data_10176_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10176
_Entry.PDB_ID 2YTM
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.411 45.008 0.403 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.041 4.191 -0.150 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.041 4.194 -0.153 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.569 172.049 2.520 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.805 115.781 -2.976 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.148 8.373 -0.225 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.937 60.831 1.106 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.368 5.041 -0.673 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.797 71.105 -1.308 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.281 173.844 1.437 1
1 16 . 1 1 1 A 9 9 GLY N N 9 111.033 111.840 -0.807 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.450 8.499 -0.049 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.415 44.651 0.764 1
1 19 . 1 1 1 A 9 9 GLY HA2 H 9 3.959 4.141 -0.182 1
1 20 . 1 1 1 A 9 9 GLY HA3 H 9 3.959 4.149 -0.190 1
1 21 . 1 1 1 A 9 9 GLY C C 9 174.015 172.219 1.796 1
1 22 . 1 1 1 A 10 10 GLU N N 10 120.268 119.190 1.078 1
1 23 . 1 1 1 A 10 10 GLU H H 10 8.220 8.316 -0.096 1
1 24 . 1 1 1 A 10 10 GLU CA C 10 56.694 54.956 1.738 1
1 25 . 1 1 1 A 10 10 GLU HA H 10 4.210 5.071 -0.861 1
1 26 . 1 1 1 A 10 10 GLU CB C 10 30.530 33.446 -2.916 1
1 32 . 1 1 1 A 10 10 GLU C C 10 176.497 175.593 0.904 1
1 33 . 1 1 1 A 11 11 LYS N N 11 122.135 123.759 -1.624 1
1 34 . 1 1 1 A 11 11 LYS H H 11 8.387 8.747 -0.360 1
1 35 . 1 1 1 A 11 11 LYS CA C 11 53.918 53.704 0.214 1
1 36 . 1 1 1 A 11 11 LYS HA H 11 4.555 5.125 -0.570 1
1 37 . 1 1 1 A 11 11 LYS CB C 11 33.223 33.347 -0.124 1
1 49 . 1 1 1 A 11 11 LYS C C 11 174.096 174.957 -0.861 1
1 50 . 1 1 1 A 12 12 PRO CA C 12 63.645 63.958 -0.313 1
1 51 . 1 1 1 A 12 12 PRO HA H 12 4.298 4.368 -0.070 1
1 52 . 1 1 1 A 12 12 PRO CB C 12 32.332 31.459 0.873 1
1 61 . 1 1 1 A 12 12 PRO C C 12 176.462 176.684 -0.222 1
1 62 . 1 1 1 A 13 13 TYR N N 13 118.803 118.783 0.020 1
1 63 . 1 1 1 A 13 13 TYR H H 13 7.796 7.834 -0.038 1
1 64 . 1 1 1 A 13 13 TYR CA C 13 57.652 60.316 -2.664 1
1 65 . 1 1 1 A 13 13 TYR HA H 13 4.640 4.374 0.266 1
1 66 . 1 1 1 A 13 13 TYR CB C 13 38.399 39.687 -1.288 1
1 77 . 1 1 1 A 13 13 TYR C C 13 174.480 175.883 -1.403 1
1 78 . 1 1 1 A 14 14 LYS N N 14 123.448 119.088 4.360 1
1 79 . 1 1 1 A 14 14 LYS H H 14 8.515 8.007 0.508 1
1 80 . 1 1 1 A 14 14 LYS CA C 14 54.743 54.351 0.392 1
1 81 . 1 1 1 A 14 14 LYS HA H 14 5.139 4.991 0.148 1
1 82 . 1 1 1 A 14 14 LYS CB C 14 35.330 35.787 -0.457 1
1 94 . 1 1 1 A 14 14 LYS C C 14 175.781 175.862 -0.081 1
1 95 . 1 1 1 A 15 15 CYS N N 15 126.149 124.671 1.478 1
1 96 . 1 1 1 A 15 15 CYS H H 15 9.206 9.074 0.132 1
1 97 . 1 1 1 A 15 15 CYS CA C 15 59.419 60.278 -0.859 1
1 98 . 1 1 1 A 15 15 CYS HA H 15 4.452 4.526 -0.074 1
1 99 . 1 1 1 A 15 15 CYS CB C 15 30.193 28.402 1.791 1
1 102 . 1 1 1 A 15 15 CYS C C 15 177.815 174.763 3.052 1
1 103 . 1 1 1 A 16 16 MET N N 16 130.364 126.268 4.096 1
1 104 . 1 1 1 A 16 16 MET H H 16 9.109 8.607 0.502 1
1 105 . 1 1 1 A 16 16 MET CA C 16 57.294 56.797 0.497 1
1 106 . 1 1 1 A 16 16 MET HA H 16 4.344 4.484 -0.140 1
1 107 . 1 1 1 A 16 16 MET CB C 16 32.125 33.029 -0.904 1
1 117 . 1 1 1 A 16 16 MET C C 16 176.516 177.945 -1.429 1
1 118 . 1 1 1 A 17 17 GLU N N 17 121.077 118.587 2.490 1
1 119 . 1 1 1 A 17 17 GLU H H 17 8.854 8.337 0.517 1
1 120 . 1 1 1 A 17 17 GLU CA C 17 58.171 59.472 -1.301 1
1 121 . 1 1 1 A 17 17 GLU HA H 17 4.262 3.947 0.315 1
1 122 . 1 1 1 A 17 17 GLU CB C 17 29.895 29.049 0.846 1
1 128 . 1 1 1 A 17 17 GLU C C 17 177.191 178.265 -1.074 1
1 129 . 1 1 1 A 18 18 CYS N N 18 115.700 114.798 0.902 1
1 130 . 1 1 1 A 18 18 CYS H H 18 8.241 8.056 0.185 1
1 131 . 1 1 1 A 18 18 CYS CA C 18 58.418 59.685 -1.267 1
1 132 . 1 1 1 A 18 18 CYS HA H 18 5.154 4.714 0.440 1
1 133 . 1 1 1 A 18 18 CYS CB C 18 32.494 30.121 2.373 1
1 136 . 1 1 1 A 18 18 CYS C C 18 176.450 175.757 0.693 1
1 137 . 1 1 1 A 19 19 GLY N N 19 113.303 109.708 3.595 1
1 138 . 1 1 1 A 19 19 GLY H H 19 8.052 8.646 -0.594 1
1 139 . 1 1 1 A 19 19 GLY CA C 19 46.231 46.367 -0.136 1
1 140 . 1 1 1 A 19 19 GLY HA2 H 19 3.797 4.006 -0.209 1
1 141 . 1 1 1 A 19 19 GLY HA3 H 19 4.246 4.026 0.220 1
1 142 . 1 1 1 A 19 19 GLY C C 19 173.412 173.911 -0.499 1
1 143 . 1 1 1 A 20 20 LYS N N 20 123.674 120.334 3.340 1
1 144 . 1 1 1 A 20 20 LYS H H 20 8.067 7.821 0.246 1
1 145 . 1 1 1 A 20 20 LYS CA C 20 58.381 55.039 3.342 1
1 146 . 1 1 1 A 20 20 LYS HA H 20 3.928 4.930 -1.002 1
1 147 . 1 1 1 A 20 20 LYS CB C 20 33.713 35.738 -2.025 1
1 159 . 1 1 1 A 20 20 LYS C C 20 173.631 174.555 -0.924 1
1 160 . 1 1 1 A 21 21 ALA N N 21 125.402 128.133 -2.731 1
1 161 . 1 1 1 A 21 21 ALA H H 21 7.887 8.791 -0.904 1
1 162 . 1 1 1 A 21 21 ALA CA C 21 50.759 51.667 -0.908 1
1 163 . 1 1 1 A 21 21 ALA HA H 21 5.081 5.081 0.000 1
1 164 . 1 1 1 A 21 21 ALA CB C 21 21.883 20.396 1.487 1
1 168 . 1 1 1 A 21 21 ALA C C 21 176.527 176.720 -0.193 1
1 169 . 1 1 1 A 22 22 PHE N N 22 117.170 118.573 -1.403 1
1 170 . 1 1 1 A 22 22 PHE H H 22 8.990 9.006 -0.016 1
1 171 . 1 1 1 A 22 22 PHE CA C 22 57.350 56.240 1.110 1
1 172 . 1 1 1 A 22 22 PHE HA H 22 4.659 4.998 -0.339 1
1 173 . 1 1 1 A 22 22 PHE CB C 22 44.390 42.996 1.394 1
1 186 . 1 1 1 A 22 22 PHE C C 22 175.725 176.103 -0.378 1
1 187 . 1 1 1 A 23 23 GLY N N 23 107.188 110.602 -3.414 1
1 188 . 1 1 1 A 23 23 GLY H H 23 9.268 8.610 0.658 1
1 189 . 1 1 1 A 23 23 GLY CA C 23 46.079 46.491 -0.412 1
1 190 . 1 1 1 A 23 23 GLY HA2 H 23 4.077 3.927 0.150 1
1 191 . 1 1 1 A 23 23 GLY HA3 H 23 4.414 3.931 0.483 1
1 192 . 1 1 1 A 23 23 GLY C C 23 172.890 173.885 -0.995 1
1 193 . 1 1 1 A 24 24 ASP N N 24 114.453 119.234 -4.781 1
1 194 . 1 1 1 A 24 24 ASP H H 24 7.507 8.068 -0.561 1
1 195 . 1 1 1 A 24 24 ASP CA C 24 52.483 52.629 -0.146 1
1 196 . 1 1 1 A 24 24 ASP HA H 24 4.760 4.939 -0.179 1
1 197 . 1 1 1 A 24 24 ASP CB C 24 43.786 42.660 1.126 1
1 200 . 1 1 1 A 24 24 ASP C C 24 174.172 176.558 -2.386 1
1 201 . 1 1 1 A 25 25 ASN N N 25 119.702 125.628 -5.926 1
1 202 . 1 1 1 A 25 25 ASN H H 25 8.385 9.024 -0.639 1
1 203 . 1 1 1 A 25 25 ASN CA C 25 55.536 57.341 -1.805 1
1 204 . 1 1 1 A 25 25 ASN HA H 25 3.715 4.304 -0.589 1
1 205 . 1 1 1 A 25 25 ASN CB C 25 38.986 38.769 0.217 1
1 211 . 1 1 1 A 25 25 ASN C C 25 177.693 177.194 0.499 1
1 212 . 1 1 1 A 26 26 SER CA C 26 61.855 61.959 -0.104 1
1 213 . 1 1 1 A 26 26 SER HA H 26 4.021 4.170 -0.149 1
1 214 . 1 1 1 A 26 26 SER CB C 26 62.050 62.672 -0.622 1
1 217 . 1 1 1 A 26 26 SER C C 26 177.134 176.961 0.173 1
1 218 . 1 1 1 A 27 27 SER N N 27 118.698 115.881 2.817 1
1 219 . 1 1 1 A 27 27 SER H H 27 8.647 8.397 0.250 1
1 220 . 1 1 1 A 27 27 SER CA C 27 61.907 61.397 0.510 1
1 221 . 1 1 1 A 27 27 SER HA H 27 4.100 4.223 -0.123 1
1 222 . 1 1 1 A 27 27 SER CB C 27 62.115 62.580 -0.465 1
1 225 . 1 1 1 A 27 27 SER C C 27 176.423 176.435 -0.012 1
1 226 . 1 1 1 A 28 28 CYS N N 28 122.742 120.735 2.007 1
1 227 . 1 1 1 A 28 28 CYS H H 28 6.956 8.018 -1.062 1
1 228 . 1 1 1 A 28 28 CYS CA C 28 61.820 62.367 -0.547 1
1 229 . 1 1 1 A 28 28 CYS HA H 28 2.705 2.871 -0.166 1
1 230 . 1 1 1 A 28 28 CYS CB C 28 26.539 26.190 0.349 1
1 233 . 1 1 1 A 28 28 CYS C C 28 175.832 176.556 -0.724 1
1 234 . 1 1 1 A 29 29 THR N N 29 115.897 115.243 0.654 1
1 235 . 1 1 1 A 29 29 THR H H 29 8.427 8.490 -0.063 1
1 236 . 1 1 1 A 29 29 THR CA C 29 66.778 65.278 1.500 1
1 237 . 1 1 1 A 29 29 THR HA H 29 3.884 3.892 -0.008 1
1 238 . 1 1 1 A 29 29 THR CB C 29 68.701 68.875 -0.174 1
1 244 . 1 1 1 A 29 29 THR C C 29 177.027 177.033 -0.006 1
1 245 . 1 1 1 A 30 30 GLN N N 30 120.743 119.646 1.097 1
1 246 . 1 1 1 A 30 30 GLN H H 30 8.083 7.468 0.615 1
1 247 . 1 1 1 A 30 30 GLN CA C 30 58.996 59.045 -0.049 1
1 248 . 1 1 1 A 30 30 GLN HA H 30 3.908 3.936 -0.028 1
1 249 . 1 1 1 A 30 30 GLN CB C 30 28.430 28.552 -0.122 1
1 255 . 1 1 1 A 30 30 GLN C C 30 178.340 178.156 0.184 1
1 256 . 1 1 1 A 31 31 HIS N N 31 118.530 119.360 -0.830 1
1 257 . 1 1 1 A 31 31 HIS H H 31 7.436 8.099 -0.663 1
1 258 . 1 1 1 A 31 31 HIS CA C 31 59.161 59.736 -0.575 1
1 259 . 1 1 1 A 31 31 HIS HA H 31 4.186 4.081 0.105 1
1 260 . 1 1 1 A 31 31 HIS CB C 31 28.230 29.637 -1.407 1
1 267 . 1 1 1 A 31 31 HIS C C 31 176.587 176.636 -0.049 1
1 268 . 1 1 1 A 32 32 GLN N N 32 117.813 117.182 0.631 1
1 269 . 1 1 1 A 32 32 GLN H H 32 8.384 7.790 0.594 1
1 270 . 1 1 1 A 32 32 GLN CA C 32 59.325 59.223 0.102 1
1 271 . 1 1 1 A 32 32 GLN HA H 32 3.895 3.815 0.080 1
1 272 . 1 1 1 A 32 32 GLN CB C 32 28.890 28.303 0.587 1
1 281 . 1 1 1 A 32 32 GLN C C 32 178.421 178.171 0.250 1
1 282 . 1 1 1 A 33 33 ARG N N 33 117.148 120.480 -3.332 1
1 283 . 1 1 1 A 33 33 ARG H H 33 7.394 8.060 -0.666 1
1 284 . 1 1 1 A 33 33 ARG CA C 33 58.234 58.879 -0.645 1
1 285 . 1 1 1 A 33 33 ARG HA H 33 4.123 4.026 0.097 1
1 286 . 1 1 1 A 33 33 ARG CB C 33 29.993 30.149 -0.156 1
1 295 . 1 1 1 A 33 33 ARG C C 33 177.784 178.126 -0.342 1
1 296 . 1 1 1 A 34 34 LEU N N 34 118.313 118.080 0.233 1
1 297 . 1 1 1 A 34 34 LEU H H 34 7.675 7.574 0.101 1
1 298 . 1 1 1 A 34 34 LEU CA C 34 56.303 57.766 -1.463 1
1 299 . 1 1 1 A 34 34 LEU HA H 34 4.058 3.963 0.095 1
1 300 . 1 1 1 A 34 34 LEU CB C 34 41.324 41.353 -0.029 1
1 313 . 1 1 1 A 34 34 LEU C C 34 178.808 178.716 0.092 1
1 314 . 1 1 1 A 35 35 HIS N N 35 115.638 118.732 -3.094 1
1 315 . 1 1 1 A 35 35 HIS H H 35 7.266 7.626 -0.360 1
1 316 . 1 1 1 A 35 35 HIS CA C 35 56.022 59.729 -3.707 1
1 317 . 1 1 1 A 35 35 HIS HA H 35 4.712 4.128 0.584 1
1 318 . 1 1 1 A 35 35 HIS CB C 35 28.540 29.459 -0.919 1
1 325 . 1 1 1 A 35 35 HIS C C 35 175.711 177.593 -1.882 1
1 326 . 1 1 1 A 36 36 THR N N 36 112.637 114.938 -2.301 1
1 327 . 1 1 1 A 36 36 THR H H 36 7.882 8.453 -0.571 1
1 328 . 1 1 1 A 36 36 THR CA C 36 62.455 66.397 -3.942 1
1 329 . 1 1 1 A 36 36 THR HA H 36 4.359 3.774 0.585 1
1 330 . 1 1 1 A 36 36 THR CB C 36 69.921 68.449 1.472 1
1 336 . 1 1 1 A 36 36 THR C C 36 175.355 176.371 -1.016 1
1 337 . 1 1 1 A 37 37 GLY N N 37 110.846 108.444 2.402 1
1 338 . 1 1 1 A 37 37 GLY H H 37 8.350 8.487 -0.137 1
1 339 . 1 1 1 A 37 37 GLY CA C 37 45.411 44.958 0.453 1
1 340 . 1 1 1 A 37 37 GLY HA2 H 37 4.005 4.024 -0.019 1
1 341 . 1 1 1 A 37 37 GLY HA3 H 37 4.005 4.026 -0.021 1
1 342 . 1 1 1 A 37 37 GLY C C 37 174.062 174.916 -0.854 1
1 343 . 1 1 1 A 38 38 GLN N N 38 119.605 118.671 0.934 1
1 344 . 1 1 1 A 38 38 GLN H H 38 8.139 8.747 -0.608 1
1 345 . 1 1 1 A 38 38 GLN CA C 38 55.660 59.113 -3.453 1
1 346 . 1 1 1 A 38 38 GLN HA H 38 4.330 3.860 0.470 1
1 347 . 1 1 1 A 38 38 GLN CB C 38 29.565 28.518 1.047 1
1 353 . 1 1 1 A 38 38 GLN C C 38 175.790 176.062 -0.272 1
1 354 . 1 1 1 A 39 39 ARG N N 39 123.670 116.080 7.590 1
1 355 . 1 1 1 A 39 39 ARG H H 39 8.405 7.858 0.547 1
1 356 . 1 1 1 A 39 39 ARG CA C 39 54.074 56.392 -2.318 1
1 357 . 1 1 1 A 39 39 ARG HA H 39 4.624 3.971 0.653 1
1 358 . 1 1 1 A 39 39 ARG CB C 39 30.193 28.023 2.170 1
1 367 . 1 1 1 A 39 39 ARG C C 39 174.276 174.431 -0.155 1
1 368 . 1 1 1 A 40 40 PRO CA C 40 63.263 62.834 0.429 1
1 369 . 1 1 1 A 40 40 PRO HA H 40 4.475 4.540 -0.065 1
1 370 . 1 1 1 A 40 40 PRO CB C 40 32.130 32.180 -0.050 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.411 47.344 -1.933 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.041 3.769 0.272 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.041 3.772 0.269 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.569 175.308 -0.739 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.805 114.405 -1.600 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.148 8.144 0.004 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.937 63.010 -1.073 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.368 4.145 0.223 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.797 66.761 3.036 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.281 174.927 0.354 1
1 16 . 2 1 1 A 9 9 GLY N N 9 111.033 110.682 0.351 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.450 8.001 0.449 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.415 47.133 -1.718 1
1 19 . 2 1 1 A 9 9 GLY HA2 H 9 3.959 3.796 0.163 1
1 20 . 2 1 1 A 9 9 GLY HA3 H 9 3.959 3.798 0.161 1
1 21 . 2 1 1 A 9 9 GLY C C 9 174.015 175.206 -1.191 1
1 22 . 2 1 1 A 10 10 GLU N N 10 120.268 118.934 1.334 1
1 23 . 2 1 1 A 10 10 GLU H H 10 8.220 7.842 0.378 1
1 24 . 2 1 1 A 10 10 GLU CA C 10 56.694 56.144 0.550 1
1 25 . 2 1 1 A 10 10 GLU HA H 10 4.210 4.379 -0.169 1
1 26 . 2 1 1 A 10 10 GLU CB C 10 30.530 30.286 0.244 1
1 32 . 2 1 1 A 10 10 GLU C C 10 176.497 176.059 0.438 1
1 33 . 2 1 1 A 11 11 LYS N N 11 122.135 122.872 -0.737 1
1 34 . 2 1 1 A 11 11 LYS H H 11 8.387 8.311 0.076 1
1 35 . 2 1 1 A 11 11 LYS CA C 11 53.918 53.381 0.537 1
1 36 . 2 1 1 A 11 11 LYS HA H 11 4.555 4.640 -0.085 1
1 37 . 2 1 1 A 11 11 LYS CB C 11 33.223 32.766 0.457 1
1 49 . 2 1 1 A 11 11 LYS C C 11 174.096 174.952 -0.856 1
1 50 . 2 1 1 A 12 12 PRO CA C 12 63.645 65.069 -1.424 1
1 51 . 2 1 1 A 12 12 PRO HA H 12 4.298 4.260 0.038 1
1 52 . 2 1 1 A 12 12 PRO CB C 12 32.332 31.742 0.590 1
1 61 . 2 1 1 A 12 12 PRO C C 12 176.462 178.374 -1.912 1
1 62 . 2 1 1 A 13 13 TYR N N 13 118.803 114.741 4.062 1
1 63 . 2 1 1 A 13 13 TYR H H 13 7.796 7.818 -0.022 1
1 64 . 2 1 1 A 13 13 TYR CA C 13 57.652 60.566 -2.914 1
1 65 . 2 1 1 A 13 13 TYR HA H 13 4.640 4.368 0.272 1
1 66 . 2 1 1 A 13 13 TYR CB C 13 38.399 37.259 1.140 1
1 77 . 2 1 1 A 13 13 TYR C C 13 174.480 176.352 -1.872 1
1 78 . 2 1 1 A 14 14 LYS N N 14 123.448 119.689 3.759 1
1 79 . 2 1 1 A 14 14 LYS H H 14 8.515 7.036 1.479 1
1 80 . 2 1 1 A 14 14 LYS CA C 14 54.743 54.645 0.098 1
1 81 . 2 1 1 A 14 14 LYS HA H 14 5.139 4.692 0.447 1
1 82 . 2 1 1 A 14 14 LYS CB C 14 35.330 33.585 1.745 1
1 94 . 2 1 1 A 14 14 LYS C C 14 175.781 175.363 0.418 1
1 95 . 2 1 1 A 15 15 CYS N N 15 126.149 120.689 5.460 1
1 96 . 2 1 1 A 15 15 CYS H H 15 9.206 8.748 0.458 1
1 97 . 2 1 1 A 15 15 CYS CA C 15 59.419 59.202 0.217 1
1 98 . 2 1 1 A 15 15 CYS HA H 15 4.452 4.498 -0.046 1
1 99 . 2 1 1 A 15 15 CYS CB C 15 30.193 28.274 1.919 1
1 102 . 2 1 1 A 15 15 CYS C C 15 177.815 176.637 1.178 1
1 103 . 2 1 1 A 16 16 MET N N 16 130.364 125.558 4.806 1
1 104 . 2 1 1 A 16 16 MET H H 16 9.109 8.721 0.388 1
1 105 . 2 1 1 A 16 16 MET CA C 16 57.294 56.172 1.122 1
1 106 . 2 1 1 A 16 16 MET HA H 16 4.344 4.438 -0.094 1
1 107 . 2 1 1 A 16 16 MET CB C 16 32.125 31.514 0.611 1
1 117 . 2 1 1 A 16 16 MET C C 16 176.516 175.637 0.879 1
1 118 . 2 1 1 A 17 17 GLU N N 17 121.077 117.468 3.609 1
1 119 . 2 1 1 A 17 17 GLU H H 17 8.854 7.851 1.003 1
1 120 . 2 1 1 A 17 17 GLU CA C 17 58.171 57.518 0.653 1
1 121 . 2 1 1 A 17 17 GLU HA H 17 4.262 4.353 -0.091 1
1 122 . 2 1 1 A 17 17 GLU CB C 17 29.895 30.536 -0.641 1
1 128 . 2 1 1 A 17 17 GLU C C 17 177.191 178.035 -0.844 1
1 129 . 2 1 1 A 18 18 CYS N N 18 115.700 115.025 0.675 1
1 130 . 2 1 1 A 18 18 CYS H H 18 8.241 8.077 0.164 1
1 131 . 2 1 1 A 18 18 CYS CA C 18 58.418 59.484 -1.066 1
1 132 . 2 1 1 A 18 18 CYS HA H 18 5.154 4.693 0.461 1
1 133 . 2 1 1 A 18 18 CYS CB C 18 32.494 30.095 2.399 1
1 136 . 2 1 1 A 18 18 CYS C C 18 176.450 175.957 0.493 1
1 137 . 2 1 1 A 19 19 GLY N N 19 113.303 110.089 3.214 1
1 138 . 2 1 1 A 19 19 GLY H H 19 8.052 8.274 -0.222 1
1 139 . 2 1 1 A 19 19 GLY CA C 19 46.231 46.523 -0.292 1
1 140 . 2 1 1 A 19 19 GLY HA2 H 19 3.797 3.932 -0.135 1
1 141 . 2 1 1 A 19 19 GLY HA3 H 19 4.246 3.939 0.307 1
1 142 . 2 1 1 A 19 19 GLY C C 19 173.412 174.412 -1.000 1
1 143 . 2 1 1 A 20 20 LYS N N 20 123.674 119.493 4.181 1
1 144 . 2 1 1 A 20 20 LYS H H 20 8.067 7.773 0.294 1
1 145 . 2 1 1 A 20 20 LYS CA C 20 58.381 53.813 4.568 1
1 146 . 2 1 1 A 20 20 LYS HA H 20 3.928 4.605 -0.677 1
1 147 . 2 1 1 A 20 20 LYS CB C 20 33.713 35.040 -1.327 1
1 159 . 2 1 1 A 20 20 LYS C C 20 173.631 174.565 -0.934 1
1 160 . 2 1 1 A 21 21 ALA N N 21 125.402 121.772 3.630 1
1 161 . 2 1 1 A 21 21 ALA H H 21 7.887 8.338 -0.451 1
1 162 . 2 1 1 A 21 21 ALA CA C 21 50.759 49.777 0.982 1
1 163 . 2 1 1 A 21 21 ALA HA H 21 5.081 5.205 -0.124 1
1 164 . 2 1 1 A 21 21 ALA CB C 21 21.883 22.570 -0.687 1
1 168 . 2 1 1 A 21 21 ALA C C 21 176.527 175.395 1.132 1
1 169 . 2 1 1 A 22 22 PHE N N 22 117.170 117.519 -0.349 1
1 170 . 2 1 1 A 22 22 PHE H H 22 8.990 8.716 0.274 1
1 171 . 2 1 1 A 22 22 PHE CA C 22 57.350 56.559 0.791 1
1 172 . 2 1 1 A 22 22 PHE HA H 22 4.659 4.913 -0.254 1
1 173 . 2 1 1 A 22 22 PHE CB C 22 44.390 42.874 1.516 1
1 186 . 2 1 1 A 22 22 PHE C C 22 175.725 175.845 -0.120 1
1 187 . 2 1 1 A 23 23 GLY N N 23 107.188 111.972 -4.784 1
1 188 . 2 1 1 A 23 23 GLY H H 23 9.268 8.985 0.283 1
1 189 . 2 1 1 A 23 23 GLY CA C 23 46.079 46.426 -0.347 1
1 190 . 2 1 1 A 23 23 GLY HA2 H 23 4.077 3.853 0.224 1
1 191 . 2 1 1 A 23 23 GLY HA3 H 23 4.414 3.860 0.554 1
1 192 . 2 1 1 A 23 23 GLY C C 23 172.890 173.063 -0.173 1
1 193 . 2 1 1 A 24 24 ASP N N 24 114.453 119.421 -4.968 1
1 194 . 2 1 1 A 24 24 ASP H H 24 7.507 7.766 -0.259 1
1 195 . 2 1 1 A 24 24 ASP CA C 24 52.483 53.228 -0.745 1
1 196 . 2 1 1 A 24 24 ASP HA H 24 4.760 4.972 -0.212 1
1 197 . 2 1 1 A 24 24 ASP CB C 24 43.786 43.353 0.433 1
1 200 . 2 1 1 A 24 24 ASP C C 24 174.172 176.208 -2.036 1
1 201 . 2 1 1 A 25 25 ASN N N 25 119.702 124.771 -5.069 1
1 202 . 2 1 1 A 25 25 ASN H H 25 8.385 9.279 -0.894 1
1 203 . 2 1 1 A 25 25 ASN CA C 25 55.536 56.951 -1.415 1
1 204 . 2 1 1 A 25 25 ASN HA H 25 3.715 4.410 -0.695 1
1 205 . 2 1 1 A 25 25 ASN CB C 25 38.986 38.070 0.916 1
1 211 . 2 1 1 A 25 25 ASN C C 25 177.693 177.394 0.299 1
1 212 . 2 1 1 A 26 26 SER CA C 26 61.855 61.669 0.186 1
1 213 . 2 1 1 A 26 26 SER HA H 26 4.021 4.037 -0.016 1
1 214 . 2 1 1 A 26 26 SER CB C 26 62.050 63.013 -0.963 1
1 217 . 2 1 1 A 26 26 SER C C 26 177.134 177.177 -0.043 1
1 218 . 2 1 1 A 27 27 SER N N 27 118.698 116.767 1.931 1
1 219 . 2 1 1 A 27 27 SER H H 27 8.647 8.197 0.450 1
1 220 . 2 1 1 A 27 27 SER CA C 27 61.907 61.955 -0.048 1
1 221 . 2 1 1 A 27 27 SER HA H 27 4.100 4.051 0.049 1
1 222 . 2 1 1 A 27 27 SER CB C 27 62.115 62.987 -0.872 1
1 225 . 2 1 1 A 27 27 SER C C 27 176.423 175.554 0.869 1
1 226 . 2 1 1 A 28 28 CYS N N 28 122.742 120.608 2.134 1
1 227 . 2 1 1 A 28 28 CYS H H 28 6.956 8.550 -1.594 1
1 228 . 2 1 1 A 28 28 CYS CA C 28 61.820 62.744 -0.924 1
1 229 . 2 1 1 A 28 28 CYS HA H 28 2.705 3.399 -0.694 1
1 230 . 2 1 1 A 28 28 CYS CB C 28 26.539 27.170 -0.631 1
1 233 . 2 1 1 A 28 28 CYS C C 28 175.832 177.234 -1.402 1
1 234 . 2 1 1 A 29 29 THR N N 29 115.897 115.623 0.274 1
1 235 . 2 1 1 A 29 29 THR H H 29 8.427 7.631 0.796 1
1 236 . 2 1 1 A 29 29 THR CA C 29 66.778 66.973 -0.195 1
1 237 . 2 1 1 A 29 29 THR HA H 29 3.884 4.006 -0.122 1
1 238 . 2 1 1 A 29 29 THR CB C 29 68.701 68.335 0.366 1
1 244 . 2 1 1 A 29 29 THR C C 29 177.027 176.211 0.816 1
1 245 . 2 1 1 A 30 30 GLN N N 30 120.743 121.504 -0.761 1
1 246 . 2 1 1 A 30 30 GLN H H 30 8.083 7.924 0.159 1
1 247 . 2 1 1 A 30 30 GLN CA C 30 58.996 58.719 0.277 1
1 248 . 2 1 1 A 30 30 GLN HA H 30 3.908 3.926 -0.018 1
1 249 . 2 1 1 A 30 30 GLN CB C 30 28.430 28.411 0.019 1
1 255 . 2 1 1 A 30 30 GLN C C 30 178.340 178.829 -0.489 1
1 256 . 2 1 1 A 31 31 HIS N N 31 118.530 119.259 -0.729 1
1 257 . 2 1 1 A 31 31 HIS H H 31 7.436 8.211 -0.775 1
1 258 . 2 1 1 A 31 31 HIS CA C 31 59.161 59.018 0.143 1
1 259 . 2 1 1 A 31 31 HIS HA H 31 4.186 4.049 0.137 1
1 260 . 2 1 1 A 31 31 HIS CB C 31 28.230 29.837 -1.607 1
1 267 . 2 1 1 A 31 31 HIS C C 31 176.587 177.219 -0.632 1
1 268 . 2 1 1 A 32 32 GLN N N 32 117.813 116.412 1.401 1
1 269 . 2 1 1 A 32 32 GLN H H 32 8.384 8.841 -0.457 1
1 270 . 2 1 1 A 32 32 GLN CA C 32 59.325 58.653 0.672 1
1 271 . 2 1 1 A 32 32 GLN HA H 32 3.895 3.858 0.037 1
1 272 . 2 1 1 A 32 32 GLN CB C 32 28.890 27.790 1.100 1
1 281 . 2 1 1 A 32 32 GLN C C 32 178.421 177.848 0.573 1
1 282 . 2 1 1 A 33 33 ARG N N 33 117.148 119.517 -2.369 1
1 283 . 2 1 1 A 33 33 ARG H H 33 7.394 8.147 -0.753 1
1 284 . 2 1 1 A 33 33 ARG CA C 33 58.234 58.434 -0.200 1
1 285 . 2 1 1 A 33 33 ARG HA H 33 4.123 4.054 0.069 1
1 286 . 2 1 1 A 33 33 ARG CB C 33 29.993 29.234 0.759 1
1 295 . 2 1 1 A 33 33 ARG C C 33 177.784 178.151 -0.367 1
1 296 . 2 1 1 A 34 34 LEU N N 34 118.313 120.876 -2.563 1
1 297 . 2 1 1 A 34 34 LEU H H 34 7.675 7.177 0.498 1
1 298 . 2 1 1 A 34 34 LEU CA C 34 56.303 57.019 -0.716 1
1 299 . 2 1 1 A 34 34 LEU HA H 34 4.058 3.929 0.129 1
1 300 . 2 1 1 A 34 34 LEU CB C 34 41.324 41.935 -0.611 1
1 313 . 2 1 1 A 34 34 LEU C C 34 178.808 178.047 0.761 1
1 314 . 2 1 1 A 35 35 HIS N N 35 115.638 113.777 1.861 1
1 315 . 2 1 1 A 35 35 HIS H H 35 7.266 7.540 -0.274 1
1 316 . 2 1 1 A 35 35 HIS CA C 35 56.022 55.158 0.864 1
1 317 . 2 1 1 A 35 35 HIS HA H 35 4.712 4.790 -0.078 1
1 318 . 2 1 1 A 35 35 HIS CB C 35 28.540 29.694 -1.154 1
1 325 . 2 1 1 A 35 35 HIS C C 35 175.711 175.837 -0.126 1
1 326 . 2 1 1 A 36 36 THR N N 36 112.637 115.398 -2.761 1
1 327 . 2 1 1 A 36 36 THR H H 36 7.882 7.867 0.015 1
1 328 . 2 1 1 A 36 36 THR CA C 36 62.455 63.606 -1.151 1
1 329 . 2 1 1 A 36 36 THR HA H 36 4.359 4.220 0.139 1
1 330 . 2 1 1 A 36 36 THR CB C 36 69.921 69.451 0.470 1
1 336 . 2 1 1 A 36 36 THR C C 36 175.355 174.738 0.617 1
1 337 . 2 1 1 A 37 37 GLY N N 37 110.846 109.766 1.080 1
1 338 . 2 1 1 A 37 37 GLY H H 37 8.350 8.480 -0.130 1
1 339 . 2 1 1 A 37 37 GLY CA C 37 45.411 46.158 -0.747 1
1 340 . 2 1 1 A 37 37 GLY HA2 H 37 4.005 3.934 0.071 1
1 341 . 2 1 1 A 37 37 GLY HA3 H 37 4.005 3.936 0.069 1
1 342 . 2 1 1 A 37 37 GLY C C 37 174.062 174.333 -0.271 1
1 343 . 2 1 1 A 38 38 GLN N N 38 119.605 119.391 0.214 1
1 344 . 2 1 1 A 38 38 GLN H H 38 8.139 7.884 0.255 1
1 345 . 2 1 1 A 38 38 GLN CA C 38 55.660 54.595 1.065 1
1 346 . 2 1 1 A 38 38 GLN HA H 38 4.330 4.488 -0.158 1
1 347 . 2 1 1 A 38 38 GLN CB C 38 29.565 29.184 0.381 1
1 353 . 2 1 1 A 38 38 GLN C C 38 175.790 175.030 0.760 1
1 354 . 2 1 1 A 39 39 ARG N N 39 123.670 124.263 -0.593 1
1 355 . 2 1 1 A 39 39 ARG H H 39 8.405 8.455 -0.050 1
1 356 . 2 1 1 A 39 39 ARG CA C 39 54.074 52.902 1.172 1
1 357 . 2 1 1 A 39 39 ARG HA H 39 4.624 4.846 -0.222 1
1 358 . 2 1 1 A 39 39 ARG CB C 39 30.193 32.123 -1.930 1
1 367 . 2 1 1 A 39 39 ARG C C 39 174.276 175.796 -1.520 1
1 368 . 2 1 1 A 40 40 PRO CA C 40 63.263 63.664 -0.401 1
1 369 . 2 1 1 A 40 40 PRO HA H 40 4.475 4.566 -0.091 1
1 370 . 2 1 1 A 40 40 PRO CB C 40 32.130 32.029 0.101 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.411 46.155 -0.744 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.041 4.085 -0.044 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.041 4.086 -0.045 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.569 172.051 2.518 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.805 116.046 -3.241 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.148 8.417 -0.269 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.937 61.053 0.884 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.368 4.732 -0.364 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.797 70.335 -0.538 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.281 174.123 1.158 1
1 16 . 3 1 1 A 9 9 GLY N N 9 111.033 109.747 1.286 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.450 8.568 -0.118 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.415 45.889 -0.474 1
1 19 . 3 1 1 A 9 9 GLY HA2 H 9 3.959 4.185 -0.226 1
1 20 . 3 1 1 A 9 9 GLY HA3 H 9 3.959 4.185 -0.226 1
1 21 . 3 1 1 A 9 9 GLY C C 9 174.015 172.752 1.263 1
1 22 . 3 1 1 A 10 10 GLU N N 10 120.268 118.514 1.754 1
1 23 . 3 1 1 A 10 10 GLU H H 10 8.220 8.241 -0.021 1
1 24 . 3 1 1 A 10 10 GLU CA C 10 56.694 54.994 1.700 1
1 25 . 3 1 1 A 10 10 GLU HA H 10 4.210 5.046 -0.836 1
1 26 . 3 1 1 A 10 10 GLU CB C 10 30.530 32.329 -1.799 1
1 32 . 3 1 1 A 10 10 GLU C C 10 176.497 175.295 1.202 1
1 33 . 3 1 1 A 11 11 LYS N N 11 122.135 120.766 1.369 1
1 34 . 3 1 1 A 11 11 LYS H H 11 8.387 8.390 -0.003 1
1 35 . 3 1 1 A 11 11 LYS CA C 11 53.918 53.362 0.556 1
1 36 . 3 1 1 A 11 11 LYS HA H 11 4.555 4.442 0.113 1
1 37 . 3 1 1 A 11 11 LYS CB C 11 33.223 33.111 0.112 1
1 49 . 3 1 1 A 11 11 LYS C C 11 174.096 174.659 -0.563 1
1 50 . 3 1 1 A 12 12 PRO CA C 12 63.645 63.956 -0.311 1
1 51 . 3 1 1 A 12 12 PRO HA H 12 4.298 4.432 -0.134 1
1 52 . 3 1 1 A 12 12 PRO CB C 12 32.332 31.412 0.920 1
1 61 . 3 1 1 A 12 12 PRO C C 12 176.462 176.775 -0.313 1
1 62 . 3 1 1 A 13 13 TYR N N 13 118.803 115.424 3.379 1
1 63 . 3 1 1 A 13 13 TYR H H 13 7.796 7.480 0.316 1
1 64 . 3 1 1 A 13 13 TYR CA C 13 57.652 57.225 0.427 1
1 65 . 3 1 1 A 13 13 TYR HA H 13 4.640 4.796 -0.156 1
1 66 . 3 1 1 A 13 13 TYR CB C 13 38.399 38.649 -0.250 1
1 77 . 3 1 1 A 13 13 TYR C C 13 174.480 174.976 -0.496 1
1 78 . 3 1 1 A 14 14 LYS N N 14 123.448 121.144 2.304 1
1 79 . 3 1 1 A 14 14 LYS H H 14 8.515 7.708 0.807 1
1 80 . 3 1 1 A 14 14 LYS CA C 14 54.743 54.444 0.299 1
1 81 . 3 1 1 A 14 14 LYS HA H 14 5.139 4.900 0.239 1
1 82 . 3 1 1 A 14 14 LYS CB C 14 35.330 34.295 1.035 1
1 94 . 3 1 1 A 14 14 LYS C C 14 175.781 175.629 0.152 1
1 95 . 3 1 1 A 15 15 CYS N N 15 126.149 121.102 5.047 1
1 96 . 3 1 1 A 15 15 CYS H H 15 9.206 8.957 0.249 1
1 97 . 3 1 1 A 15 15 CYS CA C 15 59.419 59.692 -0.273 1
1 98 . 3 1 1 A 15 15 CYS HA H 15 4.452 4.701 -0.249 1
1 99 . 3 1 1 A 15 15 CYS CB C 15 30.193 28.779 1.414 1
1 102 . 3 1 1 A 15 15 CYS C C 15 177.815 175.710 2.105 1
1 103 . 3 1 1 A 16 16 MET N N 16 130.364 127.287 3.077 1
1 104 . 3 1 1 A 16 16 MET H H 16 9.109 9.261 -0.152 1
1 105 . 3 1 1 A 16 16 MET CA C 16 57.294 57.369 -0.075 1
1 106 . 3 1 1 A 16 16 MET HA H 16 4.344 4.396 -0.052 1
1 107 . 3 1 1 A 16 16 MET CB C 16 32.125 32.771 -0.646 1
1 117 . 3 1 1 A 16 16 MET C C 16 176.516 177.960 -1.444 1
1 118 . 3 1 1 A 17 17 GLU N N 17 121.077 119.041 2.036 1
1 119 . 3 1 1 A 17 17 GLU H H 17 8.854 8.330 0.524 1
1 120 . 3 1 1 A 17 17 GLU CA C 17 58.171 59.227 -1.056 1
1 121 . 3 1 1 A 17 17 GLU HA H 17 4.262 4.001 0.261 1
1 122 . 3 1 1 A 17 17 GLU CB C 17 29.895 29.312 0.583 1
1 128 . 3 1 1 A 17 17 GLU C C 17 177.191 177.980 -0.789 1
1 129 . 3 1 1 A 18 18 CYS N N 18 115.700 115.488 0.212 1
1 130 . 3 1 1 A 18 18 CYS H H 18 8.241 7.501 0.740 1
1 131 . 3 1 1 A 18 18 CYS CA C 18 58.418 59.665 -1.247 1
1 132 . 3 1 1 A 18 18 CYS HA H 18 5.154 4.694 0.460 1
1 133 . 3 1 1 A 18 18 CYS CB C 18 32.494 30.151 2.343 1
1 136 . 3 1 1 A 18 18 CYS C C 18 176.450 175.792 0.658 1
1 137 . 3 1 1 A 19 19 GLY N N 19 113.303 109.524 3.779 1
1 138 . 3 1 1 A 19 19 GLY H H 19 8.052 8.422 -0.370 1
1 139 . 3 1 1 A 19 19 GLY CA C 19 46.231 45.416 0.815 1
1 140 . 3 1 1 A 19 19 GLY HA2 H 19 3.797 4.067 -0.270 1
1 141 . 3 1 1 A 19 19 GLY HA3 H 19 4.246 4.103 0.143 1
1 142 . 3 1 1 A 19 19 GLY C C 19 173.412 173.208 0.204 1
1 143 . 3 1 1 A 20 20 LYS N N 20 123.674 125.529 -1.855 1
1 144 . 3 1 1 A 20 20 LYS H H 20 8.067 8.257 -0.190 1
1 145 . 3 1 1 A 20 20 LYS CA C 20 58.381 54.819 3.562 1
1 146 . 3 1 1 A 20 20 LYS HA H 20 3.928 4.758 -0.830 1
1 147 . 3 1 1 A 20 20 LYS CB C 20 33.713 35.947 -2.234 1
1 159 . 3 1 1 A 20 20 LYS C C 20 173.631 173.991 -0.360 1
1 160 . 3 1 1 A 21 21 ALA N N 21 125.402 126.171 -0.769 1
1 161 . 3 1 1 A 21 21 ALA H H 21 7.887 8.336 -0.449 1
1 162 . 3 1 1 A 21 21 ALA CA C 21 50.759 51.475 -0.716 1
1 163 . 3 1 1 A 21 21 ALA HA H 21 5.081 4.530 0.551 1
1 164 . 3 1 1 A 21 21 ALA CB C 21 21.883 20.156 1.727 1
1 168 . 3 1 1 A 21 21 ALA C C 21 176.527 176.423 0.104 1
1 169 . 3 1 1 A 22 22 PHE N N 22 117.170 116.475 0.695 1
1 170 . 3 1 1 A 22 22 PHE H H 22 8.990 8.633 0.357 1
1 171 . 3 1 1 A 22 22 PHE CA C 22 57.350 56.630 0.720 1
1 172 . 3 1 1 A 22 22 PHE HA H 22 4.659 4.786 -0.127 1
1 173 . 3 1 1 A 22 22 PHE CB C 22 44.390 43.110 1.280 1
1 186 . 3 1 1 A 22 22 PHE C C 22 175.725 175.700 0.025 1
1 187 . 3 1 1 A 23 23 GLY N N 23 107.188 111.507 -4.319 1
1 188 . 3 1 1 A 23 23 GLY H H 23 9.268 8.747 0.521 1
1 189 . 3 1 1 A 23 23 GLY CA C 23 46.079 46.639 -0.560 1
1 190 . 3 1 1 A 23 23 GLY HA2 H 23 4.077 3.828 0.249 1
1 191 . 3 1 1 A 23 23 GLY HA3 H 23 4.414 3.851 0.563 1
1 192 . 3 1 1 A 23 23 GLY C C 23 172.890 173.691 -0.801 1
1 193 . 3 1 1 A 24 24 ASP N N 24 114.453 120.657 -6.204 1
1 194 . 3 1 1 A 24 24 ASP H H 24 7.507 7.942 -0.435 1
1 195 . 3 1 1 A 24 24 ASP CA C 24 52.483 52.345 0.138 1
1 196 . 3 1 1 A 24 24 ASP HA H 24 4.760 4.937 -0.177 1
1 197 . 3 1 1 A 24 24 ASP CB C 24 43.786 43.522 0.264 1
1 200 . 3 1 1 A 24 24 ASP C C 24 174.172 175.442 -1.270 1
1 201 . 3 1 1 A 25 25 ASN N N 25 119.702 123.225 -3.523 1
1 202 . 3 1 1 A 25 25 ASN H H 25 8.385 8.935 -0.550 1
1 203 . 3 1 1 A 25 25 ASN CA C 25 55.536 56.093 -0.557 1
1 204 . 3 1 1 A 25 25 ASN HA H 25 3.715 4.348 -0.633 1
1 205 . 3 1 1 A 25 25 ASN CB C 25 38.986 38.852 0.134 1
1 211 . 3 1 1 A 25 25 ASN C C 25 177.693 177.478 0.215 1
1 212 . 3 1 1 A 26 26 SER CA C 26 61.855 61.391 0.464 1
1 213 . 3 1 1 A 26 26 SER HA H 26 4.021 4.162 -0.141 1
1 214 . 3 1 1 A 26 26 SER CB C 26 62.050 62.590 -0.540 1
1 217 . 3 1 1 A 26 26 SER C C 26 177.134 176.795 0.339 1
1 218 . 3 1 1 A 27 27 SER N N 27 118.698 115.312 3.386 1
1 219 . 3 1 1 A 27 27 SER H H 27 8.647 8.522 0.125 1
1 220 . 3 1 1 A 27 27 SER CA C 27 61.907 61.387 0.520 1
1 221 . 3 1 1 A 27 27 SER HA H 27 4.100 4.199 -0.099 1
1 222 . 3 1 1 A 27 27 SER CB C 27 62.115 62.513 -0.398 1
1 225 . 3 1 1 A 27 27 SER C C 27 176.423 176.651 -0.228 1
1 226 . 3 1 1 A 28 28 CYS N N 28 122.742 120.695 2.047 1
1 227 . 3 1 1 A 28 28 CYS H H 28 6.956 7.856 -0.900 1
1 228 . 3 1 1 A 28 28 CYS CA C 28 61.820 62.260 -0.440 1
1 229 . 3 1 1 A 28 28 CYS HA H 28 2.705 3.241 -0.536 1
1 230 . 3 1 1 A 28 28 CYS CB C 28 26.539 26.220 0.319 1
1 233 . 3 1 1 A 28 28 CYS C C 28 175.832 177.305 -1.473 1
1 234 . 3 1 1 A 29 29 THR N N 29 115.897 115.605 0.292 1
1 235 . 3 1 1 A 29 29 THR H H 29 8.427 7.782 0.645 1
1 236 . 3 1 1 A 29 29 THR CA C 29 66.778 65.814 0.964 1
1 237 . 3 1 1 A 29 29 THR HA H 29 3.884 4.193 -0.309 1
1 238 . 3 1 1 A 29 29 THR CB C 29 68.701 68.511 0.190 1
1 244 . 3 1 1 A 29 29 THR C C 29 177.027 176.066 0.961 1
1 245 . 3 1 1 A 30 30 GLN N N 30 120.743 120.821 -0.078 1
1 246 . 3 1 1 A 30 30 GLN H H 30 8.083 7.627 0.456 1
1 247 . 3 1 1 A 30 30 GLN CA C 30 58.996 58.531 0.465 1
1 248 . 3 1 1 A 30 30 GLN HA H 30 3.908 3.975 -0.067 1
1 249 . 3 1 1 A 30 30 GLN CB C 30 28.430 28.352 0.078 1
1 255 . 3 1 1 A 30 30 GLN C C 30 178.340 178.105 0.235 1
1 256 . 3 1 1 A 31 31 HIS N N 31 118.530 119.547 -1.017 1
1 257 . 3 1 1 A 31 31 HIS H H 31 7.436 8.311 -0.875 1
1 258 . 3 1 1 A 31 31 HIS CA C 31 59.161 59.716 -0.555 1
1 259 . 3 1 1 A 31 31 HIS HA H 31 4.186 4.226 -0.040 1
1 260 . 3 1 1 A 31 31 HIS CB C 31 28.230 29.944 -1.714 1
1 267 . 3 1 1 A 31 31 HIS C C 31 176.587 177.039 -0.452 1
1 268 . 3 1 1 A 32 32 GLN N N 32 117.813 117.125 0.688 1
1 269 . 3 1 1 A 32 32 GLN H H 32 8.384 8.004 0.380 1
1 270 . 3 1 1 A 32 32 GLN CA C 32 59.325 58.240 1.085 1
1 271 . 3 1 1 A 32 32 GLN HA H 32 3.895 3.865 0.030 1
1 272 . 3 1 1 A 32 32 GLN CB C 32 28.890 27.856 1.034 1
1 281 . 3 1 1 A 32 32 GLN C C 32 178.421 177.572 0.849 1
1 282 . 3 1 1 A 33 33 ARG N N 33 117.148 118.865 -1.717 1
1 283 . 3 1 1 A 33 33 ARG H H 33 7.394 7.882 -0.488 1
1 284 . 3 1 1 A 33 33 ARG CA C 33 58.234 58.719 -0.485 1
1 285 . 3 1 1 A 33 33 ARG HA H 33 4.123 4.103 0.020 1
1 286 . 3 1 1 A 33 33 ARG CB C 33 29.993 30.090 -0.097 1
1 295 . 3 1 1 A 33 33 ARG C C 33 177.784 178.566 -0.782 1
1 296 . 3 1 1 A 34 34 LEU N N 34 118.313 119.832 -1.519 1
1 297 . 3 1 1 A 34 34 LEU H H 34 7.675 8.194 -0.519 1
1 298 . 3 1 1 A 34 34 LEU CA C 34 56.303 56.980 -0.677 1
1 299 . 3 1 1 A 34 34 LEU HA H 34 4.058 4.071 -0.013 1
1 300 . 3 1 1 A 34 34 LEU CB C 34 41.324 41.219 0.105 1
1 313 . 3 1 1 A 34 34 LEU C C 34 178.808 179.286 -0.478 1
1 314 . 3 1 1 A 35 35 HIS N N 35 115.638 117.914 -2.276 1
1 315 . 3 1 1 A 35 35 HIS H H 35 7.266 7.332 -0.066 1
1 316 . 3 1 1 A 35 35 HIS CA C 35 56.022 59.911 -3.889 1
1 317 . 3 1 1 A 35 35 HIS HA H 35 4.712 4.195 0.517 1
1 318 . 3 1 1 A 35 35 HIS CB C 35 28.540 29.974 -1.434 1
1 325 . 3 1 1 A 35 35 HIS C C 35 175.711 177.034 -1.323 1
1 326 . 3 1 1 A 36 36 THR N N 36 112.637 114.317 -1.680 1
1 327 . 3 1 1 A 36 36 THR H H 36 7.882 7.811 0.071 1
1 328 . 3 1 1 A 36 36 THR CA C 36 62.455 65.099 -2.644 1
1 329 . 3 1 1 A 36 36 THR HA H 36 4.359 4.237 0.122 1
1 330 . 3 1 1 A 36 36 THR CB C 36 69.921 69.738 0.183 1
1 336 . 3 1 1 A 36 36 THR C C 36 175.355 176.632 -1.277 1
1 337 . 3 1 1 A 37 37 GLY N N 37 110.846 108.504 2.342 1
1 338 . 3 1 1 A 37 37 GLY H H 37 8.350 8.844 -0.494 1
1 339 . 3 1 1 A 37 37 GLY CA C 37 45.411 47.266 -1.855 1
1 340 . 3 1 1 A 37 37 GLY HA2 H 37 4.005 3.770 0.235 1
1 341 . 3 1 1 A 37 37 GLY HA3 H 37 4.005 3.776 0.229 1
1 342 . 3 1 1 A 37 37 GLY C C 37 174.062 175.126 -1.064 1
1 343 . 3 1 1 A 38 38 GLN N N 38 119.605 118.899 0.706 1
1 344 . 3 1 1 A 38 38 GLN H H 38 8.139 8.199 -0.060 1
1 345 . 3 1 1 A 38 38 GLN CA C 38 55.660 56.923 -1.263 1
1 346 . 3 1 1 A 38 38 GLN HA H 38 4.330 3.936 0.394 1
1 347 . 3 1 1 A 38 38 GLN CB C 38 29.565 27.519 2.046 1
1 353 . 3 1 1 A 38 38 GLN C C 38 175.790 174.712 1.078 1
1 354 . 3 1 1 A 39 39 ARG N N 39 123.670 118.910 4.760 1
1 355 . 3 1 1 A 39 39 ARG H H 39 8.405 7.694 0.711 1
1 356 . 3 1 1 A 39 39 ARG CA C 39 54.074 53.621 0.453 1
1 357 . 3 1 1 A 39 39 ARG HA H 39 4.624 4.773 -0.149 1
1 358 . 3 1 1 A 39 39 ARG CB C 39 30.193 31.293 -1.100 1
1 367 . 3 1 1 A 39 39 ARG C C 39 174.276 173.394 0.882 1
1 368 . 3 1 1 A 40 40 PRO CA C 40 63.263 62.758 0.505 1
1 369 . 3 1 1 A 40 40 PRO HA H 40 4.475 4.491 -0.016 1
1 370 . 3 1 1 A 40 40 PRO CB C 40 32.130 32.002 0.128 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.411 45.613 -0.202 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.041 4.214 -0.173 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.041 4.214 -0.173 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.569 174.000 0.569 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.805 115.121 -2.316 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.148 8.415 -0.267 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.937 61.004 0.933 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.368 5.003 -0.635 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.797 70.020 -0.223 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.281 174.103 1.178 1
1 16 . 4 1 1 A 9 9 GLY N N 9 111.033 113.092 -2.059 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.450 8.370 0.080 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.415 44.042 1.373 1
1 19 . 4 1 1 A 9 9 GLY HA2 H 9 3.959 4.118 -0.159 1
1 20 . 4 1 1 A 9 9 GLY HA3 H 9 3.959 4.121 -0.162 1
1 21 . 4 1 1 A 9 9 GLY C C 9 174.015 172.932 1.083 1
1 22 . 4 1 1 A 10 10 GLU N N 10 120.268 117.718 2.550 1
1 23 . 4 1 1 A 10 10 GLU H H 10 8.220 8.435 -0.215 1
1 24 . 4 1 1 A 10 10 GLU CA C 10 56.694 55.281 1.413 1
1 25 . 4 1 1 A 10 10 GLU HA H 10 4.210 5.168 -0.958 1
1 26 . 4 1 1 A 10 10 GLU CB C 10 30.530 31.155 -0.625 1
1 32 . 4 1 1 A 10 10 GLU C C 10 176.497 175.073 1.424 1
1 33 . 4 1 1 A 11 11 LYS N N 11 122.135 125.019 -2.884 1
1 34 . 4 1 1 A 11 11 LYS H H 11 8.387 8.730 -0.343 1
1 35 . 4 1 1 A 11 11 LYS CA C 11 53.918 53.630 0.288 1
1 36 . 4 1 1 A 11 11 LYS HA H 11 4.555 4.943 -0.388 1
1 37 . 4 1 1 A 11 11 LYS CB C 11 33.223 33.292 -0.069 1
1 49 . 4 1 1 A 11 11 LYS C C 11 174.096 175.147 -1.051 1
1 50 . 4 1 1 A 12 12 PRO CA C 12 63.645 65.161 -1.516 1
1 51 . 4 1 1 A 12 12 PRO HA H 12 4.298 4.436 -0.138 1
1 52 . 4 1 1 A 12 12 PRO CB C 12 32.332 31.756 0.576 1
1 61 . 4 1 1 A 12 12 PRO C C 12 176.462 177.287 -0.825 1
1 62 . 4 1 1 A 13 13 TYR N N 13 118.803 114.964 3.839 1
1 63 . 4 1 1 A 13 13 TYR H H 13 7.796 8.176 -0.380 1
1 64 . 4 1 1 A 13 13 TYR CA C 13 57.652 57.370 0.282 1
1 65 . 4 1 1 A 13 13 TYR HA H 13 4.640 4.845 -0.205 1
1 66 . 4 1 1 A 13 13 TYR CB C 13 38.399 39.235 -0.836 1
1 77 . 4 1 1 A 13 13 TYR C C 13 174.480 174.608 -0.128 1
1 78 . 4 1 1 A 14 14 LYS N N 14 123.448 121.832 1.616 1
1 79 . 4 1 1 A 14 14 LYS H H 14 8.515 7.276 1.239 1
1 80 . 4 1 1 A 14 14 LYS CA C 14 54.743 54.627 0.116 1
1 81 . 4 1 1 A 14 14 LYS HA H 14 5.139 5.010 0.129 1
1 82 . 4 1 1 A 14 14 LYS CB C 14 35.330 35.237 0.093 1
1 94 . 4 1 1 A 14 14 LYS C C 14 175.781 175.152 0.629 1
1 95 . 4 1 1 A 15 15 CYS N N 15 126.149 125.527 0.622 1
1 96 . 4 1 1 A 15 15 CYS H H 15 9.206 8.474 0.732 1
1 97 . 4 1 1 A 15 15 CYS CA C 15 59.419 60.012 -0.593 1
1 98 . 4 1 1 A 15 15 CYS HA H 15 4.452 4.466 -0.014 1
1 99 . 4 1 1 A 15 15 CYS CB C 15 30.193 28.671 1.522 1
1 102 . 4 1 1 A 15 15 CYS C C 15 177.815 175.279 2.536 1
1 103 . 4 1 1 A 16 16 MET N N 16 130.364 126.041 4.323 1
1 104 . 4 1 1 A 16 16 MET H H 16 9.109 9.012 0.097 1
1 105 . 4 1 1 A 16 16 MET CA C 16 57.294 57.413 -0.119 1
1 106 . 4 1 1 A 16 16 MET HA H 16 4.344 4.408 -0.064 1
1 107 . 4 1 1 A 16 16 MET CB C 16 32.125 32.813 -0.688 1
1 117 . 4 1 1 A 16 16 MET C C 16 176.516 178.171 -1.655 1
1 118 . 4 1 1 A 17 17 GLU N N 17 121.077 118.791 2.286 1
1 119 . 4 1 1 A 17 17 GLU H H 17 8.854 8.260 0.594 1
1 120 . 4 1 1 A 17 17 GLU CA C 17 58.171 59.434 -1.263 1
1 121 . 4 1 1 A 17 17 GLU HA H 17 4.262 3.983 0.279 1
1 122 . 4 1 1 A 17 17 GLU CB C 17 29.895 29.402 0.493 1
1 128 . 4 1 1 A 17 17 GLU C C 17 177.191 178.101 -0.910 1
1 129 . 4 1 1 A 18 18 CYS N N 18 115.700 115.441 0.259 1
1 130 . 4 1 1 A 18 18 CYS H H 18 8.241 7.544 0.697 1
1 131 . 4 1 1 A 18 18 CYS CA C 18 58.418 59.664 -1.246 1
1 132 . 4 1 1 A 18 18 CYS HA H 18 5.154 4.625 0.529 1
1 133 . 4 1 1 A 18 18 CYS CB C 18 32.494 30.092 2.402 1
1 136 . 4 1 1 A 18 18 CYS C C 18 176.450 175.521 0.929 1
1 137 . 4 1 1 A 19 19 GLY N N 19 113.303 109.574 3.729 1
1 138 . 4 1 1 A 19 19 GLY H H 19 8.052 8.232 -0.180 1
1 139 . 4 1 1 A 19 19 GLY CA C 19 46.231 44.801 1.430 1
1 140 . 4 1 1 A 19 19 GLY HA2 H 19 3.797 4.046 -0.249 1
1 141 . 4 1 1 A 19 19 GLY HA3 H 19 4.246 4.068 0.178 1
1 142 . 4 1 1 A 19 19 GLY C C 19 173.412 172.769 0.643 1
1 143 . 4 1 1 A 20 20 LYS N N 20 123.674 125.366 -1.692 1
1 144 . 4 1 1 A 20 20 LYS H H 20 8.067 8.345 -0.278 1
1 145 . 4 1 1 A 20 20 LYS CA C 20 58.381 55.035 3.346 1
1 146 . 4 1 1 A 20 20 LYS HA H 20 3.928 4.764 -0.836 1
1 147 . 4 1 1 A 20 20 LYS CB C 20 33.713 36.292 -2.579 1
1 159 . 4 1 1 A 20 20 LYS C C 20 173.631 173.561 0.070 1
1 160 . 4 1 1 A 21 21 ALA N N 21 125.402 125.430 -0.028 1
1 161 . 4 1 1 A 21 21 ALA H H 21 7.887 8.333 -0.446 1
1 162 . 4 1 1 A 21 21 ALA CA C 21 50.759 49.739 1.020 1
1 163 . 4 1 1 A 21 21 ALA HA H 21 5.081 5.405 -0.324 1
1 164 . 4 1 1 A 21 21 ALA CB C 21 21.883 22.620 -0.737 1
1 168 . 4 1 1 A 21 21 ALA C C 21 176.527 176.043 0.484 1
1 169 . 4 1 1 A 22 22 PHE N N 22 117.170 117.563 -0.393 1
1 170 . 4 1 1 A 22 22 PHE H H 22 8.990 8.902 0.088 1
1 171 . 4 1 1 A 22 22 PHE CA C 22 57.350 56.594 0.756 1
1 172 . 4 1 1 A 22 22 PHE HA H 22 4.659 5.070 -0.411 1
1 173 . 4 1 1 A 22 22 PHE CB C 22 44.390 43.791 0.599 1
1 186 . 4 1 1 A 22 22 PHE C C 22 175.725 175.441 0.284 1
1 187 . 4 1 1 A 23 23 GLY N N 23 107.188 110.987 -3.799 1
1 188 . 4 1 1 A 23 23 GLY H H 23 9.268 8.477 0.791 1
1 189 . 4 1 1 A 23 23 GLY CA C 23 46.079 45.981 0.098 1
1 190 . 4 1 1 A 23 23 GLY HA2 H 23 4.077 4.062 0.015 1
1 191 . 4 1 1 A 23 23 GLY HA3 H 23 4.414 4.090 0.324 1
1 192 . 4 1 1 A 23 23 GLY C C 23 172.890 173.989 -1.099 1
1 193 . 4 1 1 A 24 24 ASP N N 24 114.453 119.973 -5.520 1
1 194 . 4 1 1 A 24 24 ASP H H 24 7.507 8.090 -0.583 1
1 195 . 4 1 1 A 24 24 ASP CA C 24 52.483 52.733 -0.250 1
1 196 . 4 1 1 A 24 24 ASP HA H 24 4.760 4.923 -0.163 1
1 197 . 4 1 1 A 24 24 ASP CB C 24 43.786 43.251 0.535 1
1 200 . 4 1 1 A 24 24 ASP C C 24 174.172 176.702 -2.530 1
1 201 . 4 1 1 A 25 25 ASN N N 25 119.702 125.034 -5.332 1
1 202 . 4 1 1 A 25 25 ASN H H 25 8.385 9.066 -0.681 1
1 203 . 4 1 1 A 25 25 ASN CA C 25 55.536 56.126 -0.590 1
1 204 . 4 1 1 A 25 25 ASN HA H 25 3.715 4.307 -0.592 1
1 205 . 4 1 1 A 25 25 ASN CB C 25 38.986 37.570 1.416 1
1 211 . 4 1 1 A 25 25 ASN C C 25 177.693 177.234 0.459 1
1 212 . 4 1 1 A 26 26 SER CA C 26 61.855 61.645 0.210 1
1 213 . 4 1 1 A 26 26 SER HA H 26 4.021 4.070 -0.049 1
1 214 . 4 1 1 A 26 26 SER CB C 26 62.050 63.203 -1.153 1
1 217 . 4 1 1 A 26 26 SER C C 26 177.134 176.765 0.369 1
1 218 . 4 1 1 A 27 27 SER N N 27 118.698 115.275 3.423 1
1 219 . 4 1 1 A 27 27 SER H H 27 8.647 8.453 0.194 1
1 220 . 4 1 1 A 27 27 SER CA C 27 61.907 61.460 0.447 1
1 221 . 4 1 1 A 27 27 SER HA H 27 4.100 4.167 -0.067 1
1 222 . 4 1 1 A 27 27 SER CB C 27 62.115 62.500 -0.385 1
1 225 . 4 1 1 A 27 27 SER C C 27 176.423 176.317 0.106 1
1 226 . 4 1 1 A 28 28 CYS N N 28 122.742 120.062 2.680 1
1 227 . 4 1 1 A 28 28 CYS H H 28 6.956 7.593 -0.637 1
1 228 . 4 1 1 A 28 28 CYS CA C 28 61.820 62.469 -0.649 1
1 229 . 4 1 1 A 28 28 CYS HA H 28 2.705 3.024 -0.319 1
1 230 . 4 1 1 A 28 28 CYS CB C 28 26.539 26.692 -0.153 1
1 233 . 4 1 1 A 28 28 CYS C C 28 175.832 176.974 -1.142 1
1 234 . 4 1 1 A 29 29 THR N N 29 115.897 113.857 2.040 1
1 235 . 4 1 1 A 29 29 THR H H 29 8.427 8.006 0.421 1
1 236 . 4 1 1 A 29 29 THR CA C 29 66.778 65.904 0.874 1
1 237 . 4 1 1 A 29 29 THR HA H 29 3.884 3.926 -0.042 1
1 238 . 4 1 1 A 29 29 THR CB C 29 68.701 68.393 0.308 1
1 244 . 4 1 1 A 29 29 THR C C 29 177.027 176.504 0.523 1
1 245 . 4 1 1 A 30 30 GLN N N 30 120.743 121.504 -0.761 1
1 246 . 4 1 1 A 30 30 GLN H H 30 8.083 8.098 -0.015 1
1 247 . 4 1 1 A 30 30 GLN CA C 30 58.996 58.878 0.118 1
1 248 . 4 1 1 A 30 30 GLN HA H 30 3.908 3.950 -0.042 1
1 249 . 4 1 1 A 30 30 GLN CB C 30 28.430 28.545 -0.115 1
1 255 . 4 1 1 A 30 30 GLN C C 30 178.340 177.843 0.497 1
1 256 . 4 1 1 A 31 31 HIS N N 31 118.530 119.886 -1.356 1
1 257 . 4 1 1 A 31 31 HIS H H 31 7.436 8.103 -0.667 1
1 258 . 4 1 1 A 31 31 HIS CA C 31 59.161 59.833 -0.672 1
1 259 . 4 1 1 A 31 31 HIS HA H 31 4.186 4.075 0.111 1
1 260 . 4 1 1 A 31 31 HIS CB C 31 28.230 29.869 -1.639 1
1 267 . 4 1 1 A 31 31 HIS C C 31 176.587 176.959 -0.372 1
1 268 . 4 1 1 A 32 32 GLN N N 32 117.813 118.215 -0.402 1
1 269 . 4 1 1 A 32 32 GLN H H 32 8.384 7.811 0.573 1
1 270 . 4 1 1 A 32 32 GLN CA C 32 59.325 58.713 0.612 1
1 271 . 4 1 1 A 32 32 GLN HA H 32 3.895 3.773 0.122 1
1 272 . 4 1 1 A 32 32 GLN CB C 32 28.890 28.409 0.481 1
1 281 . 4 1 1 A 32 32 GLN C C 32 178.421 178.016 0.405 1
1 282 . 4 1 1 A 33 33 ARG N N 33 117.148 120.060 -2.912 1
1 283 . 4 1 1 A 33 33 ARG H H 33 7.394 7.854 -0.460 1
1 284 . 4 1 1 A 33 33 ARG CA C 33 58.234 59.154 -0.920 1
1 285 . 4 1 1 A 33 33 ARG HA H 33 4.123 4.056 0.067 1
1 286 . 4 1 1 A 33 33 ARG CB C 33 29.993 29.941 0.052 1
1 295 . 4 1 1 A 33 33 ARG C C 33 177.784 178.387 -0.603 1
1 296 . 4 1 1 A 34 34 LEU N N 34 118.313 118.551 -0.238 1
1 297 . 4 1 1 A 34 34 LEU H H 34 7.675 7.776 -0.101 1
1 298 . 4 1 1 A 34 34 LEU CA C 34 56.303 57.757 -1.454 1
1 299 . 4 1 1 A 34 34 LEU HA H 34 4.058 4.008 0.050 1
1 300 . 4 1 1 A 34 34 LEU CB C 34 41.324 41.539 -0.215 1
1 313 . 4 1 1 A 34 34 LEU C C 34 178.808 178.651 0.157 1
1 314 . 4 1 1 A 35 35 HIS N N 35 115.638 118.210 -2.572 1
1 315 . 4 1 1 A 35 35 HIS H H 35 7.266 7.372 -0.106 1
1 316 . 4 1 1 A 35 35 HIS CA C 35 56.022 59.368 -3.346 1
1 317 . 4 1 1 A 35 35 HIS HA H 35 4.712 4.261 0.451 1
1 318 . 4 1 1 A 35 35 HIS CB C 35 28.540 29.483 -0.943 1
1 325 . 4 1 1 A 35 35 HIS C C 35 175.711 176.058 -0.347 1
1 326 . 4 1 1 A 36 36 THR N N 36 112.637 114.079 -1.442 1
1 327 . 4 1 1 A 36 36 THR H H 36 7.882 7.872 0.010 1
1 328 . 4 1 1 A 36 36 THR CA C 36 62.455 64.341 -1.886 1
1 329 . 4 1 1 A 36 36 THR HA H 36 4.359 4.117 0.242 1
1 330 . 4 1 1 A 36 36 THR CB C 36 69.921 69.106 0.815 1
1 336 . 4 1 1 A 36 36 THR C C 36 175.355 175.061 0.294 1
1 337 . 4 1 1 A 37 37 GLY N N 37 110.846 113.576 -2.730 1
1 338 . 4 1 1 A 37 37 GLY H H 37 8.350 8.689 -0.339 1
1 339 . 4 1 1 A 37 37 GLY CA C 37 45.411 46.521 -1.110 1
1 340 . 4 1 1 A 37 37 GLY HA2 H 37 4.005 3.966 0.039 1
1 341 . 4 1 1 A 37 37 GLY HA3 H 37 4.005 3.973 0.032 1
1 342 . 4 1 1 A 37 37 GLY C C 37 174.062 173.371 0.691 1
1 343 . 4 1 1 A 38 38 GLN N N 38 119.605 126.064 -6.459 1
1 344 . 4 1 1 A 38 38 GLN H H 38 8.139 8.618 -0.479 1
1 345 . 4 1 1 A 38 38 GLN CA C 38 55.660 54.516 1.144 1
1 346 . 4 1 1 A 38 38 GLN HA H 38 4.330 4.695 -0.365 1
1 347 . 4 1 1 A 38 38 GLN CB C 38 29.565 29.549 0.016 1
1 353 . 4 1 1 A 38 38 GLN C C 38 175.790 174.320 1.470 1
1 354 . 4 1 1 A 39 39 ARG N N 39 123.670 117.919 5.751 1
1 355 . 4 1 1 A 39 39 ARG H H 39 8.405 7.452 0.953 1
1 356 . 4 1 1 A 39 39 ARG CA C 39 54.074 54.670 -0.596 1
1 357 . 4 1 1 A 39 39 ARG HA H 39 4.624 4.819 -0.195 1
1 358 . 4 1 1 A 39 39 ARG CB C 39 30.193 32.465 -2.272 1
1 367 . 4 1 1 A 39 39 ARG C C 39 174.276 175.843 -1.567 1
1 368 . 4 1 1 A 40 40 PRO CA C 40 63.263 65.009 -1.746 1
1 369 . 4 1 1 A 40 40 PRO HA H 40 4.475 4.338 0.137 1
1 370 . 4 1 1 A 40 40 PRO CB C 40 32.130 32.053 0.077 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.411 44.922 0.489 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.041 4.178 -0.137 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.041 4.179 -0.138 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.569 172.399 2.170 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.805 115.907 -3.102 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.148 8.604 -0.456 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.937 60.026 1.911 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.368 4.970 -0.602 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.797 70.836 -1.039 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.281 174.049 1.232 1
1 16 . 5 1 1 A 9 9 GLY N N 9 111.033 112.958 -1.925 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.450 8.793 -0.343 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.415 46.967 -1.552 1
1 19 . 5 1 1 A 9 9 GLY HA2 H 9 3.959 3.836 0.123 1
1 20 . 5 1 1 A 9 9 GLY HA3 H 9 3.959 3.840 0.119 1
1 21 . 5 1 1 A 9 9 GLY C C 9 174.015 174.027 -0.012 1
1 22 . 5 1 1 A 10 10 GLU N N 10 120.268 121.453 -1.185 1
1 23 . 5 1 1 A 10 10 GLU H H 10 8.220 8.022 0.198 1
1 24 . 5 1 1 A 10 10 GLU CA C 10 56.694 55.275 1.419 1
1 25 . 5 1 1 A 10 10 GLU HA H 10 4.210 4.895 -0.685 1
1 26 . 5 1 1 A 10 10 GLU CB C 10 30.530 31.568 -1.038 1
1 32 . 5 1 1 A 10 10 GLU C C 10 176.497 175.497 1.000 1
1 33 . 5 1 1 A 11 11 LYS N N 11 122.135 125.325 -3.190 1
1 34 . 5 1 1 A 11 11 LYS H H 11 8.387 8.615 -0.228 1
1 35 . 5 1 1 A 11 11 LYS CA C 11 53.918 54.245 -0.327 1
1 36 . 5 1 1 A 11 11 LYS HA H 11 4.555 4.611 -0.056 1
1 37 . 5 1 1 A 11 11 LYS CB C 11 33.223 35.380 -2.157 1
1 49 . 5 1 1 A 11 11 LYS C C 11 174.096 175.856 -1.760 1
1 50 . 5 1 1 A 12 12 PRO CA C 12 63.645 64.056 -0.411 1
1 51 . 5 1 1 A 12 12 PRO HA H 12 4.298 4.391 -0.093 1
1 52 . 5 1 1 A 12 12 PRO CB C 12 32.332 31.616 0.716 1
1 61 . 5 1 1 A 12 12 PRO C C 12 176.462 175.907 0.555 1
1 62 . 5 1 1 A 13 13 TYR N N 13 118.803 118.996 -0.193 1
1 63 . 5 1 1 A 13 13 TYR H H 13 7.796 7.437 0.359 1
1 64 . 5 1 1 A 13 13 TYR CA C 13 57.652 57.478 0.174 1
1 65 . 5 1 1 A 13 13 TYR HA H 13 4.640 4.709 -0.069 1
1 66 . 5 1 1 A 13 13 TYR CB C 13 38.399 36.014 2.385 1
1 77 . 5 1 1 A 13 13 TYR C C 13 174.480 174.950 -0.470 1
1 78 . 5 1 1 A 14 14 LYS N N 14 123.448 118.451 4.997 1
1 79 . 5 1 1 A 14 14 LYS H H 14 8.515 7.379 1.136 1
1 80 . 5 1 1 A 14 14 LYS CA C 14 54.743 54.236 0.507 1
1 81 . 5 1 1 A 14 14 LYS HA H 14 5.139 4.954 0.185 1
1 82 . 5 1 1 A 14 14 LYS CB C 14 35.330 35.874 -0.544 1
1 94 . 5 1 1 A 14 14 LYS C C 14 175.781 175.610 0.171 1
1 95 . 5 1 1 A 15 15 CYS N N 15 126.149 124.052 2.097 1
1 96 . 5 1 1 A 15 15 CYS H H 15 9.206 9.001 0.205 1
1 97 . 5 1 1 A 15 15 CYS CA C 15 59.419 60.181 -0.762 1
1 98 . 5 1 1 A 15 15 CYS HA H 15 4.452 4.427 0.025 1
1 99 . 5 1 1 A 15 15 CYS CB C 15 30.193 28.710 1.483 1
1 102 . 5 1 1 A 15 15 CYS C C 15 177.815 175.322 2.493 1
1 103 . 5 1 1 A 16 16 MET N N 16 130.364 126.295 4.069 1
1 104 . 5 1 1 A 16 16 MET H H 16 9.109 9.069 0.040 1
1 105 . 5 1 1 A 16 16 MET CA C 16 57.294 57.163 0.131 1
1 106 . 5 1 1 A 16 16 MET HA H 16 4.344 4.379 -0.035 1
1 107 . 5 1 1 A 16 16 MET CB C 16 32.125 33.033 -0.908 1
1 117 . 5 1 1 A 16 16 MET C C 16 176.516 178.112 -1.596 1
1 118 . 5 1 1 A 17 17 GLU N N 17 121.077 118.828 2.249 1
1 119 . 5 1 1 A 17 17 GLU H H 17 8.854 8.238 0.616 1
1 120 . 5 1 1 A 17 17 GLU CA C 17 58.171 59.247 -1.076 1
1 121 . 5 1 1 A 17 17 GLU HA H 17 4.262 3.963 0.299 1
1 122 . 5 1 1 A 17 17 GLU CB C 17 29.895 28.741 1.154 1
1 128 . 5 1 1 A 17 17 GLU C C 17 177.191 177.807 -0.616 1
1 129 . 5 1 1 A 18 18 CYS N N 18 115.700 114.499 1.201 1
1 130 . 5 1 1 A 18 18 CYS H H 18 8.241 7.322 0.919 1
1 131 . 5 1 1 A 18 18 CYS CA C 18 58.418 59.469 -1.051 1
1 132 . 5 1 1 A 18 18 CYS HA H 18 5.154 4.649 0.505 1
1 133 . 5 1 1 A 18 18 CYS CB C 18 32.494 30.070 2.424 1
1 136 . 5 1 1 A 18 18 CYS C C 18 176.450 175.676 0.774 1
1 137 . 5 1 1 A 19 19 GLY N N 19 113.303 109.567 3.736 1
1 138 . 5 1 1 A 19 19 GLY H H 19 8.052 8.205 -0.153 1
1 139 . 5 1 1 A 19 19 GLY CA C 19 46.231 45.003 1.228 1
1 140 . 5 1 1 A 19 19 GLY HA2 H 19 3.797 4.032 -0.235 1
1 141 . 5 1 1 A 19 19 GLY HA3 H 19 4.246 4.046 0.200 1
1 142 . 5 1 1 A 19 19 GLY C C 19 173.412 173.037 0.375 1
1 143 . 5 1 1 A 20 20 LYS N N 20 123.674 125.370 -1.696 1
1 144 . 5 1 1 A 20 20 LYS H H 20 8.067 8.378 -0.311 1
1 145 . 5 1 1 A 20 20 LYS CA C 20 58.381 55.149 3.232 1
1 146 . 5 1 1 A 20 20 LYS HA H 20 3.928 4.719 -0.791 1
1 147 . 5 1 1 A 20 20 LYS CB C 20 33.713 36.009 -2.296 1
1 159 . 5 1 1 A 20 20 LYS C C 20 173.631 174.105 -0.474 1
1 160 . 5 1 1 A 21 21 ALA N N 21 125.402 126.800 -1.398 1
1 161 . 5 1 1 A 21 21 ALA H H 21 7.887 8.470 -0.583 1
1 162 . 5 1 1 A 21 21 ALA CA C 21 50.759 51.589 -0.830 1
1 163 . 5 1 1 A 21 21 ALA HA H 21 5.081 4.691 0.390 1
1 164 . 5 1 1 A 21 21 ALA CB C 21 21.883 20.076 1.807 1
1 168 . 5 1 1 A 21 21 ALA C C 21 176.527 176.663 -0.136 1
1 169 . 5 1 1 A 22 22 PHE N N 22 117.170 117.152 0.018 1
1 170 . 5 1 1 A 22 22 PHE H H 22 8.990 8.693 0.297 1
1 171 . 5 1 1 A 22 22 PHE CA C 22 57.350 56.755 0.595 1
1 172 . 5 1 1 A 22 22 PHE HA H 22 4.659 5.001 -0.342 1
1 173 . 5 1 1 A 22 22 PHE CB C 22 44.390 44.116 0.274 1
1 186 . 5 1 1 A 22 22 PHE C C 22 175.725 175.999 -0.274 1
1 187 . 5 1 1 A 23 23 GLY N N 23 107.188 109.826 -2.638 1
1 188 . 5 1 1 A 23 23 GLY H H 23 9.268 8.753 0.515 1
1 189 . 5 1 1 A 23 23 GLY CA C 23 46.079 46.761 -0.682 1
1 190 . 5 1 1 A 23 23 GLY HA2 H 23 4.077 3.972 0.105 1
1 191 . 5 1 1 A 23 23 GLY HA3 H 23 4.414 3.974 0.440 1
1 192 . 5 1 1 A 23 23 GLY C C 23 172.890 173.487 -0.597 1
1 193 . 5 1 1 A 24 24 ASP N N 24 114.453 118.656 -4.203 1
1 194 . 5 1 1 A 24 24 ASP H H 24 7.507 7.903 -0.396 1
1 195 . 5 1 1 A 24 24 ASP CA C 24 52.483 53.148 -0.665 1
1 196 . 5 1 1 A 24 24 ASP HA H 24 4.760 4.907 -0.147 1
1 197 . 5 1 1 A 24 24 ASP CB C 24 43.786 42.574 1.212 1
1 200 . 5 1 1 A 24 24 ASP C C 24 174.172 176.241 -2.069 1
1 201 . 5 1 1 A 25 25 ASN N N 25 119.702 124.836 -5.134 1
1 202 . 5 1 1 A 25 25 ASN H H 25 8.385 9.033 -0.648 1
1 203 . 5 1 1 A 25 25 ASN CA C 25 55.536 57.212 -1.676 1
1 204 . 5 1 1 A 25 25 ASN HA H 25 3.715 4.318 -0.603 1
1 205 . 5 1 1 A 25 25 ASN CB C 25 38.986 38.658 0.328 1
1 211 . 5 1 1 A 25 25 ASN C C 25 177.693 177.082 0.611 1
1 212 . 5 1 1 A 26 26 SER CA C 26 61.855 61.932 -0.077 1
1 213 . 5 1 1 A 26 26 SER HA H 26 4.021 4.115 -0.094 1
1 214 . 5 1 1 A 26 26 SER CB C 26 62.050 62.670 -0.620 1
1 217 . 5 1 1 A 26 26 SER C C 26 177.134 176.942 0.192 1
1 218 . 5 1 1 A 27 27 SER N N 27 118.698 116.619 2.079 1
1 219 . 5 1 1 A 27 27 SER H H 27 8.647 7.832 0.815 1
1 220 . 5 1 1 A 27 27 SER CA C 27 61.907 61.330 0.577 1
1 221 . 5 1 1 A 27 27 SER HA H 27 4.100 4.029 0.071 1
1 222 . 5 1 1 A 27 27 SER CB C 27 62.115 62.736 -0.621 1
1 225 . 5 1 1 A 27 27 SER C C 27 176.423 175.919 0.504 1
1 226 . 5 1 1 A 28 28 CYS N N 28 122.742 120.722 2.020 1
1 227 . 5 1 1 A 28 28 CYS H H 28 6.956 7.843 -0.887 1
1 228 . 5 1 1 A 28 28 CYS CA C 28 61.820 62.530 -0.710 1
1 229 . 5 1 1 A 28 28 CYS HA H 28 2.705 3.127 -0.422 1
1 230 . 5 1 1 A 28 28 CYS CB C 28 26.539 26.704 -0.165 1
1 233 . 5 1 1 A 28 28 CYS C C 28 175.832 176.808 -0.976 1
1 234 . 5 1 1 A 29 29 THR N N 29 115.897 113.995 1.902 1
1 235 . 5 1 1 A 29 29 THR H H 29 8.427 8.034 0.393 1
1 236 . 5 1 1 A 29 29 THR CA C 29 66.778 65.887 0.891 1
1 237 . 5 1 1 A 29 29 THR HA H 29 3.884 4.001 -0.117 1
1 238 . 5 1 1 A 29 29 THR CB C 29 68.701 68.099 0.602 1
1 244 . 5 1 1 A 29 29 THR C C 29 177.027 176.246 0.781 1
1 245 . 5 1 1 A 30 30 GLN N N 30 120.743 120.986 -0.243 1
1 246 . 5 1 1 A 30 30 GLN H H 30 8.083 7.975 0.108 1
1 247 . 5 1 1 A 30 30 GLN CA C 30 58.996 59.062 -0.066 1
1 248 . 5 1 1 A 30 30 GLN HA H 30 3.908 3.940 -0.032 1
1 249 . 5 1 1 A 30 30 GLN CB C 30 28.430 28.549 -0.119 1
1 255 . 5 1 1 A 30 30 GLN C C 30 178.340 177.645 0.695 1
1 256 . 5 1 1 A 31 31 HIS N N 31 118.530 119.857 -1.327 1
1 257 . 5 1 1 A 31 31 HIS H H 31 7.436 7.767 -0.331 1
1 258 . 5 1 1 A 31 31 HIS CA C 31 59.161 59.803 -0.642 1
1 259 . 5 1 1 A 31 31 HIS HA H 31 4.186 4.055 0.131 1
1 260 . 5 1 1 A 31 31 HIS CB C 31 28.230 29.889 -1.659 1
1 267 . 5 1 1 A 31 31 HIS C C 31 176.587 177.049 -0.462 1
1 268 . 5 1 1 A 32 32 GLN N N 32 117.813 116.711 1.102 1
1 269 . 5 1 1 A 32 32 GLN H H 32 8.384 8.026 0.358 1
1 270 . 5 1 1 A 32 32 GLN CA C 32 59.325 58.955 0.370 1
1 271 . 5 1 1 A 32 32 GLN HA H 32 3.895 4.022 -0.127 1
1 272 . 5 1 1 A 32 32 GLN CB C 32 28.890 28.444 0.446 1
1 281 . 5 1 1 A 32 32 GLN C C 32 178.421 177.533 0.888 1
1 282 . 5 1 1 A 33 33 ARG N N 33 117.148 118.458 -1.310 1
1 283 . 5 1 1 A 33 33 ARG H H 33 7.394 8.316 -0.922 1
1 284 . 5 1 1 A 33 33 ARG CA C 33 58.234 59.005 -0.771 1
1 285 . 5 1 1 A 33 33 ARG HA H 33 4.123 4.195 -0.072 1
1 286 . 5 1 1 A 33 33 ARG CB C 33 29.993 29.988 0.005 1
1 295 . 5 1 1 A 33 33 ARG C C 33 177.784 178.498 -0.714 1
1 296 . 5 1 1 A 34 34 LEU N N 34 118.313 119.424 -1.111 1
1 297 . 5 1 1 A 34 34 LEU H H 34 7.675 7.869 -0.194 1
1 298 . 5 1 1 A 34 34 LEU CA C 34 56.303 57.577 -1.274 1
1 299 . 5 1 1 A 34 34 LEU HA H 34 4.058 3.779 0.279 1
1 300 . 5 1 1 A 34 34 LEU CB C 34 41.324 41.437 -0.113 1
1 313 . 5 1 1 A 34 34 LEU C C 34 178.808 179.236 -0.428 1
1 314 . 5 1 1 A 35 35 HIS N N 35 115.638 116.123 -0.485 1
1 315 . 5 1 1 A 35 35 HIS H H 35 7.266 7.095 0.171 1
1 316 . 5 1 1 A 35 35 HIS CA C 35 56.022 59.553 -3.531 1
1 317 . 5 1 1 A 35 35 HIS HA H 35 4.712 4.336 0.376 1
1 318 . 5 1 1 A 35 35 HIS CB C 35 28.540 30.864 -2.324 1
1 325 . 5 1 1 A 35 35 HIS C C 35 175.711 175.146 0.565 1
1 326 . 5 1 1 A 36 36 THR N N 36 112.637 111.173 1.464 1
1 327 . 5 1 1 A 36 36 THR H H 36 7.882 7.923 -0.041 1
1 328 . 5 1 1 A 36 36 THR CA C 36 62.455 60.508 1.947 1
1 329 . 5 1 1 A 36 36 THR HA H 36 4.359 4.528 -0.169 1
1 330 . 5 1 1 A 36 36 THR CB C 36 69.921 69.331 0.590 1
1 336 . 5 1 1 A 36 36 THR C C 36 175.355 174.030 1.325 1
1 337 . 5 1 1 A 37 37 GLY N N 37 110.846 112.310 -1.464 1
1 338 . 5 1 1 A 37 37 GLY H H 37 8.350 8.289 0.061 1
1 339 . 5 1 1 A 37 37 GLY CA C 37 45.411 45.917 -0.506 1
1 340 . 5 1 1 A 37 37 GLY HA2 H 37 4.005 4.103 -0.098 1
1 341 . 5 1 1 A 37 37 GLY HA3 H 37 4.005 4.114 -0.109 1
1 342 . 5 1 1 A 37 37 GLY C C 37 174.062 173.411 0.651 1
1 343 . 5 1 1 A 38 38 GLN N N 38 119.605 119.674 -0.069 1
1 344 . 5 1 1 A 38 38 GLN H H 38 8.139 9.086 -0.947 1
1 345 . 5 1 1 A 38 38 GLN CA C 38 55.660 56.678 -1.018 1
1 346 . 5 1 1 A 38 38 GLN HA H 38 4.330 3.955 0.375 1
1 347 . 5 1 1 A 38 38 GLN CB C 38 29.565 27.404 2.161 1
1 353 . 5 1 1 A 38 38 GLN C C 38 175.790 174.842 0.948 1
1 354 . 5 1 1 A 39 39 ARG N N 39 123.670 112.110 11.560 1
1 355 . 5 1 1 A 39 39 ARG H H 39 8.405 8.423 -0.018 1
1 356 . 5 1 1 A 39 39 ARG CA C 39 54.074 56.500 -2.426 1
1 357 . 5 1 1 A 39 39 ARG HA H 39 4.624 3.890 0.734 1
1 358 . 5 1 1 A 39 39 ARG CB C 39 30.193 27.929 2.264 1
1 367 . 5 1 1 A 39 39 ARG C C 39 174.276 175.295 -1.019 1
1 368 . 5 1 1 A 40 40 PRO CA C 40 63.263 62.351 0.912 1
1 369 . 5 1 1 A 40 40 PRO HA H 40 4.475 4.538 -0.063 1
1 370 . 5 1 1 A 40 40 PRO CB C 40 32.130 29.638 2.492 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.411 45.019 0.392 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.041 3.944 0.097 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.041 3.946 0.095 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.569 173.500 1.069 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.805 115.232 -2.427 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.148 8.406 -0.258 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.937 61.341 0.596 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.368 4.536 -0.168 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.797 68.022 1.775 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.281 174.171 1.110 1
1 16 . 6 1 1 A 9 9 GLY N N 9 111.033 112.955 -1.922 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.450 8.729 -0.279 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.415 44.811 0.604 1
1 19 . 6 1 1 A 9 9 GLY HA2 H 9 3.959 4.249 -0.290 1
1 20 . 6 1 1 A 9 9 GLY HA3 H 9 3.959 4.263 -0.304 1
1 21 . 6 1 1 A 9 9 GLY C C 9 174.015 174.683 -0.668 1
1 22 . 6 1 1 A 10 10 GLU N N 10 120.268 124.210 -3.942 1
1 23 . 6 1 1 A 10 10 GLU H H 10 8.220 8.672 -0.452 1
1 24 . 6 1 1 A 10 10 GLU CA C 10 56.694 58.460 -1.766 1
1 25 . 6 1 1 A 10 10 GLU HA H 10 4.210 4.162 0.048 1
1 26 . 6 1 1 A 10 10 GLU CB C 10 30.530 29.448 1.082 1
1 32 . 6 1 1 A 10 10 GLU C C 10 176.497 176.347 0.150 1
1 33 . 6 1 1 A 11 11 LYS N N 11 122.135 116.071 6.064 1
1 34 . 6 1 1 A 11 11 LYS H H 11 8.387 7.411 0.976 1
1 35 . 6 1 1 A 11 11 LYS CA C 11 53.918 54.733 -0.815 1
1 36 . 6 1 1 A 11 11 LYS HA H 11 4.555 4.615 -0.060 1
1 37 . 6 1 1 A 11 11 LYS CB C 11 33.223 34.188 -0.965 1
1 49 . 6 1 1 A 11 11 LYS C C 11 174.096 175.674 -1.578 1
1 50 . 6 1 1 A 12 12 PRO CA C 12 63.645 65.130 -1.485 1
1 51 . 6 1 1 A 12 12 PRO HA H 12 4.298 4.362 -0.064 1
1 52 . 6 1 1 A 12 12 PRO CB C 12 32.332 32.013 0.319 1
1 61 . 6 1 1 A 12 12 PRO C C 12 176.462 177.353 -0.891 1
1 62 . 6 1 1 A 13 13 TYR N N 13 118.803 115.348 3.455 1
1 63 . 6 1 1 A 13 13 TYR H H 13 7.796 8.340 -0.544 1
1 64 . 6 1 1 A 13 13 TYR CA C 13 57.652 57.535 0.117 1
1 65 . 6 1 1 A 13 13 TYR HA H 13 4.640 4.503 0.137 1
1 66 . 6 1 1 A 13 13 TYR CB C 13 38.399 37.796 0.603 1
1 77 . 6 1 1 A 13 13 TYR C C 13 174.480 174.652 -0.172 1
1 78 . 6 1 1 A 14 14 LYS N N 14 123.448 126.732 -3.284 1
1 79 . 6 1 1 A 14 14 LYS H H 14 8.515 8.471 0.044 1
1 80 . 6 1 1 A 14 14 LYS CA C 14 54.743 53.932 0.811 1
1 81 . 6 1 1 A 14 14 LYS HA H 14 5.139 4.860 0.279 1
1 82 . 6 1 1 A 14 14 LYS CB C 14 35.330 35.356 -0.026 1
1 94 . 6 1 1 A 14 14 LYS C C 14 175.781 175.956 -0.175 1
1 95 . 6 1 1 A 15 15 CYS N N 15 126.149 124.356 1.793 1
1 96 . 6 1 1 A 15 15 CYS H H 15 9.206 8.745 0.461 1
1 97 . 6 1 1 A 15 15 CYS CA C 15 59.419 60.128 -0.709 1
1 98 . 6 1 1 A 15 15 CYS HA H 15 4.452 4.479 -0.027 1
1 99 . 6 1 1 A 15 15 CYS CB C 15 30.193 28.896 1.297 1
1 102 . 6 1 1 A 15 15 CYS C C 15 177.815 176.354 1.461 1
1 103 . 6 1 1 A 16 16 MET N N 16 130.364 127.854 2.510 1
1 104 . 6 1 1 A 16 16 MET H H 16 9.109 9.102 0.007 1
1 105 . 6 1 1 A 16 16 MET CA C 16 57.294 55.161 2.133 1
1 106 . 6 1 1 A 16 16 MET HA H 16 4.344 4.648 -0.304 1
1 107 . 6 1 1 A 16 16 MET CB C 16 32.125 32.736 -0.611 1
1 117 . 6 1 1 A 16 16 MET C C 16 176.516 177.147 -0.631 1
1 118 . 6 1 1 A 17 17 GLU N N 17 121.077 119.205 1.872 1
1 119 . 6 1 1 A 17 17 GLU H H 17 8.854 8.144 0.710 1
1 120 . 6 1 1 A 17 17 GLU CA C 17 58.171 58.765 -0.594 1
1 121 . 6 1 1 A 17 17 GLU HA H 17 4.262 4.147 0.115 1
1 122 . 6 1 1 A 17 17 GLU CB C 17 29.895 30.131 -0.236 1
1 128 . 6 1 1 A 17 17 GLU C C 17 177.191 177.732 -0.541 1
1 129 . 6 1 1 A 18 18 CYS N N 18 115.700 115.696 0.004 1
1 130 . 6 1 1 A 18 18 CYS H H 18 8.241 7.616 0.625 1
1 131 . 6 1 1 A 18 18 CYS CA C 18 58.418 59.551 -1.133 1
1 132 . 6 1 1 A 18 18 CYS HA H 18 5.154 4.750 0.404 1
1 133 . 6 1 1 A 18 18 CYS CB C 18 32.494 30.423 2.071 1
1 136 . 6 1 1 A 18 18 CYS C C 18 176.450 175.664 0.786 1
1 137 . 6 1 1 A 19 19 GLY N N 19 113.303 110.075 3.228 1
1 138 . 6 1 1 A 19 19 GLY H H 19 8.052 8.520 -0.468 1
1 139 . 6 1 1 A 19 19 GLY CA C 19 46.231 45.927 0.304 1
1 140 . 6 1 1 A 19 19 GLY HA2 H 19 3.797 3.981 -0.184 1
1 141 . 6 1 1 A 19 19 GLY HA3 H 19 4.246 4.000 0.246 1
1 142 . 6 1 1 A 19 19 GLY C C 19 173.412 174.144 -0.732 1
1 143 . 6 1 1 A 20 20 LYS N N 20 123.674 120.202 3.472 1
1 144 . 6 1 1 A 20 20 LYS H H 20 8.067 7.640 0.427 1
1 145 . 6 1 1 A 20 20 LYS CA C 20 58.381 54.541 3.840 1
1 146 . 6 1 1 A 20 20 LYS HA H 20 3.928 4.536 -0.608 1
1 147 . 6 1 1 A 20 20 LYS CB C 20 33.713 34.820 -1.107 1
1 159 . 6 1 1 A 20 20 LYS C C 20 173.631 174.920 -1.289 1
1 160 . 6 1 1 A 21 21 ALA N N 21 125.402 128.717 -3.315 1
1 161 . 6 1 1 A 21 21 ALA H H 21 7.887 8.518 -0.631 1
1 162 . 6 1 1 A 21 21 ALA CA C 21 50.759 51.401 -0.642 1
1 163 . 6 1 1 A 21 21 ALA HA H 21 5.081 4.189 0.892 1
1 164 . 6 1 1 A 21 21 ALA CB C 21 21.883 20.016 1.867 1
1 168 . 6 1 1 A 21 21 ALA C C 21 176.527 176.666 -0.139 1
1 169 . 6 1 1 A 22 22 PHE N N 22 117.170 117.651 -0.481 1
1 170 . 6 1 1 A 22 22 PHE H H 22 8.990 8.297 0.693 1
1 171 . 6 1 1 A 22 22 PHE CA C 22 57.350 56.439 0.911 1
1 172 . 6 1 1 A 22 22 PHE HA H 22 4.659 5.002 -0.343 1
1 173 . 6 1 1 A 22 22 PHE CB C 22 44.390 43.476 0.914 1
1 186 . 6 1 1 A 22 22 PHE C C 22 175.725 175.755 -0.030 1
1 187 . 6 1 1 A 23 23 GLY N N 23 107.188 110.155 -2.967 1
1 188 . 6 1 1 A 23 23 GLY H H 23 9.268 8.433 0.835 1
1 189 . 6 1 1 A 23 23 GLY CA C 23 46.079 46.275 -0.196 1
1 190 . 6 1 1 A 23 23 GLY HA2 H 23 4.077 4.094 -0.017 1
1 191 . 6 1 1 A 23 23 GLY HA3 H 23 4.414 4.106 0.308 1
1 192 . 6 1 1 A 23 23 GLY C C 23 172.890 173.925 -1.035 1
1 193 . 6 1 1 A 24 24 ASP N N 24 114.453 118.274 -3.821 1
1 194 . 6 1 1 A 24 24 ASP H H 24 7.507 8.001 -0.494 1
1 195 . 6 1 1 A 24 24 ASP CA C 24 52.483 53.131 -0.648 1
1 196 . 6 1 1 A 24 24 ASP HA H 24 4.760 5.071 -0.311 1
1 197 . 6 1 1 A 24 24 ASP CB C 24 43.786 43.409 0.377 1
1 200 . 6 1 1 A 24 24 ASP C C 24 174.172 176.557 -2.385 1
1 201 . 6 1 1 A 25 25 ASN N N 25 119.702 123.485 -3.783 1
1 202 . 6 1 1 A 25 25 ASN H H 25 8.385 9.141 -0.756 1
1 203 . 6 1 1 A 25 25 ASN CA C 25 55.536 56.235 -0.699 1
1 204 . 6 1 1 A 25 25 ASN HA H 25 3.715 4.444 -0.729 1
1 205 . 6 1 1 A 25 25 ASN CB C 25 38.986 37.780 1.206 1
1 211 . 6 1 1 A 25 25 ASN C C 25 177.693 177.251 0.442 1
1 212 . 6 1 1 A 26 26 SER CA C 26 61.855 61.675 0.180 1
1 213 . 6 1 1 A 26 26 SER HA H 26 4.021 4.091 -0.070 1
1 214 . 6 1 1 A 26 26 SER CB C 26 62.050 63.204 -1.154 1
1 217 . 6 1 1 A 26 26 SER C C 26 177.134 177.265 -0.131 1
1 218 . 6 1 1 A 27 27 SER N N 27 118.698 116.606 2.092 1
1 219 . 6 1 1 A 27 27 SER H H 27 8.647 8.209 0.438 1
1 220 . 6 1 1 A 27 27 SER CA C 27 61.907 61.648 0.259 1
1 221 . 6 1 1 A 27 27 SER HA H 27 4.100 4.079 0.021 1
1 222 . 6 1 1 A 27 27 SER CB C 27 62.115 62.763 -0.648 1
1 225 . 6 1 1 A 27 27 SER C C 27 176.423 175.785 0.638 1
1 226 . 6 1 1 A 28 28 CYS N N 28 122.742 120.514 2.228 1
1 227 . 6 1 1 A 28 28 CYS H H 28 6.956 7.701 -0.745 1
1 228 . 6 1 1 A 28 28 CYS CA C 28 61.820 62.336 -0.516 1
1 229 . 6 1 1 A 28 28 CYS HA H 28 2.705 2.828 -0.123 1
1 230 . 6 1 1 A 28 28 CYS CB C 28 26.539 26.458 0.081 1
1 233 . 6 1 1 A 28 28 CYS C C 28 175.832 176.797 -0.965 1
1 234 . 6 1 1 A 29 29 THR N N 29 115.897 113.787 2.110 1
1 235 . 6 1 1 A 29 29 THR H H 29 8.427 8.751 -0.324 1
1 236 . 6 1 1 A 29 29 THR CA C 29 66.778 65.966 0.812 1
1 237 . 6 1 1 A 29 29 THR HA H 29 3.884 4.072 -0.188 1
1 238 . 6 1 1 A 29 29 THR CB C 29 68.701 68.157 0.544 1
1 244 . 6 1 1 A 29 29 THR C C 29 177.027 176.949 0.078 1
1 245 . 6 1 1 A 30 30 GLN N N 30 120.743 121.641 -0.898 1
1 246 . 6 1 1 A 30 30 GLN H H 30 8.083 7.249 0.834 1
1 247 . 6 1 1 A 30 30 GLN CA C 30 58.996 58.873 0.123 1
1 248 . 6 1 1 A 30 30 GLN HA H 30 3.908 3.936 -0.028 1
1 249 . 6 1 1 A 30 30 GLN CB C 30 28.430 28.488 -0.058 1
1 255 . 6 1 1 A 30 30 GLN C C 30 178.340 178.304 0.036 1
1 256 . 6 1 1 A 31 31 HIS N N 31 118.530 119.328 -0.798 1
1 257 . 6 1 1 A 31 31 HIS H H 31 7.436 8.404 -0.968 1
1 258 . 6 1 1 A 31 31 HIS CA C 31 59.161 59.939 -0.778 1
1 259 . 6 1 1 A 31 31 HIS HA H 31 4.186 3.942 0.244 1
1 260 . 6 1 1 A 31 31 HIS CB C 31 28.230 29.871 -1.641 1
1 267 . 6 1 1 A 31 31 HIS C C 31 176.587 177.030 -0.443 1
1 268 . 6 1 1 A 32 32 GLN N N 32 117.813 118.534 -0.721 1
1 269 . 6 1 1 A 32 32 GLN H H 32 8.384 8.042 0.342 1
1 270 . 6 1 1 A 32 32 GLN CA C 32 59.325 58.852 0.473 1
1 271 . 6 1 1 A 32 32 GLN HA H 32 3.895 3.883 0.012 1
1 272 . 6 1 1 A 32 32 GLN CB C 32 28.890 28.717 0.173 1
1 281 . 6 1 1 A 32 32 GLN C C 32 178.421 177.799 0.622 1
1 282 . 6 1 1 A 33 33 ARG N N 33 117.148 118.892 -1.744 1
1 283 . 6 1 1 A 33 33 ARG H H 33 7.394 8.375 -0.981 1
1 284 . 6 1 1 A 33 33 ARG CA C 33 58.234 59.351 -1.117 1
1 285 . 6 1 1 A 33 33 ARG HA H 33 4.123 3.962 0.161 1
1 286 . 6 1 1 A 33 33 ARG CB C 33 29.993 29.919 0.074 1
1 295 . 6 1 1 A 33 33 ARG C C 33 177.784 178.474 -0.690 1
1 296 . 6 1 1 A 34 34 LEU N N 34 118.313 118.655 -0.342 1
1 297 . 6 1 1 A 34 34 LEU H H 34 7.675 7.936 -0.261 1
1 298 . 6 1 1 A 34 34 LEU CA C 34 56.303 57.847 -1.544 1
1 299 . 6 1 1 A 34 34 LEU HA H 34 4.058 3.946 0.112 1
1 300 . 6 1 1 A 34 34 LEU CB C 34 41.324 41.387 -0.063 1
1 313 . 6 1 1 A 34 34 LEU C C 34 178.808 178.855 -0.047 1
1 314 . 6 1 1 A 35 35 HIS N N 35 115.638 118.748 -3.110 1
1 315 . 6 1 1 A 35 35 HIS H H 35 7.266 7.660 -0.394 1
1 316 . 6 1 1 A 35 35 HIS CA C 35 56.022 59.606 -3.584 1
1 317 . 6 1 1 A 35 35 HIS HA H 35 4.712 4.208 0.504 1
1 318 . 6 1 1 A 35 35 HIS CB C 35 28.540 29.750 -1.210 1
1 325 . 6 1 1 A 35 35 HIS C C 35 175.711 177.694 -1.983 1
1 326 . 6 1 1 A 36 36 THR N N 36 112.637 115.106 -2.469 1
1 327 . 6 1 1 A 36 36 THR H H 36 7.882 8.308 -0.426 1
1 328 . 6 1 1 A 36 36 THR CA C 36 62.455 65.574 -3.119 1
1 329 . 6 1 1 A 36 36 THR HA H 36 4.359 3.992 0.367 1
1 330 . 6 1 1 A 36 36 THR CB C 36 69.921 69.414 0.507 1
1 336 . 6 1 1 A 36 36 THR C C 36 175.355 175.038 0.317 1
1 337 . 6 1 1 A 37 37 GLY N N 37 110.846 107.711 3.135 1
1 338 . 6 1 1 A 37 37 GLY H H 37 8.350 7.576 0.774 1
1 339 . 6 1 1 A 37 37 GLY CA C 37 45.411 45.538 -0.127 1
1 340 . 6 1 1 A 37 37 GLY HA2 H 37 4.005 4.067 -0.062 1
1 341 . 6 1 1 A 37 37 GLY HA3 H 37 4.005 4.073 -0.068 1
1 342 . 6 1 1 A 37 37 GLY C C 37 174.062 174.059 0.003 1
1 343 . 6 1 1 A 38 38 GLN N N 38 119.605 124.715 -5.110 1
1 344 . 6 1 1 A 38 38 GLN H H 38 8.139 8.229 -0.090 1
1 345 . 6 1 1 A 38 38 GLN CA C 38 55.660 56.754 -1.094 1
1 346 . 6 1 1 A 38 38 GLN HA H 38 4.330 4.193 0.137 1
1 347 . 6 1 1 A 38 38 GLN CB C 38 29.565 28.872 0.693 1
1 353 . 6 1 1 A 38 38 GLN C C 38 175.790 175.435 0.355 1
1 354 . 6 1 1 A 39 39 ARG N N 39 123.670 124.996 -1.326 1
1 355 . 6 1 1 A 39 39 ARG H H 39 8.405 8.436 -0.031 1
1 356 . 6 1 1 A 39 39 ARG CA C 39 54.074 54.523 -0.449 1
1 357 . 6 1 1 A 39 39 ARG HA H 39 4.624 4.453 0.171 1
1 358 . 6 1 1 A 39 39 ARG CB C 39 30.193 29.547 0.646 1
1 367 . 6 1 1 A 39 39 ARG C C 39 174.276 174.473 -0.197 1
1 368 . 6 1 1 A 40 40 PRO CA C 40 63.263 62.527 0.736 1
1 369 . 6 1 1 A 40 40 PRO HA H 40 4.475 4.721 -0.246 1
1 370 . 6 1 1 A 40 40 PRO CB C 40 32.130 30.878 1.252 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.411 46.321 -0.910 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.041 4.030 0.011 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.041 4.045 -0.004 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.569 173.604 0.965 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.805 109.071 3.734 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.148 7.527 0.621 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.937 59.585 2.352 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.368 4.949 -0.581 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.797 72.460 -2.663 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.281 173.121 2.160 1
1 16 . 7 1 1 A 9 9 GLY N N 9 111.033 108.682 2.351 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.450 8.552 -0.102 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.415 44.297 1.118 1
1 19 . 7 1 1 A 9 9 GLY HA2 H 9 3.959 4.368 -0.409 1
1 20 . 7 1 1 A 9 9 GLY HA3 H 9 3.959 4.383 -0.424 1
1 21 . 7 1 1 A 9 9 GLY C C 9 174.015 173.542 0.473 1
1 22 . 7 1 1 A 10 10 GLU N N 10 120.268 116.488 3.780 1
1 23 . 7 1 1 A 10 10 GLU H H 10 8.220 8.499 -0.279 1
1 24 . 7 1 1 A 10 10 GLU CA C 10 56.694 55.658 1.036 1
1 25 . 7 1 1 A 10 10 GLU HA H 10 4.210 4.552 -0.342 1
1 26 . 7 1 1 A 10 10 GLU CB C 10 30.530 29.147 1.383 1
1 32 . 7 1 1 A 10 10 GLU C C 10 176.497 175.805 0.692 1
1 33 . 7 1 1 A 11 11 LYS N N 11 122.135 119.561 2.574 1
1 34 . 7 1 1 A 11 11 LYS H H 11 8.387 7.445 0.942 1
1 35 . 7 1 1 A 11 11 LYS CA C 11 53.918 52.949 0.969 1
1 36 . 7 1 1 A 11 11 LYS HA H 11 4.555 4.712 -0.157 1
1 37 . 7 1 1 A 11 11 LYS CB C 11 33.223 34.160 -0.937 1
1 49 . 7 1 1 A 11 11 LYS C C 11 174.096 175.926 -1.830 1
1 50 . 7 1 1 A 12 12 PRO CA C 12 63.645 64.999 -1.354 1
1 51 . 7 1 1 A 12 12 PRO HA H 12 4.298 4.397 -0.099 1
1 52 . 7 1 1 A 12 12 PRO CB C 12 32.332 32.079 0.253 1
1 61 . 7 1 1 A 12 12 PRO C C 12 176.462 177.233 -0.771 1
1 62 . 7 1 1 A 13 13 TYR N N 13 118.803 114.375 4.428 1
1 63 . 7 1 1 A 13 13 TYR H H 13 7.796 8.172 -0.376 1
1 64 . 7 1 1 A 13 13 TYR CA C 13 57.652 57.250 0.402 1
1 65 . 7 1 1 A 13 13 TYR HA H 13 4.640 4.642 -0.002 1
1 66 . 7 1 1 A 13 13 TYR CB C 13 38.399 38.377 0.022 1
1 77 . 7 1 1 A 13 13 TYR C C 13 174.480 174.788 -0.308 1
1 78 . 7 1 1 A 14 14 LYS N N 14 123.448 122.386 1.062 1
1 79 . 7 1 1 A 14 14 LYS H H 14 8.515 7.374 1.141 1
1 80 . 7 1 1 A 14 14 LYS CA C 14 54.743 54.149 0.594 1
1 81 . 7 1 1 A 14 14 LYS HA H 14 5.139 4.942 0.197 1
1 82 . 7 1 1 A 14 14 LYS CB C 14 35.330 35.883 -0.553 1
1 94 . 7 1 1 A 14 14 LYS C C 14 175.781 175.835 -0.054 1
1 95 . 7 1 1 A 15 15 CYS N N 15 126.149 124.267 1.882 1
1 96 . 7 1 1 A 15 15 CYS H H 15 9.206 9.106 0.100 1
1 97 . 7 1 1 A 15 15 CYS CA C 15 59.419 59.780 -0.361 1
1 98 . 7 1 1 A 15 15 CYS HA H 15 4.452 4.520 -0.068 1
1 99 . 7 1 1 A 15 15 CYS CB C 15 30.193 28.520 1.673 1
1 102 . 7 1 1 A 15 15 CYS C C 15 177.815 176.504 1.311 1
1 103 . 7 1 1 A 16 16 MET N N 16 130.364 126.943 3.421 1
1 104 . 7 1 1 A 16 16 MET H H 16 9.109 8.974 0.135 1
1 105 . 7 1 1 A 16 16 MET CA C 16 57.294 58.075 -0.781 1
1 106 . 7 1 1 A 16 16 MET HA H 16 4.344 4.352 -0.008 1
1 107 . 7 1 1 A 16 16 MET CB C 16 32.125 32.714 -0.589 1
1 117 . 7 1 1 A 16 16 MET C C 16 176.516 177.976 -1.460 1
1 118 . 7 1 1 A 17 17 GLU N N 17 121.077 119.920 1.157 1
1 119 . 7 1 1 A 17 17 GLU H H 17 8.854 8.340 0.514 1
1 120 . 7 1 1 A 17 17 GLU CA C 17 58.171 59.240 -1.069 1
1 121 . 7 1 1 A 17 17 GLU HA H 17 4.262 3.941 0.321 1
1 122 . 7 1 1 A 17 17 GLU CB C 17 29.895 29.082 0.813 1
1 128 . 7 1 1 A 17 17 GLU C C 17 177.191 177.744 -0.553 1
1 129 . 7 1 1 A 18 18 CYS N N 18 115.700 114.821 0.879 1
1 130 . 7 1 1 A 18 18 CYS H H 18 8.241 8.032 0.209 1
1 131 . 7 1 1 A 18 18 CYS CA C 18 58.418 59.566 -1.148 1
1 132 . 7 1 1 A 18 18 CYS HA H 18 5.154 4.713 0.441 1
1 133 . 7 1 1 A 18 18 CYS CB C 18 32.494 30.092 2.402 1
1 136 . 7 1 1 A 18 18 CYS C C 18 176.450 176.010 0.440 1
1 137 . 7 1 1 A 19 19 GLY N N 19 113.303 110.334 2.969 1
1 138 . 7 1 1 A 19 19 GLY H H 19 8.052 8.130 -0.078 1
1 139 . 7 1 1 A 19 19 GLY CA C 19 46.231 46.192 0.039 1
1 140 . 7 1 1 A 19 19 GLY HA2 H 19 3.797 3.954 -0.157 1
1 141 . 7 1 1 A 19 19 GLY HA3 H 19 4.246 3.960 0.286 1
1 142 . 7 1 1 A 19 19 GLY C C 19 173.412 174.310 -0.898 1
1 143 . 7 1 1 A 20 20 LYS N N 20 123.674 120.538 3.136 1
1 144 . 7 1 1 A 20 20 LYS H H 20 8.067 7.150 0.917 1
1 145 . 7 1 1 A 20 20 LYS CA C 20 58.381 54.533 3.848 1
1 146 . 7 1 1 A 20 20 LYS HA H 20 3.928 4.480 -0.552 1
1 147 . 7 1 1 A 20 20 LYS CB C 20 33.713 34.319 -0.606 1
1 159 . 7 1 1 A 20 20 LYS C C 20 173.631 175.153 -1.522 1
1 160 . 7 1 1 A 21 21 ALA N N 21 125.402 127.557 -2.155 1
1 161 . 7 1 1 A 21 21 ALA H H 21 7.887 8.600 -0.713 1
1 162 . 7 1 1 A 21 21 ALA CA C 21 50.759 50.944 -0.185 1
1 163 . 7 1 1 A 21 21 ALA HA H 21 5.081 4.900 0.181 1
1 164 . 7 1 1 A 21 21 ALA CB C 21 21.883 20.897 0.986 1
1 168 . 7 1 1 A 21 21 ALA C C 21 176.527 176.413 0.114 1
1 169 . 7 1 1 A 22 22 PHE N N 22 117.170 118.293 -1.123 1
1 170 . 7 1 1 A 22 22 PHE H H 22 8.990 8.599 0.391 1
1 171 . 7 1 1 A 22 22 PHE CA C 22 57.350 56.601 0.749 1
1 172 . 7 1 1 A 22 22 PHE HA H 22 4.659 4.807 -0.148 1
1 173 . 7 1 1 A 22 22 PHE CB C 22 44.390 42.074 2.316 1
1 186 . 7 1 1 A 22 22 PHE C C 22 175.725 176.274 -0.549 1
1 187 . 7 1 1 A 23 23 GLY N N 23 107.188 110.764 -3.576 1
1 188 . 7 1 1 A 23 23 GLY H H 23 9.268 8.945 0.323 1
1 189 . 7 1 1 A 23 23 GLY CA C 23 46.079 47.752 -1.673 1
1 190 . 7 1 1 A 23 23 GLY HA2 H 23 4.077 3.894 0.183 1
1 191 . 7 1 1 A 23 23 GLY HA3 H 23 4.414 3.902 0.512 1
1 192 . 7 1 1 A 23 23 GLY C C 23 172.890 173.734 -0.844 1
1 193 . 7 1 1 A 24 24 ASP N N 24 114.453 119.428 -4.975 1
1 194 . 7 1 1 A 24 24 ASP H H 24 7.507 8.054 -0.547 1
1 195 . 7 1 1 A 24 24 ASP CA C 24 52.483 52.373 0.110 1
1 196 . 7 1 1 A 24 24 ASP HA H 24 4.760 4.992 -0.232 1
1 197 . 7 1 1 A 24 24 ASP CB C 24 43.786 42.870 0.916 1
1 200 . 7 1 1 A 24 24 ASP C C 24 174.172 176.374 -2.202 1
1 201 . 7 1 1 A 25 25 ASN N N 25 119.702 124.984 -5.282 1
1 202 . 7 1 1 A 25 25 ASN H H 25 8.385 8.971 -0.586 1
1 203 . 7 1 1 A 25 25 ASN CA C 25 55.536 56.918 -1.382 1
1 204 . 7 1 1 A 25 25 ASN HA H 25 3.715 4.493 -0.778 1
1 205 . 7 1 1 A 25 25 ASN CB C 25 38.986 38.425 0.561 1
1 211 . 7 1 1 A 25 25 ASN C C 25 177.693 177.220 0.473 1
1 212 . 7 1 1 A 26 26 SER CA C 26 61.855 61.898 -0.043 1
1 213 . 7 1 1 A 26 26 SER HA H 26 4.021 4.055 -0.034 1
1 214 . 7 1 1 A 26 26 SER CB C 26 62.050 62.605 -0.555 1
1 217 . 7 1 1 A 26 26 SER C C 26 177.134 176.893 0.241 1
1 218 . 7 1 1 A 27 27 SER N N 27 118.698 115.741 2.957 1
1 219 . 7 1 1 A 27 27 SER H H 27 8.647 8.429 0.218 1
1 220 . 7 1 1 A 27 27 SER CA C 27 61.907 61.036 0.871 1
1 221 . 7 1 1 A 27 27 SER HA H 27 4.100 4.205 -0.105 1
1 222 . 7 1 1 A 27 27 SER CB C 27 62.115 62.334 -0.219 1
1 225 . 7 1 1 A 27 27 SER C C 27 176.423 176.803 -0.380 1
1 226 . 7 1 1 A 28 28 CYS N N 28 122.742 120.634 2.108 1
1 227 . 7 1 1 A 28 28 CYS H H 28 6.956 7.522 -0.566 1
1 228 . 7 1 1 A 28 28 CYS CA C 28 61.820 62.519 -0.699 1
1 229 . 7 1 1 A 28 28 CYS HA H 28 2.705 3.257 -0.552 1
1 230 . 7 1 1 A 28 28 CYS CB C 28 26.539 26.101 0.438 1
1 233 . 7 1 1 A 28 28 CYS C C 28 175.832 176.826 -0.994 1
1 234 . 7 1 1 A 29 29 THR N N 29 115.897 116.675 -0.778 1
1 235 . 7 1 1 A 29 29 THR H H 29 8.427 8.295 0.132 1
1 236 . 7 1 1 A 29 29 THR CA C 29 66.778 66.012 0.766 1
1 237 . 7 1 1 A 29 29 THR HA H 29 3.884 3.954 -0.070 1
1 238 . 7 1 1 A 29 29 THR CB C 29 68.701 68.837 -0.136 1
1 244 . 7 1 1 A 29 29 THR C C 29 177.027 176.925 0.102 1
1 245 . 7 1 1 A 30 30 GLN N N 30 120.743 120.131 0.612 1
1 246 . 7 1 1 A 30 30 GLN H H 30 8.083 7.451 0.632 1
1 247 . 7 1 1 A 30 30 GLN CA C 30 58.996 58.492 0.504 1
1 248 . 7 1 1 A 30 30 GLN HA H 30 3.908 4.040 -0.132 1
1 249 . 7 1 1 A 30 30 GLN CB C 30 28.430 28.683 -0.253 1
1 255 . 7 1 1 A 30 30 GLN C C 30 178.340 177.944 0.396 1
1 256 . 7 1 1 A 31 31 HIS N N 31 118.530 120.236 -1.706 1
1 257 . 7 1 1 A 31 31 HIS H H 31 7.436 7.815 -0.379 1
1 258 . 7 1 1 A 31 31 HIS CA C 31 59.161 59.782 -0.621 1
1 259 . 7 1 1 A 31 31 HIS HA H 31 4.186 3.979 0.207 1
1 260 . 7 1 1 A 31 31 HIS CB C 31 28.230 29.860 -1.630 1
1 267 . 7 1 1 A 31 31 HIS C C 31 176.587 176.611 -0.024 1
1 268 . 7 1 1 A 32 32 GLN N N 32 117.813 117.197 0.616 1
1 269 . 7 1 1 A 32 32 GLN H H 32 8.384 7.983 0.401 1
1 270 . 7 1 1 A 32 32 GLN CA C 32 59.325 59.082 0.243 1
1 271 . 7 1 1 A 32 32 GLN HA H 32 3.895 3.945 -0.050 1
1 272 . 7 1 1 A 32 32 GLN CB C 32 28.890 28.138 0.752 1
1 281 . 7 1 1 A 32 32 GLN C C 32 178.421 178.077 0.344 1
1 282 . 7 1 1 A 33 33 ARG N N 33 117.148 119.112 -1.964 1
1 283 . 7 1 1 A 33 33 ARG H H 33 7.394 8.366 -0.972 1
1 284 . 7 1 1 A 33 33 ARG CA C 33 58.234 58.924 -0.690 1
1 285 . 7 1 1 A 33 33 ARG HA H 33 4.123 3.959 0.164 1
1 286 . 7 1 1 A 33 33 ARG CB C 33 29.993 29.894 0.099 1
1 295 . 7 1 1 A 33 33 ARG C C 33 177.784 178.761 -0.977 1
1 296 . 7 1 1 A 34 34 LEU N N 34 118.313 118.568 -0.255 1
1 297 . 7 1 1 A 34 34 LEU H H 34 7.675 7.653 0.022 1
1 298 . 7 1 1 A 34 34 LEU CA C 34 56.303 57.526 -1.223 1
1 299 . 7 1 1 A 34 34 LEU HA H 34 4.058 3.926 0.132 1
1 300 . 7 1 1 A 34 34 LEU CB C 34 41.324 41.048 0.276 1
1 313 . 7 1 1 A 34 34 LEU C C 34 178.808 177.570 1.238 1
1 314 . 7 1 1 A 35 35 HIS N N 35 115.638 116.537 -0.899 1
1 315 . 7 1 1 A 35 35 HIS H H 35 7.266 7.932 -0.666 1
1 316 . 7 1 1 A 35 35 HIS CA C 35 56.022 55.961 0.061 1
1 317 . 7 1 1 A 35 35 HIS HA H 35 4.712 4.555 0.157 1
1 318 . 7 1 1 A 35 35 HIS CB C 35 28.540 29.262 -0.722 1
1 325 . 7 1 1 A 35 35 HIS C C 35 175.711 174.943 0.768 1
1 326 . 7 1 1 A 36 36 THR N N 36 112.637 114.595 -1.958 1
1 327 . 7 1 1 A 36 36 THR H H 36 7.882 7.822 0.060 1
1 328 . 7 1 1 A 36 36 THR CA C 36 62.455 60.736 1.719 1
1 329 . 7 1 1 A 36 36 THR HA H 36 4.359 4.664 -0.305 1
1 330 . 7 1 1 A 36 36 THR CB C 36 69.921 68.054 1.867 1
1 336 . 7 1 1 A 36 36 THR C C 36 175.355 174.359 0.996 1
1 337 . 7 1 1 A 37 37 GLY N N 37 110.846 112.374 -1.528 1
1 338 . 7 1 1 A 37 37 GLY H H 37 8.350 8.224 0.126 1
1 339 . 7 1 1 A 37 37 GLY CA C 37 45.411 46.135 -0.724 1
1 340 . 7 1 1 A 37 37 GLY HA2 H 37 4.005 4.175 -0.170 1
1 341 . 7 1 1 A 37 37 GLY HA3 H 37 4.005 4.177 -0.172 1
1 342 . 7 1 1 A 37 37 GLY C C 37 174.062 173.938 0.124 1
1 343 . 7 1 1 A 38 38 GLN N N 38 119.605 125.448 -5.843 1
1 344 . 7 1 1 A 38 38 GLN H H 38 8.139 8.639 -0.500 1
1 345 . 7 1 1 A 38 38 GLN CA C 38 55.660 57.450 -1.790 1
1 346 . 7 1 1 A 38 38 GLN HA H 38 4.330 4.367 -0.037 1
1 347 . 7 1 1 A 38 38 GLN CB C 38 29.565 30.122 -0.557 1
1 353 . 7 1 1 A 38 38 GLN C C 38 175.790 175.661 0.129 1
1 354 . 7 1 1 A 39 39 ARG N N 39 123.670 119.391 4.279 1
1 355 . 7 1 1 A 39 39 ARG H H 39 8.405 8.059 0.346 1
1 356 . 7 1 1 A 39 39 ARG CA C 39 54.074 57.010 -2.936 1
1 357 . 7 1 1 A 39 39 ARG HA H 39 4.624 4.021 0.603 1
1 358 . 7 1 1 A 39 39 ARG CB C 39 30.193 28.767 1.426 1
1 367 . 7 1 1 A 39 39 ARG C C 39 174.276 176.954 -2.678 1
1 368 . 7 1 1 A 40 40 PRO CA C 40 63.263 65.115 -1.852 1
1 369 . 7 1 1 A 40 40 PRO HA H 40 4.475 4.456 0.019 1
1 370 . 7 1 1 A 40 40 PRO CB C 40 32.130 31.838 0.292 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.411 45.612 -0.201 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.041 4.161 -0.120 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.041 4.163 -0.122 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.569 174.587 -0.018 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.805 110.159 2.646 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.148 7.699 0.449 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.937 60.114 1.823 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.368 4.680 -0.312 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.797 68.436 1.361 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.281 174.859 0.422 1
1 16 . 8 1 1 A 9 9 GLY N N 9 111.033 110.971 0.062 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.450 8.251 0.199 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.415 45.442 -0.027 1
1 19 . 8 1 1 A 9 9 GLY HA2 H 9 3.959 3.997 -0.038 1
1 20 . 8 1 1 A 9 9 GLY HA3 H 9 3.959 4.002 -0.043 1
1 21 . 8 1 1 A 9 9 GLY C C 9 174.015 173.524 0.491 1
1 22 . 8 1 1 A 10 10 GLU N N 10 120.268 120.839 -0.571 1
1 23 . 8 1 1 A 10 10 GLU H H 10 8.220 8.740 -0.520 1
1 24 . 8 1 1 A 10 10 GLU CA C 10 56.694 56.071 0.623 1
1 25 . 8 1 1 A 10 10 GLU HA H 10 4.210 4.510 -0.300 1
1 26 . 8 1 1 A 10 10 GLU CB C 10 30.530 28.230 2.300 1
1 32 . 8 1 1 A 10 10 GLU C C 10 176.497 176.639 -0.142 1
1 33 . 8 1 1 A 11 11 LYS N N 11 122.135 118.416 3.719 1
1 34 . 8 1 1 A 11 11 LYS H H 11 8.387 8.021 0.366 1
1 35 . 8 1 1 A 11 11 LYS CA C 11 53.918 53.643 0.275 1
1 36 . 8 1 1 A 11 11 LYS HA H 11 4.555 4.420 0.135 1
1 37 . 8 1 1 A 11 11 LYS CB C 11 33.223 32.432 0.791 1
1 49 . 8 1 1 A 11 11 LYS C C 11 174.096 176.264 -2.168 1
1 50 . 8 1 1 A 12 12 PRO CA C 12 63.645 64.335 -0.690 1
1 51 . 8 1 1 A 12 12 PRO HA H 12 4.298 4.596 -0.298 1
1 52 . 8 1 1 A 12 12 PRO CB C 12 32.332 31.922 0.410 1
1 61 . 8 1 1 A 12 12 PRO C C 12 176.462 175.104 1.358 1
1 62 . 8 1 1 A 13 13 TYR N N 13 118.803 113.855 4.948 1
1 63 . 8 1 1 A 13 13 TYR H H 13 7.796 7.224 0.572 1
1 64 . 8 1 1 A 13 13 TYR CA C 13 57.652 55.997 1.655 1
1 65 . 8 1 1 A 13 13 TYR HA H 13 4.640 5.120 -0.480 1
1 66 . 8 1 1 A 13 13 TYR CB C 13 38.399 41.270 -2.871 1
1 77 . 8 1 1 A 13 13 TYR C C 13 174.480 173.042 1.438 1
1 78 . 8 1 1 A 14 14 LYS N N 14 123.448 124.459 -1.011 1
1 79 . 8 1 1 A 14 14 LYS H H 14 8.515 9.060 -0.545 1
1 80 . 8 1 1 A 14 14 LYS CA C 14 54.743 54.140 0.603 1
1 81 . 8 1 1 A 14 14 LYS HA H 14 5.139 5.088 0.051 1
1 82 . 8 1 1 A 14 14 LYS CB C 14 35.330 36.218 -0.888 1
1 94 . 8 1 1 A 14 14 LYS C C 14 175.781 175.270 0.511 1
1 95 . 8 1 1 A 15 15 CYS N N 15 126.149 124.635 1.514 1
1 96 . 8 1 1 A 15 15 CYS H H 15 9.206 9.028 0.178 1
1 97 . 8 1 1 A 15 15 CYS CA C 15 59.419 60.186 -0.767 1
1 98 . 8 1 1 A 15 15 CYS HA H 15 4.452 4.446 0.006 1
1 99 . 8 1 1 A 15 15 CYS CB C 15 30.193 28.683 1.510 1
1 102 . 8 1 1 A 15 15 CYS C C 15 177.815 174.833 2.982 1
1 103 . 8 1 1 A 16 16 MET N N 16 130.364 126.107 4.257 1
1 104 . 8 1 1 A 16 16 MET H H 16 9.109 8.626 0.483 1
1 105 . 8 1 1 A 16 16 MET CA C 16 57.294 56.440 0.854 1
1 106 . 8 1 1 A 16 16 MET HA H 16 4.344 4.475 -0.131 1
1 107 . 8 1 1 A 16 16 MET CB C 16 32.125 33.188 -1.063 1
1 117 . 8 1 1 A 16 16 MET C C 16 176.516 177.685 -1.169 1
1 118 . 8 1 1 A 17 17 GLU N N 17 121.077 118.344 2.733 1
1 119 . 8 1 1 A 17 17 GLU H H 17 8.854 8.141 0.713 1
1 120 . 8 1 1 A 17 17 GLU CA C 17 58.171 59.444 -1.273 1
1 121 . 8 1 1 A 17 17 GLU HA H 17 4.262 4.056 0.206 1
1 122 . 8 1 1 A 17 17 GLU CB C 17 29.895 28.879 1.016 1
1 128 . 8 1 1 A 17 17 GLU C C 17 177.191 178.168 -0.977 1
1 129 . 8 1 1 A 18 18 CYS N N 18 115.700 114.852 0.848 1
1 130 . 8 1 1 A 18 18 CYS H H 18 8.241 7.942 0.299 1
1 131 . 8 1 1 A 18 18 CYS CA C 18 58.418 59.766 -1.348 1
1 132 . 8 1 1 A 18 18 CYS HA H 18 5.154 4.720 0.434 1
1 133 . 8 1 1 A 18 18 CYS CB C 18 32.494 30.074 2.420 1
1 136 . 8 1 1 A 18 18 CYS C C 18 176.450 175.635 0.815 1
1 137 . 8 1 1 A 19 19 GLY N N 19 113.303 110.183 3.120 1
1 138 . 8 1 1 A 19 19 GLY H H 19 8.052 8.292 -0.240 1
1 139 . 8 1 1 A 19 19 GLY CA C 19 46.231 45.895 0.336 1
1 140 . 8 1 1 A 19 19 GLY HA2 H 19 3.797 4.015 -0.218 1
1 141 . 8 1 1 A 19 19 GLY HA3 H 19 4.246 4.025 0.221 1
1 142 . 8 1 1 A 19 19 GLY C C 19 173.412 174.194 -0.782 1
1 143 . 8 1 1 A 20 20 LYS N N 20 123.674 118.952 4.722 1
1 144 . 8 1 1 A 20 20 LYS H H 20 8.067 7.869 0.198 1
1 145 . 8 1 1 A 20 20 LYS CA C 20 58.381 53.961 4.420 1
1 146 . 8 1 1 A 20 20 LYS HA H 20 3.928 4.653 -0.725 1
1 147 . 8 1 1 A 20 20 LYS CB C 20 33.713 34.593 -0.880 1
1 159 . 8 1 1 A 20 20 LYS C C 20 173.631 174.921 -1.290 1
1 160 . 8 1 1 A 21 21 ALA N N 21 125.402 123.217 2.185 1
1 161 . 8 1 1 A 21 21 ALA H H 21 7.887 8.442 -0.555 1
1 162 . 8 1 1 A 21 21 ALA CA C 21 50.759 50.198 0.561 1
1 163 . 8 1 1 A 21 21 ALA HA H 21 5.081 5.195 -0.114 1
1 164 . 8 1 1 A 21 21 ALA CB C 21 21.883 22.228 -0.345 1
1 168 . 8 1 1 A 21 21 ALA C C 21 176.527 175.953 0.574 1
1 169 . 8 1 1 A 22 22 PHE N N 22 117.170 114.915 2.255 1
1 170 . 8 1 1 A 22 22 PHE H H 22 8.990 8.624 0.366 1
1 171 . 8 1 1 A 22 22 PHE CA C 22 57.350 56.596 0.754 1
1 172 . 8 1 1 A 22 22 PHE HA H 22 4.659 5.015 -0.356 1
1 173 . 8 1 1 A 22 22 PHE CB C 22 44.390 44.051 0.339 1
1 186 . 8 1 1 A 22 22 PHE C C 22 175.725 175.340 0.385 1
1 187 . 8 1 1 A 23 23 GLY N N 23 107.188 110.374 -3.186 1
1 188 . 8 1 1 A 23 23 GLY H H 23 9.268 8.577 0.691 1
1 189 . 8 1 1 A 23 23 GLY CA C 23 46.079 46.243 -0.164 1
1 190 . 8 1 1 A 23 23 GLY HA2 H 23 4.077 4.001 0.076 1
1 191 . 8 1 1 A 23 23 GLY HA3 H 23 4.414 4.013 0.401 1
1 192 . 8 1 1 A 23 23 GLY C C 23 172.890 173.481 -0.591 1
1 193 . 8 1 1 A 24 24 ASP N N 24 114.453 120.333 -5.880 1
1 194 . 8 1 1 A 24 24 ASP H H 24 7.507 7.887 -0.380 1
1 195 . 8 1 1 A 24 24 ASP CA C 24 52.483 53.234 -0.751 1
1 196 . 8 1 1 A 24 24 ASP HA H 24 4.760 5.013 -0.253 1
1 197 . 8 1 1 A 24 24 ASP CB C 24 43.786 43.014 0.772 1
1 200 . 8 1 1 A 24 24 ASP C C 24 174.172 176.319 -2.147 1
1 201 . 8 1 1 A 25 25 ASN N N 25 119.702 122.512 -2.810 1
1 202 . 8 1 1 A 25 25 ASN H H 25 8.385 8.891 -0.506 1
1 203 . 8 1 1 A 25 25 ASN CA C 25 55.536 56.775 -1.239 1
1 204 . 8 1 1 A 25 25 ASN HA H 25 3.715 4.405 -0.690 1
1 205 . 8 1 1 A 25 25 ASN CB C 25 38.986 38.583 0.403 1
1 211 . 8 1 1 A 25 25 ASN C C 25 177.693 177.211 0.482 1
1 212 . 8 1 1 A 26 26 SER CA C 26 61.855 61.895 -0.040 1
1 213 . 8 1 1 A 26 26 SER HA H 26 4.021 4.071 -0.050 1
1 214 . 8 1 1 A 26 26 SER CB C 26 62.050 62.652 -0.602 1
1 217 . 8 1 1 A 26 26 SER C C 26 177.134 176.867 0.267 1
1 218 . 8 1 1 A 27 27 SER N N 27 118.698 115.897 2.801 1
1 219 . 8 1 1 A 27 27 SER H H 27 8.647 8.417 0.230 1
1 220 . 8 1 1 A 27 27 SER CA C 27 61.907 61.240 0.667 1
1 221 . 8 1 1 A 27 27 SER HA H 27 4.100 4.206 -0.106 1
1 222 . 8 1 1 A 27 27 SER CB C 27 62.115 62.421 -0.306 1
1 225 . 8 1 1 A 27 27 SER C C 27 176.423 176.486 -0.063 1
1 226 . 8 1 1 A 28 28 CYS N N 28 122.742 120.796 1.946 1
1 227 . 8 1 1 A 28 28 CYS H H 28 6.956 7.741 -0.785 1
1 228 . 8 1 1 A 28 28 CYS CA C 28 61.820 62.086 -0.266 1
1 229 . 8 1 1 A 28 28 CYS HA H 28 2.705 3.404 -0.699 1
1 230 . 8 1 1 A 28 28 CYS CB C 28 26.539 26.583 -0.044 1
1 233 . 8 1 1 A 28 28 CYS C C 28 175.832 176.993 -1.161 1
1 234 . 8 1 1 A 29 29 THR N N 29 115.897 117.125 -1.228 1
1 235 . 8 1 1 A 29 29 THR H H 29 8.427 8.289 0.138 1
1 236 . 8 1 1 A 29 29 THR CA C 29 66.778 66.715 0.063 1
1 237 . 8 1 1 A 29 29 THR HA H 29 3.884 3.841 0.043 1
1 238 . 8 1 1 A 29 29 THR CB C 29 68.701 68.653 0.048 1
1 244 . 8 1 1 A 29 29 THR C C 29 177.027 176.445 0.582 1
1 245 . 8 1 1 A 30 30 GLN N N 30 120.743 119.168 1.575 1
1 246 . 8 1 1 A 30 30 GLN H H 30 8.083 8.028 0.055 1
1 247 . 8 1 1 A 30 30 GLN CA C 30 58.996 58.413 0.583 1
1 248 . 8 1 1 A 30 30 GLN HA H 30 3.908 4.089 -0.181 1
1 249 . 8 1 1 A 30 30 GLN CB C 30 28.430 28.621 -0.191 1
1 255 . 8 1 1 A 30 30 GLN C C 30 178.340 178.269 0.071 1
1 256 . 8 1 1 A 31 31 HIS N N 31 118.530 120.584 -2.054 1
1 257 . 8 1 1 A 31 31 HIS H H 31 7.436 7.901 -0.465 1
1 258 . 8 1 1 A 31 31 HIS CA C 31 59.161 60.072 -0.911 1
1 259 . 8 1 1 A 31 31 HIS HA H 31 4.186 4.146 0.040 1
1 260 . 8 1 1 A 31 31 HIS CB C 31 28.230 29.877 -1.647 1
1 267 . 8 1 1 A 31 31 HIS C C 31 176.587 176.778 -0.191 1
1 268 . 8 1 1 A 32 32 GLN N N 32 117.813 117.970 -0.157 1
1 269 . 8 1 1 A 32 32 GLN H H 32 8.384 8.098 0.286 1
1 270 . 8 1 1 A 32 32 GLN CA C 32 59.325 59.217 0.108 1
1 271 . 8 1 1 A 32 32 GLN HA H 32 3.895 3.924 -0.029 1
1 272 . 8 1 1 A 32 32 GLN CB C 32 28.890 28.576 0.314 1
1 281 . 8 1 1 A 32 32 GLN C C 32 178.421 178.423 -0.002 1
1 282 . 8 1 1 A 33 33 ARG N N 33 117.148 119.799 -2.651 1
1 283 . 8 1 1 A 33 33 ARG H H 33 7.394 7.290 0.104 1
1 284 . 8 1 1 A 33 33 ARG CA C 33 58.234 58.973 -0.739 1
1 285 . 8 1 1 A 33 33 ARG HA H 33 4.123 4.039 0.084 1
1 286 . 8 1 1 A 33 33 ARG CB C 33 29.993 29.796 0.197 1
1 295 . 8 1 1 A 33 33 ARG C C 33 177.784 178.708 -0.924 1
1 296 . 8 1 1 A 34 34 LEU N N 34 118.313 119.675 -1.362 1
1 297 . 8 1 1 A 34 34 LEU H H 34 7.675 8.411 -0.736 1
1 298 . 8 1 1 A 34 34 LEU CA C 34 56.303 57.828 -1.525 1
1 299 . 8 1 1 A 34 34 LEU HA H 34 4.058 3.925 0.133 1
1 300 . 8 1 1 A 34 34 LEU CB C 34 41.324 41.342 -0.018 1
1 313 . 8 1 1 A 34 34 LEU C C 34 178.808 178.909 -0.101 1
1 314 . 8 1 1 A 35 35 HIS N N 35 115.638 116.360 -0.722 1
1 315 . 8 1 1 A 35 35 HIS H H 35 7.266 7.775 -0.509 1
1 316 . 8 1 1 A 35 35 HIS CA C 35 56.022 59.185 -3.163 1
1 317 . 8 1 1 A 35 35 HIS HA H 35 4.712 4.304 0.408 1
1 318 . 8 1 1 A 35 35 HIS CB C 35 28.540 29.529 -0.989 1
1 325 . 8 1 1 A 35 35 HIS C C 35 175.711 175.930 -0.219 1
1 326 . 8 1 1 A 36 36 THR N N 36 112.637 111.902 0.735 1
1 327 . 8 1 1 A 36 36 THR H H 36 7.882 7.388 0.494 1
1 328 . 8 1 1 A 36 36 THR CA C 36 62.455 63.011 -0.556 1
1 329 . 8 1 1 A 36 36 THR HA H 36 4.359 4.191 0.168 1
1 330 . 8 1 1 A 36 36 THR CB C 36 69.921 68.145 1.776 1
1 336 . 8 1 1 A 36 36 THR C C 36 175.355 175.143 0.212 1
1 337 . 8 1 1 A 37 37 GLY N N 37 110.846 113.212 -2.366 1
1 338 . 8 1 1 A 37 37 GLY H H 37 8.350 8.372 -0.022 1
1 339 . 8 1 1 A 37 37 GLY CA C 37 45.411 45.961 -0.550 1
1 340 . 8 1 1 A 37 37 GLY HA2 H 37 4.005 4.093 -0.088 1
1 341 . 8 1 1 A 37 37 GLY HA3 H 37 4.005 4.099 -0.094 1
1 342 . 8 1 1 A 37 37 GLY C C 37 174.062 174.328 -0.266 1
1 343 . 8 1 1 A 38 38 GLN N N 38 119.605 119.200 0.405 1
1 344 . 8 1 1 A 38 38 GLN H H 38 8.139 8.299 -0.160 1
1 345 . 8 1 1 A 38 38 GLN CA C 38 55.660 56.699 -1.039 1
1 346 . 8 1 1 A 38 38 GLN HA H 38 4.330 3.809 0.521 1
1 347 . 8 1 1 A 38 38 GLN CB C 38 29.565 26.805 2.760 1
1 353 . 8 1 1 A 38 38 GLN C C 38 175.790 175.179 0.611 1
1 354 . 8 1 1 A 39 39 ARG N N 39 123.670 119.595 4.075 1
1 355 . 8 1 1 A 39 39 ARG H H 39 8.405 7.905 0.500 1
1 356 . 8 1 1 A 39 39 ARG CA C 39 54.074 54.906 -0.832 1
1 357 . 8 1 1 A 39 39 ARG HA H 39 4.624 4.351 0.273 1
1 358 . 8 1 1 A 39 39 ARG CB C 39 30.193 29.878 0.315 1
1 367 . 8 1 1 A 39 39 ARG C C 39 174.276 174.348 -0.072 1
1 368 . 8 1 1 A 40 40 PRO CA C 40 63.263 62.760 0.503 1
1 369 . 8 1 1 A 40 40 PRO HA H 40 4.475 4.530 -0.055 1
1 370 . 8 1 1 A 40 40 PRO CB C 40 32.130 32.206 -0.076 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.411 44.589 0.822 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.041 4.136 -0.095 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.041 4.136 -0.095 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.569 174.227 0.342 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.805 115.182 -2.377 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.148 8.532 -0.384 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.937 64.291 -2.354 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.368 4.111 0.257 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.797 69.019 0.778 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.281 174.217 1.064 1
1 16 . 9 1 1 A 9 9 GLY N N 9 111.033 108.392 2.641 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.450 7.329 1.121 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.415 45.208 0.207 1
1 19 . 9 1 1 A 9 9 GLY HA2 H 9 3.959 4.096 -0.137 1
1 20 . 9 1 1 A 9 9 GLY HA3 H 9 3.959 4.100 -0.141 1
1 21 . 9 1 1 A 9 9 GLY C C 9 174.015 173.125 0.890 1
1 22 . 9 1 1 A 10 10 GLU N N 10 120.268 120.546 -0.278 1
1 23 . 9 1 1 A 10 10 GLU H H 10 8.220 8.348 -0.128 1
1 24 . 9 1 1 A 10 10 GLU CA C 10 56.694 56.580 0.114 1
1 25 . 9 1 1 A 10 10 GLU HA H 10 4.210 4.284 -0.074 1
1 26 . 9 1 1 A 10 10 GLU CB C 10 30.530 29.929 0.601 1
1 32 . 9 1 1 A 10 10 GLU C C 10 176.497 176.279 0.218 1
1 33 . 9 1 1 A 11 11 LYS N N 11 122.135 122.302 -0.167 1
1 34 . 9 1 1 A 11 11 LYS H H 11 8.387 8.446 -0.059 1
1 35 . 9 1 1 A 11 11 LYS CA C 11 53.918 52.766 1.152 1
1 36 . 9 1 1 A 11 11 LYS HA H 11 4.555 4.644 -0.089 1
1 37 . 9 1 1 A 11 11 LYS CB C 11 33.223 33.765 -0.542 1
1 49 . 9 1 1 A 11 11 LYS C C 11 174.096 176.172 -2.076 1
1 50 . 9 1 1 A 12 12 PRO CA C 12 63.645 64.489 -0.844 1
1 51 . 9 1 1 A 12 12 PRO HA H 12 4.298 4.338 -0.040 1
1 52 . 9 1 1 A 12 12 PRO CB C 12 32.332 31.811 0.521 1
1 61 . 9 1 1 A 12 12 PRO C C 12 176.462 177.058 -0.596 1
1 62 . 9 1 1 A 13 13 TYR N N 13 118.803 114.878 3.925 1
1 63 . 9 1 1 A 13 13 TYR H H 13 7.796 7.593 0.203 1
1 64 . 9 1 1 A 13 13 TYR CA C 13 57.652 57.077 0.575 1
1 65 . 9 1 1 A 13 13 TYR HA H 13 4.640 4.837 -0.197 1
1 66 . 9 1 1 A 13 13 TYR CB C 13 38.399 38.563 -0.164 1
1 77 . 9 1 1 A 13 13 TYR C C 13 174.480 174.412 0.068 1
1 78 . 9 1 1 A 14 14 LYS N N 14 123.448 121.534 1.914 1
1 79 . 9 1 1 A 14 14 LYS H H 14 8.515 7.398 1.117 1
1 80 . 9 1 1 A 14 14 LYS CA C 14 54.743 55.177 -0.434 1
1 81 . 9 1 1 A 14 14 LYS HA H 14 5.139 5.093 0.046 1
1 82 . 9 1 1 A 14 14 LYS CB C 14 35.330 35.978 -0.648 1
1 94 . 9 1 1 A 14 14 LYS C C 14 175.781 175.179 0.602 1
1 95 . 9 1 1 A 15 15 CYS N N 15 126.149 125.332 0.817 1
1 96 . 9 1 1 A 15 15 CYS H H 15 9.206 8.728 0.478 1
1 97 . 9 1 1 A 15 15 CYS CA C 15 59.419 59.812 -0.393 1
1 98 . 9 1 1 A 15 15 CYS HA H 15 4.452 4.464 -0.012 1
1 99 . 9 1 1 A 15 15 CYS CB C 15 30.193 28.406 1.787 1
1 102 . 9 1 1 A 15 15 CYS C C 15 177.815 175.471 2.344 1
1 103 . 9 1 1 A 16 16 MET N N 16 130.364 127.585 2.779 1
1 104 . 9 1 1 A 16 16 MET H H 16 9.109 8.826 0.283 1
1 105 . 9 1 1 A 16 16 MET CA C 16 57.294 58.111 -0.817 1
1 106 . 9 1 1 A 16 16 MET HA H 16 4.344 4.113 0.231 1
1 107 . 9 1 1 A 16 16 MET CB C 16 32.125 31.724 0.401 1
1 117 . 9 1 1 A 16 16 MET C C 16 176.516 177.990 -1.474 1
1 118 . 9 1 1 A 17 17 GLU N N 17 121.077 118.118 2.959 1
1 119 . 9 1 1 A 17 17 GLU H H 17 8.854 8.069 0.785 1
1 120 . 9 1 1 A 17 17 GLU CA C 17 58.171 59.690 -1.519 1
1 121 . 9 1 1 A 17 17 GLU HA H 17 4.262 3.982 0.280 1
1 122 . 9 1 1 A 17 17 GLU CB C 17 29.895 28.988 0.907 1
1 128 . 9 1 1 A 17 17 GLU C C 17 177.191 177.779 -0.588 1
1 129 . 9 1 1 A 18 18 CYS N N 18 115.700 114.522 1.178 1
1 130 . 9 1 1 A 18 18 CYS H H 18 8.241 7.761 0.480 1
1 131 . 9 1 1 A 18 18 CYS CA C 18 58.418 59.549 -1.131 1
1 132 . 9 1 1 A 18 18 CYS HA H 18 5.154 4.716 0.438 1
1 133 . 9 1 1 A 18 18 CYS CB C 18 32.494 30.007 2.487 1
1 136 . 9 1 1 A 18 18 CYS C C 18 176.450 175.538 0.912 1
1 137 . 9 1 1 A 19 19 GLY N N 19 113.303 110.039 3.264 1
1 138 . 9 1 1 A 19 19 GLY H H 19 8.052 8.251 -0.199 1
1 139 . 9 1 1 A 19 19 GLY CA C 19 46.231 45.741 0.490 1
1 140 . 9 1 1 A 19 19 GLY HA2 H 19 3.797 4.049 -0.252 1
1 141 . 9 1 1 A 19 19 GLY HA3 H 19 4.246 4.054 0.192 1
1 142 . 9 1 1 A 19 19 GLY C C 19 173.412 174.339 -0.927 1
1 143 . 9 1 1 A 20 20 LYS N N 20 123.674 120.444 3.230 1
1 144 . 9 1 1 A 20 20 LYS H H 20 8.067 7.257 0.810 1
1 145 . 9 1 1 A 20 20 LYS CA C 20 58.381 54.753 3.628 1
1 146 . 9 1 1 A 20 20 LYS HA H 20 3.928 4.634 -0.706 1
1 147 . 9 1 1 A 20 20 LYS CB C 20 33.713 34.809 -1.096 1
1 159 . 9 1 1 A 20 20 LYS C C 20 173.631 174.791 -1.160 1
1 160 . 9 1 1 A 21 21 ALA N N 21 125.402 127.103 -1.701 1
1 161 . 9 1 1 A 21 21 ALA H H 21 7.887 8.560 -0.673 1
1 162 . 9 1 1 A 21 21 ALA CA C 21 50.759 49.697 1.062 1
1 163 . 9 1 1 A 21 21 ALA HA H 21 5.081 5.556 -0.475 1
1 164 . 9 1 1 A 21 21 ALA CB C 21 21.883 22.691 -0.808 1
1 168 . 9 1 1 A 21 21 ALA C C 21 176.527 175.982 0.545 1
1 169 . 9 1 1 A 22 22 PHE N N 22 117.170 116.865 0.305 1
1 170 . 9 1 1 A 22 22 PHE H H 22 8.990 8.599 0.391 1
1 171 . 9 1 1 A 22 22 PHE CA C 22 57.350 56.446 0.904 1
1 172 . 9 1 1 A 22 22 PHE HA H 22 4.659 4.912 -0.253 1
1 173 . 9 1 1 A 22 22 PHE CB C 22 44.390 43.471 0.919 1
1 186 . 9 1 1 A 22 22 PHE C C 22 175.725 176.092 -0.367 1
1 187 . 9 1 1 A 23 23 GLY N N 23 107.188 110.649 -3.461 1
1 188 . 9 1 1 A 23 23 GLY H H 23 9.268 8.831 0.437 1
1 189 . 9 1 1 A 23 23 GLY CA C 23 46.079 47.054 -0.975 1
1 190 . 9 1 1 A 23 23 GLY HA2 H 23 4.077 3.801 0.276 1
1 191 . 9 1 1 A 23 23 GLY HA3 H 23 4.414 3.847 0.567 1
1 192 . 9 1 1 A 23 23 GLY C C 23 172.890 174.143 -1.253 1
1 193 . 9 1 1 A 24 24 ASP N N 24 114.453 119.538 -5.085 1
1 194 . 9 1 1 A 24 24 ASP H H 24 7.507 7.973 -0.466 1
1 195 . 9 1 1 A 24 24 ASP CA C 24 52.483 53.641 -1.158 1
1 196 . 9 1 1 A 24 24 ASP HA H 24 4.760 4.790 -0.030 1
1 197 . 9 1 1 A 24 24 ASP CB C 24 43.786 41.971 1.815 1
1 200 . 9 1 1 A 24 24 ASP C C 24 174.172 176.040 -1.868 1
1 201 . 9 1 1 A 25 25 ASN N N 25 119.702 121.138 -1.436 1
1 202 . 9 1 1 A 25 25 ASN H H 25 8.385 8.830 -0.445 1
1 203 . 9 1 1 A 25 25 ASN CA C 25 55.536 56.171 -0.635 1
1 204 . 9 1 1 A 25 25 ASN HA H 25 3.715 4.428 -0.713 1
1 205 . 9 1 1 A 25 25 ASN CB C 25 38.986 38.243 0.743 1
1 211 . 9 1 1 A 25 25 ASN C C 25 177.693 177.602 0.091 1
1 212 . 9 1 1 A 26 26 SER CA C 26 61.855 61.656 0.199 1
1 213 . 9 1 1 A 26 26 SER HA H 26 4.021 4.045 -0.024 1
1 214 . 9 1 1 A 26 26 SER CB C 26 62.050 63.099 -1.049 1
1 217 . 9 1 1 A 26 26 SER C C 26 177.134 177.139 -0.005 1
1 218 . 9 1 1 A 27 27 SER N N 27 118.698 114.968 3.730 1
1 219 . 9 1 1 A 27 27 SER H H 27 8.647 8.098 0.549 1
1 220 . 9 1 1 A 27 27 SER CA C 27 61.907 61.222 0.685 1
1 221 . 9 1 1 A 27 27 SER HA H 27 4.100 3.928 0.172 1
1 222 . 9 1 1 A 27 27 SER CB C 27 62.115 62.971 -0.856 1
1 225 . 9 1 1 A 27 27 SER C C 27 176.423 176.495 -0.072 1
1 226 . 9 1 1 A 28 28 CYS N N 28 122.742 120.124 2.618 1
1 227 . 9 1 1 A 28 28 CYS H H 28 6.956 7.941 -0.985 1
1 228 . 9 1 1 A 28 28 CYS CA C 28 61.820 62.033 -0.213 1
1 229 . 9 1 1 A 28 28 CYS HA H 28 2.705 4.027 -1.322 1
1 230 . 9 1 1 A 28 28 CYS CB C 28 26.539 27.858 -1.319 1
1 233 . 9 1 1 A 28 28 CYS C C 28 175.832 176.875 -1.043 1
1 234 . 9 1 1 A 29 29 THR N N 29 115.897 115.777 0.120 1
1 235 . 9 1 1 A 29 29 THR H H 29 8.427 8.378 0.049 1
1 236 . 9 1 1 A 29 29 THR CA C 29 66.778 65.493 1.285 1
1 237 . 9 1 1 A 29 29 THR HA H 29 3.884 3.915 -0.031 1
1 238 . 9 1 1 A 29 29 THR CB C 29 68.701 69.001 -0.300 1
1 244 . 9 1 1 A 29 29 THR C C 29 177.027 176.707 0.320 1
1 245 . 9 1 1 A 30 30 GLN N N 30 120.743 121.170 -0.427 1
1 246 . 9 1 1 A 30 30 GLN H H 30 8.083 7.674 0.409 1
1 247 . 9 1 1 A 30 30 GLN CA C 30 58.996 58.711 0.285 1
1 248 . 9 1 1 A 30 30 GLN HA H 30 3.908 4.039 -0.131 1
1 249 . 9 1 1 A 30 30 GLN CB C 30 28.430 28.504 -0.074 1
1 255 . 9 1 1 A 30 30 GLN C C 30 178.340 178.713 -0.373 1
1 256 . 9 1 1 A 31 31 HIS N N 31 118.530 119.866 -1.336 1
1 257 . 9 1 1 A 31 31 HIS H H 31 7.436 7.936 -0.500 1
1 258 . 9 1 1 A 31 31 HIS CA C 31 59.161 60.117 -0.956 1
1 259 . 9 1 1 A 31 31 HIS HA H 31 4.186 4.109 0.077 1
1 260 . 9 1 1 A 31 31 HIS CB C 31 28.230 29.858 -1.628 1
1 267 . 9 1 1 A 31 31 HIS C C 31 176.587 177.705 -1.118 1
1 268 . 9 1 1 A 32 32 GLN N N 32 117.813 118.440 -0.627 1
1 269 . 9 1 1 A 32 32 GLN H H 32 8.384 8.292 0.092 1
1 270 . 9 1 1 A 32 32 GLN CA C 32 59.325 58.680 0.645 1
1 271 . 9 1 1 A 32 32 GLN HA H 32 3.895 4.102 -0.207 1
1 272 . 9 1 1 A 32 32 GLN CB C 32 28.890 28.437 0.453 1
1 281 . 9 1 1 A 32 32 GLN C C 32 178.421 177.985 0.436 1
1 282 . 9 1 1 A 33 33 ARG N N 33 117.148 119.725 -2.577 1
1 283 . 9 1 1 A 33 33 ARG H H 33 7.394 8.095 -0.701 1
1 284 . 9 1 1 A 33 33 ARG CA C 33 58.234 58.510 -0.276 1
1 285 . 9 1 1 A 33 33 ARG HA H 33 4.123 4.173 -0.050 1
1 286 . 9 1 1 A 33 33 ARG CB C 33 29.993 29.931 0.062 1
1 295 . 9 1 1 A 33 33 ARG C C 33 177.784 179.424 -1.640 1
1 296 . 9 1 1 A 34 34 LEU N N 34 118.313 118.084 0.229 1
1 297 . 9 1 1 A 34 34 LEU H H 34 7.675 7.470 0.205 1
1 298 . 9 1 1 A 34 34 LEU CA C 34 56.303 57.426 -1.123 1
1 299 . 9 1 1 A 34 34 LEU HA H 34 4.058 3.956 0.102 1
1 300 . 9 1 1 A 34 34 LEU CB C 34 41.324 41.209 0.115 1
1 313 . 9 1 1 A 34 34 LEU C C 34 178.808 177.460 1.348 1
1 314 . 9 1 1 A 35 35 HIS N N 35 115.638 117.594 -1.956 1
1 315 . 9 1 1 A 35 35 HIS H H 35 7.266 7.829 -0.563 1
1 316 . 9 1 1 A 35 35 HIS CA C 35 56.022 56.833 -0.811 1
1 317 . 9 1 1 A 35 35 HIS HA H 35 4.712 4.538 0.174 1
1 318 . 9 1 1 A 35 35 HIS CB C 35 28.540 29.062 -0.522 1
1 325 . 9 1 1 A 35 35 HIS C C 35 175.711 176.765 -1.054 1
1 326 . 9 1 1 A 36 36 THR N N 36 112.637 114.952 -2.315 1
1 327 . 9 1 1 A 36 36 THR H H 36 7.882 8.301 -0.419 1
1 328 . 9 1 1 A 36 36 THR CA C 36 62.455 65.173 -2.718 1
1 329 . 9 1 1 A 36 36 THR HA H 36 4.359 4.069 0.290 1
1 330 . 9 1 1 A 36 36 THR CB C 36 69.921 69.437 0.484 1
1 336 . 9 1 1 A 36 36 THR C C 36 175.355 175.373 -0.018 1
1 337 . 9 1 1 A 37 37 GLY N N 37 110.846 106.827 4.019 1
1 338 . 9 1 1 A 37 37 GLY H H 37 8.350 7.796 0.554 1
1 339 . 9 1 1 A 37 37 GLY CA C 37 45.411 43.693 1.718 1
1 340 . 9 1 1 A 37 37 GLY HA2 H 37 4.005 4.030 -0.025 1
1 341 . 9 1 1 A 37 37 GLY HA3 H 37 4.005 4.045 -0.040 1
1 342 . 9 1 1 A 37 37 GLY C C 37 174.062 173.264 0.798 1
1 343 . 9 1 1 A 38 38 GLN N N 38 119.605 120.612 -1.007 1
1 344 . 9 1 1 A 38 38 GLN H H 38 8.139 8.242 -0.103 1
1 345 . 9 1 1 A 38 38 GLN CA C 38 55.660 56.237 -0.577 1
1 346 . 9 1 1 A 38 38 GLN HA H 38 4.330 4.314 0.016 1
1 347 . 9 1 1 A 38 38 GLN CB C 38 29.565 29.880 -0.315 1
1 353 . 9 1 1 A 38 38 GLN C C 38 175.790 174.891 0.899 1
1 354 . 9 1 1 A 39 39 ARG N N 39 123.670 126.714 -3.044 1
1 355 . 9 1 1 A 39 39 ARG H H 39 8.405 8.665 -0.260 1
1 356 . 9 1 1 A 39 39 ARG CA C 39 54.074 53.073 1.001 1
1 357 . 9 1 1 A 39 39 ARG HA H 39 4.624 4.971 -0.347 1
1 358 . 9 1 1 A 39 39 ARG CB C 39 30.193 31.344 -1.151 1
1 367 . 9 1 1 A 39 39 ARG C C 39 174.276 173.992 0.284 1
1 368 . 9 1 1 A 40 40 PRO CA C 40 63.263 62.542 0.721 1
1 369 . 9 1 1 A 40 40 PRO HA H 40 4.475 4.628 -0.153 1
1 370 . 9 1 1 A 40 40 PRO CB C 40 32.130 31.188 0.942 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.411 45.747 -0.336 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.041 4.021 0.020 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.041 4.022 0.019 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.569 174.787 -0.218 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.805 114.173 -1.368 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.148 7.854 0.294 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.937 61.669 0.268 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.368 4.395 -0.027 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.797 67.872 1.925 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.281 174.285 0.996 1
1 16 . 10 1 1 A 9 9 GLY N N 9 111.033 112.325 -1.292 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.450 8.358 0.092 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.415 45.209 0.206 1
1 19 . 10 1 1 A 9 9 GLY HA2 H 9 3.959 4.193 -0.234 1
1 20 . 10 1 1 A 9 9 GLY HA3 H 9 3.959 4.196 -0.237 1
1 21 . 10 1 1 A 9 9 GLY C C 9 174.015 172.432 1.583 1
1 22 . 10 1 1 A 10 10 GLU N N 10 120.268 125.065 -4.797 1
1 23 . 10 1 1 A 10 10 GLU H H 10 8.220 8.887 -0.667 1
1 24 . 10 1 1 A 10 10 GLU CA C 10 56.694 55.461 1.233 1
1 25 . 10 1 1 A 10 10 GLU HA H 10 4.210 4.736 -0.526 1
1 26 . 10 1 1 A 10 10 GLU CB C 10 30.530 31.246 -0.716 1
1 32 . 10 1 1 A 10 10 GLU C C 10 176.497 176.877 -0.380 1
1 33 . 10 1 1 A 11 11 LYS N N 11 122.135 122.460 -0.325 1
1 34 . 10 1 1 A 11 11 LYS H H 11 8.387 8.753 -0.366 1
1 35 . 10 1 1 A 11 11 LYS CA C 11 53.918 54.667 -0.749 1
1 36 . 10 1 1 A 11 11 LYS HA H 11 4.555 4.258 0.297 1
1 37 . 10 1 1 A 11 11 LYS CB C 11 33.223 31.898 1.325 1
1 49 . 10 1 1 A 11 11 LYS C C 11 174.096 176.640 -2.544 1
1 50 . 10 1 1 A 12 12 PRO CA C 12 63.645 64.843 -1.198 1
1 51 . 10 1 1 A 12 12 PRO HA H 12 4.298 4.313 -0.015 1
1 52 . 10 1 1 A 12 12 PRO CB C 12 32.332 31.640 0.692 1
1 61 . 10 1 1 A 12 12 PRO C C 12 176.462 177.105 -0.643 1
1 62 . 10 1 1 A 13 13 TYR N N 13 118.803 114.902 3.901 1
1 63 . 10 1 1 A 13 13 TYR H H 13 7.796 7.425 0.371 1
1 64 . 10 1 1 A 13 13 TYR CA C 13 57.652 57.212 0.440 1
1 65 . 10 1 1 A 13 13 TYR HA H 13 4.640 4.642 -0.002 1
1 66 . 10 1 1 A 13 13 TYR CB C 13 38.399 38.485 -0.086 1
1 77 . 10 1 1 A 13 13 TYR C C 13 174.480 174.682 -0.202 1
1 78 . 10 1 1 A 14 14 LYS N N 14 123.448 119.465 3.983 1
1 79 . 10 1 1 A 14 14 LYS H H 14 8.515 7.609 0.906 1
1 80 . 10 1 1 A 14 14 LYS CA C 14 54.743 54.312 0.431 1
1 81 . 10 1 1 A 14 14 LYS HA H 14 5.139 4.992 0.147 1
1 82 . 10 1 1 A 14 14 LYS CB C 14 35.330 37.343 -2.013 1
1 94 . 10 1 1 A 14 14 LYS C C 14 175.781 174.868 0.913 1
1 95 . 10 1 1 A 15 15 CYS N N 15 126.149 121.334 4.815 1
1 96 . 10 1 1 A 15 15 CYS H H 15 9.206 8.784 0.422 1
1 97 . 10 1 1 A 15 15 CYS CA C 15 59.419 58.588 0.831 1
1 98 . 10 1 1 A 15 15 CYS HA H 15 4.452 4.753 -0.301 1
1 99 . 10 1 1 A 15 15 CYS CB C 15 30.193 28.859 1.334 1
1 102 . 10 1 1 A 15 15 CYS C C 15 177.815 175.609 2.206 1
1 103 . 10 1 1 A 16 16 MET N N 16 130.364 127.810 2.554 1
1 104 . 10 1 1 A 16 16 MET H H 16 9.109 9.150 -0.041 1
1 105 . 10 1 1 A 16 16 MET CA C 16 57.294 57.880 -0.586 1
1 106 . 10 1 1 A 16 16 MET HA H 16 4.344 4.238 0.106 1
1 107 . 10 1 1 A 16 16 MET CB C 16 32.125 32.310 -0.185 1
1 117 . 10 1 1 A 16 16 MET C C 16 176.516 178.165 -1.649 1
1 118 . 10 1 1 A 17 17 GLU N N 17 121.077 118.722 2.355 1
1 119 . 10 1 1 A 17 17 GLU H H 17 8.854 8.363 0.491 1
1 120 . 10 1 1 A 17 17 GLU CA C 17 58.171 58.900 -0.729 1
1 121 . 10 1 1 A 17 17 GLU HA H 17 4.262 4.078 0.184 1
1 122 . 10 1 1 A 17 17 GLU CB C 17 29.895 29.120 0.775 1
1 128 . 10 1 1 A 17 17 GLU C C 17 177.191 178.204 -1.013 1
1 129 . 10 1 1 A 18 18 CYS N N 18 115.700 114.499 1.201 1
1 130 . 10 1 1 A 18 18 CYS H H 18 8.241 7.616 0.625 1
1 131 . 10 1 1 A 18 18 CYS CA C 18 58.418 59.523 -1.105 1
1 132 . 10 1 1 A 18 18 CYS HA H 18 5.154 4.787 0.367 1
1 133 . 10 1 1 A 18 18 CYS CB C 18 32.494 30.301 2.193 1
1 136 . 10 1 1 A 18 18 CYS C C 18 176.450 175.312 1.138 1
1 137 . 10 1 1 A 19 19 GLY N N 19 113.303 108.997 4.306 1
1 138 . 10 1 1 A 19 19 GLY H H 19 8.052 7.980 0.072 1
1 139 . 10 1 1 A 19 19 GLY CA C 19 46.231 44.849 1.382 1
1 140 . 10 1 1 A 19 19 GLY HA2 H 19 3.797 4.076 -0.279 1
1 141 . 10 1 1 A 19 19 GLY HA3 H 19 4.246 4.096 0.150 1
1 142 . 10 1 1 A 19 19 GLY C C 19 173.412 172.170 1.242 1
1 143 . 10 1 1 A 20 20 LYS N N 20 123.674 124.754 -1.080 1
1 144 . 10 1 1 A 20 20 LYS H H 20 8.067 8.612 -0.545 1
1 145 . 10 1 1 A 20 20 LYS CA C 20 58.381 55.264 3.117 1
1 146 . 10 1 1 A 20 20 LYS HA H 20 3.928 4.509 -0.581 1
1 147 . 10 1 1 A 20 20 LYS CB C 20 33.713 36.002 -2.289 1
1 159 . 10 1 1 A 20 20 LYS C C 20 173.631 173.755 -0.124 1
1 160 . 10 1 1 A 21 21 ALA N N 21 125.402 127.403 -2.001 1
1 161 . 10 1 1 A 21 21 ALA H H 21 7.887 8.462 -0.575 1
1 162 . 10 1 1 A 21 21 ALA CA C 21 50.759 51.364 -0.605 1
1 163 . 10 1 1 A 21 21 ALA HA H 21 5.081 4.779 0.302 1
1 164 . 10 1 1 A 21 21 ALA CB C 21 21.883 20.082 1.801 1
1 168 . 10 1 1 A 21 21 ALA C C 21 176.527 176.790 -0.263 1
1 169 . 10 1 1 A 22 22 PHE N N 22 117.170 119.165 -1.995 1
1 170 . 10 1 1 A 22 22 PHE H H 22 8.990 8.733 0.257 1
1 171 . 10 1 1 A 22 22 PHE CA C 22 57.350 56.343 1.007 1
1 172 . 10 1 1 A 22 22 PHE HA H 22 4.659 4.870 -0.211 1
1 173 . 10 1 1 A 22 22 PHE CB C 22 44.390 41.615 2.775 1
1 186 . 10 1 1 A 22 22 PHE C C 22 175.725 176.069 -0.344 1
1 187 . 10 1 1 A 23 23 GLY N N 23 107.188 110.877 -3.689 1
1 188 . 10 1 1 A 23 23 GLY H H 23 9.268 8.824 0.444 1
1 189 . 10 1 1 A 23 23 GLY CA C 23 46.079 47.276 -1.197 1
1 190 . 10 1 1 A 23 23 GLY HA2 H 23 4.077 3.833 0.244 1
1 191 . 10 1 1 A 23 23 GLY HA3 H 23 4.414 3.848 0.566 1
1 192 . 10 1 1 A 23 23 GLY C C 23 172.890 173.878 -0.988 1
1 193 . 10 1 1 A 24 24 ASP N N 24 114.453 119.668 -5.215 1
1 194 . 10 1 1 A 24 24 ASP H H 24 7.507 7.989 -0.482 1
1 195 . 10 1 1 A 24 24 ASP CA C 24 52.483 53.014 -0.531 1
1 196 . 10 1 1 A 24 24 ASP HA H 24 4.760 4.857 -0.097 1
1 197 . 10 1 1 A 24 24 ASP CB C 24 43.786 42.824 0.962 1
1 200 . 10 1 1 A 24 24 ASP C C 24 174.172 176.366 -2.194 1
1 201 . 10 1 1 A 25 25 ASN N N 25 119.702 125.149 -5.447 1
1 202 . 10 1 1 A 25 25 ASN H H 25 8.385 8.912 -0.527 1
1 203 . 10 1 1 A 25 25 ASN CA C 25 55.536 56.947 -1.411 1
1 204 . 10 1 1 A 25 25 ASN HA H 25 3.715 4.362 -0.647 1
1 205 . 10 1 1 A 25 25 ASN CB C 25 38.986 38.383 0.603 1
1 211 . 10 1 1 A 25 25 ASN C C 25 177.693 176.870 0.823 1
1 212 . 10 1 1 A 26 26 SER CA C 26 61.855 61.709 0.146 1
1 213 . 10 1 1 A 26 26 SER HA H 26 4.021 4.072 -0.051 1
1 214 . 10 1 1 A 26 26 SER CB C 26 62.050 62.988 -0.938 1
1 217 . 10 1 1 A 26 26 SER C C 26 177.134 177.280 -0.146 1
1 218 . 10 1 1 A 27 27 SER N N 27 118.698 116.279 2.419 1
1 219 . 10 1 1 A 27 27 SER H H 27 8.647 8.195 0.452 1
1 220 . 10 1 1 A 27 27 SER CA C 27 61.907 62.074 -0.167 1
1 221 . 10 1 1 A 27 27 SER HA H 27 4.100 4.129 -0.029 1
1 222 . 10 1 1 A 27 27 SER CB C 27 62.115 62.602 -0.487 1
1 225 . 10 1 1 A 27 27 SER C C 27 176.423 176.039 0.384 1
1 226 . 10 1 1 A 28 28 CYS N N 28 122.742 120.885 1.857 1
1 227 . 10 1 1 A 28 28 CYS H H 28 6.956 7.774 -0.818 1
1 228 . 10 1 1 A 28 28 CYS CA C 28 61.820 62.227 -0.407 1
1 229 . 10 1 1 A 28 28 CYS HA H 28 2.705 2.473 0.232 1
1 230 . 10 1 1 A 28 28 CYS CB C 28 26.539 26.529 0.010 1
1 233 . 10 1 1 A 28 28 CYS C C 28 175.832 176.815 -0.983 1
1 234 . 10 1 1 A 29 29 THR N N 29 115.897 115.332 0.565 1
1 235 . 10 1 1 A 29 29 THR H H 29 8.427 8.261 0.166 1
1 236 . 10 1 1 A 29 29 THR CA C 29 66.778 66.845 -0.067 1
1 237 . 10 1 1 A 29 29 THR HA H 29 3.884 3.770 0.114 1
1 238 . 10 1 1 A 29 29 THR CB C 29 68.701 68.423 0.278 1
1 244 . 10 1 1 A 29 29 THR C C 29 177.027 176.217 0.810 1
1 245 . 10 1 1 A 30 30 GLN N N 30 120.743 120.554 0.189 1
1 246 . 10 1 1 A 30 30 GLN H H 30 8.083 7.707 0.376 1
1 247 . 10 1 1 A 30 30 GLN CA C 30 58.996 59.275 -0.279 1
1 248 . 10 1 1 A 30 30 GLN HA H 30 3.908 3.967 -0.059 1
1 249 . 10 1 1 A 30 30 GLN CB C 30 28.430 28.568 -0.138 1
1 255 . 10 1 1 A 30 30 GLN C C 30 178.340 177.533 0.807 1
1 256 . 10 1 1 A 31 31 HIS N N 31 118.530 119.964 -1.434 1
1 257 . 10 1 1 A 31 31 HIS H H 31 7.436 7.921 -0.485 1
1 258 . 10 1 1 A 31 31 HIS CA C 31 59.161 59.668 -0.507 1
1 259 . 10 1 1 A 31 31 HIS HA H 31 4.186 3.984 0.202 1
1 260 . 10 1 1 A 31 31 HIS CB C 31 28.230 29.861 -1.631 1
1 267 . 10 1 1 A 31 31 HIS C C 31 176.587 176.729 -0.142 1
1 268 . 10 1 1 A 32 32 GLN N N 32 117.813 117.842 -0.029 1
1 269 . 10 1 1 A 32 32 GLN H H 32 8.384 8.314 0.070 1
1 270 . 10 1 1 A 32 32 GLN CA C 32 59.325 59.261 0.064 1
1 271 . 10 1 1 A 32 32 GLN HA H 32 3.895 3.801 0.094 1
1 272 . 10 1 1 A 32 32 GLN CB C 32 28.890 28.050 0.840 1
1 281 . 10 1 1 A 32 32 GLN C C 32 178.421 178.034 0.387 1
1 282 . 10 1 1 A 33 33 ARG N N 33 117.148 118.128 -0.980 1
1 283 . 10 1 1 A 33 33 ARG H H 33 7.394 8.268 -0.874 1
1 284 . 10 1 1 A 33 33 ARG CA C 33 58.234 58.777 -0.543 1
1 285 . 10 1 1 A 33 33 ARG HA H 33 4.123 4.069 0.054 1
1 286 . 10 1 1 A 33 33 ARG CB C 33 29.993 30.174 -0.181 1
1 295 . 10 1 1 A 33 33 ARG C C 33 177.784 178.594 -0.810 1
1 296 . 10 1 1 A 34 34 LEU N N 34 118.313 121.120 -2.807 1
1 297 . 10 1 1 A 34 34 LEU H H 34 7.675 7.806 -0.131 1
1 298 . 10 1 1 A 34 34 LEU CA C 34 56.303 57.831 -1.528 1
1 299 . 10 1 1 A 34 34 LEU HA H 34 4.058 3.922 0.136 1
1 300 . 10 1 1 A 34 34 LEU CB C 34 41.324 41.368 -0.044 1
1 313 . 10 1 1 A 34 34 LEU C C 34 178.808 179.104 -0.296 1
1 314 . 10 1 1 A 35 35 HIS N N 35 115.638 116.757 -1.119 1
1 315 . 10 1 1 A 35 35 HIS H H 35 7.266 7.447 -0.181 1
1 316 . 10 1 1 A 35 35 HIS CA C 35 56.022 59.160 -3.138 1
1 317 . 10 1 1 A 35 35 HIS HA H 35 4.712 4.277 0.435 1
1 318 . 10 1 1 A 35 35 HIS CB C 35 28.540 29.502 -0.962 1
1 325 . 10 1 1 A 35 35 HIS C C 35 175.711 175.956 -0.245 1
1 326 . 10 1 1 A 36 36 THR N N 36 112.637 111.558 1.079 1
1 327 . 10 1 1 A 36 36 THR H H 36 7.882 7.561 0.321 1
1 328 . 10 1 1 A 36 36 THR CA C 36 62.455 61.162 1.293 1
1 329 . 10 1 1 A 36 36 THR HA H 36 4.359 4.398 -0.039 1
1 330 . 10 1 1 A 36 36 THR CB C 36 69.921 67.013 2.908 1
1 336 . 10 1 1 A 36 36 THR C C 36 175.355 174.222 1.133 1
1 337 . 10 1 1 A 37 37 GLY N N 37 110.846 114.618 -3.772 1
1 338 . 10 1 1 A 37 37 GLY H H 37 8.350 7.996 0.354 1
1 339 . 10 1 1 A 37 37 GLY CA C 37 45.411 46.377 -0.966 1
1 340 . 10 1 1 A 37 37 GLY HA2 H 37 4.005 3.986 0.019 1
1 341 . 10 1 1 A 37 37 GLY HA3 H 37 4.005 3.990 0.015 1
1 342 . 10 1 1 A 37 37 GLY C C 37 174.062 174.736 -0.674 1
1 343 . 10 1 1 A 38 38 GLN N N 38 119.605 118.819 0.786 1
1 344 . 10 1 1 A 38 38 GLN H H 38 8.139 7.699 0.440 1
1 345 . 10 1 1 A 38 38 GLN CA C 38 55.660 55.123 0.537 1
1 346 . 10 1 1 A 38 38 GLN HA H 38 4.330 4.489 -0.159 1
1 347 . 10 1 1 A 38 38 GLN CB C 38 29.565 28.434 1.131 1
1 353 . 10 1 1 A 38 38 GLN C C 38 175.790 174.980 0.810 1
1 354 . 10 1 1 A 39 39 ARG N N 39 123.670 126.230 -2.560 1
1 355 . 10 1 1 A 39 39 ARG H H 39 8.405 8.609 -0.204 1
1 356 . 10 1 1 A 39 39 ARG CA C 39 54.074 53.507 0.567 1
1 357 . 10 1 1 A 39 39 ARG HA H 39 4.624 4.837 -0.213 1
1 358 . 10 1 1 A 39 39 ARG CB C 39 30.193 30.825 -0.632 1
1 367 . 10 1 1 A 39 39 ARG C C 39 174.276 174.333 -0.057 1
1 368 . 10 1 1 A 40 40 PRO CA C 40 63.263 64.510 -1.247 1
1 369 . 10 1 1 A 40 40 PRO HA H 40 4.475 4.484 -0.009 1
1 370 . 10 1 1 A 40 40 PRO CB C 40 32.130 32.295 -0.165 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.411 44.028 1.383 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.041 4.135 -0.094 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.041 4.137 -0.096 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.569 173.241 1.328 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.805 110.389 2.416 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.148 8.016 0.132 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.937 59.695 2.242 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.368 5.077 -0.709 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.797 71.358 -1.561 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.281 174.278 1.003 1
1 16 . 11 1 1 A 9 9 GLY N N 9 111.033 109.855 1.178 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.450 8.427 0.023 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.415 46.075 -0.660 1
1 19 . 11 1 1 A 9 9 GLY HA2 H 9 3.959 4.109 -0.150 1
1 20 . 11 1 1 A 9 9 GLY HA3 H 9 3.959 4.121 -0.162 1
1 21 . 11 1 1 A 9 9 GLY C C 9 174.015 175.411 -1.396 1
1 22 . 11 1 1 A 10 10 GLU N N 10 120.268 119.798 0.470 1
1 23 . 11 1 1 A 10 10 GLU H H 10 8.220 8.317 -0.097 1
1 24 . 11 1 1 A 10 10 GLU CA C 10 56.694 57.432 -0.738 1
1 25 . 11 1 1 A 10 10 GLU HA H 10 4.210 3.944 0.266 1
1 26 . 11 1 1 A 10 10 GLU CB C 10 30.530 28.398 2.132 1
1 32 . 11 1 1 A 10 10 GLU C C 10 176.497 175.431 1.066 1
1 33 . 11 1 1 A 11 11 LYS N N 11 122.135 112.246 9.889 1
1 34 . 11 1 1 A 11 11 LYS H H 11 8.387 8.348 0.039 1
1 35 . 11 1 1 A 11 11 LYS CA C 11 53.918 56.621 -2.703 1
1 36 . 11 1 1 A 11 11 LYS HA H 11 4.555 3.884 0.671 1
1 37 . 11 1 1 A 11 11 LYS CB C 11 33.223 29.757 3.466 1
1 49 . 11 1 1 A 11 11 LYS C C 11 174.096 176.748 -2.652 1
1 50 . 11 1 1 A 12 12 PRO CA C 12 63.645 65.346 -1.701 1
1 51 . 11 1 1 A 12 12 PRO HA H 12 4.298 4.564 -0.266 1
1 52 . 11 1 1 A 12 12 PRO CB C 12 32.332 31.893 0.439 1
1 61 . 11 1 1 A 12 12 PRO C C 12 176.462 176.436 0.026 1
1 62 . 11 1 1 A 13 13 TYR N N 13 118.803 114.236 4.567 1
1 63 . 11 1 1 A 13 13 TYR H H 13 7.796 8.110 -0.314 1
1 64 . 11 1 1 A 13 13 TYR CA C 13 57.652 56.013 1.639 1
1 65 . 11 1 1 A 13 13 TYR HA H 13 4.640 4.859 -0.219 1
1 66 . 11 1 1 A 13 13 TYR CB C 13 38.399 39.410 -1.011 1
1 77 . 11 1 1 A 13 13 TYR C C 13 174.480 174.265 0.215 1
1 78 . 11 1 1 A 14 14 LYS N N 14 123.448 125.720 -2.272 1
1 79 . 11 1 1 A 14 14 LYS H H 14 8.515 8.784 -0.269 1
1 80 . 11 1 1 A 14 14 LYS CA C 14 54.743 54.198 0.545 1
1 81 . 11 1 1 A 14 14 LYS HA H 14 5.139 4.947 0.192 1
1 82 . 11 1 1 A 14 14 LYS CB C 14 35.330 36.160 -0.830 1
1 94 . 11 1 1 A 14 14 LYS C C 14 175.781 174.719 1.062 1
1 95 . 11 1 1 A 15 15 CYS N N 15 126.149 124.291 1.858 1
1 96 . 11 1 1 A 15 15 CYS H H 15 9.206 8.943 0.263 1
1 97 . 11 1 1 A 15 15 CYS CA C 15 59.419 60.102 -0.683 1
1 98 . 11 1 1 A 15 15 CYS HA H 15 4.452 4.448 0.004 1
1 99 . 11 1 1 A 15 15 CYS CB C 15 30.193 28.683 1.510 1
1 102 . 11 1 1 A 15 15 CYS C C 15 177.815 174.900 2.915 1
1 103 . 11 1 1 A 16 16 MET N N 16 130.364 126.061 4.303 1
1 104 . 11 1 1 A 16 16 MET H H 16 9.109 8.747 0.362 1
1 105 . 11 1 1 A 16 16 MET CA C 16 57.294 56.465 0.829 1
1 106 . 11 1 1 A 16 16 MET HA H 16 4.344 4.492 -0.148 1
1 107 . 11 1 1 A 16 16 MET CB C 16 32.125 33.254 -1.129 1
1 117 . 11 1 1 A 16 16 MET C C 16 176.516 177.733 -1.217 1
1 118 . 11 1 1 A 17 17 GLU N N 17 121.077 118.654 2.423 1
1 119 . 11 1 1 A 17 17 GLU H H 17 8.854 8.239 0.615 1
1 120 . 11 1 1 A 17 17 GLU CA C 17 58.171 59.343 -1.172 1
1 121 . 11 1 1 A 17 17 GLU HA H 17 4.262 3.988 0.274 1
1 122 . 11 1 1 A 17 17 GLU CB C 17 29.895 28.853 1.042 1
1 128 . 11 1 1 A 17 17 GLU C C 17 177.191 178.291 -1.100 1
1 129 . 11 1 1 A 18 18 CYS N N 18 115.700 114.749 0.951 1
1 130 . 11 1 1 A 18 18 CYS H H 18 8.241 8.052 0.189 1
1 131 . 11 1 1 A 18 18 CYS CA C 18 58.418 59.714 -1.296 1
1 132 . 11 1 1 A 18 18 CYS HA H 18 5.154 4.677 0.477 1
1 133 . 11 1 1 A 18 18 CYS CB C 18 32.494 29.849 2.645 1
1 136 . 11 1 1 A 18 18 CYS C C 18 176.450 175.825 0.625 1
1 137 . 11 1 1 A 19 19 GLY N N 19 113.303 110.684 2.619 1
1 138 . 11 1 1 A 19 19 GLY H H 19 8.052 8.279 -0.227 1
1 139 . 11 1 1 A 19 19 GLY CA C 19 46.231 46.591 -0.360 1
1 140 . 11 1 1 A 19 19 GLY HA2 H 19 3.797 3.976 -0.179 1
1 141 . 11 1 1 A 19 19 GLY HA3 H 19 4.246 3.996 0.250 1
1 142 . 11 1 1 A 19 19 GLY C C 19 173.412 174.505 -1.093 1
1 143 . 11 1 1 A 20 20 LYS N N 20 123.674 119.294 4.380 1
1 144 . 11 1 1 A 20 20 LYS H H 20 8.067 7.863 0.204 1
1 145 . 11 1 1 A 20 20 LYS CA C 20 58.381 54.184 4.197 1
1 146 . 11 1 1 A 20 20 LYS HA H 20 3.928 4.617 -0.689 1
1 147 . 11 1 1 A 20 20 LYS CB C 20 33.713 34.195 -0.482 1
1 159 . 11 1 1 A 20 20 LYS C C 20 173.631 175.581 -1.950 1
1 160 . 11 1 1 A 21 21 ALA N N 21 125.402 125.847 -0.445 1
1 161 . 11 1 1 A 21 21 ALA H H 21 7.887 8.490 -0.603 1
1 162 . 11 1 1 A 21 21 ALA CA C 21 50.759 51.823 -1.064 1
1 163 . 11 1 1 A 21 21 ALA HA H 21 5.081 4.714 0.367 1
1 164 . 11 1 1 A 21 21 ALA CB C 21 21.883 20.134 1.749 1
1 168 . 11 1 1 A 21 21 ALA C C 21 176.527 176.843 -0.316 1
1 169 . 11 1 1 A 22 22 PHE N N 22 117.170 117.260 -0.090 1
1 170 . 11 1 1 A 22 22 PHE H H 22 8.990 8.793 0.197 1
1 171 . 11 1 1 A 22 22 PHE CA C 22 57.350 56.501 0.849 1
1 172 . 11 1 1 A 22 22 PHE HA H 22 4.659 5.070 -0.411 1
1 173 . 11 1 1 A 22 22 PHE CB C 22 44.390 43.772 0.618 1
1 186 . 11 1 1 A 22 22 PHE C C 22 175.725 175.198 0.527 1
1 187 . 11 1 1 A 23 23 GLY N N 23 107.188 110.924 -3.736 1
1 188 . 11 1 1 A 23 23 GLY H H 23 9.268 8.338 0.930 1
1 189 . 11 1 1 A 23 23 GLY CA C 23 46.079 45.878 0.201 1
1 190 . 11 1 1 A 23 23 GLY HA2 H 23 4.077 4.152 -0.075 1
1 191 . 11 1 1 A 23 23 GLY HA3 H 23 4.414 4.158 0.256 1
1 192 . 11 1 1 A 23 23 GLY C C 23 172.890 173.573 -0.683 1
1 193 . 11 1 1 A 24 24 ASP N N 24 114.453 120.318 -5.865 1
1 194 . 11 1 1 A 24 24 ASP H H 24 7.507 8.125 -0.618 1
1 195 . 11 1 1 A 24 24 ASP CA C 24 52.483 52.745 -0.262 1
1 196 . 11 1 1 A 24 24 ASP HA H 24 4.760 4.870 -0.110 1
1 197 . 11 1 1 A 24 24 ASP CB C 24 43.786 42.726 1.060 1
1 200 . 11 1 1 A 24 24 ASP C C 24 174.172 176.785 -2.613 1
1 201 . 11 1 1 A 25 25 ASN N N 25 119.702 124.503 -4.801 1
1 202 . 11 1 1 A 25 25 ASN H H 25 8.385 9.121 -0.736 1
1 203 . 11 1 1 A 25 25 ASN CA C 25 55.536 56.749 -1.213 1
1 204 . 11 1 1 A 25 25 ASN HA H 25 3.715 4.415 -0.700 1
1 205 . 11 1 1 A 25 25 ASN CB C 25 38.986 37.968 1.018 1
1 211 . 11 1 1 A 25 25 ASN C C 25 177.693 177.365 0.328 1
1 212 . 11 1 1 A 26 26 SER CA C 26 61.855 61.583 0.272 1
1 213 . 11 1 1 A 26 26 SER HA H 26 4.021 4.075 -0.054 1
1 214 . 11 1 1 A 26 26 SER CB C 26 62.050 63.148 -1.098 1
1 217 . 11 1 1 A 26 26 SER C C 26 177.134 176.646 0.488 1
1 218 . 11 1 1 A 27 27 SER N N 27 118.698 116.629 2.069 1
1 219 . 11 1 1 A 27 27 SER H H 27 8.647 7.972 0.675 1
1 220 . 11 1 1 A 27 27 SER CA C 27 61.907 61.639 0.268 1
1 221 . 11 1 1 A 27 27 SER HA H 27 4.100 4.164 -0.064 1
1 222 . 11 1 1 A 27 27 SER CB C 27 62.115 63.210 -1.095 1
1 225 . 11 1 1 A 27 27 SER C C 27 176.423 175.831 0.592 1
1 226 . 11 1 1 A 28 28 CYS N N 28 122.742 120.868 1.874 1
1 227 . 11 1 1 A 28 28 CYS H H 28 6.956 7.836 -0.880 1
1 228 . 11 1 1 A 28 28 CYS CA C 28 61.820 62.486 -0.666 1
1 229 . 11 1 1 A 28 28 CYS HA H 28 2.705 2.883 -0.178 1
1 230 . 11 1 1 A 28 28 CYS CB C 28 26.539 26.459 0.080 1
1 233 . 11 1 1 A 28 28 CYS C C 28 175.832 176.456 -0.624 1
1 234 . 11 1 1 A 29 29 THR N N 29 115.897 114.239 1.658 1
1 235 . 11 1 1 A 29 29 THR H H 29 8.427 8.490 -0.063 1
1 236 . 11 1 1 A 29 29 THR CA C 29 66.778 65.177 1.601 1
1 237 . 11 1 1 A 29 29 THR HA H 29 3.884 3.969 -0.085 1
1 238 . 11 1 1 A 29 29 THR CB C 29 68.701 68.112 0.589 1
1 244 . 11 1 1 A 29 29 THR C C 29 177.027 176.709 0.318 1
1 245 . 11 1 1 A 30 30 GLN N N 30 120.743 119.789 0.954 1
1 246 . 11 1 1 A 30 30 GLN H H 30 8.083 7.965 0.118 1
1 247 . 11 1 1 A 30 30 GLN CA C 30 58.996 58.466 0.530 1
1 248 . 11 1 1 A 30 30 GLN HA H 30 3.908 4.084 -0.176 1
1 249 . 11 1 1 A 30 30 GLN CB C 30 28.430 28.408 0.022 1
1 255 . 11 1 1 A 30 30 GLN C C 30 178.340 177.958 0.382 1
1 256 . 11 1 1 A 31 31 HIS N N 31 118.530 120.786 -2.256 1
1 257 . 11 1 1 A 31 31 HIS H H 31 7.436 8.259 -0.823 1
1 258 . 11 1 1 A 31 31 HIS CA C 31 59.161 59.804 -0.643 1
1 259 . 11 1 1 A 31 31 HIS HA H 31 4.186 4.060 0.126 1
1 260 . 11 1 1 A 31 31 HIS CB C 31 28.230 29.835 -1.605 1
1 267 . 11 1 1 A 31 31 HIS C C 31 176.587 176.681 -0.094 1
1 268 . 11 1 1 A 32 32 GLN N N 32 117.813 117.067 0.746 1
1 269 . 11 1 1 A 32 32 GLN H H 32 8.384 8.088 0.296 1
1 270 . 11 1 1 A 32 32 GLN CA C 32 59.325 58.878 0.447 1
1 271 . 11 1 1 A 32 32 GLN HA H 32 3.895 3.589 0.306 1
1 272 . 11 1 1 A 32 32 GLN CB C 32 28.890 28.300 0.590 1
1 281 . 11 1 1 A 32 32 GLN C C 32 178.421 178.014 0.407 1
1 282 . 11 1 1 A 33 33 ARG N N 33 117.148 118.408 -1.260 1
1 283 . 11 1 1 A 33 33 ARG H H 33 7.394 8.479 -1.085 1
1 284 . 11 1 1 A 33 33 ARG CA C 33 58.234 59.225 -0.991 1
1 285 . 11 1 1 A 33 33 ARG HA H 33 4.123 3.914 0.209 1
1 286 . 11 1 1 A 33 33 ARG CB C 33 29.993 30.065 -0.072 1
1 295 . 11 1 1 A 33 33 ARG C C 33 177.784 178.688 -0.904 1
1 296 . 11 1 1 A 34 34 LEU N N 34 118.313 119.241 -0.928 1
1 297 . 11 1 1 A 34 34 LEU H H 34 7.675 8.133 -0.458 1
1 298 . 11 1 1 A 34 34 LEU CA C 34 56.303 57.826 -1.523 1
1 299 . 11 1 1 A 34 34 LEU HA H 34 4.058 3.968 0.090 1
1 300 . 11 1 1 A 34 34 LEU CB C 34 41.324 41.707 -0.383 1
1 313 . 11 1 1 A 34 34 LEU C C 34 178.808 178.941 -0.133 1
1 314 . 11 1 1 A 35 35 HIS N N 35 115.638 117.377 -1.739 1
1 315 . 11 1 1 A 35 35 HIS H H 35 7.266 7.859 -0.593 1
1 316 . 11 1 1 A 35 35 HIS CA C 35 56.022 60.098 -4.076 1
1 317 . 11 1 1 A 35 35 HIS HA H 35 4.712 4.219 0.493 1
1 318 . 11 1 1 A 35 35 HIS CB C 35 28.540 30.019 -1.479 1
1 325 . 11 1 1 A 35 35 HIS C C 35 175.711 176.090 -0.379 1
1 326 . 11 1 1 A 36 36 THR N N 36 112.637 111.076 1.561 1
1 327 . 11 1 1 A 36 36 THR H H 36 7.882 7.567 0.315 1
1 328 . 11 1 1 A 36 36 THR CA C 36 62.455 61.033 1.422 1
1 329 . 11 1 1 A 36 36 THR HA H 36 4.359 4.460 -0.101 1
1 330 . 11 1 1 A 36 36 THR CB C 36 69.921 69.250 0.671 1
1 336 . 11 1 1 A 36 36 THR C C 36 175.355 173.553 1.802 1
1 337 . 11 1 1 A 37 37 GLY N N 37 110.846 111.498 -0.652 1
1 338 . 11 1 1 A 37 37 GLY H H 37 8.350 7.660 0.690 1
1 339 . 11 1 1 A 37 37 GLY CA C 37 45.411 44.780 0.631 1
1 340 . 11 1 1 A 37 37 GLY HA2 H 37 4.005 4.207 -0.202 1
1 341 . 11 1 1 A 37 37 GLY HA3 H 37 4.005 4.208 -0.203 1
1 342 . 11 1 1 A 37 37 GLY C C 37 174.062 173.005 1.057 1
1 343 . 11 1 1 A 38 38 GLN N N 38 119.605 125.747 -6.142 1
1 344 . 11 1 1 A 38 38 GLN H H 38 8.139 8.740 -0.601 1
1 345 . 11 1 1 A 38 38 GLN CA C 38 55.660 56.340 -0.680 1
1 346 . 11 1 1 A 38 38 GLN HA H 38 4.330 4.205 0.125 1
1 347 . 11 1 1 A 38 38 GLN CB C 38 29.565 29.120 0.445 1
1 353 . 11 1 1 A 38 38 GLN C C 38 175.790 175.308 0.482 1
1 354 . 11 1 1 A 39 39 ARG N N 39 123.670 124.959 -1.289 1
1 355 . 11 1 1 A 39 39 ARG H H 39 8.405 8.423 -0.018 1
1 356 . 11 1 1 A 39 39 ARG CA C 39 54.074 54.575 -0.501 1
1 357 . 11 1 1 A 39 39 ARG HA H 39 4.624 4.707 -0.083 1
1 358 . 11 1 1 A 39 39 ARG CB C 39 30.193 30.561 -0.368 1
1 367 . 11 1 1 A 39 39 ARG C C 39 174.276 174.932 -0.656 1
1 368 . 11 1 1 A 40 40 PRO CA C 40 63.263 62.674 0.589 1
1 369 . 11 1 1 A 40 40 PRO HA H 40 4.475 4.549 -0.074 1
1 370 . 11 1 1 A 40 40 PRO CB C 40 32.130 32.188 -0.058 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.411 45.800 -0.389 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.041 4.091 -0.050 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.041 4.093 -0.052 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.569 174.507 0.062 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.805 116.029 -3.224 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.148 7.603 0.545 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.937 62.231 -0.294 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.368 4.252 0.116 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.797 69.849 -0.052 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.281 174.762 0.519 1
1 16 . 12 1 1 A 9 9 GLY N N 9 111.033 113.668 -2.635 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.450 8.454 -0.004 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.415 45.017 0.398 1
1 19 . 12 1 1 A 9 9 GLY HA2 H 9 3.959 4.009 -0.050 1
1 20 . 12 1 1 A 9 9 GLY HA3 H 9 3.959 4.014 -0.055 1
1 21 . 12 1 1 A 9 9 GLY C C 9 174.015 173.182 0.833 1
1 22 . 12 1 1 A 10 10 GLU N N 10 120.268 120.990 -0.722 1
1 23 . 12 1 1 A 10 10 GLU H H 10 8.220 8.469 -0.249 1
1 24 . 12 1 1 A 10 10 GLU CA C 10 56.694 54.764 1.930 1
1 25 . 12 1 1 A 10 10 GLU HA H 10 4.210 4.911 -0.701 1
1 26 . 12 1 1 A 10 10 GLU CB C 10 30.530 33.559 -3.029 1
1 32 . 12 1 1 A 10 10 GLU C C 10 176.497 174.713 1.784 1
1 33 . 12 1 1 A 11 11 LYS N N 11 122.135 123.021 -0.886 1
1 34 . 12 1 1 A 11 11 LYS H H 11 8.387 8.439 -0.052 1
1 35 . 12 1 1 A 11 11 LYS CA C 11 53.918 53.635 0.283 1
1 36 . 12 1 1 A 11 11 LYS HA H 11 4.555 4.905 -0.350 1
1 37 . 12 1 1 A 11 11 LYS CB C 11 33.223 33.144 0.079 1
1 49 . 12 1 1 A 11 11 LYS C C 11 174.096 175.037 -0.941 1
1 50 . 12 1 1 A 12 12 PRO CA C 12 63.645 64.398 -0.753 1
1 51 . 12 1 1 A 12 12 PRO HA H 12 4.298 4.424 -0.126 1
1 52 . 12 1 1 A 12 12 PRO CB C 12 32.332 31.573 0.759 1
1 61 . 12 1 1 A 12 12 PRO C C 12 176.462 176.289 0.173 1
1 62 . 12 1 1 A 13 13 TYR N N 13 118.803 117.226 1.577 1
1 63 . 12 1 1 A 13 13 TYR H H 13 7.796 7.532 0.264 1
1 64 . 12 1 1 A 13 13 TYR CA C 13 57.652 57.338 0.314 1
1 65 . 12 1 1 A 13 13 TYR HA H 13 4.640 4.775 -0.135 1
1 66 . 12 1 1 A 13 13 TYR CB C 13 38.399 37.566 0.833 1
1 77 . 12 1 1 A 13 13 TYR C C 13 174.480 174.853 -0.373 1
1 78 . 12 1 1 A 14 14 LYS N N 14 123.448 117.702 5.746 1
1 79 . 12 1 1 A 14 14 LYS H H 14 8.515 7.490 1.025 1
1 80 . 12 1 1 A 14 14 LYS CA C 14 54.743 54.241 0.502 1
1 81 . 12 1 1 A 14 14 LYS HA H 14 5.139 4.951 0.188 1
1 82 . 12 1 1 A 14 14 LYS CB C 14 35.330 37.398 -2.068 1
1 94 . 12 1 1 A 14 14 LYS C C 14 175.781 174.672 1.109 1
1 95 . 12 1 1 A 15 15 CYS N N 15 126.149 121.304 4.845 1
1 96 . 12 1 1 A 15 15 CYS H H 15 9.206 8.789 0.417 1
1 97 . 12 1 1 A 15 15 CYS CA C 15 59.419 58.261 1.158 1
1 98 . 12 1 1 A 15 15 CYS HA H 15 4.452 4.695 -0.243 1
1 99 . 12 1 1 A 15 15 CYS CB C 15 30.193 28.475 1.718 1
1 102 . 12 1 1 A 15 15 CYS C C 15 177.815 175.545 2.270 1
1 103 . 12 1 1 A 16 16 MET N N 16 130.364 126.242 4.122 1
1 104 . 12 1 1 A 16 16 MET H H 16 9.109 8.629 0.480 1
1 105 . 12 1 1 A 16 16 MET CA C 16 57.294 54.746 2.548 1
1 106 . 12 1 1 A 16 16 MET HA H 16 4.344 4.634 -0.290 1
1 107 . 12 1 1 A 16 16 MET CB C 16 32.125 32.260 -0.135 1
1 117 . 12 1 1 A 16 16 MET C C 16 176.516 176.702 -0.186 1
1 118 . 12 1 1 A 17 17 GLU N N 17 121.077 118.801 2.276 1
1 119 . 12 1 1 A 17 17 GLU H H 17 8.854 8.039 0.815 1
1 120 . 12 1 1 A 17 17 GLU CA C 17 58.171 58.560 -0.389 1
1 121 . 12 1 1 A 17 17 GLU HA H 17 4.262 4.222 0.040 1
1 122 . 12 1 1 A 17 17 GLU CB C 17 29.895 30.682 -0.787 1
1 128 . 12 1 1 A 17 17 GLU C C 17 177.191 178.126 -0.935 1
1 129 . 12 1 1 A 18 18 CYS N N 18 115.700 115.176 0.524 1
1 130 . 12 1 1 A 18 18 CYS H H 18 8.241 8.125 0.116 1
1 131 . 12 1 1 A 18 18 CYS CA C 18 58.418 59.658 -1.240 1
1 132 . 12 1 1 A 18 18 CYS HA H 18 5.154 4.605 0.549 1
1 133 . 12 1 1 A 18 18 CYS CB C 18 32.494 29.817 2.677 1
1 136 . 12 1 1 A 18 18 CYS C C 18 176.450 175.579 0.871 1
1 137 . 12 1 1 A 19 19 GLY N N 19 113.303 110.072 3.231 1
1 138 . 12 1 1 A 19 19 GLY H H 19 8.052 8.496 -0.444 1
1 139 . 12 1 1 A 19 19 GLY CA C 19 46.231 46.599 -0.368 1
1 140 . 12 1 1 A 19 19 GLY HA2 H 19 3.797 3.990 -0.193 1
1 141 . 12 1 1 A 19 19 GLY HA3 H 19 4.246 4.023 0.223 1
1 142 . 12 1 1 A 19 19 GLY C C 19 173.412 173.803 -0.391 1
1 143 . 12 1 1 A 20 20 LYS N N 20 123.674 119.666 4.008 1
1 144 . 12 1 1 A 20 20 LYS H H 20 8.067 7.841 0.226 1
1 145 . 12 1 1 A 20 20 LYS CA C 20 58.381 54.637 3.744 1
1 146 . 12 1 1 A 20 20 LYS HA H 20 3.928 4.858 -0.930 1
1 147 . 12 1 1 A 20 20 LYS CB C 20 33.713 35.883 -2.170 1
1 159 . 12 1 1 A 20 20 LYS C C 20 173.631 174.807 -1.176 1
1 160 . 12 1 1 A 21 21 ALA N N 21 125.402 126.745 -1.343 1
1 161 . 12 1 1 A 21 21 ALA H H 21 7.887 8.398 -0.511 1
1 162 . 12 1 1 A 21 21 ALA CA C 21 50.759 51.676 -0.917 1
1 163 . 12 1 1 A 21 21 ALA HA H 21 5.081 4.843 0.238 1
1 164 . 12 1 1 A 21 21 ALA CB C 21 21.883 20.265 1.618 1
1 168 . 12 1 1 A 21 21 ALA C C 21 176.527 176.528 -0.001 1
1 169 . 12 1 1 A 22 22 PHE N N 22 117.170 118.117 -0.947 1
1 170 . 12 1 1 A 22 22 PHE H H 22 8.990 8.776 0.214 1
1 171 . 12 1 1 A 22 22 PHE CA C 22 57.350 56.194 1.156 1
1 172 . 12 1 1 A 22 22 PHE HA H 22 4.659 4.904 -0.245 1
1 173 . 12 1 1 A 22 22 PHE CB C 22 44.390 43.126 1.264 1
1 186 . 12 1 1 A 22 22 PHE C C 22 175.725 175.822 -0.097 1
1 187 . 12 1 1 A 23 23 GLY N N 23 107.188 111.571 -4.383 1
1 188 . 12 1 1 A 23 23 GLY H H 23 9.268 8.622 0.646 1
1 189 . 12 1 1 A 23 23 GLY CA C 23 46.079 46.613 -0.534 1
1 190 . 12 1 1 A 23 23 GLY HA2 H 23 4.077 3.961 0.116 1
1 191 . 12 1 1 A 23 23 GLY HA3 H 23 4.414 3.972 0.442 1
1 192 . 12 1 1 A 23 23 GLY C C 23 172.890 173.419 -0.529 1
1 193 . 12 1 1 A 24 24 ASP N N 24 114.453 119.762 -5.309 1
1 194 . 12 1 1 A 24 24 ASP H H 24 7.507 7.907 -0.400 1
1 195 . 12 1 1 A 24 24 ASP CA C 24 52.483 53.183 -0.700 1
1 196 . 12 1 1 A 24 24 ASP HA H 24 4.760 4.876 -0.116 1
1 197 . 12 1 1 A 24 24 ASP CB C 24 43.786 42.693 1.093 1
1 200 . 12 1 1 A 24 24 ASP C C 24 174.172 176.968 -2.796 1
1 201 . 12 1 1 A 25 25 ASN N N 25 119.702 122.643 -2.941 1
1 202 . 12 1 1 A 25 25 ASN H H 25 8.385 9.016 -0.631 1
1 203 . 12 1 1 A 25 25 ASN CA C 25 55.536 56.802 -1.266 1
1 204 . 12 1 1 A 25 25 ASN HA H 25 3.715 4.376 -0.661 1
1 205 . 12 1 1 A 25 25 ASN CB C 25 38.986 37.952 1.034 1
1 211 . 12 1 1 A 25 25 ASN C C 25 177.693 177.395 0.298 1
1 212 . 12 1 1 A 26 26 SER CA C 26 61.855 61.692 0.163 1
1 213 . 12 1 1 A 26 26 SER HA H 26 4.021 4.033 -0.012 1
1 214 . 12 1 1 A 26 26 SER CB C 26 62.050 63.086 -1.036 1
1 217 . 12 1 1 A 26 26 SER C C 26 177.134 177.191 -0.057 1
1 218 . 12 1 1 A 27 27 SER N N 27 118.698 116.336 2.362 1
1 219 . 12 1 1 A 27 27 SER H H 27 8.647 7.917 0.730 1
1 220 . 12 1 1 A 27 27 SER CA C 27 61.907 62.072 -0.165 1
1 221 . 12 1 1 A 27 27 SER HA H 27 4.100 4.142 -0.042 1
1 222 . 12 1 1 A 27 27 SER CB C 27 62.115 62.740 -0.625 1
1 225 . 12 1 1 A 27 27 SER C C 27 176.423 176.127 0.296 1
1 226 . 12 1 1 A 28 28 CYS N N 28 122.742 121.030 1.712 1
1 227 . 12 1 1 A 28 28 CYS H H 28 6.956 7.997 -1.041 1
1 228 . 12 1 1 A 28 28 CYS CA C 28 61.820 62.077 -0.257 1
1 229 . 12 1 1 A 28 28 CYS HA H 28 2.705 3.665 -0.960 1
1 230 . 12 1 1 A 28 28 CYS CB C 28 26.539 27.236 -0.697 1
1 233 . 12 1 1 A 28 28 CYS C C 28 175.832 177.208 -1.376 1
1 234 . 12 1 1 A 29 29 THR N N 29 115.897 115.960 -0.063 1
1 235 . 12 1 1 A 29 29 THR H H 29 8.427 7.719 0.708 1
1 236 . 12 1 1 A 29 29 THR CA C 29 66.778 66.802 -0.024 1
1 237 . 12 1 1 A 29 29 THR HA H 29 3.884 3.869 0.015 1
1 238 . 12 1 1 A 29 29 THR CB C 29 68.701 68.643 0.058 1
1 244 . 12 1 1 A 29 29 THR C C 29 177.027 176.893 0.134 1
1 245 . 12 1 1 A 30 30 GLN N N 30 120.743 118.617 2.126 1
1 246 . 12 1 1 A 30 30 GLN H H 30 8.083 8.022 0.061 1
1 247 . 12 1 1 A 30 30 GLN CA C 30 58.996 58.039 0.957 1
1 248 . 12 1 1 A 30 30 GLN HA H 30 3.908 4.126 -0.218 1
1 249 . 12 1 1 A 30 30 GLN CB C 30 28.430 27.364 1.066 1
1 255 . 12 1 1 A 30 30 GLN C C 30 178.340 177.681 0.659 1
1 256 . 12 1 1 A 31 31 HIS N N 31 118.530 120.034 -1.504 1
1 257 . 12 1 1 A 31 31 HIS H H 31 7.436 7.843 -0.407 1
1 258 . 12 1 1 A 31 31 HIS CA C 31 59.161 58.003 1.158 1
1 259 . 12 1 1 A 31 31 HIS HA H 31 4.186 4.227 -0.041 1
1 260 . 12 1 1 A 31 31 HIS CB C 31 28.230 30.452 -2.222 1
1 267 . 12 1 1 A 31 31 HIS C C 31 176.587 176.983 -0.396 1
1 268 . 12 1 1 A 32 32 GLN N N 32 117.813 118.516 -0.703 1
1 269 . 12 1 1 A 32 32 GLN H H 32 8.384 8.038 0.346 1
1 270 . 12 1 1 A 32 32 GLN CA C 32 59.325 58.583 0.742 1
1 271 . 12 1 1 A 32 32 GLN HA H 32 3.895 3.979 -0.084 1
1 272 . 12 1 1 A 32 32 GLN CB C 32 28.890 28.897 -0.007 1
1 281 . 12 1 1 A 32 32 GLN C C 32 178.421 178.140 0.281 1
1 282 . 12 1 1 A 33 33 ARG N N 33 117.148 118.321 -1.173 1
1 283 . 12 1 1 A 33 33 ARG H H 33 7.394 7.825 -0.431 1
1 284 . 12 1 1 A 33 33 ARG CA C 33 58.234 58.664 -0.430 1
1 285 . 12 1 1 A 33 33 ARG HA H 33 4.123 4.067 0.056 1
1 286 . 12 1 1 A 33 33 ARG CB C 33 29.993 29.715 0.278 1
1 295 . 12 1 1 A 33 33 ARG C C 33 177.784 177.786 -0.002 1
1 296 . 12 1 1 A 34 34 LEU N N 34 118.313 117.420 0.893 1
1 297 . 12 1 1 A 34 34 LEU H H 34 7.675 7.687 -0.012 1
1 298 . 12 1 1 A 34 34 LEU CA C 34 56.303 58.042 -1.739 1
1 299 . 12 1 1 A 34 34 LEU HA H 34 4.058 3.923 0.135 1
1 300 . 12 1 1 A 34 34 LEU CB C 34 41.324 40.925 0.399 1
1 313 . 12 1 1 A 34 34 LEU C C 34 178.808 178.749 0.059 1
1 314 . 12 1 1 A 35 35 HIS N N 35 115.638 118.522 -2.884 1
1 315 . 12 1 1 A 35 35 HIS H H 35 7.266 7.722 -0.456 1
1 316 . 12 1 1 A 35 35 HIS CA C 35 56.022 59.520 -3.498 1
1 317 . 12 1 1 A 35 35 HIS HA H 35 4.712 4.190 0.522 1
1 318 . 12 1 1 A 35 35 HIS CB C 35 28.540 29.692 -1.152 1
1 325 . 12 1 1 A 35 35 HIS C C 35 175.711 175.646 0.065 1
1 326 . 12 1 1 A 36 36 THR N N 36 112.637 111.262 1.375 1
1 327 . 12 1 1 A 36 36 THR H H 36 7.882 7.246 0.636 1
1 328 . 12 1 1 A 36 36 THR CA C 36 62.455 60.850 1.605 1
1 329 . 12 1 1 A 36 36 THR HA H 36 4.359 4.537 -0.178 1
1 330 . 12 1 1 A 36 36 THR CB C 36 69.921 71.111 -1.190 1
1 336 . 12 1 1 A 36 36 THR C C 36 175.355 174.055 1.300 1
1 337 . 12 1 1 A 37 37 GLY N N 37 110.846 108.165 2.681 1
1 338 . 12 1 1 A 37 37 GLY H H 37 8.350 8.215 0.135 1
1 339 . 12 1 1 A 37 37 GLY CA C 37 45.411 45.456 -0.045 1
1 340 . 12 1 1 A 37 37 GLY HA2 H 37 4.005 3.927 0.078 1
1 341 . 12 1 1 A 37 37 GLY HA3 H 37 4.005 3.928 0.077 1
1 342 . 12 1 1 A 37 37 GLY C C 37 174.062 175.323 -1.261 1
1 343 . 12 1 1 A 38 38 GLN N N 38 119.605 114.829 4.776 1
1 344 . 12 1 1 A 38 38 GLN H H 38 8.139 8.073 0.066 1
1 345 . 12 1 1 A 38 38 GLN CA C 38 55.660 56.943 -1.283 1
1 346 . 12 1 1 A 38 38 GLN HA H 38 4.330 3.860 0.470 1
1 347 . 12 1 1 A 38 38 GLN CB C 38 29.565 26.134 3.431 1
1 353 . 12 1 1 A 38 38 GLN C C 38 175.790 174.613 1.177 1
1 354 . 12 1 1 A 39 39 ARG N N 39 123.670 115.582 8.088 1
1 355 . 12 1 1 A 39 39 ARG H H 39 8.405 7.917 0.488 1
1 356 . 12 1 1 A 39 39 ARG CA C 39 54.074 53.810 0.264 1
1 357 . 12 1 1 A 39 39 ARG HA H 39 4.624 4.689 -0.065 1
1 358 . 12 1 1 A 39 39 ARG CB C 39 30.193 30.280 -0.087 1
1 367 . 12 1 1 A 39 39 ARG C C 39 174.276 176.078 -1.802 1
1 368 . 12 1 1 A 40 40 PRO CA C 40 63.263 64.756 -1.493 1
1 369 . 12 1 1 A 40 40 PRO HA H 40 4.475 4.406 0.069 1
1 370 . 12 1 1 A 40 40 PRO CB C 40 32.130 32.030 0.100 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.411 45.851 -0.440 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.041 4.071 -0.030 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.041 4.074 -0.033 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.569 174.892 -0.323 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.805 111.844 0.961 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.148 8.311 -0.163 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.937 64.669 -2.732 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.368 4.232 0.136 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.797 69.256 0.541 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.281 175.318 -0.037 1
1 16 . 13 1 1 A 9 9 GLY N N 9 111.033 105.596 5.437 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.450 7.511 0.939 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.415 45.354 0.061 1
1 19 . 13 1 1 A 9 9 GLY HA2 H 9 3.959 4.106 -0.147 1
1 20 . 13 1 1 A 9 9 GLY HA3 H 9 3.959 4.111 -0.152 1
1 21 . 13 1 1 A 9 9 GLY C C 9 174.015 173.933 0.082 1
1 22 . 13 1 1 A 10 10 GLU N N 10 120.268 119.185 1.083 1
1 23 . 13 1 1 A 10 10 GLU H H 10 8.220 7.963 0.257 1
1 24 . 13 1 1 A 10 10 GLU CA C 10 56.694 54.898 1.796 1
1 25 . 13 1 1 A 10 10 GLU HA H 10 4.210 4.661 -0.451 1
1 26 . 13 1 1 A 10 10 GLU CB C 10 30.530 31.814 -1.284 1
1 32 . 13 1 1 A 10 10 GLU C C 10 176.497 176.184 0.313 1
1 33 . 13 1 1 A 11 11 LYS N N 11 122.135 122.173 -0.038 1
1 34 . 13 1 1 A 11 11 LYS H H 11 8.387 8.584 -0.197 1
1 35 . 13 1 1 A 11 11 LYS CA C 11 53.918 54.794 -0.876 1
1 36 . 13 1 1 A 11 11 LYS HA H 11 4.555 4.164 0.391 1
1 37 . 13 1 1 A 11 11 LYS CB C 11 33.223 31.746 1.477 1
1 49 . 13 1 1 A 11 11 LYS C C 11 174.096 176.358 -2.262 1
1 50 . 13 1 1 A 12 12 PRO CA C 12 63.645 64.041 -0.396 1
1 51 . 13 1 1 A 12 12 PRO HA H 12 4.298 4.316 -0.018 1
1 52 . 13 1 1 A 12 12 PRO CB C 12 32.332 31.263 1.069 1
1 61 . 13 1 1 A 12 12 PRO C C 12 176.462 175.596 0.866 1
1 62 . 13 1 1 A 13 13 TYR N N 13 118.803 118.898 -0.095 1
1 63 . 13 1 1 A 13 13 TYR H H 13 7.796 7.214 0.582 1
1 64 . 13 1 1 A 13 13 TYR CA C 13 57.652 56.561 1.091 1
1 65 . 13 1 1 A 13 13 TYR HA H 13 4.640 4.994 -0.354 1
1 66 . 13 1 1 A 13 13 TYR CB C 13 38.399 38.954 -0.555 1
1 77 . 13 1 1 A 13 13 TYR C C 13 174.480 175.383 -0.903 1
1 78 . 13 1 1 A 14 14 LYS N N 14 123.448 123.224 0.224 1
1 79 . 13 1 1 A 14 14 LYS H H 14 8.515 8.660 -0.145 1
1 80 . 13 1 1 A 14 14 LYS CA C 14 54.743 54.084 0.659 1
1 81 . 13 1 1 A 14 14 LYS HA H 14 5.139 4.975 0.164 1
1 82 . 13 1 1 A 14 14 LYS CB C 14 35.330 36.620 -1.290 1
1 94 . 13 1 1 A 14 14 LYS C C 14 175.781 175.419 0.362 1
1 95 . 13 1 1 A 15 15 CYS N N 15 126.149 121.966 4.183 1
1 96 . 13 1 1 A 15 15 CYS H H 15 9.206 8.939 0.267 1
1 97 . 13 1 1 A 15 15 CYS CA C 15 59.419 60.301 -0.882 1
1 98 . 13 1 1 A 15 15 CYS HA H 15 4.452 4.532 -0.080 1
1 99 . 13 1 1 A 15 15 CYS CB C 15 30.193 28.700 1.493 1
1 102 . 13 1 1 A 15 15 CYS C C 15 177.815 176.468 1.347 1
1 103 . 13 1 1 A 16 16 MET N N 16 130.364 127.696 2.668 1
1 104 . 13 1 1 A 16 16 MET H H 16 9.109 9.062 0.047 1
1 105 . 13 1 1 A 16 16 MET CA C 16 57.294 58.268 -0.974 1
1 106 . 13 1 1 A 16 16 MET HA H 16 4.344 4.297 0.047 1
1 107 . 13 1 1 A 16 16 MET CB C 16 32.125 32.414 -0.289 1
1 117 . 13 1 1 A 16 16 MET C C 16 176.516 178.123 -1.607 1
1 118 . 13 1 1 A 17 17 GLU N N 17 121.077 119.995 1.082 1
1 119 . 13 1 1 A 17 17 GLU H H 17 8.854 8.314 0.540 1
1 120 . 13 1 1 A 17 17 GLU CA C 17 58.171 59.272 -1.101 1
1 121 . 13 1 1 A 17 17 GLU HA H 17 4.262 3.964 0.298 1
1 122 . 13 1 1 A 17 17 GLU CB C 17 29.895 29.250 0.645 1
1 128 . 13 1 1 A 17 17 GLU C C 17 177.191 177.907 -0.716 1
1 129 . 13 1 1 A 18 18 CYS N N 18 115.700 115.379 0.321 1
1 130 . 13 1 1 A 18 18 CYS H H 18 8.241 7.510 0.731 1
1 131 . 13 1 1 A 18 18 CYS CA C 18 58.418 59.521 -1.103 1
1 132 . 13 1 1 A 18 18 CYS HA H 18 5.154 4.692 0.462 1
1 133 . 13 1 1 A 18 18 CYS CB C 18 32.494 30.122 2.372 1
1 136 . 13 1 1 A 18 18 CYS C C 18 176.450 175.741 0.709 1
1 137 . 13 1 1 A 19 19 GLY N N 19 113.303 109.697 3.606 1
1 138 . 13 1 1 A 19 19 GLY H H 19 8.052 8.390 -0.338 1
1 139 . 13 1 1 A 19 19 GLY CA C 19 46.231 45.268 0.963 1
1 140 . 13 1 1 A 19 19 GLY HA2 H 19 3.797 4.060 -0.263 1
1 141 . 13 1 1 A 19 19 GLY HA3 H 19 4.246 4.092 0.154 1
1 142 . 13 1 1 A 19 19 GLY C C 19 173.412 173.218 0.194 1
1 143 . 13 1 1 A 20 20 LYS N N 20 123.674 125.322 -1.648 1
1 144 . 13 1 1 A 20 20 LYS H H 20 8.067 8.291 -0.224 1
1 145 . 13 1 1 A 20 20 LYS CA C 20 58.381 54.862 3.519 1
1 146 . 13 1 1 A 20 20 LYS HA H 20 3.928 4.794 -0.866 1
1 147 . 13 1 1 A 20 20 LYS CB C 20 33.713 36.033 -2.320 1
1 159 . 13 1 1 A 20 20 LYS C C 20 173.631 173.978 -0.347 1
1 160 . 13 1 1 A 21 21 ALA N N 21 125.402 127.202 -1.800 1
1 161 . 13 1 1 A 21 21 ALA H H 21 7.887 8.431 -0.544 1
1 162 . 13 1 1 A 21 21 ALA CA C 21 50.759 50.894 -0.135 1
1 163 . 13 1 1 A 21 21 ALA HA H 21 5.081 4.891 0.190 1
1 164 . 13 1 1 A 21 21 ALA CB C 21 21.883 20.718 1.165 1
1 168 . 13 1 1 A 21 21 ALA C C 21 176.527 176.292 0.235 1
1 169 . 13 1 1 A 22 22 PHE N N 22 117.170 117.316 -0.146 1
1 170 . 13 1 1 A 22 22 PHE H H 22 8.990 8.658 0.332 1
1 171 . 13 1 1 A 22 22 PHE CA C 22 57.350 56.481 0.869 1
1 172 . 13 1 1 A 22 22 PHE HA H 22 4.659 4.984 -0.325 1
1 173 . 13 1 1 A 22 22 PHE CB C 22 44.390 44.087 0.303 1
1 186 . 13 1 1 A 22 22 PHE C C 22 175.725 175.331 0.394 1
1 187 . 13 1 1 A 23 23 GLY N N 23 107.188 111.156 -3.968 1
1 188 . 13 1 1 A 23 23 GLY H H 23 9.268 8.529 0.739 1
1 189 . 13 1 1 A 23 23 GLY CA C 23 46.079 46.365 -0.286 1
1 190 . 13 1 1 A 23 23 GLY HA2 H 23 4.077 4.079 -0.002 1
1 191 . 13 1 1 A 23 23 GLY HA3 H 23 4.414 4.084 0.330 1
1 192 . 13 1 1 A 23 23 GLY C C 23 172.890 173.947 -1.057 1
1 193 . 13 1 1 A 24 24 ASP N N 24 114.453 117.366 -2.913 1
1 194 . 13 1 1 A 24 24 ASP H H 24 7.507 8.040 -0.533 1
1 195 . 13 1 1 A 24 24 ASP CA C 24 52.483 52.106 0.377 1
1 196 . 13 1 1 A 24 24 ASP HA H 24 4.760 4.873 -0.113 1
1 197 . 13 1 1 A 24 24 ASP CB C 24 43.786 43.084 0.702 1
1 200 . 13 1 1 A 24 24 ASP C C 24 174.172 176.447 -2.275 1
1 201 . 13 1 1 A 25 25 ASN N N 25 119.702 119.983 -0.281 1
1 202 . 13 1 1 A 25 25 ASN H H 25 8.385 8.925 -0.540 1
1 203 . 13 1 1 A 25 25 ASN CA C 25 55.536 56.897 -1.361 1
1 204 . 13 1 1 A 25 25 ASN HA H 25 3.715 4.341 -0.626 1
1 205 . 13 1 1 A 25 25 ASN CB C 25 38.986 38.625 0.361 1
1 211 . 13 1 1 A 25 25 ASN C C 25 177.693 176.859 0.834 1
1 212 . 13 1 1 A 26 26 SER CA C 26 61.855 61.687 0.168 1
1 213 . 13 1 1 A 26 26 SER HA H 26 4.021 4.246 -0.225 1
1 214 . 13 1 1 A 26 26 SER CB C 26 62.050 63.023 -0.973 1
1 217 . 13 1 1 A 26 26 SER C C 26 177.134 176.996 0.138 1
1 218 . 13 1 1 A 27 27 SER N N 27 118.698 114.608 4.090 1
1 219 . 13 1 1 A 27 27 SER H H 27 8.647 7.777 0.870 1
1 220 . 13 1 1 A 27 27 SER CA C 27 61.907 61.516 0.391 1
1 221 . 13 1 1 A 27 27 SER HA H 27 4.100 3.972 0.128 1
1 222 . 13 1 1 A 27 27 SER CB C 27 62.115 63.005 -0.890 1
1 225 . 13 1 1 A 27 27 SER C C 27 176.423 177.058 -0.635 1
1 226 . 13 1 1 A 28 28 CYS N N 28 122.742 120.291 2.451 1
1 227 . 13 1 1 A 28 28 CYS H H 28 6.956 7.811 -0.855 1
1 228 . 13 1 1 A 28 28 CYS CA C 28 61.820 62.035 -0.215 1
1 229 . 13 1 1 A 28 28 CYS HA H 28 2.705 3.531 -0.826 1
1 230 . 13 1 1 A 28 28 CYS CB C 28 26.539 26.932 -0.393 1
1 233 . 13 1 1 A 28 28 CYS C C 28 175.832 176.574 -0.742 1
1 234 . 13 1 1 A 29 29 THR N N 29 115.897 116.817 -0.920 1
1 235 . 13 1 1 A 29 29 THR H H 29 8.427 8.336 0.091 1
1 236 . 13 1 1 A 29 29 THR CA C 29 66.778 66.594 0.184 1
1 237 . 13 1 1 A 29 29 THR HA H 29 3.884 3.800 0.084 1
1 238 . 13 1 1 A 29 29 THR CB C 29 68.701 68.518 0.183 1
1 244 . 13 1 1 A 29 29 THR C C 29 177.027 176.874 0.153 1
1 245 . 13 1 1 A 30 30 GLN N N 30 120.743 119.078 1.665 1
1 246 . 13 1 1 A 30 30 GLN H H 30 8.083 7.735 0.348 1
1 247 . 13 1 1 A 30 30 GLN CA C 30 58.996 58.410 0.586 1
1 248 . 13 1 1 A 30 30 GLN HA H 30 3.908 4.003 -0.095 1
1 249 . 13 1 1 A 30 30 GLN CB C 30 28.430 28.382 0.048 1
1 255 . 13 1 1 A 30 30 GLN C C 30 178.340 177.954 0.386 1
1 256 . 13 1 1 A 31 31 HIS N N 31 118.530 120.213 -1.683 1
1 257 . 13 1 1 A 31 31 HIS H H 31 7.436 7.618 -0.182 1
1 258 . 13 1 1 A 31 31 HIS CA C 31 59.161 59.963 -0.802 1
1 259 . 13 1 1 A 31 31 HIS HA H 31 4.186 3.910 0.276 1
1 260 . 13 1 1 A 31 31 HIS CB C 31 28.230 29.864 -1.634 1
1 267 . 13 1 1 A 31 31 HIS C C 31 176.587 177.242 -0.655 1
1 268 . 13 1 1 A 32 32 GLN N N 32 117.813 118.431 -0.618 1
1 269 . 13 1 1 A 32 32 GLN H H 32 8.384 8.100 0.284 1
1 270 . 13 1 1 A 32 32 GLN CA C 32 59.325 58.688 0.637 1
1 271 . 13 1 1 A 32 32 GLN HA H 32 3.895 3.909 -0.014 1
1 272 . 13 1 1 A 32 32 GLN CB C 32 28.890 28.611 0.279 1
1 281 . 13 1 1 A 32 32 GLN C C 32 178.421 178.156 0.265 1
1 282 . 13 1 1 A 33 33 ARG N N 33 117.148 119.112 -1.964 1
1 283 . 13 1 1 A 33 33 ARG H H 33 7.394 8.138 -0.744 1
1 284 . 13 1 1 A 33 33 ARG CA C 33 58.234 59.134 -0.900 1
1 285 . 13 1 1 A 33 33 ARG HA H 33 4.123 4.057 0.066 1
1 286 . 13 1 1 A 33 33 ARG CB C 33 29.993 29.963 0.030 1
1 295 . 13 1 1 A 33 33 ARG C C 33 177.784 178.774 -0.990 1
1 296 . 13 1 1 A 34 34 LEU N N 34 118.313 118.217 0.096 1
1 297 . 13 1 1 A 34 34 LEU H H 34 7.675 7.824 -0.149 1
1 298 . 13 1 1 A 34 34 LEU CA C 34 56.303 57.380 -1.077 1
1 299 . 13 1 1 A 34 34 LEU HA H 34 4.058 4.007 0.051 1
1 300 . 13 1 1 A 34 34 LEU CB C 34 41.324 41.510 -0.186 1
1 313 . 13 1 1 A 34 34 LEU C C 34 178.808 177.602 1.206 1
1 314 . 13 1 1 A 35 35 HIS N N 35 115.638 116.834 -1.196 1
1 315 . 13 1 1 A 35 35 HIS H H 35 7.266 7.794 -0.528 1
1 316 . 13 1 1 A 35 35 HIS CA C 35 56.022 56.388 -0.366 1
1 317 . 13 1 1 A 35 35 HIS HA H 35 4.712 4.576 0.136 1
1 318 . 13 1 1 A 35 35 HIS CB C 35 28.540 28.986 -0.446 1
1 325 . 13 1 1 A 35 35 HIS C C 35 175.711 175.837 -0.126 1
1 326 . 13 1 1 A 36 36 THR N N 36 112.637 108.961 3.676 1
1 327 . 13 1 1 A 36 36 THR H H 36 7.882 7.787 0.095 1
1 328 . 13 1 1 A 36 36 THR CA C 36 62.455 61.282 1.173 1
1 329 . 13 1 1 A 36 36 THR HA H 36 4.359 4.413 -0.054 1
1 330 . 13 1 1 A 36 36 THR CB C 36 69.921 68.730 1.191 1
1 336 . 13 1 1 A 36 36 THR C C 36 175.355 174.740 0.615 1
1 337 . 13 1 1 A 37 37 GLY N N 37 110.846 111.028 -0.182 1
1 338 . 13 1 1 A 37 37 GLY H H 37 8.350 8.246 0.104 1
1 339 . 13 1 1 A 37 37 GLY CA C 37 45.411 44.674 0.737 1
1 340 . 13 1 1 A 37 37 GLY HA2 H 37 4.005 4.085 -0.080 1
1 341 . 13 1 1 A 37 37 GLY HA3 H 37 4.005 4.091 -0.086 1
1 342 . 13 1 1 A 37 37 GLY C C 37 174.062 173.053 1.009 1
1 343 . 13 1 1 A 38 38 GLN N N 38 119.605 119.819 -0.214 1
1 344 . 13 1 1 A 38 38 GLN H H 38 8.139 8.589 -0.450 1
1 345 . 13 1 1 A 38 38 GLN CA C 38 55.660 54.276 1.384 1
1 346 . 13 1 1 A 38 38 GLN HA H 38 4.330 4.772 -0.442 1
1 347 . 13 1 1 A 38 38 GLN CB C 38 29.565 30.755 -1.190 1
1 353 . 13 1 1 A 38 38 GLN C C 38 175.790 175.513 0.277 1
1 354 . 13 1 1 A 39 39 ARG N N 39 123.670 124.951 -1.281 1
1 355 . 13 1 1 A 39 39 ARG H H 39 8.405 8.860 -0.455 1
1 356 . 13 1 1 A 39 39 ARG CA C 39 54.074 56.684 -2.610 1
1 357 . 13 1 1 A 39 39 ARG HA H 39 4.624 3.855 0.769 1
1 358 . 13 1 1 A 39 39 ARG CB C 39 30.193 28.113 2.080 1
1 367 . 13 1 1 A 39 39 ARG C C 39 174.276 176.513 -2.237 1
1 368 . 13 1 1 A 40 40 PRO CA C 40 63.263 63.648 -0.385 1
1 369 . 13 1 1 A 40 40 PRO HA H 40 4.475 4.432 0.043 1
1 370 . 13 1 1 A 40 40 PRO CB C 40 32.130 32.087 0.043 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.411 47.135 -1.724 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.041 3.906 0.135 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.041 3.907 0.134 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.569 175.646 -1.077 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.805 114.539 -1.734 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.148 8.046 0.102 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.937 63.379 -1.442 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.368 4.284 0.084 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.797 69.999 -0.202 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.281 175.268 0.013 1
1 16 . 14 1 1 A 9 9 GLY N N 9 111.033 111.426 -0.393 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.450 7.917 0.533 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.415 47.505 -2.090 1
1 19 . 14 1 1 A 9 9 GLY HA2 H 9 3.959 3.883 0.076 1
1 20 . 14 1 1 A 9 9 GLY HA3 H 9 3.959 3.885 0.074 1
1 21 . 14 1 1 A 9 9 GLY C C 9 174.015 173.581 0.434 1
1 22 . 14 1 1 A 10 10 GLU N N 10 120.268 121.683 -1.415 1
1 23 . 14 1 1 A 10 10 GLU H H 10 8.220 8.193 0.027 1
1 24 . 14 1 1 A 10 10 GLU CA C 10 56.694 54.440 2.254 1
1 25 . 14 1 1 A 10 10 GLU HA H 10 4.210 5.014 -0.804 1
1 26 . 14 1 1 A 10 10 GLU CB C 10 30.530 33.019 -2.489 1
1 32 . 14 1 1 A 10 10 GLU C C 10 176.497 175.117 1.380 1
1 33 . 14 1 1 A 11 11 LYS N N 11 122.135 119.270 2.865 1
1 34 . 14 1 1 A 11 11 LYS H H 11 8.387 8.579 -0.192 1
1 35 . 14 1 1 A 11 11 LYS CA C 11 53.918 54.688 -0.770 1
1 36 . 14 1 1 A 11 11 LYS HA H 11 4.555 4.686 -0.131 1
1 37 . 14 1 1 A 11 11 LYS CB C 11 33.223 32.938 0.285 1
1 49 . 14 1 1 A 11 11 LYS C C 11 174.096 176.552 -2.456 1
1 50 . 14 1 1 A 12 12 PRO CA C 12 63.645 63.863 -0.218 1
1 51 . 14 1 1 A 12 12 PRO HA H 12 4.298 4.365 -0.067 1
1 52 . 14 1 1 A 12 12 PRO CB C 12 32.332 31.155 1.177 1
1 61 . 14 1 1 A 12 12 PRO C C 12 176.462 175.581 0.881 1
1 62 . 14 1 1 A 13 13 TYR N N 13 118.803 117.773 1.030 1
1 63 . 14 1 1 A 13 13 TYR H H 13 7.796 7.845 -0.049 1
1 64 . 14 1 1 A 13 13 TYR CA C 13 57.652 56.978 0.674 1
1 65 . 14 1 1 A 13 13 TYR HA H 13 4.640 4.810 -0.170 1
1 66 . 14 1 1 A 13 13 TYR CB C 13 38.399 37.351 1.048 1
1 77 . 14 1 1 A 13 13 TYR C C 13 174.480 174.492 -0.012 1
1 78 . 14 1 1 A 14 14 LYS N N 14 123.448 121.472 1.976 1
1 79 . 14 1 1 A 14 14 LYS H H 14 8.515 7.542 0.973 1
1 80 . 14 1 1 A 14 14 LYS CA C 14 54.743 54.293 0.450 1
1 81 . 14 1 1 A 14 14 LYS HA H 14 5.139 5.083 0.056 1
1 82 . 14 1 1 A 14 14 LYS CB C 14 35.330 36.182 -0.852 1
1 94 . 14 1 1 A 14 14 LYS C C 14 175.781 174.792 0.989 1
1 95 . 14 1 1 A 15 15 CYS N N 15 126.149 124.347 1.802 1
1 96 . 14 1 1 A 15 15 CYS H H 15 9.206 8.537 0.669 1
1 97 . 14 1 1 A 15 15 CYS CA C 15 59.419 60.189 -0.770 1
1 98 . 14 1 1 A 15 15 CYS HA H 15 4.452 4.478 -0.026 1
1 99 . 14 1 1 A 15 15 CYS CB C 15 30.193 28.779 1.414 1
1 102 . 14 1 1 A 15 15 CYS C C 15 177.815 176.225 1.590 1
1 103 . 14 1 1 A 16 16 MET N N 16 130.364 125.710 4.654 1
1 104 . 14 1 1 A 16 16 MET H H 16 9.109 8.842 0.267 1
1 105 . 14 1 1 A 16 16 MET CA C 16 57.294 57.232 0.062 1
1 106 . 14 1 1 A 16 16 MET HA H 16 4.344 4.437 -0.093 1
1 107 . 14 1 1 A 16 16 MET CB C 16 32.125 33.258 -1.133 1
1 117 . 14 1 1 A 16 16 MET C C 16 176.516 177.896 -1.380 1
1 118 . 14 1 1 A 17 17 GLU N N 17 121.077 120.305 0.772 1
1 119 . 14 1 1 A 17 17 GLU H H 17 8.854 8.232 0.622 1
1 120 . 14 1 1 A 17 17 GLU CA C 17 58.171 59.568 -1.397 1
1 121 . 14 1 1 A 17 17 GLU HA H 17 4.262 3.956 0.306 1
1 122 . 14 1 1 A 17 17 GLU CB C 17 29.895 29.222 0.673 1
1 128 . 14 1 1 A 17 17 GLU C C 17 177.191 178.006 -0.815 1
1 129 . 14 1 1 A 18 18 CYS N N 18 115.700 115.462 0.238 1
1 130 . 14 1 1 A 18 18 CYS H H 18 8.241 7.581 0.660 1
1 131 . 14 1 1 A 18 18 CYS CA C 18 58.418 59.641 -1.223 1
1 132 . 14 1 1 A 18 18 CYS HA H 18 5.154 4.715 0.439 1
1 133 . 14 1 1 A 18 18 CYS CB C 18 32.494 30.049 2.445 1
1 136 . 14 1 1 A 18 18 CYS C C 18 176.450 175.591 0.859 1
1 137 . 14 1 1 A 19 19 GLY N N 19 113.303 109.574 3.729 1
1 138 . 14 1 1 A 19 19 GLY H H 19 8.052 8.250 -0.198 1
1 139 . 14 1 1 A 19 19 GLY CA C 19 46.231 45.003 1.228 1
1 140 . 14 1 1 A 19 19 GLY HA2 H 19 3.797 4.094 -0.297 1
1 141 . 14 1 1 A 19 19 GLY HA3 H 19 4.246 4.123 0.123 1
1 142 . 14 1 1 A 19 19 GLY C C 19 173.412 172.931 0.481 1
1 143 . 14 1 1 A 20 20 LYS N N 20 123.674 125.659 -1.985 1
1 144 . 14 1 1 A 20 20 LYS H H 20 8.067 8.521 -0.454 1
1 145 . 14 1 1 A 20 20 LYS CA C 20 58.381 55.339 3.042 1
1 146 . 14 1 1 A 20 20 LYS HA H 20 3.928 4.722 -0.794 1
1 147 . 14 1 1 A 20 20 LYS CB C 20 33.713 36.243 -2.530 1
1 159 . 14 1 1 A 20 20 LYS C C 20 173.631 174.024 -0.393 1
1 160 . 14 1 1 A 21 21 ALA N N 21 125.402 127.621 -2.219 1
1 161 . 14 1 1 A 21 21 ALA H H 21 7.887 8.552 -0.665 1
1 162 . 14 1 1 A 21 21 ALA CA C 21 50.759 49.937 0.822 1
1 163 . 14 1 1 A 21 21 ALA HA H 21 5.081 5.593 -0.512 1
1 164 . 14 1 1 A 21 21 ALA CB C 21 21.883 22.271 -0.388 1
1 168 . 14 1 1 A 21 21 ALA C C 21 176.527 176.339 0.188 1
1 169 . 14 1 1 A 22 22 PHE N N 22 117.170 118.871 -1.701 1
1 170 . 14 1 1 A 22 22 PHE H H 22 8.990 8.958 0.032 1
1 171 . 14 1 1 A 22 22 PHE CA C 22 57.350 56.540 0.810 1
1 172 . 14 1 1 A 22 22 PHE HA H 22 4.659 4.996 -0.337 1
1 173 . 14 1 1 A 22 22 PHE CB C 22 44.390 43.214 1.176 1
1 186 . 14 1 1 A 22 22 PHE C C 22 175.725 176.093 -0.368 1
1 187 . 14 1 1 A 23 23 GLY N N 23 107.188 110.233 -3.045 1
1 188 . 14 1 1 A 23 23 GLY H H 23 9.268 8.737 0.531 1
1 189 . 14 1 1 A 23 23 GLY CA C 23 46.079 46.887 -0.808 1
1 190 . 14 1 1 A 23 23 GLY HA2 H 23 4.077 3.942 0.135 1
1 191 . 14 1 1 A 23 23 GLY HA3 H 23 4.414 3.946 0.468 1
1 192 . 14 1 1 A 23 23 GLY C C 23 172.890 173.725 -0.835 1
1 193 . 14 1 1 A 24 24 ASP N N 24 114.453 119.972 -5.519 1
1 194 . 14 1 1 A 24 24 ASP H H 24 7.507 8.095 -0.588 1
1 195 . 14 1 1 A 24 24 ASP CA C 24 52.483 53.557 -1.074 1
1 196 . 14 1 1 A 24 24 ASP HA H 24 4.760 4.769 -0.009 1
1 197 . 14 1 1 A 24 24 ASP CB C 24 43.786 42.597 1.189 1
1 200 . 14 1 1 A 24 24 ASP C C 24 174.172 177.121 -2.949 1
1 201 . 14 1 1 A 25 25 ASN N N 25 119.702 124.045 -4.343 1
1 202 . 14 1 1 A 25 25 ASN H H 25 8.385 9.009 -0.624 1
1 203 . 14 1 1 A 25 25 ASN CA C 25 55.536 56.191 -0.655 1
1 204 . 14 1 1 A 25 25 ASN HA H 25 3.715 4.420 -0.705 1
1 205 . 14 1 1 A 25 25 ASN CB C 25 38.986 37.550 1.436 1
1 211 . 14 1 1 A 25 25 ASN C C 25 177.693 177.128 0.565 1
1 212 . 14 1 1 A 26 26 SER CA C 26 61.855 62.053 -0.198 1
1 213 . 14 1 1 A 26 26 SER HA H 26 4.021 4.110 -0.089 1
1 214 . 14 1 1 A 26 26 SER CB C 26 62.050 62.494 -0.444 1
1 217 . 14 1 1 A 26 26 SER C C 26 177.134 176.385 0.749 1
1 218 . 14 1 1 A 27 27 SER N N 27 118.698 115.479 3.219 1
1 219 . 14 1 1 A 27 27 SER H H 27 8.647 8.168 0.479 1
1 220 . 14 1 1 A 27 27 SER CA C 27 61.907 61.641 0.266 1
1 221 . 14 1 1 A 27 27 SER HA H 27 4.100 3.985 0.115 1
1 222 . 14 1 1 A 27 27 SER CB C 27 62.115 63.023 -0.908 1
1 225 . 14 1 1 A 27 27 SER C C 27 176.423 176.549 -0.126 1
1 226 . 14 1 1 A 28 28 CYS N N 28 122.742 118.998 3.744 1
1 227 . 14 1 1 A 28 28 CYS H H 28 6.956 7.720 -0.764 1
1 228 . 14 1 1 A 28 28 CYS CA C 28 61.820 62.457 -0.637 1
1 229 . 14 1 1 A 28 28 CYS HA H 28 2.705 2.794 -0.089 1
1 230 . 14 1 1 A 28 28 CYS CB C 28 26.539 26.745 -0.206 1
1 233 . 14 1 1 A 28 28 CYS C C 28 175.832 176.940 -1.108 1
1 234 . 14 1 1 A 29 29 THR N N 29 115.897 116.284 -0.387 1
1 235 . 14 1 1 A 29 29 THR H H 29 8.427 7.970 0.457 1
1 236 . 14 1 1 A 29 29 THR CA C 29 66.778 66.525 0.253 1
1 237 . 14 1 1 A 29 29 THR HA H 29 3.884 3.763 0.121 1
1 238 . 14 1 1 A 29 29 THR CB C 29 68.701 68.437 0.264 1
1 244 . 14 1 1 A 29 29 THR C C 29 177.027 176.511 0.516 1
1 245 . 14 1 1 A 30 30 GLN N N 30 120.743 118.220 2.523 1
1 246 . 14 1 1 A 30 30 GLN H H 30 8.083 7.933 0.150 1
1 247 . 14 1 1 A 30 30 GLN CA C 30 58.996 59.253 -0.257 1
1 248 . 14 1 1 A 30 30 GLN HA H 30 3.908 3.875 0.033 1
1 249 . 14 1 1 A 30 30 GLN CB C 30 28.430 28.255 0.175 1
1 255 . 14 1 1 A 30 30 GLN C C 30 178.340 178.471 -0.131 1
1 256 . 14 1 1 A 31 31 HIS N N 31 118.530 119.130 -0.600 1
1 257 . 14 1 1 A 31 31 HIS H H 31 7.436 7.372 0.064 1
1 258 . 14 1 1 A 31 31 HIS CA C 31 59.161 59.627 -0.466 1
1 259 . 14 1 1 A 31 31 HIS HA H 31 4.186 4.161 0.025 1
1 260 . 14 1 1 A 31 31 HIS CB C 31 28.230 29.376 -1.146 1
1 267 . 14 1 1 A 31 31 HIS C C 31 176.587 176.702 -0.115 1
1 268 . 14 1 1 A 32 32 GLN N N 32 117.813 117.373 0.440 1
1 269 . 14 1 1 A 32 32 GLN H H 32 8.384 8.066 0.318 1
1 270 . 14 1 1 A 32 32 GLN CA C 32 59.325 58.979 0.346 1
1 271 . 14 1 1 A 32 32 GLN HA H 32 3.895 3.787 0.108 1
1 272 . 14 1 1 A 32 32 GLN CB C 32 28.890 28.276 0.614 1
1 281 . 14 1 1 A 32 32 GLN C C 32 178.421 178.737 -0.316 1
1 282 . 14 1 1 A 33 33 ARG N N 33 117.148 120.089 -2.941 1
1 283 . 14 1 1 A 33 33 ARG H H 33 7.394 7.830 -0.436 1
1 284 . 14 1 1 A 33 33 ARG CA C 33 58.234 59.056 -0.822 1
1 285 . 14 1 1 A 33 33 ARG HA H 33 4.123 4.045 0.078 1
1 286 . 14 1 1 A 33 33 ARG CB C 33 29.993 30.512 -0.519 1
1 295 . 14 1 1 A 33 33 ARG C C 33 177.784 178.385 -0.601 1
1 296 . 14 1 1 A 34 34 LEU N N 34 118.313 119.614 -1.301 1
1 297 . 14 1 1 A 34 34 LEU H H 34 7.675 8.138 -0.463 1
1 298 . 14 1 1 A 34 34 LEU CA C 34 56.303 57.730 -1.427 1
1 299 . 14 1 1 A 34 34 LEU HA H 34 4.058 3.944 0.114 1
1 300 . 14 1 1 A 34 34 LEU CB C 34 41.324 41.470 -0.146 1
1 313 . 14 1 1 A 34 34 LEU C C 34 178.808 179.558 -0.750 1
1 314 . 14 1 1 A 35 35 HIS N N 35 115.638 115.891 -0.253 1
1 315 . 14 1 1 A 35 35 HIS H H 35 7.266 7.316 -0.050 1
1 316 . 14 1 1 A 35 35 HIS CA C 35 56.022 60.056 -4.034 1
1 317 . 14 1 1 A 35 35 HIS HA H 35 4.712 4.262 0.450 1
1 318 . 14 1 1 A 35 35 HIS CB C 35 28.540 30.425 -1.885 1
1 325 . 14 1 1 A 35 35 HIS C C 35 175.711 175.712 -0.001 1
1 326 . 14 1 1 A 36 36 THR N N 36 112.637 114.133 -1.496 1
1 327 . 14 1 1 A 36 36 THR H H 36 7.882 7.897 -0.015 1
1 328 . 14 1 1 A 36 36 THR CA C 36 62.455 62.442 0.013 1
1 329 . 14 1 1 A 36 36 THR HA H 36 4.359 4.265 0.094 1
1 330 . 14 1 1 A 36 36 THR CB C 36 69.921 69.571 0.350 1
1 336 . 14 1 1 A 36 36 THR C C 36 175.355 174.701 0.654 1
1 337 . 14 1 1 A 37 37 GLY N N 37 110.846 113.842 -2.996 1
1 338 . 14 1 1 A 37 37 GLY H H 37 8.350 8.414 -0.064 1
1 339 . 14 1 1 A 37 37 GLY CA C 37 45.411 45.398 0.013 1
1 340 . 14 1 1 A 37 37 GLY HA2 H 37 4.005 4.055 -0.050 1
1 341 . 14 1 1 A 37 37 GLY HA3 H 37 4.005 4.058 -0.053 1
1 342 . 14 1 1 A 37 37 GLY C C 37 174.062 174.448 -0.386 1
1 343 . 14 1 1 A 38 38 GLN N N 38 119.605 122.608 -3.003 1
1 344 . 14 1 1 A 38 38 GLN H H 38 8.139 9.094 -0.955 1
1 345 . 14 1 1 A 38 38 GLN CA C 38 55.660 56.915 -1.255 1
1 346 . 14 1 1 A 38 38 GLN HA H 38 4.330 4.491 -0.161 1
1 347 . 14 1 1 A 38 38 GLN CB C 38 29.565 31.015 -1.450 1
1 353 . 14 1 1 A 38 38 GLN C C 38 175.790 175.101 0.689 1
1 354 . 14 1 1 A 39 39 ARG N N 39 123.670 118.243 5.427 1
1 355 . 14 1 1 A 39 39 ARG H H 39 8.405 7.645 0.760 1
1 356 . 14 1 1 A 39 39 ARG CA C 39 54.074 53.867 0.207 1
1 357 . 14 1 1 A 39 39 ARG HA H 39 4.624 4.715 -0.091 1
1 358 . 14 1 1 A 39 39 ARG CB C 39 30.193 33.655 -3.462 1
1 367 . 14 1 1 A 39 39 ARG C C 39 174.276 173.226 1.050 1
1 368 . 14 1 1 A 40 40 PRO CA C 40 63.263 62.764 0.499 1
1 369 . 14 1 1 A 40 40 PRO HA H 40 4.475 4.488 -0.013 1
1 370 . 14 1 1 A 40 40 PRO CB C 40 32.130 31.861 0.269 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.411 46.072 -0.661 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.041 3.938 0.103 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.041 3.938 0.103 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.569 173.165 1.404 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.805 118.166 -5.361 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.148 8.619 -0.471 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.937 59.664 2.273 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.368 5.043 -0.675 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.797 71.614 -1.817 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.281 173.176 2.105 1
1 16 . 15 1 1 A 9 9 GLY N N 9 111.033 114.387 -3.354 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.450 8.317 0.133 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.415 45.769 -0.354 1
1 19 . 15 1 1 A 9 9 GLY HA2 H 9 3.959 4.213 -0.254 1
1 20 . 15 1 1 A 9 9 GLY HA3 H 9 3.959 4.217 -0.258 1
1 21 . 15 1 1 A 9 9 GLY C C 9 174.015 172.981 1.034 1
1 22 . 15 1 1 A 10 10 GLU N N 10 120.268 119.575 0.693 1
1 23 . 15 1 1 A 10 10 GLU H H 10 8.220 8.516 -0.296 1
1 24 . 15 1 1 A 10 10 GLU CA C 10 56.694 55.055 1.639 1
1 25 . 15 1 1 A 10 10 GLU HA H 10 4.210 4.646 -0.436 1
1 26 . 15 1 1 A 10 10 GLU CB C 10 30.530 29.221 1.309 1
1 32 . 15 1 1 A 10 10 GLU C C 10 176.497 176.667 -0.170 1
1 33 . 15 1 1 A 11 11 LYS N N 11 122.135 121.852 0.283 1
1 34 . 15 1 1 A 11 11 LYS H H 11 8.387 7.293 1.094 1
1 35 . 15 1 1 A 11 11 LYS CA C 11 53.918 54.975 -1.057 1
1 36 . 15 1 1 A 11 11 LYS HA H 11 4.555 4.110 0.445 1
1 37 . 15 1 1 A 11 11 LYS CB C 11 33.223 31.626 1.597 1
1 49 . 15 1 1 A 11 11 LYS C C 11 174.096 176.581 -2.485 1
1 50 . 15 1 1 A 12 12 PRO CA C 12 63.645 65.048 -1.403 1
1 51 . 15 1 1 A 12 12 PRO HA H 12 4.298 4.349 -0.051 1
1 52 . 15 1 1 A 12 12 PRO CB C 12 32.332 31.775 0.557 1
1 61 . 15 1 1 A 12 12 PRO C C 12 176.462 177.175 -0.713 1
1 62 . 15 1 1 A 13 13 TYR N N 13 118.803 115.021 3.782 1
1 63 . 15 1 1 A 13 13 TYR H H 13 7.796 7.247 0.549 1
1 64 . 15 1 1 A 13 13 TYR CA C 13 57.652 57.336 0.316 1
1 65 . 15 1 1 A 13 13 TYR HA H 13 4.640 4.602 0.038 1
1 66 . 15 1 1 A 13 13 TYR CB C 13 38.399 38.417 -0.018 1
1 77 . 15 1 1 A 13 13 TYR C C 13 174.480 174.547 -0.067 1
1 78 . 15 1 1 A 14 14 LYS N N 14 123.448 121.906 1.542 1
1 79 . 15 1 1 A 14 14 LYS H H 14 8.515 7.392 1.123 1
1 80 . 15 1 1 A 14 14 LYS CA C 14 54.743 54.737 0.006 1
1 81 . 15 1 1 A 14 14 LYS HA H 14 5.139 5.055 0.084 1
1 82 . 15 1 1 A 14 14 LYS CB C 14 35.330 36.048 -0.718 1
1 94 . 15 1 1 A 14 14 LYS C C 14 175.781 174.728 1.053 1
1 95 . 15 1 1 A 15 15 CYS N N 15 126.149 124.205 1.944 1
1 96 . 15 1 1 A 15 15 CYS H H 15 9.206 9.002 0.204 1
1 97 . 15 1 1 A 15 15 CYS CA C 15 59.419 60.109 -0.690 1
1 98 . 15 1 1 A 15 15 CYS HA H 15 4.452 4.375 0.077 1
1 99 . 15 1 1 A 15 15 CYS CB C 15 30.193 28.848 1.345 1
1 102 . 15 1 1 A 15 15 CYS C C 15 177.815 175.409 2.406 1
1 103 . 15 1 1 A 16 16 MET N N 16 130.364 125.980 4.384 1
1 104 . 15 1 1 A 16 16 MET H H 16 9.109 8.424 0.685 1
1 105 . 15 1 1 A 16 16 MET CA C 16 57.294 54.620 2.674 1
1 106 . 15 1 1 A 16 16 MET HA H 16 4.344 4.669 -0.325 1
1 107 . 15 1 1 A 16 16 MET CB C 16 32.125 33.002 -0.877 1
1 117 . 15 1 1 A 16 16 MET C C 16 176.516 176.639 -0.123 1
1 118 . 15 1 1 A 17 17 GLU N N 17 121.077 118.877 2.200 1
1 119 . 15 1 1 A 17 17 GLU H H 17 8.854 8.006 0.848 1
1 120 . 15 1 1 A 17 17 GLU CA C 17 58.171 58.381 -0.210 1
1 121 . 15 1 1 A 17 17 GLU HA H 17 4.262 4.336 -0.074 1
1 122 . 15 1 1 A 17 17 GLU CB C 17 29.895 30.435 -0.540 1
1 128 . 15 1 1 A 17 17 GLU C C 17 177.191 178.008 -0.817 1
1 129 . 15 1 1 A 18 18 CYS N N 18 115.700 115.028 0.672 1
1 130 . 15 1 1 A 18 18 CYS H H 18 8.241 8.047 0.194 1
1 131 . 15 1 1 A 18 18 CYS CA C 18 58.418 59.505 -1.087 1
1 132 . 15 1 1 A 18 18 CYS HA H 18 5.154 4.800 0.354 1
1 133 . 15 1 1 A 18 18 CYS CB C 18 32.494 30.296 2.198 1
1 136 . 15 1 1 A 18 18 CYS C C 18 176.450 175.805 0.645 1
1 137 . 15 1 1 A 19 19 GLY N N 19 113.303 110.178 3.125 1
1 138 . 15 1 1 A 19 19 GLY H H 19 8.052 8.361 -0.309 1
1 139 . 15 1 1 A 19 19 GLY CA C 19 46.231 46.256 -0.025 1
1 140 . 15 1 1 A 19 19 GLY HA2 H 19 3.797 3.982 -0.185 1
1 141 . 15 1 1 A 19 19 GLY HA3 H 19 4.246 3.983 0.263 1
1 142 . 15 1 1 A 19 19 GLY C C 19 173.412 174.222 -0.810 1
1 143 . 15 1 1 A 20 20 LYS N N 20 123.674 119.195 4.479 1
1 144 . 15 1 1 A 20 20 LYS H H 20 8.067 7.882 0.185 1
1 145 . 15 1 1 A 20 20 LYS CA C 20 58.381 54.717 3.664 1
1 146 . 15 1 1 A 20 20 LYS HA H 20 3.928 4.597 -0.669 1
1 147 . 15 1 1 A 20 20 LYS CB C 20 33.713 34.274 -0.561 1
1 159 . 15 1 1 A 20 20 LYS C C 20 173.631 175.057 -1.426 1
1 160 . 15 1 1 A 21 21 ALA N N 21 125.402 120.428 4.974 1
1 161 . 15 1 1 A 21 21 ALA H H 21 7.887 7.732 0.155 1
1 162 . 15 1 1 A 21 21 ALA CA C 21 50.759 51.028 -0.269 1
1 163 . 15 1 1 A 21 21 ALA HA H 21 5.081 4.982 0.099 1
1 164 . 15 1 1 A 21 21 ALA CB C 21 21.883 21.601 0.282 1
1 168 . 15 1 1 A 21 21 ALA C C 21 176.527 175.263 1.264 1
1 169 . 15 1 1 A 22 22 PHE N N 22 117.170 119.993 -2.823 1
1 170 . 15 1 1 A 22 22 PHE H H 22 8.990 8.873 0.117 1
1 171 . 15 1 1 A 22 22 PHE CA C 22 57.350 56.663 0.687 1
1 172 . 15 1 1 A 22 22 PHE HA H 22 4.659 5.098 -0.439 1
1 173 . 15 1 1 A 22 22 PHE CB C 22 44.390 43.676 0.714 1
1 186 . 15 1 1 A 22 22 PHE C C 22 175.725 176.031 -0.306 1
1 187 . 15 1 1 A 23 23 GLY N N 23 107.188 110.054 -2.866 1
1 188 . 15 1 1 A 23 23 GLY H H 23 9.268 8.755 0.513 1
1 189 . 15 1 1 A 23 23 GLY CA C 23 46.079 46.788 -0.709 1
1 190 . 15 1 1 A 23 23 GLY HA2 H 23 4.077 3.945 0.132 1
1 191 . 15 1 1 A 23 23 GLY HA3 H 23 4.414 3.949 0.465 1
1 192 . 15 1 1 A 23 23 GLY C C 23 172.890 173.720 -0.830 1
1 193 . 15 1 1 A 24 24 ASP N N 24 114.453 119.333 -4.880 1
1 194 . 15 1 1 A 24 24 ASP H H 24 7.507 8.015 -0.508 1
1 195 . 15 1 1 A 24 24 ASP CA C 24 52.483 53.328 -0.845 1
1 196 . 15 1 1 A 24 24 ASP HA H 24 4.760 4.886 -0.126 1
1 197 . 15 1 1 A 24 24 ASP CB C 24 43.786 42.310 1.476 1
1 200 . 15 1 1 A 24 24 ASP C C 24 174.172 176.713 -2.541 1
1 201 . 15 1 1 A 25 25 ASN N N 25 119.702 121.452 -1.750 1
1 202 . 15 1 1 A 25 25 ASN H H 25 8.385 8.979 -0.594 1
1 203 . 15 1 1 A 25 25 ASN CA C 25 55.536 56.654 -1.118 1
1 204 . 15 1 1 A 25 25 ASN HA H 25 3.715 4.443 -0.728 1
1 205 . 15 1 1 A 25 25 ASN CB C 25 38.986 38.010 0.976 1
1 211 . 15 1 1 A 25 25 ASN C C 25 177.693 177.374 0.319 1
1 212 . 15 1 1 A 26 26 SER CA C 26 61.855 61.578 0.277 1
1 213 . 15 1 1 A 26 26 SER HA H 26 4.021 4.042 -0.021 1
1 214 . 15 1 1 A 26 26 SER CB C 26 62.050 63.173 -1.123 1
1 217 . 15 1 1 A 26 26 SER C C 26 177.134 177.071 0.063 1
1 218 . 15 1 1 A 27 27 SER N N 27 118.698 114.799 3.899 1
1 219 . 15 1 1 A 27 27 SER H H 27 8.647 7.907 0.740 1
1 220 . 15 1 1 A 27 27 SER CA C 27 61.907 61.578 0.329 1
1 221 . 15 1 1 A 27 27 SER HA H 27 4.100 4.043 0.057 1
1 222 . 15 1 1 A 27 27 SER CB C 27 62.115 62.805 -0.690 1
1 225 . 15 1 1 A 27 27 SER C C 27 176.423 176.780 -0.357 1
1 226 . 15 1 1 A 28 28 CYS N N 28 122.742 119.586 3.156 1
1 227 . 15 1 1 A 28 28 CYS H H 28 6.956 7.501 -0.545 1
1 228 . 15 1 1 A 28 28 CYS CA C 28 61.820 62.583 -0.763 1
1 229 . 15 1 1 A 28 28 CYS HA H 28 2.705 3.396 -0.691 1
1 230 . 15 1 1 A 28 28 CYS CB C 28 26.539 26.681 -0.142 1
1 233 . 15 1 1 A 28 28 CYS C C 28 175.832 176.917 -1.085 1
1 234 . 15 1 1 A 29 29 THR N N 29 115.897 113.830 2.067 1
1 235 . 15 1 1 A 29 29 THR H H 29 8.427 8.345 0.082 1
1 236 . 15 1 1 A 29 29 THR CA C 29 66.778 66.080 0.698 1
1 237 . 15 1 1 A 29 29 THR HA H 29 3.884 4.104 -0.220 1
1 238 . 15 1 1 A 29 29 THR CB C 29 68.701 68.382 0.319 1
1 244 . 15 1 1 A 29 29 THR C C 29 177.027 177.167 -0.140 1
1 245 . 15 1 1 A 30 30 GLN N N 30 120.743 121.169 -0.426 1
1 246 . 15 1 1 A 30 30 GLN H H 30 8.083 7.849 0.234 1
1 247 . 15 1 1 A 30 30 GLN CA C 30 58.996 58.343 0.653 1
1 248 . 15 1 1 A 30 30 GLN HA H 30 3.908 4.214 -0.306 1
1 249 . 15 1 1 A 30 30 GLN CB C 30 28.430 28.141 0.289 1
1 255 . 15 1 1 A 30 30 GLN C C 30 178.340 178.484 -0.144 1
1 256 . 15 1 1 A 31 31 HIS N N 31 118.530 120.425 -1.895 1
1 257 . 15 1 1 A 31 31 HIS H H 31 7.436 8.279 -0.843 1
1 258 . 15 1 1 A 31 31 HIS CA C 31 59.161 60.196 -1.035 1
1 259 . 15 1 1 A 31 31 HIS HA H 31 4.186 4.157 0.029 1
1 260 . 15 1 1 A 31 31 HIS CB C 31 28.230 29.558 -1.328 1
1 267 . 15 1 1 A 31 31 HIS C C 31 176.587 177.357 -0.770 1
1 268 . 15 1 1 A 32 32 GLN N N 32 117.813 116.375 1.438 1
1 269 . 15 1 1 A 32 32 GLN H H 32 8.384 8.182 0.202 1
1 270 . 15 1 1 A 32 32 GLN CA C 32 59.325 58.204 1.121 1
1 271 . 15 1 1 A 32 32 GLN HA H 32 3.895 4.043 -0.148 1
1 272 . 15 1 1 A 32 32 GLN CB C 32 28.890 27.659 1.231 1
1 281 . 15 1 1 A 32 32 GLN C C 32 178.421 177.484 0.937 1
1 282 . 15 1 1 A 33 33 ARG N N 33 117.148 118.679 -1.531 1
1 283 . 15 1 1 A 33 33 ARG H H 33 7.394 8.246 -0.852 1
1 284 . 15 1 1 A 33 33 ARG CA C 33 58.234 58.887 -0.653 1
1 285 . 15 1 1 A 33 33 ARG HA H 33 4.123 4.088 0.035 1
1 286 . 15 1 1 A 33 33 ARG CB C 33 29.993 29.845 0.148 1
1 295 . 15 1 1 A 33 33 ARG C C 33 177.784 179.128 -1.344 1
1 296 . 15 1 1 A 34 34 LEU N N 34 118.313 119.165 -0.852 1
1 297 . 15 1 1 A 34 34 LEU H H 34 7.675 8.324 -0.649 1
1 298 . 15 1 1 A 34 34 LEU CA C 34 56.303 57.415 -1.112 1
1 299 . 15 1 1 A 34 34 LEU HA H 34 4.058 4.000 0.058 1
1 300 . 15 1 1 A 34 34 LEU CB C 34 41.324 40.995 0.329 1
1 313 . 15 1 1 A 34 34 LEU C C 34 178.808 179.396 -0.588 1
1 314 . 15 1 1 A 35 35 HIS N N 35 115.638 115.473 0.165 1
1 315 . 15 1 1 A 35 35 HIS H H 35 7.266 7.735 -0.469 1
1 316 . 15 1 1 A 35 35 HIS CA C 35 56.022 59.312 -3.290 1
1 317 . 15 1 1 A 35 35 HIS HA H 35 4.712 4.287 0.425 1
1 318 . 15 1 1 A 35 35 HIS CB C 35 28.540 30.406 -1.866 1
1 325 . 15 1 1 A 35 35 HIS C C 35 175.711 175.557 0.154 1
1 326 . 15 1 1 A 36 36 THR N N 36 112.637 115.237 -2.600 1
1 327 . 15 1 1 A 36 36 THR H H 36 7.882 7.424 0.458 1
1 328 . 15 1 1 A 36 36 THR CA C 36 62.455 63.858 -1.403 1
1 329 . 15 1 1 A 36 36 THR HA H 36 4.359 3.915 0.444 1
1 330 . 15 1 1 A 36 36 THR CB C 36 69.921 68.985 0.936 1
1 336 . 15 1 1 A 36 36 THR C C 36 175.355 174.897 0.458 1
1 337 . 15 1 1 A 37 37 GLY N N 37 110.846 115.675 -4.829 1
1 338 . 15 1 1 A 37 37 GLY H H 37 8.350 8.650 -0.300 1
1 339 . 15 1 1 A 37 37 GLY CA C 37 45.411 44.881 0.530 1
1 340 . 15 1 1 A 37 37 GLY HA2 H 37 4.005 4.063 -0.058 1
1 341 . 15 1 1 A 37 37 GLY HA3 H 37 4.005 4.068 -0.063 1
1 342 . 15 1 1 A 37 37 GLY C C 37 174.062 173.666 0.396 1
1 343 . 15 1 1 A 38 38 GLN N N 38 119.605 118.596 1.009 1
1 344 . 15 1 1 A 38 38 GLN H H 38 8.139 8.074 0.065 1
1 345 . 15 1 1 A 38 38 GLN CA C 38 55.660 54.231 1.429 1
1 346 . 15 1 1 A 38 38 GLN HA H 38 4.330 4.661 -0.331 1
1 347 . 15 1 1 A 38 38 GLN CB C 38 29.565 29.853 -0.288 1
1 353 . 15 1 1 A 38 38 GLN C C 38 175.790 175.324 0.466 1
1 354 . 15 1 1 A 39 39 ARG N N 39 123.670 120.435 3.235 1
1 355 . 15 1 1 A 39 39 ARG H H 39 8.405 8.721 -0.316 1
1 356 . 15 1 1 A 39 39 ARG CA C 39 54.074 53.669 0.405 1
1 357 . 15 1 1 A 39 39 ARG HA H 39 4.624 4.561 0.063 1
1 358 . 15 1 1 A 39 39 ARG CB C 39 30.193 29.915 0.278 1
1 367 . 15 1 1 A 39 39 ARG C C 39 174.276 175.909 -1.633 1
1 368 . 15 1 1 A 40 40 PRO CA C 40 63.263 64.214 -0.951 1
1 369 . 15 1 1 A 40 40 PRO HA H 40 4.475 4.480 -0.005 1
1 370 . 15 1 1 A 40 40 PRO CB C 40 32.130 31.959 0.171 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.411 46.455 -1.044 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.041 3.801 0.240 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.041 3.804 0.237 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.569 175.438 -0.869 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.805 112.556 0.249 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.148 8.003 0.145 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.937 62.992 -1.055 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.368 4.019 0.349 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.797 66.623 3.174 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.281 173.839 1.442 1
1 16 . 16 1 1 A 9 9 GLY N N 9 111.033 110.642 0.391 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.450 7.960 0.490 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.415 43.907 1.508 1
1 19 . 16 1 1 A 9 9 GLY HA2 H 9 3.959 4.226 -0.267 1
1 20 . 16 1 1 A 9 9 GLY HA3 H 9 3.959 4.239 -0.280 1
1 21 . 16 1 1 A 9 9 GLY C C 9 174.015 172.675 1.340 1
1 22 . 16 1 1 A 10 10 GLU N N 10 120.268 121.682 -1.414 1
1 23 . 16 1 1 A 10 10 GLU H H 10 8.220 8.660 -0.440 1
1 24 . 16 1 1 A 10 10 GLU CA C 10 56.694 55.327 1.367 1
1 25 . 16 1 1 A 10 10 GLU HA H 10 4.210 4.518 -0.308 1
1 26 . 16 1 1 A 10 10 GLU CB C 10 30.530 29.882 0.648 1
1 32 . 16 1 1 A 10 10 GLU C C 10 176.497 175.622 0.875 1
1 33 . 16 1 1 A 11 11 LYS N N 11 122.135 121.935 0.200 1
1 34 . 16 1 1 A 11 11 LYS H H 11 8.387 7.351 1.036 1
1 35 . 16 1 1 A 11 11 LYS CA C 11 53.918 53.439 0.479 1
1 36 . 16 1 1 A 11 11 LYS HA H 11 4.555 4.281 0.274 1
1 37 . 16 1 1 A 11 11 LYS CB C 11 33.223 32.626 0.597 1
1 49 . 16 1 1 A 11 11 LYS C C 11 174.096 174.562 -0.466 1
1 50 . 16 1 1 A 12 12 PRO CA C 12 63.645 63.931 -0.286 1
1 51 . 16 1 1 A 12 12 PRO HA H 12 4.298 4.385 -0.087 1
1 52 . 16 1 1 A 12 12 PRO CB C 12 32.332 31.272 1.060 1
1 61 . 16 1 1 A 12 12 PRO C C 12 176.462 175.624 0.838 1
1 62 . 16 1 1 A 13 13 TYR N N 13 118.803 115.349 3.454 1
1 63 . 16 1 1 A 13 13 TYR H H 13 7.796 7.391 0.405 1
1 64 . 16 1 1 A 13 13 TYR CA C 13 57.652 55.603 2.049 1
1 65 . 16 1 1 A 13 13 TYR HA H 13 4.640 4.867 -0.227 1
1 66 . 16 1 1 A 13 13 TYR CB C 13 38.399 38.542 -0.143 1
1 77 . 16 1 1 A 13 13 TYR C C 13 174.480 174.835 -0.355 1
1 78 . 16 1 1 A 14 14 LYS N N 14 123.448 120.544 2.904 1
1 79 . 16 1 1 A 14 14 LYS H H 14 8.515 8.586 -0.071 1
1 80 . 16 1 1 A 14 14 LYS CA C 14 54.743 54.505 0.238 1
1 81 . 16 1 1 A 14 14 LYS HA H 14 5.139 5.061 0.078 1
1 82 . 16 1 1 A 14 14 LYS CB C 14 35.330 35.922 -0.592 1
1 94 . 16 1 1 A 14 14 LYS C C 14 175.781 174.949 0.832 1
1 95 . 16 1 1 A 15 15 CYS N N 15 126.149 120.605 5.544 1
1 96 . 16 1 1 A 15 15 CYS H H 15 9.206 8.742 0.464 1
1 97 . 16 1 1 A 15 15 CYS CA C 15 59.419 60.348 -0.929 1
1 98 . 16 1 1 A 15 15 CYS HA H 15 4.452 4.639 -0.187 1
1 99 . 16 1 1 A 15 15 CYS CB C 15 30.193 28.473 1.720 1
1 102 . 16 1 1 A 15 15 CYS C C 15 177.815 176.493 1.322 1
1 103 . 16 1 1 A 16 16 MET N N 16 130.364 125.815 4.549 1
1 104 . 16 1 1 A 16 16 MET H H 16 9.109 8.799 0.310 1
1 105 . 16 1 1 A 16 16 MET CA C 16 57.294 57.235 0.059 1
1 106 . 16 1 1 A 16 16 MET HA H 16 4.344 4.450 -0.106 1
1 107 . 16 1 1 A 16 16 MET CB C 16 32.125 33.189 -1.064 1
1 117 . 16 1 1 A 16 16 MET C C 16 176.516 177.728 -1.212 1
1 118 . 16 1 1 A 17 17 GLU N N 17 121.077 119.816 1.261 1
1 119 . 16 1 1 A 17 17 GLU H H 17 8.854 8.239 0.615 1
1 120 . 16 1 1 A 17 17 GLU CA C 17 58.171 59.823 -1.652 1
1 121 . 16 1 1 A 17 17 GLU HA H 17 4.262 3.990 0.272 1
1 122 . 16 1 1 A 17 17 GLU CB C 17 29.895 29.347 0.548 1
1 128 . 16 1 1 A 17 17 GLU C C 17 177.191 178.479 -1.288 1
1 129 . 16 1 1 A 18 18 CYS N N 18 115.700 115.370 0.330 1
1 130 . 16 1 1 A 18 18 CYS H H 18 8.241 7.728 0.513 1
1 131 . 16 1 1 A 18 18 CYS CA C 18 58.418 59.966 -1.548 1
1 132 . 16 1 1 A 18 18 CYS HA H 18 5.154 4.508 0.646 1
1 133 . 16 1 1 A 18 18 CYS CB C 18 32.494 29.402 3.092 1
1 136 . 16 1 1 A 18 18 CYS C C 18 176.450 175.558 0.892 1
1 137 . 16 1 1 A 19 19 GLY N N 19 113.303 109.747 3.556 1
1 138 . 16 1 1 A 19 19 GLY H H 19 8.052 8.512 -0.460 1
1 139 . 16 1 1 A 19 19 GLY CA C 19 46.231 46.271 -0.040 1
1 140 . 16 1 1 A 19 19 GLY HA2 H 19 3.797 3.998 -0.201 1
1 141 . 16 1 1 A 19 19 GLY HA3 H 19 4.246 4.003 0.243 1
1 142 . 16 1 1 A 19 19 GLY C C 19 173.412 174.084 -0.672 1
1 143 . 16 1 1 A 20 20 LYS N N 20 123.674 119.218 4.456 1
1 144 . 16 1 1 A 20 20 LYS H H 20 8.067 7.705 0.362 1
1 145 . 16 1 1 A 20 20 LYS CA C 20 58.381 54.244 4.137 1
1 146 . 16 1 1 A 20 20 LYS HA H 20 3.928 4.619 -0.691 1
1 147 . 16 1 1 A 20 20 LYS CB C 20 33.713 35.725 -2.012 1
1 159 . 16 1 1 A 20 20 LYS C C 20 173.631 174.369 -0.738 1
1 160 . 16 1 1 A 21 21 ALA N N 21 125.402 127.362 -1.960 1
1 161 . 16 1 1 A 21 21 ALA H H 21 7.887 8.586 -0.699 1
1 162 . 16 1 1 A 21 21 ALA CA C 21 50.759 50.591 0.168 1
1 163 . 16 1 1 A 21 21 ALA HA H 21 5.081 5.050 0.031 1
1 164 . 16 1 1 A 21 21 ALA CB C 21 21.883 21.229 0.654 1
1 168 . 16 1 1 A 21 21 ALA C C 21 176.527 176.303 0.224 1
1 169 . 16 1 1 A 22 22 PHE N N 22 117.170 118.095 -0.925 1
1 170 . 16 1 1 A 22 22 PHE H H 22 8.990 8.872 0.118 1
1 171 . 16 1 1 A 22 22 PHE CA C 22 57.350 56.500 0.850 1
1 172 . 16 1 1 A 22 22 PHE HA H 22 4.659 4.862 -0.203 1
1 173 . 16 1 1 A 22 22 PHE CB C 22 44.390 43.661 0.729 1
1 186 . 16 1 1 A 22 22 PHE C C 22 175.725 175.821 -0.096 1
1 187 . 16 1 1 A 23 23 GLY N N 23 107.188 112.205 -5.017 1
1 188 . 16 1 1 A 23 23 GLY H H 23 9.268 8.930 0.338 1
1 189 . 16 1 1 A 23 23 GLY CA C 23 46.079 46.170 -0.091 1
1 190 . 16 1 1 A 23 23 GLY HA2 H 23 4.077 4.081 -0.004 1
1 191 . 16 1 1 A 23 23 GLY HA3 H 23 4.414 4.123 0.291 1
1 192 . 16 1 1 A 23 23 GLY C C 23 172.890 172.893 -0.003 1
1 193 . 16 1 1 A 24 24 ASP N N 24 114.453 119.306 -4.853 1
1 194 . 16 1 1 A 24 24 ASP H H 24 7.507 7.566 -0.059 1
1 195 . 16 1 1 A 24 24 ASP CA C 24 52.483 53.100 -0.617 1
1 196 . 16 1 1 A 24 24 ASP HA H 24 4.760 5.027 -0.267 1
1 197 . 16 1 1 A 24 24 ASP CB C 24 43.786 44.379 -0.593 1
1 200 . 16 1 1 A 24 24 ASP C C 24 174.172 175.985 -1.813 1
1 201 . 16 1 1 A 25 25 ASN N N 25 119.702 123.505 -3.803 1
1 202 . 16 1 1 A 25 25 ASN H H 25 8.385 9.269 -0.884 1
1 203 . 16 1 1 A 25 25 ASN CA C 25 55.536 56.459 -0.923 1
1 204 . 16 1 1 A 25 25 ASN HA H 25 3.715 4.419 -0.704 1
1 205 . 16 1 1 A 25 25 ASN CB C 25 38.986 38.013 0.973 1
1 211 . 16 1 1 A 25 25 ASN C C 25 177.693 177.556 0.137 1
1 212 . 16 1 1 A 26 26 SER CA C 26 61.855 61.534 0.321 1
1 213 . 16 1 1 A 26 26 SER HA H 26 4.021 4.118 -0.097 1
1 214 . 16 1 1 A 26 26 SER CB C 26 62.050 62.944 -0.894 1
1 217 . 16 1 1 A 26 26 SER C C 26 177.134 177.094 0.040 1
1 218 . 16 1 1 A 27 27 SER N N 27 118.698 114.839 3.859 1
1 219 . 16 1 1 A 27 27 SER H H 27 8.647 8.011 0.636 1
1 220 . 16 1 1 A 27 27 SER CA C 27 61.907 61.536 0.371 1
1 221 . 16 1 1 A 27 27 SER HA H 27 4.100 4.083 0.017 1
1 222 . 16 1 1 A 27 27 SER CB C 27 62.115 62.653 -0.538 1
1 225 . 16 1 1 A 27 27 SER C C 27 176.423 176.959 -0.536 1
1 226 . 16 1 1 A 28 28 CYS N N 28 122.742 119.877 2.865 1
1 227 . 16 1 1 A 28 28 CYS H H 28 6.956 8.223 -1.267 1
1 228 . 16 1 1 A 28 28 CYS CA C 28 61.820 62.780 -0.960 1
1 229 . 16 1 1 A 28 28 CYS HA H 28 2.705 3.566 -0.861 1
1 230 . 16 1 1 A 28 28 CYS CB C 28 26.539 26.648 -0.109 1
1 233 . 16 1 1 A 28 28 CYS C C 28 175.832 176.873 -1.041 1
1 234 . 16 1 1 A 29 29 THR N N 29 115.897 114.125 1.772 1
1 235 . 16 1 1 A 29 29 THR H H 29 8.427 8.445 -0.018 1
1 236 . 16 1 1 A 29 29 THR CA C 29 66.778 66.067 0.711 1
1 237 . 16 1 1 A 29 29 THR HA H 29 3.884 3.985 -0.101 1
1 238 . 16 1 1 A 29 29 THR CB C 29 68.701 68.237 0.464 1
1 244 . 16 1 1 A 29 29 THR C C 29 177.027 176.607 0.420 1
1 245 . 16 1 1 A 30 30 GLN N N 30 120.743 121.797 -1.054 1
1 246 . 16 1 1 A 30 30 GLN H H 30 8.083 7.631 0.452 1
1 247 . 16 1 1 A 30 30 GLN CA C 30 58.996 58.615 0.381 1
1 248 . 16 1 1 A 30 30 GLN HA H 30 3.908 3.936 -0.028 1
1 249 . 16 1 1 A 30 30 GLN CB C 30 28.430 28.424 0.006 1
1 255 . 16 1 1 A 30 30 GLN C C 30 178.340 178.095 0.245 1
1 256 . 16 1 1 A 31 31 HIS N N 31 118.530 119.695 -1.165 1
1 257 . 16 1 1 A 31 31 HIS H H 31 7.436 8.255 -0.819 1
1 258 . 16 1 1 A 31 31 HIS CA C 31 59.161 59.840 -0.679 1
1 259 . 16 1 1 A 31 31 HIS HA H 31 4.186 3.913 0.273 1
1 260 . 16 1 1 A 31 31 HIS CB C 31 28.230 29.875 -1.645 1
1 267 . 16 1 1 A 31 31 HIS C C 31 176.587 176.965 -0.378 1
1 268 . 16 1 1 A 32 32 GLN N N 32 117.813 118.685 -0.872 1
1 269 . 16 1 1 A 32 32 GLN H H 32 8.384 7.532 0.852 1
1 270 . 16 1 1 A 32 32 GLN CA C 32 59.325 58.261 1.064 1
1 271 . 16 1 1 A 32 32 GLN HA H 32 3.895 4.047 -0.152 1
1 272 . 16 1 1 A 32 32 GLN CB C 32 28.890 29.193 -0.303 1
1 281 . 16 1 1 A 32 32 GLN C C 32 178.421 178.318 0.103 1
1 282 . 16 1 1 A 33 33 ARG N N 33 117.148 121.052 -3.904 1
1 283 . 16 1 1 A 33 33 ARG H H 33 7.394 7.619 -0.225 1
1 284 . 16 1 1 A 33 33 ARG CA C 33 58.234 58.750 -0.516 1
1 285 . 16 1 1 A 33 33 ARG HA H 33 4.123 4.015 0.108 1
1 286 . 16 1 1 A 33 33 ARG CB C 33 29.993 29.977 0.016 1
1 295 . 16 1 1 A 33 33 ARG C C 33 177.784 178.243 -0.459 1
1 296 . 16 1 1 A 34 34 LEU N N 34 118.313 119.135 -0.822 1
1 297 . 16 1 1 A 34 34 LEU H H 34 7.675 7.117 0.558 1
1 298 . 16 1 1 A 34 34 LEU CA C 34 56.303 57.672 -1.369 1
1 299 . 16 1 1 A 34 34 LEU HA H 34 4.058 4.005 0.053 1
1 300 . 16 1 1 A 34 34 LEU CB C 34 41.324 41.433 -0.109 1
1 313 . 16 1 1 A 34 34 LEU C C 34 178.808 179.187 -0.379 1
1 314 . 16 1 1 A 35 35 HIS N N 35 115.638 117.087 -1.449 1
1 315 . 16 1 1 A 35 35 HIS H H 35 7.266 7.725 -0.459 1
1 316 . 16 1 1 A 35 35 HIS CA C 35 56.022 59.468 -3.446 1
1 317 . 16 1 1 A 35 35 HIS HA H 35 4.712 4.271 0.441 1
1 318 . 16 1 1 A 35 35 HIS CB C 35 28.540 30.105 -1.565 1
1 325 . 16 1 1 A 35 35 HIS C C 35 175.711 175.872 -0.161 1
1 326 . 16 1 1 A 36 36 THR N N 36 112.637 113.342 -0.705 1
1 327 . 16 1 1 A 36 36 THR H H 36 7.882 8.011 -0.129 1
1 328 . 16 1 1 A 36 36 THR CA C 36 62.455 63.318 -0.863 1
1 329 . 16 1 1 A 36 36 THR HA H 36 4.359 4.103 0.256 1
1 330 . 16 1 1 A 36 36 THR CB C 36 69.921 69.257 0.664 1
1 336 . 16 1 1 A 36 36 THR C C 36 175.355 175.658 -0.303 1
1 337 . 16 1 1 A 37 37 GLY N N 37 110.846 116.330 -5.484 1
1 338 . 16 1 1 A 37 37 GLY H H 37 8.350 8.739 -0.389 1
1 339 . 16 1 1 A 37 37 GLY CA C 37 45.411 45.215 0.196 1
1 340 . 16 1 1 A 37 37 GLY HA2 H 37 4.005 3.991 0.014 1
1 341 . 16 1 1 A 37 37 GLY HA3 H 37 4.005 3.993 0.012 1
1 342 . 16 1 1 A 37 37 GLY C C 37 174.062 173.539 0.523 1
1 343 . 16 1 1 A 38 38 GLN N N 38 119.605 121.101 -1.496 1
1 344 . 16 1 1 A 38 38 GLN H H 38 8.139 7.858 0.281 1
1 345 . 16 1 1 A 38 38 GLN CA C 38 55.660 54.211 1.449 1
1 346 . 16 1 1 A 38 38 GLN HA H 38 4.330 4.896 -0.566 1
1 347 . 16 1 1 A 38 38 GLN CB C 38 29.565 32.301 -2.736 1
1 353 . 16 1 1 A 38 38 GLN C C 38 175.790 173.469 2.321 1
1 354 . 16 1 1 A 39 39 ARG N N 39 123.670 124.780 -1.110 1
1 355 . 16 1 1 A 39 39 ARG H H 39 8.405 8.837 -0.432 1
1 356 . 16 1 1 A 39 39 ARG CA C 39 54.074 53.014 1.060 1
1 357 . 16 1 1 A 39 39 ARG HA H 39 4.624 4.970 -0.346 1
1 358 . 16 1 1 A 39 39 ARG CB C 39 30.193 33.767 -3.574 1
1 367 . 16 1 1 A 39 39 ARG C C 39 174.276 174.359 -0.083 1
1 368 . 16 1 1 A 40 40 PRO CA C 40 63.263 62.885 0.378 1
1 369 . 16 1 1 A 40 40 PRO HA H 40 4.475 4.701 -0.226 1
1 370 . 16 1 1 A 40 40 PRO CB C 40 32.130 32.435 -0.305 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.411 45.879 -0.468 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.041 4.126 -0.085 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.041 4.127 -0.086 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.569 174.172 0.397 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.805 110.245 2.560 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.148 8.098 0.050 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.937 59.461 2.476 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.368 4.881 -0.513 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.797 72.133 -2.336 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.281 173.798 1.483 1
1 16 . 17 1 1 A 9 9 GLY N N 9 111.033 108.923 2.110 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.450 8.439 0.011 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.415 45.776 -0.361 1
1 19 . 17 1 1 A 9 9 GLY HA2 H 9 3.959 4.101 -0.142 1
1 20 . 17 1 1 A 9 9 GLY HA3 H 9 3.959 4.107 -0.148 1
1 21 . 17 1 1 A 9 9 GLY C C 9 174.015 173.872 0.143 1
1 22 . 17 1 1 A 10 10 GLU N N 10 120.268 119.290 0.978 1
1 23 . 17 1 1 A 10 10 GLU H H 10 8.220 8.311 -0.091 1
1 24 . 17 1 1 A 10 10 GLU CA C 10 56.694 57.321 -0.627 1
1 25 . 17 1 1 A 10 10 GLU HA H 10 4.210 4.004 0.206 1
1 26 . 17 1 1 A 10 10 GLU CB C 10 30.530 28.651 1.879 1
1 32 . 17 1 1 A 10 10 GLU C C 10 176.497 175.203 1.294 1
1 33 . 17 1 1 A 11 11 LYS N N 11 122.135 118.545 3.590 1
1 34 . 17 1 1 A 11 11 LYS H H 11 8.387 8.131 0.256 1
1 35 . 17 1 1 A 11 11 LYS CA C 11 53.918 53.745 0.173 1
1 36 . 17 1 1 A 11 11 LYS HA H 11 4.555 4.608 -0.053 1
1 37 . 17 1 1 A 11 11 LYS CB C 11 33.223 32.775 0.448 1
1 49 . 17 1 1 A 11 11 LYS C C 11 174.096 174.937 -0.841 1
1 50 . 17 1 1 A 12 12 PRO CA C 12 63.645 64.949 -1.304 1
1 51 . 17 1 1 A 12 12 PRO HA H 12 4.298 4.267 0.031 1
1 52 . 17 1 1 A 12 12 PRO CB C 12 32.332 31.759 0.573 1
1 61 . 17 1 1 A 12 12 PRO C C 12 176.462 177.323 -0.861 1
1 62 . 17 1 1 A 13 13 TYR N N 13 118.803 115.103 3.700 1
1 63 . 17 1 1 A 13 13 TYR H H 13 7.796 7.353 0.443 1
1 64 . 17 1 1 A 13 13 TYR CA C 13 57.652 57.564 0.088 1
1 65 . 17 1 1 A 13 13 TYR HA H 13 4.640 4.662 -0.022 1
1 66 . 17 1 1 A 13 13 TYR CB C 13 38.399 38.601 -0.202 1
1 77 . 17 1 1 A 13 13 TYR C C 13 174.480 175.106 -0.626 1
1 78 . 17 1 1 A 14 14 LYS N N 14 123.448 122.291 1.157 1
1 79 . 17 1 1 A 14 14 LYS H H 14 8.515 7.706 0.809 1
1 80 . 17 1 1 A 14 14 LYS CA C 14 54.743 54.361 0.382 1
1 81 . 17 1 1 A 14 14 LYS HA H 14 5.139 5.087 0.052 1
1 82 . 17 1 1 A 14 14 LYS CB C 14 35.330 35.996 -0.666 1
1 94 . 17 1 1 A 14 14 LYS C C 14 175.781 175.991 -0.210 1
1 95 . 17 1 1 A 15 15 CYS N N 15 126.149 124.983 1.166 1
1 96 . 17 1 1 A 15 15 CYS H H 15 9.206 9.043 0.163 1
1 97 . 17 1 1 A 15 15 CYS CA C 15 59.419 59.873 -0.454 1
1 98 . 17 1 1 A 15 15 CYS HA H 15 4.452 4.710 -0.258 1
1 99 . 17 1 1 A 15 15 CYS CB C 15 30.193 28.642 1.551 1
1 102 . 17 1 1 A 15 15 CYS C C 15 177.815 176.240 1.575 1
1 103 . 17 1 1 A 16 16 MET N N 16 130.364 127.043 3.321 1
1 104 . 17 1 1 A 16 16 MET H H 16 9.109 8.960 0.149 1
1 105 . 17 1 1 A 16 16 MET CA C 16 57.294 54.877 2.417 1
1 106 . 17 1 1 A 16 16 MET HA H 16 4.344 4.675 -0.331 1
1 107 . 17 1 1 A 16 16 MET CB C 16 32.125 32.871 -0.746 1
1 117 . 17 1 1 A 16 16 MET C C 16 176.516 176.923 -0.407 1
1 118 . 17 1 1 A 17 17 GLU N N 17 121.077 119.215 1.862 1
1 119 . 17 1 1 A 17 17 GLU H H 17 8.854 7.991 0.863 1
1 120 . 17 1 1 A 17 17 GLU CA C 17 58.171 57.406 0.765 1
1 121 . 17 1 1 A 17 17 GLU HA H 17 4.262 4.333 -0.071 1
1 122 . 17 1 1 A 17 17 GLU CB C 17 29.895 30.532 -0.637 1
1 128 . 17 1 1 A 17 17 GLU C C 17 177.191 177.946 -0.755 1
1 129 . 17 1 1 A 18 18 CYS N N 18 115.700 115.070 0.630 1
1 130 . 17 1 1 A 18 18 CYS H H 18 8.241 8.325 -0.084 1
1 131 . 17 1 1 A 18 18 CYS CA C 18 58.418 59.775 -1.357 1
1 132 . 17 1 1 A 18 18 CYS HA H 18 5.154 4.672 0.482 1
1 133 . 17 1 1 A 18 18 CYS CB C 18 32.494 29.869 2.625 1
1 136 . 17 1 1 A 18 18 CYS C C 18 176.450 175.523 0.927 1
1 137 . 17 1 1 A 19 19 GLY N N 19 113.303 110.428 2.875 1
1 138 . 17 1 1 A 19 19 GLY H H 19 8.052 8.295 -0.243 1
1 139 . 17 1 1 A 19 19 GLY CA C 19 46.231 45.392 0.839 1
1 140 . 17 1 1 A 19 19 GLY HA2 H 19 3.797 4.064 -0.267 1
1 141 . 17 1 1 A 19 19 GLY HA3 H 19 4.246 4.084 0.162 1
1 142 . 17 1 1 A 19 19 GLY C C 19 173.412 174.043 -0.631 1
1 143 . 17 1 1 A 20 20 LYS N N 20 123.674 118.998 4.676 1
1 144 . 17 1 1 A 20 20 LYS H H 20 8.067 7.797 0.270 1
1 145 . 17 1 1 A 20 20 LYS CA C 20 58.381 53.976 4.405 1
1 146 . 17 1 1 A 20 20 LYS HA H 20 3.928 4.578 -0.650 1
1 147 . 17 1 1 A 20 20 LYS CB C 20 33.713 34.136 -0.423 1
1 159 . 17 1 1 A 20 20 LYS C C 20 173.631 175.051 -1.420 1
1 160 . 17 1 1 A 21 21 ALA N N 21 125.402 122.475 2.927 1
1 161 . 17 1 1 A 21 21 ALA H H 21 7.887 8.465 -0.578 1
1 162 . 17 1 1 A 21 21 ALA CA C 21 50.759 50.140 0.619 1
1 163 . 17 1 1 A 21 21 ALA HA H 21 5.081 5.187 -0.106 1
1 164 . 17 1 1 A 21 21 ALA CB C 21 21.883 22.058 -0.175 1
1 168 . 17 1 1 A 21 21 ALA C C 21 176.527 176.082 0.445 1
1 169 . 17 1 1 A 22 22 PHE N N 22 117.170 117.038 0.132 1
1 170 . 17 1 1 A 22 22 PHE H H 22 8.990 8.542 0.448 1
1 171 . 17 1 1 A 22 22 PHE CA C 22 57.350 56.366 0.984 1
1 172 . 17 1 1 A 22 22 PHE HA H 22 4.659 4.854 -0.195 1
1 173 . 17 1 1 A 22 22 PHE CB C 22 44.390 43.542 0.848 1
1 186 . 17 1 1 A 22 22 PHE C C 22 175.725 175.540 0.185 1
1 187 . 17 1 1 A 23 23 GLY N N 23 107.188 111.980 -4.792 1
1 188 . 17 1 1 A 23 23 GLY H H 23 9.268 8.519 0.749 1
1 189 . 17 1 1 A 23 23 GLY CA C 23 46.079 46.278 -0.199 1
1 190 . 17 1 1 A 23 23 GLY HA2 H 23 4.077 3.755 0.322 1
1 191 . 17 1 1 A 23 23 GLY HA3 H 23 4.414 3.838 0.576 1
1 192 . 17 1 1 A 23 23 GLY C C 23 172.890 173.512 -0.622 1
1 193 . 17 1 1 A 24 24 ASP N N 24 114.453 120.480 -6.027 1
1 194 . 17 1 1 A 24 24 ASP H H 24 7.507 8.031 -0.524 1
1 195 . 17 1 1 A 24 24 ASP CA C 24 52.483 52.730 -0.247 1
1 196 . 17 1 1 A 24 24 ASP HA H 24 4.760 4.777 -0.017 1
1 197 . 17 1 1 A 24 24 ASP CB C 24 43.786 42.168 1.618 1
1 200 . 17 1 1 A 24 24 ASP C C 24 174.172 176.556 -2.384 1
1 201 . 17 1 1 A 25 25 ASN N N 25 119.702 124.921 -5.219 1
1 202 . 17 1 1 A 25 25 ASN H H 25 8.385 8.985 -0.600 1
1 203 . 17 1 1 A 25 25 ASN CA C 25 55.536 56.875 -1.339 1
1 204 . 17 1 1 A 25 25 ASN HA H 25 3.715 4.374 -0.659 1
1 205 . 17 1 1 A 25 25 ASN CB C 25 38.986 38.067 0.919 1
1 211 . 17 1 1 A 25 25 ASN C C 25 177.693 177.401 0.292 1
1 212 . 17 1 1 A 26 26 SER CA C 26 61.855 61.316 0.539 1
1 213 . 17 1 1 A 26 26 SER HA H 26 4.021 4.077 -0.056 1
1 214 . 17 1 1 A 26 26 SER CB C 26 62.050 63.141 -1.091 1
1 217 . 17 1 1 A 26 26 SER C C 26 177.134 176.691 0.443 1
1 218 . 17 1 1 A 27 27 SER N N 27 118.698 114.801 3.897 1
1 219 . 17 1 1 A 27 27 SER H H 27 8.647 8.060 0.587 1
1 220 . 17 1 1 A 27 27 SER CA C 27 61.907 61.415 0.492 1
1 221 . 17 1 1 A 27 27 SER HA H 27 4.100 4.125 -0.025 1
1 222 . 17 1 1 A 27 27 SER CB C 27 62.115 62.648 -0.533 1
1 225 . 17 1 1 A 27 27 SER C C 27 176.423 176.792 -0.369 1
1 226 . 17 1 1 A 28 28 CYS N N 28 122.742 119.679 3.063 1
1 227 . 17 1 1 A 28 28 CYS H H 28 6.956 7.883 -0.927 1
1 228 . 17 1 1 A 28 28 CYS CA C 28 61.820 62.456 -0.636 1
1 229 . 17 1 1 A 28 28 CYS HA H 28 2.705 3.117 -0.412 1
1 230 . 17 1 1 A 28 28 CYS CB C 28 26.539 26.618 -0.079 1
1 233 . 17 1 1 A 28 28 CYS C C 28 175.832 176.777 -0.945 1
1 234 . 17 1 1 A 29 29 THR N N 29 115.897 115.668 0.229 1
1 235 . 17 1 1 A 29 29 THR H H 29 8.427 7.935 0.492 1
1 236 . 17 1 1 A 29 29 THR CA C 29 66.778 66.004 0.774 1
1 237 . 17 1 1 A 29 29 THR HA H 29 3.884 3.818 0.066 1
1 238 . 17 1 1 A 29 29 THR CB C 29 68.701 69.583 -0.882 1
1 244 . 17 1 1 A 29 29 THR C C 29 177.027 175.904 1.123 1
1 245 . 17 1 1 A 30 30 GLN N N 30 120.743 118.937 1.806 1
1 246 . 17 1 1 A 30 30 GLN H H 30 8.083 8.276 -0.193 1
1 247 . 17 1 1 A 30 30 GLN CA C 30 58.996 59.419 -0.423 1
1 248 . 17 1 1 A 30 30 GLN HA H 30 3.908 3.863 0.045 1
1 249 . 17 1 1 A 30 30 GLN CB C 30 28.430 28.416 0.014 1
1 255 . 17 1 1 A 30 30 GLN C C 30 178.340 178.301 0.039 1
1 256 . 17 1 1 A 31 31 HIS N N 31 118.530 119.594 -1.064 1
1 257 . 17 1 1 A 31 31 HIS H H 31 7.436 8.247 -0.811 1
1 258 . 17 1 1 A 31 31 HIS CA C 31 59.161 59.842 -0.681 1
1 259 . 17 1 1 A 31 31 HIS HA H 31 4.186 3.979 0.207 1
1 260 . 17 1 1 A 31 31 HIS CB C 31 28.230 29.707 -1.477 1
1 267 . 17 1 1 A 31 31 HIS C C 31 176.587 176.629 -0.042 1
1 268 . 17 1 1 A 32 32 GLN N N 32 117.813 117.375 0.438 1
1 269 . 17 1 1 A 32 32 GLN H H 32 8.384 8.390 -0.006 1
1 270 . 17 1 1 A 32 32 GLN CA C 32 59.325 59.255 0.070 1
1 271 . 17 1 1 A 32 32 GLN HA H 32 3.895 3.640 0.255 1
1 272 . 17 1 1 A 32 32 GLN CB C 32 28.890 27.966 0.924 1
1 281 . 17 1 1 A 32 32 GLN C C 32 178.421 178.495 -0.074 1
1 282 . 17 1 1 A 33 33 ARG N N 33 117.148 119.949 -2.801 1
1 283 . 17 1 1 A 33 33 ARG H H 33 7.394 8.316 -0.922 1
1 284 . 17 1 1 A 33 33 ARG CA C 33 58.234 59.253 -1.019 1
1 285 . 17 1 1 A 33 33 ARG HA H 33 4.123 3.919 0.204 1
1 286 . 17 1 1 A 33 33 ARG CB C 33 29.993 29.988 0.005 1
1 295 . 17 1 1 A 33 33 ARG C C 33 177.784 178.350 -0.566 1
1 296 . 17 1 1 A 34 34 LEU N N 34 118.313 119.321 -1.008 1
1 297 . 17 1 1 A 34 34 LEU H H 34 7.675 7.703 -0.028 1
1 298 . 17 1 1 A 34 34 LEU CA C 34 56.303 57.868 -1.565 1
1 299 . 17 1 1 A 34 34 LEU HA H 34 4.058 3.962 0.096 1
1 300 . 17 1 1 A 34 34 LEU CB C 34 41.324 41.381 -0.057 1
1 313 . 17 1 1 A 34 34 LEU C C 34 178.808 179.022 -0.214 1
1 314 . 17 1 1 A 35 35 HIS N N 35 115.638 118.552 -2.914 1
1 315 . 17 1 1 A 35 35 HIS H H 35 7.266 7.677 -0.411 1
1 316 . 17 1 1 A 35 35 HIS CA C 35 56.022 59.546 -3.524 1
1 317 . 17 1 1 A 35 35 HIS HA H 35 4.712 4.267 0.445 1
1 318 . 17 1 1 A 35 35 HIS CB C 35 28.540 29.861 -1.321 1
1 325 . 17 1 1 A 35 35 HIS C C 35 175.711 175.118 0.593 1
1 326 . 17 1 1 A 36 36 THR N N 36 112.637 110.874 1.763 1
1 327 . 17 1 1 A 36 36 THR H H 36 7.882 8.183 -0.301 1
1 328 . 17 1 1 A 36 36 THR CA C 36 62.455 62.918 -0.463 1
1 329 . 17 1 1 A 36 36 THR HA H 36 4.359 3.896 0.463 1
1 330 . 17 1 1 A 36 36 THR CB C 36 69.921 65.841 4.080 1
1 336 . 17 1 1 A 36 36 THR C C 36 175.355 174.668 0.687 1
1 337 . 17 1 1 A 37 37 GLY N N 37 110.846 106.785 4.061 1
1 338 . 17 1 1 A 37 37 GLY H H 37 8.350 8.189 0.161 1
1 339 . 17 1 1 A 37 37 GLY CA C 37 45.411 45.576 -0.165 1
1 340 . 17 1 1 A 37 37 GLY HA2 H 37 4.005 3.977 0.028 1
1 341 . 17 1 1 A 37 37 GLY HA3 H 37 4.005 3.978 0.027 1
1 342 . 17 1 1 A 37 37 GLY C C 37 174.062 174.856 -0.794 1
1 343 . 17 1 1 A 38 38 GLN N N 38 119.605 120.039 -0.434 1
1 344 . 17 1 1 A 38 38 GLN H H 38 8.139 8.078 0.061 1
1 345 . 17 1 1 A 38 38 GLN CA C 38 55.660 57.208 -1.548 1
1 346 . 17 1 1 A 38 38 GLN HA H 38 4.330 4.645 -0.315 1
1 347 . 17 1 1 A 38 38 GLN CB C 38 29.565 30.685 -1.120 1
1 353 . 17 1 1 A 38 38 GLN C C 38 175.790 174.945 0.845 1
1 354 . 17 1 1 A 39 39 ARG N N 39 123.670 119.630 4.040 1
1 355 . 17 1 1 A 39 39 ARG H H 39 8.405 7.891 0.514 1
1 356 . 17 1 1 A 39 39 ARG CA C 39 54.074 53.649 0.425 1
1 357 . 17 1 1 A 39 39 ARG HA H 39 4.624 4.676 -0.052 1
1 358 . 17 1 1 A 39 39 ARG CB C 39 30.193 31.994 -1.801 1
1 367 . 17 1 1 A 39 39 ARG C C 39 174.276 174.677 -0.401 1
1 368 . 17 1 1 A 40 40 PRO CA C 40 63.263 62.785 0.478 1
1 369 . 17 1 1 A 40 40 PRO HA H 40 4.475 4.719 -0.244 1
1 370 . 17 1 1 A 40 40 PRO CB C 40 32.130 31.043 1.087 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.411 46.669 -1.258 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.041 3.981 0.060 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.041 3.984 0.057 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.569 175.379 -0.810 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.805 119.927 -7.122 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.148 8.380 -0.232 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.937 63.570 -1.633 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.368 4.319 0.049 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.797 69.932 -0.135 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.281 174.759 0.522 1
1 16 . 18 1 1 A 9 9 GLY N N 9 111.033 110.124 0.909 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.450 7.742 0.708 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.415 44.442 0.973 1
1 19 . 18 1 1 A 9 9 GLY HA2 H 9 3.959 4.085 -0.126 1
1 20 . 18 1 1 A 9 9 GLY HA3 H 9 3.959 4.086 -0.127 1
1 21 . 18 1 1 A 9 9 GLY C C 9 174.015 172.337 1.678 1
1 22 . 18 1 1 A 10 10 GLU N N 10 120.268 121.164 -0.896 1
1 23 . 18 1 1 A 10 10 GLU H H 10 8.220 8.472 -0.252 1
1 24 . 18 1 1 A 10 10 GLU CA C 10 56.694 54.978 1.716 1
1 25 . 18 1 1 A 10 10 GLU HA H 10 4.210 5.123 -0.913 1
1 26 . 18 1 1 A 10 10 GLU CB C 10 30.530 33.452 -2.922 1
1 32 . 18 1 1 A 10 10 GLU C C 10 176.497 175.232 1.265 1
1 33 . 18 1 1 A 11 11 LYS N N 11 122.135 126.315 -4.180 1
1 34 . 18 1 1 A 11 11 LYS H H 11 8.387 8.840 -0.453 1
1 35 . 18 1 1 A 11 11 LYS CA C 11 53.918 54.017 -0.099 1
1 36 . 18 1 1 A 11 11 LYS HA H 11 4.555 4.446 0.109 1
1 37 . 18 1 1 A 11 11 LYS CB C 11 33.223 31.800 1.423 1
1 49 . 18 1 1 A 11 11 LYS C C 11 174.096 176.464 -2.368 1
1 50 . 18 1 1 A 12 12 PRO CA C 12 63.645 64.845 -1.200 1
1 51 . 18 1 1 A 12 12 PRO HA H 12 4.298 4.292 0.006 1
1 52 . 18 1 1 A 12 12 PRO CB C 12 32.332 31.705 0.627 1
1 61 . 18 1 1 A 12 12 PRO C C 12 176.462 177.078 -0.616 1
1 62 . 18 1 1 A 13 13 TYR N N 13 118.803 115.015 3.788 1
1 63 . 18 1 1 A 13 13 TYR H H 13 7.796 7.298 0.498 1
1 64 . 18 1 1 A 13 13 TYR CA C 13 57.652 57.324 0.328 1
1 65 . 18 1 1 A 13 13 TYR HA H 13 4.640 4.633 0.007 1
1 66 . 18 1 1 A 13 13 TYR CB C 13 38.399 38.559 -0.160 1
1 77 . 18 1 1 A 13 13 TYR C C 13 174.480 174.509 -0.029 1
1 78 . 18 1 1 A 14 14 LYS N N 14 123.448 122.114 1.334 1
1 79 . 18 1 1 A 14 14 LYS H H 14 8.515 7.533 0.982 1
1 80 . 18 1 1 A 14 14 LYS CA C 14 54.743 54.669 0.074 1
1 81 . 18 1 1 A 14 14 LYS HA H 14 5.139 5.160 -0.021 1
1 82 . 18 1 1 A 14 14 LYS CB C 14 35.330 36.071 -0.741 1
1 94 . 18 1 1 A 14 14 LYS C C 14 175.781 175.127 0.654 1
1 95 . 18 1 1 A 15 15 CYS N N 15 126.149 124.897 1.252 1
1 96 . 18 1 1 A 15 15 CYS H H 15 9.206 8.728 0.478 1
1 97 . 18 1 1 A 15 15 CYS CA C 15 59.419 60.129 -0.710 1
1 98 . 18 1 1 A 15 15 CYS HA H 15 4.452 4.395 0.057 1
1 99 . 18 1 1 A 15 15 CYS CB C 15 30.193 28.695 1.498 1
1 102 . 18 1 1 A 15 15 CYS C C 15 177.815 175.205 2.610 1
1 103 . 18 1 1 A 16 16 MET N N 16 130.364 126.295 4.069 1
1 104 . 18 1 1 A 16 16 MET H H 16 9.109 8.988 0.121 1
1 105 . 18 1 1 A 16 16 MET CA C 16 57.294 57.282 0.012 1
1 106 . 18 1 1 A 16 16 MET HA H 16 4.344 4.445 -0.101 1
1 107 . 18 1 1 A 16 16 MET CB C 16 32.125 33.172 -1.047 1
1 117 . 18 1 1 A 16 16 MET C C 16 176.516 177.790 -1.274 1
1 118 . 18 1 1 A 17 17 GLU N N 17 121.077 119.459 1.618 1
1 119 . 18 1 1 A 17 17 GLU H H 17 8.854 8.113 0.741 1
1 120 . 18 1 1 A 17 17 GLU CA C 17 58.171 59.123 -0.952 1
1 121 . 18 1 1 A 17 17 GLU HA H 17 4.262 4.047 0.215 1
1 122 . 18 1 1 A 17 17 GLU CB C 17 29.895 29.649 0.246 1
1 128 . 18 1 1 A 17 17 GLU C C 17 177.191 178.462 -1.271 1
1 129 . 18 1 1 A 18 18 CYS N N 18 115.700 115.105 0.595 1
1 130 . 18 1 1 A 18 18 CYS H H 18 8.241 7.510 0.731 1
1 131 . 18 1 1 A 18 18 CYS CA C 18 58.418 59.885 -1.467 1
1 132 . 18 1 1 A 18 18 CYS HA H 18 5.154 4.427 0.727 1
1 133 . 18 1 1 A 18 18 CYS CB C 18 32.494 29.216 3.278 1
1 136 . 18 1 1 A 18 18 CYS C C 18 176.450 175.494 0.956 1
1 137 . 18 1 1 A 19 19 GLY N N 19 113.303 109.521 3.782 1
1 138 . 18 1 1 A 19 19 GLY H H 19 8.052 8.222 -0.170 1
1 139 . 18 1 1 A 19 19 GLY CA C 19 46.231 45.741 0.490 1
1 140 . 18 1 1 A 19 19 GLY HA2 H 19 3.797 4.030 -0.233 1
1 141 . 18 1 1 A 19 19 GLY HA3 H 19 4.246 4.053 0.193 1
1 142 . 18 1 1 A 19 19 GLY C C 19 173.412 174.029 -0.617 1
1 143 . 18 1 1 A 20 20 LYS N N 20 123.674 121.526 2.148 1
1 144 . 18 1 1 A 20 20 LYS H H 20 8.067 8.269 -0.202 1
1 145 . 18 1 1 A 20 20 LYS CA C 20 58.381 54.344 4.037 1
1 146 . 18 1 1 A 20 20 LYS HA H 20 3.928 4.921 -0.993 1
1 147 . 18 1 1 A 20 20 LYS CB C 20 33.713 36.763 -3.050 1
1 159 . 18 1 1 A 20 20 LYS C C 20 173.631 174.815 -1.184 1
1 160 . 18 1 1 A 21 21 ALA N N 21 125.402 123.102 2.300 1
1 161 . 18 1 1 A 21 21 ALA H H 21 7.887 8.499 -0.612 1
1 162 . 18 1 1 A 21 21 ALA CA C 21 50.759 50.787 -0.028 1
1 163 . 18 1 1 A 21 21 ALA HA H 21 5.081 5.369 -0.288 1
1 164 . 18 1 1 A 21 21 ALA CB C 21 21.883 21.391 0.492 1
1 168 . 18 1 1 A 21 21 ALA C C 21 176.527 176.658 -0.131 1
1 169 . 18 1 1 A 22 22 PHE N N 22 117.170 117.821 -0.651 1
1 170 . 18 1 1 A 22 22 PHE H H 22 8.990 8.662 0.328 1
1 171 . 18 1 1 A 22 22 PHE CA C 22 57.350 56.725 0.625 1
1 172 . 18 1 1 A 22 22 PHE HA H 22 4.659 4.818 -0.159 1
1 173 . 18 1 1 A 22 22 PHE CB C 22 44.390 42.802 1.588 1
1 186 . 18 1 1 A 22 22 PHE C C 22 175.725 176.231 -0.506 1
1 187 . 18 1 1 A 23 23 GLY N N 23 107.188 110.422 -3.234 1
1 188 . 18 1 1 A 23 23 GLY H H 23 9.268 8.777 0.491 1
1 189 . 18 1 1 A 23 23 GLY CA C 23 46.079 47.506 -1.427 1
1 190 . 18 1 1 A 23 23 GLY HA2 H 23 4.077 3.776 0.301 1
1 191 . 18 1 1 A 23 23 GLY HA3 H 23 4.414 3.832 0.582 1
1 192 . 18 1 1 A 23 23 GLY C C 23 172.890 173.896 -1.006 1
1 193 . 18 1 1 A 24 24 ASP N N 24 114.453 115.366 -0.913 1
1 194 . 18 1 1 A 24 24 ASP H H 24 7.507 7.998 -0.491 1
1 195 . 18 1 1 A 24 24 ASP CA C 24 52.483 52.279 0.204 1
1 196 . 18 1 1 A 24 24 ASP HA H 24 4.760 4.969 -0.209 1
1 197 . 18 1 1 A 24 24 ASP CB C 24 43.786 42.700 1.086 1
1 200 . 18 1 1 A 24 24 ASP C C 24 174.172 176.760 -2.588 1
1 201 . 18 1 1 A 25 25 ASN N N 25 119.702 120.863 -1.161 1
1 202 . 18 1 1 A 25 25 ASN H H 25 8.385 9.030 -0.645 1
1 203 . 18 1 1 A 25 25 ASN CA C 25 55.536 57.104 -1.568 1
1 204 . 18 1 1 A 25 25 ASN HA H 25 3.715 4.426 -0.711 1
1 205 . 18 1 1 A 25 25 ASN CB C 25 38.986 38.776 0.210 1
1 211 . 18 1 1 A 25 25 ASN C C 25 177.693 177.035 0.658 1
1 212 . 18 1 1 A 26 26 SER CA C 26 61.855 61.530 0.325 1
1 213 . 18 1 1 A 26 26 SER HA H 26 4.021 4.197 -0.176 1
1 214 . 18 1 1 A 26 26 SER CB C 26 62.050 62.879 -0.829 1
1 217 . 18 1 1 A 26 26 SER C C 26 177.134 176.739 0.395 1
1 218 . 18 1 1 A 27 27 SER N N 27 118.698 116.081 2.617 1
1 219 . 18 1 1 A 27 27 SER H H 27 8.647 8.039 0.608 1
1 220 . 18 1 1 A 27 27 SER CA C 27 61.907 61.865 0.042 1
1 221 . 18 1 1 A 27 27 SER HA H 27 4.100 4.114 -0.014 1
1 222 . 18 1 1 A 27 27 SER CB C 27 62.115 62.700 -0.585 1
1 225 . 18 1 1 A 27 27 SER C C 27 176.423 175.817 0.606 1
1 226 . 18 1 1 A 28 28 CYS N N 28 122.742 120.957 1.785 1
1 227 . 18 1 1 A 28 28 CYS H H 28 6.956 7.958 -1.002 1
1 228 . 18 1 1 A 28 28 CYS CA C 28 61.820 62.575 -0.755 1
1 229 . 18 1 1 A 28 28 CYS HA H 28 2.705 3.550 -0.845 1
1 230 . 18 1 1 A 28 28 CYS CB C 28 26.539 26.862 -0.323 1
1 233 . 18 1 1 A 28 28 CYS C C 28 175.832 176.820 -0.988 1
1 234 . 18 1 1 A 29 29 THR N N 29 115.897 116.753 -0.856 1
1 235 . 18 1 1 A 29 29 THR H H 29 8.427 7.980 0.447 1
1 236 . 18 1 1 A 29 29 THR CA C 29 66.778 65.322 1.456 1
1 237 . 18 1 1 A 29 29 THR HA H 29 3.884 3.874 0.010 1
1 238 . 18 1 1 A 29 29 THR CB C 29 68.701 69.089 -0.388 1
1 244 . 18 1 1 A 29 29 THR C C 29 177.027 176.750 0.277 1
1 245 . 18 1 1 A 30 30 GLN N N 30 120.743 120.283 0.460 1
1 246 . 18 1 1 A 30 30 GLN H H 30 8.083 7.950 0.133 1
1 247 . 18 1 1 A 30 30 GLN CA C 30 58.996 58.336 0.660 1
1 248 . 18 1 1 A 30 30 GLN HA H 30 3.908 4.041 -0.133 1
1 249 . 18 1 1 A 30 30 GLN CB C 30 28.430 28.761 -0.331 1
1 255 . 18 1 1 A 30 30 GLN C C 30 178.340 178.174 0.166 1
1 256 . 18 1 1 A 31 31 HIS N N 31 118.530 119.913 -1.383 1
1 257 . 18 1 1 A 31 31 HIS H H 31 7.436 7.586 -0.150 1
1 258 . 18 1 1 A 31 31 HIS CA C 31 59.161 59.798 -0.637 1
1 259 . 18 1 1 A 31 31 HIS HA H 31 4.186 4.031 0.155 1
1 260 . 18 1 1 A 31 31 HIS CB C 31 28.230 29.675 -1.445 1
1 267 . 18 1 1 A 31 31 HIS C C 31 176.587 177.372 -0.785 1
1 268 . 18 1 1 A 32 32 GLN N N 32 117.813 118.628 -0.815 1
1 269 . 18 1 1 A 32 32 GLN H H 32 8.384 8.330 0.054 1
1 270 . 18 1 1 A 32 32 GLN CA C 32 59.325 58.754 0.571 1
1 271 . 18 1 1 A 32 32 GLN HA H 32 3.895 3.977 -0.082 1
1 272 . 18 1 1 A 32 32 GLN CB C 32 28.890 28.310 0.580 1
1 281 . 18 1 1 A 32 32 GLN C C 32 178.421 178.182 0.239 1
1 282 . 18 1 1 A 33 33 ARG N N 33 117.148 120.859 -3.711 1
1 283 . 18 1 1 A 33 33 ARG H H 33 7.394 7.993 -0.599 1
1 284 . 18 1 1 A 33 33 ARG CA C 33 58.234 58.218 0.016 1
1 285 . 18 1 1 A 33 33 ARG HA H 33 4.123 4.331 -0.208 1
1 286 . 18 1 1 A 33 33 ARG CB C 33 29.993 29.989 0.004 1
1 295 . 18 1 1 A 33 33 ARG C C 33 177.784 178.762 -0.978 1
1 296 . 18 1 1 A 34 34 LEU N N 34 118.313 118.724 -0.411 1
1 297 . 18 1 1 A 34 34 LEU H H 34 7.675 7.465 0.210 1
1 298 . 18 1 1 A 34 34 LEU CA C 34 56.303 56.313 -0.010 1
1 299 . 18 1 1 A 34 34 LEU HA H 34 4.058 3.994 0.064 1
1 300 . 18 1 1 A 34 34 LEU CB C 34 41.324 41.407 -0.083 1
1 313 . 18 1 1 A 34 34 LEU C C 34 178.808 177.360 1.448 1
1 314 . 18 1 1 A 35 35 HIS N N 35 115.638 115.663 -0.025 1
1 315 . 18 1 1 A 35 35 HIS H H 35 7.266 7.566 -0.300 1
1 316 . 18 1 1 A 35 35 HIS CA C 35 56.022 55.141 0.881 1
1 317 . 18 1 1 A 35 35 HIS HA H 35 4.712 4.724 -0.012 1
1 318 . 18 1 1 A 35 35 HIS CB C 35 28.540 29.733 -1.193 1
1 325 . 18 1 1 A 35 35 HIS C C 35 175.711 175.506 0.205 1
1 326 . 18 1 1 A 36 36 THR N N 36 112.637 110.167 2.470 1
1 327 . 18 1 1 A 36 36 THR H H 36 7.882 7.778 0.104 1
1 328 . 18 1 1 A 36 36 THR CA C 36 62.455 62.183 0.272 1
1 329 . 18 1 1 A 36 36 THR HA H 36 4.359 4.482 -0.123 1
1 330 . 18 1 1 A 36 36 THR CB C 36 69.921 71.236 -1.315 1
1 336 . 18 1 1 A 36 36 THR C C 36 175.355 175.640 -0.285 1
1 337 . 18 1 1 A 37 37 GLY N N 37 110.846 111.232 -0.386 1
1 338 . 18 1 1 A 37 37 GLY H H 37 8.350 7.617 0.733 1
1 339 . 18 1 1 A 37 37 GLY CA C 37 45.411 46.825 -1.414 1
1 340 . 18 1 1 A 37 37 GLY HA2 H 37 4.005 3.982 0.023 1
1 341 . 18 1 1 A 37 37 GLY HA3 H 37 4.005 3.992 0.013 1
1 342 . 18 1 1 A 37 37 GLY C C 37 174.062 173.997 0.065 1
1 343 . 18 1 1 A 38 38 GLN N N 38 119.605 122.817 -3.212 1
1 344 . 18 1 1 A 38 38 GLN H H 38 8.139 7.533 0.606 1
1 345 . 18 1 1 A 38 38 GLN CA C 38 55.660 56.104 -0.444 1
1 346 . 18 1 1 A 38 38 GLN HA H 38 4.330 4.349 -0.019 1
1 347 . 18 1 1 A 38 38 GLN CB C 38 29.565 29.320 0.245 1
1 353 . 18 1 1 A 38 38 GLN C C 38 175.790 175.723 0.067 1
1 354 . 18 1 1 A 39 39 ARG N N 39 123.670 119.894 3.776 1
1 355 . 18 1 1 A 39 39 ARG H H 39 8.405 8.796 -0.391 1
1 356 . 18 1 1 A 39 39 ARG CA C 39 54.074 53.648 0.426 1
1 357 . 18 1 1 A 39 39 ARG HA H 39 4.624 4.873 -0.249 1
1 358 . 18 1 1 A 39 39 ARG CB C 39 30.193 33.560 -3.367 1
1 367 . 18 1 1 A 39 39 ARG C C 39 174.276 175.736 -1.460 1
1 368 . 18 1 1 A 40 40 PRO CA C 40 63.263 64.049 -0.786 1
1 369 . 18 1 1 A 40 40 PRO HA H 40 4.475 4.421 0.054 1
1 370 . 18 1 1 A 40 40 PRO CB C 40 32.130 31.863 0.267 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.411 45.392 0.019 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.041 4.035 0.006 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.041 4.035 0.006 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.569 173.961 0.608 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.805 112.683 0.122 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.148 7.490 0.658 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.937 60.748 1.189 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.368 4.524 -0.156 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.797 70.617 -0.820 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.281 175.306 -0.025 1
1 16 . 19 1 1 A 9 9 GLY N N 9 111.033 108.117 2.916 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.450 8.490 -0.040 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.415 45.350 0.065 1
1 19 . 19 1 1 A 9 9 GLY HA2 H 9 3.959 4.015 -0.056 1
1 20 . 19 1 1 A 9 9 GLY HA3 H 9 3.959 4.020 -0.061 1
1 21 . 19 1 1 A 9 9 GLY C C 9 174.015 172.974 1.041 1
1 22 . 19 1 1 A 10 10 GLU N N 10 120.268 117.806 2.462 1
1 23 . 19 1 1 A 10 10 GLU H H 10 8.220 8.781 -0.561 1
1 24 . 19 1 1 A 10 10 GLU CA C 10 56.694 54.990 1.704 1
1 25 . 19 1 1 A 10 10 GLU HA H 10 4.210 5.182 -0.972 1
1 26 . 19 1 1 A 10 10 GLU CB C 10 30.530 32.487 -1.957 1
1 32 . 19 1 1 A 10 10 GLU C C 10 176.497 174.702 1.795 1
1 33 . 19 1 1 A 11 11 LYS N N 11 122.135 121.425 0.710 1
1 34 . 19 1 1 A 11 11 LYS H H 11 8.387 8.626 -0.239 1
1 35 . 19 1 1 A 11 11 LYS CA C 11 53.918 55.039 -1.121 1
1 36 . 19 1 1 A 11 11 LYS HA H 11 4.555 4.888 -0.333 1
1 37 . 19 1 1 A 11 11 LYS CB C 11 33.223 35.369 -2.146 1
1 49 . 19 1 1 A 11 11 LYS C C 11 174.096 175.974 -1.878 1
1 50 . 19 1 1 A 12 12 PRO CA C 12 63.645 63.880 -0.235 1
1 51 . 19 1 1 A 12 12 PRO HA H 12 4.298 4.602 -0.304 1
1 52 . 19 1 1 A 12 12 PRO CB C 12 32.332 31.911 0.421 1
1 61 . 19 1 1 A 12 12 PRO C C 12 176.462 176.002 0.460 1
1 62 . 19 1 1 A 13 13 TYR N N 13 118.803 119.657 -0.854 1
1 63 . 19 1 1 A 13 13 TYR H H 13 7.796 8.083 -0.287 1
1 64 . 19 1 1 A 13 13 TYR CA C 13 57.652 57.440 0.212 1
1 65 . 19 1 1 A 13 13 TYR HA H 13 4.640 4.658 -0.018 1
1 66 . 19 1 1 A 13 13 TYR CB C 13 38.399 36.932 1.467 1
1 77 . 19 1 1 A 13 13 TYR C C 13 174.480 174.922 -0.442 1
1 78 . 19 1 1 A 14 14 LYS N N 14 123.448 125.399 -1.951 1
1 79 . 19 1 1 A 14 14 LYS H H 14 8.515 8.421 0.094 1
1 80 . 19 1 1 A 14 14 LYS CA C 14 54.743 54.470 0.273 1
1 81 . 19 1 1 A 14 14 LYS HA H 14 5.139 5.160 -0.021 1
1 82 . 19 1 1 A 14 14 LYS CB C 14 35.330 35.805 -0.475 1
1 94 . 19 1 1 A 14 14 LYS C C 14 175.781 175.609 0.172 1
1 95 . 19 1 1 A 15 15 CYS N N 15 126.149 125.404 0.745 1
1 96 . 19 1 1 A 15 15 CYS H H 15 9.206 8.569 0.637 1
1 97 . 19 1 1 A 15 15 CYS CA C 15 59.419 60.100 -0.681 1
1 98 . 19 1 1 A 15 15 CYS HA H 15 4.452 4.397 0.055 1
1 99 . 19 1 1 A 15 15 CYS CB C 15 30.193 28.857 1.336 1
1 102 . 19 1 1 A 15 15 CYS C C 15 177.815 176.015 1.800 1
1 103 . 19 1 1 A 16 16 MET N N 16 130.364 126.706 3.658 1
1 104 . 19 1 1 A 16 16 MET H H 16 9.109 8.664 0.445 1
1 105 . 19 1 1 A 16 16 MET CA C 16 57.294 57.879 -0.585 1
1 106 . 19 1 1 A 16 16 MET HA H 16 4.344 4.227 0.117 1
1 107 . 19 1 1 A 16 16 MET CB C 16 32.125 31.008 1.117 1
1 117 . 19 1 1 A 16 16 MET C C 16 176.516 178.412 -1.896 1
1 118 . 19 1 1 A 17 17 GLU N N 17 121.077 120.606 0.471 1
1 119 . 19 1 1 A 17 17 GLU H H 17 8.854 8.278 0.576 1
1 120 . 19 1 1 A 17 17 GLU CA C 17 58.171 59.596 -1.425 1
1 121 . 19 1 1 A 17 17 GLU HA H 17 4.262 3.998 0.264 1
1 122 . 19 1 1 A 17 17 GLU CB C 17 29.895 29.028 0.867 1
1 128 . 19 1 1 A 17 17 GLU C C 17 177.191 178.094 -0.903 1
1 129 . 19 1 1 A 18 18 CYS N N 18 115.700 115.566 0.134 1
1 130 . 19 1 1 A 18 18 CYS H H 18 8.241 7.353 0.888 1
1 131 . 19 1 1 A 18 18 CYS CA C 18 58.418 59.653 -1.235 1
1 132 . 19 1 1 A 18 18 CYS HA H 18 5.154 4.705 0.449 1
1 133 . 19 1 1 A 18 18 CYS CB C 18 32.494 29.854 2.640 1
1 136 . 19 1 1 A 18 18 CYS C C 18 176.450 175.451 0.999 1
1 137 . 19 1 1 A 19 19 GLY N N 19 113.303 110.307 2.996 1
1 138 . 19 1 1 A 19 19 GLY H H 19 8.052 8.347 -0.295 1
1 139 . 19 1 1 A 19 19 GLY CA C 19 46.231 46.161 0.070 1
1 140 . 19 1 1 A 19 19 GLY HA2 H 19 3.797 3.996 -0.199 1
1 141 . 19 1 1 A 19 19 GLY HA3 H 19 4.246 4.002 0.244 1
1 142 . 19 1 1 A 19 19 GLY C C 19 173.412 174.121 -0.709 1
1 143 . 19 1 1 A 20 20 LYS N N 20 123.674 120.029 3.645 1
1 144 . 19 1 1 A 20 20 LYS H H 20 8.067 7.752 0.315 1
1 145 . 19 1 1 A 20 20 LYS CA C 20 58.381 54.553 3.828 1
1 146 . 19 1 1 A 20 20 LYS HA H 20 3.928 4.531 -0.603 1
1 147 . 19 1 1 A 20 20 LYS CB C 20 33.713 34.906 -1.193 1
1 159 . 19 1 1 A 20 20 LYS C C 20 173.631 175.095 -1.464 1
1 160 . 19 1 1 A 21 21 ALA N N 21 125.402 127.683 -2.281 1
1 161 . 19 1 1 A 21 21 ALA H H 21 7.887 8.650 -0.763 1
1 162 . 19 1 1 A 21 21 ALA CA C 21 50.759 51.160 -0.401 1
1 163 . 19 1 1 A 21 21 ALA HA H 21 5.081 4.935 0.146 1
1 164 . 19 1 1 A 21 21 ALA CB C 21 21.883 20.640 1.243 1
1 168 . 19 1 1 A 21 21 ALA C C 21 176.527 176.437 0.090 1
1 169 . 19 1 1 A 22 22 PHE N N 22 117.170 118.093 -0.923 1
1 170 . 19 1 1 A 22 22 PHE H H 22 8.990 8.804 0.186 1
1 171 . 19 1 1 A 22 22 PHE CA C 22 57.350 56.117 1.233 1
1 172 . 19 1 1 A 22 22 PHE HA H 22 4.659 4.951 -0.292 1
1 173 . 19 1 1 A 22 22 PHE CB C 22 44.390 43.522 0.868 1
1 186 . 19 1 1 A 22 22 PHE C C 22 175.725 175.953 -0.228 1
1 187 . 19 1 1 A 23 23 GLY N N 23 107.188 111.139 -3.951 1
1 188 . 19 1 1 A 23 23 GLY H H 23 9.268 8.613 0.655 1
1 189 . 19 1 1 A 23 23 GLY CA C 23 46.079 46.517 -0.438 1
1 190 . 19 1 1 A 23 23 GLY HA2 H 23 4.077 3.948 0.129 1
1 191 . 19 1 1 A 23 23 GLY HA3 H 23 4.414 3.951 0.463 1
1 192 . 19 1 1 A 23 23 GLY C C 23 172.890 173.585 -0.695 1
1 193 . 19 1 1 A 24 24 ASP N N 24 114.453 120.341 -5.888 1
1 194 . 19 1 1 A 24 24 ASP H H 24 7.507 8.049 -0.542 1
1 195 . 19 1 1 A 24 24 ASP CA C 24 52.483 52.806 -0.323 1
1 196 . 19 1 1 A 24 24 ASP HA H 24 4.760 4.768 -0.008 1
1 197 . 19 1 1 A 24 24 ASP CB C 24 43.786 42.342 1.444 1
1 200 . 19 1 1 A 24 24 ASP C C 24 174.172 176.308 -2.136 1
1 201 . 19 1 1 A 25 25 ASN N N 25 119.702 125.850 -6.148 1
1 202 . 19 1 1 A 25 25 ASN H H 25 8.385 9.048 -0.663 1
1 203 . 19 1 1 A 25 25 ASN CA C 25 55.536 56.823 -1.287 1
1 204 . 19 1 1 A 25 25 ASN HA H 25 3.715 4.305 -0.590 1
1 205 . 19 1 1 A 25 25 ASN CB C 25 38.986 38.578 0.408 1
1 211 . 19 1 1 A 25 25 ASN C C 25 177.693 177.044 0.649 1
1 212 . 19 1 1 A 26 26 SER CA C 26 61.855 61.687 0.168 1
1 213 . 19 1 1 A 26 26 SER HA H 26 4.021 4.225 -0.204 1
1 214 . 19 1 1 A 26 26 SER CB C 26 62.050 62.768 -0.718 1
1 217 . 19 1 1 A 26 26 SER C C 26 177.134 176.621 0.513 1
1 218 . 19 1 1 A 27 27 SER N N 27 118.698 116.407 2.291 1
1 219 . 19 1 1 A 27 27 SER H H 27 8.647 8.033 0.614 1
1 220 . 19 1 1 A 27 27 SER CA C 27 61.907 61.770 0.137 1
1 221 . 19 1 1 A 27 27 SER HA H 27 4.100 4.078 0.022 1
1 222 . 19 1 1 A 27 27 SER CB C 27 62.115 62.445 -0.330 1
1 225 . 19 1 1 A 27 27 SER C C 27 176.423 176.028 0.395 1
1 226 . 19 1 1 A 28 28 CYS N N 28 122.742 120.840 1.902 1
1 227 . 19 1 1 A 28 28 CYS H H 28 6.956 7.940 -0.984 1
1 228 . 19 1 1 A 28 28 CYS CA C 28 61.820 62.110 -0.290 1
1 229 . 19 1 1 A 28 28 CYS HA H 28 2.705 3.648 -0.943 1
1 230 . 19 1 1 A 28 28 CYS CB C 28 26.539 26.711 -0.172 1
1 233 . 19 1 1 A 28 28 CYS C C 28 175.832 176.827 -0.995 1
1 234 . 19 1 1 A 29 29 THR N N 29 115.897 113.855 2.042 1
1 235 . 19 1 1 A 29 29 THR H H 29 8.427 8.280 0.147 1
1 236 . 19 1 1 A 29 29 THR CA C 29 66.778 65.983 0.795 1
1 237 . 19 1 1 A 29 29 THR HA H 29 3.884 4.112 -0.228 1
1 238 . 19 1 1 A 29 29 THR CB C 29 68.701 68.541 0.160 1
1 244 . 19 1 1 A 29 29 THR C C 29 177.027 176.490 0.537 1
1 245 . 19 1 1 A 30 30 GLN N N 30 120.743 121.453 -0.710 1
1 246 . 19 1 1 A 30 30 GLN H H 30 8.083 7.629 0.454 1
1 247 . 19 1 1 A 30 30 GLN CA C 30 58.996 58.645 0.351 1
1 248 . 19 1 1 A 30 30 GLN HA H 30 3.908 4.088 -0.180 1
1 249 . 19 1 1 A 30 30 GLN CB C 30 28.430 28.991 -0.561 1
1 255 . 19 1 1 A 30 30 GLN C C 30 178.340 177.862 0.478 1
1 256 . 19 1 1 A 31 31 HIS N N 31 118.530 119.827 -1.297 1
1 257 . 19 1 1 A 31 31 HIS H H 31 7.436 8.508 -1.072 1
1 258 . 19 1 1 A 31 31 HIS CA C 31 59.161 59.899 -0.738 1
1 259 . 19 1 1 A 31 31 HIS HA H 31 4.186 4.085 0.101 1
1 260 . 19 1 1 A 31 31 HIS CB C 31 28.230 29.988 -1.758 1
1 267 . 19 1 1 A 31 31 HIS C C 31 176.587 176.836 -0.249 1
1 268 . 19 1 1 A 32 32 GLN N N 32 117.813 118.298 -0.485 1
1 269 . 19 1 1 A 32 32 GLN H H 32 8.384 8.468 -0.084 1
1 270 . 19 1 1 A 32 32 GLN CA C 32 59.325 59.419 -0.094 1
1 271 . 19 1 1 A 32 32 GLN HA H 32 3.895 3.751 0.144 1
1 272 . 19 1 1 A 32 32 GLN CB C 32 28.890 28.262 0.628 1
1 281 . 19 1 1 A 32 32 GLN C C 32 178.421 178.688 -0.267 1
1 282 . 19 1 1 A 33 33 ARG N N 33 117.148 120.518 -3.370 1
1 283 . 19 1 1 A 33 33 ARG H H 33 7.394 7.731 -0.337 1
1 284 . 19 1 1 A 33 33 ARG CA C 33 58.234 58.816 -0.582 1
1 285 . 19 1 1 A 33 33 ARG HA H 33 4.123 4.061 0.062 1
1 286 . 19 1 1 A 33 33 ARG CB C 33 29.993 30.090 -0.097 1
1 295 . 19 1 1 A 33 33 ARG C C 33 177.784 178.782 -0.998 1
1 296 . 19 1 1 A 34 34 LEU N N 34 118.313 119.717 -1.404 1
1 297 . 19 1 1 A 34 34 LEU H H 34 7.675 7.715 -0.040 1
1 298 . 19 1 1 A 34 34 LEU CA C 34 56.303 57.779 -1.476 1
1 299 . 19 1 1 A 34 34 LEU HA H 34 4.058 3.924 0.134 1
1 300 . 19 1 1 A 34 34 LEU CB C 34 41.324 41.700 -0.376 1
1 313 . 19 1 1 A 34 34 LEU C C 34 178.808 178.828 -0.020 1
1 314 . 19 1 1 A 35 35 HIS N N 35 115.638 117.829 -2.191 1
1 315 . 19 1 1 A 35 35 HIS H H 35 7.266 8.054 -0.788 1
1 316 . 19 1 1 A 35 35 HIS CA C 35 56.022 59.621 -3.599 1
1 317 . 19 1 1 A 35 35 HIS HA H 35 4.712 4.152 0.560 1
1 318 . 19 1 1 A 35 35 HIS CB C 35 28.540 29.519 -0.979 1
1 325 . 19 1 1 A 35 35 HIS C C 35 175.711 177.662 -1.951 1
1 326 . 19 1 1 A 36 36 THR N N 36 112.637 113.847 -1.210 1
1 327 . 19 1 1 A 36 36 THR H H 36 7.882 7.483 0.399 1
1 328 . 19 1 1 A 36 36 THR CA C 36 62.455 66.390 -3.935 1
1 329 . 19 1 1 A 36 36 THR HA H 36 4.359 3.885 0.474 1
1 330 . 19 1 1 A 36 36 THR CB C 36 69.921 68.482 1.439 1
1 336 . 19 1 1 A 36 36 THR C C 36 175.355 175.635 -0.280 1
1 337 . 19 1 1 A 37 37 GLY N N 37 110.846 105.173 5.673 1
1 338 . 19 1 1 A 37 37 GLY H H 37 8.350 7.318 1.032 1
1 339 . 19 1 1 A 37 37 GLY CA C 37 45.411 45.678 -0.267 1
1 340 . 19 1 1 A 37 37 GLY HA2 H 37 4.005 4.074 -0.069 1
1 341 . 19 1 1 A 37 37 GLY HA3 H 37 4.005 4.080 -0.075 1
1 342 . 19 1 1 A 37 37 GLY C C 37 174.062 172.746 1.316 1
1 343 . 19 1 1 A 38 38 GLN N N 38 119.605 126.128 -6.523 1
1 344 . 19 1 1 A 38 38 GLN H H 38 8.139 8.905 -0.766 1
1 345 . 19 1 1 A 38 38 GLN CA C 38 55.660 54.596 1.064 1
1 346 . 19 1 1 A 38 38 GLN HA H 38 4.330 4.732 -0.402 1
1 347 . 19 1 1 A 38 38 GLN CB C 38 29.565 29.268 0.297 1
1 353 . 19 1 1 A 38 38 GLN C C 38 175.790 174.468 1.322 1
1 354 . 19 1 1 A 39 39 ARG N N 39 123.670 123.202 0.468 1
1 355 . 19 1 1 A 39 39 ARG H H 39 8.405 7.611 0.794 1
1 356 . 19 1 1 A 39 39 ARG CA C 39 54.074 53.590 0.484 1
1 357 . 19 1 1 A 39 39 ARG HA H 39 4.624 4.553 0.071 1
1 358 . 19 1 1 A 39 39 ARG CB C 39 30.193 29.915 0.278 1
1 367 . 19 1 1 A 39 39 ARG C C 39 174.276 174.186 0.090 1
1 368 . 19 1 1 A 40 40 PRO CA C 40 63.263 62.535 0.728 1
1 369 . 19 1 1 A 40 40 PRO HA H 40 4.475 4.661 -0.186 1
1 370 . 19 1 1 A 40 40 PRO CB C 40 32.130 32.661 -0.531 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.411 44.814 0.597 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.041 4.160 -0.119 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.041 4.172 -0.131 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.569 174.811 -0.242 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.805 117.824 -5.019 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.148 8.726 -0.578 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.937 64.174 -2.237 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.368 4.039 0.329 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.797 69.951 -0.154 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.281 174.684 0.597 1
1 16 . 20 1 1 A 9 9 GLY N N 9 111.033 108.666 2.367 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.450 7.636 0.814 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.415 45.431 -0.016 1
1 19 . 20 1 1 A 9 9 GLY HA2 H 9 3.959 4.034 -0.075 1
1 20 . 20 1 1 A 9 9 GLY HA3 H 9 3.959 4.054 -0.095 1
1 21 . 20 1 1 A 9 9 GLY C C 9 174.015 174.348 -0.333 1
1 22 . 20 1 1 A 10 10 GLU N N 10 120.268 122.493 -2.225 1
1 23 . 20 1 1 A 10 10 GLU H H 10 8.220 8.286 -0.066 1
1 24 . 20 1 1 A 10 10 GLU CA C 10 56.694 57.563 -0.869 1
1 25 . 20 1 1 A 10 10 GLU HA H 10 4.210 4.635 -0.425 1
1 26 . 20 1 1 A 10 10 GLU CB C 10 30.530 32.883 -2.353 1
1 32 . 20 1 1 A 10 10 GLU C C 10 176.497 176.613 -0.116 1
1 33 . 20 1 1 A 11 11 LYS N N 11 122.135 116.332 5.803 1
1 34 . 20 1 1 A 11 11 LYS H H 11 8.387 7.699 0.688 1
1 35 . 20 1 1 A 11 11 LYS CA C 11 53.918 53.097 0.821 1
1 36 . 20 1 1 A 11 11 LYS HA H 11 4.555 3.995 0.560 1
1 37 . 20 1 1 A 11 11 LYS CB C 11 33.223 32.193 1.030 1
1 49 . 20 1 1 A 11 11 LYS C C 11 174.096 175.605 -1.509 1
1 50 . 20 1 1 A 12 12 PRO CA C 12 63.645 65.316 -1.671 1
1 51 . 20 1 1 A 12 12 PRO HA H 12 4.298 4.186 0.112 1
1 52 . 20 1 1 A 12 12 PRO CB C 12 32.332 31.320 1.012 1
1 61 . 20 1 1 A 12 12 PRO C C 12 176.462 176.547 -0.085 1
1 62 . 20 1 1 A 13 13 TYR N N 13 118.803 116.685 2.118 1
1 63 . 20 1 1 A 13 13 TYR H H 13 7.796 8.073 -0.277 1
1 64 . 20 1 1 A 13 13 TYR CA C 13 57.652 58.371 -0.719 1
1 65 . 20 1 1 A 13 13 TYR HA H 13 4.640 4.215 0.425 1
1 66 . 20 1 1 A 13 13 TYR CB C 13 38.399 35.975 2.424 1
1 77 . 20 1 1 A 13 13 TYR C C 13 174.480 174.818 -0.338 1
1 78 . 20 1 1 A 14 14 LYS N N 14 123.448 117.267 6.181 1
1 79 . 20 1 1 A 14 14 LYS H H 14 8.515 7.837 0.678 1
1 80 . 20 1 1 A 14 14 LYS CA C 14 54.743 54.334 0.409 1
1 81 . 20 1 1 A 14 14 LYS HA H 14 5.139 4.991 0.148 1
1 82 . 20 1 1 A 14 14 LYS CB C 14 35.330 34.845 0.485 1
1 94 . 20 1 1 A 14 14 LYS C C 14 175.781 175.270 0.511 1
1 95 . 20 1 1 A 15 15 CYS N N 15 126.149 121.062 5.087 1
1 96 . 20 1 1 A 15 15 CYS H H 15 9.206 8.968 0.238 1
1 97 . 20 1 1 A 15 15 CYS CA C 15 59.419 59.281 0.138 1
1 98 . 20 1 1 A 15 15 CYS HA H 15 4.452 4.690 -0.238 1
1 99 . 20 1 1 A 15 15 CYS CB C 15 30.193 29.413 0.780 1
1 102 . 20 1 1 A 15 15 CYS C C 15 177.815 175.282 2.533 1
1 103 . 20 1 1 A 16 16 MET N N 16 130.364 126.426 3.938 1
1 104 . 20 1 1 A 16 16 MET H H 16 9.109 9.015 0.094 1
1 105 . 20 1 1 A 16 16 MET CA C 16 57.294 57.429 -0.135 1
1 106 . 20 1 1 A 16 16 MET HA H 16 4.344 4.373 -0.029 1
1 107 . 20 1 1 A 16 16 MET CB C 16 32.125 32.759 -0.634 1
1 117 . 20 1 1 A 16 16 MET C C 16 176.516 178.222 -1.706 1
1 118 . 20 1 1 A 17 17 GLU N N 17 121.077 118.700 2.377 1
1 119 . 20 1 1 A 17 17 GLU H H 17 8.854 8.339 0.515 1
1 120 . 20 1 1 A 17 17 GLU CA C 17 58.171 59.092 -0.921 1
1 121 . 20 1 1 A 17 17 GLU HA H 17 4.262 4.044 0.218 1
1 122 . 20 1 1 A 17 17 GLU CB C 17 29.895 28.779 1.116 1
1 128 . 20 1 1 A 17 17 GLU C C 17 177.191 178.460 -1.269 1
1 129 . 20 1 1 A 18 18 CYS N N 18 115.700 115.000 0.700 1
1 130 . 20 1 1 A 18 18 CYS H H 18 8.241 7.670 0.571 1
1 131 . 20 1 1 A 18 18 CYS CA C 18 58.418 59.624 -1.206 1
1 132 . 20 1 1 A 18 18 CYS HA H 18 5.154 4.768 0.386 1
1 133 . 20 1 1 A 18 18 CYS CB C 18 32.494 30.146 2.348 1
1 136 . 20 1 1 A 18 18 CYS C C 18 176.450 175.638 0.812 1
1 137 . 20 1 1 A 19 19 GLY N N 19 113.303 109.622 3.681 1
1 138 . 20 1 1 A 19 19 GLY H H 19 8.052 8.269 -0.217 1
1 139 . 20 1 1 A 19 19 GLY CA C 19 46.231 44.771 1.460 1
1 140 . 20 1 1 A 19 19 GLY HA2 H 19 3.797 4.080 -0.283 1
1 141 . 20 1 1 A 19 19 GLY HA3 H 19 4.246 4.120 0.126 1
1 142 . 20 1 1 A 19 19 GLY C C 19 173.412 172.450 0.962 1
1 143 . 20 1 1 A 20 20 LYS N N 20 123.674 124.490 -0.816 1
1 144 . 20 1 1 A 20 20 LYS H H 20 8.067 8.490 -0.423 1
1 145 . 20 1 1 A 20 20 LYS CA C 20 58.381 55.291 3.090 1
1 146 . 20 1 1 A 20 20 LYS HA H 20 3.928 4.718 -0.790 1
1 147 . 20 1 1 A 20 20 LYS CB C 20 33.713 36.272 -2.559 1
1 159 . 20 1 1 A 20 20 LYS C C 20 173.631 174.120 -0.489 1
1 160 . 20 1 1 A 21 21 ALA N N 21 125.402 126.726 -1.324 1
1 161 . 20 1 1 A 21 21 ALA H H 21 7.887 8.287 -0.400 1
1 162 . 20 1 1 A 21 21 ALA CA C 21 50.759 51.257 -0.498 1
1 163 . 20 1 1 A 21 21 ALA HA H 21 5.081 4.805 0.276 1
1 164 . 20 1 1 A 21 21 ALA CB C 21 21.883 19.727 2.156 1
1 168 . 20 1 1 A 21 21 ALA C C 21 176.527 176.631 -0.104 1
1 169 . 20 1 1 A 22 22 PHE N N 22 117.170 119.147 -1.977 1
1 170 . 20 1 1 A 22 22 PHE H H 22 8.990 9.096 -0.106 1
1 171 . 20 1 1 A 22 22 PHE CA C 22 57.350 55.988 1.362 1
1 172 . 20 1 1 A 22 22 PHE HA H 22 4.659 5.132 -0.473 1
1 173 . 20 1 1 A 22 22 PHE CB C 22 44.390 41.890 2.500 1
1 186 . 20 1 1 A 22 22 PHE C C 22 175.725 176.348 -0.623 1
1 187 . 20 1 1 A 23 23 GLY N N 23 107.188 111.785 -4.597 1
1 188 . 20 1 1 A 23 23 GLY H H 23 9.268 8.923 0.345 1
1 189 . 20 1 1 A 23 23 GLY CA C 23 46.079 45.673 0.406 1
1 190 . 20 1 1 A 23 23 GLY HA2 H 23 4.077 3.881 0.196 1
1 191 . 20 1 1 A 23 23 GLY HA3 H 23 4.414 3.907 0.507 1
1 192 . 20 1 1 A 23 23 GLY C C 23 172.890 174.163 -1.273 1
1 193 . 20 1 1 A 24 24 ASP N N 24 114.453 116.939 -2.486 1
1 194 . 20 1 1 A 24 24 ASP H H 24 7.507 7.640 -0.133 1
1 195 . 20 1 1 A 24 24 ASP CA C 24 52.483 53.057 -0.574 1
1 196 . 20 1 1 A 24 24 ASP HA H 24 4.760 4.904 -0.144 1
1 197 . 20 1 1 A 24 24 ASP CB C 24 43.786 43.282 0.504 1
1 200 . 20 1 1 A 24 24 ASP C C 24 174.172 175.378 -1.206 1
1 201 . 20 1 1 A 25 25 ASN N N 25 119.702 119.788 -0.086 1
1 202 . 20 1 1 A 25 25 ASN H H 25 8.385 9.044 -0.659 1
1 203 . 20 1 1 A 25 25 ASN CA C 25 55.536 55.247 0.289 1
1 204 . 20 1 1 A 25 25 ASN HA H 25 3.715 4.567 -0.852 1
1 205 . 20 1 1 A 25 25 ASN CB C 25 38.986 38.765 0.221 1
1 211 . 20 1 1 A 25 25 ASN C C 25 177.693 177.598 0.095 1
1 212 . 20 1 1 A 26 26 SER CA C 26 61.855 61.890 -0.035 1
1 213 . 20 1 1 A 26 26 SER HA H 26 4.021 4.038 -0.017 1
1 214 . 20 1 1 A 26 26 SER CB C 26 62.050 62.609 -0.559 1
1 217 . 20 1 1 A 26 26 SER C C 26 177.134 176.426 0.708 1
1 218 . 20 1 1 A 27 27 SER N N 27 118.698 116.477 2.221 1
1 219 . 20 1 1 A 27 27 SER H H 27 8.647 8.172 0.475 1
1 220 . 20 1 1 A 27 27 SER CA C 27 61.907 62.255 -0.348 1
1 221 . 20 1 1 A 27 27 SER HA H 27 4.100 4.087 0.013 1
1 222 . 20 1 1 A 27 27 SER CB C 27 62.115 62.943 -0.828 1
1 225 . 20 1 1 A 27 27 SER C C 27 176.423 175.751 0.672 1
1 226 . 20 1 1 A 28 28 CYS N N 28 122.742 120.585 2.157 1
1 227 . 20 1 1 A 28 28 CYS H H 28 6.956 8.020 -1.064 1
1 228 . 20 1 1 A 28 28 CYS CA C 28 61.820 62.635 -0.815 1
1 229 . 20 1 1 A 28 28 CYS HA H 28 2.705 3.203 -0.498 1
1 230 . 20 1 1 A 28 28 CYS CB C 28 26.539 26.886 -0.347 1
1 233 . 20 1 1 A 28 28 CYS C C 28 175.832 177.082 -1.250 1
1 234 . 20 1 1 A 29 29 THR N N 29 115.897 116.801 -0.904 1
1 235 . 20 1 1 A 29 29 THR H H 29 8.427 7.869 0.558 1
1 236 . 20 1 1 A 29 29 THR CA C 29 66.778 66.969 -0.191 1
1 237 . 20 1 1 A 29 29 THR HA H 29 3.884 3.907 -0.023 1
1 238 . 20 1 1 A 29 29 THR CB C 29 68.701 68.763 -0.062 1
1 244 . 20 1 1 A 29 29 THR C C 29 177.027 176.839 0.188 1
1 245 . 20 1 1 A 30 30 GLN N N 30 120.743 118.917 1.826 1
1 246 . 20 1 1 A 30 30 GLN H H 30 8.083 7.851 0.232 1
1 247 . 20 1 1 A 30 30 GLN CA C 30 58.996 58.932 0.064 1
1 248 . 20 1 1 A 30 30 GLN HA H 30 3.908 4.047 -0.139 1
1 249 . 20 1 1 A 30 30 GLN CB C 30 28.430 28.124 0.306 1
1 255 . 20 1 1 A 30 30 GLN C C 30 178.340 178.431 -0.091 1
1 256 . 20 1 1 A 31 31 HIS N N 31 118.530 120.656 -2.126 1
1 257 . 20 1 1 A 31 31 HIS H H 31 7.436 8.593 -1.157 1
1 258 . 20 1 1 A 31 31 HIS CA C 31 59.161 60.041 -0.880 1
1 259 . 20 1 1 A 31 31 HIS HA H 31 4.186 4.135 0.051 1
1 260 . 20 1 1 A 31 31 HIS CB C 31 28.230 29.839 -1.609 1
1 267 . 20 1 1 A 31 31 HIS C C 31 176.587 177.028 -0.441 1
1 268 . 20 1 1 A 32 32 GLN N N 32 117.813 118.459 -0.646 1
1 269 . 20 1 1 A 32 32 GLN H H 32 8.384 8.214 0.170 1
1 270 . 20 1 1 A 32 32 GLN CA C 32 59.325 58.980 0.345 1
1 271 . 20 1 1 A 32 32 GLN HA H 32 3.895 3.900 -0.005 1
1 272 . 20 1 1 A 32 32 GLN CB C 32 28.890 28.736 0.154 1
1 281 . 20 1 1 A 32 32 GLN C C 32 178.421 178.406 0.015 1
1 282 . 20 1 1 A 33 33 ARG N N 33 117.148 118.832 -1.684 1
1 283 . 20 1 1 A 33 33 ARG H H 33 7.394 8.124 -0.730 1
1 284 . 20 1 1 A 33 33 ARG CA C 33 58.234 58.760 -0.526 1
1 285 . 20 1 1 A 33 33 ARG HA H 33 4.123 4.060 0.063 1
1 286 . 20 1 1 A 33 33 ARG CB C 33 29.993 30.073 -0.080 1
1 295 . 20 1 1 A 33 33 ARG C C 33 177.784 178.490 -0.706 1
1 296 . 20 1 1 A 34 34 LEU N N 34 118.313 121.229 -2.916 1
1 297 . 20 1 1 A 34 34 LEU H H 34 7.675 8.177 -0.502 1
1 298 . 20 1 1 A 34 34 LEU CA C 34 56.303 57.759 -1.456 1
1 299 . 20 1 1 A 34 34 LEU HA H 34 4.058 3.984 0.074 1
1 300 . 20 1 1 A 34 34 LEU CB C 34 41.324 41.382 -0.058 1
1 313 . 20 1 1 A 34 34 LEU C C 34 178.808 179.405 -0.597 1
1 314 . 20 1 1 A 35 35 HIS N N 35 115.638 116.685 -1.047 1
1 315 . 20 1 1 A 35 35 HIS H H 35 7.266 7.637 -0.371 1
1 316 . 20 1 1 A 35 35 HIS CA C 35 56.022 59.338 -3.316 1
1 317 . 20 1 1 A 35 35 HIS HA H 35 4.712 4.245 0.467 1
1 318 . 20 1 1 A 35 35 HIS CB C 35 28.540 29.539 -0.999 1
1 325 . 20 1 1 A 35 35 HIS C C 35 175.711 176.499 -0.788 1
1 326 . 20 1 1 A 36 36 THR N N 36 112.637 113.256 -0.619 1
1 327 . 20 1 1 A 36 36 THR H H 36 7.882 8.210 -0.328 1
1 328 . 20 1 1 A 36 36 THR CA C 36 62.455 63.806 -1.351 1
1 329 . 20 1 1 A 36 36 THR HA H 36 4.359 3.948 0.411 1
1 330 . 20 1 1 A 36 36 THR CB C 36 69.921 68.458 1.463 1
1 336 . 20 1 1 A 36 36 THR C C 36 175.355 175.121 0.234 1
1 337 . 20 1 1 A 37 37 GLY N N 37 110.846 117.797 -6.951 1
1 338 . 20 1 1 A 37 37 GLY H H 37 8.350 8.681 -0.331 1
1 339 . 20 1 1 A 37 37 GLY CA C 37 45.411 46.422 -1.011 1
1 340 . 20 1 1 A 37 37 GLY HA2 H 37 4.005 3.861 0.144 1
1 341 . 20 1 1 A 37 37 GLY HA3 H 37 4.005 3.864 0.141 1
1 342 . 20 1 1 A 37 37 GLY C C 37 174.062 174.682 -0.620 1
1 343 . 20 1 1 A 38 38 GLN N N 38 119.605 124.998 -5.393 1
1 344 . 20 1 1 A 38 38 GLN H H 38 8.139 8.763 -0.624 1
1 345 . 20 1 1 A 38 38 GLN CA C 38 55.660 56.674 -1.014 1
1 346 . 20 1 1 A 38 38 GLN HA H 38 4.330 3.997 0.333 1
1 347 . 20 1 1 A 38 38 GLN CB C 38 29.565 27.370 2.195 1
1 353 . 20 1 1 A 38 38 GLN C C 38 175.790 175.172 0.618 1
1 354 . 20 1 1 A 39 39 ARG N N 39 123.670 115.774 7.896 1
1 355 . 20 1 1 A 39 39 ARG H H 39 8.405 7.940 0.465 1
1 356 . 20 1 1 A 39 39 ARG CA C 39 54.074 54.239 -0.165 1
1 357 . 20 1 1 A 39 39 ARG HA H 39 4.624 4.813 -0.189 1
1 358 . 20 1 1 A 39 39 ARG CB C 39 30.193 31.038 -0.845 1
1 367 . 20 1 1 A 39 39 ARG C C 39 174.276 174.538 -0.262 1
1 368 . 20 1 1 A 40 40 PRO CA C 40 63.263 62.293 0.970 1
1 369 . 20 1 1 A 40 40 PRO HA H 40 4.475 4.557 -0.082 1
1 370 . 20 1 1 A 40 40 PRO CB C 40 32.130 29.569 2.561 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 33 1.154 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.615 1
3 1 1 1 "RMS(OBS, PRED)" CB 29 1.264 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.504 1
5 1 1 1 "RMS(OBS, PRED)" HA 39 0.375 1
6 1 1 1 "RMS(OBS, PRED)" N 30 3.031 1
7 1 2 1 "RMS(OBS, PRED)" C 33 0.957 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.284 1
9 1 2 1 "RMS(OBS, PRED)" CB 29 1.230 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.601 1
11 1 2 1 "RMS(OBS, PRED)" HA 39 0.280 1
12 1 2 1 "RMS(OBS, PRED)" N 30 2.952 1
13 1 3 1 "RMS(OBS, PRED)" C 33 1.015 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.285 1
15 1 3 1 "RMS(OBS, PRED)" CB 29 1.127 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.478 1
17 1 3 1 "RMS(OBS, PRED)" HA 39 0.336 1
18 1 3 1 "RMS(OBS, PRED)" N 30 2.757 1
19 1 4 1 "RMS(OBS, PRED)" C 33 1.038 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.255 1
21 1 4 1 "RMS(OBS, PRED)" CB 29 1.059 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.523 1
23 1 4 1 "RMS(OBS, PRED)" HA 39 0.331 1
24 1 4 1 "RMS(OBS, PRED)" N 30 3.116 1
25 1 5 1 "RMS(OBS, PRED)" C 33 1.039 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.316 1
27 1 5 1 "RMS(OBS, PRED)" CB 29 1.459 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.531 1
29 1 5 1 "RMS(OBS, PRED)" HA 39 0.327 1
30 1 5 1 "RMS(OBS, PRED)" N 30 3.234 1
31 1 6 1 "RMS(OBS, PRED)" C 33 0.891 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.363 1
33 1 6 1 "RMS(OBS, PRED)" CB 29 1.004 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.589 1
35 1 6 1 "RMS(OBS, PRED)" HA 39 0.297 1
36 1 6 1 "RMS(OBS, PRED)" N 30 2.885 1
37 1 7 1 "RMS(OBS, PRED)" C 33 1.070 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.332 1
39 1 7 1 "RMS(OBS, PRED)" CB 29 1.166 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.534 1
41 1 7 1 "RMS(OBS, PRED)" HA 39 0.306 1
42 1 7 1 "RMS(OBS, PRED)" N 30 2.932 1
43 1 8 1 "RMS(OBS, PRED)" C 33 1.005 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.256 1
45 1 8 1 "RMS(OBS, PRED)" CB 29 1.257 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.450 1
47 1 8 1 "RMS(OBS, PRED)" HA 39 0.299 1
48 1 8 1 "RMS(OBS, PRED)" N 30 2.767 1
49 1 9 1 "RMS(OBS, PRED)" C 33 1.025 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.220 1
51 1 9 1 "RMS(OBS, PRED)" CB 29 1.004 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.554 1
53 1 9 1 "RMS(OBS, PRED)" HA 39 0.341 1
54 1 9 1 "RMS(OBS, PRED)" N 30 2.490 1
55 1 10 1 "RMS(OBS, PRED)" C 33 1.052 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.120 1
57 1 10 1 "RMS(OBS, PRED)" CB 29 1.348 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.470 1
59 1 10 1 "RMS(OBS, PRED)" HA 39 0.259 1
60 1 10 1 "RMS(OBS, PRED)" N 30 2.859 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.197 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.497 1
63 1 11 1 "RMS(OBS, PRED)" CB 29 1.298 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.518 1
65 1 11 1 "RMS(OBS, PRED)" HA 39 0.309 1
66 1 11 1 "RMS(OBS, PRED)" N 30 3.335 1
67 1 12 1 "RMS(OBS, PRED)" C 33 1.024 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.329 1
69 1 12 1 "RMS(OBS, PRED)" CB 29 1.457 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.511 1
71 1 12 1 "RMS(OBS, PRED)" HA 39 0.341 1
72 1 12 1 "RMS(OBS, PRED)" N 30 3.264 1
73 1 13 1 "RMS(OBS, PRED)" C 33 0.974 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.210 1
75 1 13 1 "RMS(OBS, PRED)" CB 29 1.120 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.491 1
77 1 13 1 "RMS(OBS, PRED)" HA 39 0.327 1
78 1 13 1 "RMS(OBS, PRED)" N 30 2.282 1
79 1 14 1 "RMS(OBS, PRED)" C 33 1.007 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.303 1
81 1 14 1 "RMS(OBS, PRED)" CB 29 1.358 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.504 1
83 1 14 1 "RMS(OBS, PRED)" HA 39 0.291 1
84 1 14 1 "RMS(OBS, PRED)" N 30 2.752 1
85 1 15 1 "RMS(OBS, PRED)" C 33 1.146 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.334 1
87 1 15 1 "RMS(OBS, PRED)" CB 29 1.036 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.552 1
89 1 15 1 "RMS(OBS, PRED)" HA 39 0.322 1
90 1 15 1 "RMS(OBS, PRED)" N 30 3.012 1
91 1 16 1 "RMS(OBS, PRED)" C 33 0.885 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.321 1
93 1 16 1 "RMS(OBS, PRED)" CB 29 1.463 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.557 1
95 1 16 1 "RMS(OBS, PRED)" HA 39 0.327 1
96 1 16 1 "RMS(OBS, PRED)" N 30 2.981 1
97 1 17 1 "RMS(OBS, PRED)" C 33 0.866 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.368 1
99 1 17 1 "RMS(OBS, PRED)" CB 29 1.389 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.496 1
101 1 17 1 "RMS(OBS, PRED)" HA 39 0.287 1
102 1 17 1 "RMS(OBS, PRED)" N 30 3.017 1
103 1 18 1 "RMS(OBS, PRED)" C 33 1.125 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.135 1
105 1 18 1 "RMS(OBS, PRED)" CB 29 1.432 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.525 1
107 1 18 1 "RMS(OBS, PRED)" HA 39 0.347 1
108 1 18 1 "RMS(OBS, PRED)" N 30 2.643 1
109 1 19 1 "RMS(OBS, PRED)" C 33 1.059 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.379 1
111 1 19 1 "RMS(OBS, PRED)" CB 29 1.142 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.602 1
113 1 19 1 "RMS(OBS, PRED)" HA 39 0.342 1
114 1 19 1 "RMS(OBS, PRED)" N 30 2.995 1
115 1 20 1 "RMS(OBS, PRED)" C 33 0.876 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.192 1
117 1 20 1 "RMS(OBS, PRED)" CB 29 1.443 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.540 1
119 1 20 1 "RMS(OBS, PRED)" HA 39 0.326 1
120 1 20 1 "RMS(OBS, PRED)" N 30 3.611 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.411 45.721 -0.310 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.041 4.049 -0.008 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.041 4.051 -0.010 2
1 4 . 1 1 A 7 7 GLY C C 7 174.569 174.086 0.483 2
1 5 . 1 1 A 8 8 THR N N 8 112.805 114.264 -1.459 2
1 6 . 1 1 A 8 8 THR H H 8 8.148 8.163 -0.015 2
1 7 . 1 1 A 8 8 THR CA C 8 61.937 61.675 0.262 2
1 8 . 1 1 A 8 8 THR HA H 8 4.368 4.562 -0.194 2
1 9 . 1 1 A 8 8 THR CB C 8 69.797 69.810 -0.013 2
1 15 . 1 1 A 8 8 THR C C 8 175.281 174.344 0.937 2
1 16 . 1 1 A 9 9 GLY N N 9 111.033 110.652 0.381 2
1 17 . 1 1 A 9 9 GLY H H 9 8.450 8.217 0.233 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.415 45.414 0.001 2
1 19 . 1 1 A 9 9 GLY HA2 H 9 3.959 4.088 -0.129 2
1 20 . 1 1 A 9 9 GLY HA3 H 9 3.959 4.095 -0.136 2
1 21 . 1 1 A 9 9 GLY C C 9 174.015 173.487 0.528 2
1 22 . 1 1 A 10 10 GLU N N 10 120.268 120.331 -0.063 2
1 23 . 1 1 A 10 10 GLU H H 10 8.220 8.399 -0.179 2
1 24 . 1 1 A 10 10 GLU CA C 10 56.694 55.782 0.912 2
1 25 . 1 1 A 10 10 GLU HA H 10 4.210 4.672 -0.462 2
1 26 . 1 1 A 10 10 GLU CB C 10 30.530 31.008 -0.477 2
1 32 . 1 1 A 10 10 GLU C C 10 176.497 175.747 0.750 2
1 33 . 1 1 A 11 11 LYS N N 11 122.135 120.983 1.152 2
1 34 . 1 1 A 11 11 LYS H H 11 8.387 8.238 0.149 2
1 35 . 1 1 A 11 11 LYS CA C 11 53.918 54.056 -0.139 2
1 36 . 1 1 A 11 11 LYS HA H 11 4.555 4.519 0.036 2
1 37 . 1 1 A 11 11 LYS CB C 11 33.223 32.916 0.307 2
1 49 . 1 1 A 11 11 LYS C C 11 174.096 175.753 -1.657 2
1 50 . 1 1 A 12 12 PRO CA C 12 63.645 64.581 -0.936 2
1 51 . 1 1 A 12 12 PRO HA H 12 4.298 4.382 -0.084 2
1 52 . 1 1 A 12 12 PRO CB C 12 32.332 31.654 0.678 2
1 61 . 1 1 A 12 12 PRO C C 12 176.462 176.627 -0.165 2
1 62 . 1 1 A 13 13 TYR N N 13 118.803 116.061 2.742 2
1 63 . 1 1 A 13 13 TYR H H 13 7.796 7.682 0.114 2
1 64 . 1 1 A 13 13 TYR CA C 13 57.652 57.428 0.224 2
1 65 . 1 1 A 13 13 TYR HA H 13 4.640 4.696 -0.056 2
1 66 . 1 1 A 13 13 TYR CB C 13 38.399 38.282 0.117 2
1 77 . 1 1 A 13 13 TYR C C 13 174.480 174.804 -0.324 2
1 78 . 1 1 A 14 14 LYS N N 14 123.448 121.621 1.827 2
1 79 . 1 1 A 14 14 LYS H H 14 8.515 7.863 0.652 2
1 80 . 1 1 A 14 14 LYS CA C 14 54.743 54.395 0.348 2
1 81 . 1 1 A 14 14 LYS HA H 14 5.139 5.000 0.139 2
1 82 . 1 1 A 14 14 LYS CB C 14 35.330 35.830 -0.500 2
1 94 . 1 1 A 14 14 LYS C C 14 175.781 175.300 0.481 2
1 95 . 1 1 A 15 15 CYS N N 15 126.149 123.451 2.698 2
1 96 . 1 1 A 15 15 CYS H H 15 9.206 8.845 0.361 2
1 97 . 1 1 A 15 15 CYS CA C 15 59.419 59.828 -0.409 2
1 98 . 1 1 A 15 15 CYS HA H 15 4.452 4.532 -0.080 2
1 99 . 1 1 A 15 15 CYS CB C 15 30.193 28.688 1.505 2
1 102 . 1 1 A 15 15 CYS C C 15 177.815 175.713 2.102 2
1 103 . 1 1 A 16 16 MET N N 16 130.364 126.586 3.778 2
1 104 . 1 1 A 16 16 MET H H 16 9.109 8.874 0.235 2
1 105 . 1 1 A 16 16 MET CA C 16 57.294 56.831 0.463 2
1 106 . 1 1 A 16 16 MET HA H 16 4.344 4.431 -0.088 2
1 107 . 1 1 A 16 16 MET CB C 16 32.125 32.651 -0.526 2
1 117 . 1 1 A 16 16 MET C C 16 176.516 177.648 -1.132 2
1 118 . 1 1 A 17 17 GLU N N 17 121.077 119.073 2.004 2
1 119 . 1 1 A 17 17 GLU H H 17 8.854 8.193 0.661 2
1 120 . 1 1 A 17 17 GLU CA C 17 58.171 59.055 -0.884 2
1 121 . 1 1 A 17 17 GLU HA H 17 4.262 4.066 0.196 2
1 122 . 1 1 A 17 17 GLU CB C 17 29.895 29.451 0.444 2
1 128 . 1 1 A 17 17 GLU C C 17 177.191 178.080 -0.889 2
1 129 . 1 1 A 18 18 CYS N N 18 115.700 115.077 0.623 2
1 130 . 1 1 A 18 18 CYS H H 18 8.241 7.768 0.473 2
1 131 . 1 1 A 18 18 CYS CA C 18 58.418 59.643 -1.225 2
1 132 . 1 1 A 18 18 CYS HA H 18 5.154 4.681 0.473 2
1 133 . 1 1 A 18 18 CYS CB C 18 32.494 30.002 2.492 2
1 136 . 1 1 A 18 18 CYS C C 18 176.450 175.653 0.797 2
1 137 . 1 1 A 19 19 GLY N N 19 113.303 109.896 3.407 2
1 138 . 1 1 A 19 19 GLY H H 19 8.052 8.319 -0.267 2
1 139 . 1 1 A 19 19 GLY CA C 19 46.231 45.738 0.493 2
1 140 . 1 1 A 19 19 GLY HA2 H 19 3.797 4.021 -0.224 2
1 141 . 1 1 A 19 19 GLY HA3 H 19 4.246 4.040 0.206 2
1 142 . 1 1 A 19 19 GLY C C 19 173.412 173.695 -0.283 2
1 143 . 1 1 A 20 20 LYS N N 20 123.674 121.719 1.955 2
1 144 . 1 1 A 20 20 LYS H H 20 8.067 7.976 0.091 2
1 145 . 1 1 A 20 20 LYS CA C 20 58.381 54.653 3.728 2
1 146 . 1 1 A 20 20 LYS HA H 20 3.928 4.677 -0.749 2
1 147 . 1 1 A 20 20 LYS CB C 20 33.713 35.400 -1.687 2
1 159 . 1 1 A 20 20 LYS C C 20 173.631 174.561 -0.930 2
1 160 . 1 1 A 21 21 ALA N N 21 125.402 125.875 -0.473 2
1 161 . 1 1 A 21 21 ALA H H 21 7.887 8.447 -0.560 2
1 162 . 1 1 A 21 21 ALA CA C 21 50.759 50.857 -0.098 2
1 163 . 1 1 A 21 21 ALA HA H 21 5.081 4.995 0.086 2
1 164 . 1 1 A 21 21 ALA CB C 21 21.883 21.088 0.795 2
1 168 . 1 1 A 21 21 ALA C C 21 176.527 176.321 0.206 2
1 169 . 1 1 A 22 22 PHE N N 22 117.170 117.796 -0.626 2
1 170 . 1 1 A 22 22 PHE H H 22 8.990 8.742 0.248 2
1 171 . 1 1 A 22 22 PHE CA C 22 57.350 56.464 0.886 2
1 172 . 1 1 A 22 22 PHE HA H 22 4.659 4.952 -0.293 2
1 173 . 1 1 A 22 22 PHE CB C 22 44.390 43.243 1.147 2
1 186 . 1 1 A 22 22 PHE C C 22 175.725 175.849 -0.124 2
1 187 . 1 1 A 23 23 GLY N N 23 107.188 110.959 -3.771 2
1 188 . 1 1 A 23 23 GLY H H 23 9.268 8.696 0.572 2
1 189 . 1 1 A 23 23 GLY CA C 23 46.079 46.579 -0.500 2
1 190 . 1 1 A 23 23 GLY HA2 H 23 4.077 3.939 0.138 2
1 191 . 1 1 A 23 23 GLY HA3 H 23 4.414 3.959 0.455 2
1 192 . 1 1 A 23 23 GLY C C 23 172.890 173.685 -0.795 2
1 193 . 1 1 A 24 24 ASP N N 24 114.453 119.218 -4.765 2
1 194 . 1 1 A 24 24 ASP H H 24 7.507 7.957 -0.450 2
1 195 . 1 1 A 24 24 ASP CA C 24 52.483 52.918 -0.435 2
1 196 . 1 1 A 24 24 ASP HA H 24 4.760 4.906 -0.146 2
1 197 . 1 1 A 24 24 ASP CB C 24 43.786 42.886 0.900 2
1 200 . 1 1 A 24 24 ASP C C 24 174.172 176.391 -2.219 2
1 201 . 1 1 A 25 25 ASN N N 25 119.702 123.416 -3.714 2
1 202 . 1 1 A 25 25 ASN H H 25 8.385 9.025 -0.640 2
1 203 . 1 1 A 25 25 ASN CA C 25 55.536 56.629 -1.093 2
1 204 . 1 1 A 25 25 ASN HA H 25 3.715 4.395 -0.680 2
1 205 . 1 1 A 25 25 ASN CB C 25 38.986 38.282 0.704 2
1 211 . 1 1 A 25 25 ASN C C 25 177.693 177.265 0.428 2
1 212 . 1 1 A 26 26 SER CA C 26 61.855 61.699 0.156 2
1 213 . 1 1 A 26 26 SER HA H 26 4.021 4.102 -0.081 2
1 214 . 1 1 A 26 26 SER CB C 26 62.050 62.898 -0.848 2
1 217 . 1 1 A 26 26 SER C C 26 177.134 176.897 0.237 2
1 218 . 1 1 A 27 27 SER N N 27 118.698 115.790 2.908 2
1 219 . 1 1 A 27 27 SER H H 27 8.647 8.140 0.507 2
1 220 . 1 1 A 27 27 SER CA C 27 61.907 61.602 0.305 2
1 221 . 1 1 A 27 27 SER HA H 27 4.100 4.100 -0.000 2
1 222 . 1 1 A 27 27 SER CB C 27 62.115 62.729 -0.614 2
1 225 . 1 1 A 27 27 SER C C 27 176.423 176.309 0.114 2
1 226 . 1 1 A 28 28 CYS N N 28 122.742 120.424 2.318 2
1 227 . 1 1 A 28 28 CYS H H 28 6.956 7.871 -0.915 2
1 228 . 1 1 A 28 28 CYS CA C 28 61.820 62.388 -0.568 2
1 229 . 1 1 A 28 28 CYS HA H 28 2.705 3.250 -0.545 2
1 230 . 1 1 A 28 28 CYS CB C 28 26.539 26.714 -0.175 2
1 233 . 1 1 A 28 28 CYS C C 28 175.832 176.883 -1.051 2
1 234 . 1 1 A 29 29 THR N N 29 115.897 115.368 0.529 2
1 235 . 1 1 A 29 29 THR H H 29 8.427 8.164 0.263 2
1 236 . 1 1 A 29 29 THR CA C 29 66.778 66.121 0.657 2
1 237 . 1 1 A 29 29 THR HA H 29 3.884 3.939 -0.055 2
1 238 . 1 1 A 29 29 THR CB C 29 68.701 68.579 0.122 2
1 244 . 1 1 A 29 29 THR C C 29 177.027 176.602 0.425 2
1 245 . 1 1 A 30 30 GLN N N 30 120.743 120.269 0.474 2
1 246 . 1 1 A 30 30 GLN H H 30 8.083 7.802 0.281 2
1 247 . 1 1 A 30 30 GLN CA C 30 58.996 58.723 0.273 2
1 248 . 1 1 A 30 30 GLN HA H 30 3.908 4.004 -0.096 2
1 249 . 1 1 A 30 30 GLN CB C 30 28.430 28.427 0.003 2
1 255 . 1 1 A 30 30 GLN C C 30 178.340 178.138 0.202 2
1 256 . 1 1 A 31 31 HIS N N 31 118.530 119.908 -1.378 2
1 257 . 1 1 A 31 31 HIS H H 31 7.436 8.051 -0.615 2
1 258 . 1 1 A 31 31 HIS CA C 31 59.161 59.735 -0.574 2
1 259 . 1 1 A 31 31 HIS HA H 31 4.186 4.065 0.121 2
1 260 . 1 1 A 31 31 HIS CB C 31 28.230 29.834 -1.604 2
1 267 . 1 1 A 31 31 HIS C C 31 176.587 176.977 -0.391 2
1 268 . 1 1 A 32 32 GLN N N 32 117.813 117.742 0.071 2
1 269 . 1 1 A 32 32 GLN H H 32 8.384 8.130 0.254 2
1 270 . 1 1 A 32 32 GLN CA C 32 59.325 58.844 0.481 2
1 271 . 1 1 A 32 32 GLN HA H 32 3.895 3.881 0.015 2
1 272 . 1 1 A 32 32 GLN CB C 32 28.890 28.346 0.544 2
1 281 . 1 1 A 32 32 GLN C C 32 178.421 178.104 0.317 2
1 282 . 1 1 A 33 33 ARG N N 33 117.148 119.443 -2.295 2
1 283 . 1 1 A 33 33 ARG H H 33 7.394 8.048 -0.654 2
1 284 . 1 1 A 33 33 ARG CA C 33 58.234 58.874 -0.640 2
1 285 . 1 1 A 33 33 ARG HA H 33 4.123 4.060 0.063 2
1 286 . 1 1 A 33 33 ARG CB C 33 29.993 29.967 0.026 2
1 295 . 1 1 A 33 33 ARG C C 33 177.784 178.554 -0.770 2
1 296 . 1 1 A 34 34 LEU N N 34 118.313 119.232 -0.919 2
1 297 . 1 1 A 34 34 LEU H H 34 7.675 7.807 -0.132 2
1 298 . 1 1 A 34 34 LEU CA C 34 56.303 57.567 -1.264 2
1 299 . 1 1 A 34 34 LEU HA H 34 4.058 3.957 0.101 2
1 300 . 1 1 A 34 34 LEU CB C 34 41.324 41.387 -0.063 2
1 313 . 1 1 A 34 34 LEU C C 34 178.808 178.694 0.114 2
1 314 . 1 1 A 35 35 HIS N N 35 115.638 117.033 -1.395 2
1 315 . 1 1 A 35 35 HIS H H 35 7.266 7.635 -0.369 2
1 316 . 1 1 A 35 35 HIS CA C 35 56.022 58.648 -2.626 2
1 317 . 1 1 A 35 35 HIS HA H 35 4.712 4.339 0.373 2
1 318 . 1 1 A 35 35 HIS CB C 35 28.540 29.743 -1.203 2
1 325 . 1 1 A 35 35 HIS C C 35 175.711 176.123 -0.412 2
1 326 . 1 1 A 36 36 THR N N 36 112.637 113.009 -0.372 2
1 327 . 1 1 A 36 36 THR H H 36 7.882 7.845 0.037 2
1 328 . 1 1 A 36 36 THR CA C 36 62.455 63.184 -0.729 2
1 329 . 1 1 A 36 36 THR HA H 36 4.359 4.205 0.154 2
1 330 . 1 1 A 36 36 THR CB C 36 69.921 68.953 0.968 2
1 336 . 1 1 A 36 36 THR C C 36 175.355 174.982 0.373 2
1 337 . 1 1 A 37 37 GLY N N 37 110.846 111.243 -0.397 2
1 338 . 1 1 A 37 37 GLY H H 37 8.350 8.224 0.126 2
1 339 . 1 1 A 37 37 GLY CA C 37 45.411 45.671 -0.260 2
1 340 . 1 1 A 37 37 GLY HA2 H 37 4.005 4.019 -0.014 2
1 341 . 1 1 A 37 37 GLY HA3 H 37 4.005 4.023 -0.018 2
1 342 . 1 1 A 37 37 GLY C C 37 174.062 174.040 0.022 2
1 343 . 1 1 A 38 38 GLN N N 38 119.605 121.409 -1.804 2
1 344 . 1 1 A 38 38 GLN H H 38 8.139 8.367 -0.228 2
1 345 . 1 1 A 38 38 GLN CA C 38 55.660 56.079 -0.419 2
1 346 . 1 1 A 38 38 GLN HA H 38 4.330 4.336 -0.006 2
1 347 . 1 1 A 38 38 GLN CB C 38 29.565 29.105 0.460 2
1 353 . 1 1 A 38 38 GLN C C 38 175.790 175.037 0.753 2
1 354 . 1 1 A 39 39 ARG N N 39 123.670 120.683 2.987 2
1 355 . 1 1 A 39 39 ARG H H 39 8.405 8.210 0.195 2
1 356 . 1 1 A 39 39 ARG CA C 39 54.074 54.392 -0.318 2
1 357 . 1 1 A 39 39 ARG HA H 39 4.624 4.567 0.057 2
1 358 . 1 1 A 39 39 ARG CB C 39 30.193 30.750 -0.557 2
1 367 . 1 1 A 39 39 ARG C C 39 174.276 174.951 -0.675 2
1 368 . 1 1 A 40 40 PRO CA C 40 63.263 63.334 -0.071 2
1 369 . 1 1 A 40 40 PRO HA H 40 4.475 4.535 -0.060 2
1 370 . 1 1 A 40 40 PRO CB C 40 32.130 31.700 0.430 2
stop_
save_