data_10168_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10168
_Entry.PDB_ID 2EM3
_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 45.478 44.955 0.523 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.042 4.077 -0.035 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.042 4.078 -0.036 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.517 173.509 1.008 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.852 114.887 -2.035 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.150 8.500 -0.350 1
1 7 . 1 1 1 A 8 8 THR CA C 8 62.463 64.962 -2.499 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.364 3.933 0.431 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.776 68.564 1.212 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.241 174.912 0.329 1
1 16 . 1 1 1 A 9 9 GLY N N 9 111.036 112.813 -1.777 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.423 8.509 -0.086 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.273 44.037 1.236 1
1 19 . 1 1 1 A 9 9 GLY HA2 H 9 3.918 4.074 -0.156 1
1 20 . 1 1 1 A 9 9 GLY HA3 H 9 3.965 4.074 -0.109 1
1 21 . 1 1 1 A 9 9 GLY C C 9 174.013 172.240 1.773 1
1 22 . 1 1 1 A 10 10 GLU N N 10 120.348 118.440 1.908 1
1 23 . 1 1 1 A 10 10 GLU H H 10 8.209 8.565 -0.356 1
1 24 . 1 1 1 A 10 10 GLU CA C 10 56.820 54.726 2.094 1
1 25 . 1 1 1 A 10 10 GLU HA H 10 4.193 5.058 -0.865 1
1 26 . 1 1 1 A 10 10 GLU CB C 10 30.457 33.986 -3.529 1
1 32 . 1 1 1 A 10 10 GLU C C 10 176.284 175.489 0.795 1
1 33 . 1 1 1 A 11 11 LYS N N 11 121.889 123.099 -1.210 1
1 34 . 1 1 1 A 11 11 LYS H H 11 8.297 8.645 -0.348 1
1 35 . 1 1 1 A 11 11 LYS CA C 11 53.828 54.318 -0.490 1
1 36 . 1 1 1 A 11 11 LYS HA H 11 4.504 4.523 -0.019 1
1 37 . 1 1 1 A 11 11 LYS CB C 11 32.938 31.977 0.961 1
1 48 . 1 1 1 A 12 12 PRO CA C 12 63.404 64.531 -1.127 1
1 49 . 1 1 1 A 12 12 PRO HA H 12 4.258 4.284 -0.026 1
1 50 . 1 1 1 A 12 12 PRO CB C 12 32.224 31.701 0.523 1
1 59 . 1 1 1 A 12 12 PRO C C 12 176.340 175.828 0.512 1
1 60 . 1 1 1 A 13 13 TYR N N 13 118.367 118.153 0.214 1
1 61 . 1 1 1 A 13 13 TYR H H 13 7.933 7.609 0.324 1
1 62 . 1 1 1 A 13 13 TYR CA C 13 57.250 57.205 0.045 1
1 63 . 1 1 1 A 13 13 TYR HA H 13 4.664 5.204 -0.540 1
1 64 . 1 1 1 A 13 13 TYR CB C 13 38.486 40.679 -2.193 1
1 75 . 1 1 1 A 13 13 TYR C C 13 174.622 174.620 0.002 1
1 76 . 1 1 1 A 14 14 GLU N N 14 124.142 124.082 0.060 1
1 77 . 1 1 1 A 14 14 GLU H H 14 8.524 9.110 -0.586 1
1 78 . 1 1 1 A 14 14 GLU CA C 14 55.138 55.138 0.000 1
1 79 . 1 1 1 A 14 14 GLU HA H 14 4.883 5.224 -0.341 1
1 80 . 1 1 1 A 14 14 GLU CB C 14 32.979 33.739 -0.760 1
1 86 . 1 1 1 A 14 14 GLU C C 14 175.112 174.615 0.497 1
1 87 . 1 1 1 A 15 15 CYS N N 15 126.468 124.502 1.966 1
1 88 . 1 1 1 A 15 15 CYS H H 15 9.176 9.441 -0.265 1
1 89 . 1 1 1 A 15 15 CYS CA C 15 59.621 58.345 1.276 1
1 90 . 1 1 1 A 15 15 CYS HA H 15 4.549 4.892 -0.343 1
1 91 . 1 1 1 A 15 15 CYS CB C 15 29.673 29.336 0.337 1
1 94 . 1 1 1 A 15 15 CYS C C 15 177.028 174.805 2.223 1
1 95 . 1 1 1 A 16 16 LYS N N 16 130.332 124.721 5.611 1
1 96 . 1 1 1 A 16 16 LYS H H 16 9.220 8.968 0.252 1
1 97 . 1 1 1 A 16 16 LYS CA C 16 57.744 57.146 0.598 1
1 98 . 1 1 1 A 16 16 LYS HA H 16 4.284 4.507 -0.223 1
1 99 . 1 1 1 A 16 16 LYS CB C 16 32.162 33.721 -1.559 1
1 111 . 1 1 1 A 16 16 LYS C C 16 177.052 178.433 -1.381 1
1 112 . 1 1 1 A 17 17 VAL N N 17 121.440 119.720 1.720 1
1 113 . 1 1 1 A 17 17 VAL H H 17 8.817 7.805 1.012 1
1 114 . 1 1 1 A 17 17 VAL CA C 17 65.126 66.682 -1.556 1
1 115 . 1 1 1 A 17 17 VAL HA H 17 3.787 3.475 0.312 1
1 116 . 1 1 1 A 17 17 VAL CB C 17 32.790 31.245 1.545 1
1 126 . 1 1 1 A 17 17 VAL C C 17 177.095 177.666 -0.571 1
1 127 . 1 1 1 A 18 18 CYS N N 18 116.697 116.737 -0.040 1
1 128 . 1 1 1 A 18 18 CYS H H 18 8.024 7.980 0.044 1
1 129 . 1 1 1 A 18 18 CYS CA C 18 58.412 59.861 -1.449 1
1 130 . 1 1 1 A 18 18 CYS HA H 18 5.148 4.525 0.623 1
1 131 . 1 1 1 A 18 18 CYS CB C 18 32.282 29.121 3.161 1
1 134 . 1 1 1 A 18 18 CYS C C 18 175.649 175.148 0.501 1
1 135 . 1 1 1 A 19 19 SER N N 19 115.473 115.936 -0.463 1
1 136 . 1 1 1 A 19 19 SER H H 19 8.025 8.301 -0.276 1
1 137 . 1 1 1 A 19 19 SER CA C 19 61.107 59.237 1.870 1
1 138 . 1 1 1 A 19 19 SER HA H 19 4.344 4.449 -0.105 1
1 139 . 1 1 1 A 19 19 SER CB C 19 62.187 61.924 0.263 1
1 142 . 1 1 1 A 19 19 SER C C 19 173.220 173.862 -0.642 1
1 143 . 1 1 1 A 20 20 LYS N N 20 123.593 121.173 2.420 1
1 144 . 1 1 1 A 20 20 LYS H H 20 8.026 7.263 0.763 1
1 145 . 1 1 1 A 20 20 LYS CA C 20 58.115 55.201 2.914 1
1 146 . 1 1 1 A 20 20 LYS HA H 20 4.007 4.693 -0.686 1
1 147 . 1 1 1 A 20 20 LYS CB C 20 33.813 34.300 -0.487 1
1 159 . 1 1 1 A 20 20 LYS C C 20 173.846 175.254 -1.408 1
1 160 . 1 1 1 A 21 21 ALA N N 21 124.213 127.359 -3.146 1
1 161 . 1 1 1 A 21 21 ALA H H 21 7.837 8.670 -0.833 1
1 162 . 1 1 1 A 21 21 ALA CA C 21 50.509 50.075 0.434 1
1 163 . 1 1 1 A 21 21 ALA HA H 21 5.125 5.627 -0.502 1
1 164 . 1 1 1 A 21 21 ALA CB C 21 22.361 21.938 0.423 1
1 168 . 1 1 1 A 21 21 ALA C C 21 176.165 176.277 -0.112 1
1 169 . 1 1 1 A 22 22 PHE N N 22 116.773 118.033 -1.260 1
1 170 . 1 1 1 A 22 22 PHE H H 22 8.660 9.036 -0.376 1
1 171 . 1 1 1 A 22 22 PHE CA C 22 57.228 56.528 0.700 1
1 172 . 1 1 1 A 22 22 PHE HA H 22 4.872 4.886 -0.014 1
1 173 . 1 1 1 A 22 22 PHE CB C 22 43.970 42.834 1.136 1
1 186 . 1 1 1 A 22 22 PHE C C 22 175.596 175.986 -0.390 1
1 187 . 1 1 1 A 23 23 THR N N 23 112.435 116.814 -4.379 1
1 188 . 1 1 1 A 23 23 THR H H 23 9.419 8.654 0.765 1
1 189 . 1 1 1 A 23 23 THR CA C 23 63.752 63.835 -0.083 1
1 190 . 1 1 1 A 23 23 THR HA H 23 4.538 4.323 0.215 1
1 191 . 1 1 1 A 23 23 THR CB C 23 69.791 69.878 -0.087 1
1 197 . 1 1 1 A 23 23 THR C C 23 174.879 173.998 0.881 1
1 198 . 1 1 1 A 24 24 GLN N N 24 116.006 117.401 -1.395 1
1 199 . 1 1 1 A 24 24 GLN H H 24 7.257 7.568 -0.311 1
1 200 . 1 1 1 A 24 24 GLN CA C 24 53.833 54.008 -0.175 1
1 201 . 1 1 1 A 24 24 GLN HA H 24 4.721 4.587 0.134 1
1 202 . 1 1 1 A 24 24 GLN CB C 24 31.008 32.227 -1.219 1
1 211 . 1 1 1 A 24 24 GLN C C 24 176.152 175.668 0.484 1
1 212 . 1 1 1 A 25 25 LYS N N 25 127.585 120.691 6.894 1
1 213 . 1 1 1 A 25 25 LYS H H 25 8.608 8.401 0.207 1
1 214 . 1 1 1 A 25 25 LYS CA C 25 59.831 58.702 1.129 1
1 215 . 1 1 1 A 25 25 LYS HA H 25 2.994 3.419 -0.425 1
1 216 . 1 1 1 A 25 25 LYS CB C 25 31.771 31.791 -0.020 1
1 228 . 1 1 1 A 25 25 LYS C C 25 178.888 178.550 0.338 1
1 229 . 1 1 1 A 26 26 ALA CA C 26 54.777 55.124 -0.347 1
1 230 . 1 1 1 A 26 26 ALA HA H 26 4.073 4.046 0.027 1
1 231 . 1 1 1 A 26 26 ALA CB C 26 18.221 18.527 -0.306 1
1 235 . 1 1 1 A 26 26 ALA C C 26 180.193 179.506 0.687 1
1 236 . 1 1 1 A 27 27 HIS N N 27 115.655 116.013 -0.358 1
1 237 . 1 1 1 A 27 27 HIS H H 27 6.808 8.046 -1.238 1
1 238 . 1 1 1 A 27 27 HIS CA C 27 56.597 59.495 -2.898 1
1 239 . 1 1 1 A 27 27 HIS HA H 27 4.441 4.327 0.114 1
1 240 . 1 1 1 A 27 27 HIS CB C 27 31.644 29.825 1.819 1
1 247 . 1 1 1 A 27 27 HIS C C 27 178.584 177.316 1.268 1
1 248 . 1 1 1 A 28 28 LEU N N 28 121.599 120.105 1.494 1
1 249 . 1 1 1 A 28 28 LEU H H 28 7.008 7.460 -0.452 1
1 250 . 1 1 1 A 28 28 LEU CA C 28 57.764 57.543 0.221 1
1 251 . 1 1 1 A 28 28 LEU HA H 28 3.280 2.616 0.664 1
1 252 . 1 1 1 A 28 28 LEU CB C 28 40.215 41.533 -1.318 1
1 265 . 1 1 1 A 28 28 LEU C C 28 177.435 177.857 -0.422 1
1 266 . 1 1 1 A 29 29 ALA N N 29 121.543 120.082 1.461 1
1 267 . 1 1 1 A 29 29 ALA H H 29 8.100 8.648 -0.548 1
1 268 . 1 1 1 A 29 29 ALA CA C 29 55.208 55.556 -0.348 1
1 269 . 1 1 1 A 29 29 ALA HA H 29 4.148 3.926 0.222 1
1 270 . 1 1 1 A 29 29 ALA CB C 29 17.731 18.424 -0.693 1
1 274 . 1 1 1 A 29 29 ALA C C 29 180.709 179.974 0.735 1
1 275 . 1 1 1 A 30 30 GLN N N 30 116.397 116.967 -0.570 1
1 276 . 1 1 1 A 30 30 GLN H H 30 7.564 7.914 -0.350 1
1 277 . 1 1 1 A 30 30 GLN CA C 30 58.469 59.029 -0.560 1
1 278 . 1 1 1 A 30 30 GLN HA H 30 3.997 3.981 0.016 1
1 279 . 1 1 1 A 30 30 GLN CB C 30 28.395 28.474 -0.079 1
1 288 . 1 1 1 A 30 30 GLN C C 30 178.538 178.031 0.507 1
1 289 . 1 1 1 A 31 31 HIS N N 31 119.006 119.785 -0.779 1
1 290 . 1 1 1 A 31 31 HIS H H 31 7.685 8.290 -0.605 1
1 291 . 1 1 1 A 31 31 HIS CA C 31 59.033 59.662 -0.629 1
1 292 . 1 1 1 A 31 31 HIS HA H 31 4.262 4.222 0.040 1
1 293 . 1 1 1 A 31 31 HIS CB C 31 28.627 29.644 -1.017 1
1 300 . 1 1 1 A 31 31 HIS C C 31 177.956 176.665 1.291 1
1 301 . 1 1 1 A 32 32 GLN N N 32 119.870 117.115 2.755 1
1 302 . 1 1 1 A 32 32 GLN H H 32 8.809 8.223 0.586 1
1 303 . 1 1 1 A 32 32 GLN CA C 32 59.611 59.133 0.478 1
1 304 . 1 1 1 A 32 32 GLN HA H 32 3.747 3.599 0.148 1
1 305 . 1 1 1 A 32 32 GLN CB C 32 28.255 28.087 0.168 1
1 314 . 1 1 1 A 32 32 GLN C C 32 177.728 178.553 -0.825 1
1 315 . 1 1 1 A 33 33 LYS N N 33 116.864 119.170 -2.306 1
1 316 . 1 1 1 A 33 33 LYS H H 33 7.108 7.646 -0.538 1
1 317 . 1 1 1 A 33 33 LYS CA C 33 58.613 59.047 -0.434 1
1 318 . 1 1 1 A 33 33 LYS HA H 33 4.149 3.898 0.251 1
1 319 . 1 1 1 A 33 33 LYS CB C 33 32.203 32.406 -0.203 1
1 331 . 1 1 1 A 33 33 LYS C C 33 178.099 178.619 -0.520 1
1 332 . 1 1 1 A 34 34 THR N N 34 109.562 113.003 -3.441 1
1 333 . 1 1 1 A 34 34 THR H H 34 7.736 8.372 -0.636 1
1 334 . 1 1 1 A 34 34 THR CA C 34 63.792 65.377 -1.585 1
1 335 . 1 1 1 A 34 34 THR HA H 34 4.131 3.969 0.162 1
1 336 . 1 1 1 A 34 34 THR CB C 34 69.387 67.865 1.522 1
1 342 . 1 1 1 A 34 34 THR C C 34 175.335 176.704 -1.369 1
1 343 . 1 1 1 A 35 35 HIS N N 35 118.240 119.147 -0.907 1
1 344 . 1 1 1 A 35 35 HIS H H 35 7.156 7.779 -0.623 1
1 345 . 1 1 1 A 35 35 HIS CA C 35 55.103 59.378 -4.275 1
1 346 . 1 1 1 A 35 35 HIS HA H 35 4.972 4.200 0.772 1
1 347 . 1 1 1 A 35 35 HIS CB C 35 28.657 29.788 -1.131 1
1 354 . 1 1 1 A 35 35 HIS C C 35 175.393 175.072 0.321 1
1 355 . 1 1 1 A 36 36 THR N N 36 113.040 110.343 2.697 1
1 356 . 1 1 1 A 36 36 THR H H 36 7.839 7.652 0.187 1
1 357 . 1 1 1 A 36 36 THR CA C 36 61.871 63.039 -1.168 1
1 358 . 1 1 1 A 36 36 THR HA H 36 4.369 3.779 0.590 1
1 359 . 1 1 1 A 36 36 THR CB C 36 69.836 66.583 3.253 1
1 365 . 1 1 1 A 36 36 THR C C 36 175.280 173.581 1.699 1
1 366 . 1 1 1 A 37 37 GLY CA C 37 45.249 44.332 0.917 1
1 367 . 1 1 1 A 37 37 GLY HA2 H 37 4.008 4.253 -0.245 1
1 368 . 1 1 1 A 37 37 GLY HA3 H 37 4.008 4.257 -0.249 1
1 369 . 1 1 1 A 37 37 GLY C C 37 174.005 171.937 2.068 1
1 370 . 1 1 1 A 38 38 GLU N N 38 120.596 122.879 -2.283 1
1 371 . 1 1 1 A 38 38 GLU H H 38 8.130 8.917 -0.787 1
1 372 . 1 1 1 A 38 38 GLU CA C 38 56.422 55.061 1.361 1
1 373 . 1 1 1 A 38 38 GLU HA H 38 4.265 4.947 -0.682 1
1 374 . 1 1 1 A 38 38 GLU CB C 38 30.578 31.411 -0.833 1
1 380 . 1 1 1 A 38 38 GLU C C 38 176.250 175.305 0.945 1
1 381 . 1 1 1 A 39 39 LYS N N 39 123.746 126.316 -2.570 1
1 382 . 1 1 1 A 39 39 LYS H H 39 8.424 8.452 -0.028 1
1 383 . 1 1 1 A 39 39 LYS CA C 39 54.157 53.023 1.134 1
1 384 . 1 1 1 A 39 39 LYS HA H 39 4.612 4.753 -0.141 1
1 385 . 1 1 1 A 39 39 LYS CB C 39 32.575 34.041 -1.466 1
1 395 . 1 1 1 A 39 39 LYS C C 39 174.466 173.806 0.660 1
1 396 . 1 1 1 A 40 40 PRO CA C 40 63.253 62.285 0.968 1
1 397 . 1 1 1 A 40 40 PRO HA H 40 4.480 4.643 -0.163 1
1 398 . 1 1 1 A 40 40 PRO CB C 40 32.250 33.068 -0.818 1
1 406 . 1 1 1 A 42 42 GLY N N 42 110.630 114.690 -4.060 1
1 407 . 1 1 1 A 42 42 GLY H H 42 8.218 8.789 -0.571 1
1 408 . 1 1 1 A 42 42 GLY CA C 42 44.674 44.232 0.442 1
1 409 . 1 1 1 A 42 42 GLY HA2 H 42 4.116 4.039 0.077 1
1 410 . 1 1 1 A 42 42 GLY HA3 H 42 4.165 4.040 0.125 1
1 411 . 1 1 1 A 43 43 PRO CA C 43 63.242 62.673 0.569 1
1 412 . 1 1 1 A 43 43 PRO HA H 43 4.487 4.322 0.165 1
1 413 . 1 1 1 A 43 43 PRO CB C 43 32.343 32.657 -0.314 1
1 420 . 1 1 1 A 44 44 SER N N 44 116.476 117.484 -1.008 1
1 421 . 1 1 1 A 44 44 SER H H 44 8.466 8.938 -0.472 1
1 422 . 1 1 1 A 44 44 SER CA C 44 58.347 59.045 -0.698 1
1 423 . 1 1 1 A 44 44 SER HA H 44 4.479 4.157 0.322 1
1 424 . 1 1 1 A 44 44 SER CB C 44 64.148 62.111 2.037 1
1 426 . 1 1 1 A 45 45 SER CA C 45 58.438 61.064 -2.626 1
1 427 . 1 1 1 A 45 45 SER HA H 45 4.493 4.171 0.322 1
1 428 . 1 1 1 A 45 45 SER CB C 45 63.960 63.184 0.776 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.478 44.468 1.010 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.042 4.145 -0.103 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.042 4.148 -0.106 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.517 174.754 -0.237 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.852 113.925 -1.073 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.150 8.474 -0.324 1
1 7 . 2 1 1 A 8 8 THR CA C 8 62.463 63.477 -1.014 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.364 4.160 0.204 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.776 69.720 0.056 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.241 174.762 0.479 1
1 16 . 2 1 1 A 9 9 GLY N N 9 111.036 110.095 0.941 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.423 7.848 0.575 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.273 44.737 0.536 1
1 19 . 2 1 1 A 9 9 GLY HA2 H 9 3.918 4.005 -0.087 1
1 20 . 2 1 1 A 9 9 GLY HA3 H 9 3.965 4.006 -0.041 1
1 21 . 2 1 1 A 9 9 GLY C C 9 174.013 173.233 0.780 1
1 22 . 2 1 1 A 10 10 GLU N N 10 120.348 122.487 -2.139 1
1 23 . 2 1 1 A 10 10 GLU H H 10 8.209 8.718 -0.509 1
1 24 . 2 1 1 A 10 10 GLU CA C 10 56.820 55.173 1.647 1
1 25 . 2 1 1 A 10 10 GLU HA H 10 4.193 4.576 -0.383 1
1 26 . 2 1 1 A 10 10 GLU CB C 10 30.457 30.228 0.229 1
1 32 . 2 1 1 A 10 10 GLU C C 10 176.284 175.529 0.755 1
1 33 . 2 1 1 A 11 11 LYS N N 11 121.889 122.356 -0.467 1
1 34 . 2 1 1 A 11 11 LYS H H 11 8.297 7.289 1.008 1
1 35 . 2 1 1 A 11 11 LYS CA C 11 53.828 53.317 0.511 1
1 36 . 2 1 1 A 11 11 LYS HA H 11 4.504 4.632 -0.128 1
1 37 . 2 1 1 A 11 11 LYS CB C 11 32.938 32.725 0.213 1
1 48 . 2 1 1 A 12 12 PRO CA C 12 63.404 64.296 -0.892 1
1 49 . 2 1 1 A 12 12 PRO HA H 12 4.258 4.303 -0.045 1
1 50 . 2 1 1 A 12 12 PRO CB C 12 32.224 31.542 0.682 1
1 59 . 2 1 1 A 12 12 PRO C C 12 176.340 175.743 0.597 1
1 60 . 2 1 1 A 13 13 TYR N N 13 118.367 118.240 0.127 1
1 61 . 2 1 1 A 13 13 TYR H H 13 7.933 7.538 0.395 1
1 62 . 2 1 1 A 13 13 TYR CA C 13 57.250 56.911 0.339 1
1 63 . 2 1 1 A 13 13 TYR HA H 13 4.664 5.340 -0.676 1
1 64 . 2 1 1 A 13 13 TYR CB C 13 38.486 40.822 -2.336 1
1 75 . 2 1 1 A 13 13 TYR C C 13 174.622 174.339 0.283 1
1 76 . 2 1 1 A 14 14 GLU N N 14 124.142 125.037 -0.895 1
1 77 . 2 1 1 A 14 14 GLU H H 14 8.524 9.133 -0.609 1
1 78 . 2 1 1 A 14 14 GLU CA C 14 55.138 54.831 0.307 1
1 79 . 2 1 1 A 14 14 GLU HA H 14 4.883 5.484 -0.601 1
1 80 . 2 1 1 A 14 14 GLU CB C 14 32.979 33.562 -0.583 1
1 86 . 2 1 1 A 14 14 GLU C C 14 175.112 174.875 0.237 1
1 87 . 2 1 1 A 15 15 CYS N N 15 126.468 125.689 0.779 1
1 88 . 2 1 1 A 15 15 CYS H H 15 9.176 9.350 -0.174 1
1 89 . 2 1 1 A 15 15 CYS CA C 15 59.621 59.168 0.453 1
1 90 . 2 1 1 A 15 15 CYS HA H 15 4.549 4.790 -0.241 1
1 91 . 2 1 1 A 15 15 CYS CB C 15 29.673 29.510 0.163 1
1 94 . 2 1 1 A 15 15 CYS C C 15 177.028 174.638 2.390 1
1 95 . 2 1 1 A 16 16 LYS N N 16 130.332 124.765 5.567 1
1 96 . 2 1 1 A 16 16 LYS H H 16 9.220 8.880 0.340 1
1 97 . 2 1 1 A 16 16 LYS CA C 16 57.744 57.132 0.612 1
1 98 . 2 1 1 A 16 16 LYS HA H 16 4.284 4.494 -0.210 1
1 99 . 2 1 1 A 16 16 LYS CB C 16 32.162 33.704 -1.542 1
1 111 . 2 1 1 A 16 16 LYS C C 16 177.052 178.319 -1.267 1
1 112 . 2 1 1 A 17 17 VAL N N 17 121.440 119.773 1.667 1
1 113 . 2 1 1 A 17 17 VAL H H 17 8.817 7.779 1.038 1
1 114 . 2 1 1 A 17 17 VAL CA C 17 65.126 66.740 -1.614 1
1 115 . 2 1 1 A 17 17 VAL HA H 17 3.787 3.465 0.322 1
1 116 . 2 1 1 A 17 17 VAL CB C 17 32.790 31.139 1.651 1
1 126 . 2 1 1 A 17 17 VAL C C 17 177.095 177.709 -0.614 1
1 127 . 2 1 1 A 18 18 CYS N N 18 116.697 116.949 -0.252 1
1 128 . 2 1 1 A 18 18 CYS H H 18 8.024 7.800 0.224 1
1 129 . 2 1 1 A 18 18 CYS CA C 18 58.412 59.729 -1.317 1
1 130 . 2 1 1 A 18 18 CYS HA H 18 5.148 4.470 0.678 1
1 131 . 2 1 1 A 18 18 CYS CB C 18 32.282 28.665 3.617 1
1 134 . 2 1 1 A 18 18 CYS C C 18 175.649 174.777 0.872 1
1 135 . 2 1 1 A 19 19 SER N N 19 115.473 112.889 2.584 1
1 136 . 2 1 1 A 19 19 SER H H 19 8.025 8.096 -0.071 1
1 137 . 2 1 1 A 19 19 SER CA C 19 61.107 59.183 1.924 1
1 138 . 2 1 1 A 19 19 SER HA H 19 4.344 4.518 -0.174 1
1 139 . 2 1 1 A 19 19 SER CB C 19 62.187 60.991 1.196 1
1 142 . 2 1 1 A 19 19 SER C C 19 173.220 172.742 0.478 1
1 143 . 2 1 1 A 20 20 LYS N N 20 123.593 119.976 3.617 1
1 144 . 2 1 1 A 20 20 LYS H H 20 8.026 7.689 0.337 1
1 145 . 2 1 1 A 20 20 LYS CA C 20 58.115 54.698 3.417 1
1 146 . 2 1 1 A 20 20 LYS HA H 20 4.007 4.783 -0.776 1
1 147 . 2 1 1 A 20 20 LYS CB C 20 33.813 35.044 -1.231 1
1 159 . 2 1 1 A 20 20 LYS C C 20 173.846 175.011 -1.165 1
1 160 . 2 1 1 A 21 21 ALA N N 21 124.213 125.951 -1.738 1
1 161 . 2 1 1 A 21 21 ALA H H 21 7.837 8.463 -0.626 1
1 162 . 2 1 1 A 21 21 ALA CA C 21 50.509 49.725 0.784 1
1 163 . 2 1 1 A 21 21 ALA HA H 21 5.125 5.435 -0.310 1
1 164 . 2 1 1 A 21 21 ALA CB C 21 22.361 22.587 -0.226 1
1 168 . 2 1 1 A 21 21 ALA C C 21 176.165 175.563 0.602 1
1 169 . 2 1 1 A 22 22 PHE N N 22 116.773 117.746 -0.973 1
1 170 . 2 1 1 A 22 22 PHE H H 22 8.660 8.518 0.142 1
1 171 . 2 1 1 A 22 22 PHE CA C 22 57.228 56.728 0.500 1
1 172 . 2 1 1 A 22 22 PHE HA H 22 4.872 4.898 -0.026 1
1 173 . 2 1 1 A 22 22 PHE CB C 22 43.970 43.516 0.454 1
1 186 . 2 1 1 A 22 22 PHE C C 22 175.596 175.789 -0.193 1
1 187 . 2 1 1 A 23 23 THR N N 23 112.435 116.812 -4.377 1
1 188 . 2 1 1 A 23 23 THR H H 23 9.419 8.786 0.633 1
1 189 . 2 1 1 A 23 23 THR CA C 23 63.752 64.797 -1.045 1
1 190 . 2 1 1 A 23 23 THR HA H 23 4.538 4.386 0.152 1
1 191 . 2 1 1 A 23 23 THR CB C 23 69.791 69.852 -0.061 1
1 197 . 2 1 1 A 23 23 THR C C 23 174.879 174.133 0.746 1
1 198 . 2 1 1 A 24 24 GLN N N 24 116.006 117.601 -1.595 1
1 199 . 2 1 1 A 24 24 GLN H H 24 7.257 7.899 -0.642 1
1 200 . 2 1 1 A 24 24 GLN CA C 24 53.833 54.403 -0.570 1
1 201 . 2 1 1 A 24 24 GLN HA H 24 4.721 4.662 0.059 1
1 202 . 2 1 1 A 24 24 GLN CB C 24 31.008 31.485 -0.477 1
1 211 . 2 1 1 A 24 24 GLN C C 24 176.152 175.800 0.352 1
1 212 . 2 1 1 A 25 25 LYS N N 25 127.585 123.204 4.381 1
1 213 . 2 1 1 A 25 25 LYS H H 25 8.608 8.470 0.138 1
1 214 . 2 1 1 A 25 25 LYS CA C 25 59.831 58.736 1.095 1
1 215 . 2 1 1 A 25 25 LYS HA H 25 2.994 2.971 0.023 1
1 216 . 2 1 1 A 25 25 LYS CB C 25 31.771 31.946 -0.175 1
1 228 . 2 1 1 A 25 25 LYS C C 25 178.888 178.016 0.872 1
1 229 . 2 1 1 A 26 26 ALA CA C 26 54.777 55.116 -0.339 1
1 230 . 2 1 1 A 26 26 ALA HA H 26 4.073 3.956 0.117 1
1 231 . 2 1 1 A 26 26 ALA CB C 26 18.221 18.343 -0.122 1
1 235 . 2 1 1 A 26 26 ALA C C 26 180.193 179.582 0.611 1
1 236 . 2 1 1 A 27 27 HIS N N 27 115.655 116.001 -0.346 1
1 237 . 2 1 1 A 27 27 HIS H H 27 6.808 7.790 -0.982 1
1 238 . 2 1 1 A 27 27 HIS CA C 27 56.597 59.087 -2.490 1
1 239 . 2 1 1 A 27 27 HIS HA H 27 4.441 4.247 0.194 1
1 240 . 2 1 1 A 27 27 HIS CB C 27 31.644 29.634 2.010 1
1 247 . 2 1 1 A 27 27 HIS C C 27 178.584 177.465 1.119 1
1 248 . 2 1 1 A 28 28 LEU N N 28 121.599 120.896 0.703 1
1 249 . 2 1 1 A 28 28 LEU H H 28 7.008 7.951 -0.943 1
1 250 . 2 1 1 A 28 28 LEU CA C 28 57.764 57.577 0.187 1
1 251 . 2 1 1 A 28 28 LEU HA H 28 3.280 3.280 0.000 1
1 252 . 2 1 1 A 28 28 LEU CB C 28 40.215 41.554 -1.339 1
1 265 . 2 1 1 A 28 28 LEU C C 28 177.435 178.029 -0.594 1
1 266 . 2 1 1 A 29 29 ALA N N 29 121.543 120.938 0.605 1
1 267 . 2 1 1 A 29 29 ALA H H 29 8.100 8.544 -0.444 1
1 268 . 2 1 1 A 29 29 ALA CA C 29 55.208 55.699 -0.491 1
1 269 . 2 1 1 A 29 29 ALA HA H 29 4.148 3.980 0.168 1
1 270 . 2 1 1 A 29 29 ALA CB C 29 17.731 18.156 -0.425 1
1 274 . 2 1 1 A 29 29 ALA C C 29 180.709 179.480 1.229 1
1 275 . 2 1 1 A 30 30 GLN N N 30 116.397 117.721 -1.324 1
1 276 . 2 1 1 A 30 30 GLN H H 30 7.564 8.140 -0.576 1
1 277 . 2 1 1 A 30 30 GLN CA C 30 58.469 58.253 0.216 1
1 278 . 2 1 1 A 30 30 GLN HA H 30 3.997 4.060 -0.063 1
1 279 . 2 1 1 A 30 30 GLN CB C 30 28.395 28.586 -0.191 1
1 288 . 2 1 1 A 30 30 GLN C C 30 178.538 178.004 0.534 1
1 289 . 2 1 1 A 31 31 HIS N N 31 119.006 119.780 -0.774 1
1 290 . 2 1 1 A 31 31 HIS H H 31 7.685 7.940 -0.255 1
1 291 . 2 1 1 A 31 31 HIS CA C 31 59.033 58.656 0.377 1
1 292 . 2 1 1 A 31 31 HIS HA H 31 4.262 4.139 0.123 1
1 293 . 2 1 1 A 31 31 HIS CB C 31 28.627 30.013 -1.386 1
1 300 . 2 1 1 A 31 31 HIS C C 31 177.956 176.650 1.306 1
1 301 . 2 1 1 A 32 32 GLN N N 32 119.870 117.325 2.545 1
1 302 . 2 1 1 A 32 32 GLN H H 32 8.809 8.600 0.209 1
1 303 . 2 1 1 A 32 32 GLN CA C 32 59.611 59.124 0.487 1
1 304 . 2 1 1 A 32 32 GLN HA H 32 3.747 3.604 0.143 1
1 305 . 2 1 1 A 32 32 GLN CB C 32 28.255 28.149 0.106 1
1 314 . 2 1 1 A 32 32 GLN C C 32 177.728 178.008 -0.280 1
1 315 . 2 1 1 A 33 33 LYS N N 33 116.864 117.754 -0.890 1
1 316 . 2 1 1 A 33 33 LYS H H 33 7.108 7.750 -0.642 1
1 317 . 2 1 1 A 33 33 LYS CA C 33 58.613 58.908 -0.295 1
1 318 . 2 1 1 A 33 33 LYS HA H 33 4.149 4.053 0.096 1
1 319 . 2 1 1 A 33 33 LYS CB C 33 32.203 32.164 0.039 1
1 331 . 2 1 1 A 33 33 LYS C C 33 178.099 178.315 -0.216 1
1 332 . 2 1 1 A 34 34 THR N N 34 109.562 114.779 -5.217 1
1 333 . 2 1 1 A 34 34 THR H H 34 7.736 8.033 -0.297 1
1 334 . 2 1 1 A 34 34 THR CA C 34 63.792 65.613 -1.821 1
1 335 . 2 1 1 A 34 34 THR HA H 34 4.131 3.998 0.133 1
1 336 . 2 1 1 A 34 34 THR CB C 34 69.387 68.545 0.842 1
1 342 . 2 1 1 A 34 34 THR C C 34 175.335 176.433 -1.098 1
1 343 . 2 1 1 A 35 35 HIS N N 35 118.240 119.465 -1.225 1
1 344 . 2 1 1 A 35 35 HIS H H 35 7.156 8.090 -0.934 1
1 345 . 2 1 1 A 35 35 HIS CA C 35 55.103 59.266 -4.163 1
1 346 . 2 1 1 A 35 35 HIS HA H 35 4.972 4.136 0.836 1
1 347 . 2 1 1 A 35 35 HIS CB C 35 28.657 30.130 -1.473 1
1 354 . 2 1 1 A 35 35 HIS C C 35 175.393 177.712 -2.319 1
1 355 . 2 1 1 A 36 36 THR N N 36 113.040 114.778 -1.738 1
1 356 . 2 1 1 A 36 36 THR H H 36 7.839 7.890 -0.051 1
1 357 . 2 1 1 A 36 36 THR CA C 36 61.871 66.424 -4.553 1
1 358 . 2 1 1 A 36 36 THR HA H 36 4.369 3.894 0.475 1
1 359 . 2 1 1 A 36 36 THR CB C 36 69.836 68.406 1.430 1
1 365 . 2 1 1 A 36 36 THR C C 36 175.280 176.179 -0.899 1
1 366 . 2 1 1 A 37 37 GLY CA C 37 45.249 46.010 -0.761 1
1 367 . 2 1 1 A 37 37 GLY HA2 H 37 4.008 3.805 0.203 1
1 368 . 2 1 1 A 37 37 GLY HA3 H 37 4.008 3.811 0.197 1
1 369 . 2 1 1 A 37 37 GLY C C 37 174.005 174.043 -0.038 1
1 370 . 2 1 1 A 38 38 GLU N N 38 120.596 125.134 -4.538 1
1 371 . 2 1 1 A 38 38 GLU H H 38 8.130 8.560 -0.430 1
1 372 . 2 1 1 A 38 38 GLU CA C 38 56.422 57.176 -0.754 1
1 373 . 2 1 1 A 38 38 GLU HA H 38 4.265 4.394 -0.129 1
1 374 . 2 1 1 A 38 38 GLU CB C 38 30.578 30.017 0.561 1
1 380 . 2 1 1 A 38 38 GLU C C 38 176.250 176.426 -0.176 1
1 381 . 2 1 1 A 39 39 LYS N N 39 123.746 125.516 -1.770 1
1 382 . 2 1 1 A 39 39 LYS H H 39 8.424 8.562 -0.138 1
1 383 . 2 1 1 A 39 39 LYS CA C 39 54.157 53.623 0.534 1
1 384 . 2 1 1 A 39 39 LYS HA H 39 4.612 5.033 -0.421 1
1 385 . 2 1 1 A 39 39 LYS CB C 39 32.575 33.085 -0.510 1
1 395 . 2 1 1 A 39 39 LYS C C 39 174.466 174.315 0.151 1
1 396 . 2 1 1 A 40 40 PRO CA C 40 63.253 62.190 1.063 1
1 397 . 2 1 1 A 40 40 PRO HA H 40 4.480 4.646 -0.166 1
1 398 . 2 1 1 A 40 40 PRO CB C 40 32.250 29.338 2.912 1
1 406 . 2 1 1 A 42 42 GLY N N 42 110.630 108.720 1.910 1
1 407 . 2 1 1 A 42 42 GLY H H 42 8.218 7.789 0.429 1
1 408 . 2 1 1 A 42 42 GLY CA C 42 44.674 44.494 0.180 1
1 409 . 2 1 1 A 42 42 GLY HA2 H 42 4.116 4.059 0.057 1
1 410 . 2 1 1 A 42 42 GLY HA3 H 42 4.165 4.059 0.106 1
1 411 . 2 1 1 A 43 43 PRO CA C 43 63.242 62.599 0.643 1
1 412 . 2 1 1 A 43 43 PRO HA H 43 4.487 4.709 -0.222 1
1 413 . 2 1 1 A 43 43 PRO CB C 43 32.343 33.184 -0.841 1
1 420 . 2 1 1 A 44 44 SER N N 44 116.476 117.438 -0.962 1
1 421 . 2 1 1 A 44 44 SER H H 44 8.466 8.715 -0.249 1
1 422 . 2 1 1 A 44 44 SER CA C 44 58.347 56.112 2.235 1
1 423 . 2 1 1 A 44 44 SER HA H 44 4.479 5.120 -0.641 1
1 424 . 2 1 1 A 44 44 SER CB C 44 64.148 65.758 -1.610 1
1 426 . 2 1 1 A 45 45 SER CA C 45 58.438 62.175 -3.737 1
1 427 . 2 1 1 A 45 45 SER HA H 45 4.493 4.312 0.181 1
1 428 . 2 1 1 A 45 45 SER CB C 45 63.960 63.294 0.666 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.478 45.503 -0.025 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.042 4.000 0.042 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.042 4.004 0.038 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.517 174.691 -0.174 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.852 115.427 -2.575 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.150 7.783 0.367 1
1 7 . 3 1 1 A 8 8 THR CA C 8 62.463 63.566 -1.103 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.364 4.283 0.081 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.776 68.910 0.866 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.241 175.143 0.098 1
1 16 . 3 1 1 A 9 9 GLY N N 9 111.036 112.473 -1.437 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.423 8.507 -0.084 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.273 45.493 -0.220 1
1 19 . 3 1 1 A 9 9 GLY HA2 H 9 3.918 4.264 -0.346 1
1 20 . 3 1 1 A 9 9 GLY HA3 H 9 3.965 4.269 -0.304 1
1 21 . 3 1 1 A 9 9 GLY C C 9 174.013 173.176 0.837 1
1 22 . 3 1 1 A 10 10 GLU N N 10 120.348 120.840 -0.492 1
1 23 . 3 1 1 A 10 10 GLU H H 10 8.209 8.650 -0.441 1
1 24 . 3 1 1 A 10 10 GLU CA C 10 56.820 55.683 1.137 1
1 25 . 3 1 1 A 10 10 GLU HA H 10 4.193 4.541 -0.348 1
1 26 . 3 1 1 A 10 10 GLU CB C 10 30.457 29.262 1.195 1
1 32 . 3 1 1 A 10 10 GLU C C 10 176.284 175.825 0.459 1
1 33 . 3 1 1 A 11 11 LYS N N 11 121.889 119.638 2.251 1
1 34 . 3 1 1 A 11 11 LYS H H 11 8.297 7.438 0.859 1
1 35 . 3 1 1 A 11 11 LYS CA C 11 53.828 52.785 1.043 1
1 36 . 3 1 1 A 11 11 LYS HA H 11 4.504 4.815 -0.311 1
1 37 . 3 1 1 A 11 11 LYS CB C 11 32.938 34.113 -1.175 1
1 48 . 3 1 1 A 12 12 PRO CA C 12 63.404 64.304 -0.900 1
1 49 . 3 1 1 A 12 12 PRO HA H 12 4.258 4.332 -0.074 1
1 50 . 3 1 1 A 12 12 PRO CB C 12 32.224 31.549 0.675 1
1 59 . 3 1 1 A 12 12 PRO C C 12 176.340 175.843 0.497 1
1 60 . 3 1 1 A 13 13 TYR N N 13 118.367 118.325 0.042 1
1 61 . 3 1 1 A 13 13 TYR H H 13 7.933 7.559 0.374 1
1 62 . 3 1 1 A 13 13 TYR CA C 13 57.250 56.749 0.501 1
1 63 . 3 1 1 A 13 13 TYR HA H 13 4.664 5.208 -0.544 1
1 64 . 3 1 1 A 13 13 TYR CB C 13 38.486 39.985 -1.499 1
1 75 . 3 1 1 A 13 13 TYR C C 13 174.622 174.511 0.111 1
1 76 . 3 1 1 A 14 14 GLU N N 14 124.142 125.411 -1.269 1
1 77 . 3 1 1 A 14 14 GLU H H 14 8.524 8.940 -0.416 1
1 78 . 3 1 1 A 14 14 GLU CA C 14 55.138 55.051 0.087 1
1 79 . 3 1 1 A 14 14 GLU HA H 14 4.883 5.019 -0.136 1
1 80 . 3 1 1 A 14 14 GLU CB C 14 32.979 33.301 -0.322 1
1 86 . 3 1 1 A 14 14 GLU C C 14 175.112 175.164 -0.052 1
1 87 . 3 1 1 A 15 15 CYS N N 15 126.468 125.947 0.521 1
1 88 . 3 1 1 A 15 15 CYS H H 15 9.176 9.526 -0.350 1
1 89 . 3 1 1 A 15 15 CYS CA C 15 59.621 59.463 0.158 1
1 90 . 3 1 1 A 15 15 CYS HA H 15 4.549 4.695 -0.146 1
1 91 . 3 1 1 A 15 15 CYS CB C 15 29.673 28.976 0.697 1
1 94 . 3 1 1 A 15 15 CYS C C 15 177.028 174.210 2.818 1
1 95 . 3 1 1 A 16 16 LYS N N 16 130.332 125.075 5.257 1
1 96 . 3 1 1 A 16 16 LYS H H 16 9.220 8.926 0.294 1
1 97 . 3 1 1 A 16 16 LYS CA C 16 57.744 57.595 0.149 1
1 98 . 3 1 1 A 16 16 LYS HA H 16 4.284 4.467 -0.183 1
1 99 . 3 1 1 A 16 16 LYS CB C 16 32.162 34.002 -1.840 1
1 111 . 3 1 1 A 16 16 LYS C C 16 177.052 178.707 -1.655 1
1 112 . 3 1 1 A 17 17 VAL N N 17 121.440 119.526 1.914 1
1 113 . 3 1 1 A 17 17 VAL H H 17 8.817 7.700 1.117 1
1 114 . 3 1 1 A 17 17 VAL CA C 17 65.126 66.621 -1.495 1
1 115 . 3 1 1 A 17 17 VAL HA H 17 3.787 3.472 0.315 1
1 116 . 3 1 1 A 17 17 VAL CB C 17 32.790 31.235 1.555 1
1 126 . 3 1 1 A 17 17 VAL C C 17 177.095 177.612 -0.517 1
1 127 . 3 1 1 A 18 18 CYS N N 18 116.697 116.675 0.022 1
1 128 . 3 1 1 A 18 18 CYS H H 18 8.024 7.767 0.257 1
1 129 . 3 1 1 A 18 18 CYS CA C 18 58.412 59.640 -1.228 1
1 130 . 3 1 1 A 18 18 CYS HA H 18 5.148 4.460 0.688 1
1 131 . 3 1 1 A 18 18 CYS CB C 18 32.282 28.688 3.594 1
1 134 . 3 1 1 A 18 18 CYS C C 18 175.649 174.852 0.797 1
1 135 . 3 1 1 A 19 19 SER N N 19 115.473 113.052 2.421 1
1 136 . 3 1 1 A 19 19 SER H H 19 8.025 8.136 -0.111 1
1 137 . 3 1 1 A 19 19 SER CA C 19 61.107 59.417 1.690 1
1 138 . 3 1 1 A 19 19 SER HA H 19 4.344 4.581 -0.237 1
1 139 . 3 1 1 A 19 19 SER CB C 19 62.187 60.934 1.253 1
1 142 . 3 1 1 A 19 19 SER C C 19 173.220 172.917 0.303 1
1 143 . 3 1 1 A 20 20 LYS N N 20 123.593 121.247 2.346 1
1 144 . 3 1 1 A 20 20 LYS H H 20 8.026 7.491 0.535 1
1 145 . 3 1 1 A 20 20 LYS CA C 20 58.115 56.061 2.054 1
1 146 . 3 1 1 A 20 20 LYS HA H 20 4.007 4.489 -0.482 1
1 147 . 3 1 1 A 20 20 LYS CB C 20 33.813 33.511 0.302 1
1 159 . 3 1 1 A 20 20 LYS C C 20 173.846 175.901 -2.055 1
1 160 . 3 1 1 A 21 21 ALA N N 21 124.213 128.992 -4.779 1
1 161 . 3 1 1 A 21 21 ALA H H 21 7.837 8.545 -0.708 1
1 162 . 3 1 1 A 21 21 ALA CA C 21 50.509 51.151 -0.642 1
1 163 . 3 1 1 A 21 21 ALA HA H 21 5.125 5.232 -0.107 1
1 164 . 3 1 1 A 21 21 ALA CB C 21 22.361 20.806 1.555 1
1 168 . 3 1 1 A 21 21 ALA C C 21 176.165 176.651 -0.486 1
1 169 . 3 1 1 A 22 22 PHE N N 22 116.773 117.536 -0.763 1
1 170 . 3 1 1 A 22 22 PHE H H 22 8.660 9.334 -0.674 1
1 171 . 3 1 1 A 22 22 PHE CA C 22 57.228 56.886 0.342 1
1 172 . 3 1 1 A 22 22 PHE HA H 22 4.872 5.065 -0.193 1
1 173 . 3 1 1 A 22 22 PHE CB C 22 43.970 43.825 0.145 1
1 186 . 3 1 1 A 22 22 PHE C C 22 175.596 175.494 0.102 1
1 187 . 3 1 1 A 23 23 THR N N 23 112.435 113.361 -0.926 1
1 188 . 3 1 1 A 23 23 THR H H 23 9.419 8.715 0.704 1
1 189 . 3 1 1 A 23 23 THR CA C 23 63.752 62.354 1.398 1
1 190 . 3 1 1 A 23 23 THR HA H 23 4.538 4.665 -0.127 1
1 191 . 3 1 1 A 23 23 THR CB C 23 69.791 69.675 0.116 1
1 197 . 3 1 1 A 23 23 THR C C 23 174.879 175.099 -0.220 1
1 198 . 3 1 1 A 24 24 GLN N N 24 116.006 120.160 -4.154 1
1 199 . 3 1 1 A 24 24 GLN H H 24 7.257 7.468 -0.211 1
1 200 . 3 1 1 A 24 24 GLN CA C 24 53.833 54.095 -0.262 1
1 201 . 3 1 1 A 24 24 GLN HA H 24 4.721 4.447 0.274 1
1 202 . 3 1 1 A 24 24 GLN CB C 24 31.008 31.690 -0.682 1
1 211 . 3 1 1 A 24 24 GLN C C 24 176.152 174.919 1.233 1
1 212 . 3 1 1 A 25 25 LYS N N 25 127.585 123.277 4.308 1
1 213 . 3 1 1 A 25 25 LYS H H 25 8.608 8.280 0.328 1
1 214 . 3 1 1 A 25 25 LYS CA C 25 59.831 59.175 0.656 1
1 215 . 3 1 1 A 25 25 LYS HA H 25 2.994 3.239 -0.245 1
1 216 . 3 1 1 A 25 25 LYS CB C 25 31.771 32.271 -0.500 1
1 228 . 3 1 1 A 25 25 LYS C C 25 178.888 178.087 0.801 1
1 229 . 3 1 1 A 26 26 ALA CA C 26 54.777 55.301 -0.524 1
1 230 . 3 1 1 A 26 26 ALA HA H 26 4.073 4.061 0.012 1
1 231 . 3 1 1 A 26 26 ALA CB C 26 18.221 18.408 -0.187 1
1 235 . 3 1 1 A 26 26 ALA C C 26 180.193 179.617 0.576 1
1 236 . 3 1 1 A 27 27 HIS N N 27 115.655 116.019 -0.364 1
1 237 . 3 1 1 A 27 27 HIS H H 27 6.808 7.976 -1.168 1
1 238 . 3 1 1 A 27 27 HIS CA C 27 56.597 59.508 -2.911 1
1 239 . 3 1 1 A 27 27 HIS HA H 27 4.441 4.292 0.149 1
1 240 . 3 1 1 A 27 27 HIS CB C 27 31.644 29.776 1.868 1
1 247 . 3 1 1 A 27 27 HIS C C 27 178.584 177.079 1.505 1
1 248 . 3 1 1 A 28 28 LEU N N 28 121.599 120.541 1.058 1
1 249 . 3 1 1 A 28 28 LEU H H 28 7.008 7.577 -0.569 1
1 250 . 3 1 1 A 28 28 LEU CA C 28 57.764 57.626 0.138 1
1 251 . 3 1 1 A 28 28 LEU HA H 28 3.280 2.852 0.428 1
1 252 . 3 1 1 A 28 28 LEU CB C 28 40.215 41.550 -1.335 1
1 265 . 3 1 1 A 28 28 LEU C C 28 177.435 177.857 -0.422 1
1 266 . 3 1 1 A 29 29 ALA N N 29 121.543 120.076 1.467 1
1 267 . 3 1 1 A 29 29 ALA H H 29 8.100 8.681 -0.581 1
1 268 . 3 1 1 A 29 29 ALA CA C 29 55.208 55.553 -0.345 1
1 269 . 3 1 1 A 29 29 ALA HA H 29 4.148 3.971 0.177 1
1 270 . 3 1 1 A 29 29 ALA CB C 29 17.731 18.443 -0.712 1
1 274 . 3 1 1 A 29 29 ALA C C 29 180.709 179.206 1.503 1
1 275 . 3 1 1 A 30 30 GLN N N 30 116.397 117.768 -1.371 1
1 276 . 3 1 1 A 30 30 GLN H H 30 7.564 7.920 -0.356 1
1 277 . 3 1 1 A 30 30 GLN CA C 30 58.469 58.766 -0.297 1
1 278 . 3 1 1 A 30 30 GLN HA H 30 3.997 4.016 -0.019 1
1 279 . 3 1 1 A 30 30 GLN CB C 30 28.395 28.195 0.200 1
1 288 . 3 1 1 A 30 30 GLN C C 30 178.538 178.267 0.271 1
1 289 . 3 1 1 A 31 31 HIS N N 31 119.006 119.645 -0.639 1
1 290 . 3 1 1 A 31 31 HIS H H 31 7.685 8.033 -0.348 1
1 291 . 3 1 1 A 31 31 HIS CA C 31 59.033 59.497 -0.464 1
1 292 . 3 1 1 A 31 31 HIS HA H 31 4.262 4.154 0.108 1
1 293 . 3 1 1 A 31 31 HIS CB C 31 28.627 29.723 -1.096 1
1 300 . 3 1 1 A 31 31 HIS C C 31 177.956 176.590 1.366 1
1 301 . 3 1 1 A 32 32 GLN N N 32 119.870 117.118 2.752 1
1 302 . 3 1 1 A 32 32 GLN H H 32 8.809 8.554 0.255 1
1 303 . 3 1 1 A 32 32 GLN CA C 32 59.611 59.091 0.520 1
1 304 . 3 1 1 A 32 32 GLN HA H 32 3.747 3.667 0.080 1
1 305 . 3 1 1 A 32 32 GLN CB C 32 28.255 28.276 -0.021 1
1 314 . 3 1 1 A 32 32 GLN C C 32 177.728 178.550 -0.822 1
1 315 . 3 1 1 A 33 33 LYS N N 33 116.864 119.461 -2.597 1
1 316 . 3 1 1 A 33 33 LYS H H 33 7.108 7.508 -0.400 1
1 317 . 3 1 1 A 33 33 LYS CA C 33 58.613 59.173 -0.560 1
1 318 . 3 1 1 A 33 33 LYS HA H 33 4.149 3.901 0.248 1
1 319 . 3 1 1 A 33 33 LYS CB C 33 32.203 32.227 -0.024 1
1 331 . 3 1 1 A 33 33 LYS C C 33 178.099 178.930 -0.831 1
1 332 . 3 1 1 A 34 34 THR N N 34 109.562 115.031 -5.469 1
1 333 . 3 1 1 A 34 34 THR H H 34 7.736 8.383 -0.647 1
1 334 . 3 1 1 A 34 34 THR CA C 34 63.792 65.157 -1.365 1
1 335 . 3 1 1 A 34 34 THR HA H 34 4.131 3.826 0.305 1
1 336 . 3 1 1 A 34 34 THR CB C 34 69.387 68.969 0.418 1
1 342 . 3 1 1 A 34 34 THR C C 34 175.335 175.104 0.231 1
1 343 . 3 1 1 A 35 35 HIS N N 35 118.240 118.205 0.035 1
1 344 . 3 1 1 A 35 35 HIS H H 35 7.156 7.972 -0.816 1
1 345 . 3 1 1 A 35 35 HIS CA C 35 55.103 55.824 -0.721 1
1 346 . 3 1 1 A 35 35 HIS HA H 35 4.972 4.572 0.400 1
1 347 . 3 1 1 A 35 35 HIS CB C 35 28.657 28.882 -0.225 1
1 354 . 3 1 1 A 35 35 HIS C C 35 175.393 174.462 0.931 1
1 355 . 3 1 1 A 36 36 THR N N 36 113.040 120.844 -7.804 1
1 356 . 3 1 1 A 36 36 THR H H 36 7.839 8.532 -0.693 1
1 357 . 3 1 1 A 36 36 THR CA C 36 61.871 61.614 0.257 1
1 358 . 3 1 1 A 36 36 THR HA H 36 4.369 4.421 -0.052 1
1 359 . 3 1 1 A 36 36 THR CB C 36 69.836 67.311 2.525 1
1 365 . 3 1 1 A 36 36 THR C C 36 175.280 174.402 0.878 1
1 366 . 3 1 1 A 37 37 GLY CA C 37 45.249 44.585 0.664 1
1 367 . 3 1 1 A 37 37 GLY HA2 H 37 4.008 4.040 -0.032 1
1 368 . 3 1 1 A 37 37 GLY HA3 H 37 4.008 4.040 -0.032 1
1 369 . 3 1 1 A 37 37 GLY C C 37 174.005 172.332 1.673 1
1 370 . 3 1 1 A 38 38 GLU N N 38 120.596 120.895 -0.299 1
1 371 . 3 1 1 A 38 38 GLU H H 38 8.130 8.501 -0.371 1
1 372 . 3 1 1 A 38 38 GLU CA C 38 56.422 54.985 1.437 1
1 373 . 3 1 1 A 38 38 GLU HA H 38 4.265 5.053 -0.788 1
1 374 . 3 1 1 A 38 38 GLU CB C 38 30.578 32.346 -1.768 1
1 380 . 3 1 1 A 38 38 GLU C C 38 176.250 175.220 1.030 1
1 381 . 3 1 1 A 39 39 LYS N N 39 123.746 125.754 -2.008 1
1 382 . 3 1 1 A 39 39 LYS H H 39 8.424 8.690 -0.266 1
1 383 . 3 1 1 A 39 39 LYS CA C 39 54.157 53.588 0.569 1
1 384 . 3 1 1 A 39 39 LYS HA H 39 4.612 5.030 -0.418 1
1 385 . 3 1 1 A 39 39 LYS CB C 39 32.575 33.052 -0.477 1
1 395 . 3 1 1 A 39 39 LYS C C 39 174.466 175.215 -0.749 1
1 396 . 3 1 1 A 40 40 PRO CA C 40 63.253 64.602 -1.349 1
1 397 . 3 1 1 A 40 40 PRO HA H 40 4.480 4.522 -0.042 1
1 398 . 3 1 1 A 40 40 PRO CB C 40 32.250 32.224 0.026 1
1 406 . 3 1 1 A 42 42 GLY N N 42 110.630 111.597 -0.967 1
1 407 . 3 1 1 A 42 42 GLY H H 42 8.218 8.749 -0.531 1
1 408 . 3 1 1 A 42 42 GLY CA C 42 44.674 47.338 -2.664 1
1 409 . 3 1 1 A 42 42 GLY HA2 H 42 4.116 3.939 0.177 1
1 410 . 3 1 1 A 42 42 GLY HA3 H 42 4.165 3.939 0.226 1
1 411 . 3 1 1 A 43 43 PRO CA C 43 63.242 62.533 0.709 1
1 412 . 3 1 1 A 43 43 PRO HA H 43 4.487 4.594 -0.107 1
1 413 . 3 1 1 A 43 43 PRO CB C 43 32.343 32.187 0.156 1
1 420 . 3 1 1 A 44 44 SER N N 44 116.476 115.363 1.113 1
1 421 . 3 1 1 A 44 44 SER H H 44 8.466 8.393 0.073 1
1 422 . 3 1 1 A 44 44 SER CA C 44 58.347 57.102 1.245 1
1 423 . 3 1 1 A 44 44 SER HA H 44 4.479 4.691 -0.212 1
1 424 . 3 1 1 A 44 44 SER CB C 44 64.148 64.895 -0.747 1
1 426 . 3 1 1 A 45 45 SER CA C 45 58.438 57.695 0.743 1
1 427 . 3 1 1 A 45 45 SER HA H 45 4.493 4.644 -0.151 1
1 428 . 3 1 1 A 45 45 SER CB C 45 63.960 63.300 0.660 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.478 44.370 1.108 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.042 4.031 0.011 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.042 4.031 0.011 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.517 172.455 2.062 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.852 113.150 -0.298 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.150 8.459 -0.309 1
1 7 . 4 1 1 A 8 8 THR CA C 8 62.463 59.243 3.220 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.364 5.217 -0.853 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.776 71.947 -2.171 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.241 172.970 2.271 1
1 16 . 4 1 1 A 9 9 GLY N N 9 111.036 112.012 -0.976 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.423 8.670 -0.247 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.273 45.145 0.128 1
1 19 . 4 1 1 A 9 9 GLY HA2 H 9 3.918 4.194 -0.276 1
1 20 . 4 1 1 A 9 9 GLY HA3 H 9 3.965 4.196 -0.231 1
1 21 . 4 1 1 A 9 9 GLY C C 9 174.013 173.501 0.512 1
1 22 . 4 1 1 A 10 10 GLU N N 10 120.348 121.932 -1.584 1
1 23 . 4 1 1 A 10 10 GLU H H 10 8.209 8.671 -0.462 1
1 24 . 4 1 1 A 10 10 GLU CA C 10 56.820 55.364 1.456 1
1 25 . 4 1 1 A 10 10 GLU HA H 10 4.193 4.610 -0.417 1
1 26 . 4 1 1 A 10 10 GLU CB C 10 30.457 29.185 1.272 1
1 32 . 4 1 1 A 10 10 GLU C C 10 176.284 176.111 0.173 1
1 33 . 4 1 1 A 11 11 LYS N N 11 121.889 122.828 -0.939 1
1 34 . 4 1 1 A 11 11 LYS H H 11 8.297 7.586 0.711 1
1 35 . 4 1 1 A 11 11 LYS CA C 11 53.828 54.093 -0.265 1
1 36 . 4 1 1 A 11 11 LYS HA H 11 4.504 4.542 -0.038 1
1 37 . 4 1 1 A 11 11 LYS CB C 11 32.938 34.090 -1.152 1
1 48 . 4 1 1 A 12 12 PRO CA C 12 63.404 63.946 -0.542 1
1 49 . 4 1 1 A 12 12 PRO HA H 12 4.258 4.283 -0.025 1
1 50 . 4 1 1 A 12 12 PRO CB C 12 32.224 31.257 0.967 1
1 59 . 4 1 1 A 12 12 PRO C C 12 176.340 175.704 0.636 1
1 60 . 4 1 1 A 13 13 TYR N N 13 118.367 118.398 -0.031 1
1 61 . 4 1 1 A 13 13 TYR H H 13 7.933 7.502 0.431 1
1 62 . 4 1 1 A 13 13 TYR CA C 13 57.250 56.544 0.706 1
1 63 . 4 1 1 A 13 13 TYR HA H 13 4.664 5.306 -0.642 1
1 64 . 4 1 1 A 13 13 TYR CB C 13 38.486 40.933 -2.447 1
1 75 . 4 1 1 A 13 13 TYR C C 13 174.622 174.222 0.400 1
1 76 . 4 1 1 A 14 14 GLU N N 14 124.142 125.117 -0.975 1
1 77 . 4 1 1 A 14 14 GLU H H 14 8.524 9.079 -0.555 1
1 78 . 4 1 1 A 14 14 GLU CA C 14 55.138 54.928 0.210 1
1 79 . 4 1 1 A 14 14 GLU HA H 14 4.883 5.246 -0.363 1
1 80 . 4 1 1 A 14 14 GLU CB C 14 32.979 33.719 -0.740 1
1 86 . 4 1 1 A 14 14 GLU C C 14 175.112 175.255 -0.143 1
1 87 . 4 1 1 A 15 15 CYS N N 15 126.468 125.767 0.701 1
1 88 . 4 1 1 A 15 15 CYS H H 15 9.176 8.982 0.194 1
1 89 . 4 1 1 A 15 15 CYS CA C 15 59.621 59.267 0.354 1
1 90 . 4 1 1 A 15 15 CYS HA H 15 4.549 4.734 -0.185 1
1 91 . 4 1 1 A 15 15 CYS CB C 15 29.673 29.175 0.498 1
1 94 . 4 1 1 A 15 15 CYS C C 15 177.028 174.501 2.527 1
1 95 . 4 1 1 A 16 16 LYS N N 16 130.332 125.084 5.248 1
1 96 . 4 1 1 A 16 16 LYS H H 16 9.220 8.871 0.349 1
1 97 . 4 1 1 A 16 16 LYS CA C 16 57.744 57.363 0.381 1
1 98 . 4 1 1 A 16 16 LYS HA H 16 4.284 4.454 -0.170 1
1 99 . 4 1 1 A 16 16 LYS CB C 16 32.162 34.148 -1.986 1
1 111 . 4 1 1 A 16 16 LYS C C 16 177.052 179.053 -2.001 1
1 112 . 4 1 1 A 17 17 VAL N N 17 121.440 119.553 1.887 1
1 113 . 4 1 1 A 17 17 VAL H H 17 8.817 7.361 1.456 1
1 114 . 4 1 1 A 17 17 VAL CA C 17 65.126 66.331 -1.205 1
1 115 . 4 1 1 A 17 17 VAL HA H 17 3.787 3.467 0.320 1
1 116 . 4 1 1 A 17 17 VAL CB C 17 32.790 31.437 1.353 1
1 126 . 4 1 1 A 17 17 VAL C C 17 177.095 177.441 -0.346 1
1 127 . 4 1 1 A 18 18 CYS N N 18 116.697 114.967 1.730 1
1 128 . 4 1 1 A 18 18 CYS H H 18 8.024 7.981 0.043 1
1 129 . 4 1 1 A 18 18 CYS CA C 18 58.412 58.104 0.308 1
1 130 . 4 1 1 A 18 18 CYS HA H 18 5.148 4.602 0.546 1
1 131 . 4 1 1 A 18 18 CYS CB C 18 32.282 27.295 4.987 1
1 134 . 4 1 1 A 18 18 CYS C C 18 175.649 175.237 0.412 1
1 135 . 4 1 1 A 19 19 SER N N 19 115.473 115.584 -0.111 1
1 136 . 4 1 1 A 19 19 SER H H 19 8.025 8.095 -0.070 1
1 137 . 4 1 1 A 19 19 SER CA C 19 61.107 59.147 1.960 1
1 138 . 4 1 1 A 19 19 SER HA H 19 4.344 4.488 -0.144 1
1 139 . 4 1 1 A 19 19 SER CB C 19 62.187 61.554 0.633 1
1 142 . 4 1 1 A 19 19 SER C C 19 173.220 174.139 -0.919 1
1 143 . 4 1 1 A 20 20 LYS N N 20 123.593 121.598 1.995 1
1 144 . 4 1 1 A 20 20 LYS H H 20 8.026 7.778 0.248 1
1 145 . 4 1 1 A 20 20 LYS CA C 20 58.115 55.551 2.564 1
1 146 . 4 1 1 A 20 20 LYS HA H 20 4.007 4.391 -0.384 1
1 147 . 4 1 1 A 20 20 LYS CB C 20 33.813 33.423 0.390 1
1 159 . 4 1 1 A 20 20 LYS C C 20 173.846 175.375 -1.529 1
1 160 . 4 1 1 A 21 21 ALA N N 21 124.213 129.611 -5.398 1
1 161 . 4 1 1 A 21 21 ALA H H 21 7.837 8.552 -0.715 1
1 162 . 4 1 1 A 21 21 ALA CA C 21 50.509 51.200 -0.691 1
1 163 . 4 1 1 A 21 21 ALA HA H 21 5.125 4.907 0.218 1
1 164 . 4 1 1 A 21 21 ALA CB C 21 22.361 20.520 1.841 1
1 168 . 4 1 1 A 21 21 ALA C C 21 176.165 176.538 -0.373 1
1 169 . 4 1 1 A 22 22 PHE N N 22 116.773 117.270 -0.497 1
1 170 . 4 1 1 A 22 22 PHE H H 22 8.660 8.683 -0.023 1
1 171 . 4 1 1 A 22 22 PHE CA C 22 57.228 56.809 0.419 1
1 172 . 4 1 1 A 22 22 PHE HA H 22 4.872 4.907 -0.035 1
1 173 . 4 1 1 A 22 22 PHE CB C 22 43.970 43.663 0.307 1
1 186 . 4 1 1 A 22 22 PHE C C 22 175.596 175.684 -0.088 1
1 187 . 4 1 1 A 23 23 THR N N 23 112.435 116.808 -4.373 1
1 188 . 4 1 1 A 23 23 THR H H 23 9.419 8.739 0.680 1
1 189 . 4 1 1 A 23 23 THR CA C 23 63.752 64.796 -1.044 1
1 190 . 4 1 1 A 23 23 THR HA H 23 4.538 4.392 0.146 1
1 191 . 4 1 1 A 23 23 THR CB C 23 69.791 69.967 -0.176 1
1 197 . 4 1 1 A 23 23 THR C C 23 174.879 174.200 0.679 1
1 198 . 4 1 1 A 24 24 GLN N N 24 116.006 118.058 -2.052 1
1 199 . 4 1 1 A 24 24 GLN H H 24 7.257 8.108 -0.851 1
1 200 . 4 1 1 A 24 24 GLN CA C 24 53.833 54.278 -0.445 1
1 201 . 4 1 1 A 24 24 GLN HA H 24 4.721 4.754 -0.033 1
1 202 . 4 1 1 A 24 24 GLN CB C 24 31.008 31.331 -0.323 1
1 211 . 4 1 1 A 24 24 GLN C C 24 176.152 175.361 0.791 1
1 212 . 4 1 1 A 25 25 LYS N N 25 127.585 124.690 2.895 1
1 213 . 4 1 1 A 25 25 LYS H H 25 8.608 8.631 -0.023 1
1 214 . 4 1 1 A 25 25 LYS CA C 25 59.831 59.556 0.275 1
1 215 . 4 1 1 A 25 25 LYS HA H 25 2.994 2.952 0.042 1
1 216 . 4 1 1 A 25 25 LYS CB C 25 31.771 31.631 0.140 1
1 228 . 4 1 1 A 25 25 LYS C C 25 178.888 178.039 0.849 1
1 229 . 4 1 1 A 26 26 ALA CA C 26 54.777 55.038 -0.261 1
1 230 . 4 1 1 A 26 26 ALA HA H 26 4.073 3.942 0.131 1
1 231 . 4 1 1 A 26 26 ALA CB C 26 18.221 18.438 -0.217 1
1 235 . 4 1 1 A 26 26 ALA C C 26 180.193 179.877 0.316 1
1 236 . 4 1 1 A 27 27 HIS N N 27 115.655 115.971 -0.316 1
1 237 . 4 1 1 A 27 27 HIS H H 27 6.808 7.980 -1.172 1
1 238 . 4 1 1 A 27 27 HIS CA C 27 56.597 59.229 -2.632 1
1 239 . 4 1 1 A 27 27 HIS HA H 27 4.441 4.187 0.254 1
1 240 . 4 1 1 A 27 27 HIS CB C 27 31.644 30.162 1.482 1
1 247 . 4 1 1 A 27 27 HIS C C 27 178.584 176.977 1.607 1
1 248 . 4 1 1 A 28 28 LEU N N 28 121.599 120.237 1.362 1
1 249 . 4 1 1 A 28 28 LEU H H 28 7.008 7.379 -0.371 1
1 250 . 4 1 1 A 28 28 LEU CA C 28 57.764 57.654 0.110 1
1 251 . 4 1 1 A 28 28 LEU HA H 28 3.280 2.944 0.336 1
1 252 . 4 1 1 A 28 28 LEU CB C 28 40.215 41.608 -1.393 1
1 265 . 4 1 1 A 28 28 LEU C C 28 177.435 177.876 -0.441 1
1 266 . 4 1 1 A 29 29 ALA N N 29 121.543 120.607 0.936 1
1 267 . 4 1 1 A 29 29 ALA H H 29 8.100 8.581 -0.481 1
1 268 . 4 1 1 A 29 29 ALA CA C 29 55.208 55.574 -0.366 1
1 269 . 4 1 1 A 29 29 ALA HA H 29 4.148 3.916 0.232 1
1 270 . 4 1 1 A 29 29 ALA CB C 29 17.731 18.418 -0.687 1
1 274 . 4 1 1 A 29 29 ALA C C 29 180.709 179.636 1.073 1
1 275 . 4 1 1 A 30 30 GLN N N 30 116.397 118.100 -1.703 1
1 276 . 4 1 1 A 30 30 GLN H H 30 7.564 8.006 -0.442 1
1 277 . 4 1 1 A 30 30 GLN CA C 30 58.469 58.796 -0.327 1
1 278 . 4 1 1 A 30 30 GLN HA H 30 3.997 3.996 0.001 1
1 279 . 4 1 1 A 30 30 GLN CB C 30 28.395 28.379 0.016 1
1 288 . 4 1 1 A 30 30 GLN C C 30 178.538 178.139 0.399 1
1 289 . 4 1 1 A 31 31 HIS N N 31 119.006 119.428 -0.422 1
1 290 . 4 1 1 A 31 31 HIS H H 31 7.685 8.396 -0.711 1
1 291 . 4 1 1 A 31 31 HIS CA C 31 59.033 59.676 -0.643 1
1 292 . 4 1 1 A 31 31 HIS HA H 31 4.262 4.242 0.020 1
1 293 . 4 1 1 A 31 31 HIS CB C 31 28.627 29.621 -0.994 1
1 300 . 4 1 1 A 31 31 HIS C C 31 177.956 176.598 1.358 1
1 301 . 4 1 1 A 32 32 GLN N N 32 119.870 117.122 2.748 1
1 302 . 4 1 1 A 32 32 GLN H H 32 8.809 8.447 0.362 1
1 303 . 4 1 1 A 32 32 GLN CA C 32 59.611 59.025 0.586 1
1 304 . 4 1 1 A 32 32 GLN HA H 32 3.747 3.605 0.142 1
1 305 . 4 1 1 A 32 32 GLN CB C 32 28.255 28.284 -0.029 1
1 314 . 4 1 1 A 32 32 GLN C C 32 177.728 178.381 -0.653 1
1 315 . 4 1 1 A 33 33 LYS N N 33 116.864 119.176 -2.312 1
1 316 . 4 1 1 A 33 33 LYS H H 33 7.108 7.928 -0.820 1
1 317 . 4 1 1 A 33 33 LYS CA C 33 58.613 59.378 -0.765 1
1 318 . 4 1 1 A 33 33 LYS HA H 33 4.149 3.888 0.261 1
1 319 . 4 1 1 A 33 33 LYS CB C 33 32.203 32.370 -0.167 1
1 331 . 4 1 1 A 33 33 LYS C C 33 178.099 178.321 -0.222 1
1 332 . 4 1 1 A 34 34 THR N N 34 109.562 112.454 -2.892 1
1 333 . 4 1 1 A 34 34 THR H H 34 7.736 8.118 -0.382 1
1 334 . 4 1 1 A 34 34 THR CA C 34 63.792 65.370 -1.578 1
1 335 . 4 1 1 A 34 34 THR HA H 34 4.131 3.955 0.176 1
1 336 . 4 1 1 A 34 34 THR CB C 34 69.387 67.861 1.526 1
1 342 . 4 1 1 A 34 34 THR C C 34 175.335 175.387 -0.052 1
1 343 . 4 1 1 A 35 35 HIS N N 35 118.240 120.069 -1.829 1
1 344 . 4 1 1 A 35 35 HIS H H 35 7.156 7.628 -0.472 1
1 345 . 4 1 1 A 35 35 HIS CA C 35 55.103 56.691 -1.588 1
1 346 . 4 1 1 A 35 35 HIS HA H 35 4.972 4.512 0.460 1
1 347 . 4 1 1 A 35 35 HIS CB C 35 28.657 30.380 -1.723 1
1 354 . 4 1 1 A 35 35 HIS C C 35 175.393 174.770 0.623 1
1 355 . 4 1 1 A 36 36 THR N N 36 113.040 114.033 -0.993 1
1 356 . 4 1 1 A 36 36 THR H H 36 7.839 8.608 -0.769 1
1 357 . 4 1 1 A 36 36 THR CA C 36 61.871 59.692 2.179 1
1 358 . 4 1 1 A 36 36 THR HA H 36 4.369 4.798 -0.429 1
1 359 . 4 1 1 A 36 36 THR CB C 36 69.836 71.776 -1.940 1
1 365 . 4 1 1 A 36 36 THR C C 36 175.280 173.171 2.109 1
1 366 . 4 1 1 A 37 37 GLY CA C 37 45.249 45.817 -0.568 1
1 367 . 4 1 1 A 37 37 GLY HA2 H 37 4.008 3.988 0.020 1
1 368 . 4 1 1 A 37 37 GLY HA3 H 37 4.008 3.989 0.019 1
1 369 . 4 1 1 A 37 37 GLY C C 37 174.005 173.831 0.174 1
1 370 . 4 1 1 A 38 38 GLU N N 38 120.596 124.873 -4.277 1
1 371 . 4 1 1 A 38 38 GLU H H 38 8.130 8.801 -0.671 1
1 372 . 4 1 1 A 38 38 GLU CA C 38 56.422 56.290 0.132 1
1 373 . 4 1 1 A 38 38 GLU HA H 38 4.265 4.528 -0.263 1
1 374 . 4 1 1 A 38 38 GLU CB C 38 30.578 30.774 -0.196 1
1 380 . 4 1 1 A 38 38 GLU C C 38 176.250 175.866 0.384 1
1 381 . 4 1 1 A 39 39 LYS N N 39 123.746 125.633 -1.887 1
1 382 . 4 1 1 A 39 39 LYS H H 39 8.424 8.282 0.142 1
1 383 . 4 1 1 A 39 39 LYS CA C 39 54.157 53.078 1.079 1
1 384 . 4 1 1 A 39 39 LYS HA H 39 4.612 4.778 -0.166 1
1 385 . 4 1 1 A 39 39 LYS CB C 39 32.575 33.606 -1.031 1
1 395 . 4 1 1 A 39 39 LYS C C 39 174.466 176.177 -1.711 1
1 396 . 4 1 1 A 40 40 PRO CA C 40 63.253 63.819 -0.566 1
1 397 . 4 1 1 A 40 40 PRO HA H 40 4.480 4.523 -0.043 1
1 398 . 4 1 1 A 40 40 PRO CB C 40 32.250 31.659 0.591 1
1 406 . 4 1 1 A 42 42 GLY N N 42 110.630 109.827 0.803 1
1 407 . 4 1 1 A 42 42 GLY H H 42 8.218 8.373 -0.155 1
1 408 . 4 1 1 A 42 42 GLY CA C 42 44.674 45.156 -0.482 1
1 409 . 4 1 1 A 42 42 GLY HA2 H 42 4.116 4.181 -0.065 1
1 410 . 4 1 1 A 42 42 GLY HA3 H 42 4.165 4.181 -0.016 1
1 411 . 4 1 1 A 43 43 PRO CA C 43 63.242 62.625 0.617 1
1 412 . 4 1 1 A 43 43 PRO HA H 43 4.487 4.741 -0.254 1
1 413 . 4 1 1 A 43 43 PRO CB C 43 32.343 30.926 1.417 1
1 420 . 4 1 1 A 44 44 SER N N 44 116.476 120.906 -4.430 1
1 421 . 4 1 1 A 44 44 SER H H 44 8.466 8.781 -0.315 1
1 422 . 4 1 1 A 44 44 SER CA C 44 58.347 57.818 0.529 1
1 423 . 4 1 1 A 44 44 SER HA H 44 4.479 4.980 -0.501 1
1 424 . 4 1 1 A 44 44 SER CB C 44 64.148 64.876 -0.728 1
1 426 . 4 1 1 A 45 45 SER CA C 45 58.438 57.326 1.112 1
1 427 . 4 1 1 A 45 45 SER HA H 45 4.493 5.145 -0.652 1
1 428 . 4 1 1 A 45 45 SER CB C 45 63.960 67.754 -3.794 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.478 44.285 1.193 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.042 4.083 -0.041 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.042 4.083 -0.041 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.517 174.534 -0.017 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.852 116.899 -4.047 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.150 8.626 -0.476 1
1 7 . 5 1 1 A 8 8 THR CA C 8 62.463 62.873 -0.410 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.364 4.106 0.258 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.776 66.685 3.091 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.241 174.369 0.872 1
1 16 . 5 1 1 A 9 9 GLY N N 9 111.036 110.678 0.358 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.423 8.517 -0.094 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.273 44.665 0.608 1
1 19 . 5 1 1 A 9 9 GLY HA2 H 9 3.918 4.043 -0.125 1
1 20 . 5 1 1 A 9 9 GLY HA3 H 9 3.965 4.046 -0.081 1
1 21 . 5 1 1 A 9 9 GLY C C 9 174.013 173.603 0.410 1
1 22 . 5 1 1 A 10 10 GLU N N 10 120.348 119.012 1.336 1
1 23 . 5 1 1 A 10 10 GLU H H 10 8.209 8.631 -0.422 1
1 24 . 5 1 1 A 10 10 GLU CA C 10 56.820 55.499 1.321 1
1 25 . 5 1 1 A 10 10 GLU HA H 10 4.193 4.816 -0.623 1
1 26 . 5 1 1 A 10 10 GLU CB C 10 30.457 30.365 0.092 1
1 32 . 5 1 1 A 10 10 GLU C C 10 176.284 175.824 0.460 1
1 33 . 5 1 1 A 11 11 LYS N N 11 121.889 120.873 1.016 1
1 34 . 5 1 1 A 11 11 LYS H H 11 8.297 7.355 0.942 1
1 35 . 5 1 1 A 11 11 LYS CA C 11 53.828 54.836 -1.008 1
1 36 . 5 1 1 A 11 11 LYS HA H 11 4.504 4.359 0.145 1
1 37 . 5 1 1 A 11 11 LYS CB C 11 32.938 31.909 1.029 1
1 48 . 5 1 1 A 12 12 PRO CA C 12 63.404 63.874 -0.470 1
1 49 . 5 1 1 A 12 12 PRO HA H 12 4.258 4.279 -0.021 1
1 50 . 5 1 1 A 12 12 PRO CB C 12 32.224 31.176 1.048 1
1 59 . 5 1 1 A 12 12 PRO C C 12 176.340 175.507 0.833 1
1 60 . 5 1 1 A 13 13 TYR N N 13 118.367 119.153 -0.786 1
1 61 . 5 1 1 A 13 13 TYR H H 13 7.933 7.406 0.527 1
1 62 . 5 1 1 A 13 13 TYR CA C 13 57.250 56.959 0.291 1
1 63 . 5 1 1 A 13 13 TYR HA H 13 4.664 5.378 -0.714 1
1 64 . 5 1 1 A 13 13 TYR CB C 13 38.486 41.040 -2.554 1
1 75 . 5 1 1 A 13 13 TYR C C 13 174.622 174.567 0.055 1
1 76 . 5 1 1 A 14 14 GLU N N 14 124.142 124.611 -0.469 1
1 77 . 5 1 1 A 14 14 GLU H H 14 8.524 9.019 -0.495 1
1 78 . 5 1 1 A 14 14 GLU CA C 14 55.138 55.108 0.030 1
1 79 . 5 1 1 A 14 14 GLU HA H 14 4.883 5.315 -0.432 1
1 80 . 5 1 1 A 14 14 GLU CB C 14 32.979 33.431 -0.452 1
1 86 . 5 1 1 A 14 14 GLU C C 14 175.112 175.247 -0.135 1
1 87 . 5 1 1 A 15 15 CYS N N 15 126.468 125.973 0.495 1
1 88 . 5 1 1 A 15 15 CYS H H 15 9.176 9.176 0.000 1
1 89 . 5 1 1 A 15 15 CYS CA C 15 59.621 59.498 0.123 1
1 90 . 5 1 1 A 15 15 CYS HA H 15 4.549 4.720 -0.171 1
1 91 . 5 1 1 A 15 15 CYS CB C 15 29.673 28.989 0.684 1
1 94 . 5 1 1 A 15 15 CYS C C 15 177.028 174.428 2.600 1
1 95 . 5 1 1 A 16 16 LYS N N 16 130.332 125.250 5.082 1
1 96 . 5 1 1 A 16 16 LYS H H 16 9.220 8.939 0.281 1
1 97 . 5 1 1 A 16 16 LYS CA C 16 57.744 57.600 0.144 1
1 98 . 5 1 1 A 16 16 LYS HA H 16 4.284 4.484 -0.200 1
1 99 . 5 1 1 A 16 16 LYS CB C 16 32.162 33.973 -1.811 1
1 111 . 5 1 1 A 16 16 LYS C C 16 177.052 178.736 -1.684 1
1 112 . 5 1 1 A 17 17 VAL N N 17 121.440 119.679 1.761 1
1 113 . 5 1 1 A 17 17 VAL H H 17 8.817 7.855 0.962 1
1 114 . 5 1 1 A 17 17 VAL CA C 17 65.126 66.781 -1.655 1
1 115 . 5 1 1 A 17 17 VAL HA H 17 3.787 3.513 0.274 1
1 116 . 5 1 1 A 17 17 VAL CB C 17 32.790 31.392 1.398 1
1 126 . 5 1 1 A 17 17 VAL C C 17 177.095 177.832 -0.737 1
1 127 . 5 1 1 A 18 18 CYS N N 18 116.697 117.018 -0.321 1
1 128 . 5 1 1 A 18 18 CYS H H 18 8.024 7.938 0.086 1
1 129 . 5 1 1 A 18 18 CYS CA C 18 58.412 60.011 -1.599 1
1 130 . 5 1 1 A 18 18 CYS HA H 18 5.148 4.421 0.727 1
1 131 . 5 1 1 A 18 18 CYS CB C 18 32.282 28.794 3.488 1
1 134 . 5 1 1 A 18 18 CYS C C 18 175.649 175.040 0.609 1
1 135 . 5 1 1 A 19 19 SER N N 19 115.473 115.900 -0.427 1
1 136 . 5 1 1 A 19 19 SER H H 19 8.025 8.231 -0.206 1
1 137 . 5 1 1 A 19 19 SER CA C 19 61.107 59.227 1.880 1
1 138 . 5 1 1 A 19 19 SER HA H 19 4.344 4.461 -0.117 1
1 139 . 5 1 1 A 19 19 SER CB C 19 62.187 61.839 0.348 1
1 142 . 5 1 1 A 19 19 SER C C 19 173.220 173.749 -0.529 1
1 143 . 5 1 1 A 20 20 LYS N N 20 123.593 120.817 2.776 1
1 144 . 5 1 1 A 20 20 LYS H H 20 8.026 7.691 0.335 1
1 145 . 5 1 1 A 20 20 LYS CA C 20 58.115 54.720 3.395 1
1 146 . 5 1 1 A 20 20 LYS HA H 20 4.007 4.881 -0.874 1
1 147 . 5 1 1 A 20 20 LYS CB C 20 33.813 35.145 -1.332 1
1 159 . 5 1 1 A 20 20 LYS C C 20 173.846 174.866 -1.020 1
1 160 . 5 1 1 A 21 21 ALA N N 21 124.213 123.770 0.443 1
1 161 . 5 1 1 A 21 21 ALA H H 21 7.837 8.271 -0.434 1
1 162 . 5 1 1 A 21 21 ALA CA C 21 50.509 50.617 -0.108 1
1 163 . 5 1 1 A 21 21 ALA HA H 21 5.125 5.308 -0.183 1
1 164 . 5 1 1 A 21 21 ALA CB C 21 22.361 22.418 -0.057 1
1 168 . 5 1 1 A 21 21 ALA C C 21 176.165 175.244 0.921 1
1 169 . 5 1 1 A 22 22 PHE N N 22 116.773 118.532 -1.759 1
1 170 . 5 1 1 A 22 22 PHE H H 22 8.660 8.923 -0.263 1
1 171 . 5 1 1 A 22 22 PHE CA C 22 57.228 56.539 0.689 1
1 172 . 5 1 1 A 22 22 PHE HA H 22 4.872 4.982 -0.110 1
1 173 . 5 1 1 A 22 22 PHE CB C 22 43.970 43.785 0.185 1
1 186 . 5 1 1 A 22 22 PHE C C 22 175.596 175.382 0.214 1
1 187 . 5 1 1 A 23 23 THR N N 23 112.435 112.742 -0.307 1
1 188 . 5 1 1 A 23 23 THR H H 23 9.419 8.871 0.548 1
1 189 . 5 1 1 A 23 23 THR CA C 23 63.752 61.564 2.188 1
1 190 . 5 1 1 A 23 23 THR HA H 23 4.538 4.865 -0.327 1
1 191 . 5 1 1 A 23 23 THR CB C 23 69.791 69.273 0.518 1
1 197 . 5 1 1 A 23 23 THR C C 23 174.879 174.310 0.569 1
1 198 . 5 1 1 A 24 24 GLN N N 24 116.006 120.315 -4.309 1
1 199 . 5 1 1 A 24 24 GLN H H 24 7.257 7.614 -0.357 1
1 200 . 5 1 1 A 24 24 GLN CA C 24 53.833 54.736 -0.903 1
1 201 . 5 1 1 A 24 24 GLN HA H 24 4.721 4.609 0.112 1
1 202 . 5 1 1 A 24 24 GLN CB C 24 31.008 31.510 -0.502 1
1 211 . 5 1 1 A 24 24 GLN C C 24 176.152 175.475 0.677 1
1 212 . 5 1 1 A 25 25 LYS N N 25 127.585 124.152 3.433 1
1 213 . 5 1 1 A 25 25 LYS H H 25 8.608 8.250 0.358 1
1 214 . 5 1 1 A 25 25 LYS CA C 25 59.831 58.361 1.470 1
1 215 . 5 1 1 A 25 25 LYS HA H 25 2.994 3.185 -0.191 1
1 216 . 5 1 1 A 25 25 LYS CB C 25 31.771 31.647 0.124 1
1 228 . 5 1 1 A 25 25 LYS C C 25 178.888 177.840 1.048 1
1 229 . 5 1 1 A 26 26 ALA CA C 26 54.777 54.738 0.039 1
1 230 . 5 1 1 A 26 26 ALA HA H 26 4.073 3.995 0.078 1
1 231 . 5 1 1 A 26 26 ALA CB C 26 18.221 17.747 0.474 1
1 235 . 5 1 1 A 26 26 ALA C C 26 180.193 179.395 0.798 1
1 236 . 5 1 1 A 27 27 HIS N N 27 115.655 115.372 0.283 1
1 237 . 5 1 1 A 27 27 HIS H H 27 6.808 7.985 -1.177 1
1 238 . 5 1 1 A 27 27 HIS CA C 27 56.597 59.246 -2.649 1
1 239 . 5 1 1 A 27 27 HIS HA H 27 4.441 4.172 0.269 1
1 240 . 5 1 1 A 27 27 HIS CB C 27 31.644 30.748 0.896 1
1 247 . 5 1 1 A 27 27 HIS C C 27 178.584 177.451 1.133 1
1 248 . 5 1 1 A 28 28 LEU N N 28 121.599 121.179 0.420 1
1 249 . 5 1 1 A 28 28 LEU H H 28 7.008 7.709 -0.701 1
1 250 . 5 1 1 A 28 28 LEU CA C 28 57.764 57.580 0.184 1
1 251 . 5 1 1 A 28 28 LEU HA H 28 3.280 2.989 0.291 1
1 252 . 5 1 1 A 28 28 LEU CB C 28 40.215 41.645 -1.430 1
1 265 . 5 1 1 A 28 28 LEU C C 28 177.435 177.954 -0.519 1
1 266 . 5 1 1 A 29 29 ALA N N 29 121.543 120.041 1.502 1
1 267 . 5 1 1 A 29 29 ALA H H 29 8.100 8.600 -0.500 1
1 268 . 5 1 1 A 29 29 ALA CA C 29 55.208 55.403 -0.195 1
1 269 . 5 1 1 A 29 29 ALA HA H 29 4.148 3.909 0.239 1
1 270 . 5 1 1 A 29 29 ALA CB C 29 17.731 18.348 -0.617 1
1 274 . 5 1 1 A 29 29 ALA C C 29 180.709 180.101 0.608 1
1 275 . 5 1 1 A 30 30 GLN N N 30 116.397 117.360 -0.963 1
1 276 . 5 1 1 A 30 30 GLN H H 30 7.564 7.488 0.076 1
1 277 . 5 1 1 A 30 30 GLN CA C 30 58.469 58.582 -0.113 1
1 278 . 5 1 1 A 30 30 GLN HA H 30 3.997 4.027 -0.030 1
1 279 . 5 1 1 A 30 30 GLN CB C 30 28.395 28.522 -0.127 1
1 288 . 5 1 1 A 30 30 GLN C C 30 178.538 178.169 0.369 1
1 289 . 5 1 1 A 31 31 HIS N N 31 119.006 121.415 -2.409 1
1 290 . 5 1 1 A 31 31 HIS H H 31 7.685 8.386 -0.701 1
1 291 . 5 1 1 A 31 31 HIS CA C 31 59.033 59.085 -0.052 1
1 292 . 5 1 1 A 31 31 HIS HA H 31 4.262 4.051 0.211 1
1 293 . 5 1 1 A 31 31 HIS CB C 31 28.627 29.956 -1.329 1
1 300 . 5 1 1 A 31 31 HIS C C 31 177.956 176.900 1.056 1
1 301 . 5 1 1 A 32 32 GLN N N 32 119.870 117.653 2.217 1
1 302 . 5 1 1 A 32 32 GLN H H 32 8.809 8.517 0.292 1
1 303 . 5 1 1 A 32 32 GLN CA C 32 59.611 59.057 0.554 1
1 304 . 5 1 1 A 32 32 GLN HA H 32 3.747 3.796 -0.049 1
1 305 . 5 1 1 A 32 32 GLN CB C 32 28.255 28.333 -0.078 1
1 314 . 5 1 1 A 32 32 GLN C C 32 177.728 177.804 -0.076 1
1 315 . 5 1 1 A 33 33 LYS N N 33 116.864 118.173 -1.309 1
1 316 . 5 1 1 A 33 33 LYS H H 33 7.108 7.955 -0.847 1
1 317 . 5 1 1 A 33 33 LYS CA C 33 58.613 58.643 -0.030 1
1 318 . 5 1 1 A 33 33 LYS HA H 33 4.149 4.101 0.048 1
1 319 . 5 1 1 A 33 33 LYS CB C 33 32.203 32.641 -0.438 1
1 331 . 5 1 1 A 33 33 LYS C C 33 178.099 178.916 -0.817 1
1 332 . 5 1 1 A 34 34 THR N N 34 109.562 114.885 -5.323 1
1 333 . 5 1 1 A 34 34 THR H H 34 7.736 8.149 -0.413 1
1 334 . 5 1 1 A 34 34 THR CA C 34 63.792 64.412 -0.620 1
1 335 . 5 1 1 A 34 34 THR HA H 34 4.131 3.986 0.145 1
1 336 . 5 1 1 A 34 34 THR CB C 34 69.387 68.668 0.719 1
1 342 . 5 1 1 A 34 34 THR C C 34 175.335 175.010 0.325 1
1 343 . 5 1 1 A 35 35 HIS N N 35 118.240 119.775 -1.535 1
1 344 . 5 1 1 A 35 35 HIS H H 35 7.156 7.198 -0.042 1
1 345 . 5 1 1 A 35 35 HIS CA C 35 55.103 57.019 -1.916 1
1 346 . 5 1 1 A 35 35 HIS HA H 35 4.972 4.403 0.569 1
1 347 . 5 1 1 A 35 35 HIS CB C 35 28.657 30.497 -1.840 1
1 354 . 5 1 1 A 35 35 HIS C C 35 175.393 175.307 0.086 1
1 355 . 5 1 1 A 36 36 THR N N 36 113.040 117.381 -4.341 1
1 356 . 5 1 1 A 36 36 THR H H 36 7.839 8.516 -0.677 1
1 357 . 5 1 1 A 36 36 THR CA C 36 61.871 60.402 1.469 1
1 358 . 5 1 1 A 36 36 THR HA H 36 4.369 4.954 -0.585 1
1 359 . 5 1 1 A 36 36 THR CB C 36 69.836 70.884 -1.048 1
1 365 . 5 1 1 A 36 36 THR C C 36 175.280 174.247 1.033 1
1 366 . 5 1 1 A 37 37 GLY CA C 37 45.249 45.697 -0.448 1
1 367 . 5 1 1 A 37 37 GLY HA2 H 37 4.008 4.190 -0.182 1
1 368 . 5 1 1 A 37 37 GLY HA3 H 37 4.008 4.196 -0.188 1
1 369 . 5 1 1 A 37 37 GLY C C 37 174.005 171.866 2.139 1
1 370 . 5 1 1 A 38 38 GLU N N 38 120.596 125.730 -5.134 1
1 371 . 5 1 1 A 38 38 GLU H H 38 8.130 8.602 -0.472 1
1 372 . 5 1 1 A 38 38 GLU CA C 38 56.422 55.096 1.326 1
1 373 . 5 1 1 A 38 38 GLU HA H 38 4.265 4.718 -0.453 1
1 374 . 5 1 1 A 38 38 GLU CB C 38 30.578 30.535 0.043 1
1 380 . 5 1 1 A 38 38 GLU C C 38 176.250 174.786 1.464 1
1 381 . 5 1 1 A 39 39 LYS N N 39 123.746 128.155 -4.409 1
1 382 . 5 1 1 A 39 39 LYS H H 39 8.424 8.960 -0.536 1
1 383 . 5 1 1 A 39 39 LYS CA C 39 54.157 52.820 1.337 1
1 384 . 5 1 1 A 39 39 LYS HA H 39 4.612 4.987 -0.375 1
1 385 . 5 1 1 A 39 39 LYS CB C 39 32.575 33.699 -1.124 1
1 395 . 5 1 1 A 39 39 LYS C C 39 174.466 174.483 -0.017 1
1 396 . 5 1 1 A 40 40 PRO CA C 40 63.253 62.712 0.541 1
1 397 . 5 1 1 A 40 40 PRO HA H 40 4.480 4.519 -0.039 1
1 398 . 5 1 1 A 40 40 PRO CB C 40 32.250 31.907 0.343 1
1 406 . 5 1 1 A 42 42 GLY N N 42 110.630 111.350 -0.720 1
1 407 . 5 1 1 A 42 42 GLY H H 42 8.218 8.314 -0.096 1
1 408 . 5 1 1 A 42 42 GLY CA C 42 44.674 45.465 -0.791 1
1 409 . 5 1 1 A 42 42 GLY HA2 H 42 4.116 4.242 -0.126 1
1 410 . 5 1 1 A 42 42 GLY HA3 H 42 4.165 4.243 -0.078 1
1 411 . 5 1 1 A 43 43 PRO CA C 43 63.242 63.637 -0.395 1
1 412 . 5 1 1 A 43 43 PRO HA H 43 4.487 4.422 0.065 1
1 413 . 5 1 1 A 43 43 PRO CB C 43 32.343 31.756 0.587 1
1 420 . 5 1 1 A 44 44 SER N N 44 116.476 117.557 -1.081 1
1 421 . 5 1 1 A 44 44 SER H H 44 8.466 8.722 -0.256 1
1 422 . 5 1 1 A 44 44 SER CA C 44 58.347 58.988 -0.641 1
1 423 . 5 1 1 A 44 44 SER HA H 44 4.479 4.215 0.264 1
1 424 . 5 1 1 A 44 44 SER CB C 44 64.148 61.064 3.084 1
1 426 . 5 1 1 A 45 45 SER CA C 45 58.438 58.465 -0.027 1
1 427 . 5 1 1 A 45 45 SER HA H 45 4.493 4.384 0.109 1
1 428 . 5 1 1 A 45 45 SER CB C 45 63.960 64.276 -0.316 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.478 46.241 -0.763 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.042 4.102 -0.060 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.042 4.102 -0.060 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.517 173.306 1.211 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.852 115.181 -2.329 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.150 8.572 -0.422 1
1 7 . 6 1 1 A 8 8 THR CA C 8 62.463 60.485 1.978 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.364 4.878 -0.514 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.776 69.738 0.038 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.241 174.458 0.783 1
1 16 . 6 1 1 A 9 9 GLY N N 9 111.036 113.247 -2.211 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.423 8.632 -0.209 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.273 47.009 -1.736 1
1 19 . 6 1 1 A 9 9 GLY HA2 H 9 3.918 3.880 0.038 1
1 20 . 6 1 1 A 9 9 GLY HA3 H 9 3.965 3.881 0.084 1
1 21 . 6 1 1 A 9 9 GLY C C 9 174.013 174.527 -0.514 1
1 22 . 6 1 1 A 10 10 GLU N N 10 120.348 116.746 3.602 1
1 23 . 6 1 1 A 10 10 GLU H H 10 8.209 8.029 0.180 1
1 24 . 6 1 1 A 10 10 GLU CA C 10 56.820 56.274 0.546 1
1 25 . 6 1 1 A 10 10 GLU HA H 10 4.193 4.468 -0.275 1
1 26 . 6 1 1 A 10 10 GLU CB C 10 30.457 30.563 -0.106 1
1 32 . 6 1 1 A 10 10 GLU C C 10 176.284 175.707 0.577 1
1 33 . 6 1 1 A 11 11 LYS N N 11 121.889 121.634 0.255 1
1 34 . 6 1 1 A 11 11 LYS H H 11 8.297 8.433 -0.136 1
1 35 . 6 1 1 A 11 11 LYS CA C 11 53.828 52.736 1.092 1
1 36 . 6 1 1 A 11 11 LYS HA H 11 4.504 4.839 -0.335 1
1 37 . 6 1 1 A 11 11 LYS CB C 11 32.938 34.171 -1.233 1
1 48 . 6 1 1 A 12 12 PRO CA C 12 63.404 63.905 -0.501 1
1 49 . 6 1 1 A 12 12 PRO HA H 12 4.258 4.350 -0.092 1
1 50 . 6 1 1 A 12 12 PRO CB C 12 32.224 31.309 0.915 1
1 59 . 6 1 1 A 12 12 PRO C C 12 176.340 175.696 0.644 1
1 60 . 6 1 1 A 13 13 TYR N N 13 118.367 118.733 -0.366 1
1 61 . 6 1 1 A 13 13 TYR H H 13 7.933 7.538 0.395 1
1 62 . 6 1 1 A 13 13 TYR CA C 13 57.250 56.674 0.576 1
1 63 . 6 1 1 A 13 13 TYR HA H 13 4.664 5.312 -0.648 1
1 64 . 6 1 1 A 13 13 TYR CB C 13 38.486 40.337 -1.851 1
1 75 . 6 1 1 A 13 13 TYR C C 13 174.622 174.355 0.267 1
1 76 . 6 1 1 A 14 14 GLU N N 14 124.142 125.373 -1.231 1
1 77 . 6 1 1 A 14 14 GLU H H 14 8.524 9.142 -0.618 1
1 78 . 6 1 1 A 14 14 GLU CA C 14 55.138 54.684 0.454 1
1 79 . 6 1 1 A 14 14 GLU HA H 14 4.883 5.307 -0.424 1
1 80 . 6 1 1 A 14 14 GLU CB C 14 32.979 33.704 -0.725 1
1 86 . 6 1 1 A 14 14 GLU C C 14 175.112 174.370 0.742 1
1 87 . 6 1 1 A 15 15 CYS N N 15 126.468 123.567 2.901 1
1 88 . 6 1 1 A 15 15 CYS H H 15 9.176 9.283 -0.107 1
1 89 . 6 1 1 A 15 15 CYS CA C 15 59.621 57.361 2.260 1
1 90 . 6 1 1 A 15 15 CYS HA H 15 4.549 5.025 -0.476 1
1 91 . 6 1 1 A 15 15 CYS CB C 15 29.673 30.189 -0.516 1
1 94 . 6 1 1 A 15 15 CYS C C 15 177.028 174.814 2.214 1
1 95 . 6 1 1 A 16 16 LYS N N 16 130.332 124.670 5.662 1
1 96 . 6 1 1 A 16 16 LYS H H 16 9.220 8.914 0.306 1
1 97 . 6 1 1 A 16 16 LYS CA C 16 57.744 56.622 1.122 1
1 98 . 6 1 1 A 16 16 LYS HA H 16 4.284 4.512 -0.228 1
1 99 . 6 1 1 A 16 16 LYS CB C 16 32.162 33.630 -1.468 1
1 111 . 6 1 1 A 16 16 LYS C C 16 177.052 178.512 -1.460 1
1 112 . 6 1 1 A 17 17 VAL N N 17 121.440 119.563 1.877 1
1 113 . 6 1 1 A 17 17 VAL H H 17 8.817 7.412 1.405 1
1 114 . 6 1 1 A 17 17 VAL CA C 17 65.126 66.324 -1.198 1
1 115 . 6 1 1 A 17 17 VAL HA H 17 3.787 3.480 0.307 1
1 116 . 6 1 1 A 17 17 VAL CB C 17 32.790 31.434 1.356 1
1 126 . 6 1 1 A 17 17 VAL C C 17 177.095 177.403 -0.308 1
1 127 . 6 1 1 A 18 18 CYS N N 18 116.697 115.555 1.142 1
1 128 . 6 1 1 A 18 18 CYS H H 18 8.024 7.478 0.546 1
1 129 . 6 1 1 A 18 18 CYS CA C 18 58.412 58.025 0.387 1
1 130 . 6 1 1 A 18 18 CYS HA H 18 5.148 4.660 0.488 1
1 131 . 6 1 1 A 18 18 CYS CB C 18 32.282 27.295 4.987 1
1 134 . 6 1 1 A 18 18 CYS C C 18 175.649 174.481 1.168 1
1 135 . 6 1 1 A 19 19 SER N N 19 115.473 112.545 2.928 1
1 136 . 6 1 1 A 19 19 SER H H 19 8.025 8.143 -0.118 1
1 137 . 6 1 1 A 19 19 SER CA C 19 61.107 59.326 1.781 1
1 138 . 6 1 1 A 19 19 SER HA H 19 4.344 4.544 -0.200 1
1 139 . 6 1 1 A 19 19 SER CB C 19 62.187 61.323 0.864 1
1 142 . 6 1 1 A 19 19 SER C C 19 173.220 173.070 0.150 1
1 143 . 6 1 1 A 20 20 LYS N N 20 123.593 121.092 2.501 1
1 144 . 6 1 1 A 20 20 LYS H H 20 8.026 7.824 0.202 1
1 145 . 6 1 1 A 20 20 LYS CA C 20 58.115 56.402 1.713 1
1 146 . 6 1 1 A 20 20 LYS HA H 20 4.007 4.225 -0.218 1
1 147 . 6 1 1 A 20 20 LYS CB C 20 33.813 33.422 0.391 1
1 159 . 6 1 1 A 20 20 LYS C C 20 173.846 175.162 -1.316 1
1 160 . 6 1 1 A 21 21 ALA N N 21 124.213 126.516 -2.303 1
1 161 . 6 1 1 A 21 21 ALA H H 21 7.837 8.122 -0.285 1
1 162 . 6 1 1 A 21 21 ALA CA C 21 50.509 49.675 0.834 1
1 163 . 6 1 1 A 21 21 ALA HA H 21 5.125 5.536 -0.411 1
1 164 . 6 1 1 A 21 21 ALA CB C 21 22.361 22.756 -0.395 1
1 168 . 6 1 1 A 21 21 ALA C C 21 176.165 175.642 0.523 1
1 169 . 6 1 1 A 22 22 PHE N N 22 116.773 116.783 -0.010 1
1 170 . 6 1 1 A 22 22 PHE H H 22 8.660 8.583 0.077 1
1 171 . 6 1 1 A 22 22 PHE CA C 22 57.228 56.850 0.378 1
1 172 . 6 1 1 A 22 22 PHE HA H 22 4.872 4.962 -0.090 1
1 173 . 6 1 1 A 22 22 PHE CB C 22 43.970 43.439 0.531 1
1 186 . 6 1 1 A 22 22 PHE C C 22 175.596 175.673 -0.077 1
1 187 . 6 1 1 A 23 23 THR N N 23 112.435 116.805 -4.370 1
1 188 . 6 1 1 A 23 23 THR H H 23 9.419 8.795 0.624 1
1 189 . 6 1 1 A 23 23 THR CA C 23 63.752 63.607 0.145 1
1 190 . 6 1 1 A 23 23 THR HA H 23 4.538 4.409 0.129 1
1 191 . 6 1 1 A 23 23 THR CB C 23 69.791 69.964 -0.173 1
1 197 . 6 1 1 A 23 23 THR C C 23 174.879 174.135 0.744 1
1 198 . 6 1 1 A 24 24 GLN N N 24 116.006 118.070 -2.064 1
1 199 . 6 1 1 A 24 24 GLN H H 24 7.257 7.876 -0.619 1
1 200 . 6 1 1 A 24 24 GLN CA C 24 53.833 54.477 -0.644 1
1 201 . 6 1 1 A 24 24 GLN HA H 24 4.721 4.794 -0.073 1
1 202 . 6 1 1 A 24 24 GLN CB C 24 31.008 31.960 -0.952 1
1 211 . 6 1 1 A 24 24 GLN C C 24 176.152 176.067 0.085 1
1 212 . 6 1 1 A 25 25 LYS N N 25 127.585 122.156 5.429 1
1 213 . 6 1 1 A 25 25 LYS H H 25 8.608 8.469 0.139 1
1 214 . 6 1 1 A 25 25 LYS CA C 25 59.831 58.593 1.238 1
1 215 . 6 1 1 A 25 25 LYS HA H 25 2.994 3.177 -0.183 1
1 216 . 6 1 1 A 25 25 LYS CB C 25 31.771 31.509 0.262 1
1 228 . 6 1 1 A 25 25 LYS C C 25 178.888 177.938 0.950 1
1 229 . 6 1 1 A 26 26 ALA CA C 26 54.777 55.072 -0.295 1
1 230 . 6 1 1 A 26 26 ALA HA H 26 4.073 4.046 0.027 1
1 231 . 6 1 1 A 26 26 ALA CB C 26 18.221 18.769 -0.548 1
1 235 . 6 1 1 A 26 26 ALA C C 26 180.193 179.684 0.509 1
1 236 . 6 1 1 A 27 27 HIS N N 27 115.655 118.336 -2.681 1
1 237 . 6 1 1 A 27 27 HIS H H 27 6.808 7.982 -1.174 1
1 238 . 6 1 1 A 27 27 HIS CA C 27 56.597 59.877 -3.280 1
1 239 . 6 1 1 A 27 27 HIS HA H 27 4.441 4.190 0.251 1
1 240 . 6 1 1 A 27 27 HIS CB C 27 31.644 29.651 1.993 1
1 247 . 6 1 1 A 27 27 HIS C C 27 178.584 176.195 2.389 1
1 248 . 6 1 1 A 28 28 LEU N N 28 121.599 120.045 1.554 1
1 249 . 6 1 1 A 28 28 LEU H H 28 7.008 7.388 -0.380 1
1 250 . 6 1 1 A 28 28 LEU CA C 28 57.764 57.230 0.534 1
1 251 . 6 1 1 A 28 28 LEU HA H 28 3.280 2.652 0.628 1
1 252 . 6 1 1 A 28 28 LEU CB C 28 40.215 41.149 -0.934 1
1 265 . 6 1 1 A 28 28 LEU C C 28 177.435 177.803 -0.368 1
1 266 . 6 1 1 A 29 29 ALA N N 29 121.543 120.779 0.764 1
1 267 . 6 1 1 A 29 29 ALA H H 29 8.100 8.706 -0.606 1
1 268 . 6 1 1 A 29 29 ALA CA C 29 55.208 55.388 -0.180 1
1 269 . 6 1 1 A 29 29 ALA HA H 29 4.148 3.867 0.281 1
1 270 . 6 1 1 A 29 29 ALA CB C 29 17.731 18.280 -0.549 1
1 274 . 6 1 1 A 29 29 ALA C C 29 180.709 179.615 1.094 1
1 275 . 6 1 1 A 30 30 GLN N N 30 116.397 118.043 -1.646 1
1 276 . 6 1 1 A 30 30 GLN H H 30 7.564 7.954 -0.390 1
1 277 . 6 1 1 A 30 30 GLN CA C 30 58.469 58.812 -0.343 1
1 278 . 6 1 1 A 30 30 GLN HA H 30 3.997 4.020 -0.023 1
1 279 . 6 1 1 A 30 30 GLN CB C 30 28.395 28.421 -0.026 1
1 288 . 6 1 1 A 30 30 GLN C C 30 178.538 178.366 0.172 1
1 289 . 6 1 1 A 31 31 HIS N N 31 119.006 119.645 -0.639 1
1 290 . 6 1 1 A 31 31 HIS H H 31 7.685 8.012 -0.327 1
1 291 . 6 1 1 A 31 31 HIS CA C 31 59.033 59.594 -0.561 1
1 292 . 6 1 1 A 31 31 HIS HA H 31 4.262 4.168 0.094 1
1 293 . 6 1 1 A 31 31 HIS CB C 31 28.627 29.777 -1.150 1
1 300 . 6 1 1 A 31 31 HIS C C 31 177.956 176.638 1.318 1
1 301 . 6 1 1 A 32 32 GLN N N 32 119.870 117.052 2.818 1
1 302 . 6 1 1 A 32 32 GLN H H 32 8.809 8.434 0.375 1
1 303 . 6 1 1 A 32 32 GLN CA C 32 59.611 58.973 0.638 1
1 304 . 6 1 1 A 32 32 GLN HA H 32 3.747 3.590 0.157 1
1 305 . 6 1 1 A 32 32 GLN CB C 32 28.255 28.274 -0.019 1
1 314 . 6 1 1 A 32 32 GLN C C 32 177.728 178.433 -0.705 1
1 315 . 6 1 1 A 33 33 LYS N N 33 116.864 119.275 -2.411 1
1 316 . 6 1 1 A 33 33 LYS H H 33 7.108 7.957 -0.849 1
1 317 . 6 1 1 A 33 33 LYS CA C 33 58.613 59.173 -0.560 1
1 318 . 6 1 1 A 33 33 LYS HA H 33 4.149 3.894 0.255 1
1 319 . 6 1 1 A 33 33 LYS CB C 33 32.203 32.163 0.040 1
1 331 . 6 1 1 A 33 33 LYS C C 33 178.099 178.624 -0.525 1
1 332 . 6 1 1 A 34 34 THR N N 34 109.562 114.822 -5.260 1
1 333 . 6 1 1 A 34 34 THR H H 34 7.736 8.156 -0.420 1
1 334 . 6 1 1 A 34 34 THR CA C 34 63.792 64.709 -0.917 1
1 335 . 6 1 1 A 34 34 THR HA H 34 4.131 3.946 0.185 1
1 336 . 6 1 1 A 34 34 THR CB C 34 69.387 69.004 0.383 1
1 342 . 6 1 1 A 34 34 THR C C 34 175.335 174.574 0.761 1
1 343 . 6 1 1 A 35 35 HIS N N 35 118.240 118.524 -0.284 1
1 344 . 6 1 1 A 35 35 HIS H H 35 7.156 7.938 -0.782 1
1 345 . 6 1 1 A 35 35 HIS CA C 35 55.103 56.468 -1.365 1
1 346 . 6 1 1 A 35 35 HIS HA H 35 4.972 4.631 0.341 1
1 347 . 6 1 1 A 35 35 HIS CB C 35 28.657 30.721 -2.064 1
1 354 . 6 1 1 A 35 35 HIS C C 35 175.393 174.952 0.441 1
1 355 . 6 1 1 A 36 36 THR N N 36 113.040 112.699 0.341 1
1 356 . 6 1 1 A 36 36 THR H H 36 7.839 8.539 -0.700 1
1 357 . 6 1 1 A 36 36 THR CA C 36 61.871 60.401 1.470 1
1 358 . 6 1 1 A 36 36 THR HA H 36 4.369 4.987 -0.618 1
1 359 . 6 1 1 A 36 36 THR CB C 36 69.836 70.821 -0.985 1
1 365 . 6 1 1 A 36 36 THR C C 36 175.280 174.536 0.744 1
1 366 . 6 1 1 A 37 37 GLY CA C 37 45.249 45.793 -0.544 1
1 367 . 6 1 1 A 37 37 GLY HA2 H 37 4.008 4.197 -0.189 1
1 368 . 6 1 1 A 37 37 GLY HA3 H 37 4.008 4.199 -0.191 1
1 369 . 6 1 1 A 37 37 GLY C C 37 174.005 173.140 0.865 1
1 370 . 6 1 1 A 38 38 GLU N N 38 120.596 121.736 -1.140 1
1 371 . 6 1 1 A 38 38 GLU H H 38 8.130 8.242 -0.112 1
1 372 . 6 1 1 A 38 38 GLU CA C 38 56.422 55.121 1.301 1
1 373 . 6 1 1 A 38 38 GLU HA H 38 4.265 4.858 -0.593 1
1 374 . 6 1 1 A 38 38 GLU CB C 38 30.578 31.663 -1.085 1
1 380 . 6 1 1 A 38 38 GLU C C 38 176.250 175.193 1.057 1
1 381 . 6 1 1 A 39 39 LYS N N 39 123.746 126.981 -3.235 1
1 382 . 6 1 1 A 39 39 LYS H H 39 8.424 8.716 -0.292 1
1 383 . 6 1 1 A 39 39 LYS CA C 39 54.157 53.413 0.744 1
1 384 . 6 1 1 A 39 39 LYS HA H 39 4.612 4.962 -0.350 1
1 385 . 6 1 1 A 39 39 LYS CB C 39 32.575 33.379 -0.804 1
1 395 . 6 1 1 A 39 39 LYS C C 39 174.466 173.737 0.729 1
1 396 . 6 1 1 A 40 40 PRO CA C 40 63.253 63.387 -0.134 1
1 397 . 6 1 1 A 40 40 PRO HA H 40 4.480 4.456 0.024 1
1 398 . 6 1 1 A 40 40 PRO CB C 40 32.250 32.121 0.129 1
1 406 . 6 1 1 A 42 42 GLY N N 42 110.630 108.813 1.817 1
1 407 . 6 1 1 A 42 42 GLY H H 42 8.218 7.873 0.345 1
1 408 . 6 1 1 A 42 42 GLY CA C 42 44.674 45.892 -1.218 1
1 409 . 6 1 1 A 42 42 GLY HA2 H 42 4.116 4.321 -0.205 1
1 410 . 6 1 1 A 42 42 GLY HA3 H 42 4.165 4.321 -0.156 1
1 411 . 6 1 1 A 43 43 PRO CA C 43 63.242 63.663 -0.421 1
1 412 . 6 1 1 A 43 43 PRO HA H 43 4.487 4.556 -0.069 1
1 413 . 6 1 1 A 43 43 PRO CB C 43 32.343 31.876 0.467 1
1 420 . 6 1 1 A 44 44 SER N N 44 116.476 114.793 1.683 1
1 421 . 6 1 1 A 44 44 SER H H 44 8.466 7.687 0.779 1
1 422 . 6 1 1 A 44 44 SER CA C 44 58.347 58.292 0.055 1
1 423 . 6 1 1 A 44 44 SER HA H 44 4.479 4.401 0.078 1
1 424 . 6 1 1 A 44 44 SER CB C 44 64.148 63.706 0.442 1
1 426 . 6 1 1 A 45 45 SER CA C 45 58.438 59.486 -1.048 1
1 427 . 6 1 1 A 45 45 SER HA H 45 4.493 4.173 0.320 1
1 428 . 6 1 1 A 45 45 SER CB C 45 63.960 61.878 2.082 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.478 45.623 -0.145 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.042 4.079 -0.037 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.042 4.081 -0.039 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.517 175.278 -0.761 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.852 115.138 -2.286 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.150 7.866 0.284 1
1 7 . 7 1 1 A 8 8 THR CA C 8 62.463 64.688 -2.225 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.364 3.986 0.378 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.776 69.613 0.163 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.241 174.720 0.521 1
1 16 . 7 1 1 A 9 9 GLY N N 9 111.036 107.874 3.162 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.423 7.659 0.764 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.273 44.658 0.615 1
1 19 . 7 1 1 A 9 9 GLY HA2 H 9 3.918 4.005 -0.087 1
1 20 . 7 1 1 A 9 9 GLY HA3 H 9 3.965 4.010 -0.045 1
1 21 . 7 1 1 A 9 9 GLY C C 9 174.013 173.547 0.466 1
1 22 . 7 1 1 A 10 10 GLU N N 10 120.348 120.025 0.323 1
1 23 . 7 1 1 A 10 10 GLU H H 10 8.209 8.573 -0.364 1
1 24 . 7 1 1 A 10 10 GLU CA C 10 56.820 55.246 1.574 1
1 25 . 7 1 1 A 10 10 GLU HA H 10 4.193 4.687 -0.494 1
1 26 . 7 1 1 A 10 10 GLU CB C 10 30.457 29.507 0.950 1
1 32 . 7 1 1 A 10 10 GLU C C 10 176.284 176.657 -0.373 1
1 33 . 7 1 1 A 11 11 LYS N N 11 121.889 120.956 0.933 1
1 34 . 7 1 1 A 11 11 LYS H H 11 8.297 7.298 0.999 1
1 35 . 7 1 1 A 11 11 LYS CA C 11 53.828 54.252 -0.424 1
1 36 . 7 1 1 A 11 11 LYS HA H 11 4.504 4.538 -0.034 1
1 37 . 7 1 1 A 11 11 LYS CB C 11 32.938 31.837 1.101 1
1 48 . 7 1 1 A 12 12 PRO CA C 12 63.404 64.018 -0.614 1
1 49 . 7 1 1 A 12 12 PRO HA H 12 4.258 4.323 -0.065 1
1 50 . 7 1 1 A 12 12 PRO CB C 12 32.224 31.157 1.067 1
1 59 . 7 1 1 A 12 12 PRO C C 12 176.340 175.569 0.771 1
1 60 . 7 1 1 A 13 13 TYR N N 13 118.367 118.724 -0.357 1
1 61 . 7 1 1 A 13 13 TYR H H 13 7.933 7.500 0.433 1
1 62 . 7 1 1 A 13 13 TYR CA C 13 57.250 56.852 0.398 1
1 63 . 7 1 1 A 13 13 TYR HA H 13 4.664 5.387 -0.723 1
1 64 . 7 1 1 A 13 13 TYR CB C 13 38.486 40.663 -2.177 1
1 75 . 7 1 1 A 13 13 TYR C C 13 174.622 174.480 0.142 1
1 76 . 7 1 1 A 14 14 GLU N N 14 124.142 124.753 -0.611 1
1 77 . 7 1 1 A 14 14 GLU H H 14 8.524 9.013 -0.489 1
1 78 . 7 1 1 A 14 14 GLU CA C 14 55.138 55.242 -0.104 1
1 79 . 7 1 1 A 14 14 GLU HA H 14 4.883 5.051 -0.168 1
1 80 . 7 1 1 A 14 14 GLU CB C 14 32.979 33.719 -0.740 1
1 86 . 7 1 1 A 14 14 GLU C C 14 175.112 174.697 0.415 1
1 87 . 7 1 1 A 15 15 CYS N N 15 126.468 125.527 0.941 1
1 88 . 7 1 1 A 15 15 CYS H H 15 9.176 9.169 0.007 1
1 89 . 7 1 1 A 15 15 CYS CA C 15 59.621 59.183 0.438 1
1 90 . 7 1 1 A 15 15 CYS HA H 15 4.549 4.787 -0.238 1
1 91 . 7 1 1 A 15 15 CYS CB C 15 29.673 29.636 0.037 1
1 94 . 7 1 1 A 15 15 CYS C C 15 177.028 174.673 2.355 1
1 95 . 7 1 1 A 16 16 LYS N N 16 130.332 125.151 5.181 1
1 96 . 7 1 1 A 16 16 LYS H H 16 9.220 8.934 0.286 1
1 97 . 7 1 1 A 16 16 LYS CA C 16 57.744 57.615 0.129 1
1 98 . 7 1 1 A 16 16 LYS HA H 16 4.284 4.473 -0.189 1
1 99 . 7 1 1 A 16 16 LYS CB C 16 32.162 33.593 -1.431 1
1 111 . 7 1 1 A 16 16 LYS C C 16 177.052 178.974 -1.922 1
1 112 . 7 1 1 A 17 17 VAL N N 17 121.440 119.862 1.578 1
1 113 . 7 1 1 A 17 17 VAL H H 17 8.817 7.881 0.936 1
1 114 . 7 1 1 A 17 17 VAL CA C 17 65.126 66.807 -1.681 1
1 115 . 7 1 1 A 17 17 VAL HA H 17 3.787 3.466 0.321 1
1 116 . 7 1 1 A 17 17 VAL CB C 17 32.790 31.329 1.461 1
1 126 . 7 1 1 A 17 17 VAL C C 17 177.095 177.720 -0.625 1
1 127 . 7 1 1 A 18 18 CYS N N 18 116.697 117.044 -0.347 1
1 128 . 7 1 1 A 18 18 CYS H H 18 8.024 7.945 0.079 1
1 129 . 7 1 1 A 18 18 CYS CA C 18 58.412 59.693 -1.281 1
1 130 . 7 1 1 A 18 18 CYS HA H 18 5.148 4.491 0.657 1
1 131 . 7 1 1 A 18 18 CYS CB C 18 32.282 28.704 3.578 1
1 134 . 7 1 1 A 18 18 CYS C C 18 175.649 174.783 0.866 1
1 135 . 7 1 1 A 19 19 SER N N 19 115.473 113.146 2.327 1
1 136 . 7 1 1 A 19 19 SER H H 19 8.025 8.147 -0.122 1
1 137 . 7 1 1 A 19 19 SER CA C 19 61.107 59.457 1.650 1
1 138 . 7 1 1 A 19 19 SER HA H 19 4.344 4.580 -0.236 1
1 139 . 7 1 1 A 19 19 SER CB C 19 62.187 60.921 1.266 1
1 142 . 7 1 1 A 19 19 SER C C 19 173.220 172.492 0.728 1
1 143 . 7 1 1 A 20 20 LYS N N 20 123.593 120.096 3.497 1
1 144 . 7 1 1 A 20 20 LYS H H 20 8.026 7.779 0.247 1
1 145 . 7 1 1 A 20 20 LYS CA C 20 58.115 54.805 3.310 1
1 146 . 7 1 1 A 20 20 LYS HA H 20 4.007 4.676 -0.669 1
1 147 . 7 1 1 A 20 20 LYS CB C 20 33.813 34.691 -0.878 1
1 159 . 7 1 1 A 20 20 LYS C C 20 173.846 175.281 -1.435 1
1 160 . 7 1 1 A 21 21 ALA N N 21 124.213 128.689 -4.476 1
1 161 . 7 1 1 A 21 21 ALA H H 21 7.837 8.780 -0.943 1
1 162 . 7 1 1 A 21 21 ALA CA C 21 50.509 51.099 -0.590 1
1 163 . 7 1 1 A 21 21 ALA HA H 21 5.125 5.386 -0.261 1
1 164 . 7 1 1 A 21 21 ALA CB C 21 22.361 20.771 1.590 1
1 168 . 7 1 1 A 21 21 ALA C C 21 176.165 176.341 -0.176 1
1 169 . 7 1 1 A 22 22 PHE N N 22 116.773 117.574 -0.801 1
1 170 . 7 1 1 A 22 22 PHE H H 22 8.660 8.797 -0.137 1
1 171 . 7 1 1 A 22 22 PHE CA C 22 57.228 56.981 0.247 1
1 172 . 7 1 1 A 22 22 PHE HA H 22 4.872 5.073 -0.201 1
1 173 . 7 1 1 A 22 22 PHE CB C 22 43.970 43.981 -0.011 1
1 186 . 7 1 1 A 22 22 PHE C C 22 175.596 175.969 -0.373 1
1 187 . 7 1 1 A 23 23 THR N N 23 112.435 114.166 -1.731 1
1 188 . 7 1 1 A 23 23 THR H H 23 9.419 8.857 0.562 1
1 189 . 7 1 1 A 23 23 THR CA C 23 63.752 62.757 0.995 1
1 190 . 7 1 1 A 23 23 THR HA H 23 4.538 4.607 -0.069 1
1 191 . 7 1 1 A 23 23 THR CB C 23 69.791 69.595 0.196 1
1 197 . 7 1 1 A 23 23 THR C C 23 174.879 174.710 0.169 1
1 198 . 7 1 1 A 24 24 GLN N N 24 116.006 120.357 -4.351 1
1 199 . 7 1 1 A 24 24 GLN H H 24 7.257 8.008 -0.751 1
1 200 . 7 1 1 A 24 24 GLN CA C 24 53.833 54.300 -0.467 1
1 201 . 7 1 1 A 24 24 GLN HA H 24 4.721 4.622 0.099 1
1 202 . 7 1 1 A 24 24 GLN CB C 24 31.008 30.852 0.156 1
1 211 . 7 1 1 A 24 24 GLN C C 24 176.152 175.332 0.820 1
1 212 . 7 1 1 A 25 25 LYS N N 25 127.585 125.413 2.172 1
1 213 . 7 1 1 A 25 25 LYS H H 25 8.608 8.360 0.248 1
1 214 . 7 1 1 A 25 25 LYS CA C 25 59.831 59.638 0.193 1
1 215 . 7 1 1 A 25 25 LYS HA H 25 2.994 3.041 -0.047 1
1 216 . 7 1 1 A 25 25 LYS CB C 25 31.771 31.482 0.289 1
1 228 . 7 1 1 A 25 25 LYS C C 25 178.888 177.988 0.900 1
1 229 . 7 1 1 A 26 26 ALA CA C 26 54.777 55.028 -0.251 1
1 230 . 7 1 1 A 26 26 ALA HA H 26 4.073 3.966 0.107 1
1 231 . 7 1 1 A 26 26 ALA CB C 26 18.221 18.300 -0.079 1
1 235 . 7 1 1 A 26 26 ALA C C 26 180.193 179.414 0.779 1
1 236 . 7 1 1 A 27 27 HIS N N 27 115.655 115.762 -0.107 1
1 237 . 7 1 1 A 27 27 HIS H H 27 6.808 7.603 -0.795 1
1 238 . 7 1 1 A 27 27 HIS CA C 27 56.597 59.513 -2.916 1
1 239 . 7 1 1 A 27 27 HIS HA H 27 4.441 4.207 0.234 1
1 240 . 7 1 1 A 27 27 HIS CB C 27 31.644 30.293 1.351 1
1 247 . 7 1 1 A 27 27 HIS C C 27 178.584 177.584 1.000 1
1 248 . 7 1 1 A 28 28 LEU N N 28 121.599 120.965 0.634 1
1 249 . 7 1 1 A 28 28 LEU H H 28 7.008 7.874 -0.866 1
1 250 . 7 1 1 A 28 28 LEU CA C 28 57.764 57.712 0.052 1
1 251 . 7 1 1 A 28 28 LEU HA H 28 3.280 3.015 0.265 1
1 252 . 7 1 1 A 28 28 LEU CB C 28 40.215 41.636 -1.421 1
1 265 . 7 1 1 A 28 28 LEU C C 28 177.435 177.816 -0.381 1
1 266 . 7 1 1 A 29 29 ALA N N 29 121.543 120.503 1.040 1
1 267 . 7 1 1 A 29 29 ALA H H 29 8.100 8.484 -0.384 1
1 268 . 7 1 1 A 29 29 ALA CA C 29 55.208 55.673 -0.465 1
1 269 . 7 1 1 A 29 29 ALA HA H 29 4.148 3.943 0.205 1
1 270 . 7 1 1 A 29 29 ALA CB C 29 17.731 18.254 -0.523 1
1 274 . 7 1 1 A 29 29 ALA C C 29 180.709 179.470 1.239 1
1 275 . 7 1 1 A 30 30 GLN N N 30 116.397 118.106 -1.709 1
1 276 . 7 1 1 A 30 30 GLN H H 30 7.564 7.848 -0.284 1
1 277 . 7 1 1 A 30 30 GLN CA C 30 58.469 58.351 0.118 1
1 278 . 7 1 1 A 30 30 GLN HA H 30 3.997 4.037 -0.040 1
1 279 . 7 1 1 A 30 30 GLN CB C 30 28.395 28.596 -0.201 1
1 288 . 7 1 1 A 30 30 GLN C C 30 178.538 177.932 0.606 1
1 289 . 7 1 1 A 31 31 HIS N N 31 119.006 119.618 -0.612 1
1 290 . 7 1 1 A 31 31 HIS H H 31 7.685 8.173 -0.488 1
1 291 . 7 1 1 A 31 31 HIS CA C 31 59.033 59.053 -0.020 1
1 292 . 7 1 1 A 31 31 HIS HA H 31 4.262 4.112 0.150 1
1 293 . 7 1 1 A 31 31 HIS CB C 31 28.627 29.964 -1.337 1
1 300 . 7 1 1 A 31 31 HIS C C 31 177.956 177.194 0.762 1
1 301 . 7 1 1 A 32 32 GLN N N 32 119.870 117.932 1.938 1
1 302 . 7 1 1 A 32 32 GLN H H 32 8.809 8.641 0.168 1
1 303 . 7 1 1 A 32 32 GLN CA C 32 59.611 58.698 0.913 1
1 304 . 7 1 1 A 32 32 GLN HA H 32 3.747 3.625 0.122 1
1 305 . 7 1 1 A 32 32 GLN CB C 32 28.255 28.195 0.060 1
1 314 . 7 1 1 A 32 32 GLN C C 32 177.728 177.939 -0.211 1
1 315 . 7 1 1 A 33 33 LYS N N 33 116.864 117.891 -1.027 1
1 316 . 7 1 1 A 33 33 LYS H H 33 7.108 7.481 -0.373 1
1 317 . 7 1 1 A 33 33 LYS CA C 33 58.613 58.906 -0.293 1
1 318 . 7 1 1 A 33 33 LYS HA H 33 4.149 4.063 0.086 1
1 319 . 7 1 1 A 33 33 LYS CB C 33 32.203 32.386 -0.183 1
1 331 . 7 1 1 A 33 33 LYS C C 33 178.099 178.919 -0.820 1
1 332 . 7 1 1 A 34 34 THR N N 34 109.562 114.839 -5.277 1
1 333 . 7 1 1 A 34 34 THR H H 34 7.736 8.307 -0.571 1
1 334 . 7 1 1 A 34 34 THR CA C 34 63.792 65.123 -1.331 1
1 335 . 7 1 1 A 34 34 THR HA H 34 4.131 3.985 0.146 1
1 336 . 7 1 1 A 34 34 THR CB C 34 69.387 68.673 0.714 1
1 342 . 7 1 1 A 34 34 THR C C 34 175.335 175.087 0.248 1
1 343 . 7 1 1 A 35 35 HIS N N 35 118.240 119.652 -1.412 1
1 344 . 7 1 1 A 35 35 HIS H H 35 7.156 7.219 -0.063 1
1 345 . 7 1 1 A 35 35 HIS CA C 35 55.103 57.682 -2.579 1
1 346 . 7 1 1 A 35 35 HIS HA H 35 4.972 4.401 0.571 1
1 347 . 7 1 1 A 35 35 HIS CB C 35 28.657 29.908 -1.251 1
1 354 . 7 1 1 A 35 35 HIS C C 35 175.393 175.333 0.060 1
1 355 . 7 1 1 A 36 36 THR N N 36 113.040 119.445 -6.405 1
1 356 . 7 1 1 A 36 36 THR H H 36 7.839 8.990 -1.151 1
1 357 . 7 1 1 A 36 36 THR CA C 36 61.871 60.217 1.654 1
1 358 . 7 1 1 A 36 36 THR HA H 36 4.369 5.116 -0.747 1
1 359 . 7 1 1 A 36 36 THR CB C 36 69.836 71.251 -1.415 1
1 365 . 7 1 1 A 36 36 THR C C 36 175.280 174.367 0.913 1
1 366 . 7 1 1 A 37 37 GLY CA C 37 45.249 46.117 -0.868 1
1 367 . 7 1 1 A 37 37 GLY HA2 H 37 4.008 4.023 -0.015 1
1 368 . 7 1 1 A 37 37 GLY HA3 H 37 4.008 4.031 -0.023 1
1 369 . 7 1 1 A 37 37 GLY C C 37 174.005 174.929 -0.924 1
1 370 . 7 1 1 A 38 38 GLU N N 38 120.596 114.988 5.608 1
1 371 . 7 1 1 A 38 38 GLU H H 38 8.130 8.029 0.101 1
1 372 . 7 1 1 A 38 38 GLU CA C 38 56.422 57.748 -1.326 1
1 373 . 7 1 1 A 38 38 GLU HA H 38 4.265 3.905 0.360 1
1 374 . 7 1 1 A 38 38 GLU CB C 38 30.578 27.105 3.473 1
1 380 . 7 1 1 A 38 38 GLU C C 38 176.250 174.890 1.360 1
1 381 . 7 1 1 A 39 39 LYS N N 39 123.746 114.405 9.341 1
1 382 . 7 1 1 A 39 39 LYS H H 39 8.424 7.398 1.026 1
1 383 . 7 1 1 A 39 39 LYS CA C 39 54.157 54.419 -0.262 1
1 384 . 7 1 1 A 39 39 LYS HA H 39 4.612 4.742 -0.130 1
1 385 . 7 1 1 A 39 39 LYS CB C 39 32.575 34.210 -1.635 1
1 395 . 7 1 1 A 39 39 LYS C C 39 174.466 173.580 0.886 1
1 396 . 7 1 1 A 40 40 PRO CA C 40 63.253 62.236 1.017 1
1 397 . 7 1 1 A 40 40 PRO HA H 40 4.480 4.740 -0.260 1
1 398 . 7 1 1 A 40 40 PRO CB C 40 32.250 29.219 3.031 1
1 406 . 7 1 1 A 42 42 GLY N N 42 110.630 115.209 -4.579 1
1 407 . 7 1 1 A 42 42 GLY H H 42 8.218 8.196 0.022 1
1 408 . 7 1 1 A 42 42 GLY CA C 42 44.674 44.987 -0.313 1
1 409 . 7 1 1 A 42 42 GLY HA2 H 42 4.116 4.114 0.002 1
1 410 . 7 1 1 A 42 42 GLY HA3 H 42 4.165 4.115 0.050 1
1 411 . 7 1 1 A 43 43 PRO CA C 43 63.242 63.883 -0.641 1
1 412 . 7 1 1 A 43 43 PRO HA H 43 4.487 4.525 -0.038 1
1 413 . 7 1 1 A 43 43 PRO CB C 43 32.343 32.047 0.296 1
1 420 . 7 1 1 A 44 44 SER N N 44 116.476 111.299 5.177 1
1 421 . 7 1 1 A 44 44 SER H H 44 8.466 8.103 0.363 1
1 422 . 7 1 1 A 44 44 SER CA C 44 58.347 57.926 0.421 1
1 423 . 7 1 1 A 44 44 SER HA H 44 4.479 4.414 0.065 1
1 424 . 7 1 1 A 44 44 SER CB C 44 64.148 62.390 1.758 1
1 426 . 7 1 1 A 45 45 SER CA C 45 58.438 56.977 1.461 1
1 427 . 7 1 1 A 45 45 SER HA H 45 4.493 5.258 -0.765 1
1 428 . 7 1 1 A 45 45 SER CB C 45 63.960 65.643 -1.683 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.478 46.926 -1.448 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.042 3.896 0.146 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.042 3.897 0.145 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.517 174.599 -0.082 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.852 115.093 -2.241 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.150 7.913 0.237 1
1 7 . 8 1 1 A 8 8 THR CA C 8 62.463 64.660 -2.197 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.364 4.198 0.166 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.776 69.801 -0.025 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.241 175.509 -0.268 1
1 16 . 8 1 1 A 9 9 GLY N N 9 111.036 107.828 3.208 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.423 8.087 0.336 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.273 47.205 -1.932 1
1 19 . 8 1 1 A 9 9 GLY HA2 H 9 3.918 3.907 0.011 1
1 20 . 8 1 1 A 9 9 GLY HA3 H 9 3.965 3.907 0.058 1
1 21 . 8 1 1 A 9 9 GLY C C 9 174.013 173.797 0.216 1
1 22 . 8 1 1 A 10 10 GLU N N 10 120.348 119.925 0.423 1
1 23 . 8 1 1 A 10 10 GLU H H 10 8.209 8.067 0.142 1
1 24 . 8 1 1 A 10 10 GLU CA C 10 56.820 55.378 1.442 1
1 25 . 8 1 1 A 10 10 GLU HA H 10 4.193 5.140 -0.947 1
1 26 . 8 1 1 A 10 10 GLU CB C 10 30.457 31.368 -0.911 1
1 32 . 8 1 1 A 10 10 GLU C C 10 176.284 175.587 0.697 1
1 33 . 8 1 1 A 11 11 LYS N N 11 121.889 123.749 -1.860 1
1 34 . 8 1 1 A 11 11 LYS H H 11 8.297 8.266 0.031 1
1 35 . 8 1 1 A 11 11 LYS CA C 11 53.828 53.144 0.684 1
1 36 . 8 1 1 A 11 11 LYS HA H 11 4.504 4.799 -0.295 1
1 37 . 8 1 1 A 11 11 LYS CB C 11 32.938 34.607 -1.669 1
1 48 . 8 1 1 A 12 12 PRO CA C 12 63.404 64.187 -0.783 1
1 49 . 8 1 1 A 12 12 PRO HA H 12 4.258 4.280 -0.022 1
1 50 . 8 1 1 A 12 12 PRO CB C 12 32.224 31.546 0.678 1
1 59 . 8 1 1 A 12 12 PRO C C 12 176.340 175.740 0.600 1
1 60 . 8 1 1 A 13 13 TYR N N 13 118.367 117.955 0.412 1
1 61 . 8 1 1 A 13 13 TYR H H 13 7.933 7.494 0.439 1
1 62 . 8 1 1 A 13 13 TYR CA C 13 57.250 56.922 0.328 1
1 63 . 8 1 1 A 13 13 TYR HA H 13 4.664 5.430 -0.766 1
1 64 . 8 1 1 A 13 13 TYR CB C 13 38.486 41.522 -3.036 1
1 75 . 8 1 1 A 13 13 TYR C C 13 174.622 174.276 0.346 1
1 76 . 8 1 1 A 14 14 GLU N N 14 124.142 124.617 -0.475 1
1 77 . 8 1 1 A 14 14 GLU H H 14 8.524 9.000 -0.476 1
1 78 . 8 1 1 A 14 14 GLU CA C 14 55.138 55.141 -0.003 1
1 79 . 8 1 1 A 14 14 GLU HA H 14 4.883 5.180 -0.297 1
1 80 . 8 1 1 A 14 14 GLU CB C 14 32.979 33.649 -0.670 1
1 86 . 8 1 1 A 14 14 GLU C C 14 175.112 175.207 -0.095 1
1 87 . 8 1 1 A 15 15 CYS N N 15 126.468 125.633 0.835 1
1 88 . 8 1 1 A 15 15 CYS H H 15 9.176 9.287 -0.111 1
1 89 . 8 1 1 A 15 15 CYS CA C 15 59.621 59.462 0.159 1
1 90 . 8 1 1 A 15 15 CYS HA H 15 4.549 4.752 -0.203 1
1 91 . 8 1 1 A 15 15 CYS CB C 15 29.673 28.928 0.745 1
1 94 . 8 1 1 A 15 15 CYS C C 15 177.028 174.596 2.432 1
1 95 . 8 1 1 A 16 16 LYS N N 16 130.332 125.315 5.017 1
1 96 . 8 1 1 A 16 16 LYS H H 16 9.220 8.874 0.346 1
1 97 . 8 1 1 A 16 16 LYS CA C 16 57.744 57.547 0.197 1
1 98 . 8 1 1 A 16 16 LYS HA H 16 4.284 4.441 -0.157 1
1 99 . 8 1 1 A 16 16 LYS CB C 16 32.162 33.745 -1.583 1
1 111 . 8 1 1 A 16 16 LYS C C 16 177.052 179.072 -2.020 1
1 112 . 8 1 1 A 17 17 VAL N N 17 121.440 119.732 1.708 1
1 113 . 8 1 1 A 17 17 VAL H H 17 8.817 7.427 1.390 1
1 114 . 8 1 1 A 17 17 VAL CA C 17 65.126 66.705 -1.579 1
1 115 . 8 1 1 A 17 17 VAL HA H 17 3.787 3.424 0.363 1
1 116 . 8 1 1 A 17 17 VAL CB C 17 32.790 31.372 1.418 1
1 126 . 8 1 1 A 17 17 VAL C C 17 177.095 177.245 -0.150 1
1 127 . 8 1 1 A 18 18 CYS N N 18 116.697 115.221 1.476 1
1 128 . 8 1 1 A 18 18 CYS H H 18 8.024 8.001 0.023 1
1 129 . 8 1 1 A 18 18 CYS CA C 18 58.412 58.121 0.291 1
1 130 . 8 1 1 A 18 18 CYS HA H 18 5.148 4.541 0.607 1
1 131 . 8 1 1 A 18 18 CYS CB C 18 32.282 26.788 5.494 1
1 134 . 8 1 1 A 18 18 CYS C C 18 175.649 175.318 0.331 1
1 135 . 8 1 1 A 19 19 SER N N 19 115.473 114.988 0.485 1
1 136 . 8 1 1 A 19 19 SER H H 19 8.025 8.203 -0.178 1
1 137 . 8 1 1 A 19 19 SER CA C 19 61.107 59.160 1.947 1
1 138 . 8 1 1 A 19 19 SER HA H 19 4.344 4.538 -0.194 1
1 139 . 8 1 1 A 19 19 SER CB C 19 62.187 61.085 1.102 1
1 142 . 8 1 1 A 19 19 SER C C 19 173.220 174.167 -0.947 1
1 143 . 8 1 1 A 20 20 LYS N N 20 123.593 123.337 0.256 1
1 144 . 8 1 1 A 20 20 LYS H H 20 8.026 7.876 0.150 1
1 145 . 8 1 1 A 20 20 LYS CA C 20 58.115 56.073 2.042 1
1 146 . 8 1 1 A 20 20 LYS HA H 20 4.007 4.194 -0.187 1
1 147 . 8 1 1 A 20 20 LYS CB C 20 33.813 33.539 0.274 1
1 159 . 8 1 1 A 20 20 LYS C C 20 173.846 175.175 -1.329 1
1 160 . 8 1 1 A 21 21 ALA N N 21 124.213 125.320 -1.107 1
1 161 . 8 1 1 A 21 21 ALA H H 21 7.837 7.961 -0.124 1
1 162 . 8 1 1 A 21 21 ALA CA C 21 50.509 50.300 0.209 1
1 163 . 8 1 1 A 21 21 ALA HA H 21 5.125 5.011 0.114 1
1 164 . 8 1 1 A 21 21 ALA CB C 21 22.361 22.142 0.219 1
1 168 . 8 1 1 A 21 21 ALA C C 21 176.165 175.088 1.077 1
1 169 . 8 1 1 A 22 22 PHE N N 22 116.773 118.407 -1.634 1
1 170 . 8 1 1 A 22 22 PHE H H 22 8.660 8.576 0.084 1
1 171 . 8 1 1 A 22 22 PHE CA C 22 57.228 56.597 0.631 1
1 172 . 8 1 1 A 22 22 PHE HA H 22 4.872 4.819 0.053 1
1 173 . 8 1 1 A 22 22 PHE CB C 22 43.970 42.990 0.980 1
1 186 . 8 1 1 A 22 22 PHE C C 22 175.596 175.938 -0.342 1
1 187 . 8 1 1 A 23 23 THR N N 23 112.435 117.170 -4.735 1
1 188 . 8 1 1 A 23 23 THR H H 23 9.419 8.677 0.742 1
1 189 . 8 1 1 A 23 23 THR CA C 23 63.752 64.432 -0.680 1
1 190 . 8 1 1 A 23 23 THR HA H 23 4.538 4.335 0.203 1
1 191 . 8 1 1 A 23 23 THR CB C 23 69.791 70.028 -0.237 1
1 197 . 8 1 1 A 23 23 THR C C 23 174.879 174.213 0.666 1
1 198 . 8 1 1 A 24 24 GLN N N 24 116.006 117.683 -1.677 1
1 199 . 8 1 1 A 24 24 GLN H H 24 7.257 7.991 -0.734 1
1 200 . 8 1 1 A 24 24 GLN CA C 24 53.833 54.446 -0.613 1
1 201 . 8 1 1 A 24 24 GLN HA H 24 4.721 4.736 -0.015 1
1 202 . 8 1 1 A 24 24 GLN CB C 24 31.008 31.838 -0.830 1
1 211 . 8 1 1 A 24 24 GLN C C 24 176.152 176.132 0.020 1
1 212 . 8 1 1 A 25 25 LYS N N 25 127.585 121.570 6.015 1
1 213 . 8 1 1 A 25 25 LYS H H 25 8.608 8.402 0.206 1
1 214 . 8 1 1 A 25 25 LYS CA C 25 59.831 58.651 1.180 1
1 215 . 8 1 1 A 25 25 LYS HA H 25 2.994 3.199 -0.205 1
1 216 . 8 1 1 A 25 25 LYS CB C 25 31.771 31.717 0.054 1
1 228 . 8 1 1 A 25 25 LYS C C 25 178.888 178.322 0.566 1
1 229 . 8 1 1 A 26 26 ALA CA C 26 54.777 54.977 -0.200 1
1 230 . 8 1 1 A 26 26 ALA HA H 26 4.073 3.935 0.138 1
1 231 . 8 1 1 A 26 26 ALA CB C 26 18.221 18.375 -0.154 1
1 235 . 8 1 1 A 26 26 ALA C C 26 180.193 179.150 1.043 1
1 236 . 8 1 1 A 27 27 HIS N N 27 115.655 115.788 -0.133 1
1 237 . 8 1 1 A 27 27 HIS H H 27 6.808 7.745 -0.937 1
1 238 . 8 1 1 A 27 27 HIS CA C 27 56.597 59.548 -2.951 1
1 239 . 8 1 1 A 27 27 HIS HA H 27 4.441 4.212 0.229 1
1 240 . 8 1 1 A 27 27 HIS CB C 27 31.644 29.972 1.672 1
1 247 . 8 1 1 A 27 27 HIS C C 27 178.584 177.231 1.353 1
1 248 . 8 1 1 A 28 28 LEU N N 28 121.599 120.673 0.926 1
1 249 . 8 1 1 A 28 28 LEU H H 28 7.008 7.404 -0.396 1
1 250 . 8 1 1 A 28 28 LEU CA C 28 57.764 57.690 0.074 1
1 251 . 8 1 1 A 28 28 LEU HA H 28 3.280 2.916 0.364 1
1 252 . 8 1 1 A 28 28 LEU CB C 28 40.215 41.706 -1.491 1
1 265 . 8 1 1 A 28 28 LEU C C 28 177.435 177.884 -0.449 1
1 266 . 8 1 1 A 29 29 ALA N N 29 121.543 120.116 1.427 1
1 267 . 8 1 1 A 29 29 ALA H H 29 8.100 8.640 -0.540 1
1 268 . 8 1 1 A 29 29 ALA CA C 29 55.208 55.431 -0.223 1
1 269 . 8 1 1 A 29 29 ALA HA H 29 4.148 3.970 0.178 1
1 270 . 8 1 1 A 29 29 ALA CB C 29 17.731 18.474 -0.743 1
1 274 . 8 1 1 A 29 29 ALA C C 29 180.709 179.179 1.530 1
1 275 . 8 1 1 A 30 30 GLN N N 30 116.397 117.821 -1.424 1
1 276 . 8 1 1 A 30 30 GLN H H 30 7.564 7.673 -0.109 1
1 277 . 8 1 1 A 30 30 GLN CA C 30 58.469 58.761 -0.292 1
1 278 . 8 1 1 A 30 30 GLN HA H 30 3.997 4.019 -0.022 1
1 279 . 8 1 1 A 30 30 GLN CB C 30 28.395 28.376 0.019 1
1 288 . 8 1 1 A 30 30 GLN C C 30 178.538 177.856 0.682 1
1 289 . 8 1 1 A 31 31 HIS N N 31 119.006 119.619 -0.613 1
1 290 . 8 1 1 A 31 31 HIS H H 31 7.685 8.179 -0.494 1
1 291 . 8 1 1 A 31 31 HIS CA C 31 59.033 59.846 -0.813 1
1 292 . 8 1 1 A 31 31 HIS HA H 31 4.262 4.159 0.103 1
1 293 . 8 1 1 A 31 31 HIS CB C 31 28.627 29.949 -1.322 1
1 300 . 8 1 1 A 31 31 HIS C C 31 177.956 176.556 1.400 1
1 301 . 8 1 1 A 32 32 GLN N N 32 119.870 116.966 2.904 1
1 302 . 8 1 1 A 32 32 GLN H H 32 8.809 8.509 0.300 1
1 303 . 8 1 1 A 32 32 GLN CA C 32 59.611 58.952 0.659 1
1 304 . 8 1 1 A 32 32 GLN HA H 32 3.747 3.655 0.092 1
1 305 . 8 1 1 A 32 32 GLN CB C 32 28.255 28.351 -0.096 1
1 314 . 8 1 1 A 32 32 GLN C C 32 177.728 178.373 -0.645 1
1 315 . 8 1 1 A 33 33 LYS N N 33 116.864 119.865 -3.001 1
1 316 . 8 1 1 A 33 33 LYS H H 33 7.108 7.712 -0.604 1
1 317 . 8 1 1 A 33 33 LYS CA C 33 58.613 59.173 -0.560 1
1 318 . 8 1 1 A 33 33 LYS HA H 33 4.149 3.948 0.201 1
1 319 . 8 1 1 A 33 33 LYS CB C 33 32.203 32.185 0.018 1
1 331 . 8 1 1 A 33 33 LYS C C 33 178.099 179.027 -0.928 1
1 332 . 8 1 1 A 34 34 THR N N 34 109.562 115.264 -5.702 1
1 333 . 8 1 1 A 34 34 THR H H 34 7.736 8.232 -0.496 1
1 334 . 8 1 1 A 34 34 THR CA C 34 63.792 64.695 -0.903 1
1 335 . 8 1 1 A 34 34 THR HA H 34 4.131 3.929 0.202 1
1 336 . 8 1 1 A 34 34 THR CB C 34 69.387 68.945 0.442 1
1 342 . 8 1 1 A 34 34 THR C C 34 175.335 174.946 0.389 1
1 343 . 8 1 1 A 35 35 HIS N N 35 118.240 119.415 -1.175 1
1 344 . 8 1 1 A 35 35 HIS H H 35 7.156 7.774 -0.618 1
1 345 . 8 1 1 A 35 35 HIS CA C 35 55.103 55.884 -0.781 1
1 346 . 8 1 1 A 35 35 HIS HA H 35 4.972 4.553 0.419 1
1 347 . 8 1 1 A 35 35 HIS CB C 35 28.657 29.540 -0.883 1
1 354 . 8 1 1 A 35 35 HIS C C 35 175.393 175.020 0.373 1
1 355 . 8 1 1 A 36 36 THR N N 36 113.040 117.552 -4.512 1
1 356 . 8 1 1 A 36 36 THR H H 36 7.839 8.883 -1.044 1
1 357 . 8 1 1 A 36 36 THR CA C 36 61.871 61.844 0.027 1
1 358 . 8 1 1 A 36 36 THR HA H 36 4.369 4.264 0.105 1
1 359 . 8 1 1 A 36 36 THR CB C 36 69.836 70.288 -0.452 1
1 365 . 8 1 1 A 36 36 THR C C 36 175.280 174.416 0.864 1
1 366 . 8 1 1 A 37 37 GLY CA C 37 45.249 45.507 -0.258 1
1 367 . 8 1 1 A 37 37 GLY HA2 H 37 4.008 4.035 -0.027 1
1 368 . 8 1 1 A 37 37 GLY HA3 H 37 4.008 4.036 -0.028 1
1 369 . 8 1 1 A 37 37 GLY C C 37 174.005 174.599 -0.594 1
1 370 . 8 1 1 A 38 38 GLU N N 38 120.596 121.829 -1.233 1
1 371 . 8 1 1 A 38 38 GLU H H 38 8.130 7.913 0.217 1
1 372 . 8 1 1 A 38 38 GLU CA C 38 56.422 57.233 -0.811 1
1 373 . 8 1 1 A 38 38 GLU HA H 38 4.265 4.212 0.053 1
1 374 . 8 1 1 A 38 38 GLU CB C 38 30.578 30.042 0.536 1
1 380 . 8 1 1 A 38 38 GLU C C 38 176.250 175.864 0.386 1
1 381 . 8 1 1 A 39 39 LYS N N 39 123.746 126.845 -3.099 1
1 382 . 8 1 1 A 39 39 LYS H H 39 8.424 8.117 0.307 1
1 383 . 8 1 1 A 39 39 LYS CA C 39 54.157 52.943 1.214 1
1 384 . 8 1 1 A 39 39 LYS HA H 39 4.612 4.784 -0.172 1
1 385 . 8 1 1 A 39 39 LYS CB C 39 32.575 35.270 -2.695 1
1 395 . 8 1 1 A 39 39 LYS C C 39 174.466 175.782 -1.316 1
1 396 . 8 1 1 A 40 40 PRO CA C 40 63.253 65.108 -1.855 1
1 397 . 8 1 1 A 40 40 PRO HA H 40 4.480 4.323 0.157 1
1 398 . 8 1 1 A 40 40 PRO CB C 40 32.250 31.928 0.322 1
1 406 . 8 1 1 A 42 42 GLY N N 42 110.630 108.932 1.698 1
1 407 . 8 1 1 A 42 42 GLY H H 42 8.218 7.904 0.314 1
1 408 . 8 1 1 A 42 42 GLY CA C 42 44.674 44.937 -0.263 1
1 409 . 8 1 1 A 42 42 GLY HA2 H 42 4.116 4.084 0.032 1
1 410 . 8 1 1 A 42 42 GLY HA3 H 42 4.165 4.084 0.081 1
1 411 . 8 1 1 A 43 43 PRO CA C 43 63.242 64.689 -1.447 1
1 412 . 8 1 1 A 43 43 PRO HA H 43 4.487 4.430 0.057 1
1 413 . 8 1 1 A 43 43 PRO CB C 43 32.343 32.179 0.164 1
1 420 . 8 1 1 A 44 44 SER N N 44 116.476 112.208 4.268 1
1 421 . 8 1 1 A 44 44 SER H H 44 8.466 7.712 0.754 1
1 422 . 8 1 1 A 44 44 SER CA C 44 58.347 56.565 1.782 1
1 423 . 8 1 1 A 44 44 SER HA H 44 4.479 4.934 -0.455 1
1 424 . 8 1 1 A 44 44 SER CB C 44 64.148 65.734 -1.586 1
1 426 . 8 1 1 A 45 45 SER CA C 45 58.438 59.579 -1.141 1
1 427 . 8 1 1 A 45 45 SER HA H 45 4.493 4.495 -0.002 1
1 428 . 8 1 1 A 45 45 SER CB C 45 63.960 63.847 0.113 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.478 44.503 0.975 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.042 4.009 0.033 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.042 4.010 0.032 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.517 171.651 2.866 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.852 114.462 -1.610 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.150 8.170 -0.020 1
1 7 . 9 1 1 A 8 8 THR CA C 8 62.463 59.913 2.550 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.364 4.953 -0.589 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.776 71.440 -1.664 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.241 172.663 2.578 1
1 16 . 9 1 1 A 9 9 GLY N N 9 111.036 114.665 -3.629 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.423 8.642 -0.219 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.273 45.712 -0.439 1
1 19 . 9 1 1 A 9 9 GLY HA2 H 9 3.918 3.994 -0.076 1
1 20 . 9 1 1 A 9 9 GLY HA3 H 9 3.965 3.996 -0.031 1
1 21 . 9 1 1 A 9 9 GLY C C 9 174.013 172.987 1.026 1
1 22 . 9 1 1 A 10 10 GLU N N 10 120.348 123.098 -2.750 1
1 23 . 9 1 1 A 10 10 GLU H H 10 8.209 8.435 -0.226 1
1 24 . 9 1 1 A 10 10 GLU CA C 10 56.820 55.524 1.296 1
1 25 . 9 1 1 A 10 10 GLU HA H 10 4.193 4.662 -0.469 1
1 26 . 9 1 1 A 10 10 GLU CB C 10 30.457 31.713 -1.256 1
1 32 . 9 1 1 A 10 10 GLU C C 10 176.284 176.302 -0.018 1
1 33 . 9 1 1 A 11 11 LYS N N 11 121.889 122.689 -0.800 1
1 34 . 9 1 1 A 11 11 LYS H H 11 8.297 8.871 -0.574 1
1 35 . 9 1 1 A 11 11 LYS CA C 11 53.828 53.508 0.320 1
1 36 . 9 1 1 A 11 11 LYS HA H 11 4.504 4.654 -0.150 1
1 37 . 9 1 1 A 11 11 LYS CB C 11 32.938 32.252 0.686 1
1 48 . 9 1 1 A 12 12 PRO CA C 12 63.404 64.563 -1.159 1
1 49 . 9 1 1 A 12 12 PRO HA H 12 4.258 4.332 -0.074 1
1 50 . 9 1 1 A 12 12 PRO CB C 12 32.224 31.797 0.427 1
1 59 . 9 1 1 A 12 12 PRO C C 12 176.340 175.820 0.520 1
1 60 . 9 1 1 A 13 13 TYR N N 13 118.367 118.289 0.078 1
1 61 . 9 1 1 A 13 13 TYR H H 13 7.933 7.684 0.249 1
1 62 . 9 1 1 A 13 13 TYR CA C 13 57.250 57.231 0.019 1
1 63 . 9 1 1 A 13 13 TYR HA H 13 4.664 5.063 -0.399 1
1 64 . 9 1 1 A 13 13 TYR CB C 13 38.486 39.611 -1.125 1
1 75 . 9 1 1 A 13 13 TYR C C 13 174.622 174.757 -0.135 1
1 76 . 9 1 1 A 14 14 GLU N N 14 124.142 124.020 0.122 1
1 77 . 9 1 1 A 14 14 GLU H H 14 8.524 9.035 -0.511 1
1 78 . 9 1 1 A 14 14 GLU CA C 14 55.138 55.227 -0.089 1
1 79 . 9 1 1 A 14 14 GLU HA H 14 4.883 5.110 -0.227 1
1 80 . 9 1 1 A 14 14 GLU CB C 14 32.979 33.807 -0.828 1
1 86 . 9 1 1 A 14 14 GLU C C 14 175.112 174.597 0.515 1
1 87 . 9 1 1 A 15 15 CYS N N 15 126.468 124.596 1.872 1
1 88 . 9 1 1 A 15 15 CYS H H 15 9.176 9.256 -0.080 1
1 89 . 9 1 1 A 15 15 CYS CA C 15 59.621 58.709 0.912 1
1 90 . 9 1 1 A 15 15 CYS HA H 15 4.549 4.837 -0.288 1
1 91 . 9 1 1 A 15 15 CYS CB C 15 29.673 29.240 0.433 1
1 94 . 9 1 1 A 15 15 CYS C C 15 177.028 174.674 2.354 1
1 95 . 9 1 1 A 16 16 LYS N N 16 130.332 124.697 5.635 1
1 96 . 9 1 1 A 16 16 LYS H H 16 9.220 8.913 0.307 1
1 97 . 9 1 1 A 16 16 LYS CA C 16 57.744 56.995 0.749 1
1 98 . 9 1 1 A 16 16 LYS HA H 16 4.284 4.484 -0.200 1
1 99 . 9 1 1 A 16 16 LYS CB C 16 32.162 33.604 -1.442 1
1 111 . 9 1 1 A 16 16 LYS C C 16 177.052 178.510 -1.458 1
1 112 . 9 1 1 A 17 17 VAL N N 17 121.440 120.005 1.435 1
1 113 . 9 1 1 A 17 17 VAL H H 17 8.817 7.669 1.148 1
1 114 . 9 1 1 A 17 17 VAL CA C 17 65.126 66.248 -1.122 1
1 115 . 9 1 1 A 17 17 VAL HA H 17 3.787 3.426 0.361 1
1 116 . 9 1 1 A 17 17 VAL CB C 17 32.790 31.478 1.312 1
1 126 . 9 1 1 A 17 17 VAL C C 17 177.095 177.262 -0.167 1
1 127 . 9 1 1 A 18 18 CYS N N 18 116.697 115.339 1.358 1
1 128 . 9 1 1 A 18 18 CYS H H 18 8.024 7.804 0.220 1
1 129 . 9 1 1 A 18 18 CYS CA C 18 58.412 59.523 -1.111 1
1 130 . 9 1 1 A 18 18 CYS HA H 18 5.148 4.505 0.643 1
1 131 . 9 1 1 A 18 18 CYS CB C 18 32.282 29.130 3.152 1
1 134 . 9 1 1 A 18 18 CYS C C 18 175.649 174.782 0.867 1
1 135 . 9 1 1 A 19 19 SER N N 19 115.473 112.885 2.588 1
1 136 . 9 1 1 A 19 19 SER H H 19 8.025 8.074 -0.049 1
1 137 . 9 1 1 A 19 19 SER CA C 19 61.107 59.308 1.799 1
1 138 . 9 1 1 A 19 19 SER HA H 19 4.344 4.558 -0.214 1
1 139 . 9 1 1 A 19 19 SER CB C 19 62.187 60.796 1.391 1
1 142 . 9 1 1 A 19 19 SER C C 19 173.220 172.643 0.577 1
1 143 . 9 1 1 A 20 20 LYS N N 20 123.593 120.054 3.539 1
1 144 . 9 1 1 A 20 20 LYS H H 20 8.026 7.727 0.299 1
1 145 . 9 1 1 A 20 20 LYS CA C 20 58.115 54.707 3.408 1
1 146 . 9 1 1 A 20 20 LYS HA H 20 4.007 4.667 -0.660 1
1 147 . 9 1 1 A 20 20 LYS CB C 20 33.813 34.543 -0.730 1
1 159 . 9 1 1 A 20 20 LYS C C 20 173.846 174.899 -1.053 1
1 160 . 9 1 1 A 21 21 ALA N N 21 124.213 128.766 -4.553 1
1 161 . 9 1 1 A 21 21 ALA H H 21 7.837 8.847 -1.010 1
1 162 . 9 1 1 A 21 21 ALA CA C 21 50.509 50.539 -0.030 1
1 163 . 9 1 1 A 21 21 ALA HA H 21 5.125 5.354 -0.229 1
1 164 . 9 1 1 A 21 21 ALA CB C 21 22.361 20.791 1.570 1
1 168 . 9 1 1 A 21 21 ALA C C 21 176.165 176.459 -0.294 1
1 169 . 9 1 1 A 22 22 PHE N N 22 116.773 119.244 -2.471 1
1 170 . 9 1 1 A 22 22 PHE H H 22 8.660 9.349 -0.689 1
1 171 . 9 1 1 A 22 22 PHE CA C 22 57.228 56.541 0.687 1
1 172 . 9 1 1 A 22 22 PHE HA H 22 4.872 4.948 -0.076 1
1 173 . 9 1 1 A 22 22 PHE CB C 22 43.970 42.668 1.302 1
1 186 . 9 1 1 A 22 22 PHE C C 22 175.596 176.123 -0.527 1
1 187 . 9 1 1 A 23 23 THR N N 23 112.435 116.596 -4.161 1
1 188 . 9 1 1 A 23 23 THR H H 23 9.419 8.643 0.776 1
1 189 . 9 1 1 A 23 23 THR CA C 23 63.752 64.552 -0.800 1
1 190 . 9 1 1 A 23 23 THR HA H 23 4.538 4.268 0.270 1
1 191 . 9 1 1 A 23 23 THR CB C 23 69.791 69.827 -0.036 1
1 197 . 9 1 1 A 23 23 THR C C 23 174.879 173.910 0.969 1
1 198 . 9 1 1 A 24 24 GLN N N 24 116.006 117.510 -1.504 1
1 199 . 9 1 1 A 24 24 GLN H H 24 7.257 7.399 -0.142 1
1 200 . 9 1 1 A 24 24 GLN CA C 24 53.833 54.204 -0.371 1
1 201 . 9 1 1 A 24 24 GLN HA H 24 4.721 4.445 0.276 1
1 202 . 9 1 1 A 24 24 GLN CB C 24 31.008 31.199 -0.191 1
1 211 . 9 1 1 A 24 24 GLN C C 24 176.152 175.412 0.740 1
1 212 . 9 1 1 A 25 25 LYS N N 25 127.585 123.344 4.241 1
1 213 . 9 1 1 A 25 25 LYS H H 25 8.608 8.201 0.407 1
1 214 . 9 1 1 A 25 25 LYS CA C 25 59.831 59.184 0.647 1
1 215 . 9 1 1 A 25 25 LYS HA H 25 2.994 3.282 -0.288 1
1 216 . 9 1 1 A 25 25 LYS CB C 25 31.771 31.984 -0.213 1
1 228 . 9 1 1 A 25 25 LYS C C 25 178.888 178.085 0.803 1
1 229 . 9 1 1 A 26 26 ALA CA C 26 54.777 55.203 -0.426 1
1 230 . 9 1 1 A 26 26 ALA HA H 26 4.073 4.036 0.037 1
1 231 . 9 1 1 A 26 26 ALA CB C 26 18.221 18.489 -0.268 1
1 235 . 9 1 1 A 26 26 ALA C C 26 180.193 179.804 0.389 1
1 236 . 9 1 1 A 27 27 HIS N N 27 115.655 115.990 -0.335 1
1 237 . 9 1 1 A 27 27 HIS H H 27 6.808 8.195 -1.387 1
1 238 . 9 1 1 A 27 27 HIS CA C 27 56.597 59.266 -2.669 1
1 239 . 9 1 1 A 27 27 HIS HA H 27 4.441 4.291 0.150 1
1 240 . 9 1 1 A 27 27 HIS CB C 27 31.644 29.911 1.733 1
1 247 . 9 1 1 A 27 27 HIS C C 27 178.584 177.355 1.229 1
1 248 . 9 1 1 A 28 28 LEU N N 28 121.599 120.459 1.140 1
1 249 . 9 1 1 A 28 28 LEU H H 28 7.008 7.979 -0.971 1
1 250 . 9 1 1 A 28 28 LEU CA C 28 57.764 57.440 0.324 1
1 251 . 9 1 1 A 28 28 LEU HA H 28 3.280 3.101 0.179 1
1 252 . 9 1 1 A 28 28 LEU CB C 28 40.215 41.397 -1.182 1
1 265 . 9 1 1 A 28 28 LEU C C 28 177.435 177.849 -0.414 1
1 266 . 9 1 1 A 29 29 ALA N N 29 121.543 120.970 0.573 1
1 267 . 9 1 1 A 29 29 ALA H H 29 8.100 8.704 -0.604 1
1 268 . 9 1 1 A 29 29 ALA CA C 29 55.208 55.689 -0.481 1
1 269 . 9 1 1 A 29 29 ALA HA H 29 4.148 3.992 0.156 1
1 270 . 9 1 1 A 29 29 ALA CB C 29 17.731 18.344 -0.613 1
1 274 . 9 1 1 A 29 29 ALA C C 29 180.709 179.600 1.109 1
1 275 . 9 1 1 A 30 30 GLN N N 30 116.397 117.849 -1.452 1
1 276 . 9 1 1 A 30 30 GLN H H 30 7.564 8.012 -0.448 1
1 277 . 9 1 1 A 30 30 GLN CA C 30 58.469 58.800 -0.331 1
1 278 . 9 1 1 A 30 30 GLN HA H 30 3.997 4.013 -0.016 1
1 279 . 9 1 1 A 30 30 GLN CB C 30 28.395 28.258 0.137 1
1 288 . 9 1 1 A 30 30 GLN C C 30 178.538 178.103 0.435 1
1 289 . 9 1 1 A 31 31 HIS N N 31 119.006 119.638 -0.632 1
1 290 . 9 1 1 A 31 31 HIS H H 31 7.685 8.001 -0.316 1
1 291 . 9 1 1 A 31 31 HIS CA C 31 59.033 59.658 -0.625 1
1 292 . 9 1 1 A 31 31 HIS HA H 31 4.262 4.234 0.028 1
1 293 . 9 1 1 A 31 31 HIS CB C 31 28.627 29.916 -1.289 1
1 300 . 9 1 1 A 31 31 HIS C C 31 177.956 176.643 1.313 1
1 301 . 9 1 1 A 32 32 GLN N N 32 119.870 117.333 2.537 1
1 302 . 9 1 1 A 32 32 GLN H H 32 8.809 8.591 0.218 1
1 303 . 9 1 1 A 32 32 GLN CA C 32 59.611 59.171 0.440 1
1 304 . 9 1 1 A 32 32 GLN HA H 32 3.747 3.670 0.077 1
1 305 . 9 1 1 A 32 32 GLN CB C 32 28.255 28.215 0.040 1
1 314 . 9 1 1 A 32 32 GLN C C 32 177.728 178.450 -0.722 1
1 315 . 9 1 1 A 33 33 LYS N N 33 116.864 119.802 -2.938 1
1 316 . 9 1 1 A 33 33 LYS H H 33 7.108 8.013 -0.905 1
1 317 . 9 1 1 A 33 33 LYS CA C 33 58.613 58.913 -0.300 1
1 318 . 9 1 1 A 33 33 LYS HA H 33 4.149 3.948 0.201 1
1 319 . 9 1 1 A 33 33 LYS CB C 33 32.203 32.406 -0.203 1
1 331 . 9 1 1 A 33 33 LYS C C 33 178.099 178.936 -0.837 1
1 332 . 9 1 1 A 34 34 THR N N 34 109.562 112.290 -2.728 1
1 333 . 9 1 1 A 34 34 THR H H 34 7.736 8.106 -0.370 1
1 334 . 9 1 1 A 34 34 THR CA C 34 63.792 65.543 -1.751 1
1 335 . 9 1 1 A 34 34 THR HA H 34 4.131 3.926 0.205 1
1 336 . 9 1 1 A 34 34 THR CB C 34 69.387 67.881 1.506 1
1 342 . 9 1 1 A 34 34 THR C C 34 175.335 175.244 0.091 1
1 343 . 9 1 1 A 35 35 HIS N N 35 118.240 120.840 -2.600 1
1 344 . 9 1 1 A 35 35 HIS H H 35 7.156 7.007 0.149 1
1 345 . 9 1 1 A 35 35 HIS CA C 35 55.103 56.029 -0.926 1
1 346 . 9 1 1 A 35 35 HIS HA H 35 4.972 4.533 0.439 1
1 347 . 9 1 1 A 35 35 HIS CB C 35 28.657 31.131 -2.474 1
1 354 . 9 1 1 A 35 35 HIS C C 35 175.393 176.306 -0.913 1
1 355 . 9 1 1 A 36 36 THR N N 36 113.040 116.231 -3.191 1
1 356 . 9 1 1 A 36 36 THR H H 36 7.839 8.986 -1.147 1
1 357 . 9 1 1 A 36 36 THR CA C 36 61.871 62.911 -1.040 1
1 358 . 9 1 1 A 36 36 THR HA H 36 4.369 3.994 0.375 1
1 359 . 9 1 1 A 36 36 THR CB C 36 69.836 66.921 2.915 1
1 365 . 9 1 1 A 36 36 THR C C 36 175.280 174.819 0.461 1
1 366 . 9 1 1 A 37 37 GLY CA C 37 45.249 46.697 -1.448 1
1 367 . 9 1 1 A 37 37 GLY HA2 H 37 4.008 3.793 0.215 1
1 368 . 9 1 1 A 37 37 GLY HA3 H 37 4.008 3.795 0.213 1
1 369 . 9 1 1 A 37 37 GLY C C 37 174.005 175.264 -1.259 1
1 370 . 9 1 1 A 38 38 GLU N N 38 120.596 119.839 0.757 1
1 371 . 9 1 1 A 38 38 GLU H H 38 8.130 7.865 0.265 1
1 372 . 9 1 1 A 38 38 GLU CA C 38 56.422 57.500 -1.078 1
1 373 . 9 1 1 A 38 38 GLU HA H 38 4.265 4.293 -0.028 1
1 374 . 9 1 1 A 38 38 GLU CB C 38 30.578 30.085 0.493 1
1 380 . 9 1 1 A 38 38 GLU C C 38 176.250 176.107 0.143 1
1 381 . 9 1 1 A 39 39 LYS N N 39 123.746 123.345 0.401 1
1 382 . 9 1 1 A 39 39 LYS H H 39 8.424 8.565 -0.141 1
1 383 . 9 1 1 A 39 39 LYS CA C 39 54.157 53.159 0.998 1
1 384 . 9 1 1 A 39 39 LYS HA H 39 4.612 4.732 -0.120 1
1 385 . 9 1 1 A 39 39 LYS CB C 39 32.575 33.214 -0.639 1
1 395 . 9 1 1 A 39 39 LYS C C 39 174.466 174.223 0.243 1
1 396 . 9 1 1 A 40 40 PRO CA C 40 63.253 62.853 0.400 1
1 397 . 9 1 1 A 40 40 PRO HA H 40 4.480 4.768 -0.288 1
1 398 . 9 1 1 A 40 40 PRO CB C 40 32.250 31.691 0.559 1
1 406 . 9 1 1 A 42 42 GLY N N 42 110.630 108.583 2.047 1
1 407 . 9 1 1 A 42 42 GLY H H 42 8.218 8.034 0.184 1
1 408 . 9 1 1 A 42 42 GLY CA C 42 44.674 45.697 -1.023 1
1 409 . 9 1 1 A 42 42 GLY HA2 H 42 4.116 3.975 0.141 1
1 410 . 9 1 1 A 42 42 GLY HA3 H 42 4.165 3.975 0.190 1
1 411 . 9 1 1 A 43 43 PRO CA C 43 63.242 62.523 0.719 1
1 412 . 9 1 1 A 43 43 PRO HA H 43 4.487 4.601 -0.114 1
1 413 . 9 1 1 A 43 43 PRO CB C 43 32.343 30.851 1.492 1
1 420 . 9 1 1 A 44 44 SER N N 44 116.476 118.687 -2.211 1
1 421 . 9 1 1 A 44 44 SER H H 44 8.466 8.557 -0.091 1
1 422 . 9 1 1 A 44 44 SER CA C 44 58.347 59.028 -0.681 1
1 423 . 9 1 1 A 44 44 SER HA H 44 4.479 4.279 0.200 1
1 424 . 9 1 1 A 44 44 SER CB C 44 64.148 62.901 1.247 1
1 426 . 9 1 1 A 45 45 SER CA C 45 58.438 56.148 2.290 1
1 427 . 9 1 1 A 45 45 SER HA H 45 4.493 4.981 -0.488 1
1 428 . 9 1 1 A 45 45 SER CB C 45 63.960 66.064 -2.104 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.478 44.367 1.111 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.042 4.094 -0.052 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.042 4.096 -0.054 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.517 172.940 1.577 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.852 115.001 -2.149 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.150 8.427 -0.277 1
1 7 . 10 1 1 A 8 8 THR CA C 8 62.463 59.550 2.913 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.364 5.304 -0.940 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.776 71.636 -1.860 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.241 174.181 1.060 1
1 16 . 10 1 1 A 9 9 GLY N N 9 111.036 108.993 2.043 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.423 8.687 -0.264 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.273 45.342 -0.069 1
1 19 . 10 1 1 A 9 9 GLY HA2 H 9 3.918 4.187 -0.269 1
1 20 . 10 1 1 A 9 9 GLY HA3 H 9 3.965 4.194 -0.229 1
1 21 . 10 1 1 A 9 9 GLY C C 9 174.013 172.343 1.670 1
1 22 . 10 1 1 A 10 10 GLU N N 10 120.348 121.693 -1.345 1
1 23 . 10 1 1 A 10 10 GLU H H 10 8.209 8.860 -0.651 1
1 24 . 10 1 1 A 10 10 GLU CA C 10 56.820 55.033 1.787 1
1 25 . 10 1 1 A 10 10 GLU HA H 10 4.193 5.188 -0.995 1
1 26 . 10 1 1 A 10 10 GLU CB C 10 30.457 32.196 -1.739 1
1 32 . 10 1 1 A 10 10 GLU C C 10 176.284 174.855 1.429 1
1 33 . 10 1 1 A 11 11 LYS N N 11 121.889 120.875 1.014 1
1 34 . 10 1 1 A 11 11 LYS H H 11 8.297 8.656 -0.359 1
1 35 . 10 1 1 A 11 11 LYS CA C 11 53.828 54.606 -0.778 1
1 36 . 10 1 1 A 11 11 LYS HA H 11 4.504 4.904 -0.400 1
1 37 . 10 1 1 A 11 11 LYS CB C 11 32.938 35.729 -2.791 1
1 48 . 10 1 1 A 12 12 PRO CA C 12 63.404 64.184 -0.780 1
1 49 . 10 1 1 A 12 12 PRO HA H 12 4.258 4.375 -0.117 1
1 50 . 10 1 1 A 12 12 PRO CB C 12 32.224 31.514 0.710 1
1 59 . 10 1 1 A 12 12 PRO C C 12 176.340 175.698 0.642 1
1 60 . 10 1 1 A 13 13 TYR N N 13 118.367 118.958 -0.591 1
1 61 . 10 1 1 A 13 13 TYR H H 13 7.933 7.479 0.454 1
1 62 . 10 1 1 A 13 13 TYR CA C 13 57.250 57.090 0.160 1
1 63 . 10 1 1 A 13 13 TYR HA H 13 4.664 5.042 -0.378 1
1 64 . 10 1 1 A 13 13 TYR CB C 13 38.486 39.436 -0.950 1
1 75 . 10 1 1 A 13 13 TYR C C 13 174.622 174.739 -0.117 1
1 76 . 10 1 1 A 14 14 GLU N N 14 124.142 124.511 -0.369 1
1 77 . 10 1 1 A 14 14 GLU H H 14 8.524 9.009 -0.485 1
1 78 . 10 1 1 A 14 14 GLU CA C 14 55.138 55.232 -0.094 1
1 79 . 10 1 1 A 14 14 GLU HA H 14 4.883 5.056 -0.173 1
1 80 . 10 1 1 A 14 14 GLU CB C 14 32.979 33.662 -0.683 1
1 86 . 10 1 1 A 14 14 GLU C C 14 175.112 174.744 0.368 1
1 87 . 10 1 1 A 15 15 CYS N N 15 126.468 125.610 0.858 1
1 88 . 10 1 1 A 15 15 CYS H H 15 9.176 8.773 0.403 1
1 89 . 10 1 1 A 15 15 CYS CA C 15 59.621 58.575 1.046 1
1 90 . 10 1 1 A 15 15 CYS HA H 15 4.549 4.871 -0.322 1
1 91 . 10 1 1 A 15 15 CYS CB C 15 29.673 29.284 0.389 1
1 94 . 10 1 1 A 15 15 CYS C C 15 177.028 174.341 2.687 1
1 95 . 10 1 1 A 16 16 LYS N N 16 130.332 124.787 5.545 1
1 96 . 10 1 1 A 16 16 LYS H H 16 9.220 8.858 0.362 1
1 97 . 10 1 1 A 16 16 LYS CA C 16 57.744 57.303 0.441 1
1 98 . 10 1 1 A 16 16 LYS HA H 16 4.284 4.466 -0.182 1
1 99 . 10 1 1 A 16 16 LYS CB C 16 32.162 34.452 -2.290 1
1 111 . 10 1 1 A 16 16 LYS C C 16 177.052 178.832 -1.780 1
1 112 . 10 1 1 A 17 17 VAL N N 17 121.440 119.910 1.530 1
1 113 . 10 1 1 A 17 17 VAL H H 17 8.817 7.900 0.917 1
1 114 . 10 1 1 A 17 17 VAL CA C 17 65.126 66.324 -1.198 1
1 115 . 10 1 1 A 17 17 VAL HA H 17 3.787 3.483 0.304 1
1 116 . 10 1 1 A 17 17 VAL CB C 17 32.790 31.113 1.677 1
1 126 . 10 1 1 A 17 17 VAL C C 17 177.095 177.262 -0.167 1
1 127 . 10 1 1 A 18 18 CYS N N 18 116.697 115.909 0.788 1
1 128 . 10 1 1 A 18 18 CYS H H 18 8.024 7.974 0.050 1
1 129 . 10 1 1 A 18 18 CYS CA C 18 58.412 58.819 -0.407 1
1 130 . 10 1 1 A 18 18 CYS HA H 18 5.148 4.581 0.567 1
1 131 . 10 1 1 A 18 18 CYS CB C 18 32.282 30.049 2.233 1
1 134 . 10 1 1 A 18 18 CYS C C 18 175.649 175.356 0.293 1
1 135 . 10 1 1 A 19 19 SER N N 19 115.473 115.921 -0.448 1
1 136 . 10 1 1 A 19 19 SER H H 19 8.025 8.267 -0.242 1
1 137 . 10 1 1 A 19 19 SER CA C 19 61.107 59.441 1.666 1
1 138 . 10 1 1 A 19 19 SER HA H 19 4.344 4.473 -0.129 1
1 139 . 10 1 1 A 19 19 SER CB C 19 62.187 62.259 -0.072 1
1 142 . 10 1 1 A 19 19 SER C C 19 173.220 174.021 -0.801 1
1 143 . 10 1 1 A 20 20 LYS N N 20 123.593 121.589 2.004 1
1 144 . 10 1 1 A 20 20 LYS H H 20 8.026 7.410 0.616 1
1 145 . 10 1 1 A 20 20 LYS CA C 20 58.115 55.498 2.617 1
1 146 . 10 1 1 A 20 20 LYS HA H 20 4.007 4.436 -0.429 1
1 147 . 10 1 1 A 20 20 LYS CB C 20 33.813 33.732 0.081 1
1 159 . 10 1 1 A 20 20 LYS C C 20 173.846 175.314 -1.468 1
1 160 . 10 1 1 A 21 21 ALA N N 21 124.213 129.612 -5.399 1
1 161 . 10 1 1 A 21 21 ALA H H 21 7.837 8.601 -0.764 1
1 162 . 10 1 1 A 21 21 ALA CA C 21 50.509 51.176 -0.667 1
1 163 . 10 1 1 A 21 21 ALA HA H 21 5.125 4.926 0.199 1
1 164 . 10 1 1 A 21 21 ALA CB C 21 22.361 20.529 1.832 1
1 168 . 10 1 1 A 21 21 ALA C C 21 176.165 176.561 -0.396 1
1 169 . 10 1 1 A 22 22 PHE N N 22 116.773 116.960 -0.187 1
1 170 . 10 1 1 A 22 22 PHE H H 22 8.660 8.605 0.055 1
1 171 . 10 1 1 A 22 22 PHE CA C 22 57.228 56.845 0.383 1
1 172 . 10 1 1 A 22 22 PHE HA H 22 4.872 4.971 -0.099 1
1 173 . 10 1 1 A 22 22 PHE CB C 22 43.970 42.857 1.113 1
1 186 . 10 1 1 A 22 22 PHE C C 22 175.596 176.191 -0.595 1
1 187 . 10 1 1 A 23 23 THR N N 23 112.435 116.082 -3.647 1
1 188 . 10 1 1 A 23 23 THR H H 23 9.419 8.658 0.761 1
1 189 . 10 1 1 A 23 23 THR CA C 23 63.752 65.082 -1.330 1
1 190 . 10 1 1 A 23 23 THR HA H 23 4.538 4.251 0.287 1
1 191 . 10 1 1 A 23 23 THR CB C 23 69.791 68.868 0.923 1
1 197 . 10 1 1 A 23 23 THR C C 23 174.879 175.084 -0.205 1
1 198 . 10 1 1 A 24 24 GLN N N 24 116.006 120.683 -4.677 1
1 199 . 10 1 1 A 24 24 GLN H H 24 7.257 8.032 -0.775 1
1 200 . 10 1 1 A 24 24 GLN CA C 24 53.833 54.152 -0.319 1
1 201 . 10 1 1 A 24 24 GLN HA H 24 4.721 4.642 0.079 1
1 202 . 10 1 1 A 24 24 GLN CB C 24 31.008 31.097 -0.089 1
1 211 . 10 1 1 A 24 24 GLN C C 24 176.152 176.111 0.041 1
1 212 . 10 1 1 A 25 25 LYS N N 25 127.585 120.665 6.920 1
1 213 . 10 1 1 A 25 25 LYS H H 25 8.608 8.514 0.094 1
1 214 . 10 1 1 A 25 25 LYS CA C 25 59.831 58.550 1.281 1
1 215 . 10 1 1 A 25 25 LYS HA H 25 2.994 3.326 -0.332 1
1 216 . 10 1 1 A 25 25 LYS CB C 25 31.771 31.873 -0.102 1
1 228 . 10 1 1 A 25 25 LYS C C 25 178.888 178.773 0.115 1
1 229 . 10 1 1 A 26 26 ALA CA C 26 54.777 54.690 0.087 1
1 230 . 10 1 1 A 26 26 ALA HA H 26 4.073 3.976 0.097 1
1 231 . 10 1 1 A 26 26 ALA CB C 26 18.221 17.833 0.388 1
1 235 . 10 1 1 A 26 26 ALA C C 26 180.193 179.488 0.705 1
1 236 . 10 1 1 A 27 27 HIS N N 27 115.655 115.735 -0.080 1
1 237 . 10 1 1 A 27 27 HIS H H 27 6.808 7.462 -0.654 1
1 238 . 10 1 1 A 27 27 HIS CA C 27 56.597 59.374 -2.777 1
1 239 . 10 1 1 A 27 27 HIS HA H 27 4.441 4.227 0.214 1
1 240 . 10 1 1 A 27 27 HIS CB C 27 31.644 29.723 1.921 1
1 247 . 10 1 1 A 27 27 HIS C C 27 178.584 177.235 1.349 1
1 248 . 10 1 1 A 28 28 LEU N N 28 121.599 120.233 1.366 1
1 249 . 10 1 1 A 28 28 LEU H H 28 7.008 7.846 -0.838 1
1 250 . 10 1 1 A 28 28 LEU CA C 28 57.764 57.636 0.128 1
1 251 . 10 1 1 A 28 28 LEU HA H 28 3.280 2.799 0.481 1
1 252 . 10 1 1 A 28 28 LEU CB C 28 40.215 41.733 -1.518 1
1 265 . 10 1 1 A 28 28 LEU C C 28 177.435 177.798 -0.363 1
1 266 . 10 1 1 A 29 29 ALA N N 29 121.543 120.179 1.364 1
1 267 . 10 1 1 A 29 29 ALA H H 29 8.100 8.640 -0.540 1
1 268 . 10 1 1 A 29 29 ALA CA C 29 55.208 55.597 -0.389 1
1 269 . 10 1 1 A 29 29 ALA HA H 29 4.148 3.989 0.159 1
1 270 . 10 1 1 A 29 29 ALA CB C 29 17.731 18.472 -0.741 1
1 274 . 10 1 1 A 29 29 ALA C C 29 180.709 179.627 1.082 1
1 275 . 10 1 1 A 30 30 GLN N N 30 116.397 117.852 -1.455 1
1 276 . 10 1 1 A 30 30 GLN H H 30 7.564 7.621 -0.057 1
1 277 . 10 1 1 A 30 30 GLN CA C 30 58.469 58.763 -0.294 1
1 278 . 10 1 1 A 30 30 GLN HA H 30 3.997 3.996 0.001 1
1 279 . 10 1 1 A 30 30 GLN CB C 30 28.395 28.275 0.120 1
1 288 . 10 1 1 A 30 30 GLN C C 30 178.538 178.385 0.153 1
1 289 . 10 1 1 A 31 31 HIS N N 31 119.006 119.707 -0.701 1
1 290 . 10 1 1 A 31 31 HIS H H 31 7.685 8.052 -0.367 1
1 291 . 10 1 1 A 31 31 HIS CA C 31 59.033 59.718 -0.685 1
1 292 . 10 1 1 A 31 31 HIS HA H 31 4.262 4.159 0.103 1
1 293 . 10 1 1 A 31 31 HIS CB C 31 28.627 29.491 -0.864 1
1 300 . 10 1 1 A 31 31 HIS C C 31 177.956 176.985 0.971 1
1 301 . 10 1 1 A 32 32 GLN N N 32 119.870 117.268 2.602 1
1 302 . 10 1 1 A 32 32 GLN H H 32 8.809 8.460 0.349 1
1 303 . 10 1 1 A 32 32 GLN CA C 32 59.611 59.008 0.603 1
1 304 . 10 1 1 A 32 32 GLN HA H 32 3.747 3.643 0.104 1
1 305 . 10 1 1 A 32 32 GLN CB C 32 28.255 28.209 0.046 1
1 314 . 10 1 1 A 32 32 GLN C C 32 177.728 178.418 -0.690 1
1 315 . 10 1 1 A 33 33 LYS N N 33 116.864 120.231 -3.367 1
1 316 . 10 1 1 A 33 33 LYS H H 33 7.108 8.006 -0.898 1
1 317 . 10 1 1 A 33 33 LYS CA C 33 58.613 59.146 -0.533 1
1 318 . 10 1 1 A 33 33 LYS HA H 33 4.149 3.984 0.165 1
1 319 . 10 1 1 A 33 33 LYS CB C 33 32.203 32.301 -0.098 1
1 331 . 10 1 1 A 33 33 LYS C C 33 178.099 179.427 -1.328 1
1 332 . 10 1 1 A 34 34 THR N N 34 109.562 113.951 -4.389 1
1 333 . 10 1 1 A 34 34 THR H H 34 7.736 8.050 -0.314 1
1 334 . 10 1 1 A 34 34 THR CA C 34 63.792 64.867 -1.075 1
1 335 . 10 1 1 A 34 34 THR HA H 34 4.131 4.019 0.112 1
1 336 . 10 1 1 A 34 34 THR CB C 34 69.387 68.656 0.731 1
1 342 . 10 1 1 A 34 34 THR C C 34 175.335 176.281 -0.946 1
1 343 . 10 1 1 A 35 35 HIS N N 35 118.240 116.984 1.256 1
1 344 . 10 1 1 A 35 35 HIS H H 35 7.156 7.277 -0.121 1
1 345 . 10 1 1 A 35 35 HIS CA C 35 55.103 59.078 -3.975 1
1 346 . 10 1 1 A 35 35 HIS HA H 35 4.972 4.338 0.634 1
1 347 . 10 1 1 A 35 35 HIS CB C 35 28.657 30.934 -2.277 1
1 354 . 10 1 1 A 35 35 HIS C C 35 175.393 175.611 -0.218 1
1 355 . 10 1 1 A 36 36 THR N N 36 113.040 109.385 3.655 1
1 356 . 10 1 1 A 36 36 THR H H 36 7.839 7.929 -0.090 1
1 357 . 10 1 1 A 36 36 THR CA C 36 61.871 60.802 1.069 1
1 358 . 10 1 1 A 36 36 THR HA H 36 4.369 4.456 -0.087 1
1 359 . 10 1 1 A 36 36 THR CB C 36 69.836 69.905 -0.069 1
1 365 . 10 1 1 A 36 36 THR C C 36 175.280 173.991 1.289 1
1 366 . 10 1 1 A 37 37 GLY CA C 37 45.249 46.099 -0.850 1
1 367 . 10 1 1 A 37 37 GLY HA2 H 37 4.008 4.200 -0.192 1
1 368 . 10 1 1 A 37 37 GLY HA3 H 37 4.008 4.203 -0.195 1
1 369 . 10 1 1 A 37 37 GLY C C 37 174.005 172.647 1.358 1
1 370 . 10 1 1 A 38 38 GLU N N 38 120.596 122.156 -1.560 1
1 371 . 10 1 1 A 38 38 GLU H H 38 8.130 8.339 -0.209 1
1 372 . 10 1 1 A 38 38 GLU CA C 38 56.422 55.461 0.961 1
1 373 . 10 1 1 A 38 38 GLU HA H 38 4.265 4.415 -0.150 1
1 374 . 10 1 1 A 38 38 GLU CB C 38 30.578 30.467 0.111 1
1 380 . 10 1 1 A 38 38 GLU C C 38 176.250 176.232 0.018 1
1 381 . 10 1 1 A 39 39 LYS N N 39 123.746 122.169 1.577 1
1 382 . 10 1 1 A 39 39 LYS H H 39 8.424 7.977 0.447 1
1 383 . 10 1 1 A 39 39 LYS CA C 39 54.157 54.748 -0.591 1
1 384 . 10 1 1 A 39 39 LYS HA H 39 4.612 4.288 0.324 1
1 385 . 10 1 1 A 39 39 LYS CB C 39 32.575 33.265 -0.690 1
1 395 . 10 1 1 A 39 39 LYS C C 39 174.466 174.926 -0.460 1
1 396 . 10 1 1 A 40 40 PRO CA C 40 63.253 62.568 0.685 1
1 397 . 10 1 1 A 40 40 PRO HA H 40 4.480 4.762 -0.282 1
1 398 . 10 1 1 A 40 40 PRO CB C 40 32.250 31.314 0.936 1
1 406 . 10 1 1 A 42 42 GLY N N 42 110.630 114.130 -3.500 1
1 407 . 10 1 1 A 42 42 GLY H H 42 8.218 7.913 0.305 1
1 408 . 10 1 1 A 42 42 GLY CA C 42 44.674 45.309 -0.635 1
1 409 . 10 1 1 A 42 42 GLY HA2 H 42 4.116 4.182 -0.066 1
1 410 . 10 1 1 A 42 42 GLY HA3 H 42 4.165 4.199 -0.034 1
1 411 . 10 1 1 A 43 43 PRO CA C 43 63.242 62.841 0.401 1
1 412 . 10 1 1 A 43 43 PRO HA H 43 4.487 4.672 -0.185 1
1 413 . 10 1 1 A 43 43 PRO CB C 43 32.343 31.655 0.688 1
1 420 . 10 1 1 A 44 44 SER N N 44 116.476 120.487 -4.011 1
1 421 . 10 1 1 A 44 44 SER H H 44 8.466 8.630 -0.164 1
1 422 . 10 1 1 A 44 44 SER CA C 44 58.347 61.190 -2.843 1
1 423 . 10 1 1 A 44 44 SER HA H 44 4.479 4.146 0.333 1
1 424 . 10 1 1 A 44 44 SER CB C 44 64.148 63.078 1.070 1
1 426 . 10 1 1 A 45 45 SER CA C 45 58.438 57.060 1.378 1
1 427 . 10 1 1 A 45 45 SER HA H 45 4.493 5.029 -0.536 1
1 428 . 10 1 1 A 45 45 SER CB C 45 63.960 64.941 -0.981 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.478 44.305 1.173 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.042 4.144 -0.102 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.042 4.145 -0.103 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.517 171.754 2.763 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.852 114.929 -2.077 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.150 8.286 -0.136 1
1 7 . 11 1 1 A 8 8 THR CA C 8 62.463 59.531 2.932 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.364 5.154 -0.790 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.776 71.990 -2.214 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.241 172.803 2.438 1
1 16 . 11 1 1 A 9 9 GLY N N 9 111.036 113.942 -2.906 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.423 8.865 -0.442 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.273 44.957 0.316 1
1 19 . 11 1 1 A 9 9 GLY HA2 H 9 3.918 4.154 -0.236 1
1 20 . 11 1 1 A 9 9 GLY HA3 H 9 3.965 4.160 -0.195 1
1 21 . 11 1 1 A 9 9 GLY C C 9 174.013 172.616 1.397 1
1 22 . 11 1 1 A 10 10 GLU N N 10 120.348 122.719 -2.371 1
1 23 . 11 1 1 A 10 10 GLU H H 10 8.209 8.940 -0.731 1
1 24 . 11 1 1 A 10 10 GLU CA C 10 56.820 55.113 1.707 1
1 25 . 11 1 1 A 10 10 GLU HA H 10 4.193 5.094 -0.901 1
1 26 . 11 1 1 A 10 10 GLU CB C 10 30.457 32.735 -2.278 1
1 32 . 11 1 1 A 10 10 GLU C C 10 176.284 175.109 1.175 1
1 33 . 11 1 1 A 11 11 LYS N N 11 121.889 121.505 0.384 1
1 34 . 11 1 1 A 11 11 LYS H H 11 8.297 8.331 -0.034 1
1 35 . 11 1 1 A 11 11 LYS CA C 11 53.828 52.989 0.839 1
1 36 . 11 1 1 A 11 11 LYS HA H 11 4.504 4.844 -0.340 1
1 37 . 11 1 1 A 11 11 LYS CB C 11 32.938 34.891 -1.953 1
1 48 . 11 1 1 A 12 12 PRO CA C 12 63.404 64.394 -0.990 1
1 49 . 11 1 1 A 12 12 PRO HA H 12 4.258 4.300 -0.042 1
1 50 . 11 1 1 A 12 12 PRO CB C 12 32.224 31.795 0.429 1
1 59 . 11 1 1 A 12 12 PRO C C 12 176.340 175.896 0.444 1
1 60 . 11 1 1 A 13 13 TYR N N 13 118.367 118.353 0.014 1
1 61 . 11 1 1 A 13 13 TYR H H 13 7.933 7.565 0.368 1
1 62 . 11 1 1 A 13 13 TYR CA C 13 57.250 56.892 0.358 1
1 63 . 11 1 1 A 13 13 TYR HA H 13 4.664 5.113 -0.449 1
1 64 . 11 1 1 A 13 13 TYR CB C 13 38.486 39.807 -1.321 1
1 75 . 11 1 1 A 13 13 TYR C C 13 174.622 174.261 0.361 1
1 76 . 11 1 1 A 14 14 GLU N N 14 124.142 124.974 -0.832 1
1 77 . 11 1 1 A 14 14 GLU H H 14 8.524 9.131 -0.607 1
1 78 . 11 1 1 A 14 14 GLU CA C 14 55.138 54.902 0.236 1
1 79 . 11 1 1 A 14 14 GLU HA H 14 4.883 5.272 -0.389 1
1 80 . 11 1 1 A 14 14 GLU CB C 14 32.979 33.549 -0.570 1
1 86 . 11 1 1 A 14 14 GLU C C 14 175.112 174.883 0.229 1
1 87 . 11 1 1 A 15 15 CYS N N 15 126.468 124.931 1.537 1
1 88 . 11 1 1 A 15 15 CYS H H 15 9.176 9.078 0.098 1
1 89 . 11 1 1 A 15 15 CYS CA C 15 59.621 58.713 0.908 1
1 90 . 11 1 1 A 15 15 CYS HA H 15 4.549 4.881 -0.332 1
1 91 . 11 1 1 A 15 15 CYS CB C 15 29.673 29.252 0.421 1
1 94 . 11 1 1 A 15 15 CYS C C 15 177.028 174.792 2.236 1
1 95 . 11 1 1 A 16 16 LYS N N 16 130.332 124.835 5.497 1
1 96 . 11 1 1 A 16 16 LYS H H 16 9.220 8.973 0.247 1
1 97 . 11 1 1 A 16 16 LYS CA C 16 57.744 56.608 1.136 1
1 98 . 11 1 1 A 16 16 LYS HA H 16 4.284 4.525 -0.241 1
1 99 . 11 1 1 A 16 16 LYS CB C 16 32.162 33.353 -1.191 1
1 111 . 11 1 1 A 16 16 LYS C C 16 177.052 178.520 -1.468 1
1 112 . 11 1 1 A 17 17 VAL N N 17 121.440 119.293 2.147 1
1 113 . 11 1 1 A 17 17 VAL H H 17 8.817 7.860 0.957 1
1 114 . 11 1 1 A 17 17 VAL CA C 17 65.126 66.311 -1.185 1
1 115 . 11 1 1 A 17 17 VAL HA H 17 3.787 3.453 0.334 1
1 116 . 11 1 1 A 17 17 VAL CB C 17 32.790 31.492 1.298 1
1 126 . 11 1 1 A 17 17 VAL C C 17 177.095 177.315 -0.220 1
1 127 . 11 1 1 A 18 18 CYS N N 18 116.697 115.423 1.274 1
1 128 . 11 1 1 A 18 18 CYS H H 18 8.024 7.990 0.034 1
1 129 . 11 1 1 A 18 18 CYS CA C 18 58.412 58.264 0.148 1
1 130 . 11 1 1 A 18 18 CYS HA H 18 5.148 4.496 0.652 1
1 131 . 11 1 1 A 18 18 CYS CB C 18 32.282 26.836 5.446 1
1 134 . 11 1 1 A 18 18 CYS C C 18 175.649 175.323 0.326 1
1 135 . 11 1 1 A 19 19 SER N N 19 115.473 115.652 -0.179 1
1 136 . 11 1 1 A 19 19 SER H H 19 8.025 8.096 -0.071 1
1 137 . 11 1 1 A 19 19 SER CA C 19 61.107 59.152 1.955 1
1 138 . 11 1 1 A 19 19 SER HA H 19 4.344 4.505 -0.161 1
1 139 . 11 1 1 A 19 19 SER CB C 19 62.187 61.506 0.681 1
1 142 . 11 1 1 A 19 19 SER C C 19 173.220 174.245 -1.025 1
1 143 . 11 1 1 A 20 20 LYS N N 20 123.593 121.661 1.932 1
1 144 . 11 1 1 A 20 20 LYS H H 20 8.026 7.793 0.233 1
1 145 . 11 1 1 A 20 20 LYS CA C 20 58.115 55.915 2.200 1
1 146 . 11 1 1 A 20 20 LYS HA H 20 4.007 4.416 -0.409 1
1 147 . 11 1 1 A 20 20 LYS CB C 20 33.813 33.489 0.324 1
1 159 . 11 1 1 A 20 20 LYS C C 20 173.846 175.875 -2.029 1
1 160 . 11 1 1 A 21 21 ALA N N 21 124.213 129.362 -5.149 1
1 161 . 11 1 1 A 21 21 ALA H H 21 7.837 8.714 -0.877 1
1 162 . 11 1 1 A 21 21 ALA CA C 21 50.509 50.901 -0.392 1
1 163 . 11 1 1 A 21 21 ALA HA H 21 5.125 5.268 -0.143 1
1 164 . 11 1 1 A 21 21 ALA CB C 21 22.361 21.265 1.096 1
1 168 . 11 1 1 A 21 21 ALA C C 21 176.165 176.497 -0.332 1
1 169 . 11 1 1 A 22 22 PHE N N 22 116.773 117.726 -0.953 1
1 170 . 11 1 1 A 22 22 PHE H H 22 8.660 8.855 -0.195 1
1 171 . 11 1 1 A 22 22 PHE CA C 22 57.228 56.870 0.358 1
1 172 . 11 1 1 A 22 22 PHE HA H 22 4.872 4.943 -0.071 1
1 173 . 11 1 1 A 22 22 PHE CB C 22 43.970 43.289 0.681 1
1 186 . 11 1 1 A 22 22 PHE C C 22 175.596 175.921 -0.325 1
1 187 . 11 1 1 A 23 23 THR N N 23 112.435 114.100 -1.665 1
1 188 . 11 1 1 A 23 23 THR H H 23 9.419 8.921 0.498 1
1 189 . 11 1 1 A 23 23 THR CA C 23 63.752 62.921 0.831 1
1 190 . 11 1 1 A 23 23 THR HA H 23 4.538 4.573 -0.035 1
1 191 . 11 1 1 A 23 23 THR CB C 23 69.791 69.505 0.286 1
1 197 . 11 1 1 A 23 23 THR C C 23 174.879 174.890 -0.011 1
1 198 . 11 1 1 A 24 24 GLN N N 24 116.006 120.304 -4.298 1
1 199 . 11 1 1 A 24 24 GLN H H 24 7.257 8.117 -0.860 1
1 200 . 11 1 1 A 24 24 GLN CA C 24 53.833 54.455 -0.622 1
1 201 . 11 1 1 A 24 24 GLN HA H 24 4.721 4.730 -0.009 1
1 202 . 11 1 1 A 24 24 GLN CB C 24 31.008 31.054 -0.046 1
1 211 . 11 1 1 A 24 24 GLN C C 24 176.152 175.503 0.649 1
1 212 . 11 1 1 A 25 25 LYS N N 25 127.585 125.367 2.218 1
1 213 . 11 1 1 A 25 25 LYS H H 25 8.608 8.288 0.320 1
1 214 . 11 1 1 A 25 25 LYS CA C 25 59.831 59.803 0.028 1
1 215 . 11 1 1 A 25 25 LYS HA H 25 2.994 3.061 -0.067 1
1 216 . 11 1 1 A 25 25 LYS CB C 25 31.771 31.491 0.280 1
1 228 . 11 1 1 A 25 25 LYS C C 25 178.888 177.848 1.040 1
1 229 . 11 1 1 A 26 26 ALA CA C 26 54.777 55.074 -0.297 1
1 230 . 11 1 1 A 26 26 ALA HA H 26 4.073 3.942 0.131 1
1 231 . 11 1 1 A 26 26 ALA CB C 26 18.221 18.412 -0.191 1
1 235 . 11 1 1 A 26 26 ALA C C 26 180.193 179.372 0.821 1
1 236 . 11 1 1 A 27 27 HIS N N 27 115.655 115.886 -0.231 1
1 237 . 11 1 1 A 27 27 HIS H H 27 6.808 7.954 -1.146 1
1 238 . 11 1 1 A 27 27 HIS CA C 27 56.597 59.520 -2.923 1
1 239 . 11 1 1 A 27 27 HIS HA H 27 4.441 4.224 0.217 1
1 240 . 11 1 1 A 27 27 HIS CB C 27 31.644 30.030 1.614 1
1 247 . 11 1 1 A 27 27 HIS C C 27 178.584 177.420 1.164 1
1 248 . 11 1 1 A 28 28 LEU N N 28 121.599 120.630 0.969 1
1 249 . 11 1 1 A 28 28 LEU H H 28 7.008 7.866 -0.858 1
1 250 . 11 1 1 A 28 28 LEU CA C 28 57.764 57.700 0.064 1
1 251 . 11 1 1 A 28 28 LEU HA H 28 3.280 3.057 0.223 1
1 252 . 11 1 1 A 28 28 LEU CB C 28 40.215 41.556 -1.341 1
1 265 . 11 1 1 A 28 28 LEU C C 28 177.435 177.920 -0.485 1
1 266 . 11 1 1 A 29 29 ALA N N 29 121.543 120.687 0.856 1
1 267 . 11 1 1 A 29 29 ALA H H 29 8.100 8.473 -0.373 1
1 268 . 11 1 1 A 29 29 ALA CA C 29 55.208 55.494 -0.286 1
1 269 . 11 1 1 A 29 29 ALA HA H 29 4.148 3.908 0.240 1
1 270 . 11 1 1 A 29 29 ALA CB C 29 17.731 18.225 -0.494 1
1 274 . 11 1 1 A 29 29 ALA C C 29 180.709 180.164 0.545 1
1 275 . 11 1 1 A 30 30 GLN N N 30 116.397 117.204 -0.807 1
1 276 . 11 1 1 A 30 30 GLN H H 30 7.564 7.852 -0.288 1
1 277 . 11 1 1 A 30 30 GLN CA C 30 58.469 58.375 0.094 1
1 278 . 11 1 1 A 30 30 GLN HA H 30 3.997 4.037 -0.040 1
1 279 . 11 1 1 A 30 30 GLN CB C 30 28.395 28.897 -0.502 1
1 288 . 11 1 1 A 30 30 GLN C C 30 178.538 178.091 0.447 1
1 289 . 11 1 1 A 31 31 HIS N N 31 119.006 121.790 -2.784 1
1 290 . 11 1 1 A 31 31 HIS H H 31 7.685 8.085 -0.400 1
1 291 . 11 1 1 A 31 31 HIS CA C 31 59.033 58.828 0.205 1
1 292 . 11 1 1 A 31 31 HIS HA H 31 4.262 4.173 0.089 1
1 293 . 11 1 1 A 31 31 HIS CB C 31 28.627 30.172 -1.545 1
1 300 . 11 1 1 A 31 31 HIS C C 31 177.956 176.982 0.974 1
1 301 . 11 1 1 A 32 32 GLN N N 32 119.870 117.331 2.539 1
1 302 . 11 1 1 A 32 32 GLN H H 32 8.809 8.486 0.323 1
1 303 . 11 1 1 A 32 32 GLN CA C 32 59.611 59.005 0.606 1
1 304 . 11 1 1 A 32 32 GLN HA H 32 3.747 3.549 0.198 1
1 305 . 11 1 1 A 32 32 GLN CB C 32 28.255 28.273 -0.018 1
1 314 . 11 1 1 A 32 32 GLN C C 32 177.728 177.909 -0.181 1
1 315 . 11 1 1 A 33 33 LYS N N 33 116.864 117.770 -0.906 1
1 316 . 11 1 1 A 33 33 LYS H H 33 7.108 7.611 -0.503 1
1 317 . 11 1 1 A 33 33 LYS CA C 33 58.613 58.857 -0.244 1
1 318 . 11 1 1 A 33 33 LYS HA H 33 4.149 4.035 0.114 1
1 319 . 11 1 1 A 33 33 LYS CB C 33 32.203 32.249 -0.046 1
1 331 . 11 1 1 A 33 33 LYS C C 33 178.099 178.403 -0.304 1
1 332 . 11 1 1 A 34 34 THR N N 34 109.562 113.790 -4.228 1
1 333 . 11 1 1 A 34 34 THR H H 34 7.736 8.356 -0.620 1
1 334 . 11 1 1 A 34 34 THR CA C 34 63.792 65.501 -1.709 1
1 335 . 11 1 1 A 34 34 THR HA H 34 4.131 3.927 0.204 1
1 336 . 11 1 1 A 34 34 THR CB C 34 69.387 68.884 0.503 1
1 342 . 11 1 1 A 34 34 THR C C 34 175.335 175.080 0.255 1
1 343 . 11 1 1 A 35 35 HIS N N 35 118.240 117.874 0.366 1
1 344 . 11 1 1 A 35 35 HIS H H 35 7.156 7.827 -0.671 1
1 345 . 11 1 1 A 35 35 HIS CA C 35 55.103 55.293 -0.190 1
1 346 . 11 1 1 A 35 35 HIS HA H 35 4.972 4.564 0.408 1
1 347 . 11 1 1 A 35 35 HIS CB C 35 28.657 28.235 0.422 1
1 354 . 11 1 1 A 35 35 HIS C C 35 175.393 175.007 0.386 1
1 355 . 11 1 1 A 36 36 THR N N 36 113.040 118.408 -5.368 1
1 356 . 11 1 1 A 36 36 THR H H 36 7.839 8.174 -0.335 1
1 357 . 11 1 1 A 36 36 THR CA C 36 61.871 62.341 -0.470 1
1 358 . 11 1 1 A 36 36 THR HA H 36 4.369 4.145 0.224 1
1 359 . 11 1 1 A 36 36 THR CB C 36 69.836 69.387 0.449 1
1 365 . 11 1 1 A 36 36 THR C C 36 175.280 174.954 0.326 1
1 366 . 11 1 1 A 37 37 GLY CA C 37 45.249 46.530 -1.281 1
1 367 . 11 1 1 A 37 37 GLY HA2 H 37 4.008 3.924 0.084 1
1 368 . 11 1 1 A 37 37 GLY HA3 H 37 4.008 3.927 0.081 1
1 369 . 11 1 1 A 37 37 GLY C C 37 174.005 174.347 -0.342 1
1 370 . 11 1 1 A 38 38 GLU N N 38 120.596 124.376 -3.780 1
1 371 . 11 1 1 A 38 38 GLU H H 38 8.130 8.486 -0.356 1
1 372 . 11 1 1 A 38 38 GLU CA C 38 56.422 56.866 -0.444 1
1 373 . 11 1 1 A 38 38 GLU HA H 38 4.265 4.157 0.108 1
1 374 . 11 1 1 A 38 38 GLU CB C 38 30.578 30.037 0.541 1
1 380 . 11 1 1 A 38 38 GLU C C 38 176.250 176.448 -0.198 1
1 381 . 11 1 1 A 39 39 LYS N N 39 123.746 120.411 3.335 1
1 382 . 11 1 1 A 39 39 LYS H H 39 8.424 8.899 -0.475 1
1 383 . 11 1 1 A 39 39 LYS CA C 39 54.157 57.176 -3.019 1
1 384 . 11 1 1 A 39 39 LYS HA H 39 4.612 3.945 0.667 1
1 385 . 11 1 1 A 39 39 LYS CB C 39 32.575 31.069 1.506 1
1 395 . 11 1 1 A 39 39 LYS C C 39 174.466 175.484 -1.018 1
1 396 . 11 1 1 A 40 40 PRO CA C 40 63.253 62.667 0.586 1
1 397 . 11 1 1 A 40 40 PRO HA H 40 4.480 4.435 0.045 1
1 398 . 11 1 1 A 40 40 PRO CB C 40 32.250 32.231 0.019 1
1 406 . 11 1 1 A 42 42 GLY N N 42 110.630 107.434 3.196 1
1 407 . 11 1 1 A 42 42 GLY H H 42 8.218 7.930 0.288 1
1 408 . 11 1 1 A 42 42 GLY CA C 42 44.674 45.319 -0.645 1
1 409 . 11 1 1 A 42 42 GLY HA2 H 42 4.116 4.078 0.038 1
1 410 . 11 1 1 A 42 42 GLY HA3 H 42 4.165 4.078 0.087 1
1 411 . 11 1 1 A 43 43 PRO CA C 43 63.242 62.860 0.382 1
1 412 . 11 1 1 A 43 43 PRO HA H 43 4.487 4.540 -0.053 1
1 413 . 11 1 1 A 43 43 PRO CB C 43 32.343 31.624 0.719 1
1 420 . 11 1 1 A 44 44 SER N N 44 116.476 118.159 -1.683 1
1 421 . 11 1 1 A 44 44 SER H H 44 8.466 8.457 0.009 1
1 422 . 11 1 1 A 44 44 SER CA C 44 58.347 56.998 1.349 1
1 423 . 11 1 1 A 44 44 SER HA H 44 4.479 4.821 -0.342 1
1 424 . 11 1 1 A 44 44 SER CB C 44 64.148 63.914 0.234 1
1 426 . 11 1 1 A 45 45 SER CA C 45 58.438 56.655 1.783 1
1 427 . 11 1 1 A 45 45 SER HA H 45 4.493 4.967 -0.474 1
1 428 . 11 1 1 A 45 45 SER CB C 45 63.960 65.794 -1.834 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.478 44.923 0.555 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.042 4.303 -0.261 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.042 4.304 -0.262 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.517 173.951 0.566 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.852 117.702 -4.850 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.150 8.595 -0.445 1
1 7 . 12 1 1 A 8 8 THR CA C 8 62.463 63.453 -0.990 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.364 4.442 -0.078 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.776 70.282 -0.506 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.241 174.243 0.998 1
1 16 . 12 1 1 A 9 9 GLY N N 9 111.036 108.501 2.535 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.423 7.890 0.533 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.273 44.619 0.654 1
1 19 . 12 1 1 A 9 9 GLY HA2 H 9 3.918 4.211 -0.293 1
1 20 . 12 1 1 A 9 9 GLY HA3 H 9 3.965 4.218 -0.253 1
1 21 . 12 1 1 A 9 9 GLY C C 9 174.013 172.695 1.318 1
1 22 . 12 1 1 A 10 10 GLU N N 10 120.348 121.038 -0.690 1
1 23 . 12 1 1 A 10 10 GLU H H 10 8.209 8.942 -0.733 1
1 24 . 12 1 1 A 10 10 GLU CA C 10 56.820 55.359 1.461 1
1 25 . 12 1 1 A 10 10 GLU HA H 10 4.193 4.953 -0.760 1
1 26 . 12 1 1 A 10 10 GLU CB C 10 30.457 30.504 -0.047 1
1 32 . 12 1 1 A 10 10 GLU C C 10 176.284 175.691 0.593 1
1 33 . 12 1 1 A 11 11 LYS N N 11 121.889 125.382 -3.493 1
1 34 . 12 1 1 A 11 11 LYS H H 11 8.297 8.383 -0.086 1
1 35 . 12 1 1 A 11 11 LYS CA C 11 53.828 55.201 -1.373 1
1 36 . 12 1 1 A 11 11 LYS HA H 11 4.504 4.181 0.323 1
1 37 . 12 1 1 A 11 11 LYS CB C 11 32.938 32.596 0.342 1
1 48 . 12 1 1 A 12 12 PRO CA C 12 63.404 63.909 -0.505 1
1 49 . 12 1 1 A 12 12 PRO HA H 12 4.258 4.299 -0.041 1
1 50 . 12 1 1 A 12 12 PRO CB C 12 32.224 31.297 0.927 1
1 59 . 12 1 1 A 12 12 PRO C C 12 176.340 175.541 0.799 1
1 60 . 12 1 1 A 13 13 TYR N N 13 118.367 119.454 -1.087 1
1 61 . 12 1 1 A 13 13 TYR H H 13 7.933 7.362 0.571 1
1 62 . 12 1 1 A 13 13 TYR CA C 13 57.250 56.657 0.593 1
1 63 . 12 1 1 A 13 13 TYR HA H 13 4.664 5.303 -0.639 1
1 64 . 12 1 1 A 13 13 TYR CB C 13 38.486 40.296 -1.810 1
1 75 . 12 1 1 A 13 13 TYR C C 13 174.622 174.343 0.279 1
1 76 . 12 1 1 A 14 14 GLU N N 14 124.142 125.151 -1.009 1
1 77 . 12 1 1 A 14 14 GLU H H 14 8.524 9.107 -0.583 1
1 78 . 12 1 1 A 14 14 GLU CA C 14 55.138 54.861 0.277 1
1 79 . 12 1 1 A 14 14 GLU HA H 14 4.883 5.614 -0.731 1
1 80 . 12 1 1 A 14 14 GLU CB C 14 32.979 33.594 -0.615 1
1 86 . 12 1 1 A 14 14 GLU C C 14 175.112 175.028 0.084 1
1 87 . 12 1 1 A 15 15 CYS N N 15 126.468 125.598 0.870 1
1 88 . 12 1 1 A 15 15 CYS H H 15 9.176 9.620 -0.444 1
1 89 . 12 1 1 A 15 15 CYS CA C 15 59.621 59.280 0.341 1
1 90 . 12 1 1 A 15 15 CYS HA H 15 4.549 4.723 -0.174 1
1 91 . 12 1 1 A 15 15 CYS CB C 15 29.673 29.001 0.672 1
1 94 . 12 1 1 A 15 15 CYS C C 15 177.028 174.697 2.331 1
1 95 . 12 1 1 A 16 16 LYS N N 16 130.332 124.857 5.475 1
1 96 . 12 1 1 A 16 16 LYS H H 16 9.220 8.822 0.398 1
1 97 . 12 1 1 A 16 16 LYS CA C 16 57.744 57.035 0.709 1
1 98 . 12 1 1 A 16 16 LYS HA H 16 4.284 4.485 -0.201 1
1 99 . 12 1 1 A 16 16 LYS CB C 16 32.162 33.585 -1.423 1
1 111 . 12 1 1 A 16 16 LYS C C 16 177.052 178.490 -1.438 1
1 112 . 12 1 1 A 17 17 VAL N N 17 121.440 119.983 1.457 1
1 113 . 12 1 1 A 17 17 VAL H H 17 8.817 7.699 1.118 1
1 114 . 12 1 1 A 17 17 VAL CA C 17 65.126 66.400 -1.274 1
1 115 . 12 1 1 A 17 17 VAL HA H 17 3.787 3.429 0.358 1
1 116 . 12 1 1 A 17 17 VAL CB C 17 32.790 31.336 1.454 1
1 126 . 12 1 1 A 17 17 VAL C C 17 177.095 177.448 -0.353 1
1 127 . 12 1 1 A 18 18 CYS N N 18 116.697 115.899 0.798 1
1 128 . 12 1 1 A 18 18 CYS H H 18 8.024 7.789 0.235 1
1 129 . 12 1 1 A 18 18 CYS CA C 18 58.412 59.681 -1.269 1
1 130 . 12 1 1 A 18 18 CYS HA H 18 5.148 4.495 0.653 1
1 131 . 12 1 1 A 18 18 CYS CB C 18 32.282 29.138 3.144 1
1 134 . 12 1 1 A 18 18 CYS C C 18 175.649 175.072 0.577 1
1 135 . 12 1 1 A 19 19 SER N N 19 115.473 115.764 -0.291 1
1 136 . 12 1 1 A 19 19 SER H H 19 8.025 8.240 -0.215 1
1 137 . 12 1 1 A 19 19 SER CA C 19 61.107 59.245 1.862 1
1 138 . 12 1 1 A 19 19 SER HA H 19 4.344 4.451 -0.107 1
1 139 . 12 1 1 A 19 19 SER CB C 19 62.187 61.690 0.497 1
1 142 . 12 1 1 A 19 19 SER C C 19 173.220 173.859 -0.639 1
1 143 . 12 1 1 A 20 20 LYS N N 20 123.593 120.974 2.619 1
1 144 . 12 1 1 A 20 20 LYS H H 20 8.026 7.197 0.829 1
1 145 . 12 1 1 A 20 20 LYS CA C 20 58.115 55.090 3.025 1
1 146 . 12 1 1 A 20 20 LYS HA H 20 4.007 4.639 -0.632 1
1 147 . 12 1 1 A 20 20 LYS CB C 20 33.813 34.279 -0.466 1
1 159 . 12 1 1 A 20 20 LYS C C 20 173.846 174.970 -1.124 1
1 160 . 12 1 1 A 21 21 ALA N N 21 124.213 127.753 -3.540 1
1 161 . 12 1 1 A 21 21 ALA H H 21 7.837 8.705 -0.868 1
1 162 . 12 1 1 A 21 21 ALA CA C 21 50.509 49.990 0.519 1
1 163 . 12 1 1 A 21 21 ALA HA H 21 5.125 5.484 -0.359 1
1 164 . 12 1 1 A 21 21 ALA CB C 21 22.361 21.221 1.140 1
1 168 . 12 1 1 A 21 21 ALA C C 21 176.165 176.185 -0.020 1
1 169 . 12 1 1 A 22 22 PHE N N 22 116.773 119.190 -2.417 1
1 170 . 12 1 1 A 22 22 PHE H H 22 8.660 9.233 -0.573 1
1 171 . 12 1 1 A 22 22 PHE CA C 22 57.228 56.466 0.762 1
1 172 . 12 1 1 A 22 22 PHE HA H 22 4.872 4.908 -0.036 1
1 173 . 12 1 1 A 22 22 PHE CB C 22 43.970 42.437 1.533 1
1 186 . 12 1 1 A 22 22 PHE C C 22 175.596 176.069 -0.473 1
1 187 . 12 1 1 A 23 23 THR N N 23 112.435 117.975 -5.540 1
1 188 . 12 1 1 A 23 23 THR H H 23 9.419 8.607 0.812 1
1 189 . 12 1 1 A 23 23 THR CA C 23 63.752 64.007 -0.255 1
1 190 . 12 1 1 A 23 23 THR HA H 23 4.538 4.369 0.169 1
1 191 . 12 1 1 A 23 23 THR CB C 23 69.791 69.755 0.036 1
1 197 . 12 1 1 A 23 23 THR C C 23 174.879 174.399 0.480 1
1 198 . 12 1 1 A 24 24 GLN N N 24 116.006 118.063 -2.057 1
1 199 . 12 1 1 A 24 24 GLN H H 24 7.257 7.880 -0.623 1
1 200 . 12 1 1 A 24 24 GLN CA C 24 53.833 54.416 -0.583 1
1 201 . 12 1 1 A 24 24 GLN HA H 24 4.721 4.833 -0.112 1
1 202 . 12 1 1 A 24 24 GLN CB C 24 31.008 31.728 -0.720 1
1 211 . 12 1 1 A 24 24 GLN C C 24 176.152 176.036 0.116 1
1 212 . 12 1 1 A 25 25 LYS N N 25 127.585 121.753 5.832 1
1 213 . 12 1 1 A 25 25 LYS H H 25 8.608 8.427 0.181 1
1 214 . 12 1 1 A 25 25 LYS CA C 25 59.831 58.516 1.315 1
1 215 . 12 1 1 A 25 25 LYS HA H 25 2.994 3.120 -0.126 1
1 216 . 12 1 1 A 25 25 LYS CB C 25 31.771 31.499 0.272 1
1 228 . 12 1 1 A 25 25 LYS C C 25 178.888 178.437 0.451 1
1 229 . 12 1 1 A 26 26 ALA CA C 26 54.777 54.949 -0.172 1
1 230 . 12 1 1 A 26 26 ALA HA H 26 4.073 4.030 0.043 1
1 231 . 12 1 1 A 26 26 ALA CB C 26 18.221 18.327 -0.106 1
1 235 . 12 1 1 A 26 26 ALA C C 26 180.193 179.165 1.028 1
1 236 . 12 1 1 A 27 27 HIS N N 27 115.655 118.171 -2.516 1
1 237 . 12 1 1 A 27 27 HIS H H 27 6.808 8.009 -1.201 1
1 238 . 12 1 1 A 27 27 HIS CA C 27 56.597 59.881 -3.284 1
1 239 . 12 1 1 A 27 27 HIS HA H 27 4.441 4.152 0.289 1
1 240 . 12 1 1 A 27 27 HIS CB C 27 31.644 29.970 1.674 1
1 247 . 12 1 1 A 27 27 HIS C C 27 178.584 176.189 2.395 1
1 248 . 12 1 1 A 28 28 LEU N N 28 121.599 120.001 1.598 1
1 249 . 12 1 1 A 28 28 LEU H H 28 7.008 7.335 -0.327 1
1 250 . 12 1 1 A 28 28 LEU CA C 28 57.764 57.427 0.337 1
1 251 . 12 1 1 A 28 28 LEU HA H 28 3.280 2.861 0.419 1
1 252 . 12 1 1 A 28 28 LEU CB C 28 40.215 41.344 -1.129 1
1 265 . 12 1 1 A 28 28 LEU C C 28 177.435 177.998 -0.563 1
1 266 . 12 1 1 A 29 29 ALA N N 29 121.543 120.856 0.687 1
1 267 . 12 1 1 A 29 29 ALA H H 29 8.100 8.638 -0.538 1
1 268 . 12 1 1 A 29 29 ALA CA C 29 55.208 55.440 -0.232 1
1 269 . 12 1 1 A 29 29 ALA HA H 29 4.148 4.125 0.023 1
1 270 . 12 1 1 A 29 29 ALA CB C 29 17.731 18.344 -0.613 1
1 274 . 12 1 1 A 29 29 ALA C C 29 180.709 179.845 0.864 1
1 275 . 12 1 1 A 30 30 GLN N N 30 116.397 117.529 -1.132 1
1 276 . 12 1 1 A 30 30 GLN H H 30 7.564 8.138 -0.574 1
1 277 . 12 1 1 A 30 30 GLN CA C 30 58.469 58.831 -0.362 1
1 278 . 12 1 1 A 30 30 GLN HA H 30 3.997 4.085 -0.088 1
1 279 . 12 1 1 A 30 30 GLN CB C 30 28.395 28.340 0.055 1
1 288 . 12 1 1 A 30 30 GLN C C 30 178.538 177.909 0.629 1
1 289 . 12 1 1 A 31 31 HIS N N 31 119.006 120.517 -1.511 1
1 290 . 12 1 1 A 31 31 HIS H H 31 7.685 8.511 -0.826 1
1 291 . 12 1 1 A 31 31 HIS CA C 31 59.033 59.612 -0.579 1
1 292 . 12 1 1 A 31 31 HIS HA H 31 4.262 4.303 -0.041 1
1 293 . 12 1 1 A 31 31 HIS CB C 31 28.627 29.748 -1.121 1
1 300 . 12 1 1 A 31 31 HIS C C 31 177.956 176.612 1.344 1
1 301 . 12 1 1 A 32 32 GLN N N 32 119.870 117.291 2.579 1
1 302 . 12 1 1 A 32 32 GLN H H 32 8.809 8.596 0.213 1
1 303 . 12 1 1 A 32 32 GLN CA C 32 59.611 59.109 0.502 1
1 304 . 12 1 1 A 32 32 GLN HA H 32 3.747 3.771 -0.024 1
1 305 . 12 1 1 A 32 32 GLN CB C 32 28.255 28.231 0.024 1
1 314 . 12 1 1 A 32 32 GLN C C 32 177.728 178.452 -0.724 1
1 315 . 12 1 1 A 33 33 LYS N N 33 116.864 119.233 -2.369 1
1 316 . 12 1 1 A 33 33 LYS H H 33 7.108 8.009 -0.901 1
1 317 . 12 1 1 A 33 33 LYS CA C 33 58.613 59.387 -0.774 1
1 318 . 12 1 1 A 33 33 LYS HA H 33 4.149 3.910 0.239 1
1 319 . 12 1 1 A 33 33 LYS CB C 33 32.203 32.364 -0.161 1
1 331 . 12 1 1 A 33 33 LYS C C 33 178.099 178.484 -0.385 1
1 332 . 12 1 1 A 34 34 THR N N 34 109.562 112.453 -2.891 1
1 333 . 12 1 1 A 34 34 THR H H 34 7.736 8.394 -0.658 1
1 334 . 12 1 1 A 34 34 THR CA C 34 63.792 65.295 -1.503 1
1 335 . 12 1 1 A 34 34 THR HA H 34 4.131 4.005 0.126 1
1 336 . 12 1 1 A 34 34 THR CB C 34 69.387 67.874 1.513 1
1 342 . 12 1 1 A 34 34 THR C C 34 175.335 175.287 0.048 1
1 343 . 12 1 1 A 35 35 HIS N N 35 118.240 120.325 -2.085 1
1 344 . 12 1 1 A 35 35 HIS H H 35 7.156 7.673 -0.517 1
1 345 . 12 1 1 A 35 35 HIS CA C 35 55.103 57.148 -2.045 1
1 346 . 12 1 1 A 35 35 HIS HA H 35 4.972 4.452 0.520 1
1 347 . 12 1 1 A 35 35 HIS CB C 35 28.657 30.584 -1.927 1
1 354 . 12 1 1 A 35 35 HIS C C 35 175.393 175.355 0.038 1
1 355 . 12 1 1 A 36 36 THR N N 36 113.040 118.507 -5.467 1
1 356 . 12 1 1 A 36 36 THR H H 36 7.839 8.746 -0.907 1
1 357 . 12 1 1 A 36 36 THR CA C 36 61.871 61.562 0.309 1
1 358 . 12 1 1 A 36 36 THR HA H 36 4.369 4.751 -0.382 1
1 359 . 12 1 1 A 36 36 THR CB C 36 69.836 69.103 0.733 1
1 365 . 12 1 1 A 36 36 THR C C 36 175.280 174.865 0.415 1
1 366 . 12 1 1 A 37 37 GLY CA C 37 45.249 45.955 -0.706 1
1 367 . 12 1 1 A 37 37 GLY HA2 H 37 4.008 4.103 -0.095 1
1 368 . 12 1 1 A 37 37 GLY HA3 H 37 4.008 4.103 -0.095 1
1 369 . 12 1 1 A 37 37 GLY C C 37 174.005 174.704 -0.699 1
1 370 . 12 1 1 A 38 38 GLU N N 38 120.596 122.421 -1.825 1
1 371 . 12 1 1 A 38 38 GLU H H 38 8.130 8.481 -0.351 1
1 372 . 12 1 1 A 38 38 GLU CA C 38 56.422 55.921 0.501 1
1 373 . 12 1 1 A 38 38 GLU HA H 38 4.265 4.451 -0.186 1
1 374 . 12 1 1 A 38 38 GLU CB C 38 30.578 29.991 0.587 1
1 380 . 12 1 1 A 38 38 GLU C C 38 176.250 175.611 0.639 1
1 381 . 12 1 1 A 39 39 LYS N N 39 123.746 117.600 6.146 1
1 382 . 12 1 1 A 39 39 LYS H H 39 8.424 7.359 1.065 1
1 383 . 12 1 1 A 39 39 LYS CA C 39 54.157 53.816 0.341 1
1 384 . 12 1 1 A 39 39 LYS HA H 39 4.612 4.853 -0.241 1
1 385 . 12 1 1 A 39 39 LYS CB C 39 32.575 33.707 -1.132 1
1 395 . 12 1 1 A 39 39 LYS C C 39 174.466 175.199 -0.733 1
1 396 . 12 1 1 A 40 40 PRO CA C 40 63.253 62.357 0.896 1
1 397 . 12 1 1 A 40 40 PRO HA H 40 4.480 4.533 -0.053 1
1 398 . 12 1 1 A 40 40 PRO CB C 40 32.250 33.314 -1.064 1
1 406 . 12 1 1 A 42 42 GLY N N 42 110.630 107.018 3.612 1
1 407 . 12 1 1 A 42 42 GLY H H 42 8.218 7.802 0.416 1
1 408 . 12 1 1 A 42 42 GLY CA C 42 44.674 44.897 -0.223 1
1 409 . 12 1 1 A 42 42 GLY HA2 H 42 4.116 4.096 0.020 1
1 410 . 12 1 1 A 42 42 GLY HA3 H 42 4.165 4.096 0.069 1
1 411 . 12 1 1 A 43 43 PRO CA C 43 63.242 62.799 0.443 1
1 412 . 12 1 1 A 43 43 PRO HA H 43 4.487 4.731 -0.244 1
1 413 . 12 1 1 A 43 43 PRO CB C 43 32.343 31.749 0.594 1
1 420 . 12 1 1 A 44 44 SER N N 44 116.476 115.486 0.990 1
1 421 . 12 1 1 A 44 44 SER H H 44 8.466 8.248 0.218 1
1 422 . 12 1 1 A 44 44 SER CA C 44 58.347 56.976 1.371 1
1 423 . 12 1 1 A 44 44 SER HA H 44 4.479 5.092 -0.613 1
1 424 . 12 1 1 A 44 44 SER CB C 44 64.148 64.191 -0.043 1
1 426 . 12 1 1 A 45 45 SER CA C 45 58.438 59.098 -0.660 1
1 427 . 12 1 1 A 45 45 SER HA H 45 4.493 4.512 -0.019 1
1 428 . 12 1 1 A 45 45 SER CB C 45 63.960 63.964 -0.004 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.478 44.769 0.709 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.042 4.031 0.011 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.042 4.031 0.011 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.517 172.791 1.726 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.852 115.553 -2.701 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.150 8.539 -0.389 1
1 7 . 13 1 1 A 8 8 THR CA C 8 62.463 63.195 -0.732 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.364 4.258 0.106 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.776 69.284 0.492 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.241 175.478 -0.237 1
1 16 . 13 1 1 A 9 9 GLY N N 9 111.036 114.416 -3.380 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.423 8.897 -0.474 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.273 45.653 -0.380 1
1 19 . 13 1 1 A 9 9 GLY HA2 H 9 3.918 4.020 -0.102 1
1 20 . 13 1 1 A 9 9 GLY HA3 H 9 3.965 4.022 -0.057 1
1 21 . 13 1 1 A 9 9 GLY C C 9 174.013 174.443 -0.430 1
1 22 . 13 1 1 A 10 10 GLU N N 10 120.348 120.133 0.215 1
1 23 . 13 1 1 A 10 10 GLU H H 10 8.209 7.942 0.267 1
1 24 . 13 1 1 A 10 10 GLU CA C 10 56.820 55.247 1.573 1
1 25 . 13 1 1 A 10 10 GLU HA H 10 4.193 4.564 -0.371 1
1 26 . 13 1 1 A 10 10 GLU CB C 10 30.457 30.174 0.283 1
1 32 . 13 1 1 A 10 10 GLU C C 10 176.284 175.316 0.968 1
1 33 . 13 1 1 A 11 11 LYS N N 11 121.889 124.496 -2.607 1
1 34 . 13 1 1 A 11 11 LYS H H 11 8.297 8.144 0.153 1
1 35 . 13 1 1 A 11 11 LYS CA C 11 53.828 53.586 0.242 1
1 36 . 13 1 1 A 11 11 LYS HA H 11 4.504 4.679 -0.175 1
1 37 . 13 1 1 A 11 11 LYS CB C 11 32.938 32.441 0.497 1
1 48 . 13 1 1 A 12 12 PRO CA C 12 63.404 63.806 -0.402 1
1 49 . 13 1 1 A 12 12 PRO HA H 12 4.258 4.298 -0.040 1
1 50 . 13 1 1 A 12 12 PRO CB C 12 32.224 31.050 1.174 1
1 59 . 13 1 1 A 12 12 PRO C C 12 176.340 175.520 0.820 1
1 60 . 13 1 1 A 13 13 TYR N N 13 118.367 119.175 -0.808 1
1 61 . 13 1 1 A 13 13 TYR H H 13 7.933 7.423 0.510 1
1 62 . 13 1 1 A 13 13 TYR CA C 13 57.250 56.889 0.361 1
1 63 . 13 1 1 A 13 13 TYR HA H 13 4.664 5.397 -0.733 1
1 64 . 13 1 1 A 13 13 TYR CB C 13 38.486 41.329 -2.843 1
1 75 . 13 1 1 A 13 13 TYR C C 13 174.622 174.484 0.138 1
1 76 . 13 1 1 A 14 14 GLU N N 14 124.142 124.426 -0.284 1
1 77 . 13 1 1 A 14 14 GLU H H 14 8.524 8.987 -0.463 1
1 78 . 13 1 1 A 14 14 GLU CA C 14 55.138 55.269 -0.131 1
1 79 . 13 1 1 A 14 14 GLU HA H 14 4.883 5.128 -0.245 1
1 80 . 13 1 1 A 14 14 GLU CB C 14 32.979 33.691 -0.712 1
1 86 . 13 1 1 A 14 14 GLU C C 14 175.112 175.090 0.022 1
1 87 . 13 1 1 A 15 15 CYS N N 15 126.468 125.626 0.842 1
1 88 . 13 1 1 A 15 15 CYS H H 15 9.176 9.313 -0.137 1
1 89 . 13 1 1 A 15 15 CYS CA C 15 59.621 59.404 0.217 1
1 90 . 13 1 1 A 15 15 CYS HA H 15 4.549 4.726 -0.177 1
1 91 . 13 1 1 A 15 15 CYS CB C 15 29.673 28.995 0.678 1
1 94 . 13 1 1 A 15 15 CYS C C 15 177.028 174.870 2.158 1
1 95 . 13 1 1 A 16 16 LYS N N 16 130.332 124.505 5.827 1
1 96 . 13 1 1 A 16 16 LYS H H 16 9.220 8.890 0.330 1
1 97 . 13 1 1 A 16 16 LYS CA C 16 57.744 56.717 1.027 1
1 98 . 13 1 1 A 16 16 LYS HA H 16 4.284 4.461 -0.177 1
1 99 . 13 1 1 A 16 16 LYS CB C 16 32.162 33.387 -1.225 1
1 111 . 13 1 1 A 16 16 LYS C C 16 177.052 178.307 -1.255 1
1 112 . 13 1 1 A 17 17 VAL N N 17 121.440 119.502 1.938 1
1 113 . 13 1 1 A 17 17 VAL H H 17 8.817 7.896 0.921 1
1 114 . 13 1 1 A 17 17 VAL CA C 17 65.126 66.061 -0.935 1
1 115 . 13 1 1 A 17 17 VAL HA H 17 3.787 3.520 0.267 1
1 116 . 13 1 1 A 17 17 VAL CB C 17 32.790 31.220 1.570 1
1 126 . 13 1 1 A 17 17 VAL C C 17 177.095 177.926 -0.831 1
1 127 . 13 1 1 A 18 18 CYS N N 18 116.697 116.664 0.033 1
1 128 . 13 1 1 A 18 18 CYS H H 18 8.024 7.927 0.097 1
1 129 . 13 1 1 A 18 18 CYS CA C 18 58.412 59.673 -1.261 1
1 130 . 13 1 1 A 18 18 CYS HA H 18 5.148 4.491 0.657 1
1 131 . 13 1 1 A 18 18 CYS CB C 18 32.282 28.703 3.579 1
1 134 . 13 1 1 A 18 18 CYS C C 18 175.649 174.787 0.862 1
1 135 . 13 1 1 A 19 19 SER N N 19 115.473 112.924 2.549 1
1 136 . 13 1 1 A 19 19 SER H H 19 8.025 8.120 -0.095 1
1 137 . 13 1 1 A 19 19 SER CA C 19 61.107 59.344 1.763 1
1 138 . 13 1 1 A 19 19 SER HA H 19 4.344 4.576 -0.232 1
1 139 . 13 1 1 A 19 19 SER CB C 19 62.187 60.875 1.312 1
1 142 . 13 1 1 A 19 19 SER C C 19 173.220 172.612 0.608 1
1 143 . 13 1 1 A 20 20 LYS N N 20 123.593 120.328 3.265 1
1 144 . 13 1 1 A 20 20 LYS H H 20 8.026 7.769 0.257 1
1 145 . 13 1 1 A 20 20 LYS CA C 20 58.115 55.229 2.886 1
1 146 . 13 1 1 A 20 20 LYS HA H 20 4.007 4.666 -0.659 1
1 147 . 13 1 1 A 20 20 LYS CB C 20 33.813 34.320 -0.507 1
1 159 . 13 1 1 A 20 20 LYS C C 20 173.846 175.420 -1.574 1
1 160 . 13 1 1 A 21 21 ALA N N 21 124.213 128.067 -3.854 1
1 161 . 13 1 1 A 21 21 ALA H H 21 7.837 8.720 -0.883 1
1 162 . 13 1 1 A 21 21 ALA CA C 21 50.509 50.609 -0.100 1
1 163 . 13 1 1 A 21 21 ALA HA H 21 5.125 5.688 -0.563 1
1 164 . 13 1 1 A 21 21 ALA CB C 21 22.361 21.561 0.800 1
1 168 . 13 1 1 A 21 21 ALA C C 21 176.165 176.409 -0.244 1
1 169 . 13 1 1 A 22 22 PHE N N 22 116.773 117.604 -0.831 1
1 170 . 13 1 1 A 22 22 PHE H H 22 8.660 8.568 0.092 1
1 171 . 13 1 1 A 22 22 PHE CA C 22 57.228 56.671 0.557 1
1 172 . 13 1 1 A 22 22 PHE HA H 22 4.872 4.971 -0.099 1
1 173 . 13 1 1 A 22 22 PHE CB C 22 43.970 43.616 0.354 1
1 186 . 13 1 1 A 22 22 PHE C C 22 175.596 175.827 -0.231 1
1 187 . 13 1 1 A 23 23 THR N N 23 112.435 116.067 -3.632 1
1 188 . 13 1 1 A 23 23 THR H H 23 9.419 8.786 0.633 1
1 189 . 13 1 1 A 23 23 THR CA C 23 63.752 63.521 0.231 1
1 190 . 13 1 1 A 23 23 THR HA H 23 4.538 4.537 0.001 1
1 191 . 13 1 1 A 23 23 THR CB C 23 69.791 70.178 -0.387 1
1 197 . 13 1 1 A 23 23 THR C C 23 174.879 173.905 0.974 1
1 198 . 13 1 1 A 24 24 GLN N N 24 116.006 117.692 -1.686 1
1 199 . 13 1 1 A 24 24 GLN H H 24 7.257 7.247 0.010 1
1 200 . 13 1 1 A 24 24 GLN CA C 24 53.833 53.992 -0.159 1
1 201 . 13 1 1 A 24 24 GLN HA H 24 4.721 4.513 0.208 1
1 202 . 13 1 1 A 24 24 GLN CB C 24 31.008 31.984 -0.976 1
1 211 . 13 1 1 A 24 24 GLN C C 24 176.152 175.317 0.835 1
1 212 . 13 1 1 A 25 25 LYS N N 25 127.585 123.116 4.469 1
1 213 . 13 1 1 A 25 25 LYS H H 25 8.608 8.821 -0.213 1
1 214 . 13 1 1 A 25 25 LYS CA C 25 59.831 59.051 0.780 1
1 215 . 13 1 1 A 25 25 LYS HA H 25 2.994 3.438 -0.444 1
1 216 . 13 1 1 A 25 25 LYS CB C 25 31.771 32.642 -0.871 1
1 228 . 13 1 1 A 25 25 LYS C C 25 178.888 178.376 0.512 1
1 229 . 13 1 1 A 26 26 ALA CA C 26 54.777 55.291 -0.514 1
1 230 . 13 1 1 A 26 26 ALA HA H 26 4.073 4.065 0.008 1
1 231 . 13 1 1 A 26 26 ALA CB C 26 18.221 18.475 -0.254 1
1 235 . 13 1 1 A 26 26 ALA C C 26 180.193 179.840 0.353 1
1 236 . 13 1 1 A 27 27 HIS N N 27 115.655 116.080 -0.425 1
1 237 . 13 1 1 A 27 27 HIS H H 27 6.808 8.139 -1.331 1
1 238 . 13 1 1 A 27 27 HIS CA C 27 56.597 59.122 -2.525 1
1 239 . 13 1 1 A 27 27 HIS HA H 27 4.441 4.346 0.095 1
1 240 . 13 1 1 A 27 27 HIS CB C 27 31.644 29.910 1.734 1
1 247 . 13 1 1 A 27 27 HIS C C 27 178.584 177.254 1.330 1
1 248 . 13 1 1 A 28 28 LEU N N 28 121.599 120.460 1.139 1
1 249 . 13 1 1 A 28 28 LEU H H 28 7.008 7.370 -0.362 1
1 250 . 13 1 1 A 28 28 LEU CA C 28 57.764 57.493 0.271 1
1 251 . 13 1 1 A 28 28 LEU HA H 28 3.280 2.679 0.601 1
1 252 . 13 1 1 A 28 28 LEU CB C 28 40.215 41.466 -1.251 1
1 265 . 13 1 1 A 28 28 LEU C C 28 177.435 177.787 -0.352 1
1 266 . 13 1 1 A 29 29 ALA N N 29 121.543 120.443 1.100 1
1 267 . 13 1 1 A 29 29 ALA H H 29 8.100 8.697 -0.597 1
1 268 . 13 1 1 A 29 29 ALA CA C 29 55.208 55.672 -0.464 1
1 269 . 13 1 1 A 29 29 ALA HA H 29 4.148 3.956 0.192 1
1 270 . 13 1 1 A 29 29 ALA CB C 29 17.731 18.294 -0.563 1
1 274 . 13 1 1 A 29 29 ALA C C 29 180.709 179.284 1.425 1
1 275 . 13 1 1 A 30 30 GLN N N 30 116.397 118.114 -1.717 1
1 276 . 13 1 1 A 30 30 GLN H H 30 7.564 8.311 -0.747 1
1 277 . 13 1 1 A 30 30 GLN CA C 30 58.469 58.703 -0.234 1
1 278 . 13 1 1 A 30 30 GLN HA H 30 3.997 3.980 0.017 1
1 279 . 13 1 1 A 30 30 GLN CB C 30 28.395 28.569 -0.174 1
1 288 . 13 1 1 A 30 30 GLN C C 30 178.538 178.318 0.220 1
1 289 . 13 1 1 A 31 31 HIS N N 31 119.006 119.650 -0.644 1
1 290 . 13 1 1 A 31 31 HIS H H 31 7.685 8.050 -0.365 1
1 291 . 13 1 1 A 31 31 HIS CA C 31 59.033 59.361 -0.328 1
1 292 . 13 1 1 A 31 31 HIS HA H 31 4.262 4.200 0.062 1
1 293 . 13 1 1 A 31 31 HIS CB C 31 28.627 29.988 -1.361 1
1 300 . 13 1 1 A 31 31 HIS C C 31 177.956 177.228 0.728 1
1 301 . 13 1 1 A 32 32 GLN N N 32 119.870 117.470 2.400 1
1 302 . 13 1 1 A 32 32 GLN H H 32 8.809 8.418 0.391 1
1 303 . 13 1 1 A 32 32 GLN CA C 32 59.611 59.210 0.401 1
1 304 . 13 1 1 A 32 32 GLN HA H 32 3.747 3.697 0.050 1
1 305 . 13 1 1 A 32 32 GLN CB C 32 28.255 28.300 -0.045 1
1 314 . 13 1 1 A 32 32 GLN C C 32 177.728 178.375 -0.647 1
1 315 . 13 1 1 A 33 33 LYS N N 33 116.864 119.751 -2.887 1
1 316 . 13 1 1 A 33 33 LYS H H 33 7.108 8.004 -0.896 1
1 317 . 13 1 1 A 33 33 LYS CA C 33 58.613 59.018 -0.405 1
1 318 . 13 1 1 A 33 33 LYS HA H 33 4.149 3.956 0.193 1
1 319 . 13 1 1 A 33 33 LYS CB C 33 32.203 32.223 -0.020 1
1 331 . 13 1 1 A 33 33 LYS C C 33 178.099 179.137 -1.038 1
1 332 . 13 1 1 A 34 34 THR N N 34 109.562 114.981 -5.419 1
1 333 . 13 1 1 A 34 34 THR H H 34 7.736 8.185 -0.449 1
1 334 . 13 1 1 A 34 34 THR CA C 34 63.792 64.130 -0.338 1
1 335 . 13 1 1 A 34 34 THR HA H 34 4.131 4.029 0.102 1
1 336 . 13 1 1 A 34 34 THR CB C 34 69.387 68.725 0.662 1
1 342 . 13 1 1 A 34 34 THR C C 34 175.335 174.233 1.102 1
1 343 . 13 1 1 A 35 35 HIS N N 35 118.240 119.274 -1.034 1
1 344 . 13 1 1 A 35 35 HIS H H 35 7.156 8.131 -0.975 1
1 345 . 13 1 1 A 35 35 HIS CA C 35 55.103 55.197 -0.094 1
1 346 . 13 1 1 A 35 35 HIS HA H 35 4.972 4.707 0.265 1
1 347 . 13 1 1 A 35 35 HIS CB C 35 28.657 30.652 -1.995 1
1 354 . 13 1 1 A 35 35 HIS C C 35 175.393 174.833 0.560 1
1 355 . 13 1 1 A 36 36 THR N N 36 113.040 118.191 -5.151 1
1 356 . 13 1 1 A 36 36 THR H H 36 7.839 8.661 -0.822 1
1 357 . 13 1 1 A 36 36 THR CA C 36 61.871 64.958 -3.087 1
1 358 . 13 1 1 A 36 36 THR HA H 36 4.369 3.749 0.620 1
1 359 . 13 1 1 A 36 36 THR CB C 36 69.836 68.575 1.261 1
1 365 . 13 1 1 A 36 36 THR C C 36 175.280 175.312 -0.032 1
1 366 . 13 1 1 A 37 37 GLY CA C 37 45.249 45.392 -0.143 1
1 367 . 13 1 1 A 37 37 GLY HA2 H 37 4.008 4.171 -0.163 1
1 368 . 13 1 1 A 37 37 GLY HA3 H 37 4.008 4.173 -0.165 1
1 369 . 13 1 1 A 37 37 GLY C C 37 174.005 173.334 0.671 1
1 370 . 13 1 1 A 38 38 GLU N N 38 120.596 116.271 4.325 1
1 371 . 13 1 1 A 38 38 GLU H H 38 8.130 7.662 0.468 1
1 372 . 13 1 1 A 38 38 GLU CA C 38 56.422 54.725 1.697 1
1 373 . 13 1 1 A 38 38 GLU HA H 38 4.265 4.900 -0.635 1
1 374 . 13 1 1 A 38 38 GLU CB C 38 30.578 33.443 -2.865 1
1 380 . 13 1 1 A 38 38 GLU C C 38 176.250 174.418 1.832 1
1 381 . 13 1 1 A 39 39 LYS N N 39 123.746 121.784 1.962 1
1 382 . 13 1 1 A 39 39 LYS H H 39 8.424 8.686 -0.262 1
1 383 . 13 1 1 A 39 39 LYS CA C 39 54.157 53.115 1.042 1
1 384 . 13 1 1 A 39 39 LYS HA H 39 4.612 4.651 -0.039 1
1 385 . 13 1 1 A 39 39 LYS CB C 39 32.575 35.968 -3.393 1
1 395 . 13 1 1 A 39 39 LYS C C 39 174.466 174.445 0.021 1
1 396 . 13 1 1 A 40 40 PRO CA C 40 63.253 62.447 0.806 1
1 397 . 13 1 1 A 40 40 PRO HA H 40 4.480 4.596 -0.116 1
1 398 . 13 1 1 A 40 40 PRO CB C 40 32.250 32.600 -0.350 1
1 406 . 13 1 1 A 42 42 GLY N N 42 110.630 109.556 1.074 1
1 407 . 13 1 1 A 42 42 GLY H H 42 8.218 8.647 -0.429 1
1 408 . 13 1 1 A 42 42 GLY CA C 42 44.674 47.479 -2.805 1
1 409 . 13 1 1 A 42 42 GLY HA2 H 42 4.116 3.853 0.263 1
1 410 . 13 1 1 A 42 42 GLY HA3 H 42 4.165 3.853 0.312 1
1 411 . 13 1 1 A 43 43 PRO CA C 43 63.242 62.717 0.525 1
1 412 . 13 1 1 A 43 43 PRO HA H 43 4.487 4.566 -0.079 1
1 413 . 13 1 1 A 43 43 PRO CB C 43 32.343 31.976 0.367 1
1 420 . 13 1 1 A 44 44 SER N N 44 116.476 115.218 1.258 1
1 421 . 13 1 1 A 44 44 SER H H 44 8.466 8.495 -0.029 1
1 422 . 13 1 1 A 44 44 SER CA C 44 58.347 58.166 0.181 1
1 423 . 13 1 1 A 44 44 SER HA H 44 4.479 4.392 0.087 1
1 424 . 13 1 1 A 44 44 SER CB C 44 64.148 63.369 0.779 1
1 426 . 13 1 1 A 45 45 SER CA C 45 58.438 56.156 2.282 1
1 427 . 13 1 1 A 45 45 SER HA H 45 4.493 4.839 -0.346 1
1 428 . 13 1 1 A 45 45 SER CB C 45 63.960 65.907 -1.947 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.478 44.286 1.192 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.042 4.075 -0.033 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.042 4.078 -0.036 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.517 173.812 0.705 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.852 117.263 -4.411 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.150 8.183 -0.033 1
1 7 . 14 1 1 A 8 8 THR CA C 8 62.463 61.408 1.055 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.364 4.522 -0.158 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.776 68.906 0.870 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.241 174.439 0.802 1
1 16 . 14 1 1 A 9 9 GLY N N 9 111.036 110.432 0.604 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.423 7.608 0.815 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.273 44.201 1.072 1
1 19 . 14 1 1 A 9 9 GLY HA2 H 9 3.918 4.092 -0.174 1
1 20 . 14 1 1 A 9 9 GLY HA3 H 9 3.965 4.094 -0.129 1
1 21 . 14 1 1 A 9 9 GLY C C 9 174.013 173.002 1.011 1
1 22 . 14 1 1 A 10 10 GLU N N 10 120.348 119.861 0.487 1
1 23 . 14 1 1 A 10 10 GLU H H 10 8.209 8.434 -0.225 1
1 24 . 14 1 1 A 10 10 GLU CA C 10 56.820 55.595 1.225 1
1 25 . 14 1 1 A 10 10 GLU HA H 10 4.193 4.571 -0.378 1
1 26 . 14 1 1 A 10 10 GLU CB C 10 30.457 30.680 -0.223 1
1 32 . 14 1 1 A 10 10 GLU C C 10 176.284 176.331 -0.047 1
1 33 . 14 1 1 A 11 11 LYS N N 11 121.889 125.455 -3.566 1
1 34 . 14 1 1 A 11 11 LYS H H 11 8.297 8.574 -0.277 1
1 35 . 14 1 1 A 11 11 LYS CA C 11 53.828 55.007 -1.179 1
1 36 . 14 1 1 A 11 11 LYS HA H 11 4.504 4.234 0.270 1
1 37 . 14 1 1 A 11 11 LYS CB C 11 32.938 32.015 0.923 1
1 48 . 14 1 1 A 12 12 PRO CA C 12 63.404 64.131 -0.727 1
1 49 . 14 1 1 A 12 12 PRO HA H 12 4.258 4.337 -0.079 1
1 50 . 14 1 1 A 12 12 PRO CB C 12 32.224 31.175 1.049 1
1 59 . 14 1 1 A 12 12 PRO C C 12 176.340 175.687 0.653 1
1 60 . 14 1 1 A 13 13 TYR N N 13 118.367 118.709 -0.342 1
1 61 . 14 1 1 A 13 13 TYR H H 13 7.933 7.377 0.556 1
1 62 . 14 1 1 A 13 13 TYR CA C 13 57.250 57.059 0.191 1
1 63 . 14 1 1 A 13 13 TYR HA H 13 4.664 5.052 -0.388 1
1 64 . 14 1 1 A 13 13 TYR CB C 13 38.486 40.271 -1.785 1
1 75 . 14 1 1 A 13 13 TYR C C 13 174.622 174.593 0.029 1
1 76 . 14 1 1 A 14 14 GLU N N 14 124.142 124.324 -0.182 1
1 77 . 14 1 1 A 14 14 GLU H H 14 8.524 9.042 -0.518 1
1 78 . 14 1 1 A 14 14 GLU CA C 14 55.138 55.261 -0.123 1
1 79 . 14 1 1 A 14 14 GLU HA H 14 4.883 5.041 -0.158 1
1 80 . 14 1 1 A 14 14 GLU CB C 14 32.979 33.577 -0.598 1
1 86 . 14 1 1 A 14 14 GLU C C 14 175.112 174.953 0.159 1
1 87 . 14 1 1 A 15 15 CYS N N 15 126.468 125.861 0.607 1
1 88 . 14 1 1 A 15 15 CYS H H 15 9.176 9.039 0.137 1
1 89 . 14 1 1 A 15 15 CYS CA C 15 59.621 58.987 0.634 1
1 90 . 14 1 1 A 15 15 CYS HA H 15 4.549 4.754 -0.205 1
1 91 . 14 1 1 A 15 15 CYS CB C 15 29.673 29.465 0.208 1
1 94 . 14 1 1 A 15 15 CYS C C 15 177.028 176.242 0.786 1
1 95 . 14 1 1 A 16 16 LYS N N 16 130.332 122.214 8.118 1
1 96 . 14 1 1 A 16 16 LYS H H 16 9.220 8.590 0.630 1
1 97 . 14 1 1 A 16 16 LYS CA C 16 57.744 57.107 0.637 1
1 98 . 14 1 1 A 16 16 LYS HA H 16 4.284 4.556 -0.272 1
1 99 . 14 1 1 A 16 16 LYS CB C 16 32.162 34.096 -1.934 1
1 111 . 14 1 1 A 16 16 LYS C C 16 177.052 178.543 -1.491 1
1 112 . 14 1 1 A 17 17 VAL N N 17 121.440 120.041 1.399 1
1 113 . 14 1 1 A 17 17 VAL H H 17 8.817 7.569 1.248 1
1 114 . 14 1 1 A 17 17 VAL CA C 17 65.126 66.520 -1.394 1
1 115 . 14 1 1 A 17 17 VAL HA H 17 3.787 3.490 0.297 1
1 116 . 14 1 1 A 17 17 VAL CB C 17 32.790 31.407 1.383 1
1 126 . 14 1 1 A 17 17 VAL C C 17 177.095 177.649 -0.554 1
1 127 . 14 1 1 A 18 18 CYS N N 18 116.697 115.893 0.804 1
1 128 . 14 1 1 A 18 18 CYS H H 18 8.024 8.043 -0.019 1
1 129 . 14 1 1 A 18 18 CYS CA C 18 58.412 59.586 -1.174 1
1 130 . 14 1 1 A 18 18 CYS HA H 18 5.148 4.523 0.625 1
1 131 . 14 1 1 A 18 18 CYS CB C 18 32.282 29.042 3.240 1
1 134 . 14 1 1 A 18 18 CYS C C 18 175.649 174.870 0.779 1
1 135 . 14 1 1 A 19 19 SER N N 19 115.473 112.858 2.615 1
1 136 . 14 1 1 A 19 19 SER H H 19 8.025 8.144 -0.119 1
1 137 . 14 1 1 A 19 19 SER CA C 19 61.107 59.511 1.596 1
1 138 . 14 1 1 A 19 19 SER HA H 19 4.344 4.564 -0.220 1
1 139 . 14 1 1 A 19 19 SER CB C 19 62.187 60.857 1.330 1
1 142 . 14 1 1 A 19 19 SER C C 19 173.220 172.602 0.618 1
1 143 . 14 1 1 A 20 20 LYS N N 20 123.593 120.333 3.260 1
1 144 . 14 1 1 A 20 20 LYS H H 20 8.026 7.717 0.309 1
1 145 . 14 1 1 A 20 20 LYS CA C 20 58.115 55.052 3.063 1
1 146 . 14 1 1 A 20 20 LYS HA H 20 4.007 4.644 -0.637 1
1 147 . 14 1 1 A 20 20 LYS CB C 20 33.813 34.401 -0.588 1
1 159 . 14 1 1 A 20 20 LYS C C 20 173.846 175.457 -1.611 1
1 160 . 14 1 1 A 21 21 ALA N N 21 124.213 128.061 -3.848 1
1 161 . 14 1 1 A 21 21 ALA H H 21 7.837 8.750 -0.913 1
1 162 . 14 1 1 A 21 21 ALA CA C 21 50.509 50.756 -0.247 1
1 163 . 14 1 1 A 21 21 ALA HA H 21 5.125 5.620 -0.495 1
1 164 . 14 1 1 A 21 21 ALA CB C 21 22.361 21.517 0.844 1
1 168 . 14 1 1 A 21 21 ALA C C 21 176.165 176.340 -0.175 1
1 169 . 14 1 1 A 22 22 PHE N N 22 116.773 117.273 -0.500 1
1 170 . 14 1 1 A 22 22 PHE H H 22 8.660 8.423 0.237 1
1 171 . 14 1 1 A 22 22 PHE CA C 22 57.228 56.673 0.555 1
1 172 . 14 1 1 A 22 22 PHE HA H 22 4.872 4.892 -0.020 1
1 173 . 14 1 1 A 22 22 PHE CB C 22 43.970 43.372 0.598 1
1 186 . 14 1 1 A 22 22 PHE C C 22 175.596 175.949 -0.353 1
1 187 . 14 1 1 A 23 23 THR N N 23 112.435 114.616 -2.181 1
1 188 . 14 1 1 A 23 23 THR H H 23 9.419 8.658 0.761 1
1 189 . 14 1 1 A 23 23 THR CA C 23 63.752 64.501 -0.749 1
1 190 . 14 1 1 A 23 23 THR HA H 23 4.538 4.356 0.182 1
1 191 . 14 1 1 A 23 23 THR CB C 23 69.791 69.054 0.737 1
1 197 . 14 1 1 A 23 23 THR C C 23 174.879 174.749 0.130 1
1 198 . 14 1 1 A 24 24 GLN N N 24 116.006 120.607 -4.601 1
1 199 . 14 1 1 A 24 24 GLN H H 24 7.257 7.968 -0.711 1
1 200 . 14 1 1 A 24 24 GLN CA C 24 53.833 54.347 -0.514 1
1 201 . 14 1 1 A 24 24 GLN HA H 24 4.721 4.755 -0.034 1
1 202 . 14 1 1 A 24 24 GLN CB C 24 31.008 31.408 -0.400 1
1 211 . 14 1 1 A 24 24 GLN C C 24 176.152 175.918 0.234 1
1 212 . 14 1 1 A 25 25 LYS N N 25 127.585 120.973 6.612 1
1 213 . 14 1 1 A 25 25 LYS H H 25 8.608 8.603 0.005 1
1 214 . 14 1 1 A 25 25 LYS CA C 25 59.831 58.646 1.185 1
1 215 . 14 1 1 A 25 25 LYS HA H 25 2.994 3.050 -0.056 1
1 216 . 14 1 1 A 25 25 LYS CB C 25 31.771 31.887 -0.116 1
1 228 . 14 1 1 A 25 25 LYS C C 25 178.888 178.493 0.395 1
1 229 . 14 1 1 A 26 26 ALA CA C 26 54.777 55.055 -0.278 1
1 230 . 14 1 1 A 26 26 ALA HA H 26 4.073 4.000 0.073 1
1 231 . 14 1 1 A 26 26 ALA CB C 26 18.221 18.314 -0.093 1
1 235 . 14 1 1 A 26 26 ALA C C 26 180.193 179.822 0.371 1
1 236 . 14 1 1 A 27 27 HIS N N 27 115.655 117.797 -2.142 1
1 237 . 14 1 1 A 27 27 HIS H H 27 6.808 7.614 -0.806 1
1 238 . 14 1 1 A 27 27 HIS CA C 27 56.597 59.693 -3.096 1
1 239 . 14 1 1 A 27 27 HIS HA H 27 4.441 4.262 0.179 1
1 240 . 14 1 1 A 27 27 HIS CB C 27 31.644 30.271 1.373 1
1 247 . 14 1 1 A 27 27 HIS C C 27 178.584 176.252 2.332 1
1 248 . 14 1 1 A 28 28 LEU N N 28 121.599 120.059 1.540 1
1 249 . 14 1 1 A 28 28 LEU H H 28 7.008 7.316 -0.308 1
1 250 . 14 1 1 A 28 28 LEU CA C 28 57.764 57.661 0.103 1
1 251 . 14 1 1 A 28 28 LEU HA H 28 3.280 2.860 0.420 1
1 252 . 14 1 1 A 28 28 LEU CB C 28 40.215 41.664 -1.449 1
1 265 . 14 1 1 A 28 28 LEU C C 28 177.435 177.824 -0.389 1
1 266 . 14 1 1 A 29 29 ALA N N 29 121.543 120.294 1.249 1
1 267 . 14 1 1 A 29 29 ALA H H 29 8.100 8.553 -0.453 1
1 268 . 14 1 1 A 29 29 ALA CA C 29 55.208 55.542 -0.334 1
1 269 . 14 1 1 A 29 29 ALA HA H 29 4.148 4.080 0.068 1
1 270 . 14 1 1 A 29 29 ALA CB C 29 17.731 18.263 -0.532 1
1 274 . 14 1 1 A 29 29 ALA C C 29 180.709 180.230 0.479 1
1 275 . 14 1 1 A 30 30 GLN N N 30 116.397 117.131 -0.734 1
1 276 . 14 1 1 A 30 30 GLN H H 30 7.564 8.048 -0.484 1
1 277 . 14 1 1 A 30 30 GLN CA C 30 58.469 58.316 0.153 1
1 278 . 14 1 1 A 30 30 GLN HA H 30 3.997 4.006 -0.009 1
1 279 . 14 1 1 A 30 30 GLN CB C 30 28.395 29.128 -0.733 1
1 288 . 14 1 1 A 30 30 GLN C C 30 178.538 177.696 0.842 1
1 289 . 14 1 1 A 31 31 HIS N N 31 119.006 121.275 -2.269 1
1 290 . 14 1 1 A 31 31 HIS H H 31 7.685 8.202 -0.517 1
1 291 . 14 1 1 A 31 31 HIS CA C 31 59.033 59.096 -0.063 1
1 292 . 14 1 1 A 31 31 HIS HA H 31 4.262 4.159 0.103 1
1 293 . 14 1 1 A 31 31 HIS CB C 31 28.627 30.045 -1.418 1
1 300 . 14 1 1 A 31 31 HIS C C 31 177.956 176.956 1.000 1
1 301 . 14 1 1 A 32 32 GLN N N 32 119.870 117.870 2.000 1
1 302 . 14 1 1 A 32 32 GLN H H 32 8.809 8.682 0.127 1
1 303 . 14 1 1 A 32 32 GLN CA C 32 59.611 58.815 0.796 1
1 304 . 14 1 1 A 32 32 GLN HA H 32 3.747 3.785 -0.038 1
1 305 . 14 1 1 A 32 32 GLN CB C 32 28.255 28.334 -0.079 1
1 314 . 14 1 1 A 32 32 GLN C C 32 177.728 177.988 -0.260 1
1 315 . 14 1 1 A 33 33 LYS N N 33 116.864 118.126 -1.262 1
1 316 . 14 1 1 A 33 33 LYS H H 33 7.108 7.941 -0.833 1
1 317 . 14 1 1 A 33 33 LYS CA C 33 58.613 59.127 -0.514 1
1 318 . 14 1 1 A 33 33 LYS HA H 33 4.149 4.048 0.101 1
1 319 . 14 1 1 A 33 33 LYS CB C 33 32.203 32.213 -0.010 1
1 331 . 14 1 1 A 33 33 LYS C C 33 178.099 178.686 -0.587 1
1 332 . 14 1 1 A 34 34 THR N N 34 109.562 114.693 -5.131 1
1 333 . 14 1 1 A 34 34 THR H H 34 7.736 8.130 -0.394 1
1 334 . 14 1 1 A 34 34 THR CA C 34 63.792 65.057 -1.265 1
1 335 . 14 1 1 A 34 34 THR HA H 34 4.131 4.078 0.053 1
1 336 . 14 1 1 A 34 34 THR CB C 34 69.387 68.719 0.668 1
1 342 . 14 1 1 A 34 34 THR C C 34 175.335 175.001 0.334 1
1 343 . 14 1 1 A 35 35 HIS N N 35 118.240 118.701 -0.461 1
1 344 . 14 1 1 A 35 35 HIS H H 35 7.156 7.104 0.052 1
1 345 . 14 1 1 A 35 35 HIS CA C 35 55.103 56.318 -1.215 1
1 346 . 14 1 1 A 35 35 HIS HA H 35 4.972 4.507 0.465 1
1 347 . 14 1 1 A 35 35 HIS CB C 35 28.657 30.216 -1.559 1
1 354 . 14 1 1 A 35 35 HIS C C 35 175.393 175.253 0.140 1
1 355 . 14 1 1 A 36 36 THR N N 36 113.040 116.024 -2.984 1
1 356 . 14 1 1 A 36 36 THR H H 36 7.839 8.630 -0.791 1
1 357 . 14 1 1 A 36 36 THR CA C 36 61.871 60.322 1.549 1
1 358 . 14 1 1 A 36 36 THR HA H 36 4.369 5.083 -0.714 1
1 359 . 14 1 1 A 36 36 THR CB C 36 69.836 71.024 -1.188 1
1 365 . 14 1 1 A 36 36 THR C C 36 175.280 174.464 0.816 1
1 366 . 14 1 1 A 37 37 GLY CA C 37 45.249 46.000 -0.751 1
1 367 . 14 1 1 A 37 37 GLY HA2 H 37 4.008 4.154 -0.146 1
1 368 . 14 1 1 A 37 37 GLY HA3 H 37 4.008 4.156 -0.148 1
1 369 . 14 1 1 A 37 37 GLY C C 37 174.005 173.377 0.628 1
1 370 . 14 1 1 A 38 38 GLU N N 38 120.596 122.657 -2.061 1
1 371 . 14 1 1 A 38 38 GLU H H 38 8.130 8.649 -0.519 1
1 372 . 14 1 1 A 38 38 GLU CA C 38 56.422 55.921 0.501 1
1 373 . 14 1 1 A 38 38 GLU HA H 38 4.265 4.677 -0.412 1
1 374 . 14 1 1 A 38 38 GLU CB C 38 30.578 29.889 0.689 1
1 380 . 14 1 1 A 38 38 GLU C C 38 176.250 175.890 0.360 1
1 381 . 14 1 1 A 39 39 LYS N N 39 123.746 119.756 3.990 1
1 382 . 14 1 1 A 39 39 LYS H H 39 8.424 7.306 1.118 1
1 383 . 14 1 1 A 39 39 LYS CA C 39 54.157 55.341 -1.184 1
1 384 . 14 1 1 A 39 39 LYS HA H 39 4.612 4.440 0.172 1
1 385 . 14 1 1 A 39 39 LYS CB C 39 32.575 32.261 0.314 1
1 395 . 14 1 1 A 39 39 LYS C C 39 174.466 176.084 -1.618 1
1 396 . 14 1 1 A 40 40 PRO CA C 40 63.253 62.587 0.666 1
1 397 . 14 1 1 A 40 40 PRO HA H 40 4.480 4.633 -0.153 1
1 398 . 14 1 1 A 40 40 PRO CB C 40 32.250 32.759 -0.509 1
1 406 . 14 1 1 A 42 42 GLY N N 42 110.630 114.998 -4.368 1
1 407 . 14 1 1 A 42 42 GLY H H 42 8.218 8.754 -0.536 1
1 408 . 14 1 1 A 42 42 GLY CA C 42 44.674 44.984 -0.310 1
1 409 . 14 1 1 A 42 42 GLY HA2 H 42 4.116 4.114 0.002 1
1 410 . 14 1 1 A 42 42 GLY HA3 H 42 4.165 4.115 0.050 1
1 411 . 14 1 1 A 43 43 PRO CA C 43 63.242 64.019 -0.777 1
1 412 . 14 1 1 A 43 43 PRO HA H 43 4.487 4.507 -0.020 1
1 413 . 14 1 1 A 43 43 PRO CB C 43 32.343 31.905 0.438 1
1 420 . 14 1 1 A 44 44 SER N N 44 116.476 113.285 3.191 1
1 421 . 14 1 1 A 44 44 SER H H 44 8.466 7.725 0.741 1
1 422 . 14 1 1 A 44 44 SER CA C 44 58.347 57.023 1.324 1
1 423 . 14 1 1 A 44 44 SER HA H 44 4.479 4.606 -0.127 1
1 424 . 14 1 1 A 44 44 SER CB C 44 64.148 66.251 -2.103 1
1 426 . 14 1 1 A 45 45 SER CA C 45 58.438 58.962 -0.524 1
1 427 . 14 1 1 A 45 45 SER HA H 45 4.493 4.119 0.374 1
1 428 . 14 1 1 A 45 45 SER CB C 45 63.960 61.764 2.196 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.478 44.200 1.278 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.042 4.055 -0.013 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.042 4.059 -0.017 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.517 172.733 1.784 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.852 111.083 1.769 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.150 8.330 -0.180 1
1 7 . 15 1 1 A 8 8 THR CA C 8 62.463 59.868 2.595 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.364 4.887 -0.523 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.776 71.880 -2.104 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.241 174.752 0.489 1
1 16 . 15 1 1 A 9 9 GLY N N 9 111.036 110.958 0.078 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.423 8.625 -0.202 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.273 45.076 0.197 1
1 19 . 15 1 1 A 9 9 GLY HA2 H 9 3.918 3.923 -0.005 1
1 20 . 15 1 1 A 9 9 GLY HA3 H 9 3.965 3.930 0.035 1
1 21 . 15 1 1 A 9 9 GLY C C 9 174.013 173.279 0.734 1
1 22 . 15 1 1 A 10 10 GLU N N 10 120.348 119.943 0.405 1
1 23 . 15 1 1 A 10 10 GLU H H 10 8.209 8.504 -0.295 1
1 24 . 15 1 1 A 10 10 GLU CA C 10 56.820 55.409 1.411 1
1 25 . 15 1 1 A 10 10 GLU HA H 10 4.193 4.754 -0.561 1
1 26 . 15 1 1 A 10 10 GLU CB C 10 30.457 30.472 -0.015 1
1 32 . 15 1 1 A 10 10 GLU C C 10 176.284 175.217 1.067 1
1 33 . 15 1 1 A 11 11 LYS N N 11 121.889 125.193 -3.304 1
1 34 . 15 1 1 A 11 11 LYS H H 11 8.297 8.268 0.029 1
1 35 . 15 1 1 A 11 11 LYS CA C 11 53.828 53.283 0.545 1
1 36 . 15 1 1 A 11 11 LYS HA H 11 4.504 4.761 -0.257 1
1 37 . 15 1 1 A 11 11 LYS CB C 11 32.938 32.902 0.036 1
1 48 . 15 1 1 A 12 12 PRO CA C 12 63.404 64.157 -0.753 1
1 49 . 15 1 1 A 12 12 PRO HA H 12 4.258 4.594 -0.336 1
1 50 . 15 1 1 A 12 12 PRO CB C 12 32.224 31.599 0.625 1
1 59 . 15 1 1 A 12 12 PRO C C 12 176.340 176.160 0.180 1
1 60 . 15 1 1 A 13 13 TYR N N 13 118.367 119.201 -0.834 1
1 61 . 15 1 1 A 13 13 TYR H H 13 7.933 7.740 0.193 1
1 62 . 15 1 1 A 13 13 TYR CA C 13 57.250 57.018 0.232 1
1 63 . 15 1 1 A 13 13 TYR HA H 13 4.664 4.782 -0.118 1
1 64 . 15 1 1 A 13 13 TYR CB C 13 38.486 36.986 1.500 1
1 75 . 15 1 1 A 13 13 TYR C C 13 174.622 174.806 -0.184 1
1 76 . 15 1 1 A 14 14 GLU N N 14 124.142 125.975 -1.833 1
1 77 . 15 1 1 A 14 14 GLU H H 14 8.524 8.631 -0.107 1
1 78 . 15 1 1 A 14 14 GLU CA C 14 55.138 54.808 0.330 1
1 79 . 15 1 1 A 14 14 GLU HA H 14 4.883 5.495 -0.612 1
1 80 . 15 1 1 A 14 14 GLU CB C 14 32.979 32.734 0.245 1
1 86 . 15 1 1 A 14 14 GLU C C 14 175.112 176.063 -0.951 1
1 87 . 15 1 1 A 15 15 CYS N N 15 126.468 125.930 0.538 1
1 88 . 15 1 1 A 15 15 CYS H H 15 9.176 9.283 -0.107 1
1 89 . 15 1 1 A 15 15 CYS CA C 15 59.621 59.403 0.218 1
1 90 . 15 1 1 A 15 15 CYS HA H 15 4.549 4.726 -0.177 1
1 91 . 15 1 1 A 15 15 CYS CB C 15 29.673 28.818 0.855 1
1 94 . 15 1 1 A 15 15 CYS C C 15 177.028 175.097 1.931 1
1 95 . 15 1 1 A 16 16 LYS N N 16 130.332 124.404 5.928 1
1 96 . 15 1 1 A 16 16 LYS H H 16 9.220 8.973 0.247 1
1 97 . 15 1 1 A 16 16 LYS CA C 16 57.744 56.588 1.156 1
1 98 . 15 1 1 A 16 16 LYS HA H 16 4.284 4.507 -0.223 1
1 99 . 15 1 1 A 16 16 LYS CB C 16 32.162 33.376 -1.214 1
1 111 . 15 1 1 A 16 16 LYS C C 16 177.052 177.728 -0.676 1
1 112 . 15 1 1 A 17 17 VAL N N 17 121.440 119.079 2.361 1
1 113 . 15 1 1 A 17 17 VAL H H 17 8.817 7.337 1.480 1
1 114 . 15 1 1 A 17 17 VAL CA C 17 65.126 65.401 -0.275 1
1 115 . 15 1 1 A 17 17 VAL HA H 17 3.787 3.722 0.065 1
1 116 . 15 1 1 A 17 17 VAL CB C 17 32.790 31.339 1.451 1
1 126 . 15 1 1 A 17 17 VAL C C 17 177.095 178.043 -0.948 1
1 127 . 15 1 1 A 18 18 CYS N N 18 116.697 116.524 0.173 1
1 128 . 15 1 1 A 18 18 CYS H H 18 8.024 8.080 -0.056 1
1 129 . 15 1 1 A 18 18 CYS CA C 18 58.412 59.569 -1.157 1
1 130 . 15 1 1 A 18 18 CYS HA H 18 5.148 4.463 0.685 1
1 131 . 15 1 1 A 18 18 CYS CB C 18 32.282 28.707 3.575 1
1 134 . 15 1 1 A 18 18 CYS C C 18 175.649 174.734 0.915 1
1 135 . 15 1 1 A 19 19 SER N N 19 115.473 112.996 2.477 1
1 136 . 15 1 1 A 19 19 SER H H 19 8.025 8.152 -0.127 1
1 137 . 15 1 1 A 19 19 SER CA C 19 61.107 59.491 1.616 1
1 138 . 15 1 1 A 19 19 SER HA H 19 4.344 4.554 -0.210 1
1 139 . 15 1 1 A 19 19 SER CB C 19 62.187 60.799 1.388 1
1 142 . 15 1 1 A 19 19 SER C C 19 173.220 172.743 0.477 1
1 143 . 15 1 1 A 20 20 LYS N N 20 123.593 120.388 3.205 1
1 144 . 15 1 1 A 20 20 LYS H H 20 8.026 7.801 0.225 1
1 145 . 15 1 1 A 20 20 LYS CA C 20 58.115 55.572 2.543 1
1 146 . 15 1 1 A 20 20 LYS HA H 20 4.007 4.615 -0.608 1
1 147 . 15 1 1 A 20 20 LYS CB C 20 33.813 34.008 -0.195 1
1 159 . 15 1 1 A 20 20 LYS C C 20 173.846 175.390 -1.544 1
1 160 . 15 1 1 A 21 21 ALA N N 21 124.213 127.361 -3.148 1
1 161 . 15 1 1 A 21 21 ALA H H 21 7.837 8.515 -0.678 1
1 162 . 15 1 1 A 21 21 ALA CA C 21 50.509 50.326 0.183 1
1 163 . 15 1 1 A 21 21 ALA HA H 21 5.125 5.666 -0.541 1
1 164 . 15 1 1 A 21 21 ALA CB C 21 22.361 21.553 0.808 1
1 168 . 15 1 1 A 21 21 ALA C C 21 176.165 176.154 0.011 1
1 169 . 15 1 1 A 22 22 PHE N N 22 116.773 117.427 -0.654 1
1 170 . 15 1 1 A 22 22 PHE H H 22 8.660 8.708 -0.048 1
1 171 . 15 1 1 A 22 22 PHE CA C 22 57.228 56.722 0.506 1
1 172 . 15 1 1 A 22 22 PHE HA H 22 4.872 5.108 -0.236 1
1 173 . 15 1 1 A 22 22 PHE CB C 22 43.970 44.039 -0.069 1
1 186 . 15 1 1 A 22 22 PHE C C 22 175.596 174.981 0.615 1
1 187 . 15 1 1 A 23 23 THR N N 23 112.435 112.287 0.148 1
1 188 . 15 1 1 A 23 23 THR H H 23 9.419 8.651 0.768 1
1 189 . 15 1 1 A 23 23 THR CA C 23 63.752 62.195 1.557 1
1 190 . 15 1 1 A 23 23 THR HA H 23 4.538 4.440 0.098 1
1 191 . 15 1 1 A 23 23 THR CB C 23 69.791 70.209 -0.418 1
1 197 . 15 1 1 A 23 23 THR C C 23 174.879 174.858 0.021 1
1 198 . 15 1 1 A 24 24 GLN N N 24 116.006 121.345 -5.339 1
1 199 . 15 1 1 A 24 24 GLN H H 24 7.257 8.036 -0.779 1
1 200 . 15 1 1 A 24 24 GLN CA C 24 53.833 54.644 -0.811 1
1 201 . 15 1 1 A 24 24 GLN HA H 24 4.721 4.904 -0.183 1
1 202 . 15 1 1 A 24 24 GLN CB C 24 31.008 30.807 0.201 1
1 211 . 15 1 1 A 24 24 GLN C C 24 176.152 176.462 -0.310 1
1 212 . 15 1 1 A 25 25 LYS N N 25 127.585 125.316 2.269 1
1 213 . 15 1 1 A 25 25 LYS H H 25 8.608 8.853 -0.245 1
1 214 . 15 1 1 A 25 25 LYS CA C 25 59.831 59.483 0.348 1
1 215 . 15 1 1 A 25 25 LYS HA H 25 2.994 3.461 -0.467 1
1 216 . 15 1 1 A 25 25 LYS CB C 25 31.771 31.815 -0.044 1
1 228 . 15 1 1 A 25 25 LYS C C 25 178.888 178.527 0.361 1
1 229 . 15 1 1 A 26 26 ALA CA C 26 54.777 54.837 -0.060 1
1 230 . 15 1 1 A 26 26 ALA HA H 26 4.073 4.010 0.063 1
1 231 . 15 1 1 A 26 26 ALA CB C 26 18.221 18.050 0.171 1
1 235 . 15 1 1 A 26 26 ALA C C 26 180.193 179.639 0.554 1
1 236 . 15 1 1 A 27 27 HIS N N 27 115.655 116.000 -0.345 1
1 237 . 15 1 1 A 27 27 HIS H H 27 6.808 7.896 -1.088 1
1 238 . 15 1 1 A 27 27 HIS CA C 27 56.597 59.953 -3.356 1
1 239 . 15 1 1 A 27 27 HIS HA H 27 4.441 4.261 0.180 1
1 240 . 15 1 1 A 27 27 HIS CB C 27 31.644 29.753 1.891 1
1 247 . 15 1 1 A 27 27 HIS C C 27 178.584 177.589 0.995 1
1 248 . 15 1 1 A 28 28 LEU N N 28 121.599 121.183 0.416 1
1 249 . 15 1 1 A 28 28 LEU H H 28 7.008 7.641 -0.633 1
1 250 . 15 1 1 A 28 28 LEU CA C 28 57.764 57.467 0.297 1
1 251 . 15 1 1 A 28 28 LEU HA H 28 3.280 2.926 0.354 1
1 252 . 15 1 1 A 28 28 LEU CB C 28 40.215 41.502 -1.287 1
1 265 . 15 1 1 A 28 28 LEU C C 28 177.435 178.061 -0.626 1
1 266 . 15 1 1 A 29 29 ALA N N 29 121.543 121.086 0.457 1
1 267 . 15 1 1 A 29 29 ALA H H 29 8.100 8.500 -0.400 1
1 268 . 15 1 1 A 29 29 ALA CA C 29 55.208 55.234 -0.026 1
1 269 . 15 1 1 A 29 29 ALA HA H 29 4.148 3.993 0.155 1
1 270 . 15 1 1 A 29 29 ALA CB C 29 17.731 17.944 -0.213 1
1 274 . 15 1 1 A 29 29 ALA C C 29 180.709 179.463 1.246 1
1 275 . 15 1 1 A 30 30 GLN N N 30 116.397 116.135 0.262 1
1 276 . 15 1 1 A 30 30 GLN H H 30 7.564 8.518 -0.954 1
1 277 . 15 1 1 A 30 30 GLN CA C 30 58.469 57.998 0.471 1
1 278 . 15 1 1 A 30 30 GLN HA H 30 3.997 4.064 -0.067 1
1 279 . 15 1 1 A 30 30 GLN CB C 30 28.395 27.559 0.836 1
1 288 . 15 1 1 A 30 30 GLN C C 30 178.538 178.049 0.489 1
1 289 . 15 1 1 A 31 31 HIS N N 31 119.006 119.960 -0.954 1
1 290 . 15 1 1 A 31 31 HIS H H 31 7.685 7.840 -0.155 1
1 291 . 15 1 1 A 31 31 HIS CA C 31 59.033 59.234 -0.201 1
1 292 . 15 1 1 A 31 31 HIS HA H 31 4.262 4.145 0.117 1
1 293 . 15 1 1 A 31 31 HIS CB C 31 28.627 29.709 -1.082 1
1 300 . 15 1 1 A 31 31 HIS C C 31 177.956 176.866 1.090 1
1 301 . 15 1 1 A 32 32 GLN N N 32 119.870 117.247 2.623 1
1 302 . 15 1 1 A 32 32 GLN H H 32 8.809 7.947 0.862 1
1 303 . 15 1 1 A 32 32 GLN CA C 32 59.611 59.024 0.587 1
1 304 . 15 1 1 A 32 32 GLN HA H 32 3.747 3.654 0.093 1
1 305 . 15 1 1 A 32 32 GLN CB C 32 28.255 28.271 -0.016 1
1 314 . 15 1 1 A 32 32 GLN C C 32 177.728 178.478 -0.750 1
1 315 . 15 1 1 A 33 33 LYS N N 33 116.864 119.572 -2.708 1
1 316 . 15 1 1 A 33 33 LYS H H 33 7.108 8.003 -0.895 1
1 317 . 15 1 1 A 33 33 LYS CA C 33 58.613 59.364 -0.751 1
1 318 . 15 1 1 A 33 33 LYS HA H 33 4.149 3.879 0.270 1
1 319 . 15 1 1 A 33 33 LYS CB C 33 32.203 32.332 -0.129 1
1 331 . 15 1 1 A 33 33 LYS C C 33 178.099 178.306 -0.207 1
1 332 . 15 1 1 A 34 34 THR N N 34 109.562 112.424 -2.862 1
1 333 . 15 1 1 A 34 34 THR H H 34 7.736 8.372 -0.636 1
1 334 . 15 1 1 A 34 34 THR CA C 34 63.792 65.303 -1.511 1
1 335 . 15 1 1 A 34 34 THR HA H 34 4.131 3.951 0.180 1
1 336 . 15 1 1 A 34 34 THR CB C 34 69.387 67.831 1.556 1
1 342 . 15 1 1 A 34 34 THR C C 34 175.335 176.964 -1.629 1
1 343 . 15 1 1 A 35 35 HIS N N 35 118.240 119.221 -0.981 1
1 344 . 15 1 1 A 35 35 HIS H H 35 7.156 7.983 -0.827 1
1 345 . 15 1 1 A 35 35 HIS CA C 35 55.103 59.304 -4.201 1
1 346 . 15 1 1 A 35 35 HIS HA H 35 4.972 4.190 0.782 1
1 347 . 15 1 1 A 35 35 HIS CB C 35 28.657 29.801 -1.144 1
1 354 . 15 1 1 A 35 35 HIS C C 35 175.393 177.617 -2.224 1
1 355 . 15 1 1 A 36 36 THR N N 36 113.040 114.807 -1.767 1
1 356 . 15 1 1 A 36 36 THR H H 36 7.839 8.016 -0.177 1
1 357 . 15 1 1 A 36 36 THR CA C 36 61.871 66.466 -4.595 1
1 358 . 15 1 1 A 36 36 THR HA H 36 4.369 3.827 0.542 1
1 359 . 15 1 1 A 36 36 THR CB C 36 69.836 68.600 1.236 1
1 365 . 15 1 1 A 36 36 THR C C 36 175.280 176.059 -0.779 1
1 366 . 15 1 1 A 37 37 GLY CA C 37 45.249 44.318 0.931 1
1 367 . 15 1 1 A 37 37 GLY HA2 H 37 4.008 4.048 -0.040 1
1 368 . 15 1 1 A 37 37 GLY HA3 H 37 4.008 4.055 -0.047 1
1 369 . 15 1 1 A 37 37 GLY C C 37 174.005 172.885 1.120 1
1 370 . 15 1 1 A 38 38 GLU N N 38 120.596 122.627 -2.031 1
1 371 . 15 1 1 A 38 38 GLU H H 38 8.130 8.715 -0.585 1
1 372 . 15 1 1 A 38 38 GLU CA C 38 56.422 55.453 0.969 1
1 373 . 15 1 1 A 38 38 GLU HA H 38 4.265 5.097 -0.832 1
1 374 . 15 1 1 A 38 38 GLU CB C 38 30.578 32.761 -2.183 1
1 380 . 15 1 1 A 38 38 GLU C C 38 176.250 174.663 1.587 1
1 381 . 15 1 1 A 39 39 LYS N N 39 123.746 125.745 -1.999 1
1 382 . 15 1 1 A 39 39 LYS H H 39 8.424 8.601 -0.177 1
1 383 . 15 1 1 A 39 39 LYS CA C 39 54.157 54.277 -0.120 1
1 384 . 15 1 1 A 39 39 LYS HA H 39 4.612 4.713 -0.101 1
1 385 . 15 1 1 A 39 39 LYS CB C 39 32.575 36.316 -3.741 1
1 395 . 15 1 1 A 39 39 LYS C C 39 174.466 173.800 0.666 1
1 396 . 15 1 1 A 40 40 PRO CA C 40 63.253 62.825 0.428 1
1 397 . 15 1 1 A 40 40 PRO HA H 40 4.480 4.670 -0.190 1
1 398 . 15 1 1 A 40 40 PRO CB C 40 32.250 31.688 0.562 1
1 406 . 15 1 1 A 42 42 GLY N N 42 110.630 114.430 -3.800 1
1 407 . 15 1 1 A 42 42 GLY H H 42 8.218 8.666 -0.448 1
1 408 . 15 1 1 A 42 42 GLY CA C 42 44.674 43.861 0.813 1
1 409 . 15 1 1 A 42 42 GLY HA2 H 42 4.116 4.379 -0.263 1
1 410 . 15 1 1 A 42 42 GLY HA3 H 42 4.165 4.381 -0.216 1
1 411 . 15 1 1 A 43 43 PRO CA C 43 63.242 62.661 0.581 1
1 412 . 15 1 1 A 43 43 PRO HA H 43 4.487 4.684 -0.197 1
1 413 . 15 1 1 A 43 43 PRO CB C 43 32.343 31.518 0.825 1
1 420 . 15 1 1 A 44 44 SER N N 44 116.476 115.064 1.412 1
1 421 . 15 1 1 A 44 44 SER H H 44 8.466 8.403 0.063 1
1 422 . 15 1 1 A 44 44 SER CA C 44 58.347 56.627 1.720 1
1 423 . 15 1 1 A 44 44 SER HA H 44 4.479 5.201 -0.722 1
1 424 . 15 1 1 A 44 44 SER CB C 44 64.148 65.758 -1.610 1
1 426 . 15 1 1 A 45 45 SER CA C 45 58.438 58.865 -0.427 1
1 427 . 15 1 1 A 45 45 SER HA H 45 4.493 4.571 -0.078 1
1 428 . 15 1 1 A 45 45 SER CB C 45 63.960 64.418 -0.458 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.478 44.925 0.553 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.042 4.215 -0.173 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.042 4.217 -0.175 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.517 173.786 0.731 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.852 121.517 -8.665 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.150 8.758 -0.608 1
1 7 . 16 1 1 A 8 8 THR CA C 8 62.463 62.182 0.281 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.364 4.467 -0.103 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.776 67.910 1.866 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.241 173.728 1.513 1
1 16 . 16 1 1 A 9 9 GLY N N 9 111.036 109.157 1.879 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.423 7.411 1.012 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.273 44.112 1.161 1
1 19 . 16 1 1 A 9 9 GLY HA2 H 9 3.918 3.997 -0.079 1
1 20 . 16 1 1 A 9 9 GLY HA3 H 9 3.965 3.999 -0.034 1
1 21 . 16 1 1 A 9 9 GLY C C 9 174.013 171.845 2.168 1
1 22 . 16 1 1 A 10 10 GLU N N 10 120.348 120.500 -0.152 1
1 23 . 16 1 1 A 10 10 GLU H H 10 8.209 8.656 -0.447 1
1 24 . 16 1 1 A 10 10 GLU CA C 10 56.820 55.416 1.404 1
1 25 . 16 1 1 A 10 10 GLU HA H 10 4.193 4.784 -0.591 1
1 26 . 16 1 1 A 10 10 GLU CB C 10 30.457 29.962 0.495 1
1 32 . 16 1 1 A 10 10 GLU C C 10 176.284 174.672 1.612 1
1 33 . 16 1 1 A 11 11 LYS N N 11 121.889 123.785 -1.896 1
1 34 . 16 1 1 A 11 11 LYS H H 11 8.297 8.013 0.284 1
1 35 . 16 1 1 A 11 11 LYS CA C 11 53.828 53.176 0.652 1
1 36 . 16 1 1 A 11 11 LYS HA H 11 4.504 4.823 -0.319 1
1 37 . 16 1 1 A 11 11 LYS CB C 11 32.938 34.412 -1.474 1
1 48 . 16 1 1 A 12 12 PRO CA C 12 63.404 64.396 -0.992 1
1 49 . 16 1 1 A 12 12 PRO HA H 12 4.258 4.302 -0.044 1
1 50 . 16 1 1 A 12 12 PRO CB C 12 32.224 31.867 0.357 1
1 59 . 16 1 1 A 12 12 PRO C C 12 176.340 175.869 0.471 1
1 60 . 16 1 1 A 13 13 TYR N N 13 118.367 118.254 0.113 1
1 61 . 16 1 1 A 13 13 TYR H H 13 7.933 7.696 0.237 1
1 62 . 16 1 1 A 13 13 TYR CA C 13 57.250 56.986 0.264 1
1 63 . 16 1 1 A 13 13 TYR HA H 13 4.664 5.246 -0.582 1
1 64 . 16 1 1 A 13 13 TYR CB C 13 38.486 40.764 -2.278 1
1 75 . 16 1 1 A 13 13 TYR C C 13 174.622 174.575 0.047 1
1 76 . 16 1 1 A 14 14 GLU N N 14 124.142 124.236 -0.094 1
1 77 . 16 1 1 A 14 14 GLU H H 14 8.524 9.033 -0.509 1
1 78 . 16 1 1 A 14 14 GLU CA C 14 55.138 55.288 -0.150 1
1 79 . 16 1 1 A 14 14 GLU HA H 14 4.883 5.076 -0.193 1
1 80 . 16 1 1 A 14 14 GLU CB C 14 32.979 33.738 -0.759 1
1 86 . 16 1 1 A 14 14 GLU C C 14 175.112 175.078 0.034 1
1 87 . 16 1 1 A 15 15 CYS N N 15 126.468 125.597 0.871 1
1 88 . 16 1 1 A 15 15 CYS H H 15 9.176 9.469 -0.293 1
1 89 . 16 1 1 A 15 15 CYS CA C 15 59.621 59.407 0.214 1
1 90 . 16 1 1 A 15 15 CYS HA H 15 4.549 4.755 -0.206 1
1 91 . 16 1 1 A 15 15 CYS CB C 15 29.673 29.006 0.667 1
1 94 . 16 1 1 A 15 15 CYS C C 15 177.028 174.466 2.562 1
1 95 . 16 1 1 A 16 16 LYS N N 16 130.332 124.868 5.464 1
1 96 . 16 1 1 A 16 16 LYS H H 16 9.220 8.881 0.339 1
1 97 . 16 1 1 A 16 16 LYS CA C 16 57.744 57.605 0.139 1
1 98 . 16 1 1 A 16 16 LYS HA H 16 4.284 4.467 -0.183 1
1 99 . 16 1 1 A 16 16 LYS CB C 16 32.162 34.007 -1.845 1
1 111 . 16 1 1 A 16 16 LYS C C 16 177.052 179.017 -1.965 1
1 112 . 16 1 1 A 17 17 VAL N N 17 121.440 120.032 1.408 1
1 113 . 16 1 1 A 17 17 VAL H H 17 8.817 7.902 0.915 1
1 114 . 16 1 1 A 17 17 VAL CA C 17 65.126 66.543 -1.417 1
1 115 . 16 1 1 A 17 17 VAL HA H 17 3.787 3.452 0.335 1
1 116 . 16 1 1 A 17 17 VAL CB C 17 32.790 31.505 1.285 1
1 126 . 16 1 1 A 17 17 VAL C C 17 177.095 177.447 -0.352 1
1 127 . 16 1 1 A 18 18 CYS N N 18 116.697 115.469 1.228 1
1 128 . 16 1 1 A 18 18 CYS H H 18 8.024 8.028 -0.004 1
1 129 . 16 1 1 A 18 18 CYS CA C 18 58.412 58.146 0.266 1
1 130 . 16 1 1 A 18 18 CYS HA H 18 5.148 4.621 0.527 1
1 131 . 16 1 1 A 18 18 CYS CB C 18 32.282 27.061 5.221 1
1 134 . 16 1 1 A 18 18 CYS C C 18 175.649 175.294 0.355 1
1 135 . 16 1 1 A 19 19 SER N N 19 115.473 115.626 -0.153 1
1 136 . 16 1 1 A 19 19 SER H H 19 8.025 8.108 -0.083 1
1 137 . 16 1 1 A 19 19 SER CA C 19 61.107 59.089 2.018 1
1 138 . 16 1 1 A 19 19 SER HA H 19 4.344 4.512 -0.168 1
1 139 . 16 1 1 A 19 19 SER CB C 19 62.187 61.547 0.640 1
1 142 . 16 1 1 A 19 19 SER C C 19 173.220 174.365 -1.145 1
1 143 . 16 1 1 A 20 20 LYS N N 20 123.593 121.797 1.796 1
1 144 . 16 1 1 A 20 20 LYS H H 20 8.026 7.892 0.134 1
1 145 . 16 1 1 A 20 20 LYS CA C 20 58.115 56.463 1.652 1
1 146 . 16 1 1 A 20 20 LYS HA H 20 4.007 4.273 -0.266 1
1 147 . 16 1 1 A 20 20 LYS CB C 20 33.813 32.992 0.821 1
1 159 . 16 1 1 A 20 20 LYS C C 20 173.846 175.982 -2.136 1
1 160 . 16 1 1 A 21 21 ALA N N 21 124.213 129.514 -5.301 1
1 161 . 16 1 1 A 21 21 ALA H H 21 7.837 8.569 -0.732 1
1 162 . 16 1 1 A 21 21 ALA CA C 21 50.509 50.798 -0.289 1
1 163 . 16 1 1 A 21 21 ALA HA H 21 5.125 5.325 -0.200 1
1 164 . 16 1 1 A 21 21 ALA CB C 21 22.361 21.378 0.983 1
1 168 . 16 1 1 A 21 21 ALA C C 21 176.165 176.504 -0.339 1
1 169 . 16 1 1 A 22 22 PHE N N 22 116.773 117.593 -0.820 1
1 170 . 16 1 1 A 22 22 PHE H H 22 8.660 8.818 -0.158 1
1 171 . 16 1 1 A 22 22 PHE CA C 22 57.228 56.856 0.372 1
1 172 . 16 1 1 A 22 22 PHE HA H 22 4.872 4.792 0.080 1
1 173 . 16 1 1 A 22 22 PHE CB C 22 43.970 43.564 0.406 1
1 186 . 16 1 1 A 22 22 PHE C C 22 175.596 175.673 -0.077 1
1 187 . 16 1 1 A 23 23 THR N N 23 112.435 116.662 -4.227 1
1 188 . 16 1 1 A 23 23 THR H H 23 9.419 8.645 0.774 1
1 189 . 16 1 1 A 23 23 THR CA C 23 63.752 63.750 0.002 1
1 190 . 16 1 1 A 23 23 THR HA H 23 4.538 4.362 0.176 1
1 191 . 16 1 1 A 23 23 THR CB C 23 69.791 69.879 -0.088 1
1 197 . 16 1 1 A 23 23 THR C C 23 174.879 174.085 0.794 1
1 198 . 16 1 1 A 24 24 GLN N N 24 116.006 117.554 -1.548 1
1 199 . 16 1 1 A 24 24 GLN H H 24 7.257 7.590 -0.333 1
1 200 . 16 1 1 A 24 24 GLN CA C 24 53.833 54.231 -0.398 1
1 201 . 16 1 1 A 24 24 GLN HA H 24 4.721 4.669 0.052 1
1 202 . 16 1 1 A 24 24 GLN CB C 24 31.008 31.701 -0.693 1
1 211 . 16 1 1 A 24 24 GLN C C 24 176.152 176.046 0.106 1
1 212 . 16 1 1 A 25 25 LYS N N 25 127.585 120.813 6.772 1
1 213 . 16 1 1 A 25 25 LYS H H 25 8.608 8.528 0.080 1
1 214 . 16 1 1 A 25 25 LYS CA C 25 59.831 58.598 1.233 1
1 215 . 16 1 1 A 25 25 LYS HA H 25 2.994 3.234 -0.240 1
1 216 . 16 1 1 A 25 25 LYS CB C 25 31.771 31.996 -0.225 1
1 228 . 16 1 1 A 25 25 LYS C C 25 178.888 178.682 0.206 1
1 229 . 16 1 1 A 26 26 ALA CA C 26 54.777 54.999 -0.222 1
1 230 . 16 1 1 A 26 26 ALA HA H 26 4.073 4.015 0.058 1
1 231 . 16 1 1 A 26 26 ALA CB C 26 18.221 18.156 0.065 1
1 235 . 16 1 1 A 26 26 ALA C C 26 180.193 179.435 0.758 1
1 236 . 16 1 1 A 27 27 HIS N N 27 115.655 115.847 -0.192 1
1 237 . 16 1 1 A 27 27 HIS H H 27 6.808 8.000 -1.192 1
1 238 . 16 1 1 A 27 27 HIS CA C 27 56.597 59.328 -2.731 1
1 239 . 16 1 1 A 27 27 HIS HA H 27 4.441 4.231 0.210 1
1 240 . 16 1 1 A 27 27 HIS CB C 27 31.644 29.783 1.861 1
1 247 . 16 1 1 A 27 27 HIS C C 27 178.584 177.361 1.223 1
1 248 . 16 1 1 A 28 28 LEU N N 28 121.599 120.660 0.939 1
1 249 . 16 1 1 A 28 28 LEU H H 28 7.008 7.798 -0.790 1
1 250 . 16 1 1 A 28 28 LEU CA C 28 57.764 57.595 0.169 1
1 251 . 16 1 1 A 28 28 LEU HA H 28 3.280 3.273 0.007 1
1 252 . 16 1 1 A 28 28 LEU CB C 28 40.215 41.748 -1.533 1
1 265 . 16 1 1 A 28 28 LEU C C 28 177.435 177.817 -0.382 1
1 266 . 16 1 1 A 29 29 ALA N N 29 121.543 120.476 1.067 1
1 267 . 16 1 1 A 29 29 ALA H H 29 8.100 8.753 -0.653 1
1 268 . 16 1 1 A 29 29 ALA CA C 29 55.208 55.427 -0.219 1
1 269 . 16 1 1 A 29 29 ALA HA H 29 4.148 3.896 0.252 1
1 270 . 16 1 1 A 29 29 ALA CB C 29 17.731 18.403 -0.672 1
1 274 . 16 1 1 A 29 29 ALA C C 29 180.709 179.673 1.036 1
1 275 . 16 1 1 A 30 30 GLN N N 30 116.397 117.974 -1.577 1
1 276 . 16 1 1 A 30 30 GLN H H 30 7.564 7.771 -0.207 1
1 277 . 16 1 1 A 30 30 GLN CA C 30 58.469 58.674 -0.205 1
1 278 . 16 1 1 A 30 30 GLN HA H 30 3.997 3.987 0.010 1
1 279 . 16 1 1 A 30 30 GLN CB C 30 28.395 28.284 0.111 1
1 288 . 16 1 1 A 30 30 GLN C C 30 178.538 178.341 0.197 1
1 289 . 16 1 1 A 31 31 HIS N N 31 119.006 119.588 -0.582 1
1 290 . 16 1 1 A 31 31 HIS H H 31 7.685 8.076 -0.391 1
1 291 . 16 1 1 A 31 31 HIS CA C 31 59.033 59.838 -0.805 1
1 292 . 16 1 1 A 31 31 HIS HA H 31 4.262 4.142 0.120 1
1 293 . 16 1 1 A 31 31 HIS CB C 31 28.627 29.703 -1.076 1
1 300 . 16 1 1 A 31 31 HIS C C 31 177.956 176.914 1.042 1
1 301 . 16 1 1 A 32 32 GLN N N 32 119.870 117.550 2.320 1
1 302 . 16 1 1 A 32 32 GLN H H 32 8.809 8.399 0.410 1
1 303 . 16 1 1 A 32 32 GLN CA C 32 59.611 59.209 0.402 1
1 304 . 16 1 1 A 32 32 GLN HA H 32 3.747 3.496 0.251 1
1 305 . 16 1 1 A 32 32 GLN CB C 32 28.255 28.132 0.123 1
1 314 . 16 1 1 A 32 32 GLN C C 32 177.728 178.589 -0.861 1
1 315 . 16 1 1 A 33 33 LYS N N 33 116.864 119.367 -2.503 1
1 316 . 16 1 1 A 33 33 LYS H H 33 7.108 7.972 -0.864 1
1 317 . 16 1 1 A 33 33 LYS CA C 33 58.613 58.891 -0.278 1
1 318 . 16 1 1 A 33 33 LYS HA H 33 4.149 3.968 0.181 1
1 319 . 16 1 1 A 33 33 LYS CB C 33 32.203 32.483 -0.280 1
1 331 . 16 1 1 A 33 33 LYS C C 33 178.099 179.243 -1.144 1
1 332 . 16 1 1 A 34 34 THR N N 34 109.562 113.068 -3.506 1
1 333 . 16 1 1 A 34 34 THR H H 34 7.736 8.369 -0.633 1
1 334 . 16 1 1 A 34 34 THR CA C 34 63.792 65.666 -1.874 1
1 335 . 16 1 1 A 34 34 THR HA H 34 4.131 3.954 0.177 1
1 336 . 16 1 1 A 34 34 THR CB C 34 69.387 68.006 1.381 1
1 342 . 16 1 1 A 34 34 THR C C 34 175.335 177.143 -1.808 1
1 343 . 16 1 1 A 35 35 HIS N N 35 118.240 119.746 -1.506 1
1 344 . 16 1 1 A 35 35 HIS H H 35 7.156 8.000 -0.844 1
1 345 . 16 1 1 A 35 35 HIS CA C 35 55.103 59.562 -4.459 1
1 346 . 16 1 1 A 35 35 HIS HA H 35 4.972 4.345 0.627 1
1 347 . 16 1 1 A 35 35 HIS CB C 35 28.657 29.340 -0.683 1
1 354 . 16 1 1 A 35 35 HIS C C 35 175.393 176.425 -1.032 1
1 355 . 16 1 1 A 36 36 THR N N 36 113.040 111.154 1.886 1
1 356 . 16 1 1 A 36 36 THR H H 36 7.839 7.474 0.365 1
1 357 . 16 1 1 A 36 36 THR CA C 36 61.871 61.870 0.001 1
1 358 . 16 1 1 A 36 36 THR HA H 36 4.369 4.431 -0.062 1
1 359 . 16 1 1 A 36 36 THR CB C 36 69.836 68.713 1.123 1
1 365 . 16 1 1 A 36 36 THR C C 36 175.280 174.736 0.544 1
1 366 . 16 1 1 A 37 37 GLY CA C 37 45.249 47.415 -2.166 1
1 367 . 16 1 1 A 37 37 GLY HA2 H 37 4.008 3.786 0.222 1
1 368 . 16 1 1 A 37 37 GLY HA3 H 37 4.008 3.792 0.216 1
1 369 . 16 1 1 A 37 37 GLY C C 37 174.005 173.660 0.345 1
1 370 . 16 1 1 A 38 38 GLU N N 38 120.596 121.882 -1.286 1
1 371 . 16 1 1 A 38 38 GLU H H 38 8.130 8.289 -0.159 1
1 372 . 16 1 1 A 38 38 GLU CA C 38 56.422 54.484 1.938 1
1 373 . 16 1 1 A 38 38 GLU HA H 38 4.265 4.951 -0.686 1
1 374 . 16 1 1 A 38 38 GLU CB C 38 30.578 32.892 -2.314 1
1 380 . 16 1 1 A 38 38 GLU C C 38 176.250 175.125 1.125 1
1 381 . 16 1 1 A 39 39 LYS N N 39 123.746 124.647 -0.901 1
1 382 . 16 1 1 A 39 39 LYS H H 39 8.424 8.464 -0.040 1
1 383 . 16 1 1 A 39 39 LYS CA C 39 54.157 54.799 -0.642 1
1 384 . 16 1 1 A 39 39 LYS HA H 39 4.612 4.278 0.334 1
1 385 . 16 1 1 A 39 39 LYS CB C 39 32.575 33.326 -0.751 1
1 395 . 16 1 1 A 39 39 LYS C C 39 174.466 174.881 -0.415 1
1 396 . 16 1 1 A 40 40 PRO CA C 40 63.253 63.380 -0.127 1
1 397 . 16 1 1 A 40 40 PRO HA H 40 4.480 4.433 0.047 1
1 398 . 16 1 1 A 40 40 PRO CB C 40 32.250 31.284 0.966 1
1 406 . 16 1 1 A 42 42 GLY N N 42 110.630 109.604 1.026 1
1 407 . 16 1 1 A 42 42 GLY H H 42 8.218 8.063 0.155 1
1 408 . 16 1 1 A 42 42 GLY CA C 42 44.674 44.080 0.594 1
1 409 . 16 1 1 A 42 42 GLY HA2 H 42 4.116 4.055 0.061 1
1 410 . 16 1 1 A 42 42 GLY HA3 H 42 4.165 4.056 0.109 1
1 411 . 16 1 1 A 43 43 PRO CA C 43 63.242 63.420 -0.178 1
1 412 . 16 1 1 A 43 43 PRO HA H 43 4.487 4.491 -0.004 1
1 413 . 16 1 1 A 43 43 PRO CB C 43 32.343 31.950 0.393 1
1 420 . 16 1 1 A 44 44 SER N N 44 116.476 114.688 1.788 1
1 421 . 16 1 1 A 44 44 SER H H 44 8.466 8.136 0.330 1
1 422 . 16 1 1 A 44 44 SER CA C 44 58.347 59.049 -0.702 1
1 423 . 16 1 1 A 44 44 SER HA H 44 4.479 4.126 0.353 1
1 424 . 16 1 1 A 44 44 SER CB C 44 64.148 60.924 3.224 1
1 426 . 16 1 1 A 45 45 SER CA C 45 58.438 58.924 -0.486 1
1 427 . 16 1 1 A 45 45 SER HA H 45 4.493 4.382 0.111 1
1 428 . 16 1 1 A 45 45 SER CB C 45 63.960 63.946 0.014 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.478 44.346 1.132 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.042 4.079 -0.037 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.042 4.081 -0.039 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.517 172.683 1.834 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.852 114.709 -1.857 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.150 8.653 -0.503 1
1 7 . 17 1 1 A 8 8 THR CA C 8 62.463 60.872 1.591 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.364 4.825 -0.461 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.776 71.354 -1.578 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.241 174.223 1.018 1
1 16 . 17 1 1 A 9 9 GLY N N 9 111.036 113.592 -2.556 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.423 8.329 0.094 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.273 44.669 0.604 1
1 19 . 17 1 1 A 9 9 GLY HA2 H 9 3.918 4.202 -0.284 1
1 20 . 17 1 1 A 9 9 GLY HA3 H 9 3.965 4.205 -0.240 1
1 21 . 17 1 1 A 9 9 GLY C C 9 174.013 173.471 0.542 1
1 22 . 17 1 1 A 10 10 GLU N N 10 120.348 123.770 -3.422 1
1 23 . 17 1 1 A 10 10 GLU H H 10 8.209 8.823 -0.614 1
1 24 . 17 1 1 A 10 10 GLU CA C 10 56.820 56.038 0.782 1
1 25 . 17 1 1 A 10 10 GLU HA H 10 4.193 4.444 -0.251 1
1 26 . 17 1 1 A 10 10 GLU CB C 10 30.457 30.329 0.128 1
1 32 . 17 1 1 A 10 10 GLU C C 10 176.284 176.611 -0.327 1
1 33 . 17 1 1 A 11 11 LYS N N 11 121.889 124.251 -2.362 1
1 34 . 17 1 1 A 11 11 LYS H H 11 8.297 8.808 -0.511 1
1 35 . 17 1 1 A 11 11 LYS CA C 11 53.828 54.340 -0.512 1
1 36 . 17 1 1 A 11 11 LYS HA H 11 4.504 4.511 -0.007 1
1 37 . 17 1 1 A 11 11 LYS CB C 11 32.938 32.015 0.923 1
1 48 . 17 1 1 A 12 12 PRO CA C 12 63.404 64.444 -1.040 1
1 49 . 17 1 1 A 12 12 PRO HA H 12 4.258 4.354 -0.096 1
1 50 . 17 1 1 A 12 12 PRO CB C 12 32.224 31.544 0.680 1
1 59 . 17 1 1 A 12 12 PRO C C 12 176.340 175.762 0.578 1
1 60 . 17 1 1 A 13 13 TYR N N 13 118.367 118.583 -0.216 1
1 61 . 17 1 1 A 13 13 TYR H H 13 7.933 7.683 0.250 1
1 62 . 17 1 1 A 13 13 TYR CA C 13 57.250 56.908 0.342 1
1 63 . 17 1 1 A 13 13 TYR HA H 13 4.664 5.183 -0.519 1
1 64 . 17 1 1 A 13 13 TYR CB C 13 38.486 39.959 -1.473 1
1 75 . 17 1 1 A 13 13 TYR C C 13 174.622 174.361 0.261 1
1 76 . 17 1 1 A 14 14 GLU N N 14 124.142 124.959 -0.817 1
1 77 . 17 1 1 A 14 14 GLU H H 14 8.524 9.117 -0.593 1
1 78 . 17 1 1 A 14 14 GLU CA C 14 55.138 54.887 0.251 1
1 79 . 17 1 1 A 14 14 GLU HA H 14 4.883 5.271 -0.388 1
1 80 . 17 1 1 A 14 14 GLU CB C 14 32.979 33.614 -0.635 1
1 86 . 17 1 1 A 14 14 GLU C C 14 175.112 175.211 -0.099 1
1 87 . 17 1 1 A 15 15 CYS N N 15 126.468 125.814 0.654 1
1 88 . 17 1 1 A 15 15 CYS H H 15 9.176 9.574 -0.398 1
1 89 . 17 1 1 A 15 15 CYS CA C 15 59.621 59.206 0.415 1
1 90 . 17 1 1 A 15 15 CYS HA H 15 4.549 4.696 -0.147 1
1 91 . 17 1 1 A 15 15 CYS CB C 15 29.673 28.335 1.338 1
1 94 . 17 1 1 A 15 15 CYS C C 15 177.028 175.882 1.146 1
1 95 . 17 1 1 A 16 16 LYS N N 16 130.332 127.781 2.551 1
1 96 . 17 1 1 A 16 16 LYS H H 16 9.220 9.111 0.109 1
1 97 . 17 1 1 A 16 16 LYS CA C 16 57.744 55.697 2.047 1
1 98 . 17 1 1 A 16 16 LYS HA H 16 4.284 4.529 -0.245 1
1 99 . 17 1 1 A 16 16 LYS CB C 16 32.162 32.084 0.078 1
1 111 . 17 1 1 A 16 16 LYS C C 16 177.052 176.706 0.346 1
1 112 . 17 1 1 A 17 17 VAL N N 17 121.440 117.362 4.078 1
1 113 . 17 1 1 A 17 17 VAL H H 17 8.817 7.497 1.320 1
1 114 . 17 1 1 A 17 17 VAL CA C 17 65.126 63.656 1.470 1
1 115 . 17 1 1 A 17 17 VAL HA H 17 3.787 4.110 -0.323 1
1 116 . 17 1 1 A 17 17 VAL CB C 17 32.790 33.661 -0.871 1
1 126 . 17 1 1 A 17 17 VAL C C 17 177.095 177.435 -0.340 1
1 127 . 17 1 1 A 18 18 CYS N N 18 116.697 116.471 0.226 1
1 128 . 17 1 1 A 18 18 CYS H H 18 8.024 7.951 0.073 1
1 129 . 17 1 1 A 18 18 CYS CA C 18 58.412 58.128 0.284 1
1 130 . 17 1 1 A 18 18 CYS HA H 18 5.148 4.631 0.517 1
1 131 . 17 1 1 A 18 18 CYS CB C 18 32.282 29.235 3.047 1
1 134 . 17 1 1 A 18 18 CYS C C 18 175.649 174.793 0.856 1
1 135 . 17 1 1 A 19 19 SER N N 19 115.473 115.565 -0.092 1
1 136 . 17 1 1 A 19 19 SER H H 19 8.025 8.170 -0.145 1
1 137 . 17 1 1 A 19 19 SER CA C 19 61.107 59.142 1.965 1
1 138 . 17 1 1 A 19 19 SER HA H 19 4.344 4.237 0.107 1
1 139 . 17 1 1 A 19 19 SER CB C 19 62.187 61.567 0.620 1
1 142 . 17 1 1 A 19 19 SER C C 19 173.220 173.934 -0.714 1
1 143 . 17 1 1 A 20 20 LYS N N 20 123.593 121.031 2.562 1
1 144 . 17 1 1 A 20 20 LYS H H 20 8.026 7.680 0.346 1
1 145 . 17 1 1 A 20 20 LYS CA C 20 58.115 55.284 2.831 1
1 146 . 17 1 1 A 20 20 LYS HA H 20 4.007 4.572 -0.565 1
1 147 . 17 1 1 A 20 20 LYS CB C 20 33.813 34.111 -0.298 1
1 159 . 17 1 1 A 20 20 LYS C C 20 173.846 175.105 -1.259 1
1 160 . 17 1 1 A 21 21 ALA N N 21 124.213 128.078 -3.865 1
1 161 . 17 1 1 A 21 21 ALA H H 21 7.837 8.663 -0.826 1
1 162 . 17 1 1 A 21 21 ALA CA C 21 50.509 49.638 0.871 1
1 163 . 17 1 1 A 21 21 ALA HA H 21 5.125 5.577 -0.452 1
1 164 . 17 1 1 A 21 21 ALA CB C 21 22.361 22.784 -0.423 1
1 168 . 17 1 1 A 21 21 ALA C C 21 176.165 175.781 0.384 1
1 169 . 17 1 1 A 22 22 PHE N N 22 116.773 117.775 -1.002 1
1 170 . 17 1 1 A 22 22 PHE H H 22 8.660 8.425 0.235 1
1 171 . 17 1 1 A 22 22 PHE CA C 22 57.228 56.791 0.437 1
1 172 . 17 1 1 A 22 22 PHE HA H 22 4.872 4.813 0.059 1
1 173 . 17 1 1 A 22 22 PHE CB C 22 43.970 42.883 1.087 1
1 186 . 17 1 1 A 22 22 PHE C C 22 175.596 175.756 -0.160 1
1 187 . 17 1 1 A 23 23 THR N N 23 112.435 118.024 -5.589 1
1 188 . 17 1 1 A 23 23 THR H H 23 9.419 8.678 0.741 1
1 189 . 17 1 1 A 23 23 THR CA C 23 63.752 63.645 0.107 1
1 190 . 17 1 1 A 23 23 THR HA H 23 4.538 4.417 0.121 1
1 191 . 17 1 1 A 23 23 THR CB C 23 69.791 69.865 -0.074 1
1 197 . 17 1 1 A 23 23 THR C C 23 174.879 174.115 0.764 1
1 198 . 17 1 1 A 24 24 GLN N N 24 116.006 118.594 -2.588 1
1 199 . 17 1 1 A 24 24 GLN H H 24 7.257 7.800 -0.543 1
1 200 . 17 1 1 A 24 24 GLN CA C 24 53.833 54.361 -0.528 1
1 201 . 17 1 1 A 24 24 GLN HA H 24 4.721 4.613 0.108 1
1 202 . 17 1 1 A 24 24 GLN CB C 24 31.008 31.918 -0.910 1
1 211 . 17 1 1 A 24 24 GLN C C 24 176.152 175.319 0.833 1
1 212 . 17 1 1 A 25 25 LYS N N 25 127.585 123.767 3.818 1
1 213 . 17 1 1 A 25 25 LYS H H 25 8.608 8.359 0.249 1
1 214 . 17 1 1 A 25 25 LYS CA C 25 59.831 59.017 0.814 1
1 215 . 17 1 1 A 25 25 LYS HA H 25 2.994 2.898 0.096 1
1 216 . 17 1 1 A 25 25 LYS CB C 25 31.771 31.978 -0.207 1
1 228 . 17 1 1 A 25 25 LYS C C 25 178.888 177.899 0.989 1
1 229 . 17 1 1 A 26 26 ALA CA C 26 54.777 55.016 -0.239 1
1 230 . 17 1 1 A 26 26 ALA HA H 26 4.073 3.965 0.108 1
1 231 . 17 1 1 A 26 26 ALA CB C 26 18.221 18.343 -0.122 1
1 235 . 17 1 1 A 26 26 ALA C C 26 180.193 179.547 0.646 1
1 236 . 17 1 1 A 27 27 HIS N N 27 115.655 115.958 -0.303 1
1 237 . 17 1 1 A 27 27 HIS H H 27 6.808 7.726 -0.918 1
1 238 . 17 1 1 A 27 27 HIS CA C 27 56.597 59.190 -2.593 1
1 239 . 17 1 1 A 27 27 HIS HA H 27 4.441 4.283 0.158 1
1 240 . 17 1 1 A 27 27 HIS CB C 27 31.644 29.796 1.848 1
1 247 . 17 1 1 A 27 27 HIS C C 27 178.584 177.305 1.279 1
1 248 . 17 1 1 A 28 28 LEU N N 28 121.599 120.664 0.935 1
1 249 . 17 1 1 A 28 28 LEU H H 28 7.008 7.940 -0.932 1
1 250 . 17 1 1 A 28 28 LEU CA C 28 57.764 57.453 0.311 1
1 251 . 17 1 1 A 28 28 LEU HA H 28 3.280 2.529 0.751 1
1 252 . 17 1 1 A 28 28 LEU CB C 28 40.215 41.498 -1.283 1
1 265 . 17 1 1 A 28 28 LEU C C 28 177.435 177.952 -0.517 1
1 266 . 17 1 1 A 29 29 ALA N N 29 121.543 120.587 0.956 1
1 267 . 17 1 1 A 29 29 ALA H H 29 8.100 8.237 -0.137 1
1 268 . 17 1 1 A 29 29 ALA CA C 29 55.208 54.857 0.351 1
1 269 . 17 1 1 A 29 29 ALA HA H 29 4.148 3.898 0.250 1
1 270 . 17 1 1 A 29 29 ALA CB C 29 17.731 18.267 -0.536 1
1 274 . 17 1 1 A 29 29 ALA C C 29 180.709 179.910 0.799 1
1 275 . 17 1 1 A 30 30 GLN N N 30 116.397 117.745 -1.348 1
1 276 . 17 1 1 A 30 30 GLN H H 30 7.564 7.785 -0.221 1
1 277 . 17 1 1 A 30 30 GLN CA C 30 58.469 58.061 0.408 1
1 278 . 17 1 1 A 30 30 GLN HA H 30 3.997 4.041 -0.044 1
1 279 . 17 1 1 A 30 30 GLN CB C 30 28.395 28.578 -0.183 1
1 288 . 17 1 1 A 30 30 GLN C C 30 178.538 177.915 0.623 1
1 289 . 17 1 1 A 31 31 HIS N N 31 119.006 119.609 -0.603 1
1 290 . 17 1 1 A 31 31 HIS H H 31 7.685 8.044 -0.359 1
1 291 . 17 1 1 A 31 31 HIS CA C 31 59.033 58.676 0.357 1
1 292 . 17 1 1 A 31 31 HIS HA H 31 4.262 4.160 0.102 1
1 293 . 17 1 1 A 31 31 HIS CB C 31 28.627 30.056 -1.429 1
1 300 . 17 1 1 A 31 31 HIS C C 31 177.956 176.960 0.996 1
1 301 . 17 1 1 A 32 32 GLN N N 32 119.870 117.993 1.877 1
1 302 . 17 1 1 A 32 32 GLN H H 32 8.809 8.703 0.106 1
1 303 . 17 1 1 A 32 32 GLN CA C 32 59.611 59.026 0.585 1
1 304 . 17 1 1 A 32 32 GLN HA H 32 3.747 3.812 -0.065 1
1 305 . 17 1 1 A 32 32 GLN CB C 32 28.255 28.363 -0.108 1
1 314 . 17 1 1 A 32 32 GLN C C 32 177.728 178.526 -0.798 1
1 315 . 17 1 1 A 33 33 LYS N N 33 116.864 117.935 -1.071 1
1 316 . 17 1 1 A 33 33 LYS H H 33 7.108 8.083 -0.975 1
1 317 . 17 1 1 A 33 33 LYS CA C 33 58.613 58.907 -0.294 1
1 318 . 17 1 1 A 33 33 LYS HA H 33 4.149 4.054 0.095 1
1 319 . 17 1 1 A 33 33 LYS CB C 33 32.203 32.216 -0.013 1
1 331 . 17 1 1 A 33 33 LYS C C 33 178.099 178.466 -0.367 1
1 332 . 17 1 1 A 34 34 THR N N 34 109.562 113.904 -4.342 1
1 333 . 17 1 1 A 34 34 THR H H 34 7.736 8.270 -0.534 1
1 334 . 17 1 1 A 34 34 THR CA C 34 63.792 64.201 -0.409 1
1 335 . 17 1 1 A 34 34 THR HA H 34 4.131 3.955 0.176 1
1 336 . 17 1 1 A 34 34 THR CB C 34 69.387 68.586 0.801 1
1 342 . 17 1 1 A 34 34 THR C C 34 175.335 174.605 0.730 1
1 343 . 17 1 1 A 35 35 HIS N N 35 118.240 119.491 -1.251 1
1 344 . 17 1 1 A 35 35 HIS H H 35 7.156 8.117 -0.961 1
1 345 . 17 1 1 A 35 35 HIS CA C 35 55.103 55.357 -0.254 1
1 346 . 17 1 1 A 35 35 HIS HA H 35 4.972 4.734 0.238 1
1 347 . 17 1 1 A 35 35 HIS CB C 35 28.657 30.024 -1.367 1
1 354 . 17 1 1 A 35 35 HIS C C 35 175.393 174.835 0.558 1
1 355 . 17 1 1 A 36 36 THR N N 36 113.040 115.724 -2.684 1
1 356 . 17 1 1 A 36 36 THR H H 36 7.839 8.667 -0.828 1
1 357 . 17 1 1 A 36 36 THR CA C 36 61.871 61.742 0.129 1
1 358 . 17 1 1 A 36 36 THR HA H 36 4.369 4.609 -0.240 1
1 359 . 17 1 1 A 36 36 THR CB C 36 69.836 70.469 -0.633 1
1 365 . 17 1 1 A 36 36 THR C C 36 175.280 174.311 0.969 1
1 366 . 17 1 1 A 37 37 GLY CA C 37 45.249 44.810 0.439 1
1 367 . 17 1 1 A 37 37 GLY HA2 H 37 4.008 4.184 -0.176 1
1 368 . 17 1 1 A 37 37 GLY HA3 H 37 4.008 4.187 -0.179 1
1 369 . 17 1 1 A 37 37 GLY C C 37 174.005 172.544 1.461 1
1 370 . 17 1 1 A 38 38 GLU N N 38 120.596 124.270 -3.674 1
1 371 . 17 1 1 A 38 38 GLU H H 38 8.130 8.628 -0.498 1
1 372 . 17 1 1 A 38 38 GLU CA C 38 56.422 55.089 1.333 1
1 373 . 17 1 1 A 38 38 GLU HA H 38 4.265 4.902 -0.637 1
1 374 . 17 1 1 A 38 38 GLU CB C 38 30.578 31.148 -0.570 1
1 380 . 17 1 1 A 38 38 GLU C C 38 176.250 175.802 0.448 1
1 381 . 17 1 1 A 39 39 LYS N N 39 123.746 128.487 -4.741 1
1 382 . 17 1 1 A 39 39 LYS H H 39 8.424 8.578 -0.154 1
1 383 . 17 1 1 A 39 39 LYS CA C 39 54.157 54.121 0.036 1
1 384 . 17 1 1 A 39 39 LYS HA H 39 4.612 4.484 0.128 1
1 385 . 17 1 1 A 39 39 LYS CB C 39 32.575 32.606 -0.031 1
1 395 . 17 1 1 A 39 39 LYS C C 39 174.466 175.254 -0.788 1
1 396 . 17 1 1 A 40 40 PRO CA C 40 63.253 63.298 -0.045 1
1 397 . 17 1 1 A 40 40 PRO HA H 40 4.480 4.355 0.125 1
1 398 . 17 1 1 A 40 40 PRO CB C 40 32.250 32.233 0.017 1
1 406 . 17 1 1 A 42 42 GLY N N 42 110.630 107.747 2.883 1
1 407 . 17 1 1 A 42 42 GLY H H 42 8.218 8.065 0.153 1
1 408 . 17 1 1 A 42 42 GLY CA C 42 44.674 44.274 0.400 1
1 409 . 17 1 1 A 42 42 GLY HA2 H 42 4.116 4.054 0.062 1
1 410 . 17 1 1 A 42 42 GLY HA3 H 42 4.165 4.054 0.111 1
1 411 . 17 1 1 A 43 43 PRO CA C 43 63.242 63.755 -0.513 1
1 412 . 17 1 1 A 43 43 PRO HA H 43 4.487 4.538 -0.051 1
1 413 . 17 1 1 A 43 43 PRO CB C 43 32.343 31.784 0.559 1
1 420 . 17 1 1 A 44 44 SER N N 44 116.476 116.152 0.324 1
1 421 . 17 1 1 A 44 44 SER H H 44 8.466 7.720 0.746 1
1 422 . 17 1 1 A 44 44 SER CA C 44 58.347 58.794 -0.447 1
1 423 . 17 1 1 A 44 44 SER HA H 44 4.479 4.404 0.075 1
1 424 . 17 1 1 A 44 44 SER CB C 44 64.148 63.391 0.757 1
1 426 . 17 1 1 A 45 45 SER CA C 45 58.438 56.488 1.950 1
1 427 . 17 1 1 A 45 45 SER HA H 45 4.493 5.154 -0.661 1
1 428 . 17 1 1 A 45 45 SER CB C 45 63.960 65.261 -1.301 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.478 45.653 -0.175 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.042 4.035 0.007 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.042 4.035 0.007 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.517 174.413 0.104 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.852 114.187 -1.335 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.150 7.840 0.310 1
1 7 . 18 1 1 A 8 8 THR CA C 8 62.463 61.701 0.762 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.364 4.398 -0.034 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.776 70.784 -1.008 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.241 173.983 1.258 1
1 16 . 18 1 1 A 9 9 GLY N N 9 111.036 109.689 1.347 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.423 8.343 0.080 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.273 45.942 -0.669 1
1 19 . 18 1 1 A 9 9 GLY HA2 H 9 3.918 4.069 -0.151 1
1 20 . 18 1 1 A 9 9 GLY HA3 H 9 3.965 4.070 -0.105 1
1 21 . 18 1 1 A 9 9 GLY C C 9 174.013 173.821 0.192 1
1 22 . 18 1 1 A 10 10 GLU N N 10 120.348 118.936 1.412 1
1 23 . 18 1 1 A 10 10 GLU H H 10 8.209 8.022 0.187 1
1 24 . 18 1 1 A 10 10 GLU CA C 10 56.820 55.215 1.605 1
1 25 . 18 1 1 A 10 10 GLU HA H 10 4.193 4.815 -0.622 1
1 26 . 18 1 1 A 10 10 GLU CB C 10 30.457 33.261 -2.804 1
1 32 . 18 1 1 A 10 10 GLU C C 10 176.284 174.750 1.534 1
1 33 . 18 1 1 A 11 11 LYS N N 11 121.889 126.529 -4.640 1
1 34 . 18 1 1 A 11 11 LYS H H 11 8.297 8.510 -0.213 1
1 35 . 18 1 1 A 11 11 LYS CA C 11 53.828 55.299 -1.471 1
1 36 . 18 1 1 A 11 11 LYS HA H 11 4.504 4.301 0.203 1
1 37 . 18 1 1 A 11 11 LYS CB C 11 32.938 31.888 1.050 1
1 48 . 18 1 1 A 12 12 PRO CA C 12 63.404 64.247 -0.843 1
1 49 . 18 1 1 A 12 12 PRO HA H 12 4.258 4.317 -0.059 1
1 50 . 18 1 1 A 12 12 PRO CB C 12 32.224 31.451 0.773 1
1 59 . 18 1 1 A 12 12 PRO C C 12 176.340 175.727 0.613 1
1 60 . 18 1 1 A 13 13 TYR N N 13 118.367 118.188 0.179 1
1 61 . 18 1 1 A 13 13 TYR H H 13 7.933 7.533 0.400 1
1 62 . 18 1 1 A 13 13 TYR CA C 13 57.250 56.889 0.361 1
1 63 . 18 1 1 A 13 13 TYR HA H 13 4.664 5.439 -0.775 1
1 64 . 18 1 1 A 13 13 TYR CB C 13 38.486 41.413 -2.927 1
1 75 . 18 1 1 A 13 13 TYR C C 13 174.622 174.393 0.229 1
1 76 . 18 1 1 A 14 14 GLU N N 14 124.142 124.721 -0.579 1
1 77 . 18 1 1 A 14 14 GLU H H 14 8.524 9.120 -0.596 1
1 78 . 18 1 1 A 14 14 GLU CA C 14 55.138 54.865 0.273 1
1 79 . 18 1 1 A 14 14 GLU HA H 14 4.883 5.410 -0.527 1
1 80 . 18 1 1 A 14 14 GLU CB C 14 32.979 33.623 -0.644 1
1 86 . 18 1 1 A 14 14 GLU C C 14 175.112 175.022 0.090 1
1 87 . 18 1 1 A 15 15 CYS N N 15 126.468 125.534 0.934 1
1 88 . 18 1 1 A 15 15 CYS H H 15 9.176 9.425 -0.249 1
1 89 . 18 1 1 A 15 15 CYS CA C 15 59.621 59.158 0.463 1
1 90 . 18 1 1 A 15 15 CYS HA H 15 4.549 4.790 -0.241 1
1 91 . 18 1 1 A 15 15 CYS CB C 15 29.673 29.305 0.368 1
1 94 . 18 1 1 A 15 15 CYS C C 15 177.028 174.808 2.220 1
1 95 . 18 1 1 A 16 16 LYS N N 16 130.332 124.853 5.479 1
1 96 . 18 1 1 A 16 16 LYS H H 16 9.220 8.876 0.344 1
1 97 . 18 1 1 A 16 16 LYS CA C 16 57.744 56.922 0.822 1
1 98 . 18 1 1 A 16 16 LYS HA H 16 4.284 4.465 -0.181 1
1 99 . 18 1 1 A 16 16 LYS CB C 16 32.162 33.353 -1.191 1
1 111 . 18 1 1 A 16 16 LYS C C 16 177.052 178.524 -1.472 1
1 112 . 18 1 1 A 17 17 VAL N N 17 121.440 119.985 1.455 1
1 113 . 18 1 1 A 17 17 VAL H H 17 8.817 7.441 1.376 1
1 114 . 18 1 1 A 17 17 VAL CA C 17 65.126 66.715 -1.589 1
1 115 . 18 1 1 A 17 17 VAL HA H 17 3.787 3.442 0.345 1
1 116 . 18 1 1 A 17 17 VAL CB C 17 32.790 31.361 1.429 1
1 126 . 18 1 1 A 17 17 VAL C C 17 177.095 177.248 -0.153 1
1 127 . 18 1 1 A 18 18 CYS N N 18 116.697 115.355 1.342 1
1 128 . 18 1 1 A 18 18 CYS H H 18 8.024 8.044 -0.020 1
1 129 . 18 1 1 A 18 18 CYS CA C 18 58.412 58.076 0.336 1
1 130 . 18 1 1 A 18 18 CYS HA H 18 5.148 4.535 0.613 1
1 131 . 18 1 1 A 18 18 CYS CB C 18 32.282 26.694 5.588 1
1 134 . 18 1 1 A 18 18 CYS C C 18 175.649 175.329 0.320 1
1 135 . 18 1 1 A 19 19 SER N N 19 115.473 114.993 0.480 1
1 136 . 18 1 1 A 19 19 SER H H 19 8.025 8.187 -0.162 1
1 137 . 18 1 1 A 19 19 SER CA C 19 61.107 59.207 1.900 1
1 138 . 18 1 1 A 19 19 SER HA H 19 4.344 4.544 -0.200 1
1 139 . 18 1 1 A 19 19 SER CB C 19 62.187 61.100 1.087 1
1 142 . 18 1 1 A 19 19 SER C C 19 173.220 174.125 -0.905 1
1 143 . 18 1 1 A 20 20 LYS N N 20 123.593 123.568 0.025 1
1 144 . 18 1 1 A 20 20 LYS H H 20 8.026 7.884 0.142 1
1 145 . 18 1 1 A 20 20 LYS CA C 20 58.115 56.175 1.940 1
1 146 . 18 1 1 A 20 20 LYS HA H 20 4.007 4.089 -0.082 1
1 147 . 18 1 1 A 20 20 LYS CB C 20 33.813 33.412 0.401 1
1 159 . 18 1 1 A 20 20 LYS C C 20 173.846 175.061 -1.215 1
1 160 . 18 1 1 A 21 21 ALA N N 21 124.213 126.004 -1.791 1
1 161 . 18 1 1 A 21 21 ALA H H 21 7.837 7.933 -0.096 1
1 162 . 18 1 1 A 21 21 ALA CA C 21 50.509 50.341 0.168 1
1 163 . 18 1 1 A 21 21 ALA HA H 21 5.125 5.061 0.064 1
1 164 . 18 1 1 A 21 21 ALA CB C 21 22.361 21.800 0.561 1
1 168 . 18 1 1 A 21 21 ALA C C 21 176.165 175.102 1.063 1
1 169 . 18 1 1 A 22 22 PHE N N 22 116.773 119.156 -2.383 1
1 170 . 18 1 1 A 22 22 PHE H H 22 8.660 8.589 0.071 1
1 171 . 18 1 1 A 22 22 PHE CA C 22 57.228 56.522 0.706 1
1 172 . 18 1 1 A 22 22 PHE HA H 22 4.872 4.778 0.094 1
1 173 . 18 1 1 A 22 22 PHE CB C 22 43.970 42.964 1.006 1
1 186 . 18 1 1 A 22 22 PHE C C 22 175.596 175.796 -0.200 1
1 187 . 18 1 1 A 23 23 THR N N 23 112.435 117.240 -4.805 1
1 188 . 18 1 1 A 23 23 THR H H 23 9.419 8.716 0.703 1
1 189 . 18 1 1 A 23 23 THR CA C 23 63.752 63.976 -0.224 1
1 190 . 18 1 1 A 23 23 THR HA H 23 4.538 4.407 0.131 1
1 191 . 18 1 1 A 23 23 THR CB C 23 69.791 70.081 -0.290 1
1 197 . 18 1 1 A 23 23 THR C C 23 174.879 174.224 0.655 1
1 198 . 18 1 1 A 24 24 GLN N N 24 116.006 117.994 -1.988 1
1 199 . 18 1 1 A 24 24 GLN H H 24 7.257 7.869 -0.612 1
1 200 . 18 1 1 A 24 24 GLN CA C 24 53.833 54.272 -0.439 1
1 201 . 18 1 1 A 24 24 GLN HA H 24 4.721 4.724 -0.003 1
1 202 . 18 1 1 A 24 24 GLN CB C 24 31.008 31.376 -0.368 1
1 211 . 18 1 1 A 24 24 GLN C C 24 176.152 175.791 0.361 1
1 212 . 18 1 1 A 25 25 LYS N N 25 127.585 122.782 4.803 1
1 213 . 18 1 1 A 25 25 LYS H H 25 8.608 8.461 0.147 1
1 214 . 18 1 1 A 25 25 LYS CA C 25 59.831 58.673 1.158 1
1 215 . 18 1 1 A 25 25 LYS HA H 25 2.994 3.508 -0.514 1
1 216 . 18 1 1 A 25 25 LYS CB C 25 31.771 32.469 -0.698 1
1 228 . 18 1 1 A 25 25 LYS C C 25 178.888 178.396 0.492 1
1 229 . 18 1 1 A 26 26 ALA CA C 26 54.777 55.175 -0.398 1
1 230 . 18 1 1 A 26 26 ALA HA H 26 4.073 3.967 0.106 1
1 231 . 18 1 1 A 26 26 ALA CB C 26 18.221 18.264 -0.043 1
1 235 . 18 1 1 A 26 26 ALA C C 26 180.193 179.744 0.449 1
1 236 . 18 1 1 A 27 27 HIS N N 27 115.655 115.997 -0.342 1
1 237 . 18 1 1 A 27 27 HIS H H 27 6.808 7.957 -1.149 1
1 238 . 18 1 1 A 27 27 HIS CA C 27 56.597 59.331 -2.734 1
1 239 . 18 1 1 A 27 27 HIS HA H 27 4.441 4.300 0.141 1
1 240 . 18 1 1 A 27 27 HIS CB C 27 31.644 30.278 1.366 1
1 247 . 18 1 1 A 27 27 HIS C C 27 178.584 177.327 1.257 1
1 248 . 18 1 1 A 28 28 LEU N N 28 121.599 120.433 1.166 1
1 249 . 18 1 1 A 28 28 LEU H H 28 7.008 7.653 -0.645 1
1 250 . 18 1 1 A 28 28 LEU CA C 28 57.764 57.521 0.243 1
1 251 . 18 1 1 A 28 28 LEU HA H 28 3.280 2.957 0.323 1
1 252 . 18 1 1 A 28 28 LEU CB C 28 40.215 41.599 -1.384 1
1 265 . 18 1 1 A 28 28 LEU C C 28 177.435 177.839 -0.404 1
1 266 . 18 1 1 A 29 29 ALA N N 29 121.543 120.471 1.072 1
1 267 . 18 1 1 A 29 29 ALA H H 29 8.100 8.602 -0.502 1
1 268 . 18 1 1 A 29 29 ALA CA C 29 55.208 55.504 -0.296 1
1 269 . 18 1 1 A 29 29 ALA HA H 29 4.148 3.888 0.260 1
1 270 . 18 1 1 A 29 29 ALA CB C 29 17.731 18.394 -0.663 1
1 274 . 18 1 1 A 29 29 ALA C C 29 180.709 179.641 1.068 1
1 275 . 18 1 1 A 30 30 GLN N N 30 116.397 117.836 -1.439 1
1 276 . 18 1 1 A 30 30 GLN H H 30 7.564 8.112 -0.548 1
1 277 . 18 1 1 A 30 30 GLN CA C 30 58.469 58.168 0.301 1
1 278 . 18 1 1 A 30 30 GLN HA H 30 3.997 4.033 -0.036 1
1 279 . 18 1 1 A 30 30 GLN CB C 30 28.395 28.488 -0.093 1
1 288 . 18 1 1 A 30 30 GLN C C 30 178.538 178.067 0.471 1
1 289 . 18 1 1 A 31 31 HIS N N 31 119.006 119.774 -0.768 1
1 290 . 18 1 1 A 31 31 HIS H H 31 7.685 8.273 -0.588 1
1 291 . 18 1 1 A 31 31 HIS CA C 31 59.033 58.758 0.275 1
1 292 . 18 1 1 A 31 31 HIS HA H 31 4.262 4.154 0.108 1
1 293 . 18 1 1 A 31 31 HIS CB C 31 28.627 30.168 -1.541 1
1 300 . 18 1 1 A 31 31 HIS C C 31 177.956 176.635 1.321 1
1 301 . 18 1 1 A 32 32 GLN N N 32 119.870 117.225 2.645 1
1 302 . 18 1 1 A 32 32 GLN H H 32 8.809 8.512 0.297 1
1 303 . 18 1 1 A 32 32 GLN CA C 32 59.611 59.045 0.566 1
1 304 . 18 1 1 A 32 32 GLN HA H 32 3.747 3.484 0.263 1
1 305 . 18 1 1 A 32 32 GLN CB C 32 28.255 28.097 0.158 1
1 314 . 18 1 1 A 32 32 GLN C C 32 177.728 177.944 -0.216 1
1 315 . 18 1 1 A 33 33 LYS N N 33 116.864 117.726 -0.862 1
1 316 . 18 1 1 A 33 33 LYS H H 33 7.108 7.637 -0.529 1
1 317 . 18 1 1 A 33 33 LYS CA C 33 58.613 58.889 -0.276 1
1 318 . 18 1 1 A 33 33 LYS HA H 33 4.149 4.037 0.112 1
1 319 . 18 1 1 A 33 33 LYS CB C 33 32.203 32.165 0.038 1
1 331 . 18 1 1 A 33 33 LYS C C 33 178.099 177.947 0.152 1
1 332 . 18 1 1 A 34 34 THR N N 34 109.562 111.009 -1.447 1
1 333 . 18 1 1 A 34 34 THR H H 34 7.736 8.308 -0.572 1
1 334 . 18 1 1 A 34 34 THR CA C 34 63.792 65.445 -1.653 1
1 335 . 18 1 1 A 34 34 THR HA H 34 4.131 4.029 0.102 1
1 336 . 18 1 1 A 34 34 THR CB C 34 69.387 68.032 1.355 1
1 342 . 18 1 1 A 34 34 THR C C 34 175.335 175.231 0.104 1
1 343 . 18 1 1 A 35 35 HIS N N 35 118.240 120.648 -2.408 1
1 344 . 18 1 1 A 35 35 HIS H H 35 7.156 7.465 -0.309 1
1 345 . 18 1 1 A 35 35 HIS CA C 35 55.103 57.188 -2.085 1
1 346 . 18 1 1 A 35 35 HIS HA H 35 4.972 4.416 0.556 1
1 347 . 18 1 1 A 35 35 HIS CB C 35 28.657 29.845 -1.188 1
1 354 . 18 1 1 A 35 35 HIS C C 35 175.393 175.308 0.085 1
1 355 . 18 1 1 A 36 36 THR N N 36 113.040 117.259 -4.219 1
1 356 . 18 1 1 A 36 36 THR H H 36 7.839 9.095 -1.256 1
1 357 . 18 1 1 A 36 36 THR CA C 36 61.871 64.711 -2.840 1
1 358 . 18 1 1 A 36 36 THR HA H 36 4.369 4.261 0.108 1
1 359 . 18 1 1 A 36 36 THR CB C 36 69.836 69.460 0.376 1
1 365 . 18 1 1 A 36 36 THR C C 36 175.280 175.227 0.053 1
1 366 . 18 1 1 A 37 37 GLY CA C 37 45.249 45.829 -0.580 1
1 367 . 18 1 1 A 37 37 GLY HA2 H 37 4.008 3.986 0.022 1
1 368 . 18 1 1 A 37 37 GLY HA3 H 37 4.008 4.003 0.005 1
1 369 . 18 1 1 A 37 37 GLY C C 37 174.005 174.183 -0.178 1
1 370 . 18 1 1 A 38 38 GLU N N 38 120.596 122.102 -1.506 1
1 371 . 18 1 1 A 38 38 GLU H H 38 8.130 7.528 0.602 1
1 372 . 18 1 1 A 38 38 GLU CA C 38 56.422 55.978 0.444 1
1 373 . 18 1 1 A 38 38 GLU HA H 38 4.265 4.358 -0.093 1
1 374 . 18 1 1 A 38 38 GLU CB C 38 30.578 30.094 0.484 1
1 380 . 18 1 1 A 38 38 GLU C C 38 176.250 175.901 0.349 1
1 381 . 18 1 1 A 39 39 LYS N N 39 123.746 124.620 -0.874 1
1 382 . 18 1 1 A 39 39 LYS H H 39 8.424 8.324 0.100 1
1 383 . 18 1 1 A 39 39 LYS CA C 39 54.157 55.017 -0.860 1
1 384 . 18 1 1 A 39 39 LYS HA H 39 4.612 4.425 0.187 1
1 385 . 18 1 1 A 39 39 LYS CB C 39 32.575 32.668 -0.093 1
1 395 . 18 1 1 A 39 39 LYS C C 39 174.466 175.732 -1.266 1
1 396 . 18 1 1 A 40 40 PRO CA C 40 63.253 62.704 0.549 1
1 397 . 18 1 1 A 40 40 PRO HA H 40 4.480 4.631 -0.151 1
1 398 . 18 1 1 A 40 40 PRO CB C 40 32.250 32.578 -0.328 1
1 406 . 18 1 1 A 42 42 GLY N N 42 110.630 116.252 -5.622 1
1 407 . 18 1 1 A 42 42 GLY H H 42 8.218 8.672 -0.454 1
1 408 . 18 1 1 A 42 42 GLY CA C 42 44.674 46.990 -2.316 1
1 409 . 18 1 1 A 42 42 GLY HA2 H 42 4.116 3.889 0.227 1
1 410 . 18 1 1 A 42 42 GLY HA3 H 42 4.165 3.890 0.275 1
1 411 . 18 1 1 A 43 43 PRO CA C 43 63.242 64.615 -1.373 1
1 412 . 18 1 1 A 43 43 PRO HA H 43 4.487 4.388 0.099 1
1 413 . 18 1 1 A 43 43 PRO CB C 43 32.343 31.912 0.431 1
1 420 . 18 1 1 A 44 44 SER N N 44 116.476 113.464 3.012 1
1 421 . 18 1 1 A 44 44 SER H H 44 8.466 8.375 0.091 1
1 422 . 18 1 1 A 44 44 SER CA C 44 58.347 61.125 -2.778 1
1 423 . 18 1 1 A 44 44 SER HA H 44 4.479 4.545 -0.066 1
1 424 . 18 1 1 A 44 44 SER CB C 44 64.148 64.319 -0.171 1
1 426 . 18 1 1 A 45 45 SER CA C 45 58.438 60.064 -1.626 1
1 427 . 18 1 1 A 45 45 SER HA H 45 4.493 4.355 0.138 1
1 428 . 18 1 1 A 45 45 SER CB C 45 63.960 63.877 0.083 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.478 45.553 -0.075 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.042 4.199 -0.157 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.042 4.200 -0.158 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.517 174.111 0.406 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.852 111.005 1.847 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.150 8.307 -0.157 1
1 7 . 19 1 1 A 8 8 THR CA C 8 62.463 62.754 -0.291 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.364 3.972 0.392 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.776 66.794 2.982 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.241 174.198 1.043 1
1 16 . 19 1 1 A 9 9 GLY N N 9 111.036 107.433 3.603 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.423 8.109 0.314 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.273 46.638 -1.365 1
1 19 . 19 1 1 A 9 9 GLY HA2 H 9 3.918 3.805 0.113 1
1 20 . 19 1 1 A 9 9 GLY HA3 H 9 3.965 3.807 0.158 1
1 21 . 19 1 1 A 9 9 GLY C C 9 174.013 173.971 0.042 1
1 22 . 19 1 1 A 10 10 GLU N N 10 120.348 117.680 2.668 1
1 23 . 19 1 1 A 10 10 GLU H H 10 8.209 7.858 0.351 1
1 24 . 19 1 1 A 10 10 GLU CA C 10 56.820 54.997 1.823 1
1 25 . 19 1 1 A 10 10 GLU HA H 10 4.193 4.753 -0.560 1
1 26 . 19 1 1 A 10 10 GLU CB C 10 30.457 31.335 -0.878 1
1 32 . 19 1 1 A 10 10 GLU C C 10 176.284 176.198 0.086 1
1 33 . 19 1 1 A 11 11 LYS N N 11 121.889 122.199 -0.310 1
1 34 . 19 1 1 A 11 11 LYS H H 11 8.297 8.840 -0.543 1
1 35 . 19 1 1 A 11 11 LYS CA C 11 53.828 53.781 0.047 1
1 36 . 19 1 1 A 11 11 LYS HA H 11 4.504 4.559 -0.055 1
1 37 . 19 1 1 A 11 11 LYS CB C 11 32.938 32.108 0.830 1
1 48 . 19 1 1 A 12 12 PRO CA C 12 63.404 64.360 -0.956 1
1 49 . 19 1 1 A 12 12 PRO HA H 12 4.258 4.301 -0.043 1
1 50 . 19 1 1 A 12 12 PRO CB C 12 32.224 31.515 0.709 1
1 59 . 19 1 1 A 12 12 PRO C C 12 176.340 175.723 0.617 1
1 60 . 19 1 1 A 13 13 TYR N N 13 118.367 118.362 0.005 1
1 61 . 19 1 1 A 13 13 TYR H H 13 7.933 7.436 0.497 1
1 62 . 19 1 1 A 13 13 TYR CA C 13 57.250 57.183 0.067 1
1 63 . 19 1 1 A 13 13 TYR HA H 13 4.664 5.043 -0.379 1
1 64 . 19 1 1 A 13 13 TYR CB C 13 38.486 39.367 -0.881 1
1 75 . 19 1 1 A 13 13 TYR C C 13 174.622 174.806 -0.184 1
1 76 . 19 1 1 A 14 14 GLU N N 14 124.142 124.458 -0.316 1
1 77 . 19 1 1 A 14 14 GLU H H 14 8.524 9.018 -0.494 1
1 78 . 19 1 1 A 14 14 GLU CA C 14 55.138 55.235 -0.097 1
1 79 . 19 1 1 A 14 14 GLU HA H 14 4.883 5.170 -0.287 1
1 80 . 19 1 1 A 14 14 GLU CB C 14 32.979 33.772 -0.793 1
1 86 . 19 1 1 A 14 14 GLU C C 14 175.112 174.514 0.598 1
1 87 . 19 1 1 A 15 15 CYS N N 15 126.468 124.568 1.900 1
1 88 . 19 1 1 A 15 15 CYS H H 15 9.176 9.144 0.032 1
1 89 . 19 1 1 A 15 15 CYS CA C 15 59.621 58.772 0.849 1
1 90 . 19 1 1 A 15 15 CYS HA H 15 4.549 4.827 -0.278 1
1 91 . 19 1 1 A 15 15 CYS CB C 15 29.673 29.186 0.487 1
1 94 . 19 1 1 A 15 15 CYS C C 15 177.028 176.232 0.796 1
1 95 . 19 1 1 A 16 16 LYS N N 16 130.332 122.213 8.119 1
1 96 . 19 1 1 A 16 16 LYS H H 16 9.220 8.558 0.662 1
1 97 . 19 1 1 A 16 16 LYS CA C 16 57.744 57.217 0.527 1
1 98 . 19 1 1 A 16 16 LYS HA H 16 4.284 4.528 -0.244 1
1 99 . 19 1 1 A 16 16 LYS CB C 16 32.162 33.847 -1.685 1
1 111 . 19 1 1 A 16 16 LYS C C 16 177.052 178.596 -1.544 1
1 112 . 19 1 1 A 17 17 VAL N N 17 121.440 119.951 1.489 1
1 113 . 19 1 1 A 17 17 VAL H H 17 8.817 7.434 1.383 1
1 114 . 19 1 1 A 17 17 VAL CA C 17 65.126 66.332 -1.206 1
1 115 . 19 1 1 A 17 17 VAL HA H 17 3.787 3.513 0.274 1
1 116 . 19 1 1 A 17 17 VAL CB C 17 32.790 31.454 1.336 1
1 126 . 19 1 1 A 17 17 VAL C C 17 177.095 177.677 -0.582 1
1 127 . 19 1 1 A 18 18 CYS N N 18 116.697 116.926 -0.229 1
1 128 . 19 1 1 A 18 18 CYS H H 18 8.024 7.984 0.040 1
1 129 . 19 1 1 A 18 18 CYS CA C 18 58.412 59.678 -1.266 1
1 130 . 19 1 1 A 18 18 CYS HA H 18 5.148 4.490 0.658 1
1 131 . 19 1 1 A 18 18 CYS CB C 18 32.282 28.716 3.566 1
1 134 . 19 1 1 A 18 18 CYS C C 18 175.649 174.727 0.922 1
1 135 . 19 1 1 A 19 19 SER N N 19 115.473 112.983 2.490 1
1 136 . 19 1 1 A 19 19 SER H H 19 8.025 8.111 -0.086 1
1 137 . 19 1 1 A 19 19 SER CA C 19 61.107 59.403 1.704 1
1 138 . 19 1 1 A 19 19 SER HA H 19 4.344 4.563 -0.219 1
1 139 . 19 1 1 A 19 19 SER CB C 19 62.187 60.741 1.446 1
1 142 . 19 1 1 A 19 19 SER C C 19 173.220 172.646 0.574 1
1 143 . 19 1 1 A 20 20 LYS N N 20 123.593 120.347 3.246 1
1 144 . 19 1 1 A 20 20 LYS H H 20 8.026 7.698 0.328 1
1 145 . 19 1 1 A 20 20 LYS CA C 20 58.115 54.988 3.127 1
1 146 . 19 1 1 A 20 20 LYS HA H 20 4.007 4.618 -0.611 1
1 147 . 19 1 1 A 20 20 LYS CB C 20 33.813 34.134 -0.321 1
1 159 . 19 1 1 A 20 20 LYS C C 20 173.846 175.037 -1.191 1
1 160 . 19 1 1 A 21 21 ALA N N 21 124.213 128.430 -4.217 1
1 161 . 19 1 1 A 21 21 ALA H H 21 7.837 8.741 -0.904 1
1 162 . 19 1 1 A 21 21 ALA CA C 21 50.509 50.951 -0.442 1
1 163 . 19 1 1 A 21 21 ALA HA H 21 5.125 5.466 -0.341 1
1 164 . 19 1 1 A 21 21 ALA CB C 21 22.361 21.064 1.297 1
1 168 . 19 1 1 A 21 21 ALA C C 21 176.165 176.446 -0.281 1
1 169 . 19 1 1 A 22 22 PHE N N 22 116.773 117.607 -0.834 1
1 170 . 19 1 1 A 22 22 PHE H H 22 8.660 9.278 -0.618 1
1 171 . 19 1 1 A 22 22 PHE CA C 22 57.228 56.875 0.353 1
1 172 . 19 1 1 A 22 22 PHE HA H 22 4.872 4.922 -0.050 1
1 173 . 19 1 1 A 22 22 PHE CB C 22 43.970 43.586 0.384 1
1 186 . 19 1 1 A 22 22 PHE C C 22 175.596 175.805 -0.209 1
1 187 . 19 1 1 A 23 23 THR N N 23 112.435 116.823 -4.388 1
1 188 . 19 1 1 A 23 23 THR H H 23 9.419 8.752 0.667 1
1 189 . 19 1 1 A 23 23 THR CA C 23 63.752 63.766 -0.014 1
1 190 . 19 1 1 A 23 23 THR HA H 23 4.538 4.405 0.133 1
1 191 . 19 1 1 A 23 23 THR CB C 23 69.791 69.931 -0.140 1
1 197 . 19 1 1 A 23 23 THR C C 23 174.879 174.162 0.717 1
1 198 . 19 1 1 A 24 24 GLN N N 24 116.006 117.506 -1.500 1
1 199 . 19 1 1 A 24 24 GLN H H 24 7.257 7.592 -0.335 1
1 200 . 19 1 1 A 24 24 GLN CA C 24 53.833 54.181 -0.348 1
1 201 . 19 1 1 A 24 24 GLN HA H 24 4.721 4.612 0.109 1
1 202 . 19 1 1 A 24 24 GLN CB C 24 31.008 31.721 -0.713 1
1 211 . 19 1 1 A 24 24 GLN C C 24 176.152 175.398 0.754 1
1 212 . 19 1 1 A 25 25 LYS N N 25 127.585 123.017 4.568 1
1 213 . 19 1 1 A 25 25 LYS H H 25 8.608 8.712 -0.104 1
1 214 . 19 1 1 A 25 25 LYS CA C 25 59.831 58.971 0.860 1
1 215 . 19 1 1 A 25 25 LYS HA H 25 2.994 3.345 -0.351 1
1 216 . 19 1 1 A 25 25 LYS CB C 25 31.771 32.418 -0.647 1
1 228 . 19 1 1 A 25 25 LYS C C 25 178.888 178.471 0.417 1
1 229 . 19 1 1 A 26 26 ALA CA C 26 54.777 55.234 -0.457 1
1 230 . 19 1 1 A 26 26 ALA HA H 26 4.073 4.033 0.040 1
1 231 . 19 1 1 A 26 26 ALA CB C 26 18.221 18.493 -0.272 1
1 235 . 19 1 1 A 26 26 ALA C C 26 180.193 179.954 0.239 1
1 236 . 19 1 1 A 27 27 HIS N N 27 115.655 116.027 -0.372 1
1 237 . 19 1 1 A 27 27 HIS H H 27 6.808 8.077 -1.269 1
1 238 . 19 1 1 A 27 27 HIS CA C 27 56.597 59.214 -2.617 1
1 239 . 19 1 1 A 27 27 HIS HA H 27 4.441 4.297 0.144 1
1 240 . 19 1 1 A 27 27 HIS CB C 27 31.644 30.069 1.575 1
1 247 . 19 1 1 A 27 27 HIS C C 27 178.584 177.151 1.433 1
1 248 . 19 1 1 A 28 28 LEU N N 28 121.599 120.422 1.177 1
1 249 . 19 1 1 A 28 28 LEU H H 28 7.008 7.821 -0.813 1
1 250 . 19 1 1 A 28 28 LEU CA C 28 57.764 57.528 0.236 1
1 251 . 19 1 1 A 28 28 LEU HA H 28 3.280 2.720 0.560 1
1 252 . 19 1 1 A 28 28 LEU CB C 28 40.215 41.448 -1.233 1
1 265 . 19 1 1 A 28 28 LEU C C 28 177.435 177.825 -0.390 1
1 266 . 19 1 1 A 29 29 ALA N N 29 121.543 120.704 0.839 1
1 267 . 19 1 1 A 29 29 ALA H H 29 8.100 8.639 -0.539 1
1 268 . 19 1 1 A 29 29 ALA CA C 29 55.208 55.546 -0.338 1
1 269 . 19 1 1 A 29 29 ALA HA H 29 4.148 3.947 0.201 1
1 270 . 19 1 1 A 29 29 ALA CB C 29 17.731 18.279 -0.548 1
1 274 . 19 1 1 A 29 29 ALA C C 29 180.709 180.057 0.652 1
1 275 . 19 1 1 A 30 30 GLN N N 30 116.397 116.805 -0.408 1
1 276 . 19 1 1 A 30 30 GLN H H 30 7.564 8.362 -0.798 1
1 277 . 19 1 1 A 30 30 GLN CA C 30 58.469 58.943 -0.474 1
1 278 . 19 1 1 A 30 30 GLN HA H 30 3.997 3.990 0.007 1
1 279 . 19 1 1 A 30 30 GLN CB C 30 28.395 28.347 0.048 1
1 288 . 19 1 1 A 30 30 GLN C C 30 178.538 178.069 0.469 1
1 289 . 19 1 1 A 31 31 HIS N N 31 119.006 120.255 -1.249 1
1 290 . 19 1 1 A 31 31 HIS H H 31 7.685 8.332 -0.647 1
1 291 . 19 1 1 A 31 31 HIS CA C 31 59.033 59.687 -0.654 1
1 292 . 19 1 1 A 31 31 HIS HA H 31 4.262 4.191 0.071 1
1 293 . 19 1 1 A 31 31 HIS CB C 31 28.627 29.627 -1.000 1
1 300 . 19 1 1 A 31 31 HIS C C 31 177.956 176.681 1.275 1
1 301 . 19 1 1 A 32 32 GLN N N 32 119.870 117.156 2.714 1
1 302 . 19 1 1 A 32 32 GLN H H 32 8.809 8.118 0.691 1
1 303 . 19 1 1 A 32 32 GLN CA C 32 59.611 59.159 0.452 1
1 304 . 19 1 1 A 32 32 GLN HA H 32 3.747 3.652 0.095 1
1 305 . 19 1 1 A 32 32 GLN CB C 32 28.255 28.122 0.133 1
1 314 . 19 1 1 A 32 32 GLN C C 32 177.728 178.621 -0.893 1
1 315 . 19 1 1 A 33 33 LYS N N 33 116.864 119.156 -2.292 1
1 316 . 19 1 1 A 33 33 LYS H H 33 7.108 7.724 -0.616 1
1 317 . 19 1 1 A 33 33 LYS CA C 33 58.613 59.225 -0.612 1
1 318 . 19 1 1 A 33 33 LYS HA H 33 4.149 3.892 0.257 1
1 319 . 19 1 1 A 33 33 LYS CB C 33 32.203 32.409 -0.206 1
1 331 . 19 1 1 A 33 33 LYS C C 33 178.099 178.695 -0.596 1
1 332 . 19 1 1 A 34 34 THR N N 34 109.562 112.617 -3.055 1
1 333 . 19 1 1 A 34 34 THR H H 34 7.736 8.356 -0.620 1
1 334 . 19 1 1 A 34 34 THR CA C 34 63.792 65.444 -1.652 1
1 335 . 19 1 1 A 34 34 THR HA H 34 4.131 3.951 0.180 1
1 336 . 19 1 1 A 34 34 THR CB C 34 69.387 67.828 1.559 1
1 342 . 19 1 1 A 34 34 THR C C 34 175.335 175.116 0.219 1
1 343 . 19 1 1 A 35 35 HIS N N 35 118.240 119.001 -0.761 1
1 344 . 19 1 1 A 35 35 HIS H H 35 7.156 7.680 -0.524 1
1 345 . 19 1 1 A 35 35 HIS CA C 35 55.103 55.832 -0.729 1
1 346 . 19 1 1 A 35 35 HIS HA H 35 4.972 4.453 0.519 1
1 347 . 19 1 1 A 35 35 HIS CB C 35 28.657 28.824 -0.167 1
1 354 . 19 1 1 A 35 35 HIS C C 35 175.393 175.840 -0.447 1
1 355 . 19 1 1 A 36 36 THR N N 36 113.040 114.634 -1.594 1
1 356 . 19 1 1 A 36 36 THR H H 36 7.839 8.118 -0.279 1
1 357 . 19 1 1 A 36 36 THR CA C 36 61.871 60.177 1.694 1
1 358 . 19 1 1 A 36 36 THR HA H 36 4.369 4.691 -0.322 1
1 359 . 19 1 1 A 36 36 THR CB C 36 69.836 68.455 1.381 1
1 365 . 19 1 1 A 36 36 THR C C 36 175.280 175.886 -0.606 1
1 366 . 19 1 1 A 37 37 GLY CA C 37 45.249 47.466 -2.217 1
1 367 . 19 1 1 A 37 37 GLY HA2 H 37 4.008 3.883 0.125 1
1 368 . 19 1 1 A 37 37 GLY HA3 H 37 4.008 3.884 0.124 1
1 369 . 19 1 1 A 37 37 GLY C C 37 174.005 175.520 -1.515 1
1 370 . 19 1 1 A 38 38 GLU N N 38 120.596 121.332 -0.736 1
1 371 . 19 1 1 A 38 38 GLU H H 38 8.130 8.139 -0.009 1
1 372 . 19 1 1 A 38 38 GLU CA C 38 56.422 59.221 -2.799 1
1 373 . 19 1 1 A 38 38 GLU HA H 38 4.265 4.030 0.235 1
1 374 . 19 1 1 A 38 38 GLU CB C 38 30.578 29.243 1.335 1
1 380 . 19 1 1 A 38 38 GLU C C 38 176.250 176.336 -0.086 1
1 381 . 19 1 1 A 39 39 LYS N N 39 123.746 119.533 4.213 1
1 382 . 19 1 1 A 39 39 LYS H H 39 8.424 8.038 0.386 1
1 383 . 19 1 1 A 39 39 LYS CA C 39 54.157 57.238 -3.081 1
1 384 . 19 1 1 A 39 39 LYS HA H 39 4.612 3.980 0.632 1
1 385 . 19 1 1 A 39 39 LYS CB C 39 32.575 30.925 1.650 1
1 395 . 19 1 1 A 39 39 LYS C C 39 174.466 177.332 -2.866 1
1 396 . 19 1 1 A 40 40 PRO CA C 40 63.253 64.628 -1.375 1
1 397 . 19 1 1 A 40 40 PRO HA H 40 4.480 4.467 0.013 1
1 398 . 19 1 1 A 40 40 PRO CB C 40 32.250 31.839 0.411 1
1 406 . 19 1 1 A 42 42 GLY N N 42 110.630 108.250 2.380 1
1 407 . 19 1 1 A 42 42 GLY H H 42 8.218 8.117 0.101 1
1 408 . 19 1 1 A 42 42 GLY CA C 42 44.674 47.014 -2.340 1
1 409 . 19 1 1 A 42 42 GLY HA2 H 42 4.116 3.892 0.224 1
1 410 . 19 1 1 A 42 42 GLY HA3 H 42 4.165 3.892 0.273 1
1 411 . 19 1 1 A 43 43 PRO CA C 43 63.242 64.651 -1.409 1
1 412 . 19 1 1 A 43 43 PRO HA H 43 4.487 4.507 -0.020 1
1 413 . 19 1 1 A 43 43 PRO CB C 43 32.343 32.100 0.243 1
1 420 . 19 1 1 A 44 44 SER N N 44 116.476 112.704 3.772 1
1 421 . 19 1 1 A 44 44 SER H H 44 8.466 7.637 0.829 1
1 422 . 19 1 1 A 44 44 SER CA C 44 58.347 56.939 1.408 1
1 423 . 19 1 1 A 44 44 SER HA H 44 4.479 4.735 -0.256 1
1 424 . 19 1 1 A 44 44 SER CB C 44 64.148 65.057 -0.909 1
1 426 . 19 1 1 A 45 45 SER CA C 45 58.438 57.222 1.216 1
1 427 . 19 1 1 A 45 45 SER HA H 45 4.493 4.761 -0.268 1
1 428 . 19 1 1 A 45 45 SER CB C 45 63.960 63.233 0.727 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.478 46.929 -1.451 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.042 3.860 0.182 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.042 3.860 0.182 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.517 173.633 0.884 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.852 112.798 0.054 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.150 7.871 0.279 1
1 7 . 20 1 1 A 8 8 THR CA C 8 62.463 59.535 2.928 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.364 5.161 -0.797 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.776 71.471 -1.695 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.241 173.565 1.676 1
1 16 . 20 1 1 A 9 9 GLY N N 9 111.036 110.614 0.422 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.423 8.899 -0.476 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.273 44.426 0.847 1
1 19 . 20 1 1 A 9 9 GLY HA2 H 9 3.918 4.400 -0.482 1
1 20 . 20 1 1 A 9 9 GLY HA3 H 9 3.965 4.401 -0.436 1
1 21 . 20 1 1 A 9 9 GLY C C 9 174.013 173.179 0.834 1
1 22 . 20 1 1 A 10 10 GLU N N 10 120.348 121.751 -1.403 1
1 23 . 20 1 1 A 10 10 GLU H H 10 8.209 8.592 -0.383 1
1 24 . 20 1 1 A 10 10 GLU CA C 10 56.820 55.806 1.014 1
1 25 . 20 1 1 A 10 10 GLU HA H 10 4.193 4.645 -0.452 1
1 26 . 20 1 1 A 10 10 GLU CB C 10 30.457 29.874 0.583 1
1 32 . 20 1 1 A 10 10 GLU C C 10 176.284 175.270 1.014 1
1 33 . 20 1 1 A 11 11 LYS N N 11 121.889 120.127 1.762 1
1 34 . 20 1 1 A 11 11 LYS H H 11 8.297 7.321 0.976 1
1 35 . 20 1 1 A 11 11 LYS CA C 11 53.828 52.634 1.194 1
1 36 . 20 1 1 A 11 11 LYS HA H 11 4.504 4.675 -0.171 1
1 37 . 20 1 1 A 11 11 LYS CB C 11 32.938 32.846 0.092 1
1 48 . 20 1 1 A 12 12 PRO CA C 12 63.404 63.945 -0.541 1
1 49 . 20 1 1 A 12 12 PRO HA H 12 4.258 4.342 -0.084 1
1 50 . 20 1 1 A 12 12 PRO CB C 12 32.224 31.368 0.856 1
1 59 . 20 1 1 A 12 12 PRO C C 12 176.340 175.685 0.655 1
1 60 . 20 1 1 A 13 13 TYR N N 13 118.367 118.635 -0.268 1
1 61 . 20 1 1 A 13 13 TYR H H 13 7.933 7.551 0.382 1
1 62 . 20 1 1 A 13 13 TYR CA C 13 57.250 56.731 0.519 1
1 63 . 20 1 1 A 13 13 TYR HA H 13 4.664 5.369 -0.705 1
1 64 . 20 1 1 A 13 13 TYR CB C 13 38.486 40.848 -2.362 1
1 75 . 20 1 1 A 13 13 TYR C C 13 174.622 174.177 0.445 1
1 76 . 20 1 1 A 14 14 GLU N N 14 124.142 125.005 -0.863 1
1 77 . 20 1 1 A 14 14 GLU H H 14 8.524 9.045 -0.521 1
1 78 . 20 1 1 A 14 14 GLU CA C 14 55.138 54.953 0.185 1
1 79 . 20 1 1 A 14 14 GLU HA H 14 4.883 5.180 -0.297 1
1 80 . 20 1 1 A 14 14 GLU CB C 14 32.979 33.472 -0.493 1
1 86 . 20 1 1 A 14 14 GLU C C 14 175.112 174.876 0.236 1
1 87 . 20 1 1 A 15 15 CYS N N 15 126.468 125.333 1.135 1
1 88 . 20 1 1 A 15 15 CYS H H 15 9.176 9.023 0.153 1
1 89 . 20 1 1 A 15 15 CYS CA C 15 59.621 58.727 0.894 1
1 90 . 20 1 1 A 15 15 CYS HA H 15 4.549 4.842 -0.293 1
1 91 . 20 1 1 A 15 15 CYS CB C 15 29.673 29.330 0.343 1
1 94 . 20 1 1 A 15 15 CYS C C 15 177.028 174.782 2.246 1
1 95 . 20 1 1 A 16 16 LYS N N 16 130.332 124.826 5.506 1
1 96 . 20 1 1 A 16 16 LYS H H 16 9.220 8.904 0.316 1
1 97 . 20 1 1 A 16 16 LYS CA C 16 57.744 56.316 1.428 1
1 98 . 20 1 1 A 16 16 LYS HA H 16 4.284 4.583 -0.299 1
1 99 . 20 1 1 A 16 16 LYS CB C 16 32.162 33.612 -1.450 1
1 111 . 20 1 1 A 16 16 LYS C C 16 177.052 178.075 -1.023 1
1 112 . 20 1 1 A 17 17 VAL N N 17 121.440 119.408 2.032 1
1 113 . 20 1 1 A 17 17 VAL H H 17 8.817 7.552 1.265 1
1 114 . 20 1 1 A 17 17 VAL CA C 17 65.126 65.814 -0.688 1
1 115 . 20 1 1 A 17 17 VAL HA H 17 3.787 3.585 0.202 1
1 116 . 20 1 1 A 17 17 VAL CB C 17 32.790 31.694 1.096 1
1 126 . 20 1 1 A 17 17 VAL C C 17 177.095 177.585 -0.490 1
1 127 . 20 1 1 A 18 18 CYS N N 18 116.697 115.529 1.168 1
1 128 . 20 1 1 A 18 18 CYS H H 18 8.024 7.967 0.057 1
1 129 . 20 1 1 A 18 18 CYS CA C 18 58.412 58.175 0.237 1
1 130 . 20 1 1 A 18 18 CYS HA H 18 5.148 4.621 0.527 1
1 131 . 20 1 1 A 18 18 CYS CB C 18 32.282 27.677 4.605 1
1 134 . 20 1 1 A 18 18 CYS C C 18 175.649 175.105 0.544 1
1 135 . 20 1 1 A 19 19 SER N N 19 115.473 115.619 -0.146 1
1 136 . 20 1 1 A 19 19 SER H H 19 8.025 8.133 -0.108 1
1 137 . 20 1 1 A 19 19 SER CA C 19 61.107 59.239 1.868 1
1 138 . 20 1 1 A 19 19 SER HA H 19 4.344 4.429 -0.085 1
1 139 . 20 1 1 A 19 19 SER CB C 19 62.187 62.058 0.129 1
1 142 . 20 1 1 A 19 19 SER C C 19 173.220 174.249 -1.029 1
1 143 . 20 1 1 A 20 20 LYS N N 20 123.593 121.821 1.772 1
1 144 . 20 1 1 A 20 20 LYS H H 20 8.026 7.816 0.210 1
1 145 . 20 1 1 A 20 20 LYS CA C 20 58.115 56.240 1.875 1
1 146 . 20 1 1 A 20 20 LYS HA H 20 4.007 4.226 -0.219 1
1 147 . 20 1 1 A 20 20 LYS CB C 20 33.813 32.855 0.958 1
1 159 . 20 1 1 A 20 20 LYS C C 20 173.846 175.786 -1.940 1
1 160 . 20 1 1 A 21 21 ALA N N 21 124.213 129.573 -5.360 1
1 161 . 20 1 1 A 21 21 ALA H H 21 7.837 8.496 -0.659 1
1 162 . 20 1 1 A 21 21 ALA CA C 21 50.509 50.944 -0.435 1
1 163 . 20 1 1 A 21 21 ALA HA H 21 5.125 5.058 0.067 1
1 164 . 20 1 1 A 21 21 ALA CB C 21 22.361 21.002 1.359 1
1 168 . 20 1 1 A 21 21 ALA C C 21 176.165 176.450 -0.285 1
1 169 . 20 1 1 A 22 22 PHE N N 22 116.773 117.408 -0.635 1
1 170 . 20 1 1 A 22 22 PHE H H 22 8.660 8.806 -0.146 1
1 171 . 20 1 1 A 22 22 PHE CA C 22 57.228 56.907 0.321 1
1 172 . 20 1 1 A 22 22 PHE HA H 22 4.872 5.033 -0.161 1
1 173 . 20 1 1 A 22 22 PHE CB C 22 43.970 43.792 0.178 1
1 186 . 20 1 1 A 22 22 PHE C C 22 175.596 175.689 -0.093 1
1 187 . 20 1 1 A 23 23 THR N N 23 112.435 116.365 -3.930 1
1 188 . 20 1 1 A 23 23 THR H H 23 9.419 9.016 0.403 1
1 189 . 20 1 1 A 23 23 THR CA C 23 63.752 63.775 -0.023 1
1 190 . 20 1 1 A 23 23 THR HA H 23 4.538 4.528 0.010 1
1 191 . 20 1 1 A 23 23 THR CB C 23 69.791 70.442 -0.651 1
1 197 . 20 1 1 A 23 23 THR C C 23 174.879 173.728 1.151 1
1 198 . 20 1 1 A 24 24 GLN N N 24 116.006 117.925 -1.919 1
1 199 . 20 1 1 A 24 24 GLN H H 24 7.257 7.799 -0.542 1
1 200 . 20 1 1 A 24 24 GLN CA C 24 53.833 54.382 -0.549 1
1 201 . 20 1 1 A 24 24 GLN HA H 24 4.721 4.561 0.160 1
1 202 . 20 1 1 A 24 24 GLN CB C 24 31.008 31.038 -0.030 1
1 211 . 20 1 1 A 24 24 GLN C C 24 176.152 175.694 0.458 1
1 212 . 20 1 1 A 25 25 LYS N N 25 127.585 123.051 4.534 1
1 213 . 20 1 1 A 25 25 LYS H H 25 8.608 8.124 0.484 1
1 214 . 20 1 1 A 25 25 LYS CA C 25 59.831 58.389 1.442 1
1 215 . 20 1 1 A 25 25 LYS HA H 25 2.994 3.257 -0.263 1
1 216 . 20 1 1 A 25 25 LYS CB C 25 31.771 31.388 0.383 1
1 228 . 20 1 1 A 25 25 LYS C C 25 178.888 177.880 1.008 1
1 229 . 20 1 1 A 26 26 ALA CA C 26 54.777 54.895 -0.118 1
1 230 . 20 1 1 A 26 26 ALA HA H 26 4.073 4.015 0.058 1
1 231 . 20 1 1 A 26 26 ALA CB C 26 18.221 18.319 -0.098 1
1 235 . 20 1 1 A 26 26 ALA C C 26 180.193 179.329 0.864 1
1 236 . 20 1 1 A 27 27 HIS N N 27 115.655 115.978 -0.323 1
1 237 . 20 1 1 A 27 27 HIS H H 27 6.808 7.771 -0.963 1
1 238 . 20 1 1 A 27 27 HIS CA C 27 56.597 59.323 -2.726 1
1 239 . 20 1 1 A 27 27 HIS HA H 27 4.441 4.186 0.255 1
1 240 . 20 1 1 A 27 27 HIS CB C 27 31.644 29.832 1.812 1
1 247 . 20 1 1 A 27 27 HIS C C 27 178.584 177.245 1.339 1
1 248 . 20 1 1 A 28 28 LEU N N 28 121.599 120.671 0.928 1
1 249 . 20 1 1 A 28 28 LEU H H 28 7.008 7.402 -0.394 1
1 250 . 20 1 1 A 28 28 LEU CA C 28 57.764 57.728 0.036 1
1 251 . 20 1 1 A 28 28 LEU HA H 28 3.280 3.135 0.145 1
1 252 . 20 1 1 A 28 28 LEU CB C 28 40.215 41.764 -1.549 1
1 265 . 20 1 1 A 28 28 LEU C C 28 177.435 177.935 -0.500 1
1 266 . 20 1 1 A 29 29 ALA N N 29 121.543 120.421 1.122 1
1 267 . 20 1 1 A 29 29 ALA H H 29 8.100 8.715 -0.615 1
1 268 . 20 1 1 A 29 29 ALA CA C 29 55.208 55.350 -0.142 1
1 269 . 20 1 1 A 29 29 ALA HA H 29 4.148 3.860 0.288 1
1 270 . 20 1 1 A 29 29 ALA CB C 29 17.731 18.326 -0.595 1
1 274 . 20 1 1 A 29 29 ALA C C 29 180.709 179.556 1.153 1
1 275 . 20 1 1 A 30 30 GLN N N 30 116.397 117.152 -0.755 1
1 276 . 20 1 1 A 30 30 GLN H H 30 7.564 7.512 0.052 1
1 277 . 20 1 1 A 30 30 GLN CA C 30 58.469 57.627 0.842 1
1 278 . 20 1 1 A 30 30 GLN HA H 30 3.997 4.109 -0.112 1
1 279 . 20 1 1 A 30 30 GLN CB C 30 28.395 28.724 -0.329 1
1 288 . 20 1 1 A 30 30 GLN C C 30 178.538 177.825 0.713 1
1 289 . 20 1 1 A 31 31 HIS N N 31 119.006 121.671 -2.665 1
1 290 . 20 1 1 A 31 31 HIS H H 31 7.685 8.304 -0.619 1
1 291 . 20 1 1 A 31 31 HIS CA C 31 59.033 58.865 0.168 1
1 292 . 20 1 1 A 31 31 HIS HA H 31 4.262 4.146 0.116 1
1 293 . 20 1 1 A 31 31 HIS CB C 31 28.627 30.182 -1.555 1
1 300 . 20 1 1 A 31 31 HIS C C 31 177.956 176.715 1.241 1
1 301 . 20 1 1 A 32 32 GLN N N 32 119.870 117.275 2.595 1
1 302 . 20 1 1 A 32 32 GLN H H 32 8.809 8.537 0.272 1
1 303 . 20 1 1 A 32 32 GLN CA C 32 59.611 59.083 0.528 1
1 304 . 20 1 1 A 32 32 GLN HA H 32 3.747 3.504 0.243 1
1 305 . 20 1 1 A 32 32 GLN CB C 32 28.255 28.185 0.070 1
1 314 . 20 1 1 A 32 32 GLN C C 32 177.728 177.967 -0.239 1
1 315 . 20 1 1 A 33 33 LYS N N 33 116.864 117.864 -1.000 1
1 316 . 20 1 1 A 33 33 LYS H H 33 7.108 7.609 -0.501 1
1 317 . 20 1 1 A 33 33 LYS CA C 33 58.613 58.893 -0.280 1
1 318 . 20 1 1 A 33 33 LYS HA H 33 4.149 4.043 0.106 1
1 319 . 20 1 1 A 33 33 LYS CB C 33 32.203 32.168 0.035 1
1 331 . 20 1 1 A 33 33 LYS C C 33 178.099 177.922 0.177 1
1 332 . 20 1 1 A 34 34 THR N N 34 109.562 110.999 -1.437 1
1 333 . 20 1 1 A 34 34 THR H H 34 7.736 8.247 -0.511 1
1 334 . 20 1 1 A 34 34 THR CA C 34 63.792 65.475 -1.683 1
1 335 . 20 1 1 A 34 34 THR HA H 34 4.131 3.982 0.149 1
1 336 . 20 1 1 A 34 34 THR CB C 34 69.387 67.955 1.432 1
1 342 . 20 1 1 A 34 34 THR C C 34 175.335 175.285 0.050 1
1 343 . 20 1 1 A 35 35 HIS N N 35 118.240 120.845 -2.605 1
1 344 . 20 1 1 A 35 35 HIS H H 35 7.156 7.435 -0.279 1
1 345 . 20 1 1 A 35 35 HIS CA C 35 55.103 57.130 -2.027 1
1 346 . 20 1 1 A 35 35 HIS HA H 35 4.972 4.422 0.550 1
1 347 . 20 1 1 A 35 35 HIS CB C 35 28.657 30.327 -1.670 1
1 354 . 20 1 1 A 35 35 HIS C C 35 175.393 175.458 -0.065 1
1 355 . 20 1 1 A 36 36 THR N N 36 113.040 118.385 -5.345 1
1 356 . 20 1 1 A 36 36 THR H H 36 7.839 8.460 -0.621 1
1 357 . 20 1 1 A 36 36 THR CA C 36 61.871 63.123 -1.252 1
1 358 . 20 1 1 A 36 36 THR HA H 36 4.369 4.265 0.104 1
1 359 . 20 1 1 A 36 36 THR CB C 36 69.836 68.919 0.917 1
1 365 . 20 1 1 A 36 36 THR C C 36 175.280 174.844 0.436 1
1 366 . 20 1 1 A 37 37 GLY CA C 37 45.249 45.764 -0.515 1
1 367 . 20 1 1 A 37 37 GLY HA2 H 37 4.008 4.149 -0.141 1
1 368 . 20 1 1 A 37 37 GLY HA3 H 37 4.008 4.153 -0.145 1
1 369 . 20 1 1 A 37 37 GLY C C 37 174.005 173.737 0.268 1
1 370 . 20 1 1 A 38 38 GLU N N 38 120.596 116.723 3.873 1
1 371 . 20 1 1 A 38 38 GLU H H 38 8.130 7.759 0.371 1
1 372 . 20 1 1 A 38 38 GLU CA C 38 56.422 54.622 1.800 1
1 373 . 20 1 1 A 38 38 GLU HA H 38 4.265 4.808 -0.543 1
1 374 . 20 1 1 A 38 38 GLU CB C 38 30.578 33.091 -2.513 1
1 380 . 20 1 1 A 38 38 GLU C C 38 176.250 174.350 1.900 1
1 381 . 20 1 1 A 39 39 LYS N N 39 123.746 121.955 1.791 1
1 382 . 20 1 1 A 39 39 LYS H H 39 8.424 8.602 -0.178 1
1 383 . 20 1 1 A 39 39 LYS CA C 39 54.157 52.874 1.283 1
1 384 . 20 1 1 A 39 39 LYS HA H 39 4.612 4.791 -0.179 1
1 385 . 20 1 1 A 39 39 LYS CB C 39 32.575 33.200 -0.625 1
1 395 . 20 1 1 A 39 39 LYS C C 39 174.466 174.276 0.190 1
1 396 . 20 1 1 A 40 40 PRO CA C 40 63.253 62.298 0.955 1
1 397 . 20 1 1 A 40 40 PRO HA H 40 4.480 4.638 -0.158 1
1 398 . 20 1 1 A 40 40 PRO CB C 40 32.250 32.686 -0.436 1
1 406 . 20 1 1 A 42 42 GLY N N 42 110.630 111.874 -1.244 1
1 407 . 20 1 1 A 42 42 GLY H H 42 8.218 8.469 -0.251 1
1 408 . 20 1 1 A 42 42 GLY CA C 42 44.674 44.138 0.536 1
1 409 . 20 1 1 A 42 42 GLY HA2 H 42 4.116 4.095 0.021 1
1 410 . 20 1 1 A 42 42 GLY HA3 H 42 4.165 4.095 0.070 1
1 411 . 20 1 1 A 43 43 PRO CA C 43 63.242 64.629 -1.387 1
1 412 . 20 1 1 A 43 43 PRO HA H 43 4.487 4.390 0.097 1
1 413 . 20 1 1 A 43 43 PRO CB C 43 32.343 32.240 0.103 1
1 420 . 20 1 1 A 44 44 SER N N 44 116.476 114.829 1.647 1
1 421 . 20 1 1 A 44 44 SER H H 44 8.466 7.856 0.610 1
1 422 . 20 1 1 A 44 44 SER CA C 44 58.347 57.599 0.748 1
1 423 . 20 1 1 A 44 44 SER HA H 44 4.479 4.831 -0.352 1
1 424 . 20 1 1 A 44 44 SER CB C 44 64.148 66.281 -2.133 1
1 426 . 20 1 1 A 45 45 SER CA C 45 58.438 59.320 -0.882 1
1 427 . 20 1 1 A 45 45 SER HA H 45 4.493 4.356 0.137 1
1 428 . 20 1 1 A 45 45 SER CB C 45 63.960 62.995 0.965 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 32 1.026 1
2 1 1 1 "RMS(OBS, PRED)" CA 38 1.463 1
3 1 1 1 "RMS(OBS, PRED)" CB 34 1.435 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.559 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.365 1
6 1 1 1 "RMS(OBS, PRED)" N 31 2.611 1
7 1 2 1 "RMS(OBS, PRED)" C 32 0.931 1
8 1 2 1 "RMS(OBS, PRED)" CA 38 1.648 1
9 1 2 1 "RMS(OBS, PRED)" CB 34 1.276 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.554 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.326 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.431 1
13 1 3 1 "RMS(OBS, PRED)" C 32 1.048 1
14 1 3 1 "RMS(OBS, PRED)" CA 38 1.105 1
15 1 3 1 "RMS(OBS, PRED)" CB 34 1.211 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.559 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.288 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.803 1
19 1 4 1 "RMS(OBS, PRED)" C 32 1.144 1
20 1 4 1 "RMS(OBS, PRED)" CA 38 1.176 1
21 1 4 1 "RMS(OBS, PRED)" CB 34 1.589 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.584 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.308 1
24 1 4 1 "RMS(OBS, PRED)" N 31 2.441 1
25 1 5 1 "RMS(OBS, PRED)" C 32 0.965 1
26 1 5 1 "RMS(OBS, PRED)" CA 38 1.192 1
27 1 5 1 "RMS(OBS, PRED)" CB 34 1.355 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.531 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.325 1
30 1 5 1 "RMS(OBS, PRED)" N 31 2.607 1
31 1 6 1 "RMS(OBS, PRED)" C 32 0.972 1
32 1 6 1 "RMS(OBS, PRED)" CA 38 1.153 1
33 1 6 1 "RMS(OBS, PRED)" CB 34 1.309 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.555 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.309 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.684 1
37 1 7 1 "RMS(OBS, PRED)" C 32 0.916 1
38 1 7 1 "RMS(OBS, PRED)" CA 38 1.229 1
39 1 7 1 "RMS(OBS, PRED)" CB 34 1.463 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.577 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.318 1
42 1 7 1 "RMS(OBS, PRED)" N 31 3.459 1
43 1 8 1 "RMS(OBS, PRED)" C 32 0.957 1
44 1 8 1 "RMS(OBS, PRED)" CA 38 1.176 1
45 1 8 1 "RMS(OBS, PRED)" CB 34 1.465 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.530 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.282 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.740 1
49 1 9 1 "RMS(OBS, PRED)" C 32 1.104 1
50 1 9 1 "RMS(OBS, PRED)" CA 38 1.234 1
51 1 9 1 "RMS(OBS, PRED)" CB 34 1.351 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.594 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.283 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.584 1
55 1 10 1 "RMS(OBS, PRED)" C 32 1.053 1
56 1 10 1 "RMS(OBS, PRED)" CA 38 1.385 1
57 1 10 1 "RMS(OBS, PRED)" CB 34 1.255 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.499 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.344 1
60 1 10 1 "RMS(OBS, PRED)" N 31 2.915 1
61 1 11 1 "RMS(OBS, PRED)" C 32 1.090 1
62 1 11 1 "RMS(OBS, PRED)" CA 38 1.248 1
63 1 11 1 "RMS(OBS, PRED)" CB 34 1.414 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.528 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.323 1
66 1 11 1 "RMS(OBS, PRED)" N 31 2.696 1
67 1 12 1 "RMS(OBS, PRED)" C 32 0.929 1
68 1 12 1 "RMS(OBS, PRED)" CA 38 1.150 1
69 1 12 1 "RMS(OBS, PRED)" CB 34 1.094 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.657 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.330 1
72 1 12 1 "RMS(OBS, PRED)" N 31 3.138 1
73 1 13 1 "RMS(OBS, PRED)" C 32 0.965 1
74 1 13 1 "RMS(OBS, PRED)" CA 38 1.221 1
75 1 13 1 "RMS(OBS, PRED)" CB 34 1.452 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.561 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.316 1
78 1 13 1 "RMS(OBS, PRED)" N 31 2.804 1
79 1 14 1 "RMS(OBS, PRED)" C 32 0.838 1
80 1 14 1 "RMS(OBS, PRED)" CA 38 1.132 1
81 1 14 1 "RMS(OBS, PRED)" CB 34 1.203 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.598 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.279 1
84 1 14 1 "RMS(OBS, PRED)" N 31 3.207 1
85 1 15 1 "RMS(OBS, PRED)" C 32 1.030 1
86 1 15 1 "RMS(OBS, PRED)" CA 38 1.529 1
87 1 15 1 "RMS(OBS, PRED)" CB 34 1.372 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.583 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.362 1
90 1 15 1 "RMS(OBS, PRED)" N 31 2.396 1
91 1 16 1 "RMS(OBS, PRED)" C 32 1.141 1
92 1 16 1 "RMS(OBS, PRED)" CA 38 1.251 1
93 1 16 1 "RMS(OBS, PRED)" CB 34 1.516 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.557 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.275 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.920 1
97 1 17 1 "RMS(OBS, PRED)" C 32 0.840 1
98 1 17 1 "RMS(OBS, PRED)" CA 38 1.053 1
99 1 17 1 "RMS(OBS, PRED)" CB 34 1.018 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.595 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.299 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.629 1
103 1 18 1 "RMS(OBS, PRED)" C 32 0.858 1
104 1 18 1 "RMS(OBS, PRED)" CA 38 1.299 1
105 1 18 1 "RMS(OBS, PRED)" CB 34 1.439 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.557 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.276 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.607 1
109 1 19 1 "RMS(OBS, PRED)" C 32 0.919 1
110 1 19 1 "RMS(OBS, PRED)" CA 38 1.412 1
111 1 19 1 "RMS(OBS, PRED)" CB 34 1.239 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.614 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.302 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.830 1
115 1 20 1 "RMS(OBS, PRED)" C 32 0.988 1
116 1 20 1 "RMS(OBS, PRED)" CA 38 1.210 1
117 1 20 1 "RMS(OBS, PRED)" CB 34 1.397 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.524 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.304 1
120 1 20 1 "RMS(OBS, PRED)" N 31 2.534 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 45.478 45.056 0.421 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.042 4.076 -0.034 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.042 4.077 -0.035 2
1 4 . 1 1 A 7 7 GLY C C 7 174.517 173.569 0.948 2
1 5 . 1 1 A 8 8 THR N N 8 112.852 114.995 -2.143 2
1 6 . 1 1 A 8 8 THR H H 8 8.150 8.308 -0.158 2
1 7 . 1 1 A 8 8 THR CA C 8 62.463 61.896 0.567 2
1 8 . 1 1 A 8 8 THR HA H 8 4.364 4.555 -0.191 2
1 9 . 1 1 A 8 8 THR CB C 8 69.776 69.935 -0.159 2
1 15 . 1 1 A 8 8 THR C C 8 175.241 174.255 0.986 2
1 16 . 1 1 A 9 9 GLY N N 9 111.036 110.971 0.065 2
1 17 . 1 1 A 9 9 GLY H H 9 8.423 8.337 0.086 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.273 45.215 0.058 2
1 19 . 1 1 A 9 9 GLY HA2 H 9 3.918 4.071 -0.153 2
1 20 . 1 1 A 9 9 GLY HA3 H 9 3.965 4.074 -0.109 2
1 21 . 1 1 A 9 9 GLY C C 9 174.013 173.264 0.749 2
1 22 . 1 1 A 10 10 GLU N N 10 120.348 120.526 -0.178 2
1 23 . 1 1 A 10 10 GLU H H 10 8.209 8.496 -0.287 2
1 24 . 1 1 A 10 10 GLU CA C 10 56.820 55.405 1.415 2
1 25 . 1 1 A 10 10 GLU HA H 10 4.193 4.756 -0.563 2
1 26 . 1 1 A 10 10 GLU CB C 10 30.457 30.885 -0.428 2
1 32 . 1 1 A 10 10 GLU C C 10 176.284 175.653 0.631 2
1 33 . 1 1 A 11 11 LYS N N 11 121.889 122.881 -0.992 2
1 34 . 1 1 A 11 11 LYS H H 11 8.297 8.151 0.146 2
1 35 . 1 1 A 11 11 LYS CA C 11 53.828 53.845 -0.017 2
1 36 . 1 1 A 11 11 LYS HA H 11 4.504 4.609 -0.105 2
1 37 . 1 1 A 11 11 LYS CB C 11 32.938 33.076 -0.138 2
1 48 . 1 1 A 12 12 PRO CA C 12 63.404 64.180 -0.776 2
1 49 . 1 1 A 12 12 PRO HA H 12 4.258 4.329 -0.071 2
1 50 . 1 1 A 12 12 PRO CB C 12 32.224 31.460 0.764 2
1 59 . 1 1 A 12 12 PRO C C 12 176.340 175.736 0.604 2
1 60 . 1 1 A 13 13 TYR N N 13 118.367 118.592 -0.225 2
1 61 . 1 1 A 13 13 TYR H H 13 7.933 7.534 0.399 2
1 62 . 1 1 A 13 13 TYR CA C 13 57.250 56.917 0.333 2
1 63 . 1 1 A 13 13 TYR HA H 13 4.664 5.230 -0.566 2
1 64 . 1 1 A 13 13 TYR CB C 13 38.486 40.303 -1.817 2
1 75 . 1 1 A 13 13 TYR C C 13 174.622 174.483 0.139 2
1 76 . 1 1 A 14 14 GLU N N 14 124.142 124.788 -0.646 2
1 77 . 1 1 A 14 14 GLU H H 14 8.524 9.036 -0.512 2
1 78 . 1 1 A 14 14 GLU CA C 14 55.138 55.046 0.092 2
1 79 . 1 1 A 14 14 GLU HA H 14 4.883 5.232 -0.349 2
1 80 . 1 1 A 14 14 GLU CB C 14 32.979 33.583 -0.604 2
1 86 . 1 1 A 14 14 GLU C C 14 175.112 174.974 0.138 2
1 87 . 1 1 A 15 15 CYS N N 15 126.468 125.380 1.088 2
1 88 . 1 1 A 15 15 CYS H H 15 9.176 9.261 -0.085 2
1 89 . 1 1 A 15 15 CYS CA C 15 59.621 59.004 0.617 2
1 90 . 1 1 A 15 15 CYS HA H 15 4.549 4.791 -0.242 2
1 91 . 1 1 A 15 15 CYS CB C 15 29.673 29.198 0.475 2
1 94 . 1 1 A 15 15 CYS C C 15 177.028 174.877 2.151 2
1 95 . 1 1 A 16 16 LYS N N 16 130.332 124.744 5.588 2
1 96 . 1 1 A 16 16 LYS H H 16 9.220 8.883 0.337 2
1 97 . 1 1 A 16 16 LYS CA C 16 57.744 57.036 0.707 2
1 98 . 1 1 A 16 16 LYS HA H 16 4.284 4.494 -0.210 2
1 99 . 1 1 A 16 16 LYS CB C 16 32.162 33.664 -1.502 2
1 111 . 1 1 A 16 16 LYS C C 16 177.052 178.483 -1.431 2
1 112 . 1 1 A 17 17 VAL N N 17 121.440 119.598 1.842 2
1 113 . 1 1 A 17 17 VAL H H 17 8.817 7.649 1.168 2
1 114 . 1 1 A 17 17 VAL CA C 17 65.126 66.266 -1.140 2
1 115 . 1 1 A 17 17 VAL HA H 17 3.787 3.519 0.268 2
1 116 . 1 1 A 17 17 VAL CB C 17 32.790 31.482 1.308 2
1 126 . 1 1 A 17 17 VAL C C 17 177.095 177.546 -0.451 2
1 127 . 1 1 A 18 18 CYS N N 18 116.697 116.078 0.619 2
1 128 . 1 1 A 18 18 CYS H H 18 8.024 7.924 0.100 2
1 129 . 1 1 A 18 18 CYS CA C 18 58.412 59.025 -0.613 2
1 130 . 1 1 A 18 18 CYS HA H 18 5.148 4.531 0.617 2
1 131 . 1 1 A 18 18 CYS CB C 18 32.282 28.317 3.965 2
1 134 . 1 1 A 18 18 CYS C C 18 175.649 174.990 0.659 2
1 135 . 1 1 A 19 19 SER N N 19 115.473 114.391 1.082 2
1 136 . 1 1 A 19 19 SER H H 19 8.025 8.158 -0.133 2
1 137 . 1 1 A 19 19 SER CA C 19 61.107 59.286 1.821 2
1 138 . 1 1 A 19 19 SER HA H 19 4.344 4.506 -0.162 2
1 139 . 1 1 A 19 19 SER CB C 19 62.187 61.318 0.869 2
1 142 . 1 1 A 19 19 SER C C 19 173.220 173.459 -0.239 2
1 143 . 1 1 A 20 20 LYS N N 20 123.593 121.161 2.432 2
1 144 . 1 1 A 20 20 LYS H H 20 8.026 7.689 0.337 2
1 145 . 1 1 A 20 20 LYS CA C 20 58.115 55.486 2.629 2
1 146 . 1 1 A 20 20 LYS HA H 20 4.007 4.510 -0.503 2
1 147 . 1 1 A 20 20 LYS CB C 20 33.813 33.968 -0.155 2
1 159 . 1 1 A 20 20 LYS C C 20 173.846 175.316 -1.470 2
1 160 . 1 1 A 21 21 ALA N N 21 124.213 127.839 -3.626 2
1 161 . 1 1 A 21 21 ALA H H 21 7.837 8.531 -0.694 2
1 162 . 1 1 A 21 21 ALA CA C 21 50.509 50.541 -0.032 2
1 163 . 1 1 A 21 21 ALA HA H 21 5.125 5.347 -0.222 2
1 164 . 1 1 A 21 21 ALA CB C 21 22.361 21.520 0.841 2
1 168 . 1 1 A 21 21 ALA C C 21 176.165 176.112 0.053 2
1 169 . 1 1 A 22 22 PHE N N 22 116.773 117.842 -1.069 2
1 170 . 1 1 A 22 22 PHE H H 22 8.660 8.805 -0.145 2
1 171 . 1 1 A 22 22 PHE CA C 22 57.228 56.733 0.495 2
1 172 . 1 1 A 22 22 PHE HA H 22 4.872 4.934 -0.062 2
1 173 . 1 1 A 22 22 PHE CB C 22 43.970 43.355 0.615 2
1 186 . 1 1 A 22 22 PHE C C 22 175.596 175.785 -0.189 2
1 187 . 1 1 A 23 23 THR N N 23 112.435 115.876 -3.441 2
1 188 . 1 1 A 23 23 THR H H 23 9.419 8.741 0.678 2
1 189 . 1 1 A 23 23 THR CA C 23 63.752 63.692 0.060 2
1 190 . 1 1 A 23 23 THR HA H 23 4.538 4.445 0.093 2
1 191 . 1 1 A 23 23 THR CB C 23 69.791 69.791 -0.000 2
1 197 . 1 1 A 23 23 THR C C 23 174.879 174.345 0.534 2
1 198 . 1 1 A 24 24 GLN N N 24 116.006 118.771 -2.765 2
1 199 . 1 1 A 24 24 GLN H H 24 7.257 7.793 -0.536 2
1 200 . 1 1 A 24 24 GLN CA C 24 53.833 54.319 -0.486 2
1 201 . 1 1 A 24 24 GLN HA H 24 4.721 4.661 0.060 2
1 202 . 1 1 A 24 24 GLN CB C 24 31.008 31.496 -0.488 2
1 211 . 1 1 A 24 24 GLN C C 24 176.152 175.688 0.464 2
1 212 . 1 1 A 25 25 LYS N N 25 127.585 122.956 4.629 2
1 213 . 1 1 A 25 25 LYS H H 25 8.608 8.458 0.150 2
1 214 . 1 1 A 25 25 LYS CA C 25 59.831 58.915 0.916 2
1 215 . 1 1 A 25 25 LYS HA H 25 2.994 3.208 -0.214 2
1 216 . 1 1 A 25 25 LYS CB C 25 31.771 31.872 -0.101 2
1 228 . 1 1 A 25 25 LYS C C 25 178.888 178.232 0.656 2
1 229 . 1 1 A 26 26 ALA CA C 26 54.777 55.041 -0.264 2
1 230 . 1 1 A 26 26 ALA HA H 26 4.073 4.000 0.073 2
1 231 . 1 1 A 26 26 ALA CB C 26 18.221 18.319 -0.098 2
1 235 . 1 1 A 26 26 ALA C C 26 180.193 179.568 0.625 2
1 236 . 1 1 A 27 27 HIS N N 27 115.655 116.236 -0.581 2
1 237 . 1 1 A 27 27 HIS H H 27 6.808 7.895 -1.087 2
1 238 . 1 1 A 27 27 HIS CA C 27 56.597 59.435 -2.838 2
1 239 . 1 1 A 27 27 HIS HA H 27 4.441 4.245 0.196 2
1 240 . 1 1 A 27 27 HIS CB C 27 31.644 29.969 1.675 2
1 247 . 1 1 A 27 27 HIS C C 27 178.584 177.149 1.435 2
1 248 . 1 1 A 28 28 LEU N N 28 121.599 120.526 1.073 2
1 249 . 1 1 A 28 28 LEU H H 28 7.008 7.635 -0.627 2
1 250 . 1 1 A 28 28 LEU CA C 28 57.764 57.563 0.201 2
1 251 . 1 1 A 28 28 LEU HA H 28 3.280 2.908 0.372 2
1 252 . 1 1 A 28 28 LEU CB C 28 40.215 41.555 -1.340 2
1 265 . 1 1 A 28 28 LEU C C 28 177.435 177.884 -0.449 2
1 266 . 1 1 A 29 29 ALA N N 29 121.543 120.516 1.027 2
1 267 . 1 1 A 29 29 ALA H H 29 8.100 8.602 -0.502 2
1 268 . 1 1 A 29 29 ALA CA C 29 55.208 55.481 -0.273 2
1 269 . 1 1 A 29 29 ALA HA H 29 4.148 3.951 0.197 2
1 270 . 1 1 A 29 29 ALA CB C 29 17.731 18.318 -0.587 2
1 274 . 1 1 A 29 29 ALA C C 29 180.709 179.686 1.023 2
1 275 . 1 1 A 30 30 GLN N N 30 116.397 117.561 -1.164 2
1 276 . 1 1 A 30 30 GLN H H 30 7.564 7.949 -0.385 2
1 277 . 1 1 A 30 30 GLN CA C 30 58.469 58.530 -0.061 2
1 278 . 1 1 A 30 30 GLN HA H 30 3.997 4.025 -0.028 2
1 279 . 1 1 A 30 30 GLN CB C 30 28.395 28.450 -0.055 2
1 288 . 1 1 A 30 30 GLN C C 30 178.538 178.077 0.461 2
1 289 . 1 1 A 31 31 HIS N N 31 119.006 120.118 -1.112 2
1 290 . 1 1 A 31 31 HIS H H 31 7.685 8.159 -0.474 2
1 291 . 1 1 A 31 31 HIS CA C 31 59.033 59.320 -0.287 2
1 292 . 1 1 A 31 31 HIS HA H 31 4.262 4.171 0.091 2
1 293 . 1 1 A 31 31 HIS CB C 31 28.627 29.873 -1.246 2
1 300 . 1 1 A 31 31 HIS C C 31 177.956 176.798 1.158 2
1 301 . 1 1 A 32 32 GLN N N 32 119.870 117.365 2.505 2
1 302 . 1 1 A 32 32 GLN H H 32 8.809 8.469 0.340 2
1 303 . 1 1 A 32 32 GLN CA C 32 59.611 59.046 0.565 2
1 304 . 1 1 A 32 32 GLN HA H 32 3.747 3.643 0.104 2
1 305 . 1 1 A 32 32 GLN CB C 32 28.255 28.234 0.021 2
1 314 . 1 1 A 32 32 GLN C C 32 177.728 178.288 -0.560 2
1 315 . 1 1 A 33 33 LYS N N 33 116.864 118.865 -2.001 2
1 316 . 1 1 A 33 33 LYS H H 33 7.108 7.827 -0.719 2
1 317 . 1 1 A 33 33 LYS CA C 33 58.613 59.051 -0.438 2
1 318 . 1 1 A 33 33 LYS HA H 33 4.149 3.975 0.174 2
1 319 . 1 1 A 33 33 LYS CB C 33 32.203 32.304 -0.101 2
1 331 . 1 1 A 33 33 LYS C C 33 178.099 178.666 -0.567 2
1 332 . 1 1 A 34 34 THR N N 34 109.562 113.563 -4.001 2
1 333 . 1 1 A 34 34 THR H H 34 7.736 8.245 -0.509 2
1 334 . 1 1 A 34 34 THR CA C 34 63.792 65.119 -1.327 2
1 335 . 1 1 A 34 34 THR HA H 34 4.131 3.970 0.161 2
1 336 . 1 1 A 34 34 THR CB C 34 69.387 68.375 1.012 2
1 342 . 1 1 A 34 34 THR C C 34 175.335 175.436 -0.101 2
1 343 . 1 1 A 35 35 HIS N N 35 118.240 119.360 -1.120 2
1 344 . 1 1 A 35 35 HIS H H 35 7.156 7.665 -0.509 2
1 345 . 1 1 A 35 35 HIS CA C 35 55.103 57.082 -1.979 2
1 346 . 1 1 A 35 35 HIS HA H 35 4.972 4.453 0.519 2
1 347 . 1 1 A 35 35 HIS CB C 35 28.657 29.988 -1.331 2
1 354 . 1 1 A 35 35 HIS C C 35 175.393 175.524 -0.131 2
1 355 . 1 1 A 36 36 THR N N 36 113.040 115.789 -2.749 2
1 356 . 1 1 A 36 36 THR H H 36 7.839 8.428 -0.589 2
1 357 . 1 1 A 36 36 THR CA C 36 61.871 62.231 -0.360 2
1 358 . 1 1 A 36 36 THR HA H 36 4.369 4.424 -0.055 2
1 359 . 1 1 A 36 36 THR CB C 36 69.836 69.343 0.493 2
1 365 . 1 1 A 36 36 THR C C 36 175.280 174.718 0.562 2
1 366 . 1 1 A 37 37 GLY CA C 37 45.249 45.807 -0.558 2
1 367 . 1 1 A 37 37 GLY HA2 H 37 4.008 4.046 -0.038 2
1 368 . 1 1 A 37 37 GLY HA3 H 37 4.008 4.050 -0.042 2
1 369 . 1 1 A 37 37 GLY C C 37 174.005 173.644 0.361 2
1 370 . 1 1 A 38 38 GLU N N 38 120.596 121.736 -1.140 2
1 371 . 1 1 A 38 38 GLU H H 38 8.130 8.305 -0.175 2
1 372 . 1 1 A 38 38 GLU CA C 38 56.422 55.998 0.424 2
1 373 . 1 1 A 38 38 GLU HA H 38 4.265 4.583 -0.318 2
1 374 . 1 1 A 38 38 GLU CB C 38 30.578 30.852 -0.274 2
1 380 . 1 1 A 38 38 GLU C C 38 176.250 175.522 0.728 2
1 381 . 1 1 A 39 39 LYS N N 39 123.746 123.483 0.263 2
1 382 . 1 1 A 39 39 LYS H H 39 8.424 8.329 0.095 2
1 383 . 1 1 A 39 39 LYS CA C 39 54.157 54.129 0.028 2
1 384 . 1 1 A 39 39 LYS HA H 39 4.612 4.632 -0.020 2
1 385 . 1 1 A 39 39 LYS CB C 39 32.575 33.443 -0.868 2
1 395 . 1 1 A 39 39 LYS C C 39 174.466 174.937 -0.471 2
1 396 . 1 1 A 40 40 PRO CA C 40 63.253 63.048 0.205 2
1 397 . 1 1 A 40 40 PRO HA H 40 4.480 4.565 -0.085 2
1 398 . 1 1 A 40 40 PRO CB C 40 32.250 31.884 0.366 2
1 406 . 1 1 A 42 42 GLY N N 42 110.630 110.951 -0.321 2
1 407 . 1 1 A 42 42 GLY H H 42 8.218 8.256 -0.038 2
1 408 . 1 1 A 42 42 GLY CA C 42 44.674 45.327 -0.653 2
1 409 . 1 1 A 42 42 GLY HA2 H 42 4.116 4.082 0.034 2
1 410 . 1 1 A 42 42 GLY HA3 H 42 4.165 4.083 0.082 2
1 411 . 1 1 A 43 43 PRO CA C 43 63.242 63.390 -0.148 2
1 412 . 1 1 A 43 43 PRO HA H 43 4.487 4.546 -0.059 2
1 413 . 1 1 A 43 43 PRO CB C 43 32.343 31.904 0.439 2
1 420 . 1 1 A 44 44 SER N N 44 116.476 115.764 0.712 2
1 421 . 1 1 A 44 44 SER H H 44 8.466 8.264 0.201 2
1 422 . 1 1 A 44 44 SER CA C 44 58.347 58.068 0.279 2
1 423 . 1 1 A 44 44 SER HA H 44 4.479 4.604 -0.126 2
1 424 . 1 1 A 44 44 SER CB C 44 64.148 63.998 0.150 2
1 426 . 1 1 A 45 45 SER CA C 45 58.438 58.386 0.052 2
1 427 . 1 1 A 45 45 SER HA H 45 4.493 4.630 -0.137 2
1 428 . 1 1 A 45 45 SER CB C 45 63.960 64.267 -0.307 2
stop_
save_