53 53 PRO CA C 53 65.474 64.744 0.730 2
1 571 . 1 1 A 53 53 PRO CB C 53 30.916 31.957 -1.042 2
1 574 . 1 1 A 53 53 PRO N N 53 111.793 140.405 -28.612 2
1 575 . 1 1 A 54 54 ASP H H 54 8.462 8.476 -0.014 2
1 576 . 1 1 A 54 54 ASP HA H 54 4.345 4.675 -0.330 2
1 579 . 1 1 A 54 54 ASP C C 54 176.493 177.350 -0.857 2
1 580 . 1 1 A 54 54 ASP CA C 54 54.982 54.416 0.566 2
1 581 . 1 1 A 54 54 ASP CB C 54 39.451 41.089 -1.638 2
1 582 . 1 1 A 54 54 ASP N N 54 113.848 117.290 -3.442 2
1 583 . 1 1 A 55 55 LEU H H 55 7.766 7.919 -0.153 2
1 584 . 1 1 A 55 55 LEU HA H 55 4.235 4.138 0.097 2
1 594 . 1 1 A 55 55 LEU C C 55 175.873 178.363 -2.490 2
1 595 . 1 1 A 55 55 LEU CA C 55 55.305 56.954 -1.649 2
1 596 . 1 1 A 55 55 LEU CB C 55 41.271 41.925 -0.654 2
1 600 . 1 1 A 55 55 LEU N N 55 117.721 117.443 0.278 2
1 601 . 1 1 A 56 56 LEU H H 56 7.630 7.655 -0.025 2
1 602 . 1 1 A 56 56 LEU HA H 56 4.552 4.433 0.119 2
1 612 . 1 1 A 56 56 LEU C C 56 175.341 177.079 -1.738 2
1 613 . 1 1 A 56 56 LEU CA C 56 55.516 56.115 -0.599 2
1 614 . 1 1 A 56 56 LEU CB C 56 44.910 42.872 2.038 2
1 618 . 1 1 A 56 56 LEU N N 56 118.796 116.330 2.466 2
1 619 . 1 1 A 57 57 VAL H H 57 7.206 7.190 0.016 2
1 620 . 1 1 A 57 57 VAL HA H 57 5.048 4.172 0.876 2
1 628 . 1 1 A 57 57 VAL C C 57 175.020 175.980 -0.960 2
1 629 . 1 1 A 57 57 VAL CA C 57 58.550 62.088 -3.538 2
1 630 . 1 1 A 57 57 VAL CB C 57 35.049 32.626 2.423 2
1 633 . 1 1 A 57 57 VAL N N 57 106.872 119.989 -13.117 2
1 634 . 1 1 A 58 58 ASP H H 58 8.447 9.323 -0.876 2
1 635 . 1 1 A 58 58 ASP HA H 58 4.459 4.331 0.128 2
1 638 . 1 1 A 58 58 ASP C C 58 177.406 177.025 0.381 2
1 639 . 1 1 A 58 58 ASP CA C 58 53.130 56.926 -3.796 2
1 640 . 1 1 A 58 58 ASP CB C 58 40.985 41.373 -0.388 2
1 641 . 1 1 A 58 58 ASP N N 58 118.741 123.969 -5.228 2
1 642 . 1 1 A 59 59 GLN H H 59 8.883 7.923 0.959 2
1 643 . 1 1 A 59 59 GLN HA H 59 4.031 4.581 -0.550 2
1 648 . 1 1 A 59 59 GLN C C 59 177.499 176.684 0.815 2
1 649 . 1 1 A 59 59 GLN CA C 59 59.120 57.207 1.913 2
1 650 . 1 1 A 59 59 GLN CB C 59 28.389 31.322 -2.933 2
1 652 . 1 1 A 59 59 GLN N N 59 119.603 116.712 2.891 2
1 653 . 1 1 A 60 60 THR H H 60 8.060 8.074 -0.014 2
1 654 . 1 1 A 60 60 THR HA H 60 4.296 4.421 -0.125 2
1 659 . 1 1 A 60 60 THR C C 60 176.363 175.179 1.184 2
1 660 . 1 1 A 60 60 THR CA C 60 63.358 62.276 1.082 2
1 661 . 1 1 A 60 60 THR CB C 60 70.577 69.362 1.215 2
1 663 . 1 1 A 60 60 THR N N 60 109.323 109.926 -0.603 2
1 664 . 1 1 A 61 61 GLY H H 61 8.001 7.978 0.023 2
1 665 . 1 1 A 61 61 GLY HA2 H 61 4.173 3.899 0.274 2
1 666 . 1 1 A 61 61 GLY HA3 H 61 3.610 3.901 -0.291 2
1 667 . 1 1 A 61 61 GLY C C 61 174.049 174.315 -0.266 2
1 668 . 1 1 A 61 61 GLY CA C 61 45.301 46.400 -1.099 2
1 669 . 1 1 A 61 61 GLY N N 61 109.323 110.391 -1.068 2
1 670 . 1 1 A 62 62 GLN H H 62 8.091 7.956 0.135 2
1 671 . 1 1 A 62 62 GLN HA H 62 4.172 4.651 -0.479 2
1 674 . 1 1 A 62 62 GLN C C 62 175.201 175.166 0.035 2
1 675 . 1 1 A 62 62 GLN CA C 62 56.474 56.967 -0.493 2
1 676 . 1 1 A 62 62 GLN CB C 62 30.618 31.202 -0.584 2
1 678 . 1 1 A 62 62 GLN N N 62 117.247 119.654 -2.407 2
1 679 . 1 1 A 63 63 THR H H 63 7.740 7.845 -0.105 2
1 680 . 1 1 A 63 63 THR HA H 63 4.624 4.830 -0.206 2
1 685 . 1 1 A 63 63 THR C C 63 172.622 173.520 -0.898 2
1 686 . 1 1 A 63 63 THR CA C 63 59.718 59.870 -0.152 2
1 687 . 1 1 A 63 63 THR CB C 63 70.832 71.380 -0.548 2
1 689 . 1 1 A 63 63 THR N N 63 113.860 111.899 1.961 2
1 690 . 1 1 A 64 64 LEU H H 64 8.364 8.749 -0.385 2
1 691 . 1 1 A 64 64 LEU HA H 64 4.324 4.682 -0.358 2
1 701 . 1 1 A 64 64 LEU C C 64 176.311 177.032 -0.721 2
1 702 . 1 1 A 64 64 LEU CA C 64 55.025 54.352 0.673 2
1 703 . 1 1 A 64 64 LEU CB C 64 43.871 43.246 0.625 2
1 707 . 1 1 A 64 64 LEU N N 64 123.689 124.805 -1.116 2
1 708 . 1 1 A 65 65 ARG H H 65 8.192 9.132 -0.940 2
1 709 . 1 1 A 65 65 ARG C C 65 173.609 175.925 -2.316 2
1 710 . 1 1 A 65 65 ARG CA C 65 55.287 55.001 0.286 2
1 711 . 1 1 A 65 65 ARG CB C 65 29.681 30.447 -0.766 2
1 712 . 1 1 A 65 65 ARG N N 65 126.639 121.864 4.775 2
1 713 . 1 1 A 66 66 PRO HA H 66 4.390 4.279 0.111 2
1 720 . 1 1 A 66 66 PRO C C 66 177.030 178.109 -1.079 2
1 721 . 1 1 A 66 66 PRO CA C 66 63.719 64.554 -0.835 2
1 722 . 1 1 A 66 66 PRO CB C 66 31.825 31.628 0.197 2
1 725 . 1 1 A 66 66 PRO N N 66 126.639 136.938 -10.299 2
1 726 . 1 1 A 67 67 GLY H H 67 8.744 8.661 0.083 2
1 727 . 1 1 A 67 67 GLY HA2 H 67 4.232 3.944 0.288 2
1 728 . 1 1 A 67 67 GLY HA3 H 67 3.544 3.958 -0.414 2
1 729 . 1 1 A 67 67 GLY C C 67 174.319 174.735 -0.416 2
1 730 . 1 1 A 67 67 GLY CA C 67 44.818 46.238 -1.420 2
1 731 . 1 1 A 68 68 ILE H H 68 7.522 7.774 -0.252 2
1 732 . 1 1 A 68 68 ILE HA H 68 4.690 4.573 0.117 2
1 742 . 1 1 A 68 68 ILE C C 68 174.703 175.245 -0.542 2
1 743 . 1 1 A 68 68 ILE CA C 68 61.047 60.695 0.352 2
1 744 . 1 1 A 68 68 ILE CB C 68 38.090 38.596 -0.506 2
1 748 . 1 1 A 68 68 ILE N N 68 121.049 120.901 0.148 2
1 749 . 1 1 A 69 69 LEU H H 69 9.207 9.315 -0.108 2
1 750 . 1 1 A 69 69 LEU HA H 69 4.449 4.962 -0.513 2
1 760 . 1 1 A 69 69 LEU C C 69 174.991 175.755 -0.764 2
1 761 . 1 1 A 69 69 LEU CA C 69 54.106 53.721 0.385 2
1 762 . 1 1 A 69 69 LEU CB C 69 43.588 43.019 0.569 2
1 766 . 1 1 A 69 69 LEU N N 69 131.197 128.312 2.885 2
1 767 . 1 1 A 70 70 VAL H H 70 8.149 8.598 -0.450 2
1 768 . 1 1 A 70 70 VAL HA H 70 4.955 4.658 0.297 2
1 776 . 1 1 A 70 70 VAL C C 70 175.167 175.348 -0.181 2
1 777 . 1 1 A 70 70 VAL CA C 70 59.928 61.484 -1.556 2
1 778 . 1 1 A 70 70 VAL CB C 70 33.239 32.672 0.567 2
1 781 . 1 1 A 70 70 VAL N N 70 121.953 124.002 -2.049 2
1 782 . 1 1 A 71 71 LEU H H 71 8.881 8.189 0.692 2
1 783 . 1 1 A 71 71 LEU HA H 71 4.922 5.164 -0.242 2
1 793 . 1 1 A 71 71 LEU C C 71 176.487 175.474 1.013 2
1 794 . 1 1 A 71 71 LEU CA C 71 52.627 53.312 -0.685 2
1 795 . 1 1 A 71 71 LEU CB C 71 44.487 45.400 -0.913 2
1 799 . 1 1 A 71 71 LEU N N 71 126.071 126.532 -0.461 2
1 800 . 1 1 A 72 72 VAL H H 72 9.048 9.009 0.039 2
1 801 . 1 1 A 72 72 VAL HA H 72 4.351 4.820 -0.469 2
1 809 . 1 1 A 72 72 VAL C C 72 176.078 175.705 0.373 2
1 810 . 1 1 A 72 72 VAL CA C 72 60.886 60.797 0.089 2
1 811 . 1 1 A 72 72 VAL CB C 72 33.141 33.041 0.100 2
1 814 . 1 1 A 72 72 VAL N N 72 120.969 122.704 -1.735 2
1 815 . 1 1 A 73 73 ASN H H 73 9.630 9.341 0.289 2
1 816 . 1 1 A 73 73 ASN HA H 73 4.335 4.351 -0.016 2
1 821 . 1 1 A 73 73 ASN C C 73 175.496 174.715 0.781 2
1 822 . 1 1 A 73 73 ASN CA C 73 54.736 54.627 0.109 2
1 823 . 1 1 A 73 73 ASN CB C 73 36.825 36.956 -0.131 2
1 824 . 1 1 A 73 73 ASN N N 73 129.082 125.437 3.645 2
1 825 . 1 1 A 74 74 SER H H 74 9.308 8.422 0.886 2
1 826 . 1 1 A 74 74 SER C C 74 172.584 173.201 -0.617 2
1 827 . 1 1 A 74 74 SER N N 74 106.084 108.685 -2.601 2
1 828 . 1 1 A 75 75 CYS H H 75 7.845 7.638 0.207 2
1 829 . 1 1 A 75 75 CYS C C 75 176.045 173.088 2.957 2
1 830 . 1 1 A 75 75 CYS CA C 75 57.152 58.304 -1.152 2
1 831 . 1 1 A 75 75 CYS CB C 75 29.101 30.671 -1.570 2
1 832 . 1 1 A 75 75 CYS N N 75 120.460 118.599 1.861 2
1 833 . 1 1 A 76 76 ASP H H 76 8.766 8.505 0.261 2
1 834 . 1 1 A 76 76 ASP HA H 76 4.295 4.556 -0.261 2
1 837 . 1 1 A 76 76 ASP C C 76 177.713 177.099 0.614 2
1 838 . 1 1 A 76 76 ASP CA C 76 55.721 54.979 0.742 2
1 839 . 1 1 A 76 76 ASP CB C 76 41.513 41.144 0.369 2
1 840 . 1 1 A 76 76 ASP N N 76 126.661 123.992 2.669 2
1 841 . 1 1 A 77 77 ALA H H 77 8.555 8.859 -0.304 2
1 842 . 1 1 A 77 77 ALA HA H 77 3.688 3.989 -0.301 2
1 846 . 1 1 A 77 77 ALA C C 77 180.149 179.075 1.074 2
1 847 . 1 1 A 77 77 ALA CA C 77 54.334 54.282 0.052 2
1 848 . 1 1 A 77 77 ALA CB C 77 18.453 18.470 -0.017 2
1 849 . 1 1 A 77 77 ALA N N 77 128.302 126.281 2.021 2
1 850 . 1 1 A 78 78 GLU H H 78 9.034 7.846 1.188 2
1 851 . 1 1 A 78 78 GLU HA H 78 3.763 4.138 -0.375 2
1 856 . 1 1 A 78 78 GLU C C 78 179.359 179.037 0.322 2
1 857 . 1 1 A 78 78 GLU CA C 78 59.569 58.999 0.570 2
1 858 . 1 1 A 78 78 GLU CB C 78 29.511 29.175 0.336 2
1 860 . 1 1 A 78 78 GLU N N 78 117.499 118.113 -0.614 2
1 861 . 1 1 A 79 79 VAL H H 79 7.753 7.833 -0.080 2
1 862 . 1 1 A 79 79 VAL HA H 79 3.927 3.666 0.261 2
1 870 . 1 1 A 79 79 VAL C C 79 177.408 177.767 -0.359 2
1 871 . 1 1 A 79 79 VAL CA C 79 64.439 66.134 -1.695 2
1 872 . 1 1 A 79 79 VAL CB C 79 31.904 31.633 0.271 2
1 875 . 1 1 A 79 79 VAL N N 79 115.536 121.110 -5.574 2
1 876 . 1 1 A 80 80 VAL H H 80 7.123 7.508 -0.385 2
1 877 . 1 1 A 80 80 VAL HA H 80 4.443 4.095 0.348 2
1 885 . 1 1 A 80 80 VAL C C 80 175.020 176.854 -1.834 2
1 886 . 1 1 A 80 80 VAL CA C 80 60.286 63.978 -3.692 2
1 887 . 1 1 A 80 80 VAL CB C 80 30.948 32.386 -1.438 2
1 890 . 1 1 A 80 80 VAL N N 80 109.738 115.682 -5.944 2
1 891 . 1 1 A 81 81 GLY H H 81 7.210 7.578 -0.368 2
1 892 . 1 1 A 81 81 GLY HA2 H 81 4.511 4.074 0.437 2
1 893 . 1 1 A 81 81 GLY HA3 H 81 3.664 4.105 -0.441 2
1 894 . 1 1 A 81 81 GLY C C 81 175.262 175.476 -0.214 2
1 895 . 1 1 A 81 81 GLY CA C 81 44.964 45.623 -0.659 2
1 896 . 1 1 A 81 81 GLY N N 81 106.697 109.621 -2.924 2
1 897 . 1 1 A 82 82 GLY H H 82 8.673 8.532 0.141 2
1 898 . 1 1 A 82 82 GLY HA2 H 82 4.022 3.973 0.049 2
1 899 . 1 1 A 82 82 GLY HA3 H 82 3.150 3.984 -0.834 2
1 900 . 1 1 A 82 82 GLY C C 82 174.547 174.218 0.329 2
1 901 . 1 1 A 82 82 GLY CA C 82 45.151 46.157 -1.006 2
1 902 . 1 1 A 82 82 GLY N N 82 111.931 108.522 3.409 2
1 903 . 1 1 A 83 83 MET H H 83 8.841 8.134 0.707 2
1 904 . 1 1 A 83 83 MET HA H 83 4.582 4.710 -0.128 2
1 909 . 1 1 A 83 83 MET C C 83 176.001 175.344 0.657 2
1 910 . 1 1 A 83 83 MET CA C 83 55.737 54.787 0.950 2
1 911 . 1 1 A 83 83 MET CB C 83 30.273 33.005 -2.732 2
1 913 . 1 1 A 83 83 MET N N 83 119.840 117.749 2.091 2
1 914 . 1 1 A 84 84 ASP H H 84 7.395 8.278 -0.883 2
1 915 . 1 1 A 84 84 ASP HA H 84 4.695 4.951 -0.256 2
1 918 . 1 1 A 84 84 ASP C C 84 176.694 175.121 1.573 2
1 919 . 1 1 A 84 84 ASP CA C 84 54.300 53.160 1.140 2
1 920 . 1 1 A 84 84 ASP CB C 84 41.551 41.660 -0.109 2
1 921 . 1 1 A 84 84 ASP N N 84 114.478 120.407 -5.929 2
1 922 . 1 1 A 85 85 TYR H H 85 7.930 7.950 -0.020 2
1 923 . 1 1 A 85 85 TYR HA H 85 4.148 4.707 -0.559 2
1 926 . 1 1 A 85 85 TYR C C 85 173.845 175.153 -1.308 2
1 927 . 1 1 A 85 85 TYR CA C 85 59.520 57.215 2.305 2
1 928 . 1 1 A 85 85 TYR CB C 85 38.105 38.941 -0.836 2
1 929 . 1 1 A 85 85 TYR N N 85 123.769 121.867 1.902 2
1 930 . 1 1 A 86 86 VAL H H 86 7.755 8.212 -0.457 2
1 931 . 1 1 A 86 86 VAL HA H 86 3.402 4.209 -0.807 2
1 939 . 1 1 A 86 86 VAL C C 86 173.896 175.556 -1.660 2
1 940 . 1 1 A 86 86 VAL CA C 86 62.779 61.716 1.063 2
1 941 . 1 1 A 86 86 VAL CB C 86 31.843 32.673 -0.830 2
1 944 . 1 1 A 86 86 VAL N N 86 130.130 124.445 5.685 2
1 945 . 1 1 A 87 87 LEU H H 87 7.069 8.557 -1.488 2
1 946 . 1 1 A 87 87 LEU HA H 87 3.833 4.854 -1.021 2
1 956 . 1 1 A 87 87 LEU C C 87 176.432 176.063 0.369 2
1 957 . 1 1 A 87 87 LEU CA C 87 55.977 53.769 2.208 2
1 958 . 1 1 A 87 87 LEU CB C 87 42.126 43.903 -1.777 2
1 962 . 1 1 A 87 87 LEU N N 87 121.577 125.228 -3.651 2
1 963 . 1 1 A 88 88 ASN H H 88 8.705 8.767 -0.062 2
1 964 . 1 1 A 88 88 ASN HA H 88 4.717 4.994 -0.277 2
1 967 . 1 1 A 88 88 ASN C C 88 173.156 174.299 -1.143 2
1 968 . 1 1 A 88 88 ASN CA C 88 51.471 52.795 -1.324 2
1 969 . 1 1 A 88 88 ASN CB C 88 41.622 40.065 1.557 2
1 970 . 1 1 A 88 88 ASN N N 88 120.561 119.683 0.878 2
1 971 . 1 1 A 89 89 ASP H H 89 8.482 8.305 0.177 2
1 972 . 1 1 A 89 89 ASP HA H 89 3.937 4.463 -0.526 2
1 975 . 1 1 A 89 89 ASP C C 89 178.751 176.100 2.651 2
1 976 . 1 1 A 89 89 ASP CA C 89 56.268 54.872 1.396 2
1 977 . 1 1 A 89 89 ASP CB C 89 40.380 40.582 -0.202 2
1 978 . 1 1 A 89 89 ASP N N 89 122.084 117.851 4.233 2
1 979 . 1 1 A 90 90 GLY H H 90 9.334 8.322 1.012 2
1 980 . 1 1 A 90 90 GLY HA2 H 90 4.314 3.890 0.424 2
1 981 . 1 1 A 90 90 GLY HA3 H 90 3.619 3.964 -0.345 2
1 982 . 1 1 A 90 90 GLY C C 90 174.907 173.926 0.981 2
1 983 . 1 1 A 90 90 GLY CA C 90 45.076 45.366 -0.290 2
1 984 . 1 1 A 90 90 GLY N N 90 117.218 110.160 7.058 2
1 985 . 1 1 A 91 91 ASP H H 91 7.987 7.992 -0.005 2
1 986 . 1 1 A 91 91 ASP HA H 91 4.745 4.886 -0.141 2
1 989 . 1 1 A 91 91 ASP C C 91 175.436 175.277 0.159 2
1 990 . 1 1 A 91 91 ASP CA C 91 55.954 53.607 2.347 2
1 991 . 1 1 A 91 91 ASP CB C 91 41.876 42.444 -0.568 2
1 992 . 1 1 A 91 91 ASP N N 91 122.336 121.140 1.196 2
1 993 . 1 1 A 92 92 THR H H 92 8.227 8.630 -0.403 2
1 994 . 1 1 A 92 92 THR HA H 92 5.093 5.098 -0.005 2
1 999 . 1 1 A 92 92 THR C C 92 173.702 173.023 0.679 2
1 1000 . 1 1 A 92 92 THR CA C 92 61.477 61.866 -0.389 2
1 1001 . 1 1 A 92 92 THR CB C 92 70.032 70.849 -0.817 2
1 1003 . 1 1 A 92 92 THR N N 92 115.456 118.283 -2.827 2
1 1004 . 1 1 A 93 93 VAL H H 93 9.039 8.991 0.048 2
1 1005 . 1 1 A 93 93 VAL HA H 93 4.731 4.908 -0.177 2
1 1013 . 1 1 A 93 93 VAL C C 93 173.391 173.283 0.108 2
1 1014 . 1 1 A 93 93 VAL CA C 93 59.984 59.783 0.201 2
1 1015 . 1 1 A 93 93 VAL CB C 93 33.978 34.886 -0.908 2
1 1018 . 1 1 A 93 93 VAL N N 93 129.109 125.751 3.358 2
1 1019 . 1 1 A 94 94 GLU H H 94 9.012 8.342 0.670 2
1 1020 . 1 1 A 94 94 GLU HA H 94 4.941 4.784 0.157 2
1 1025 . 1 1 A 94 94 GLU C C 94 173.669 174.967 -1.298 2
1 1026 . 1 1 A 94 94 GLU CA C 94 53.577 54.302 -0.725 2
1 1027 . 1 1 A 94 94 GLU CB C 94 32.853 33.468 -0.615 2
1 1029 . 1 1 A 94 94 GLU N N 94 126.881 127.034 -0.153 2
1 1030 . 1 1 A 95 95 PHE H H 95 9.012 8.336 0.676 2
1 1031 . 1 1 A 95 95 PHE HA H 95 4.941 5.125 -0.183 2
1 1034 . 1 1 A 95 95 PHE C C 95 174.687 174.570 0.117 2
1 1035 . 1 1 A 95 95 PHE CA C 95 56.843 56.488 0.355 2
1 1036 . 1 1 A 95 95 PHE CB C 95 40.889 40.595 0.294 2
1 1037 . 1 1 A 95 95 PHE N N 95 122.718 119.931 2.787 2
1 1038 . 1 1 A 96 96 ILE H H 96 9.292 9.104 0.188 2
1 1039 . 1 1 A 96 96 ILE HA H 96 4.573 4.936 -0.363 2
1 1049 . 1 1 A 96 96 ILE C C 96 175.897 175.132 0.765 2
1 1050 . 1 1 A 96 96 ILE CA C 96 59.748 60.472 -0.724 2
1 1051 . 1 1 A 96 96 ILE CB C 96 40.938 39.308 1.630 2
1 1055 . 1 1 A 96 96 ILE N N 96 123.112 125.172 -2.060 2
1 1056 . 1 1 A 97 97 SER H H 97 8.245 8.879 -0.634 2
1 1057 . 1 1 A 97 97 SER HA H 97 4.800 4.806 -0.006 2
1 1060 . 1 1 A 97 97 SER C C 97 175.130 174.523 0.607 2
1 1061 . 1 1 A 97 97 SER CA C 97 58.154 58.340 -0.186 2
1 1062 . 1 1 A 97 97 SER CB C 97 63.137 63.563 -0.426 2
1 1063 . 1 1 A 97 97 SER N N 97 121.343 123.641 -2.298 2
1 1064 . 1 1 A 98 98 THR H H 98 8.181 8.840 -0.659 2
1 1065 . 1 1 A 98 98 THR HA H 98 4.549 4.532 0.017 2
1 1070 . 1 1 A 98 98 THR C C 98 174.729 174.430 0.299 2
1 1071 . 1 1 A 98 98 THR CA C 98 61.603 62.752 -1.149 2
1 1072 . 1 1 A 98 98 THR CB C 98 69.890 70.048 -0.158 2
1 1074 . 1 1 A 98 98 THR N N 98 116.451 116.874 -0.423 2
1 1075 . 1 1 A 99 99 LEU H H 99 8.033 7.610 0.423 2
1 1076 . 1 1 A 99 99 LEU HA H 99 4.234 4.409 -0.175 2
1 1086 . 1 1 A 99 99 LEU C C 99 177.349 175.863 1.486 2
1 1087 . 1 1 A 99 99 LEU CA C 99 55.517 54.669 0.848 2
1 1088 . 1 1 A 99 99 LEU CB C 99 41.996 42.497 -0.501 2
1 1092 . 1 1 A 99 99 LEU N N 99 122.869 122.377 0.492 2
1 1093 . 1 1 A 100 100 HIS H H 100 8.558 8.787 -0.229 2
1 1094 . 1 1 A 100 100 HIS HA H 100 4.460 4.856 -0.396 2
1 1097 . 1 1 A 100 100 HIS C C 100 175.718 175.122 0.596 2
1 1098 . 1 1 A 100 100 HIS CA C 100 56.096 55.513 0.583 2
1 1099 . 1 1 A 100 100 HIS CB C 100 29.709 31.127 -1.418 2
1 1100 . 1 1 A 100 100 HIS N N 100 120.437 123.504 -3.067 2
1 1101 . 1 1 A 101 101 GLY H H 101 8.477 8.142 0.335 2
1 1102 . 1 1 A 101 101 GLY HA2 H 101 3.888 3.929 -0.041 2
1 1103 . 1 1 A 101 101 GLY HA3 H 101 3.888 3.974 -0.086 2
1 1104 . 1 1 A 101 101 GLY C C 101 174.614 173.793 0.821 2
1 1105 . 1 1 A 101 101 GLY CA C 101 45.529 45.663 -0.134 2
1 1106 . 1 1 A 101 101 GLY N N 101 110.340 109.770 0.570 2
stop_
save_