data_10196_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10196
_Entry.PDB_ID 2EM5
_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 10 10 THR CA C 10 62.043 62.267 -0.224 1
1 2 . 1 1 1 A 10 10 THR HA H 10 4.275 4.508 -0.233 1
1 3 . 1 1 1 A 10 10 THR CB C 10 69.619 69.571 0.048 1
1 9 . 1 1 1 A 10 10 THR C C 10 174.384 174.605 -0.221 1
1 10 . 1 1 1 A 11 11 LYS N N 11 124.060 120.770 3.290 1
1 11 . 1 1 1 A 11 11 LYS H H 11 8.302 7.878 0.424 1
1 12 . 1 1 1 A 11 11 LYS CA C 11 55.798 55.321 0.477 1
1 13 . 1 1 1 A 11 11 LYS HA H 11 4.240 4.699 -0.459 1
1 14 . 1 1 1 A 11 11 LYS CB C 11 32.582 35.957 -3.375 1
1 25 . 1 1 1 A 11 11 LYS C C 11 175.995 175.834 0.161 1
1 26 . 1 1 1 A 12 12 SER N N 12 116.110 118.347 -2.237 1
1 27 . 1 1 1 A 12 12 SER H H 12 7.977 8.809 -0.832 1
1 28 . 1 1 1 A 12 12 SER CA C 12 58.636 62.230 -3.594 1
1 29 . 1 1 1 A 12 12 SER HA H 12 4.260 4.053 0.207 1
1 30 . 1 1 1 A 12 12 SER CB C 12 64.029 62.554 1.475 1
1 33 . 1 1 1 A 12 12 SER C C 12 173.332 174.658 -1.326 1
1 34 . 1 1 1 A 13 13 HIS N N 13 122.195 116.583 5.612 1
1 35 . 1 1 1 A 13 13 HIS H H 13 8.407 7.649 0.758 1
1 36 . 1 1 1 A 13 13 HIS CA C 13 55.603 54.805 0.798 1
1 37 . 1 1 1 A 13 13 HIS HA H 13 4.625 4.909 -0.284 1
1 38 . 1 1 1 A 13 13 HIS CB C 13 31.227 29.563 1.664 1
1 45 . 1 1 1 A 13 13 HIS C C 13 174.550 174.244 0.306 1
1 46 . 1 1 1 A 14 14 GLN N N 14 123.997 125.050 -1.053 1
1 47 . 1 1 1 A 14 14 GLN H H 14 8.662 9.090 -0.428 1
1 48 . 1 1 1 A 14 14 GLN CA C 14 54.912 53.889 1.023 1
1 49 . 1 1 1 A 14 14 GLN HA H 14 4.909 5.372 -0.463 1
1 50 . 1 1 1 A 14 14 GLN CB C 14 31.614 32.549 -0.935 1
1 59 . 1 1 1 A 14 14 GLN C C 14 174.837 174.829 0.008 1
1 60 . 1 1 1 A 15 15 CYS N N 15 126.364 124.878 1.486 1
1 61 . 1 1 1 A 15 15 CYS H H 15 9.186 9.399 -0.213 1
1 62 . 1 1 1 A 15 15 CYS CA C 15 59.390 58.494 0.896 1
1 63 . 1 1 1 A 15 15 CYS HA H 15 4.532 4.942 -0.410 1
1 64 . 1 1 1 A 15 15 CYS CB C 15 29.575 29.600 -0.025 1
1 67 . 1 1 1 A 15 15 CYS C C 15 177.214 175.202 2.012 1
1 68 . 1 1 1 A 16 16 HIS CA C 16 58.476 57.846 0.630 1
1 69 . 1 1 1 A 16 16 HIS HA H 16 4.471 4.570 -0.099 1
1 70 . 1 1 1 A 16 16 HIS CB C 16 29.832 31.103 -1.271 1
1 77 . 1 1 1 A 16 16 HIS C C 16 175.596 177.227 -1.631 1
1 78 . 1 1 1 A 17 17 GLU N N 17 120.837 118.186 2.651 1
1 79 . 1 1 1 A 17 17 GLU H H 17 8.472 8.197 0.275 1
1 80 . 1 1 1 A 17 17 GLU CA C 17 58.401 59.030 -0.629 1
1 81 . 1 1 1 A 17 17 GLU HA H 17 4.121 3.839 0.282 1
1 82 . 1 1 1 A 17 17 GLU CB C 17 29.314 29.372 -0.058 1
1 88 . 1 1 1 A 17 17 GLU C C 17 177.130 177.936 -0.806 1
1 89 . 1 1 1 A 18 18 CYS N N 18 114.120 114.679 -0.559 1
1 90 . 1 1 1 A 18 18 CYS H H 18 7.802 7.819 -0.017 1
1 91 . 1 1 1 A 18 18 CYS CA C 18 58.221 59.300 -1.079 1
1 92 . 1 1 1 A 18 18 CYS HA H 18 5.117 4.689 0.428 1
1 93 . 1 1 1 A 18 18 CYS CB C 18 32.389 30.473 1.916 1
1 96 . 1 1 1 A 18 18 CYS C C 18 176.179 175.698 0.481 1
1 97 . 1 1 1 A 19 19 GLY N N 19 113.325 110.418 2.907 1
1 98 . 1 1 1 A 19 19 GLY H H 19 8.099 8.314 -0.215 1
1 99 . 1 1 1 A 19 19 GLY CA C 19 46.177 45.338 0.839 1
1 100 . 1 1 1 A 19 19 GLY HA2 H 19 3.804 4.036 -0.232 1
1 101 . 1 1 1 A 19 19 GLY HA3 H 19 4.212 4.069 0.143 1
1 102 . 1 1 1 A 19 19 GLY C C 19 173.985 174.548 -0.563 1
1 103 . 1 1 1 A 20 20 ARG N N 20 122.410 119.419 2.991 1
1 104 . 1 1 1 A 20 20 ARG H H 20 7.910 7.799 0.111 1
1 105 . 1 1 1 A 20 20 ARG CA C 20 57.691 55.280 2.411 1
1 106 . 1 1 1 A 20 20 ARG HA H 20 3.970 4.429 -0.459 1
1 107 . 1 1 1 A 20 20 ARG CB C 20 31.437 32.100 -0.663 1
1 116 . 1 1 1 A 20 20 ARG C C 20 174.491 175.466 -0.975 1
1 117 . 1 1 1 A 21 21 GLY N N 21 108.663 107.521 1.142 1
1 118 . 1 1 1 A 21 21 GLY H H 21 8.053 8.087 -0.034 1
1 119 . 1 1 1 A 21 21 GLY CA C 21 43.942 44.025 -0.083 1
1 120 . 1 1 1 A 21 21 GLY HA2 H 21 3.349 4.222 -0.873 1
1 121 . 1 1 1 A 21 21 GLY HA3 H 21 4.767 4.316 0.451 1
1 122 . 1 1 1 A 21 21 GLY C C 21 172.522 171.644 0.878 1
1 123 . 1 1 1 A 22 22 PHE N N 22 117.603 122.009 -4.406 1
1 124 . 1 1 1 A 22 22 PHE H H 22 8.383 9.263 -0.880 1
1 125 . 1 1 1 A 22 22 PHE CA C 22 57.190 56.478 0.712 1
1 126 . 1 1 1 A 22 22 PHE HA H 22 4.803 5.078 -0.275 1
1 127 . 1 1 1 A 22 22 PHE CB C 22 43.726 43.094 0.632 1
1 140 . 1 1 1 A 22 22 PHE C C 22 175.623 175.752 -0.129 1
1 141 . 1 1 1 A 23 23 THR CA C 23 64.469 65.974 -1.505 1
1 142 . 1 1 1 A 23 23 THR HA H 23 4.405 4.378 0.027 1
1 143 . 1 1 1 A 23 23 THR CB C 23 69.258 69.384 -0.126 1
1 149 . 1 1 1 A 23 23 THR C C 23 174.733 175.273 -0.540 1
1 150 . 1 1 1 A 24 24 LEU N N 24 118.621 119.776 -1.155 1
1 151 . 1 1 1 A 24 24 LEU H H 24 7.397 8.189 -0.792 1
1 152 . 1 1 1 A 24 24 LEU CA C 24 52.956 53.880 -0.924 1
1 153 . 1 1 1 A 24 24 LEU HA H 24 4.672 4.603 0.069 1
1 154 . 1 1 1 A 24 24 LEU CB C 24 44.907 41.666 3.241 1
1 167 . 1 1 1 A 24 24 LEU C C 24 177.120 177.072 0.048 1
1 168 . 1 1 1 A 25 25 LYS N N 25 125.592 127.465 -1.873 1
1 169 . 1 1 1 A 25 25 LYS H H 25 8.555 8.443 0.112 1
1 170 . 1 1 1 A 25 25 LYS CA C 25 59.139 59.678 -0.539 1
1 171 . 1 1 1 A 25 25 LYS HA H 25 3.201 3.010 0.191 1
1 172 . 1 1 1 A 25 25 LYS CB C 25 31.829 31.980 -0.151 1
1 184 . 1 1 1 A 25 25 LYS C C 25 178.110 178.030 0.080 1
1 185 . 1 1 1 A 26 26 SER CA C 26 60.759 61.686 -0.927 1
1 186 . 1 1 1 A 26 26 SER HA H 26 4.034 4.052 -0.018 1
1 187 . 1 1 1 A 26 26 SER CB C 26 61.446 63.125 -1.679 1
1 190 . 1 1 1 A 26 26 SER C C 26 177.426 177.112 0.314 1
1 191 . 1 1 1 A 27 27 HIS N N 27 121.342 119.448 1.894 1
1 192 . 1 1 1 A 27 27 HIS H H 27 6.706 7.982 -1.276 1
1 193 . 1 1 1 A 27 27 HIS CA C 27 57.237 59.079 -1.842 1
1 194 . 1 1 1 A 27 27 HIS HA H 27 4.420 4.100 0.320 1
1 195 . 1 1 1 A 27 27 HIS CB C 27 31.574 29.823 1.751 1
1 202 . 1 1 1 A 27 27 HIS C C 27 178.457 176.990 1.467 1
1 203 . 1 1 1 A 28 28 LEU N N 28 122.540 120.078 2.462 1
1 204 . 1 1 1 A 28 28 LEU H H 28 7.190 7.467 -0.277 1
1 205 . 1 1 1 A 28 28 LEU CA C 28 57.976 57.880 0.096 1
1 206 . 1 1 1 A 28 28 LEU HA H 28 3.191 2.658 0.533 1
1 207 . 1 1 1 A 28 28 LEU CB C 28 40.034 41.669 -1.635 1
1 220 . 1 1 1 A 28 28 LEU C C 28 177.619 178.051 -0.432 1
1 221 . 1 1 1 A 29 29 ASN N N 29 117.886 116.648 1.238 1
1 222 . 1 1 1 A 29 29 ASN H H 29 8.500 8.005 0.495 1
1 223 . 1 1 1 A 29 29 ASN CA C 29 56.124 56.601 -0.477 1
1 224 . 1 1 1 A 29 29 ASN HA H 29 4.427 4.330 0.097 1
1 225 . 1 1 1 A 29 29 ASN CB C 29 37.934 38.564 -0.630 1
1 231 . 1 1 1 A 29 29 ASN C C 29 178.015 177.885 0.130 1
1 232 . 1 1 1 A 30 30 GLN N N 30 118.146 118.680 -0.534 1
1 233 . 1 1 1 A 30 30 GLN H H 30 7.682 7.880 -0.198 1
1 234 . 1 1 1 A 30 30 GLN CA C 30 58.640 58.774 -0.134 1
1 235 . 1 1 1 A 30 30 GLN HA H 30 3.961 4.022 -0.061 1
1 236 . 1 1 1 A 30 30 GLN CB C 30 28.485 28.257 0.228 1
1 245 . 1 1 1 A 30 30 GLN C C 30 178.333 178.272 0.061 1
1 246 . 1 1 1 A 31 31 HIS N N 31 119.699 119.740 -0.041 1
1 247 . 1 1 1 A 31 31 HIS H H 31 7.693 8.300 -0.607 1
1 248 . 1 1 1 A 31 31 HIS CA C 31 58.923 59.494 -0.571 1
1 249 . 1 1 1 A 31 31 HIS HA H 31 4.181 4.148 0.033 1
1 250 . 1 1 1 A 31 31 HIS CB C 31 28.433 29.734 -1.301 1
1 257 . 1 1 1 A 31 31 HIS C C 31 176.132 176.819 -0.687 1
1 258 . 1 1 1 A 32 32 GLN N N 32 115.052 117.234 -2.182 1
1 259 . 1 1 1 A 32 32 GLN H H 32 8.305 8.667 -0.362 1
1 260 . 1 1 1 A 32 32 GLN CA C 32 59.218 59.011 0.207 1
1 261 . 1 1 1 A 32 32 GLN HA H 32 3.660 3.762 -0.102 1
1 262 . 1 1 1 A 32 32 GLN CB C 32 28.322 28.292 0.030 1
1 271 . 1 1 1 A 32 32 GLN C C 32 177.230 178.559 -1.329 1
1 272 . 1 1 1 A 33 33 ARG N N 33 117.232 119.608 -2.376 1
1 273 . 1 1 1 A 33 33 ARG H H 33 7.068 8.008 -0.940 1
1 274 . 1 1 1 A 33 33 ARG CA C 33 58.313 58.779 -0.466 1
1 275 . 1 1 1 A 33 33 ARG HA H 33 4.101 4.122 -0.021 1
1 276 . 1 1 1 A 33 33 ARG CB C 33 29.942 29.806 0.136 1
1 285 . 1 1 1 A 33 33 ARG C C 33 178.473 178.648 -0.175 1
1 286 . 1 1 1 A 34 34 ILE N N 34 116.070 117.910 -1.840 1
1 287 . 1 1 1 A 34 34 ILE H H 34 7.787 7.884 -0.097 1
1 288 . 1 1 1 A 34 34 ILE CA C 34 62.914 64.149 -1.235 1
1 289 . 1 1 1 A 34 34 ILE HA H 34 3.973 3.691 0.282 1
1 290 . 1 1 1 A 34 34 ILE CB C 34 37.629 37.207 0.422 1
1 303 . 1 1 1 A 34 34 ILE C C 34 177.355 177.586 -0.231 1
1 304 . 1 1 1 A 35 35 HIS N N 35 117.906 119.947 -2.041 1
1 305 . 1 1 1 A 35 35 HIS H H 35 7.208 7.677 -0.469 1
1 306 . 1 1 1 A 35 35 HIS CA C 35 55.220 58.508 -3.288 1
1 307 . 1 1 1 A 35 35 HIS HA H 35 4.832 4.369 0.463 1
1 308 . 1 1 1 A 35 35 HIS CB C 35 28.533 31.139 -2.606 1
1 315 . 1 1 1 A 35 35 HIS C C 35 175.765 175.417 0.348 1
1 316 . 1 1 1 A 36 36 THR N N 36 111.781 111.650 0.131 1
1 317 . 1 1 1 A 36 36 THR H H 36 7.764 7.712 0.052 1
1 318 . 1 1 1 A 36 36 THR CA C 36 62.457 59.770 2.687 1
1 319 . 1 1 1 A 36 36 THR HA H 36 4.330 4.673 -0.343 1
1 320 . 1 1 1 A 36 36 THR CB C 36 69.813 71.246 -1.433 1
1 326 . 1 1 1 A 36 36 THR C C 36 175.440 173.226 2.214 1
1 327 . 1 1 1 A 37 37 GLY N N 37 110.636 115.138 -4.502 1
1 328 . 1 1 1 A 37 37 GLY H H 37 8.211 8.706 -0.495 1
1 329 . 1 1 1 A 37 37 GLY CA C 37 45.325 44.437 0.888 1
1 330 . 1 1 1 A 37 37 GLY HA2 H 37 3.923 4.052 -0.129 1
1 331 . 1 1 1 A 37 37 GLY HA3 H 37 4.004 4.058 -0.054 1
1 332 . 1 1 1 A 37 37 GLY C C 37 174.040 173.635 0.405 1
1 333 . 1 1 1 A 38 38 GLU N N 38 120.567 121.398 -0.831 1
1 334 . 1 1 1 A 38 38 GLU H H 38 8.073 8.470 -0.397 1
1 335 . 1 1 1 A 38 38 GLU CA C 38 56.418 55.394 1.024 1
1 336 . 1 1 1 A 38 38 GLU HA H 38 4.217 4.760 -0.543 1
1 337 . 1 1 1 A 38 38 GLU CB C 38 30.522 29.912 0.610 1
1 343 . 1 1 1 A 38 38 GLU C C 38 176.215 175.288 0.927 1
1 344 . 1 1 1 A 39 39 LYS N N 39 123.787 115.753 8.034 1
1 345 . 1 1 1 A 39 39 LYS H H 39 8.387 8.007 0.380 1
1 346 . 1 1 1 A 39 39 LYS CA C 39 54.102 56.904 -2.802 1
1 347 . 1 1 1 A 39 39 LYS HA H 39 4.575 3.878 0.697 1
1 348 . 1 1 1 A 39 39 LYS CB C 39 32.422 30.834 1.588 1
1 359 . 1 1 1 A 39 39 LYS C C 39 174.478 174.424 0.054 1
1 360 . 1 1 1 A 40 40 PRO CA C 40 63.208 62.562 0.646 1
1 361 . 1 1 1 A 40 40 PRO HA H 40 4.440 4.527 -0.087 1
1 362 . 1 1 1 A 40 40 PRO CB C 40 32.147 32.097 0.050 1
1 371 . 1 1 1 A 43 43 PRO CA C 43 63.124 62.738 0.386 1
1 372 . 1 1 1 A 43 43 PRO HA H 43 4.417 4.710 -0.293 1
1 373 . 1 1 1 A 43 43 PRO CB C 43 32.161 31.506 0.655 1
1 382 . 1 1 1 A 45 45 SER CA C 45 58.357 58.747 -0.390 1
1 383 . 1 1 1 A 45 45 SER HA H 45 4.478 4.435 0.043 1
1 384 . 1 1 1 A 45 45 SER CB C 45 63.886 64.416 -0.530 1
1 387 . 1 1 1 A 45 45 SER C C 45 173.890 176.021 -2.131 1
1 1 . 2 1 1 A 10 10 THR CA C 10 62.043 60.501 1.542 1
1 2 . 2 1 1 A 10 10 THR HA H 10 4.275 5.126 -0.851 1
1 3 . 2 1 1 A 10 10 THR CB C 10 69.619 71.055 -1.436 1
1 9 . 2 1 1 A 10 10 THR C C 10 174.384 172.417 1.967 1
1 10 . 2 1 1 A 11 11 LYS N N 11 124.060 127.880 -3.820 1
1 11 . 2 1 1 A 11 11 LYS H H 11 8.302 8.459 -0.157 1
1 12 . 2 1 1 A 11 11 LYS CA C 11 55.798 54.018 1.780 1
1 13 . 2 1 1 A 11 11 LYS HA H 11 4.240 4.979 -0.739 1
1 14 . 2 1 1 A 11 11 LYS CB C 11 32.582 35.928 -3.346 1
1 25 . 2 1 1 A 11 11 LYS C C 11 175.995 177.005 -1.010 1
1 26 . 2 1 1 A 12 12 SER N N 12 116.110 119.259 -3.149 1
1 27 . 2 1 1 A 12 12 SER H H 12 7.977 8.686 -0.709 1
1 28 . 2 1 1 A 12 12 SER CA C 12 58.636 62.267 -3.631 1
1 29 . 2 1 1 A 12 12 SER HA H 12 4.260 4.012 0.248 1
1 30 . 2 1 1 A 12 12 SER CB C 12 64.029 63.010 1.019 1
1 33 . 2 1 1 A 12 12 SER C C 12 173.332 174.778 -1.446 1
1 34 . 2 1 1 A 13 13 HIS N N 13 122.195 115.957 6.238 1
1 35 . 2 1 1 A 13 13 HIS H H 13 8.407 7.435 0.972 1
1 36 . 2 1 1 A 13 13 HIS CA C 13 55.603 54.734 0.869 1
1 37 . 2 1 1 A 13 13 HIS HA H 13 4.625 5.370 -0.745 1
1 38 . 2 1 1 A 13 13 HIS CB C 13 31.227 32.825 -1.598 1
1 45 . 2 1 1 A 13 13 HIS C C 13 174.550 173.667 0.883 1
1 46 . 2 1 1 A 14 14 GLN N N 14 123.997 123.654 0.343 1
1 47 . 2 1 1 A 14 14 GLN H H 14 8.662 9.190 -0.528 1
1 48 . 2 1 1 A 14 14 GLN CA C 14 54.912 53.952 0.960 1
1 49 . 2 1 1 A 14 14 GLN HA H 14 4.909 5.300 -0.391 1
1 50 . 2 1 1 A 14 14 GLN CB C 14 31.614 32.528 -0.914 1
1 59 . 2 1 1 A 14 14 GLN C C 14 174.837 175.085 -0.248 1
1 60 . 2 1 1 A 15 15 CYS N N 15 126.364 125.000 1.364 1
1 61 . 2 1 1 A 15 15 CYS H H 15 9.186 9.131 0.055 1
1 62 . 2 1 1 A 15 15 CYS CA C 15 59.390 59.556 -0.166 1
1 63 . 2 1 1 A 15 15 CYS HA H 15 4.532 4.793 -0.261 1
1 64 . 2 1 1 A 15 15 CYS CB C 15 29.575 29.264 0.311 1
1 67 . 2 1 1 A 15 15 CYS C C 15 177.214 174.558 2.656 1
1 68 . 2 1 1 A 16 16 HIS CA C 16 58.476 57.257 1.219 1
1 69 . 2 1 1 A 16 16 HIS HA H 16 4.471 4.678 -0.207 1
1 70 . 2 1 1 A 16 16 HIS CB C 16 29.832 31.953 -2.121 1
1 77 . 2 1 1 A 16 16 HIS C C 16 175.596 177.166 -1.570 1
1 78 . 2 1 1 A 17 17 GLU N N 17 120.837 118.288 2.549 1
1 79 . 2 1 1 A 17 17 GLU H H 17 8.472 7.871 0.601 1
1 80 . 2 1 1 A 17 17 GLU CA C 17 58.401 58.631 -0.230 1
1 81 . 2 1 1 A 17 17 GLU HA H 17 4.121 3.895 0.226 1
1 82 . 2 1 1 A 17 17 GLU CB C 17 29.314 29.410 -0.096 1
1 88 . 2 1 1 A 17 17 GLU C C 17 177.130 177.818 -0.688 1
1 89 . 2 1 1 A 18 18 CYS N N 18 114.120 114.860 -0.740 1
1 90 . 2 1 1 A 18 18 CYS H H 18 7.802 7.839 -0.037 1
1 91 . 2 1 1 A 18 18 CYS CA C 18 58.221 59.203 -0.982 1
1 92 . 2 1 1 A 18 18 CYS HA H 18 5.117 4.632 0.485 1
1 93 . 2 1 1 A 18 18 CYS CB C 18 32.389 30.323 2.066 1
1 96 . 2 1 1 A 18 18 CYS C C 18 176.179 175.817 0.362 1
1 97 . 2 1 1 A 19 19 GLY N N 19 113.325 110.527 2.798 1
1 98 . 2 1 1 A 19 19 GLY H H 19 8.099 8.221 -0.122 1
1 99 . 2 1 1 A 19 19 GLY CA C 19 46.177 45.462 0.715 1
1 100 . 2 1 1 A 19 19 GLY HA2 H 19 3.804 3.969 -0.165 1
1 101 . 2 1 1 A 19 19 GLY HA3 H 19 4.212 4.003 0.209 1
1 102 . 2 1 1 A 19 19 GLY C C 19 173.985 174.700 -0.715 1
1 103 . 2 1 1 A 20 20 ARG N N 20 122.410 119.804 2.606 1
1 104 . 2 1 1 A 20 20 ARG H H 20 7.910 7.353 0.557 1
1 105 . 2 1 1 A 20 20 ARG CA C 20 57.691 55.671 2.020 1
1 106 . 2 1 1 A 20 20 ARG HA H 20 3.970 4.353 -0.383 1
1 107 . 2 1 1 A 20 20 ARG CB C 20 31.437 32.162 -0.725 1
1 116 . 2 1 1 A 20 20 ARG C C 20 174.491 175.295 -0.804 1
1 117 . 2 1 1 A 21 21 GLY N N 21 108.663 107.480 1.183 1
1 118 . 2 1 1 A 21 21 GLY H H 21 8.053 8.060 -0.007 1
1 119 . 2 1 1 A 21 21 GLY CA C 21 43.942 44.074 -0.132 1
1 120 . 2 1 1 A 21 21 GLY HA2 H 21 3.349 4.155 -0.806 1
1 121 . 2 1 1 A 21 21 GLY HA3 H 21 4.767 4.248 0.519 1
1 122 . 2 1 1 A 21 21 GLY C C 21 172.522 171.480 1.042 1
1 123 . 2 1 1 A 22 22 PHE N N 22 117.603 123.274 -5.671 1
1 124 . 2 1 1 A 22 22 PHE H H 22 8.383 8.968 -0.585 1
1 125 . 2 1 1 A 22 22 PHE CA C 22 57.190 56.415 0.775 1
1 126 . 2 1 1 A 22 22 PHE HA H 22 4.803 4.938 -0.135 1
1 127 . 2 1 1 A 22 22 PHE CB C 22 43.726 41.763 1.963 1
1 140 . 2 1 1 A 22 22 PHE C C 22 175.623 176.205 -0.582 1
1 141 . 2 1 1 A 23 23 THR CA C 23 64.469 65.838 -1.369 1
1 142 . 2 1 1 A 23 23 THR HA H 23 4.405 4.160 0.245 1
1 143 . 2 1 1 A 23 23 THR CB C 23 69.258 68.880 0.378 1
1 149 . 2 1 1 A 23 23 THR C C 23 174.733 175.450 -0.717 1
1 150 . 2 1 1 A 24 24 LEU N N 24 118.621 122.799 -4.178 1
1 151 . 2 1 1 A 24 24 LEU H H 24 7.397 8.244 -0.847 1
1 152 . 2 1 1 A 24 24 LEU CA C 24 52.956 54.124 -1.168 1
1 153 . 2 1 1 A 24 24 LEU HA H 24 4.672 4.511 0.161 1
1 154 . 2 1 1 A 24 24 LEU CB C 24 44.907 41.983 2.924 1
1 167 . 2 1 1 A 24 24 LEU C C 24 177.120 177.116 0.004 1
1 168 . 2 1 1 A 25 25 LYS N N 25 125.592 126.814 -1.222 1
1 169 . 2 1 1 A 25 25 LYS H H 25 8.555 8.872 -0.317 1
1 170 . 2 1 1 A 25 25 LYS CA C 25 59.139 59.748 -0.609 1
1 171 . 2 1 1 A 25 25 LYS HA H 25 3.201 2.915 0.286 1
1 172 . 2 1 1 A 25 25 LYS CB C 25 31.829 31.605 0.224 1
1 184 . 2 1 1 A 25 25 LYS C C 25 178.110 177.911 0.199 1
1 185 . 2 1 1 A 26 26 SER CA C 26 60.759 61.315 -0.556 1
1 186 . 2 1 1 A 26 26 SER HA H 26 4.034 4.099 -0.065 1
1 187 . 2 1 1 A 26 26 SER CB C 26 61.446 62.084 -0.638 1
1 190 . 2 1 1 A 26 26 SER C C 26 177.426 177.007 0.419 1
1 191 . 2 1 1 A 27 27 HIS N N 27 121.342 118.698 2.644 1
1 192 . 2 1 1 A 27 27 HIS H H 27 6.706 7.975 -1.269 1
1 193 . 2 1 1 A 27 27 HIS CA C 27 57.237 59.222 -1.985 1
1 194 . 2 1 1 A 27 27 HIS HA H 27 4.420 4.133 0.287 1
1 195 . 2 1 1 A 27 27 HIS CB C 27 31.574 29.958 1.616 1
1 202 . 2 1 1 A 27 27 HIS C C 27 178.457 177.226 1.231 1
1 203 . 2 1 1 A 28 28 LEU N N 28 122.540 120.038 2.502 1
1 204 . 2 1 1 A 28 28 LEU H H 28 7.190 7.548 -0.358 1
1 205 . 2 1 1 A 28 28 LEU CA C 28 57.976 57.494 0.482 1
1 206 . 2 1 1 A 28 28 LEU HA H 28 3.191 2.581 0.610 1
1 207 . 2 1 1 A 28 28 LEU CB C 28 40.034 41.039 -1.005 1
1 220 . 2 1 1 A 28 28 LEU C C 28 177.619 178.245 -0.626 1
1 221 . 2 1 1 A 29 29 ASN N N 29 117.886 117.121 0.765 1
1 222 . 2 1 1 A 29 29 ASN H H 29 8.500 8.070 0.430 1
1 223 . 2 1 1 A 29 29 ASN CA C 29 56.124 56.842 -0.718 1
1 224 . 2 1 1 A 29 29 ASN HA H 29 4.427 4.303 0.124 1
1 225 . 2 1 1 A 29 29 ASN CB C 29 37.934 39.820 -1.886 1
1 231 . 2 1 1 A 29 29 ASN C C 29 178.015 178.023 -0.008 1
1 232 . 2 1 1 A 30 30 GLN N N 30 118.146 117.443 0.703 1
1 233 . 2 1 1 A 30 30 GLN H H 30 7.682 8.123 -0.441 1
1 234 . 2 1 1 A 30 30 GLN CA C 30 58.640 57.445 1.195 1
1 235 . 2 1 1 A 30 30 GLN HA H 30 3.961 4.156 -0.195 1
1 236 . 2 1 1 A 30 30 GLN CB C 30 28.485 28.286 0.199 1
1 245 . 2 1 1 A 30 30 GLN C C 30 178.333 177.381 0.952 1
1 246 . 2 1 1 A 31 31 HIS N N 31 119.699 120.969 -1.270 1
1 247 . 2 1 1 A 31 31 HIS H H 31 7.693 8.034 -0.341 1
1 248 . 2 1 1 A 31 31 HIS CA C 31 58.923 58.729 0.194 1
1 249 . 2 1 1 A 31 31 HIS HA H 31 4.181 4.128 0.053 1
1 250 . 2 1 1 A 31 31 HIS CB C 31 28.433 29.767 -1.334 1
1 257 . 2 1 1 A 31 31 HIS C C 31 176.132 177.288 -1.156 1
1 258 . 2 1 1 A 32 32 GLN N N 32 115.052 119.002 -3.950 1
1 259 . 2 1 1 A 32 32 GLN H H 32 8.305 8.328 -0.023 1
1 260 . 2 1 1 A 32 32 GLN CA C 32 59.218 58.079 1.139 1
1 261 . 2 1 1 A 32 32 GLN HA H 32 3.660 4.067 -0.407 1
1 262 . 2 1 1 A 32 32 GLN CB C 32 28.322 28.537 -0.215 1
1 271 . 2 1 1 A 32 32 GLN C C 32 177.230 177.594 -0.364 1
1 272 . 2 1 1 A 33 33 ARG N N 33 117.232 118.631 -1.399 1
1 273 . 2 1 1 A 33 33 ARG H H 33 7.068 7.945 -0.877 1
1 274 . 2 1 1 A 33 33 ARG CA C 33 58.313 58.218 0.095 1
1 275 . 2 1 1 A 33 33 ARG HA H 33 4.101 4.025 0.076 1
1 276 . 2 1 1 A 33 33 ARG CB C 33 29.942 30.219 -0.277 1
1 285 . 2 1 1 A 33 33 ARG C C 33 178.473 178.027 0.446 1
1 286 . 2 1 1 A 34 34 ILE N N 34 116.070 115.236 0.834 1
1 287 . 2 1 1 A 34 34 ILE H H 34 7.787 7.193 0.594 1
1 288 . 2 1 1 A 34 34 ILE CA C 34 62.914 64.013 -1.099 1
1 289 . 2 1 1 A 34 34 ILE HA H 34 3.973 3.747 0.226 1
1 290 . 2 1 1 A 34 34 ILE CB C 34 37.629 37.103 0.526 1
1 303 . 2 1 1 A 34 34 ILE C C 34 177.355 177.561 -0.206 1
1 304 . 2 1 1 A 35 35 HIS N N 35 117.906 119.173 -1.267 1
1 305 . 2 1 1 A 35 35 HIS H H 35 7.208 7.117 0.091 1
1 306 . 2 1 1 A 35 35 HIS CA C 35 55.220 57.506 -2.286 1
1 307 . 2 1 1 A 35 35 HIS HA H 35 4.832 4.471 0.361 1
1 308 . 2 1 1 A 35 35 HIS CB C 35 28.533 31.076 -2.543 1
1 315 . 2 1 1 A 35 35 HIS C C 35 175.765 175.207 0.558 1
1 316 . 2 1 1 A 36 36 THR N N 36 111.781 115.218 -3.437 1
1 317 . 2 1 1 A 36 36 THR H H 36 7.764 7.623 0.141 1
1 318 . 2 1 1 A 36 36 THR CA C 36 62.457 63.370 -0.913 1
1 319 . 2 1 1 A 36 36 THR HA H 36 4.330 4.142 0.188 1
1 320 . 2 1 1 A 36 36 THR CB C 36 69.813 69.129 0.684 1
1 326 . 2 1 1 A 36 36 THR C C 36 175.440 173.959 1.481 1
1 327 . 2 1 1 A 37 37 GLY N N 37 110.636 113.236 -2.600 1
1 328 . 2 1 1 A 37 37 GLY H H 37 8.211 8.345 -0.134 1
1 329 . 2 1 1 A 37 37 GLY CA C 37 45.325 45.651 -0.326 1
1 330 . 2 1 1 A 37 37 GLY HA2 H 37 3.923 4.197 -0.274 1
1 331 . 2 1 1 A 37 37 GLY HA3 H 37 4.004 4.198 -0.194 1
1 332 . 2 1 1 A 37 37 GLY C C 37 174.040 171.846 2.194 1
1 333 . 2 1 1 A 38 38 GLU N N 38 120.567 120.450 0.117 1
1 334 . 2 1 1 A 38 38 GLU H H 38 8.073 8.555 -0.482 1
1 335 . 2 1 1 A 38 38 GLU CA C 38 56.418 56.925 -0.507 1
1 336 . 2 1 1 A 38 38 GLU HA H 38 4.217 4.520 -0.303 1
1 337 . 2 1 1 A 38 38 GLU CB C 38 30.522 30.239 0.283 1
1 343 . 2 1 1 A 38 38 GLU C C 38 176.215 175.818 0.397 1
1 344 . 2 1 1 A 39 39 LYS N N 39 123.787 124.326 -0.539 1
1 345 . 2 1 1 A 39 39 LYS H H 39 8.387 8.490 -0.103 1
1 346 . 2 1 1 A 39 39 LYS CA C 39 54.102 53.297 0.805 1
1 347 . 2 1 1 A 39 39 LYS HA H 39 4.575 4.735 -0.160 1
1 348 . 2 1 1 A 39 39 LYS CB C 39 32.422 36.491 -4.069 1
1 359 . 2 1 1 A 39 39 LYS C C 39 174.478 174.002 0.476 1
1 360 . 2 1 1 A 40 40 PRO CA C 40 63.208 63.197 0.011 1
1 361 . 2 1 1 A 40 40 PRO HA H 40 4.440 4.369 0.071 1
1 362 . 2 1 1 A 40 40 PRO CB C 40 32.147 32.245 -0.098 1
1 371 . 2 1 1 A 43 43 PRO CA C 43 63.124 62.915 0.209 1
1 372 . 2 1 1 A 43 43 PRO HA H 43 4.417 4.680 -0.263 1
1 373 . 2 1 1 A 43 43 PRO CB C 43 32.161 33.248 -1.087 1
1 382 . 2 1 1 A 45 45 SER CA C 45 58.357 61.611 -3.254 1
1 383 . 2 1 1 A 45 45 SER HA H 45 4.478 4.047 0.431 1
1 384 . 2 1 1 A 45 45 SER CB C 45 63.886 62.671 1.215 1
1 387 . 2 1 1 A 45 45 SER C C 45 173.890 174.810 -0.920 1
1 1 . 3 1 1 A 10 10 THR CA C 10 62.043 60.843 1.200 1
1 2 . 3 1 1 A 10 10 THR HA H 10 4.275 4.492 -0.217 1
1 3 . 3 1 1 A 10 10 THR CB C 10 69.619 68.475 1.144 1
1 9 . 3 1 1 A 10 10 THR C C 10 174.384 173.794 0.590 1
1 10 . 3 1 1 A 11 11 LYS N N 11 124.060 124.236 -0.176 1
1 11 . 3 1 1 A 11 11 LYS H H 11 8.302 8.442 -0.140 1
1 12 . 3 1 1 A 11 11 LYS CA C 11 55.798 55.752 0.046 1
1 13 . 3 1 1 A 11 11 LYS HA H 11 4.240 4.559 -0.319 1
1 14 . 3 1 1 A 11 11 LYS CB C 11 32.582 33.177 -0.595 1
1 25 . 3 1 1 A 11 11 LYS C C 11 175.995 175.814 0.181 1
1 26 . 3 1 1 A 12 12 SER N N 12 116.110 114.568 1.542 1
1 27 . 3 1 1 A 12 12 SER H H 12 7.977 8.561 -0.584 1
1 28 . 3 1 1 A 12 12 SER CA C 12 58.636 59.707 -1.071 1
1 29 . 3 1 1 A 12 12 SER HA H 12 4.260 4.462 -0.202 1
1 30 . 3 1 1 A 12 12 SER CB C 12 64.029 64.790 -0.761 1
1 33 . 3 1 1 A 12 12 SER C C 12 173.332 172.701 0.631 1
1 34 . 3 1 1 A 13 13 HIS N N 13 122.195 116.535 5.660 1
1 35 . 3 1 1 A 13 13 HIS H H 13 8.407 8.215 0.192 1
1 36 . 3 1 1 A 13 13 HIS CA C 13 55.603 54.770 0.833 1
1 37 . 3 1 1 A 13 13 HIS HA H 13 4.625 5.246 -0.621 1
1 38 . 3 1 1 A 13 13 HIS CB C 13 31.227 32.581 -1.354 1
1 45 . 3 1 1 A 13 13 HIS C C 13 174.550 173.923 0.627 1
1 46 . 3 1 1 A 14 14 GLN N N 14 123.997 120.662 3.335 1
1 47 . 3 1 1 A 14 14 GLN H H 14 8.662 8.937 -0.275 1
1 48 . 3 1 1 A 14 14 GLN CA C 14 54.912 54.171 0.741 1
1 49 . 3 1 1 A 14 14 GLN HA H 14 4.909 5.408 -0.499 1
1 50 . 3 1 1 A 14 14 GLN CB C 14 31.614 32.360 -0.746 1
1 59 . 3 1 1 A 14 14 GLN C C 14 174.837 174.957 -0.120 1
1 60 . 3 1 1 A 15 15 CYS N N 15 126.364 125.003 1.361 1
1 61 . 3 1 1 A 15 15 CYS H H 15 9.186 9.495 -0.309 1
1 62 . 3 1 1 A 15 15 CYS CA C 15 59.390 59.553 -0.163 1
1 63 . 3 1 1 A 15 15 CYS HA H 15 4.532 4.723 -0.191 1
1 64 . 3 1 1 A 15 15 CYS CB C 15 29.575 28.678 0.897 1
1 67 . 3 1 1 A 15 15 CYS C C 15 177.214 175.284 1.930 1
1 68 . 3 1 1 A 16 16 HIS CA C 16 58.476 57.822 0.654 1
1 69 . 3 1 1 A 16 16 HIS HA H 16 4.471 4.613 -0.142 1
1 70 . 3 1 1 A 16 16 HIS CB C 16 29.832 31.372 -1.540 1
1 77 . 3 1 1 A 16 16 HIS C C 16 175.596 177.194 -1.598 1
1 78 . 3 1 1 A 17 17 GLU N N 17 120.837 118.303 2.534 1
1 79 . 3 1 1 A 17 17 GLU H H 17 8.472 7.944 0.528 1
1 80 . 3 1 1 A 17 17 GLU CA C 17 58.401 58.624 -0.223 1
1 81 . 3 1 1 A 17 17 GLU HA H 17 4.121 3.878 0.243 1
1 82 . 3 1 1 A 17 17 GLU CB C 17 29.314 29.274 0.040 1
1 88 . 3 1 1 A 17 17 GLU C C 17 177.130 177.792 -0.662 1
1 89 . 3 1 1 A 18 18 CYS N N 18 114.120 114.998 -0.878 1
1 90 . 3 1 1 A 18 18 CYS H H 18 7.802 7.882 -0.080 1
1 91 . 3 1 1 A 18 18 CYS CA C 18 58.221 59.300 -1.079 1
1 92 . 3 1 1 A 18 18 CYS HA H 18 5.117 4.622 0.495 1
1 93 . 3 1 1 A 18 18 CYS CB C 18 32.389 30.240 2.149 1
1 96 . 3 1 1 A 18 18 CYS C C 18 176.179 175.557 0.622 1
1 97 . 3 1 1 A 19 19 GLY N N 19 113.325 110.372 2.953 1
1 98 . 3 1 1 A 19 19 GLY H H 19 8.099 8.286 -0.187 1
1 99 . 3 1 1 A 19 19 GLY CA C 19 46.177 45.312 0.865 1
1 100 . 3 1 1 A 19 19 GLY HA2 H 19 3.804 4.020 -0.216 1
1 101 . 3 1 1 A 19 19 GLY HA3 H 19 4.212 4.048 0.164 1
1 102 . 3 1 1 A 19 19 GLY C C 19 173.985 174.655 -0.670 1
1 103 . 3 1 1 A 20 20 ARG N N 20 122.410 120.421 1.989 1
1 104 . 3 1 1 A 20 20 ARG H H 20 7.910 7.460 0.450 1
1 105 . 3 1 1 A 20 20 ARG CA C 20 57.691 55.984 1.707 1
1 106 . 3 1 1 A 20 20 ARG HA H 20 3.970 4.333 -0.363 1
1 107 . 3 1 1 A 20 20 ARG CB C 20 31.437 32.300 -0.863 1
1 116 . 3 1 1 A 20 20 ARG C C 20 174.491 175.316 -0.825 1
1 117 . 3 1 1 A 21 21 GLY N N 21 108.663 107.677 0.986 1
1 118 . 3 1 1 A 21 21 GLY H H 21 8.053 8.171 -0.118 1
1 119 . 3 1 1 A 21 21 GLY CA C 21 43.942 44.638 -0.696 1
1 120 . 3 1 1 A 21 21 GLY HA2 H 21 3.349 4.324 -0.975 1
1 121 . 3 1 1 A 21 21 GLY HA3 H 21 4.767 4.451 0.316 1
1 122 . 3 1 1 A 21 21 GLY C C 21 172.522 171.643 0.879 1
1 123 . 3 1 1 A 22 22 PHE N N 22 117.603 121.096 -3.493 1
1 124 . 3 1 1 A 22 22 PHE H H 22 8.383 9.302 -0.919 1
1 125 . 3 1 1 A 22 22 PHE CA C 22 57.190 56.610 0.580 1
1 126 . 3 1 1 A 22 22 PHE HA H 22 4.803 5.223 -0.420 1
1 127 . 3 1 1 A 22 22 PHE CB C 22 43.726 43.668 0.058 1
1 140 . 3 1 1 A 22 22 PHE C C 22 175.623 175.648 -0.025 1
1 141 . 3 1 1 A 23 23 THR CA C 23 64.469 65.450 -0.981 1
1 142 . 3 1 1 A 23 23 THR HA H 23 4.405 4.415 -0.010 1
1 143 . 3 1 1 A 23 23 THR CB C 23 69.258 69.573 -0.315 1
1 149 . 3 1 1 A 23 23 THR C C 23 174.733 175.260 -0.527 1
1 150 . 3 1 1 A 24 24 LEU N N 24 118.621 120.129 -1.508 1
1 151 . 3 1 1 A 24 24 LEU H H 24 7.397 7.843 -0.446 1
1 152 . 3 1 1 A 24 24 LEU CA C 24 52.956 54.741 -1.785 1
1 153 . 3 1 1 A 24 24 LEU HA H 24 4.672 4.223 0.449 1
1 154 . 3 1 1 A 24 24 LEU CB C 24 44.907 41.746 3.161 1
1 167 . 3 1 1 A 24 24 LEU C C 24 177.120 177.538 -0.418 1
1 168 . 3 1 1 A 25 25 LYS N N 25 125.592 125.384 0.208 1
1 169 . 3 1 1 A 25 25 LYS H H 25 8.555 8.762 -0.207 1
1 170 . 3 1 1 A 25 25 LYS CA C 25 59.139 59.305 -0.166 1
1 171 . 3 1 1 A 25 25 LYS HA H 25 3.201 2.867 0.334 1
1 172 . 3 1 1 A 25 25 LYS CB C 25 31.829 31.789 0.040 1
1 184 . 3 1 1 A 25 25 LYS C C 25 178.110 177.960 0.150 1
1 185 . 3 1 1 A 26 26 SER CA C 26 60.759 62.318 -1.559 1
1 186 . 3 1 1 A 26 26 SER HA H 26 4.034 4.137 -0.103 1
1 187 . 3 1 1 A 26 26 SER CB C 26 61.446 63.116 -1.670 1
1 190 . 3 1 1 A 26 26 SER C C 26 177.426 176.485 0.941 1
1 191 . 3 1 1 A 27 27 HIS N N 27 121.342 119.498 1.844 1
1 192 . 3 1 1 A 27 27 HIS H H 27 6.706 7.894 -1.188 1
1 193 . 3 1 1 A 27 27 HIS CA C 27 57.237 59.144 -1.907 1
1 194 . 3 1 1 A 27 27 HIS HA H 27 4.420 4.109 0.311 1
1 195 . 3 1 1 A 27 27 HIS CB C 27 31.574 29.976 1.598 1
1 202 . 3 1 1 A 27 27 HIS C C 27 178.457 177.029 1.428 1
1 203 . 3 1 1 A 28 28 LEU N N 28 122.540 120.177 2.363 1
1 204 . 3 1 1 A 28 28 LEU H H 28 7.190 7.532 -0.342 1
1 205 . 3 1 1 A 28 28 LEU CA C 28 57.976 57.873 0.103 1
1 206 . 3 1 1 A 28 28 LEU HA H 28 3.191 2.852 0.339 1
1 207 . 3 1 1 A 28 28 LEU CB C 28 40.034 41.341 -1.307 1
1 220 . 3 1 1 A 28 28 LEU C C 28 177.619 178.170 -0.551 1
1 221 . 3 1 1 A 29 29 ASN N N 29 117.886 116.531 1.355 1
1 222 . 3 1 1 A 29 29 ASN H H 29 8.500 7.800 0.700 1
1 223 . 3 1 1 A 29 29 ASN CA C 29 56.124 56.781 -0.657 1
1 224 . 3 1 1 A 29 29 ASN HA H 29 4.427 4.326 0.101 1
1 225 . 3 1 1 A 29 29 ASN CB C 29 37.934 39.556 -1.622 1
1 231 . 3 1 1 A 29 29 ASN C C 29 178.015 177.630 0.385 1
1 232 . 3 1 1 A 30 30 GLN N N 30 118.146 117.669 0.477 1
1 233 . 3 1 1 A 30 30 GLN H H 30 7.682 8.505 -0.823 1
1 234 . 3 1 1 A 30 30 GLN CA C 30 58.640 58.806 -0.166 1
1 235 . 3 1 1 A 30 30 GLN HA H 30 3.961 4.032 -0.071 1
1 236 . 3 1 1 A 30 30 GLN CB C 30 28.485 28.570 -0.085 1
1 245 . 3 1 1 A 30 30 GLN C C 30 178.333 178.368 -0.035 1
1 246 . 3 1 1 A 31 31 HIS N N 31 119.699 120.759 -1.060 1
1 247 . 3 1 1 A 31 31 HIS H H 31 7.693 8.172 -0.479 1
1 248 . 3 1 1 A 31 31 HIS CA C 31 58.923 59.975 -1.052 1
1 249 . 3 1 1 A 31 31 HIS HA H 31 4.181 4.139 0.042 1
1 250 . 3 1 1 A 31 31 HIS CB C 31 28.433 29.495 -1.062 1
1 257 . 3 1 1 A 31 31 HIS C C 31 176.132 177.385 -1.253 1
1 258 . 3 1 1 A 32 32 GLN N N 32 115.052 118.541 -3.489 1
1 259 . 3 1 1 A 32 32 GLN H H 32 8.305 8.461 -0.156 1
1 260 . 3 1 1 A 32 32 GLN CA C 32 59.218 58.236 0.982 1
1 261 . 3 1 1 A 32 32 GLN HA H 32 3.660 4.119 -0.459 1
1 262 . 3 1 1 A 32 32 GLN CB C 32 28.322 28.575 -0.253 1
1 271 . 3 1 1 A 32 32 GLN C C 32 177.230 177.573 -0.343 1
1 272 . 3 1 1 A 33 33 ARG N N 33 117.232 118.703 -1.471 1
1 273 . 3 1 1 A 33 33 ARG H H 33 7.068 7.681 -0.613 1
1 274 . 3 1 1 A 33 33 ARG CA C 33 58.313 58.202 0.111 1
1 275 . 3 1 1 A 33 33 ARG HA H 33 4.101 4.133 -0.032 1
1 276 . 3 1 1 A 33 33 ARG CB C 33 29.942 30.282 -0.340 1
1 285 . 3 1 1 A 33 33 ARG C C 33 178.473 178.252 0.221 1
1 286 . 3 1 1 A 34 34 ILE N N 34 116.070 115.165 0.905 1
1 287 . 3 1 1 A 34 34 ILE H H 34 7.787 7.475 0.312 1
1 288 . 3 1 1 A 34 34 ILE CA C 34 62.914 63.008 -0.094 1
1 289 . 3 1 1 A 34 34 ILE HA H 34 3.973 3.866 0.107 1
1 290 . 3 1 1 A 34 34 ILE CB C 34 37.629 37.127 0.502 1
1 303 . 3 1 1 A 34 34 ILE C C 34 177.355 176.261 1.094 1
1 304 . 3 1 1 A 35 35 HIS N N 35 117.906 118.987 -1.081 1
1 305 . 3 1 1 A 35 35 HIS H H 35 7.208 7.614 -0.406 1
1 306 . 3 1 1 A 35 35 HIS CA C 35 55.220 56.820 -1.600 1
1 307 . 3 1 1 A 35 35 HIS HA H 35 4.832 4.641 0.191 1
1 308 . 3 1 1 A 35 35 HIS CB C 35 28.533 31.591 -3.058 1
1 315 . 3 1 1 A 35 35 HIS C C 35 175.765 175.152 0.613 1
1 316 . 3 1 1 A 36 36 THR N N 36 111.781 112.022 -0.241 1
1 317 . 3 1 1 A 36 36 THR H H 36 7.764 7.279 0.485 1
1 318 . 3 1 1 A 36 36 THR CA C 36 62.457 62.316 0.141 1
1 319 . 3 1 1 A 36 36 THR HA H 36 4.330 4.242 0.088 1
1 320 . 3 1 1 A 36 36 THR CB C 36 69.813 69.136 0.677 1
1 326 . 3 1 1 A 36 36 THR C C 36 175.440 174.986 0.454 1
1 327 . 3 1 1 A 37 37 GLY N N 37 110.636 109.818 0.818 1
1 328 . 3 1 1 A 37 37 GLY H H 37 8.211 8.641 -0.430 1
1 329 . 3 1 1 A 37 37 GLY CA C 37 45.325 45.687 -0.362 1
1 330 . 3 1 1 A 37 37 GLY HA2 H 37 3.923 4.007 -0.084 1
1 331 . 3 1 1 A 37 37 GLY HA3 H 37 4.004 4.008 -0.004 1
1 332 . 3 1 1 A 37 37 GLY C C 37 174.040 171.995 2.045 1
1 333 . 3 1 1 A 38 38 GLU N N 38 120.567 124.064 -3.497 1
1 334 . 3 1 1 A 38 38 GLU H H 38 8.073 8.654 -0.581 1
1 335 . 3 1 1 A 38 38 GLU CA C 38 56.418 54.787 1.631 1
1 336 . 3 1 1 A 38 38 GLU HA H 38 4.217 4.635 -0.418 1
1 337 . 3 1 1 A 38 38 GLU CB C 38 30.522 30.562 -0.040 1
1 343 . 3 1 1 A 38 38 GLU C C 38 176.215 176.173 0.042 1
1 344 . 3 1 1 A 39 39 LYS N N 39 123.787 123.588 0.199 1
1 345 . 3 1 1 A 39 39 LYS H H 39 8.387 8.191 0.196 1
1 346 . 3 1 1 A 39 39 LYS CA C 39 54.102 57.070 -2.968 1
1 347 . 3 1 1 A 39 39 LYS HA H 39 4.575 3.987 0.588 1
1 348 . 3 1 1 A 39 39 LYS CB C 39 32.422 30.092 2.330 1
1 359 . 3 1 1 A 39 39 LYS C C 39 174.478 176.123 -1.645 1
1 360 . 3 1 1 A 40 40 PRO CA C 40 63.208 62.381 0.827 1
1 361 . 3 1 1 A 40 40 PRO HA H 40 4.440 4.579 -0.139 1
1 362 . 3 1 1 A 40 40 PRO CB C 40 32.147 33.114 -0.967 1
1 371 . 3 1 1 A 43 43 PRO CA C 43 63.124 65.078 -1.954 1
1 372 . 3 1 1 A 43 43 PRO HA H 43 4.417 4.275 0.142 1
1 373 . 3 1 1 A 43 43 PRO CB C 43 32.161 31.625 0.536 1
1 382 . 3 1 1 A 45 45 SER CA C 45 58.357 59.794 -1.437 1
1 383 . 3 1 1 A 45 45 SER HA H 45 4.478 4.344 0.134 1
1 384 . 3 1 1 A 45 45 SER CB C 45 63.886 64.100 -0.214 1
1 387 . 3 1 1 A 45 45 SER C C 45 173.890 174.776 -0.886 1
1 1 . 4 1 1 A 10 10 THR CA C 10 62.043 60.281 1.762 1
1 2 . 4 1 1 A 10 10 THR HA H 10 4.275 5.028 -0.753 1
1 3 . 4 1 1 A 10 10 THR CB C 10 69.619 71.232 -1.613 1
1 9 . 4 1 1 A 10 10 THR C C 10 174.384 172.160 2.224 1
1 10 . 4 1 1 A 11 11 LYS N N 11 124.060 129.314 -5.254 1
1 11 . 4 1 1 A 11 11 LYS H H 11 8.302 8.443 -0.141 1
1 12 . 4 1 1 A 11 11 LYS CA C 11 55.798 53.917 1.881 1
1 13 . 4 1 1 A 11 11 LYS HA H 11 4.240 4.889 -0.649 1
1 14 . 4 1 1 A 11 11 LYS CB C 11 32.582 35.473 -2.891 1
1 25 . 4 1 1 A 11 11 LYS C C 11 175.995 177.084 -1.089 1
1 26 . 4 1 1 A 12 12 SER N N 12 116.110 118.481 -2.371 1
1 27 . 4 1 1 A 12 12 SER H H 12 7.977 8.653 -0.676 1
1 28 . 4 1 1 A 12 12 SER CA C 12 58.636 62.467 -3.831 1
1 29 . 4 1 1 A 12 12 SER HA H 12 4.260 3.946 0.314 1
1 30 . 4 1 1 A 12 12 SER CB C 12 64.029 62.754 1.275 1
1 33 . 4 1 1 A 12 12 SER C C 12 173.332 174.717 -1.385 1
1 34 . 4 1 1 A 13 13 HIS N N 13 122.195 116.785 5.410 1
1 35 . 4 1 1 A 13 13 HIS H H 13 8.407 8.157 0.250 1
1 36 . 4 1 1 A 13 13 HIS CA C 13 55.603 54.243 1.360 1
1 37 . 4 1 1 A 13 13 HIS HA H 13 4.625 5.052 -0.427 1
1 38 . 4 1 1 A 13 13 HIS CB C 13 31.227 30.260 0.967 1
1 45 . 4 1 1 A 13 13 HIS C C 13 174.550 173.834 0.716 1
1 46 . 4 1 1 A 14 14 GLN N N 14 123.997 124.817 -0.820 1
1 47 . 4 1 1 A 14 14 GLN H H 14 8.662 8.988 -0.326 1
1 48 . 4 1 1 A 14 14 GLN CA C 14 54.912 53.876 1.036 1
1 49 . 4 1 1 A 14 14 GLN HA H 14 4.909 5.279 -0.370 1
1 50 . 4 1 1 A 14 14 GLN CB C 14 31.614 31.462 0.152 1
1 59 . 4 1 1 A 14 14 GLN C C 14 174.837 175.823 -0.986 1
1 60 . 4 1 1 A 15 15 CYS N N 15 126.364 125.392 0.972 1
1 61 . 4 1 1 A 15 15 CYS H H 15 9.186 9.006 0.180 1
1 62 . 4 1 1 A 15 15 CYS CA C 15 59.390 59.918 -0.528 1
1 63 . 4 1 1 A 15 15 CYS HA H 15 4.532 4.735 -0.203 1
1 64 . 4 1 1 A 15 15 CYS CB C 15 29.575 28.950 0.625 1
1 67 . 4 1 1 A 15 15 CYS C C 15 177.214 174.822 2.392 1
1 68 . 4 1 1 A 16 16 HIS CA C 16 58.476 57.029 1.447 1
1 69 . 4 1 1 A 16 16 HIS HA H 16 4.471 4.656 -0.185 1
1 70 . 4 1 1 A 16 16 HIS CB C 16 29.832 31.752 -1.920 1
1 77 . 4 1 1 A 16 16 HIS C C 16 175.596 176.403 -0.807 1
1 78 . 4 1 1 A 17 17 GLU N N 17 120.837 119.216 1.621 1
1 79 . 4 1 1 A 17 17 GLU H H 17 8.472 7.880 0.592 1
1 80 . 4 1 1 A 17 17 GLU CA C 17 58.401 58.750 -0.349 1
1 81 . 4 1 1 A 17 17 GLU HA H 17 4.121 3.991 0.130 1
1 82 . 4 1 1 A 17 17 GLU CB C 17 29.314 29.521 -0.207 1
1 88 . 4 1 1 A 17 17 GLU C C 17 177.130 177.891 -0.761 1
1 89 . 4 1 1 A 18 18 CYS N N 18 114.120 114.878 -0.758 1
1 90 . 4 1 1 A 18 18 CYS H H 18 7.802 7.897 -0.095 1
1 91 . 4 1 1 A 18 18 CYS CA C 18 58.221 59.243 -1.022 1
1 92 . 4 1 1 A 18 18 CYS HA H 18 5.117 4.672 0.445 1
1 93 . 4 1 1 A 18 18 CYS CB C 18 32.389 30.377 2.012 1
1 96 . 4 1 1 A 18 18 CYS C C 18 176.179 175.918 0.261 1
1 97 . 4 1 1 A 19 19 GLY N N 19 113.325 110.621 2.704 1
1 98 . 4 1 1 A 19 19 GLY H H 19 8.099 8.258 -0.159 1
1 99 . 4 1 1 A 19 19 GLY CA C 19 46.177 45.457 0.720 1
1 100 . 4 1 1 A 19 19 GLY HA2 H 19 3.804 3.912 -0.108 1
1 101 . 4 1 1 A 19 19 GLY HA3 H 19 4.212 3.922 0.290 1
1 102 . 4 1 1 A 19 19 GLY C C 19 173.985 174.645 -0.660 1
1 103 . 4 1 1 A 20 20 ARG N N 20 122.410 120.430 1.980 1
1 104 . 4 1 1 A 20 20 ARG H H 20 7.910 7.346 0.564 1
1 105 . 4 1 1 A 20 20 ARG CA C 20 57.691 55.948 1.743 1
1 106 . 4 1 1 A 20 20 ARG HA H 20 3.970 4.210 -0.240 1
1 107 . 4 1 1 A 20 20 ARG CB C 20 31.437 31.526 -0.089 1
1 116 . 4 1 1 A 20 20 ARG C C 20 174.491 175.264 -0.773 1
1 117 . 4 1 1 A 21 21 GLY N N 21 108.663 108.990 -0.327 1
1 118 . 4 1 1 A 21 21 GLY H H 21 8.053 8.221 -0.168 1
1 119 . 4 1 1 A 21 21 GLY CA C 21 43.942 44.219 -0.277 1
1 120 . 4 1 1 A 21 21 GLY HA2 H 21 3.349 4.080 -0.731 1
1 121 . 4 1 1 A 21 21 GLY HA3 H 21 4.767 4.142 0.625 1
1 122 . 4 1 1 A 21 21 GLY C C 21 172.522 171.724 0.798 1
1 123 . 4 1 1 A 22 22 PHE N N 22 117.603 124.054 -6.451 1
1 124 . 4 1 1 A 22 22 PHE H H 22 8.383 8.707 -0.324 1
1 125 . 4 1 1 A 22 22 PHE CA C 22 57.190 56.710 0.480 1
1 126 . 4 1 1 A 22 22 PHE HA H 22 4.803 5.126 -0.323 1
1 127 . 4 1 1 A 22 22 PHE CB C 22 43.726 41.623 2.103 1
1 140 . 4 1 1 A 22 22 PHE C C 22 175.623 176.000 -0.377 1
1 141 . 4 1 1 A 23 23 THR CA C 23 64.469 66.730 -2.261 1
1 142 . 4 1 1 A 23 23 THR HA H 23 4.405 4.201 0.204 1
1 143 . 4 1 1 A 23 23 THR CB C 23 69.258 68.934 0.324 1
1 149 . 4 1 1 A 23 23 THR C C 23 174.733 175.418 -0.685 1
1 150 . 4 1 1 A 24 24 LEU N N 24 118.621 119.728 -1.107 1
1 151 . 4 1 1 A 24 24 LEU H H 24 7.397 8.179 -0.782 1
1 152 . 4 1 1 A 24 24 LEU CA C 24 52.956 53.922 -0.966 1
1 153 . 4 1 1 A 24 24 LEU HA H 24 4.672 4.532 0.140 1
1 154 . 4 1 1 A 24 24 LEU CB C 24 44.907 41.905 3.002 1
1 167 . 4 1 1 A 24 24 LEU C C 24 177.120 177.148 -0.028 1
1 168 . 4 1 1 A 25 25 LYS N N 25 125.592 127.512 -1.920 1
1 169 . 4 1 1 A 25 25 LYS H H 25 8.555 8.869 -0.314 1
1 170 . 4 1 1 A 25 25 LYS CA C 25 59.139 59.773 -0.634 1
1 171 . 4 1 1 A 25 25 LYS HA H 25 3.201 3.416 -0.215 1
1 172 . 4 1 1 A 25 25 LYS CB C 25 31.829 31.769 0.060 1
1 184 . 4 1 1 A 25 25 LYS C C 25 178.110 177.934 0.176 1
1 185 . 4 1 1 A 26 26 SER CA C 26 60.759 61.399 -0.640 1
1 186 . 4 1 1 A 26 26 SER HA H 26 4.034 4.118 -0.084 1
1 187 . 4 1 1 A 26 26 SER CB C 26 61.446 62.154 -0.708 1
1 190 . 4 1 1 A 26 26 SER C C 26 177.426 177.290 0.136 1
1 191 . 4 1 1 A 27 27 HIS N N 27 121.342 118.697 2.645 1
1 192 . 4 1 1 A 27 27 HIS H H 27 6.706 7.725 -1.019 1
1 193 . 4 1 1 A 27 27 HIS CA C 27 57.237 58.858 -1.621 1
1 194 . 4 1 1 A 27 27 HIS HA H 27 4.420 4.167 0.253 1
1 195 . 4 1 1 A 27 27 HIS CB C 27 31.574 29.981 1.593 1
1 202 . 4 1 1 A 27 27 HIS C C 27 178.457 177.102 1.355 1
1 203 . 4 1 1 A 28 28 LEU N N 28 122.540 120.044 2.496 1
1 204 . 4 1 1 A 28 28 LEU H H 28 7.190 7.566 -0.376 1
1 205 . 4 1 1 A 28 28 LEU CA C 28 57.976 57.693 0.283 1
1 206 . 4 1 1 A 28 28 LEU HA H 28 3.191 2.811 0.380 1
1 207 . 4 1 1 A 28 28 LEU CB C 28 40.034 41.263 -1.229 1
1 220 . 4 1 1 A 28 28 LEU C C 28 177.619 178.200 -0.581 1
1 221 . 4 1 1 A 29 29 ASN N N 29 117.886 116.304 1.582 1
1 222 . 4 1 1 A 29 29 ASN H H 29 8.500 8.361 0.139 1
1 223 . 4 1 1 A 29 29 ASN CA C 29 56.124 56.160 -0.036 1
1 224 . 4 1 1 A 29 29 ASN HA H 29 4.427 4.382 0.045 1
1 225 . 4 1 1 A 29 29 ASN CB C 29 37.934 38.671 -0.737 1
1 231 . 4 1 1 A 29 29 ASN C C 29 178.015 177.664 0.351 1
1 232 . 4 1 1 A 30 30 GLN N N 30 118.146 119.360 -1.214 1
1 233 . 4 1 1 A 30 30 GLN H H 30 7.682 8.066 -0.384 1
1 234 . 4 1 1 A 30 30 GLN CA C 30 58.640 58.206 0.434 1
1 235 . 4 1 1 A 30 30 GLN HA H 30 3.961 4.057 -0.096 1
1 236 . 4 1 1 A 30 30 GLN CB C 30 28.485 28.543 -0.058 1
1 245 . 4 1 1 A 30 30 GLN C C 30 178.333 178.191 0.142 1
1 246 . 4 1 1 A 31 31 HIS N N 31 119.699 119.531 0.168 1
1 247 . 4 1 1 A 31 31 HIS H H 31 7.693 7.942 -0.249 1
1 248 . 4 1 1 A 31 31 HIS CA C 31 58.923 59.228 -0.305 1
1 249 . 4 1 1 A 31 31 HIS HA H 31 4.181 4.118 0.063 1
1 250 . 4 1 1 A 31 31 HIS CB C 31 28.433 29.652 -1.219 1
1 257 . 4 1 1 A 31 31 HIS C C 31 176.132 177.335 -1.203 1
1 258 . 4 1 1 A 32 32 GLN N N 32 115.052 118.720 -3.668 1
1 259 . 4 1 1 A 32 32 GLN H H 32 8.305 8.088 0.217 1
1 260 . 4 1 1 A 32 32 GLN CA C 32 59.218 59.045 0.173 1
1 261 . 4 1 1 A 32 32 GLN HA H 32 3.660 3.827 -0.167 1
1 262 . 4 1 1 A 32 32 GLN CB C 32 28.322 28.233 0.089 1
1 271 . 4 1 1 A 32 32 GLN C C 32 177.230 178.544 -1.314 1
1 272 . 4 1 1 A 33 33 ARG N N 33 117.232 119.304 -2.072 1
1 273 . 4 1 1 A 33 33 ARG H H 33 7.068 7.874 -0.806 1
1 274 . 4 1 1 A 33 33 ARG CA C 33 58.313 58.318 -0.005 1
1 275 . 4 1 1 A 33 33 ARG HA H 33 4.101 4.014 0.087 1
1 276 . 4 1 1 A 33 33 ARG CB C 33 29.942 30.027 -0.085 1
1 285 . 4 1 1 A 33 33 ARG C C 33 178.473 178.407 0.066 1
1 286 . 4 1 1 A 34 34 ILE N N 34 116.070 115.604 0.466 1
1 287 . 4 1 1 A 34 34 ILE H H 34 7.787 7.337 0.450 1
1 288 . 4 1 1 A 34 34 ILE CA C 34 62.914 64.168 -1.254 1
1 289 . 4 1 1 A 34 34 ILE HA H 34 3.973 3.719 0.254 1
1 290 . 4 1 1 A 34 34 ILE CB C 34 37.629 37.253 0.376 1
1 303 . 4 1 1 A 34 34 ILE C C 34 177.355 177.890 -0.535 1
1 304 . 4 1 1 A 35 35 HIS N N 35 117.906 120.397 -2.491 1
1 305 . 4 1 1 A 35 35 HIS H H 35 7.208 7.604 -0.396 1
1 306 . 4 1 1 A 35 35 HIS CA C 35 55.220 59.151 -3.931 1
1 307 . 4 1 1 A 35 35 HIS HA H 35 4.832 4.422 0.410 1
1 308 . 4 1 1 A 35 35 HIS CB C 35 28.533 30.991 -2.458 1
1 315 . 4 1 1 A 35 35 HIS C C 35 175.765 175.615 0.150 1
1 316 . 4 1 1 A 36 36 THR N N 36 111.781 112.042 -0.261 1
1 317 . 4 1 1 A 36 36 THR H H 36 7.764 7.664 0.100 1
1 318 . 4 1 1 A 36 36 THR CA C 36 62.457 61.185 1.272 1
1 319 . 4 1 1 A 36 36 THR HA H 36 4.330 4.519 -0.189 1
1 320 . 4 1 1 A 36 36 THR CB C 36 69.813 69.686 0.127 1
1 326 . 4 1 1 A 36 36 THR C C 36 175.440 174.028 1.412 1
1 327 . 4 1 1 A 37 37 GLY N N 37 110.636 110.449 0.187 1
1 328 . 4 1 1 A 37 37 GLY H H 37 8.211 7.797 0.414 1
1 329 . 4 1 1 A 37 37 GLY CA C 37 45.325 45.355 -0.030 1
1 330 . 4 1 1 A 37 37 GLY HA2 H 37 3.923 4.048 -0.125 1
1 331 . 4 1 1 A 37 37 GLY HA3 H 37 4.004 4.063 -0.059 1
1 332 . 4 1 1 A 37 37 GLY C C 37 174.040 172.608 1.432 1
1 333 . 4 1 1 A 38 38 GLU N N 38 120.567 123.473 -2.906 1
1 334 . 4 1 1 A 38 38 GLU H H 38 8.073 8.249 -0.176 1
1 335 . 4 1 1 A 38 38 GLU CA C 38 56.418 56.303 0.115 1
1 336 . 4 1 1 A 38 38 GLU HA H 38 4.217 4.200 0.017 1
1 337 . 4 1 1 A 38 38 GLU CB C 38 30.522 30.714 -0.192 1
1 343 . 4 1 1 A 38 38 GLU C C 38 176.215 177.294 -1.079 1
1 344 . 4 1 1 A 39 39 LYS N N 39 123.787 125.446 -1.659 1
1 345 . 4 1 1 A 39 39 LYS H H 39 8.387 8.854 -0.467 1
1 346 . 4 1 1 A 39 39 LYS CA C 39 54.102 57.071 -2.969 1
1 347 . 4 1 1 A 39 39 LYS HA H 39 4.575 4.024 0.551 1
1 348 . 4 1 1 A 39 39 LYS CB C 39 32.422 30.129 2.293 1
1 359 . 4 1 1 A 39 39 LYS C C 39 174.478 176.184 -1.706 1
1 360 . 4 1 1 A 40 40 PRO CA C 40 63.208 62.302 0.906 1
1 361 . 4 1 1 A 40 40 PRO HA H 40 4.440 4.580 -0.140 1
1 362 . 4 1 1 A 40 40 PRO CB C 40 32.147 32.606 -0.459 1
1 371 . 4 1 1 A 43 43 PRO CA C 43 63.124 62.830 0.294 1
1 372 . 4 1 1 A 43 43 PRO HA H 43 4.417 4.611 -0.194 1
1 373 . 4 1 1 A 43 43 PRO CB C 43 32.161 31.947 0.214 1
1 382 . 4 1 1 A 45 45 SER CA C 45 58.357 59.268 -0.911 1
1 383 . 4 1 1 A 45 45 SER HA H 45 4.478 4.263 0.215 1
1 384 . 4 1 1 A 45 45 SER CB C 45 63.886 63.311 0.575 1
1 387 . 4 1 1 A 45 45 SER C C 45 173.890 174.668 -0.778 1
1 1 . 5 1 1 A 10 10 THR CA C 10 62.043 60.849 1.194 1
1 2 . 5 1 1 A 10 10 THR HA H 10 4.275 4.795 -0.520 1
1 3 . 5 1 1 A 10 10 THR CB C 10 69.619 68.371 1.248 1
1 9 . 5 1 1 A 10 10 THR C C 10 174.384 173.002 1.382 1
1 10 . 5 1 1 A 11 11 LYS N N 11 124.060 128.045 -3.985 1
1 11 . 5 1 1 A 11 11 LYS H H 11 8.302 7.848 0.454 1
1 12 . 5 1 1 A 11 11 LYS CA C 11 55.798 54.857 0.941 1
1 13 . 5 1 1 A 11 11 LYS HA H 11 4.240 4.649 -0.409 1
1 14 . 5 1 1 A 11 11 LYS CB C 11 32.582 34.379 -1.797 1
1 25 . 5 1 1 A 11 11 LYS C C 11 175.995 176.627 -0.632 1
1 26 . 5 1 1 A 12 12 SER N N 12 116.110 118.846 -2.736 1
1 27 . 5 1 1 A 12 12 SER H H 12 7.977 8.600 -0.623 1
1 28 . 5 1 1 A 12 12 SER CA C 12 58.636 61.675 -3.039 1
1 29 . 5 1 1 A 12 12 SER HA H 12 4.260 4.242 0.018 1
1 30 . 5 1 1 A 12 12 SER CB C 12 64.029 62.974 1.055 1
1 33 . 5 1 1 A 12 12 SER C C 12 173.332 173.981 -0.649 1
1 34 . 5 1 1 A 13 13 HIS N N 13 122.195 115.615 6.580 1
1 35 . 5 1 1 A 13 13 HIS H H 13 8.407 7.977 0.430 1
1 36 . 5 1 1 A 13 13 HIS CA C 13 55.603 54.588 1.015 1
1 37 . 5 1 1 A 13 13 HIS HA H 13 4.625 5.230 -0.605 1
1 38 . 5 1 1 A 13 13 HIS CB C 13 31.227 31.322 -0.095 1
1 45 . 5 1 1 A 13 13 HIS C C 13 174.550 173.976 0.574 1
1 46 . 5 1 1 A 14 14 GLN N N 14 123.997 123.504 0.493 1
1 47 . 5 1 1 A 14 14 GLN H H 14 8.662 9.023 -0.361 1
1 48 . 5 1 1 A 14 14 GLN CA C 14 54.912 53.855 1.057 1
1 49 . 5 1 1 A 14 14 GLN HA H 14 4.909 5.246 -0.337 1
1 50 . 5 1 1 A 14 14 GLN CB C 14 31.614 32.392 -0.778 1
1 59 . 5 1 1 A 14 14 GLN C C 14 174.837 174.402 0.435 1
1 60 . 5 1 1 A 15 15 CYS N N 15 126.364 124.193 2.171 1
1 61 . 5 1 1 A 15 15 CYS H H 15 9.186 9.474 -0.288 1
1 62 . 5 1 1 A 15 15 CYS CA C 15 59.390 59.640 -0.250 1
1 63 . 5 1 1 A 15 15 CYS HA H 15 4.532 4.778 -0.246 1
1 64 . 5 1 1 A 15 15 CYS CB C 15 29.575 29.154 0.421 1
1 67 . 5 1 1 A 15 15 CYS C C 15 177.214 174.480 2.734 1
1 68 . 5 1 1 A 16 16 HIS CA C 16 58.476 57.247 1.229 1
1 69 . 5 1 1 A 16 16 HIS HA H 16 4.471 4.662 -0.191 1
1 70 . 5 1 1 A 16 16 HIS CB C 16 29.832 31.594 -1.762 1
1 77 . 5 1 1 A 16 16 HIS C C 16 175.596 177.118 -1.522 1
1 78 . 5 1 1 A 17 17 GLU N N 17 120.837 118.068 2.769 1
1 79 . 5 1 1 A 17 17 GLU H H 17 8.472 7.765 0.707 1
1 80 . 5 1 1 A 17 17 GLU CA C 17 58.401 58.493 -0.092 1
1 81 . 5 1 1 A 17 17 GLU HA H 17 4.121 3.741 0.380 1
1 82 . 5 1 1 A 17 17 GLU CB C 17 29.314 29.550 -0.236 1
1 88 . 5 1 1 A 17 17 GLU C C 17 177.130 177.699 -0.569 1
1 89 . 5 1 1 A 18 18 CYS N N 18 114.120 114.981 -0.861 1
1 90 . 5 1 1 A 18 18 CYS H H 18 7.802 7.857 -0.055 1
1 91 . 5 1 1 A 18 18 CYS CA C 18 58.221 59.202 -0.981 1
1 92 . 5 1 1 A 18 18 CYS HA H 18 5.117 4.604 0.513 1
1 93 . 5 1 1 A 18 18 CYS CB C 18 32.389 30.323 2.066 1
1 96 . 5 1 1 A 18 18 CYS C C 18 176.179 175.862 0.317 1
1 97 . 5 1 1 A 19 19 GLY N N 19 113.325 110.616 2.709 1
1 98 . 5 1 1 A 19 19 GLY H H 19 8.099 8.249 -0.150 1
1 99 . 5 1 1 A 19 19 GLY CA C 19 46.177 45.479 0.698 1
1 100 . 5 1 1 A 19 19 GLY HA2 H 19 3.804 3.957 -0.153 1
1 101 . 5 1 1 A 19 19 GLY HA3 H 19 4.212 3.986 0.226 1
1 102 . 5 1 1 A 19 19 GLY C C 19 173.985 174.774 -0.789 1
1 103 . 5 1 1 A 20 20 ARG N N 20 122.410 120.353 2.057 1
1 104 . 5 1 1 A 20 20 ARG H H 20 7.910 7.430 0.480 1
1 105 . 5 1 1 A 20 20 ARG CA C 20 57.691 55.875 1.816 1
1 106 . 5 1 1 A 20 20 ARG HA H 20 3.970 4.296 -0.326 1
1 107 . 5 1 1 A 20 20 ARG CB C 20 31.437 31.657 -0.220 1
1 116 . 5 1 1 A 20 20 ARG C C 20 174.491 175.341 -0.850 1
1 117 . 5 1 1 A 21 21 GLY N N 21 108.663 107.686 0.977 1
1 118 . 5 1 1 A 21 21 GLY H H 21 8.053 8.180 -0.127 1
1 119 . 5 1 1 A 21 21 GLY CA C 21 43.942 43.800 0.142 1
1 120 . 5 1 1 A 21 21 GLY HA2 H 21 3.349 4.100 -0.751 1
1 121 . 5 1 1 A 21 21 GLY HA3 H 21 4.767 4.208 0.559 1
1 122 . 5 1 1 A 21 21 GLY C C 21 172.522 171.678 0.844 1
1 123 . 5 1 1 A 22 22 PHE N N 22 117.603 121.935 -4.332 1
1 124 . 5 1 1 A 22 22 PHE H H 22 8.383 8.713 -0.330 1
1 125 . 5 1 1 A 22 22 PHE CA C 22 57.190 56.424 0.766 1
1 126 . 5 1 1 A 22 22 PHE HA H 22 4.803 4.982 -0.179 1
1 127 . 5 1 1 A 22 22 PHE CB C 22 43.726 42.453 1.273 1
1 140 . 5 1 1 A 22 22 PHE C C 22 175.623 175.919 -0.296 1
1 141 . 5 1 1 A 23 23 THR CA C 23 64.469 66.931 -2.462 1
1 142 . 5 1 1 A 23 23 THR HA H 23 4.405 4.138 0.267 1
1 143 . 5 1 1 A 23 23 THR CB C 23 69.258 68.733 0.525 1
1 149 . 5 1 1 A 23 23 THR C C 23 174.733 175.471 -0.738 1
1 150 . 5 1 1 A 24 24 LEU N N 24 118.621 119.445 -0.824 1
1 151 . 5 1 1 A 24 24 LEU H H 24 7.397 8.133 -0.736 1
1 152 . 5 1 1 A 24 24 LEU CA C 24 52.956 54.126 -1.170 1
1 153 . 5 1 1 A 24 24 LEU HA H 24 4.672 4.532 0.140 1
1 154 . 5 1 1 A 24 24 LEU CB C 24 44.907 41.790 3.117 1
1 167 . 5 1 1 A 24 24 LEU C C 24 177.120 177.303 -0.183 1
1 168 . 5 1 1 A 25 25 LYS N N 25 125.592 127.860 -2.268 1
1 169 . 5 1 1 A 25 25 LYS H H 25 8.555 8.945 -0.390 1
1 170 . 5 1 1 A 25 25 LYS CA C 25 59.139 59.750 -0.611 1
1 171 . 5 1 1 A 25 25 LYS HA H 25 3.201 3.128 0.073 1
1 172 . 5 1 1 A 25 25 LYS CB C 25 31.829 31.679 0.150 1
1 184 . 5 1 1 A 25 25 LYS C C 25 178.110 178.015 0.095 1
1 185 . 5 1 1 A 26 26 SER CA C 26 60.759 61.628 -0.869 1
1 186 . 5 1 1 A 26 26 SER HA H 26 4.034 4.061 -0.027 1
1 187 . 5 1 1 A 26 26 SER CB C 26 61.446 62.990 -1.544 1
1 190 . 5 1 1 A 26 26 SER C C 26 177.426 177.184 0.242 1
1 191 . 5 1 1 A 27 27 HIS N N 27 121.342 119.403 1.939 1
1 192 . 5 1 1 A 27 27 HIS H H 27 6.706 8.174 -1.468 1
1 193 . 5 1 1 A 27 27 HIS CA C 27 57.237 59.227 -1.990 1
1 194 . 5 1 1 A 27 27 HIS HA H 27 4.420 4.142 0.278 1
1 195 . 5 1 1 A 27 27 HIS CB C 27 31.574 30.071 1.503 1
1 202 . 5 1 1 A 27 27 HIS C C 27 178.457 177.067 1.390 1
1 203 . 5 1 1 A 28 28 LEU N N 28 122.540 120.178 2.362 1
1 204 . 5 1 1 A 28 28 LEU H H 28 7.190 7.633 -0.443 1
1 205 . 5 1 1 A 28 28 LEU CA C 28 57.976 57.951 0.025 1
1 206 . 5 1 1 A 28 28 LEU HA H 28 3.191 2.577 0.614 1
1 207 . 5 1 1 A 28 28 LEU CB C 28 40.034 41.690 -1.656 1
1 220 . 5 1 1 A 28 28 LEU C C 28 177.619 178.070 -0.451 1
1 221 . 5 1 1 A 29 29 ASN N N 29 117.886 116.628 1.258 1
1 222 . 5 1 1 A 29 29 ASN H H 29 8.500 8.052 0.448 1
1 223 . 5 1 1 A 29 29 ASN CA C 29 56.124 56.645 -0.521 1
1 224 . 5 1 1 A 29 29 ASN HA H 29 4.427 4.325 0.102 1
1 225 . 5 1 1 A 29 29 ASN CB C 29 37.934 38.704 -0.770 1
1 231 . 5 1 1 A 29 29 ASN C C 29 178.015 177.611 0.404 1
1 232 . 5 1 1 A 30 30 GLN N N 30 118.146 117.509 0.637 1
1 233 . 5 1 1 A 30 30 GLN H H 30 7.682 8.504 -0.822 1
1 234 . 5 1 1 A 30 30 GLN CA C 30 58.640 58.620 0.020 1
1 235 . 5 1 1 A 30 30 GLN HA H 30 3.961 4.035 -0.074 1
1 236 . 5 1 1 A 30 30 GLN CB C 30 28.485 28.791 -0.306 1
1 245 . 5 1 1 A 30 30 GLN C C 30 178.333 178.303 0.030 1
1 246 . 5 1 1 A 31 31 HIS N N 31 119.699 121.161 -1.462 1
1 247 . 5 1 1 A 31 31 HIS H H 31 7.693 8.253 -0.560 1
1 248 . 5 1 1 A 31 31 HIS CA C 31 58.923 59.711 -0.788 1
1 249 . 5 1 1 A 31 31 HIS HA H 31 4.181 4.147 0.034 1
1 250 . 5 1 1 A 31 31 HIS CB C 31 28.433 29.519 -1.086 1
1 257 . 5 1 1 A 31 31 HIS C C 31 176.132 177.411 -1.279 1
1 258 . 5 1 1 A 32 32 GLN N N 32 115.052 118.429 -3.377 1
1 259 . 5 1 1 A 32 32 GLN H H 32 8.305 8.471 -0.166 1
1 260 . 5 1 1 A 32 32 GLN CA C 32 59.218 58.616 0.602 1
1 261 . 5 1 1 A 32 32 GLN HA H 32 3.660 3.999 -0.339 1
1 262 . 5 1 1 A 32 32 GLN CB C 32 28.322 28.265 0.057 1
1 271 . 5 1 1 A 32 32 GLN C C 32 177.230 178.267 -1.037 1
1 272 . 5 1 1 A 33 33 ARG N N 33 117.232 119.064 -1.832 1
1 273 . 5 1 1 A 33 33 ARG H H 33 7.068 7.595 -0.527 1
1 274 . 5 1 1 A 33 33 ARG CA C 33 58.313 58.704 -0.391 1
1 275 . 5 1 1 A 33 33 ARG HA H 33 4.101 4.188 -0.087 1
1 276 . 5 1 1 A 33 33 ARG CB C 33 29.942 29.841 0.101 1
1 285 . 5 1 1 A 33 33 ARG C C 33 178.473 178.921 -0.448 1
1 286 . 5 1 1 A 34 34 ILE N N 34 116.070 115.858 0.212 1
1 287 . 5 1 1 A 34 34 ILE H H 34 7.787 7.645 0.142 1
1 288 . 5 1 1 A 34 34 ILE CA C 34 62.914 62.985 -0.071 1
1 289 . 5 1 1 A 34 34 ILE HA H 34 3.973 3.857 0.116 1
1 290 . 5 1 1 A 34 34 ILE CB C 34 37.629 37.096 0.533 1
1 303 . 5 1 1 A 34 34 ILE C C 34 177.355 176.242 1.113 1
1 304 . 5 1 1 A 35 35 HIS N N 35 117.906 119.540 -1.634 1
1 305 . 5 1 1 A 35 35 HIS H H 35 7.208 7.794 -0.586 1
1 306 . 5 1 1 A 35 35 HIS CA C 35 55.220 56.485 -1.265 1
1 307 . 5 1 1 A 35 35 HIS HA H 35 4.832 4.747 0.085 1
1 308 . 5 1 1 A 35 35 HIS CB C 35 28.533 31.718 -3.185 1
1 315 . 5 1 1 A 35 35 HIS C C 35 175.765 175.688 0.077 1
1 316 . 5 1 1 A 36 36 THR N N 36 111.781 106.998 4.783 1
1 317 . 5 1 1 A 36 36 THR H H 36 7.764 7.398 0.366 1
1 318 . 5 1 1 A 36 36 THR CA C 36 62.457 60.971 1.486 1
1 319 . 5 1 1 A 36 36 THR HA H 36 4.330 4.409 -0.079 1
1 320 . 5 1 1 A 36 36 THR CB C 36 69.813 68.354 1.459 1
1 326 . 5 1 1 A 36 36 THR C C 36 175.440 174.285 1.155 1
1 327 . 5 1 1 A 37 37 GLY N N 37 110.636 110.919 -0.283 1
1 328 . 5 1 1 A 37 37 GLY H H 37 8.211 7.849 0.362 1
1 329 . 5 1 1 A 37 37 GLY CA C 37 45.325 45.214 0.111 1
1 330 . 5 1 1 A 37 37 GLY HA2 H 37 3.923 4.148 -0.225 1
1 331 . 5 1 1 A 37 37 GLY HA3 H 37 4.004 4.156 -0.152 1
1 332 . 5 1 1 A 37 37 GLY C C 37 174.040 172.924 1.116 1
1 333 . 5 1 1 A 38 38 GLU N N 38 120.567 116.996 3.571 1
1 334 . 5 1 1 A 38 38 GLU H H 38 8.073 8.468 -0.395 1
1 335 . 5 1 1 A 38 38 GLU CA C 38 56.418 56.402 0.016 1
1 336 . 5 1 1 A 38 38 GLU HA H 38 4.217 4.365 -0.148 1
1 337 . 5 1 1 A 38 38 GLU CB C 38 30.522 30.124 0.398 1
1 343 . 5 1 1 A 38 38 GLU C C 38 176.215 176.248 -0.033 1
1 344 . 5 1 1 A 39 39 LYS N N 39 123.787 119.661 4.126 1
1 345 . 5 1 1 A 39 39 LYS H H 39 8.387 8.922 -0.535 1
1 346 . 5 1 1 A 39 39 LYS CA C 39 54.102 54.489 -0.387 1
1 347 . 5 1 1 A 39 39 LYS HA H 39 4.575 4.870 -0.295 1
1 348 . 5 1 1 A 39 39 LYS CB C 39 32.422 36.029 -3.607 1
1 359 . 5 1 1 A 39 39 LYS C C 39 174.478 173.444 1.034 1
1 360 . 5 1 1 A 40 40 PRO CA C 40 63.208 62.737 0.471 1
1 361 . 5 1 1 A 40 40 PRO HA H 40 4.440 4.788 -0.348 1
1 362 . 5 1 1 A 40 40 PRO CB C 40 32.147 32.188 -0.041 1
1 371 . 5 1 1 A 43 43 PRO CA C 43 63.124 62.760 0.364 1
1 372 . 5 1 1 A 43 43 PRO HA H 43 4.417 4.624 -0.207 1
1 373 . 5 1 1 A 43 43 PRO CB C 43 32.161 32.680 -0.519 1
1 382 . 5 1 1 A 45 45 SER CA C 45 58.357 57.437 0.920 1
1 383 . 5 1 1 A 45 45 SER HA H 45 4.478 5.245 -0.767 1
1 384 . 5 1 1 A 45 45 SER CB C 45 63.886 65.766 -1.880 1
1 387 . 5 1 1 A 45 45 SER C C 45 173.890 173.384 0.506 1
1 1 . 6 1 1 A 10 10 THR CA C 10 62.043 61.130 0.913 1
1 2 . 6 1 1 A 10 10 THR HA H 10 4.275 4.469 -0.194 1
1 3 . 6 1 1 A 10 10 THR CB C 10 69.619 67.303 2.316 1
1 9 . 6 1 1 A 10 10 THR C C 10 174.384 173.444 0.940 1
1 10 . 6 1 1 A 11 11 LYS N N 11 124.060 126.622 -2.562 1
1 11 . 6 1 1 A 11 11 LYS H H 11 8.302 7.706 0.596 1
1 12 . 6 1 1 A 11 11 LYS CA C 11 55.798 56.568 -0.770 1
1 13 . 6 1 1 A 11 11 LYS HA H 11 4.240 4.337 -0.097 1
1 14 . 6 1 1 A 11 11 LYS CB C 11 32.582 33.373 -0.791 1
1 25 . 6 1 1 A 11 11 LYS C C 11 175.995 175.995 0.000 1
1 26 . 6 1 1 A 12 12 SER N N 12 116.110 118.157 -2.047 1
1 27 . 6 1 1 A 12 12 SER H H 12 7.977 8.565 -0.588 1
1 28 . 6 1 1 A 12 12 SER CA C 12 58.636 60.271 -1.635 1
1 29 . 6 1 1 A 12 12 SER HA H 12 4.260 4.492 -0.232 1
1 30 . 6 1 1 A 12 12 SER CB C 12 64.029 64.153 -0.124 1
1 33 . 6 1 1 A 12 12 SER C C 12 173.332 173.760 -0.428 1
1 34 . 6 1 1 A 13 13 HIS N N 13 122.195 116.427 5.768 1
1 35 . 6 1 1 A 13 13 HIS H H 13 8.407 7.756 0.651 1
1 36 . 6 1 1 A 13 13 HIS CA C 13 55.603 55.504 0.099 1
1 37 . 6 1 1 A 13 13 HIS HA H 13 4.625 4.840 -0.215 1
1 38 . 6 1 1 A 13 13 HIS CB C 13 31.227 30.573 0.654 1
1 45 . 6 1 1 A 13 13 HIS C C 13 174.550 174.502 0.048 1
1 46 . 6 1 1 A 14 14 GLN N N 14 123.997 123.329 0.668 1
1 47 . 6 1 1 A 14 14 GLN H H 14 8.662 8.911 -0.249 1
1 48 . 6 1 1 A 14 14 GLN CA C 14 54.912 53.918 0.994 1
1 49 . 6 1 1 A 14 14 GLN HA H 14 4.909 5.382 -0.473 1
1 50 . 6 1 1 A 14 14 GLN CB C 14 31.614 32.321 -0.707 1
1 59 . 6 1 1 A 14 14 GLN C C 14 174.837 174.152 0.685 1
1 60 . 6 1 1 A 15 15 CYS N N 15 126.364 124.213 2.151 1
1 61 . 6 1 1 A 15 15 CYS H H 15 9.186 9.017 0.169 1
1 62 . 6 1 1 A 15 15 CYS CA C 15 59.390 59.488 -0.098 1
1 63 . 6 1 1 A 15 15 CYS HA H 15 4.532 4.618 -0.086 1
1 64 . 6 1 1 A 15 15 CYS CB C 15 29.575 29.128 0.447 1
1 67 . 6 1 1 A 15 15 CYS C C 15 177.214 174.810 2.404 1
1 68 . 6 1 1 A 16 16 HIS CA C 16 58.476 57.164 1.312 1
1 69 . 6 1 1 A 16 16 HIS HA H 16 4.471 4.657 -0.186 1
1 70 . 6 1 1 A 16 16 HIS CB C 16 29.832 31.729 -1.897 1
1 77 . 6 1 1 A 16 16 HIS C C 16 175.596 176.519 -0.923 1
1 78 . 6 1 1 A 17 17 GLU N N 17 120.837 119.336 1.501 1
1 79 . 6 1 1 A 17 17 GLU H H 17 8.472 7.935 0.537 1
1 80 . 6 1 1 A 17 17 GLU CA C 17 58.401 58.873 -0.472 1
1 81 . 6 1 1 A 17 17 GLU HA H 17 4.121 4.023 0.098 1
1 82 . 6 1 1 A 17 17 GLU CB C 17 29.314 29.420 -0.106 1
1 88 . 6 1 1 A 17 17 GLU C C 17 177.130 177.857 -0.727 1
1 89 . 6 1 1 A 18 18 CYS N N 18 114.120 114.931 -0.811 1
1 90 . 6 1 1 A 18 18 CYS H H 18 7.802 7.903 -0.101 1
1 91 . 6 1 1 A 18 18 CYS CA C 18 58.221 59.328 -1.107 1
1 92 . 6 1 1 A 18 18 CYS HA H 18 5.117 4.668 0.449 1
1 93 . 6 1 1 A 18 18 CYS CB C 18 32.389 30.383 2.006 1
1 96 . 6 1 1 A 18 18 CYS C C 18 176.179 175.890 0.289 1
1 97 . 6 1 1 A 19 19 GLY N N 19 113.325 110.499 2.826 1
1 98 . 6 1 1 A 19 19 GLY H H 19 8.099 8.247 -0.148 1
1 99 . 6 1 1 A 19 19 GLY CA C 19 46.177 45.811 0.366 1
1 100 . 6 1 1 A 19 19 GLY HA2 H 19 3.804 3.933 -0.129 1
1 101 . 6 1 1 A 19 19 GLY HA3 H 19 4.212 3.946 0.266 1
1 102 . 6 1 1 A 19 19 GLY C C 19 173.985 174.342 -0.357 1
1 103 . 6 1 1 A 20 20 ARG N N 20 122.410 119.214 3.196 1
1 104 . 6 1 1 A 20 20 ARG H H 20 7.910 7.750 0.160 1
1 105 . 6 1 1 A 20 20 ARG CA C 20 57.691 55.033 2.658 1
1 106 . 6 1 1 A 20 20 ARG HA H 20 3.970 4.423 -0.453 1
1 107 . 6 1 1 A 20 20 ARG CB C 20 31.437 31.707 -0.270 1
1 116 . 6 1 1 A 20 20 ARG C C 20 174.491 175.274 -0.783 1
1 117 . 6 1 1 A 21 21 GLY N N 21 108.663 108.523 0.140 1
1 118 . 6 1 1 A 21 21 GLY H H 21 8.053 8.193 -0.140 1
1 119 . 6 1 1 A 21 21 GLY CA C 21 43.942 44.150 -0.208 1
1 120 . 6 1 1 A 21 21 GLY HA2 H 21 3.349 4.043 -0.694 1
1 121 . 6 1 1 A 21 21 GLY HA3 H 21 4.767 4.087 0.680 1
1 122 . 6 1 1 A 21 21 GLY C C 21 172.522 171.633 0.889 1
1 123 . 6 1 1 A 22 22 PHE N N 22 117.603 123.572 -5.969 1
1 124 . 6 1 1 A 22 22 PHE H H 22 8.383 8.963 -0.580 1
1 125 . 6 1 1 A 22 22 PHE CA C 22 57.190 56.416 0.774 1
1 126 . 6 1 1 A 22 22 PHE HA H 22 4.803 4.918 -0.115 1
1 127 . 6 1 1 A 22 22 PHE CB C 22 43.726 41.678 2.048 1
1 140 . 6 1 1 A 22 22 PHE C C 22 175.623 175.870 -0.247 1
1 141 . 6 1 1 A 23 23 THR CA C 23 64.469 66.874 -2.405 1
1 142 . 6 1 1 A 23 23 THR HA H 23 4.405 4.233 0.172 1
1 143 . 6 1 1 A 23 23 THR CB C 23 69.258 69.105 0.153 1
1 149 . 6 1 1 A 23 23 THR C C 23 174.733 175.280 -0.547 1
1 150 . 6 1 1 A 24 24 LEU N N 24 118.621 119.576 -0.955 1
1 151 . 6 1 1 A 24 24 LEU H H 24 7.397 8.190 -0.793 1
1 152 . 6 1 1 A 24 24 LEU CA C 24 52.956 53.978 -1.022 1
1 153 . 6 1 1 A 24 24 LEU HA H 24 4.672 4.566 0.106 1
1 154 . 6 1 1 A 24 24 LEU CB C 24 44.907 41.577 3.330 1
1 167 . 6 1 1 A 24 24 LEU C C 24 177.120 177.332 -0.212 1
1 168 . 6 1 1 A 25 25 LYS N N 25 125.592 127.654 -2.062 1
1 169 . 6 1 1 A 25 25 LYS H H 25 8.555 8.992 -0.437 1
1 170 . 6 1 1 A 25 25 LYS CA C 25 59.139 59.565 -0.426 1
1 171 . 6 1 1 A 25 25 LYS HA H 25 3.201 3.113 0.088 1
1 172 . 6 1 1 A 25 25 LYS CB C 25 31.829 31.771 0.058 1
1 184 . 6 1 1 A 25 25 LYS C C 25 178.110 177.845 0.265 1
1 185 . 6 1 1 A 26 26 SER CA C 26 60.759 61.582 -0.823 1
1 186 . 6 1 1 A 26 26 SER HA H 26 4.034 4.027 0.007 1
1 187 . 6 1 1 A 26 26 SER CB C 26 61.446 63.009 -1.563 1
1 190 . 6 1 1 A 26 26 SER C C 26 177.426 177.034 0.392 1
1 191 . 6 1 1 A 27 27 HIS N N 27 121.342 119.395 1.947 1
1 192 . 6 1 1 A 27 27 HIS H H 27 6.706 7.775 -1.069 1
1 193 . 6 1 1 A 27 27 HIS CA C 27 57.237 59.169 -1.932 1
1 194 . 6 1 1 A 27 27 HIS HA H 27 4.420 4.084 0.336 1
1 195 . 6 1 1 A 27 27 HIS CB C 27 31.574 29.925 1.649 1
1 202 . 6 1 1 A 27 27 HIS C C 27 178.457 176.982 1.475 1
1 203 . 6 1 1 A 28 28 LEU N N 28 122.540 120.207 2.333 1
1 204 . 6 1 1 A 28 28 LEU H H 28 7.190 7.550 -0.360 1
1 205 . 6 1 1 A 28 28 LEU CA C 28 57.976 58.073 -0.097 1
1 206 . 6 1 1 A 28 28 LEU HA H 28 3.191 2.899 0.292 1
1 207 . 6 1 1 A 28 28 LEU CB C 28 40.034 41.780 -1.746 1
1 220 . 6 1 1 A 28 28 LEU C C 28 177.619 178.296 -0.677 1
1 221 . 6 1 1 A 29 29 ASN N N 29 117.886 116.241 1.645 1
1 222 . 6 1 1 A 29 29 ASN H H 29 8.500 8.330 0.170 1
1 223 . 6 1 1 A 29 29 ASN CA C 29 56.124 56.425 -0.301 1
1 224 . 6 1 1 A 29 29 ASN HA H 29 4.427 4.368 0.059 1
1 225 . 6 1 1 A 29 29 ASN CB C 29 37.934 37.749 0.185 1
1 231 . 6 1 1 A 29 29 ASN C C 29 178.015 177.394 0.621 1
1 232 . 6 1 1 A 30 30 GLN N N 30 118.146 120.262 -2.116 1
1 233 . 6 1 1 A 30 30 GLN H H 30 7.682 8.137 -0.455 1
1 234 . 6 1 1 A 30 30 GLN CA C 30 58.640 58.734 -0.094 1
1 235 . 6 1 1 A 30 30 GLN HA H 30 3.961 4.000 -0.039 1
1 236 . 6 1 1 A 30 30 GLN CB C 30 28.485 28.459 0.026 1
1 245 . 6 1 1 A 30 30 GLN C C 30 178.333 178.384 -0.051 1
1 246 . 6 1 1 A 31 31 HIS N N 31 119.699 119.469 0.230 1
1 247 . 6 1 1 A 31 31 HIS H H 31 7.693 8.346 -0.653 1
1 248 . 6 1 1 A 31 31 HIS CA C 31 58.923 59.544 -0.621 1
1 249 . 6 1 1 A 31 31 HIS HA H 31 4.181 4.114 0.067 1
1 250 . 6 1 1 A 31 31 HIS CB C 31 28.433 29.328 -0.895 1
1 257 . 6 1 1 A 31 31 HIS C C 31 176.132 177.263 -1.131 1
1 258 . 6 1 1 A 32 32 GLN N N 32 115.052 117.595 -2.543 1
1 259 . 6 1 1 A 32 32 GLN H H 32 8.305 8.573 -0.268 1
1 260 . 6 1 1 A 32 32 GLN CA C 32 59.218 59.030 0.188 1
1 261 . 6 1 1 A 32 32 GLN HA H 32 3.660 3.920 -0.260 1
1 262 . 6 1 1 A 32 32 GLN CB C 32 28.322 28.264 0.058 1
1 271 . 6 1 1 A 32 32 GLN C C 32 177.230 178.521 -1.291 1
1 272 . 6 1 1 A 33 33 ARG N N 33 117.232 119.552 -2.320 1
1 273 . 6 1 1 A 33 33 ARG H H 33 7.068 7.557 -0.489 1
1 274 . 6 1 1 A 33 33 ARG CA C 33 58.313 58.962 -0.649 1
1 275 . 6 1 1 A 33 33 ARG HA H 33 4.101 4.044 0.057 1
1 276 . 6 1 1 A 33 33 ARG CB C 33 29.942 29.939 0.003 1
1 285 . 6 1 1 A 33 33 ARG C C 33 178.473 179.045 -0.572 1
1 286 . 6 1 1 A 34 34 ILE N N 34 116.070 116.509 -0.439 1
1 287 . 6 1 1 A 34 34 ILE H H 34 7.787 7.763 0.024 1
1 288 . 6 1 1 A 34 34 ILE CA C 34 62.914 62.910 0.004 1
1 289 . 6 1 1 A 34 34 ILE HA H 34 3.973 3.837 0.136 1
1 290 . 6 1 1 A 34 34 ILE CB C 34 37.629 37.153 0.476 1
1 303 . 6 1 1 A 34 34 ILE C C 34 177.355 176.673 0.682 1
1 304 . 6 1 1 A 35 35 HIS N N 35 117.906 118.847 -0.941 1
1 305 . 6 1 1 A 35 35 HIS H H 35 7.208 7.864 -0.656 1
1 306 . 6 1 1 A 35 35 HIS CA C 35 55.220 57.002 -1.782 1
1 307 . 6 1 1 A 35 35 HIS HA H 35 4.832 4.621 0.211 1
1 308 . 6 1 1 A 35 35 HIS CB C 35 28.533 31.646 -3.113 1
1 315 . 6 1 1 A 35 35 HIS C C 35 175.765 175.166 0.599 1
1 316 . 6 1 1 A 36 36 THR N N 36 111.781 111.715 0.066 1
1 317 . 6 1 1 A 36 36 THR H H 36 7.764 7.278 0.486 1
1 318 . 6 1 1 A 36 36 THR CA C 36 62.457 63.035 -0.578 1
1 319 . 6 1 1 A 36 36 THR HA H 36 4.330 4.162 0.168 1
1 320 . 6 1 1 A 36 36 THR CB C 36 69.813 68.643 1.170 1
1 326 . 6 1 1 A 36 36 THR C C 36 175.440 174.610 0.830 1
1 327 . 6 1 1 A 37 37 GLY N N 37 110.636 109.216 1.420 1
1 328 . 6 1 1 A 37 37 GLY H H 37 8.211 8.542 -0.331 1
1 329 . 6 1 1 A 37 37 GLY CA C 37 45.325 44.978 0.347 1
1 330 . 6 1 1 A 37 37 GLY HA2 H 37 3.923 4.182 -0.259 1
1 331 . 6 1 1 A 37 37 GLY HA3 H 37 4.004 4.184 -0.180 1
1 332 . 6 1 1 A 37 37 GLY C C 37 174.040 171.645 2.395 1
1 333 . 6 1 1 A 38 38 GLU N N 38 120.567 120.649 -0.082 1
1 334 . 6 1 1 A 38 38 GLU H H 38 8.073 8.591 -0.518 1
1 335 . 6 1 1 A 38 38 GLU CA C 38 56.418 54.598 1.820 1
1 336 . 6 1 1 A 38 38 GLU HA H 38 4.217 4.696 -0.479 1
1 337 . 6 1 1 A 38 38 GLU CB C 38 30.522 32.605 -2.083 1
1 343 . 6 1 1 A 38 38 GLU C C 38 176.215 175.814 0.401 1
1 344 . 6 1 1 A 39 39 LYS N N 39 123.787 117.601 6.186 1
1 345 . 6 1 1 A 39 39 LYS H H 39 8.387 8.746 -0.359 1
1 346 . 6 1 1 A 39 39 LYS CA C 39 54.102 56.883 -2.781 1
1 347 . 6 1 1 A 39 39 LYS HA H 39 4.575 3.768 0.807 1
1 348 . 6 1 1 A 39 39 LYS CB C 39 32.422 30.730 1.692 1
1 359 . 6 1 1 A 39 39 LYS C C 39 174.478 174.976 -0.498 1
1 360 . 6 1 1 A 40 40 PRO CA C 40 63.208 62.865 0.343 1
1 361 . 6 1 1 A 40 40 PRO HA H 40 4.440 4.511 -0.071 1
1 362 . 6 1 1 A 40 40 PRO CB C 40 32.147 31.629 0.518 1
1 371 . 6 1 1 A 43 43 PRO CA C 43 63.124 62.253 0.871 1
1 372 . 6 1 1 A 43 43 PRO HA H 43 4.417 4.695 -0.278 1
1 373 . 6 1 1 A 43 43 PRO CB C 43 32.161 29.573 2.588 1
1 382 . 6 1 1 A 45 45 SER CA C 45 58.357 57.537 0.820 1
1 383 . 6 1 1 A 45 45 SER HA H 45 4.478 4.791 -0.313 1
1 384 . 6 1 1 A 45 45 SER CB C 45 63.886 66.850 -2.964 1
1 387 . 6 1 1 A 45 45 SER C C 45 173.890 174.831 -0.941 1
1 1 . 7 1 1 A 10 10 THR CA C 10 62.043 60.653 1.390 1
1 2 . 7 1 1 A 10 10 THR HA H 10 4.275 4.642 -0.367 1
1 3 . 7 1 1 A 10 10 THR CB C 10 69.619 68.614 1.005 1
1 9 . 7 1 1 A 10 10 THR C C 10 174.384 174.011 0.373 1
1 10 . 7 1 1 A 11 11 LYS N N 11 124.060 123.776 0.284 1
1 11 . 7 1 1 A 11 11 LYS H H 11 8.302 7.541 0.761 1
1 12 . 7 1 1 A 11 11 LYS CA C 11 55.798 56.300 -0.502 1
1 13 . 7 1 1 A 11 11 LYS HA H 11 4.240 4.343 -0.103 1
1 14 . 7 1 1 A 11 11 LYS CB C 11 32.582 33.772 -1.190 1
1 25 . 7 1 1 A 11 11 LYS C C 11 175.995 176.761 -0.766 1
1 26 . 7 1 1 A 12 12 SER N N 12 116.110 117.133 -1.023 1
1 27 . 7 1 1 A 12 12 SER H H 12 7.977 8.510 -0.533 1
1 28 . 7 1 1 A 12 12 SER CA C 12 58.636 60.284 -1.648 1
1 29 . 7 1 1 A 12 12 SER HA H 12 4.260 4.431 -0.171 1
1 30 . 7 1 1 A 12 12 SER CB C 12 64.029 63.907 0.122 1
1 33 . 7 1 1 A 12 12 SER C C 12 173.332 174.619 -1.287 1
1 34 . 7 1 1 A 13 13 HIS N N 13 122.195 115.324 6.871 1
1 35 . 7 1 1 A 13 13 HIS H H 13 8.407 7.718 0.689 1
1 36 . 7 1 1 A 13 13 HIS CA C 13 55.603 54.450 1.153 1
1 37 . 7 1 1 A 13 13 HIS HA H 13 4.625 5.239 -0.614 1
1 38 . 7 1 1 A 13 13 HIS CB C 13 31.227 31.204 0.023 1
1 45 . 7 1 1 A 13 13 HIS C C 13 174.550 173.759 0.791 1
1 46 . 7 1 1 A 14 14 GLN N N 14 123.997 124.555 -0.558 1
1 47 . 7 1 1 A 14 14 GLN H H 14 8.662 9.116 -0.454 1
1 48 . 7 1 1 A 14 14 GLN CA C 14 54.912 53.649 1.263 1
1 49 . 7 1 1 A 14 14 GLN HA H 14 4.909 5.389 -0.480 1
1 50 . 7 1 1 A 14 14 GLN CB C 14 31.614 32.224 -0.610 1
1 59 . 7 1 1 A 14 14 GLN C C 14 174.837 175.279 -0.442 1
1 60 . 7 1 1 A 15 15 CYS N N 15 126.364 124.802 1.562 1
1 61 . 7 1 1 A 15 15 CYS H H 15 9.186 8.902 0.284 1
1 62 . 7 1 1 A 15 15 CYS CA C 15 59.390 59.537 -0.147 1
1 63 . 7 1 1 A 15 15 CYS HA H 15 4.532 4.651 -0.119 1
1 64 . 7 1 1 A 15 15 CYS CB C 15 29.575 28.906 0.669 1
1 67 . 7 1 1 A 15 15 CYS C C 15 177.214 174.757 2.457 1
1 68 . 7 1 1 A 16 16 HIS CA C 16 58.476 57.358 1.118 1
1 69 . 7 1 1 A 16 16 HIS HA H 16 4.471 4.631 -0.160 1
1 70 . 7 1 1 A 16 16 HIS CB C 16 29.832 31.776 -1.944 1
1 77 . 7 1 1 A 16 16 HIS C C 16 175.596 176.733 -1.137 1
1 78 . 7 1 1 A 17 17 GLU N N 17 120.837 119.246 1.591 1
1 79 . 7 1 1 A 17 17 GLU H H 17 8.472 8.118 0.354 1
1 80 . 7 1 1 A 17 17 GLU CA C 17 58.401 58.879 -0.478 1
1 81 . 7 1 1 A 17 17 GLU HA H 17 4.121 4.006 0.115 1
1 82 . 7 1 1 A 17 17 GLU CB C 17 29.314 29.278 0.036 1
1 88 . 7 1 1 A 17 17 GLU C C 17 177.130 177.902 -0.772 1
1 89 . 7 1 1 A 18 18 CYS N N 18 114.120 115.065 -0.945 1
1 90 . 7 1 1 A 18 18 CYS H H 18 7.802 7.975 -0.173 1
1 91 . 7 1 1 A 18 18 CYS CA C 18 58.221 59.447 -1.226 1
1 92 . 7 1 1 A 18 18 CYS HA H 18 5.117 4.655 0.462 1
1 93 . 7 1 1 A 18 18 CYS CB C 18 32.389 30.272 2.117 1
1 96 . 7 1 1 A 18 18 CYS C C 18 176.179 175.937 0.242 1
1 97 . 7 1 1 A 19 19 GLY N N 19 113.325 110.621 2.704 1
1 98 . 7 1 1 A 19 19 GLY H H 19 8.099 8.257 -0.158 1
1 99 . 7 1 1 A 19 19 GLY CA C 19 46.177 45.487 0.690 1
1 100 . 7 1 1 A 19 19 GLY HA2 H 19 3.804 3.953 -0.149 1
1 101 . 7 1 1 A 19 19 GLY HA3 H 19 4.212 3.959 0.253 1
1 102 . 7 1 1 A 19 19 GLY C C 19 173.985 174.776 -0.791 1
1 103 . 7 1 1 A 20 20 ARG N N 20 122.410 120.218 2.192 1
1 104 . 7 1 1 A 20 20 ARG H H 20 7.910 7.406 0.504 1
1 105 . 7 1 1 A 20 20 ARG CA C 20 57.691 55.898 1.793 1
1 106 . 7 1 1 A 20 20 ARG HA H 20 3.970 4.289 -0.319 1
1 107 . 7 1 1 A 20 20 ARG CB C 20 31.437 32.016 -0.579 1
1 116 . 7 1 1 A 20 20 ARG C C 20 174.491 175.126 -0.635 1
1 117 . 7 1 1 A 21 21 GLY N N 21 108.663 107.428 1.235 1
1 118 . 7 1 1 A 21 21 GLY H H 21 8.053 8.085 -0.032 1
1 119 . 7 1 1 A 21 21 GLY CA C 21 43.942 44.099 -0.157 1
1 120 . 7 1 1 A 21 21 GLY HA2 H 21 3.349 4.093 -0.744 1
1 121 . 7 1 1 A 21 21 GLY HA3 H 21 4.767 4.180 0.587 1
1 122 . 7 1 1 A 21 21 GLY C C 21 172.522 171.487 1.035 1
1 123 . 7 1 1 A 22 22 PHE N N 22 117.603 123.208 -5.605 1
1 124 . 7 1 1 A 22 22 PHE H H 22 8.383 8.812 -0.429 1
1 125 . 7 1 1 A 22 22 PHE CA C 22 57.190 56.409 0.781 1
1 126 . 7 1 1 A 22 22 PHE HA H 22 4.803 4.916 -0.113 1
1 127 . 7 1 1 A 22 22 PHE CB C 22 43.726 41.861 1.865 1
1 140 . 7 1 1 A 22 22 PHE C C 22 175.623 175.937 -0.314 1
1 141 . 7 1 1 A 23 23 THR CA C 23 64.469 66.905 -2.436 1
1 142 . 7 1 1 A 23 23 THR HA H 23 4.405 4.144 0.261 1
1 143 . 7 1 1 A 23 23 THR CB C 23 69.258 68.843 0.415 1
1 149 . 7 1 1 A 23 23 THR C C 23 174.733 175.435 -0.702 1
1 150 . 7 1 1 A 24 24 LEU N N 24 118.621 119.800 -1.179 1
1 151 . 7 1 1 A 24 24 LEU H H 24 7.397 8.238 -0.841 1
1 152 . 7 1 1 A 24 24 LEU CA C 24 52.956 54.072 -1.116 1
1 153 . 7 1 1 A 24 24 LEU HA H 24 4.672 4.599 0.073 1
1 154 . 7 1 1 A 24 24 LEU CB C 24 44.907 41.914 2.993 1
1 167 . 7 1 1 A 24 24 LEU C C 24 177.120 177.313 -0.193 1
1 168 . 7 1 1 A 25 25 LYS N N 25 125.592 127.635 -2.043 1
1 169 . 7 1 1 A 25 25 LYS H H 25 8.555 8.939 -0.384 1
1 170 . 7 1 1 A 25 25 LYS CA C 25 59.139 59.877 -0.738 1
1 171 . 7 1 1 A 25 25 LYS HA H 25 3.201 3.412 -0.211 1
1 172 . 7 1 1 A 25 25 LYS CB C 25 31.829 31.727 0.102 1
1 184 . 7 1 1 A 25 25 LYS C C 25 178.110 177.909 0.201 1
1 185 . 7 1 1 A 26 26 SER CA C 26 60.759 61.267 -0.508 1
1 186 . 7 1 1 A 26 26 SER HA H 26 4.034 4.130 -0.096 1
1 187 . 7 1 1 A 26 26 SER CB C 26 61.446 62.351 -0.905 1
1 190 . 7 1 1 A 26 26 SER C C 26 177.426 177.084 0.342 1
1 191 . 7 1 1 A 27 27 HIS N N 27 121.342 118.621 2.721 1
1 192 . 7 1 1 A 27 27 HIS H H 27 6.706 8.145 -1.439 1
1 193 . 7 1 1 A 27 27 HIS CA C 27 57.237 59.234 -1.997 1
1 194 . 7 1 1 A 27 27 HIS HA H 27 4.420 4.147 0.273 1
1 195 . 7 1 1 A 27 27 HIS CB C 27 31.574 30.019 1.555 1
1 202 . 7 1 1 A 27 27 HIS C C 27 178.457 177.078 1.379 1
1 203 . 7 1 1 A 28 28 LEU N N 28 122.540 119.976 2.564 1
1 204 . 7 1 1 A 28 28 LEU H H 28 7.190 7.614 -0.424 1
1 205 . 7 1 1 A 28 28 LEU CA C 28 57.976 57.858 0.118 1
1 206 . 7 1 1 A 28 28 LEU HA H 28 3.191 2.327 0.864 1
1 207 . 7 1 1 A 28 28 LEU CB C 28 40.034 41.505 -1.471 1
1 220 . 7 1 1 A 28 28 LEU C C 28 177.619 178.112 -0.493 1
1 221 . 7 1 1 A 29 29 ASN N N 29 117.886 116.135 1.751 1
1 222 . 7 1 1 A 29 29 ASN H H 29 8.500 8.199 0.301 1
1 223 . 7 1 1 A 29 29 ASN CA C 29 56.124 56.477 -0.353 1
1 224 . 7 1 1 A 29 29 ASN HA H 29 4.427 4.371 0.056 1
1 225 . 7 1 1 A 29 29 ASN CB C 29 37.934 37.923 0.011 1
1 231 . 7 1 1 A 29 29 ASN C C 29 178.015 177.901 0.114 1
1 232 . 7 1 1 A 30 30 GLN N N 30 118.146 120.146 -2.000 1
1 233 . 7 1 1 A 30 30 GLN H H 30 7.682 7.962 -0.280 1
1 234 . 7 1 1 A 30 30 GLN CA C 30 58.640 58.697 -0.057 1
1 235 . 7 1 1 A 30 30 GLN HA H 30 3.961 3.868 0.093 1
1 236 . 7 1 1 A 30 30 GLN CB C 30 28.485 28.144 0.341 1
1 245 . 7 1 1 A 30 30 GLN C C 30 178.333 178.097 0.236 1
1 246 . 7 1 1 A 31 31 HIS N N 31 119.699 119.648 0.051 1
1 247 . 7 1 1 A 31 31 HIS H H 31 7.693 8.208 -0.515 1
1 248 . 7 1 1 A 31 31 HIS CA C 31 58.923 59.465 -0.542 1
1 249 . 7 1 1 A 31 31 HIS HA H 31 4.181 4.150 0.031 1
1 250 . 7 1 1 A 31 31 HIS CB C 31 28.433 29.750 -1.317 1
1 257 . 7 1 1 A 31 31 HIS C C 31 176.132 176.786 -0.654 1
1 258 . 7 1 1 A 32 32 GLN N N 32 115.052 117.184 -2.132 1
1 259 . 7 1 1 A 32 32 GLN H H 32 8.305 8.652 -0.347 1
1 260 . 7 1 1 A 32 32 GLN CA C 32 59.218 59.135 0.083 1
1 261 . 7 1 1 A 32 32 GLN HA H 32 3.660 3.790 -0.130 1
1 262 . 7 1 1 A 32 32 GLN CB C 32 28.322 28.379 -0.057 1
1 271 . 7 1 1 A 32 32 GLN C C 32 177.230 178.503 -1.273 1
1 272 . 7 1 1 A 33 33 ARG N N 33 117.232 119.824 -2.592 1
1 273 . 7 1 1 A 33 33 ARG H H 33 7.068 7.950 -0.882 1
1 274 . 7 1 1 A 33 33 ARG CA C 33 58.313 58.972 -0.659 1
1 275 . 7 1 1 A 33 33 ARG HA H 33 4.101 4.028 0.073 1
1 276 . 7 1 1 A 33 33 ARG CB C 33 29.942 29.814 0.128 1
1 285 . 7 1 1 A 33 33 ARG C C 33 178.473 178.963 -0.490 1
1 286 . 7 1 1 A 34 34 ILE N N 34 116.070 118.115 -2.045 1
1 287 . 7 1 1 A 34 34 ILE H H 34 7.787 7.934 -0.147 1
1 288 . 7 1 1 A 34 34 ILE CA C 34 62.914 64.204 -1.290 1
1 289 . 7 1 1 A 34 34 ILE HA H 34 3.973 3.720 0.253 1
1 290 . 7 1 1 A 34 34 ILE CB C 34 37.629 37.294 0.335 1
1 303 . 7 1 1 A 34 34 ILE C C 34 177.355 177.283 0.072 1
1 304 . 7 1 1 A 35 35 HIS N N 35 117.906 119.789 -1.883 1
1 305 . 7 1 1 A 35 35 HIS H H 35 7.208 7.327 -0.119 1
1 306 . 7 1 1 A 35 35 HIS CA C 35 55.220 58.981 -3.761 1
1 307 . 7 1 1 A 35 35 HIS HA H 35 4.832 4.401 0.431 1
1 308 . 7 1 1 A 35 35 HIS CB C 35 28.533 31.246 -2.713 1
1 315 . 7 1 1 A 35 35 HIS C C 35 175.765 174.947 0.818 1
1 316 . 7 1 1 A 36 36 THR N N 36 111.781 113.389 -1.608 1
1 317 . 7 1 1 A 36 36 THR H H 36 7.764 7.956 -0.192 1
1 318 . 7 1 1 A 36 36 THR CA C 36 62.457 60.907 1.550 1
1 319 . 7 1 1 A 36 36 THR HA H 36 4.330 4.533 -0.203 1
1 320 . 7 1 1 A 36 36 THR CB C 36 69.813 70.425 -0.612 1
1 326 . 7 1 1 A 36 36 THR C C 36 175.440 174.791 0.649 1
1 327 . 7 1 1 A 37 37 GLY N N 37 110.636 113.639 -3.003 1
1 328 . 7 1 1 A 37 37 GLY H H 37 8.211 8.241 -0.030 1
1 329 . 7 1 1 A 37 37 GLY CA C 37 45.325 45.791 -0.466 1
1 330 . 7 1 1 A 37 37 GLY HA2 H 37 3.923 4.021 -0.098 1
1 331 . 7 1 1 A 37 37 GLY HA3 H 37 4.004 4.024 -0.020 1
1 332 . 7 1 1 A 37 37 GLY C C 37 174.040 174.047 -0.007 1
1 333 . 7 1 1 A 38 38 GLU N N 38 120.567 123.505 -2.938 1
1 334 . 7 1 1 A 38 38 GLU H H 38 8.073 8.375 -0.302 1
1 335 . 7 1 1 A 38 38 GLU CA C 38 56.418 55.145 1.273 1
1 336 . 7 1 1 A 38 38 GLU HA H 38 4.217 4.583 -0.366 1
1 337 . 7 1 1 A 38 38 GLU CB C 38 30.522 30.248 0.274 1
1 343 . 7 1 1 A 38 38 GLU C C 38 176.215 176.001 0.214 1
1 344 . 7 1 1 A 39 39 LYS N N 39 123.787 125.246 -1.459 1
1 345 . 7 1 1 A 39 39 LYS H H 39 8.387 8.503 -0.116 1
1 346 . 7 1 1 A 39 39 LYS CA C 39 54.102 55.466 -1.364 1
1 347 . 7 1 1 A 39 39 LYS HA H 39 4.575 4.277 0.298 1
1 348 . 7 1 1 A 39 39 LYS CB C 39 32.422 32.543 -0.121 1
1 359 . 7 1 1 A 39 39 LYS C C 39 174.478 176.242 -1.764 1
1 360 . 7 1 1 A 40 40 PRO CA C 40 63.208 62.534 0.674 1
1 361 . 7 1 1 A 40 40 PRO HA H 40 4.440 4.433 0.007 1
1 362 . 7 1 1 A 40 40 PRO CB C 40 32.147 32.591 -0.444 1
1 371 . 7 1 1 A 43 43 PRO CA C 43 63.124 64.547 -1.423 1
1 372 . 7 1 1 A 43 43 PRO HA H 43 4.417 4.361 0.056 1
1 373 . 7 1 1 A 43 43 PRO CB C 43 32.161 31.849 0.312 1
1 382 . 7 1 1 A 45 45 SER CA C 45 58.357 57.329 1.028 1
1 383 . 7 1 1 A 45 45 SER HA H 45 4.478 4.849 -0.371 1
1 384 . 7 1 1 A 45 45 SER CB C 45 63.886 64.886 -1.000 1
1 387 . 7 1 1 A 45 45 SER C C 45 173.890 173.871 0.019 1
1 1 . 8 1 1 A 10 10 THR CA C 10 62.043 61.842 0.201 1
1 2 . 8 1 1 A 10 10 THR HA H 10 4.275 4.741 -0.466 1
1 3 . 8 1 1 A 10 10 THR CB C 10 69.619 67.806 1.813 1
1 9 . 8 1 1 A 10 10 THR C C 10 174.384 173.088 1.296 1
1 10 . 8 1 1 A 11 11 LYS N N 11 124.060 127.941 -3.881 1
1 11 . 8 1 1 A 11 11 LYS H H 11 8.302 8.230 0.072 1
1 12 . 8 1 1 A 11 11 LYS CA C 11 55.798 54.285 1.513 1
1 13 . 8 1 1 A 11 11 LYS HA H 11 4.240 4.834 -0.594 1
1 14 . 8 1 1 A 11 11 LYS CB C 11 32.582 35.471 -2.889 1
1 25 . 8 1 1 A 11 11 LYS C C 11 175.995 176.122 -0.127 1
1 26 . 8 1 1 A 12 12 SER N N 12 116.110 119.423 -3.313 1
1 27 . 8 1 1 A 12 12 SER H H 12 7.977 8.658 -0.681 1
1 28 . 8 1 1 A 12 12 SER CA C 12 58.636 62.077 -3.441 1
1 29 . 8 1 1 A 12 12 SER HA H 12 4.260 4.238 0.022 1
1 30 . 8 1 1 A 12 12 SER CB C 12 64.029 63.401 0.628 1
1 33 . 8 1 1 A 12 12 SER C C 12 173.332 174.655 -1.323 1
1 34 . 8 1 1 A 13 13 HIS N N 13 122.195 116.360 5.835 1
1 35 . 8 1 1 A 13 13 HIS H H 13 8.407 7.813 0.594 1
1 36 . 8 1 1 A 13 13 HIS CA C 13 55.603 54.352 1.251 1
1 37 . 8 1 1 A 13 13 HIS HA H 13 4.625 5.084 -0.459 1
1 38 . 8 1 1 A 13 13 HIS CB C 13 31.227 30.294 0.933 1
1 45 . 8 1 1 A 13 13 HIS C C 13 174.550 173.660 0.890 1
1 46 . 8 1 1 A 14 14 GLN N N 14 123.997 125.041 -1.044 1
1 47 . 8 1 1 A 14 14 GLN H H 14 8.662 9.085 -0.423 1
1 48 . 8 1 1 A 14 14 GLN CA C 14 54.912 53.865 1.047 1
1 49 . 8 1 1 A 14 14 GLN HA H 14 4.909 5.449 -0.540 1
1 50 . 8 1 1 A 14 14 GLN CB C 14 31.614 32.153 -0.539 1
1 59 . 8 1 1 A 14 14 GLN C C 14 174.837 175.559 -0.722 1
1 60 . 8 1 1 A 15 15 CYS N N 15 126.364 125.160 1.204 1
1 61 . 8 1 1 A 15 15 CYS H H 15 9.186 9.061 0.125 1
1 62 . 8 1 1 A 15 15 CYS CA C 15 59.390 59.697 -0.307 1
1 63 . 8 1 1 A 15 15 CYS HA H 15 4.532 4.818 -0.286 1
1 64 . 8 1 1 A 15 15 CYS CB C 15 29.575 29.042 0.533 1
1 67 . 8 1 1 A 15 15 CYS C C 15 177.214 174.808 2.406 1
1 68 . 8 1 1 A 16 16 HIS CA C 16 58.476 57.900 0.576 1
1 69 . 8 1 1 A 16 16 HIS HA H 16 4.471 4.640 -0.169 1
1 70 . 8 1 1 A 16 16 HIS CB C 16 29.832 31.313 -1.481 1
1 77 . 8 1 1 A 16 16 HIS C C 16 175.596 177.200 -1.604 1
1 78 . 8 1 1 A 17 17 GLU N N 17 120.837 118.617 2.220 1
1 79 . 8 1 1 A 17 17 GLU H H 17 8.472 8.067 0.405 1
1 80 . 8 1 1 A 17 17 GLU CA C 17 58.401 58.937 -0.536 1
1 81 . 8 1 1 A 17 17 GLU HA H 17 4.121 4.048 0.073 1
1 82 . 8 1 1 A 17 17 GLU CB C 17 29.314 29.135 0.179 1
1 88 . 8 1 1 A 17 17 GLU C C 17 177.130 177.914 -0.784 1
1 89 . 8 1 1 A 18 18 CYS N N 18 114.120 115.061 -0.941 1
1 90 . 8 1 1 A 18 18 CYS H H 18 7.802 7.944 -0.142 1
1 91 . 8 1 1 A 18 18 CYS CA C 18 58.221 59.453 -1.232 1
1 92 . 8 1 1 A 18 18 CYS HA H 18 5.117 4.654 0.463 1
1 93 . 8 1 1 A 18 18 CYS CB C 18 32.389 30.126 2.263 1
1 96 . 8 1 1 A 18 18 CYS C C 18 176.179 175.788 0.391 1
1 97 . 8 1 1 A 19 19 GLY N N 19 113.325 110.606 2.719 1
1 98 . 8 1 1 A 19 19 GLY H H 19 8.099 8.273 -0.174 1
1 99 . 8 1 1 A 19 19 GLY CA C 19 46.177 45.441 0.736 1
1 100 . 8 1 1 A 19 19 GLY HA2 H 19 3.804 3.959 -0.155 1
1 101 . 8 1 1 A 19 19 GLY HA3 H 19 4.212 3.973 0.239 1
1 102 . 8 1 1 A 19 19 GLY C C 19 173.985 174.666 -0.681 1
1 103 . 8 1 1 A 20 20 ARG N N 20 122.410 120.085 2.325 1
1 104 . 8 1 1 A 20 20 ARG H H 20 7.910 7.323 0.587 1
1 105 . 8 1 1 A 20 20 ARG CA C 20 57.691 55.799 1.892 1
1 106 . 8 1 1 A 20 20 ARG HA H 20 3.970 4.314 -0.344 1
1 107 . 8 1 1 A 20 20 ARG CB C 20 31.437 31.944 -0.507 1
1 116 . 8 1 1 A 20 20 ARG C C 20 174.491 175.253 -0.762 1
1 117 . 8 1 1 A 21 21 GLY N N 21 108.663 107.494 1.169 1
1 118 . 8 1 1 A 21 21 GLY H H 21 8.053 8.184 -0.131 1
1 119 . 8 1 1 A 21 21 GLY CA C 21 43.942 44.046 -0.104 1
1 120 . 8 1 1 A 21 21 GLY HA2 H 21 3.349 4.091 -0.742 1
1 121 . 8 1 1 A 21 21 GLY HA3 H 21 4.767 4.172 0.595 1
1 122 . 8 1 1 A 21 21 GLY C C 21 172.522 171.562 0.960 1
1 123 . 8 1 1 A 22 22 PHE N N 22 117.603 122.693 -5.090 1
1 124 . 8 1 1 A 22 22 PHE H H 22 8.383 8.793 -0.410 1
1 125 . 8 1 1 A 22 22 PHE CA C 22 57.190 56.415 0.775 1
1 126 . 8 1 1 A 22 22 PHE HA H 22 4.803 4.906 -0.103 1
1 127 . 8 1 1 A 22 22 PHE CB C 22 43.726 42.741 0.985 1
1 140 . 8 1 1 A 22 22 PHE C C 22 175.623 175.835 -0.212 1
1 141 . 8 1 1 A 23 23 THR CA C 23 64.469 66.178 -1.709 1
1 142 . 8 1 1 A 23 23 THR HA H 23 4.405 4.397 0.008 1
1 143 . 8 1 1 A 23 23 THR CB C 23 69.258 69.180 0.078 1
1 149 . 8 1 1 A 23 23 THR C C 23 174.733 175.194 -0.461 1
1 150 . 8 1 1 A 24 24 LEU N N 24 118.621 119.665 -1.044 1
1 151 . 8 1 1 A 24 24 LEU H H 24 7.397 8.309 -0.912 1
1 152 . 8 1 1 A 24 24 LEU CA C 24 52.956 54.034 -1.078 1
1 153 . 8 1 1 A 24 24 LEU HA H 24 4.672 4.567 0.105 1
1 154 . 8 1 1 A 24 24 LEU CB C 24 44.907 42.310 2.597 1
1 167 . 8 1 1 A 24 24 LEU C C 24 177.120 177.103 0.017 1
1 168 . 8 1 1 A 25 25 LYS N N 25 125.592 126.677 -1.085 1
1 169 . 8 1 1 A 25 25 LYS H H 25 8.555 8.697 -0.142 1
1 170 . 8 1 1 A 25 25 LYS CA C 25 59.139 59.561 -0.422 1
1 171 . 8 1 1 A 25 25 LYS HA H 25 3.201 2.984 0.217 1
1 172 . 8 1 1 A 25 25 LYS CB C 25 31.829 31.419 0.410 1
1 184 . 8 1 1 A 25 25 LYS C C 25 178.110 177.877 0.233 1
1 185 . 8 1 1 A 26 26 SER CA C 26 60.759 61.153 -0.394 1
1 186 . 8 1 1 A 26 26 SER HA H 26 4.034 4.076 -0.042 1
1 187 . 8 1 1 A 26 26 SER CB C 26 61.446 62.035 -0.589 1
1 190 . 8 1 1 A 26 26 SER C C 26 177.426 177.045 0.381 1
1 191 . 8 1 1 A 27 27 HIS N N 27 121.342 118.655 2.687 1
1 192 . 8 1 1 A 27 27 HIS H H 27 6.706 7.846 -1.140 1
1 193 . 8 1 1 A 27 27 HIS CA C 27 57.237 58.886 -1.649 1
1 194 . 8 1 1 A 27 27 HIS HA H 27 4.420 4.108 0.312 1
1 195 . 8 1 1 A 27 27 HIS CB C 27 31.574 29.980 1.594 1
1 202 . 8 1 1 A 27 27 HIS C C 27 178.457 177.012 1.445 1
1 203 . 8 1 1 A 28 28 LEU N N 28 122.540 120.152 2.388 1
1 204 . 8 1 1 A 28 28 LEU H H 28 7.190 7.520 -0.330 1
1 205 . 8 1 1 A 28 28 LEU CA C 28 57.976 57.993 -0.017 1
1 206 . 8 1 1 A 28 28 LEU HA H 28 3.191 2.756 0.435 1
1 207 . 8 1 1 A 28 28 LEU CB C 28 40.034 41.601 -1.567 1
1 220 . 8 1 1 A 28 28 LEU C C 28 177.619 178.247 -0.628 1
1 221 . 8 1 1 A 29 29 ASN N N 29 117.886 115.981 1.905 1
1 222 . 8 1 1 A 29 29 ASN H H 29 8.500 8.266 0.234 1
1 223 . 8 1 1 A 29 29 ASN CA C 29 56.124 56.445 -0.321 1
1 224 . 8 1 1 A 29 29 ASN HA H 29 4.427 4.407 0.020 1
1 225 . 8 1 1 A 29 29 ASN CB C 29 37.934 37.998 -0.064 1
1 231 . 8 1 1 A 29 29 ASN C C 29 178.015 177.847 0.168 1
1 232 . 8 1 1 A 30 30 GLN N N 30 118.146 120.226 -2.080 1
1 233 . 8 1 1 A 30 30 GLN H H 30 7.682 8.079 -0.397 1
1 234 . 8 1 1 A 30 30 GLN CA C 30 58.640 58.605 0.035 1
1 235 . 8 1 1 A 30 30 GLN HA H 30 3.961 3.891 0.070 1
1 236 . 8 1 1 A 30 30 GLN CB C 30 28.485 28.138 0.347 1
1 245 . 8 1 1 A 30 30 GLN C C 30 178.333 178.201 0.132 1
1 246 . 8 1 1 A 31 31 HIS N N 31 119.699 119.587 0.112 1
1 247 . 8 1 1 A 31 31 HIS H H 31 7.693 8.391 -0.698 1
1 248 . 8 1 1 A 31 31 HIS CA C 31 58.923 59.980 -1.057 1
1 249 . 8 1 1 A 31 31 HIS HA H 31 4.181 4.131 0.050 1
1 250 . 8 1 1 A 31 31 HIS CB C 31 28.433 29.207 -0.774 1
1 257 . 8 1 1 A 31 31 HIS C C 31 176.132 177.036 -0.904 1
1 258 . 8 1 1 A 32 32 GLN N N 32 115.052 117.293 -2.241 1
1 259 . 8 1 1 A 32 32 GLN H H 32 8.305 8.512 -0.207 1
1 260 . 8 1 1 A 32 32 GLN CA C 32 59.218 58.935 0.283 1
1 261 . 8 1 1 A 32 32 GLN HA H 32 3.660 3.985 -0.325 1
1 262 . 8 1 1 A 32 32 GLN CB C 32 28.322 28.350 -0.028 1
1 271 . 8 1 1 A 32 32 GLN C C 32 177.230 178.681 -1.451 1
1 272 . 8 1 1 A 33 33 ARG N N 33 117.232 119.242 -2.010 1
1 273 . 8 1 1 A 33 33 ARG H H 33 7.068 7.788 -0.720 1
1 274 . 8 1 1 A 33 33 ARG CA C 33 58.313 58.791 -0.478 1
1 275 . 8 1 1 A 33 33 ARG HA H 33 4.101 4.035 0.066 1
1 276 . 8 1 1 A 33 33 ARG CB C 33 29.942 29.907 0.035 1
1 285 . 8 1 1 A 33 33 ARG C C 33 178.473 179.060 -0.587 1
1 286 . 8 1 1 A 34 34 ILE N N 34 116.070 115.966 0.104 1
1 287 . 8 1 1 A 34 34 ILE H H 34 7.787 7.895 -0.108 1
1 288 . 8 1 1 A 34 34 ILE CA C 34 62.914 62.946 -0.032 1
1 289 . 8 1 1 A 34 34 ILE HA H 34 3.973 3.846 0.127 1
1 290 . 8 1 1 A 34 34 ILE CB C 34 37.629 37.138 0.491 1
1 303 . 8 1 1 A 34 34 ILE C C 34 177.355 176.286 1.069 1
1 304 . 8 1 1 A 35 35 HIS N N 35 117.906 119.579 -1.673 1
1 305 . 8 1 1 A 35 35 HIS H H 35 7.208 7.645 -0.437 1
1 306 . 8 1 1 A 35 35 HIS CA C 35 55.220 55.421 -0.201 1
1 307 . 8 1 1 A 35 35 HIS HA H 35 4.832 4.763 0.069 1
1 308 . 8 1 1 A 35 35 HIS CB C 35 28.533 29.780 -1.247 1
1 315 . 8 1 1 A 35 35 HIS C C 35 175.765 175.336 0.429 1
1 316 . 8 1 1 A 36 36 THR N N 36 111.781 110.859 0.922 1
1 317 . 8 1 1 A 36 36 THR H H 36 7.764 7.711 0.053 1
1 318 . 8 1 1 A 36 36 THR CA C 36 62.457 62.560 -0.103 1
1 319 . 8 1 1 A 36 36 THR HA H 36 4.330 4.400 -0.070 1
1 320 . 8 1 1 A 36 36 THR CB C 36 69.813 70.198 -0.385 1
1 326 . 8 1 1 A 36 36 THR C C 36 175.440 176.447 -1.007 1
1 327 . 8 1 1 A 37 37 GLY N N 37 110.636 111.074 -0.438 1
1 328 . 8 1 1 A 37 37 GLY H H 37 8.211 8.203 0.008 1
1 329 . 8 1 1 A 37 37 GLY CA C 37 45.325 47.069 -1.744 1
1 330 . 8 1 1 A 37 37 GLY HA2 H 37 3.923 3.663 0.260 1
1 331 . 8 1 1 A 37 37 GLY HA3 H 37 4.004 3.668 0.336 1
1 332 . 8 1 1 A 37 37 GLY C C 37 174.040 174.710 -0.670 1
1 333 . 8 1 1 A 38 38 GLU N N 38 120.567 119.301 1.266 1
1 334 . 8 1 1 A 38 38 GLU H H 38 8.073 8.558 -0.485 1
1 335 . 8 1 1 A 38 38 GLU CA C 38 56.418 56.660 -0.242 1
1 336 . 8 1 1 A 38 38 GLU HA H 38 4.217 4.256 -0.039 1
1 337 . 8 1 1 A 38 38 GLU CB C 38 30.522 29.421 1.101 1
1 343 . 8 1 1 A 38 38 GLU C C 38 176.215 176.290 -0.075 1
1 344 . 8 1 1 A 39 39 LYS N N 39 123.787 126.055 -2.268 1
1 345 . 8 1 1 A 39 39 LYS H H 39 8.387 8.438 -0.051 1
1 346 . 8 1 1 A 39 39 LYS CA C 39 54.102 53.782 0.320 1
1 347 . 8 1 1 A 39 39 LYS HA H 39 4.575 5.016 -0.441 1
1 348 . 8 1 1 A 39 39 LYS CB C 39 32.422 32.807 -0.385 1
1 359 . 8 1 1 A 39 39 LYS C C 39 174.478 175.202 -0.724 1
1 360 . 8 1 1 A 40 40 PRO CA C 40 63.208 64.809 -1.601 1
1 361 . 8 1 1 A 40 40 PRO HA H 40 4.440 4.416 0.024 1
1 362 . 8 1 1 A 40 40 PRO CB C 40 32.147 32.132 0.015 1
1 371 . 8 1 1 A 43 43 PRO CA C 43 63.124 62.653 0.471 1
1 372 . 8 1 1 A 43 43 PRO HA H 43 4.417 4.617 -0.200 1
1 373 . 8 1 1 A 43 43 PRO CB C 43 32.161 31.620 0.541 1
1 382 . 8 1 1 A 45 45 SER CA C 45 58.357 59.516 -1.159 1
1 383 . 8 1 1 A 45 45 SER HA H 45 4.478 4.201 0.277 1
1 384 . 8 1 1 A 45 45 SER CB C 45 63.886 61.891 1.995 1
1 387 . 8 1 1 A 45 45 SER C C 45 173.890 174.550 -0.660 1
1 1 . 9 1 1 A 10 10 THR CA C 10 62.043 60.064 1.979 1
1 2 . 9 1 1 A 10 10 THR HA H 10 4.275 5.065 -0.790 1
1 3 . 9 1 1 A 10 10 THR CB C 10 69.619 72.212 -2.593 1
1 9 . 9 1 1 A 10 10 THR C C 10 174.384 171.687 2.697 1
1 10 . 9 1 1 A 11 11 LYS N N 11 124.060 128.375 -4.315 1
1 11 . 9 1 1 A 11 11 LYS H H 11 8.302 8.815 -0.513 1
1 12 . 9 1 1 A 11 11 LYS CA C 11 55.798 54.068 1.730 1
1 13 . 9 1 1 A 11 11 LYS HA H 11 4.240 4.893 -0.653 1
1 14 . 9 1 1 A 11 11 LYS CB C 11 32.582 35.246 -2.664 1
1 25 . 9 1 1 A 11 11 LYS C C 11 175.995 176.639 -0.644 1
1 26 . 9 1 1 A 12 12 SER N N 12 116.110 117.059 -0.949 1
1 27 . 9 1 1 A 12 12 SER H H 12 7.977 8.630 -0.653 1
1 28 . 9 1 1 A 12 12 SER CA C 12 58.636 62.013 -3.377 1
1 29 . 9 1 1 A 12 12 SER HA H 12 4.260 4.250 0.010 1
1 30 . 9 1 1 A 12 12 SER CB C 12 64.029 63.338 0.691 1
1 33 . 9 1 1 A 12 12 SER C C 12 173.332 174.301 -0.969 1
1 34 . 9 1 1 A 13 13 HIS N N 13 122.195 115.910 6.285 1
1 35 . 9 1 1 A 13 13 HIS H H 13 8.407 7.970 0.437 1
1 36 . 9 1 1 A 13 13 HIS CA C 13 55.603 54.376 1.227 1
1 37 . 9 1 1 A 13 13 HIS HA H 13 4.625 5.121 -0.496 1
1 38 . 9 1 1 A 13 13 HIS CB C 13 31.227 30.800 0.427 1
1 45 . 9 1 1 A 13 13 HIS C C 13 174.550 173.779 0.771 1
1 46 . 9 1 1 A 14 14 GLN N N 14 123.997 124.911 -0.914 1
1 47 . 9 1 1 A 14 14 GLN H H 14 8.662 9.223 -0.561 1
1 48 . 9 1 1 A 14 14 GLN CA C 14 54.912 53.806 1.106 1
1 49 . 9 1 1 A 14 14 GLN HA H 14 4.909 5.430 -0.521 1
1 50 . 9 1 1 A 14 14 GLN CB C 14 31.614 32.260 -0.646 1
1 59 . 9 1 1 A 14 14 GLN C C 14 174.837 175.538 -0.701 1
1 60 . 9 1 1 A 15 15 CYS N N 15 126.364 125.299 1.065 1
1 61 . 9 1 1 A 15 15 CYS H H 15 9.186 8.978 0.208 1
1 62 . 9 1 1 A 15 15 CYS CA C 15 59.390 59.691 -0.301 1
1 63 . 9 1 1 A 15 15 CYS HA H 15 4.532 4.805 -0.273 1
1 64 . 9 1 1 A 15 15 CYS CB C 15 29.575 28.990 0.585 1
1 67 . 9 1 1 A 15 15 CYS C C 15 177.214 174.778 2.436 1
1 68 . 9 1 1 A 16 16 HIS CA C 16 58.476 58.027 0.449 1
1 69 . 9 1 1 A 16 16 HIS HA H 16 4.471 4.643 -0.172 1
1 70 . 9 1 1 A 16 16 HIS CB C 16 29.832 31.115 -1.283 1
1 77 . 9 1 1 A 16 16 HIS C C 16 175.596 177.139 -1.543 1
1 78 . 9 1 1 A 17 17 GLU N N 17 120.837 118.333 2.504 1
1 79 . 9 1 1 A 17 17 GLU H H 17 8.472 8.099 0.373 1
1 80 . 9 1 1 A 17 17 GLU CA C 17 58.401 58.897 -0.496 1
1 81 . 9 1 1 A 17 17 GLU HA H 17 4.121 3.863 0.258 1
1 82 . 9 1 1 A 17 17 GLU CB C 17 29.314 29.086 0.228 1
1 88 . 9 1 1 A 17 17 GLU C C 17 177.130 177.853 -0.723 1
1 89 . 9 1 1 A 18 18 CYS N N 18 114.120 114.839 -0.719 1
1 90 . 9 1 1 A 18 18 CYS H H 18 7.802 7.830 -0.028 1
1 91 . 9 1 1 A 18 18 CYS CA C 18 58.221 59.272 -1.051 1
1 92 . 9 1 1 A 18 18 CYS HA H 18 5.117 4.649 0.468 1
1 93 . 9 1 1 A 18 18 CYS CB C 18 32.389 30.358 2.031 1
1 96 . 9 1 1 A 18 18 CYS C C 18 176.179 175.835 0.344 1
1 97 . 9 1 1 A 19 19 GLY N N 19 113.325 110.580 2.745 1
1 98 . 9 1 1 A 19 19 GLY H H 19 8.099 8.234 -0.135 1
1 99 . 9 1 1 A 19 19 GLY CA C 19 46.177 45.421 0.756 1
1 100 . 9 1 1 A 19 19 GLY HA2 H 19 3.804 3.954 -0.150 1
1 101 . 9 1 1 A 19 19 GLY HA3 H 19 4.212 3.984 0.228 1
1 102 . 9 1 1 A 19 19 GLY C C 19 173.985 174.663 -0.678 1
1 103 . 9 1 1 A 20 20 ARG N N 20 122.410 120.065 2.345 1
1 104 . 9 1 1 A 20 20 ARG H H 20 7.910 7.294 0.616 1
1 105 . 9 1 1 A 20 20 ARG CA C 20 57.691 55.833 1.858 1
1 106 . 9 1 1 A 20 20 ARG HA H 20 3.970 4.292 -0.322 1
1 107 . 9 1 1 A 20 20 ARG CB C 20 31.437 31.907 -0.470 1
1 116 . 9 1 1 A 20 20 ARG C C 20 174.491 175.193 -0.702 1
1 117 . 9 1 1 A 21 21 GLY N N 21 108.663 107.341 1.322 1
1 118 . 9 1 1 A 21 21 GLY H H 21 8.053 8.189 -0.136 1
1 119 . 9 1 1 A 21 21 GLY CA C 21 43.942 44.048 -0.106 1
1 120 . 9 1 1 A 21 21 GLY HA2 H 21 3.349 4.096 -0.747 1
1 121 . 9 1 1 A 21 21 GLY HA3 H 21 4.767 4.173 0.594 1
1 122 . 9 1 1 A 21 21 GLY C C 21 172.522 171.519 1.003 1
1 123 . 9 1 1 A 22 22 PHE N N 22 117.603 123.459 -5.856 1
1 124 . 9 1 1 A 22 22 PHE H H 22 8.383 8.676 -0.293 1
1 125 . 9 1 1 A 22 22 PHE CA C 22 57.190 56.413 0.777 1
1 126 . 9 1 1 A 22 22 PHE HA H 22 4.803 5.026 -0.223 1
1 127 . 9 1 1 A 22 22 PHE CB C 22 43.726 41.839 1.887 1
1 140 . 9 1 1 A 22 22 PHE C C 22 175.623 176.055 -0.432 1
1 141 . 9 1 1 A 23 23 THR CA C 23 64.469 66.952 -2.483 1
1 142 . 9 1 1 A 23 23 THR HA H 23 4.405 4.050 0.355 1
1 143 . 9 1 1 A 23 23 THR CB C 23 69.258 69.121 0.137 1
1 149 . 9 1 1 A 23 23 THR C C 23 174.733 175.457 -0.724 1
1 150 . 9 1 1 A 24 24 LEU N N 24 118.621 119.922 -1.301 1
1 151 . 9 1 1 A 24 24 LEU H H 24 7.397 8.053 -0.656 1
1 152 . 9 1 1 A 24 24 LEU CA C 24 52.956 54.327 -1.371 1
1 153 . 9 1 1 A 24 24 LEU HA H 24 4.672 4.510 0.162 1
1 154 . 9 1 1 A 24 24 LEU CB C 24 44.907 42.383 2.524 1
1 167 . 9 1 1 A 24 24 LEU C C 24 177.120 177.626 -0.506 1
1 168 . 9 1 1 A 25 25 LYS N N 25 125.592 124.657 0.935 1
1 169 . 9 1 1 A 25 25 LYS H H 25 8.555 8.890 -0.335 1
1 170 . 9 1 1 A 25 25 LYS CA C 25 59.139 59.736 -0.597 1
1 171 . 9 1 1 A 25 25 LYS HA H 25 3.201 3.287 -0.086 1
1 172 . 9 1 1 A 25 25 LYS CB C 25 31.829 31.547 0.282 1
1 184 . 9 1 1 A 25 25 LYS C C 25 178.110 177.981 0.129 1
1 185 . 9 1 1 A 26 26 SER CA C 26 60.759 61.316 -0.557 1
1 186 . 9 1 1 A 26 26 SER HA H 26 4.034 4.102 -0.068 1
1 187 . 9 1 1 A 26 26 SER CB C 26 61.446 62.267 -0.821 1
1 190 . 9 1 1 A 26 26 SER C C 26 177.426 177.210 0.216 1
1 191 . 9 1 1 A 27 27 HIS N N 27 121.342 119.209 2.133 1
1 192 . 9 1 1 A 27 27 HIS H H 27 6.706 7.851 -1.145 1
1 193 . 9 1 1 A 27 27 HIS CA C 27 57.237 58.774 -1.537 1
1 194 . 9 1 1 A 27 27 HIS HA H 27 4.420 4.288 0.132 1
1 195 . 9 1 1 A 27 27 HIS CB C 27 31.574 30.243 1.331 1
1 202 . 9 1 1 A 27 27 HIS C C 27 178.457 177.092 1.365 1
1 203 . 9 1 1 A 28 28 LEU N N 28 122.540 120.395 2.145 1
1 204 . 9 1 1 A 28 28 LEU H H 28 7.190 7.500 -0.310 1
1 205 . 9 1 1 A 28 28 LEU CA C 28 57.976 57.878 0.098 1
1 206 . 9 1 1 A 28 28 LEU HA H 28 3.191 2.584 0.607 1
1 207 . 9 1 1 A 28 28 LEU CB C 28 40.034 41.488 -1.454 1
1 220 . 9 1 1 A 28 28 LEU C C 28 177.619 178.086 -0.467 1
1 221 . 9 1 1 A 29 29 ASN N N 29 117.886 116.790 1.096 1
1 222 . 9 1 1 A 29 29 ASN H H 29 8.500 7.875 0.625 1
1 223 . 9 1 1 A 29 29 ASN CA C 29 56.124 56.647 -0.523 1
1 224 . 9 1 1 A 29 29 ASN HA H 29 4.427 4.311 0.116 1
1 225 . 9 1 1 A 29 29 ASN CB C 29 37.934 39.200 -1.266 1
1 231 . 9 1 1 A 29 29 ASN C C 29 178.015 177.627 0.388 1
1 232 . 9 1 1 A 30 30 GLN N N 30 118.146 117.254 0.892 1
1 233 . 9 1 1 A 30 30 GLN H H 30 7.682 8.396 -0.714 1
1 234 . 9 1 1 A 30 30 GLN CA C 30 58.640 59.273 -0.633 1
1 235 . 9 1 1 A 30 30 GLN HA H 30 3.961 3.996 -0.035 1
1 236 . 9 1 1 A 30 30 GLN CB C 30 28.485 28.009 0.476 1
1 245 . 9 1 1 A 30 30 GLN C C 30 178.333 178.459 -0.126 1
1 246 . 9 1 1 A 31 31 HIS N N 31 119.699 120.836 -1.137 1
1 247 . 9 1 1 A 31 31 HIS H H 31 7.693 7.967 -0.274 1
1 248 . 9 1 1 A 31 31 HIS CA C 31 58.923 59.733 -0.810 1
1 249 . 9 1 1 A 31 31 HIS HA H 31 4.181 4.178 0.003 1
1 250 . 9 1 1 A 31 31 HIS CB C 31 28.433 29.527 -1.094 1
1 257 . 9 1 1 A 31 31 HIS C C 31 176.132 177.007 -0.875 1
1 258 . 9 1 1 A 32 32 GLN N N 32 115.052 117.564 -2.512 1
1 259 . 9 1 1 A 32 32 GLN H H 32 8.305 8.363 -0.058 1
1 260 . 9 1 1 A 32 32 GLN CA C 32 59.218 58.955 0.263 1
1 261 . 9 1 1 A 32 32 GLN HA H 32 3.660 3.773 -0.113 1
1 262 . 9 1 1 A 32 32 GLN CB C 32 28.322 28.307 0.015 1
1 271 . 9 1 1 A 32 32 GLN C C 32 177.230 178.513 -1.283 1
1 272 . 9 1 1 A 33 33 ARG N N 33 117.232 118.991 -1.759 1
1 273 . 9 1 1 A 33 33 ARG H H 33 7.068 7.698 -0.630 1
1 274 . 9 1 1 A 33 33 ARG CA C 33 58.313 58.436 -0.123 1
1 275 . 9 1 1 A 33 33 ARG HA H 33 4.101 4.003 0.098 1
1 276 . 9 1 1 A 33 33 ARG CB C 33 29.942 29.884 0.058 1
1 285 . 9 1 1 A 33 33 ARG C C 33 178.473 178.383 0.090 1
1 286 . 9 1 1 A 34 34 ILE N N 34 116.070 115.478 0.592 1
1 287 . 9 1 1 A 34 34 ILE H H 34 7.787 7.584 0.203 1
1 288 . 9 1 1 A 34 34 ILE CA C 34 62.914 64.127 -1.213 1
1 289 . 9 1 1 A 34 34 ILE HA H 34 3.973 3.711 0.262 1
1 290 . 9 1 1 A 34 34 ILE CB C 34 37.629 37.084 0.545 1
1 303 . 9 1 1 A 34 34 ILE C C 34 177.355 177.893 -0.538 1
1 304 . 9 1 1 A 35 35 HIS N N 35 117.906 120.644 -2.738 1
1 305 . 9 1 1 A 35 35 HIS H H 35 7.208 7.916 -0.708 1
1 306 . 9 1 1 A 35 35 HIS CA C 35 55.220 59.028 -3.808 1
1 307 . 9 1 1 A 35 35 HIS HA H 35 4.832 4.449 0.383 1
1 308 . 9 1 1 A 35 35 HIS CB C 35 28.533 31.130 -2.597 1
1 315 . 9 1 1 A 35 35 HIS C C 35 175.765 177.260 -1.495 1
1 316 . 9 1 1 A 36 36 THR N N 36 111.781 113.601 -1.820 1
1 317 . 9 1 1 A 36 36 THR H H 36 7.764 8.015 -0.251 1
1 318 . 9 1 1 A 36 36 THR CA C 36 62.457 64.755 -2.298 1
1 319 . 9 1 1 A 36 36 THR HA H 36 4.330 4.198 0.132 1
1 320 . 9 1 1 A 36 36 THR CB C 36 69.813 69.720 0.093 1
1 326 . 9 1 1 A 36 36 THR C C 36 175.440 174.763 0.677 1
1 327 . 9 1 1 A 37 37 GLY N N 37 110.636 108.817 1.819 1
1 328 . 9 1 1 A 37 37 GLY H H 37 8.211 8.019 0.192 1
1 329 . 9 1 1 A 37 37 GLY CA C 37 45.325 45.130 0.195 1
1 330 . 9 1 1 A 37 37 GLY HA2 H 37 3.923 3.904 0.019 1
1 331 . 9 1 1 A 37 37 GLY HA3 H 37 4.004 3.914 0.090 1
1 332 . 9 1 1 A 37 37 GLY C C 37 174.040 173.608 0.432 1
1 333 . 9 1 1 A 38 38 GLU N N 38 120.567 121.328 -0.761 1
1 334 . 9 1 1 A 38 38 GLU H H 38 8.073 8.546 -0.473 1
1 335 . 9 1 1 A 38 38 GLU CA C 38 56.418 55.635 0.783 1
1 336 . 9 1 1 A 38 38 GLU HA H 38 4.217 4.559 -0.342 1
1 337 . 9 1 1 A 38 38 GLU CB C 38 30.522 29.193 1.329 1
1 343 . 9 1 1 A 38 38 GLU C C 38 176.215 175.166 1.049 1
1 344 . 9 1 1 A 39 39 LYS N N 39 123.787 124.895 -1.108 1
1 345 . 9 1 1 A 39 39 LYS H H 39 8.387 8.062 0.325 1
1 346 . 9 1 1 A 39 39 LYS CA C 39 54.102 53.183 0.919 1
1 347 . 9 1 1 A 39 39 LYS HA H 39 4.575 4.806 -0.231 1
1 348 . 9 1 1 A 39 39 LYS CB C 39 32.422 34.836 -2.414 1
1 359 . 9 1 1 A 39 39 LYS C C 39 174.478 176.063 -1.585 1
1 360 . 9 1 1 A 40 40 PRO CA C 40 63.208 63.935 -0.727 1
1 361 . 9 1 1 A 40 40 PRO HA H 40 4.440 4.479 -0.039 1
1 362 . 9 1 1 A 40 40 PRO CB C 40 32.147 32.063 0.084 1
1 371 . 9 1 1 A 43 43 PRO CA C 43 63.124 62.939 0.185 1
1 372 . 9 1 1 A 43 43 PRO HA H 43 4.417 4.476 -0.059 1
1 373 . 9 1 1 A 43 43 PRO CB C 43 32.161 31.811 0.350 1
1 382 . 9 1 1 A 45 45 SER CA C 45 58.357 57.607 0.750 1
1 383 . 9 1 1 A 45 45 SER HA H 45 4.478 5.115 -0.637 1
1 384 . 9 1 1 A 45 45 SER CB C 45 63.886 66.639 -2.753 1
1 387 . 9 1 1 A 45 45 SER C C 45 173.890 173.521 0.369 1
1 1 . 10 1 1 A 10 10 THR CA C 10 62.043 60.441 1.602 1
1 2 . 10 1 1 A 10 10 THR HA H 10 4.275 5.100 -0.825 1
1 3 . 10 1 1 A 10 10 THR CB C 10 69.619 70.569 -0.950 1
1 9 . 10 1 1 A 10 10 THR C C 10 174.384 172.952 1.432 1
1 10 . 10 1 1 A 11 11 LYS N N 11 124.060 128.056 -3.996 1
1 11 . 10 1 1 A 11 11 LYS H H 11 8.302 8.553 -0.251 1
1 12 . 10 1 1 A 11 11 LYS CA C 11 55.798 54.089 1.709 1
1 13 . 10 1 1 A 11 11 LYS HA H 11 4.240 4.781 -0.541 1
1 14 . 10 1 1 A 11 11 LYS CB C 11 32.582 35.854 -3.272 1
1 25 . 10 1 1 A 11 11 LYS C C 11 175.995 176.709 -0.714 1
1 26 . 10 1 1 A 12 12 SER N N 12 116.110 120.096 -3.986 1
1 27 . 10 1 1 A 12 12 SER H H 12 7.977 8.982 -1.005 1
1 28 . 10 1 1 A 12 12 SER CA C 12 58.636 61.701 -3.065 1
1 29 . 10 1 1 A 12 12 SER HA H 12 4.260 4.032 0.228 1
1 30 . 10 1 1 A 12 12 SER CB C 12 64.029 62.934 1.095 1
1 33 . 10 1 1 A 12 12 SER C C 12 173.332 174.613 -1.281 1
1 34 . 10 1 1 A 13 13 HIS N N 13 122.195 115.905 6.290 1
1 35 . 10 1 1 A 13 13 HIS H H 13 8.407 8.153 0.254 1
1 36 . 10 1 1 A 13 13 HIS CA C 13 55.603 54.817 0.786 1
1 37 . 10 1 1 A 13 13 HIS HA H 13 4.625 4.794 -0.169 1
1 38 . 10 1 1 A 13 13 HIS CB C 13 31.227 28.042 3.185 1
1 45 . 10 1 1 A 13 13 HIS C C 13 174.550 174.223 0.327 1
1 46 . 10 1 1 A 14 14 GLN N N 14 123.997 124.562 -0.565 1
1 47 . 10 1 1 A 14 14 GLN H H 14 8.662 8.801 -0.139 1
1 48 . 10 1 1 A 14 14 GLN CA C 14 54.912 54.329 0.583 1
1 49 . 10 1 1 A 14 14 GLN HA H 14 4.909 5.374 -0.465 1
1 50 . 10 1 1 A 14 14 GLN CB C 14 31.614 30.871 0.743 1
1 59 . 10 1 1 A 14 14 GLN C C 14 174.837 176.035 -1.198 1
1 60 . 10 1 1 A 15 15 CYS N N 15 126.364 125.267 1.097 1
1 61 . 10 1 1 A 15 15 CYS H H 15 9.186 8.843 0.343 1
1 62 . 10 1 1 A 15 15 CYS CA C 15 59.390 59.616 -0.226 1
1 63 . 10 1 1 A 15 15 CYS HA H 15 4.532 4.726 -0.194 1
1 64 . 10 1 1 A 15 15 CYS CB C 15 29.575 29.001 0.574 1
1 67 . 10 1 1 A 15 15 CYS C C 15 177.214 174.792 2.422 1
1 68 . 10 1 1 A 16 16 HIS CA C 16 58.476 57.714 0.762 1
1 69 . 10 1 1 A 16 16 HIS HA H 16 4.471 4.669 -0.198 1
1 70 . 10 1 1 A 16 16 HIS CB C 16 29.832 31.318 -1.486 1
1 77 . 10 1 1 A 16 16 HIS C C 16 175.596 177.213 -1.617 1
1 78 . 10 1 1 A 17 17 GLU N N 17 120.837 118.100 2.737 1
1 79 . 10 1 1 A 17 17 GLU H H 17 8.472 8.071 0.401 1
1 80 . 10 1 1 A 17 17 GLU CA C 17 58.401 58.975 -0.574 1
1 81 . 10 1 1 A 17 17 GLU HA H 17 4.121 4.042 0.079 1
1 82 . 10 1 1 A 17 17 GLU CB C 17 29.314 29.482 -0.168 1
1 88 . 10 1 1 A 17 17 GLU C C 17 177.130 177.935 -0.805 1
1 89 . 10 1 1 A 18 18 CYS N N 18 114.120 114.689 -0.569 1
1 90 . 10 1 1 A 18 18 CYS H H 18 7.802 7.868 -0.066 1
1 91 . 10 1 1 A 18 18 CYS CA C 18 58.221 59.267 -1.046 1
1 92 . 10 1 1 A 18 18 CYS HA H 18 5.117 4.700 0.417 1
1 93 . 10 1 1 A 18 18 CYS CB C 18 32.389 30.289 2.100 1
1 96 . 10 1 1 A 18 18 CYS C C 18 176.179 175.970 0.209 1
1 97 . 10 1 1 A 19 19 GLY N N 19 113.325 110.138 3.187 1
1 98 . 10 1 1 A 19 19 GLY H H 19 8.099 8.528 -0.429 1
1 99 . 10 1 1 A 19 19 GLY CA C 19 46.177 46.363 -0.186 1
1 100 . 10 1 1 A 19 19 GLY HA2 H 19 3.804 3.955 -0.151 1
1 101 . 10 1 1 A 19 19 GLY HA3 H 19 4.212 3.977 0.235 1
1 102 . 10 1 1 A 19 19 GLY C C 19 173.985 174.469 -0.484 1
1 103 . 10 1 1 A 20 20 ARG N N 20 122.410 119.349 3.061 1
1 104 . 10 1 1 A 20 20 ARG H H 20 7.910 7.897 0.013 1
1 105 . 10 1 1 A 20 20 ARG CA C 20 57.691 54.543 3.148 1
1 106 . 10 1 1 A 20 20 ARG HA H 20 3.970 4.502 -0.532 1
1 107 . 10 1 1 A 20 20 ARG CB C 20 31.437 31.958 -0.521 1
1 116 . 10 1 1 A 20 20 ARG C C 20 174.491 175.290 -0.799 1
1 117 . 10 1 1 A 21 21 GLY N N 21 108.663 110.085 -1.422 1
1 118 . 10 1 1 A 21 21 GLY H H 21 8.053 8.575 -0.522 1
1 119 . 10 1 1 A 21 21 GLY CA C 21 43.942 44.554 -0.612 1
1 120 . 10 1 1 A 21 21 GLY HA2 H 21 3.349 4.020 -0.671 1
1 121 . 10 1 1 A 21 21 GLY HA3 H 21 4.767 4.078 0.689 1
1 122 . 10 1 1 A 21 21 GLY C C 21 172.522 172.322 0.200 1
1 123 . 10 1 1 A 22 22 PHE N N 22 117.603 124.929 -7.326 1
1 124 . 10 1 1 A 22 22 PHE H H 22 8.383 8.640 -0.257 1
1 125 . 10 1 1 A 22 22 PHE CA C 22 57.190 56.676 0.514 1
1 126 . 10 1 1 A 22 22 PHE HA H 22 4.803 5.149 -0.346 1
1 127 . 10 1 1 A 22 22 PHE CB C 22 43.726 41.864 1.862 1
1 140 . 10 1 1 A 22 22 PHE C C 22 175.623 176.033 -0.410 1
1 141 . 10 1 1 A 23 23 THR CA C 23 64.469 66.254 -1.785 1
1 142 . 10 1 1 A 23 23 THR HA H 23 4.405 4.383 0.022 1
1 143 . 10 1 1 A 23 23 THR CB C 23 69.258 69.229 0.029 1
1 149 . 10 1 1 A 23 23 THR C C 23 174.733 175.231 -0.498 1
1 150 . 10 1 1 A 24 24 LEU N N 24 118.621 119.708 -1.087 1
1 151 . 10 1 1 A 24 24 LEU H H 24 7.397 8.355 -0.958 1
1 152 . 10 1 1 A 24 24 LEU CA C 24 52.956 54.069 -1.113 1
1 153 . 10 1 1 A 24 24 LEU HA H 24 4.672 4.550 0.122 1
1 154 . 10 1 1 A 24 24 LEU CB C 24 44.907 42.532 2.375 1
1 167 . 10 1 1 A 24 24 LEU C C 24 177.120 177.158 -0.038 1
1 168 . 10 1 1 A 25 25 LYS N N 25 125.592 125.937 -0.345 1
1 169 . 10 1 1 A 25 25 LYS H H 25 8.555 8.793 -0.238 1
1 170 . 10 1 1 A 25 25 LYS CA C 25 59.139 59.754 -0.615 1
1 171 . 10 1 1 A 25 25 LYS HA H 25 3.201 3.053 0.148 1
1 172 . 10 1 1 A 25 25 LYS CB C 25 31.829 31.521 0.308 1
1 184 . 10 1 1 A 25 25 LYS C C 25 178.110 177.677 0.433 1
1 185 . 10 1 1 A 26 26 SER CA C 26 60.759 61.327 -0.568 1
1 186 . 10 1 1 A 26 26 SER HA H 26 4.034 4.017 0.017 1
1 187 . 10 1 1 A 26 26 SER CB C 26 61.446 63.027 -1.581 1
1 190 . 10 1 1 A 26 26 SER C C 26 177.426 177.178 0.248 1
1 191 . 10 1 1 A 27 27 HIS N N 27 121.342 119.788 1.554 1
1 192 . 10 1 1 A 27 27 HIS H H 27 6.706 7.984 -1.278 1
1 193 . 10 1 1 A 27 27 HIS CA C 27 57.237 59.206 -1.969 1
1 194 . 10 1 1 A 27 27 HIS HA H 27 4.420 4.107 0.313 1
1 195 . 10 1 1 A 27 27 HIS CB C 27 31.574 29.819 1.755 1
1 202 . 10 1 1 A 27 27 HIS C C 27 178.457 177.010 1.447 1
1 203 . 10 1 1 A 28 28 LEU N N 28 122.540 120.084 2.456 1
1 204 . 10 1 1 A 28 28 LEU H H 28 7.190 7.512 -0.322 1
1 205 . 10 1 1 A 28 28 LEU CA C 28 57.976 57.796 0.180 1
1 206 . 10 1 1 A 28 28 LEU HA H 28 3.191 2.546 0.645 1
1 207 . 10 1 1 A 28 28 LEU CB C 28 40.034 41.531 -1.497 1
1 220 . 10 1 1 A 28 28 LEU C C 28 177.619 178.051 -0.432 1
1 221 . 10 1 1 A 29 29 ASN N N 29 117.886 116.966 0.920 1
1 222 . 10 1 1 A 29 29 ASN H H 29 8.500 7.815 0.685 1
1 223 . 10 1 1 A 29 29 ASN CA C 29 56.124 56.345 -0.221 1
1 224 . 10 1 1 A 29 29 ASN HA H 29 4.427 4.333 0.094 1
1 225 . 10 1 1 A 29 29 ASN CB C 29 37.934 38.747 -0.813 1
1 231 . 10 1 1 A 29 29 ASN C C 29 178.015 177.692 0.323 1
1 232 . 10 1 1 A 30 30 GLN N N 30 118.146 117.257 0.889 1
1 233 . 10 1 1 A 30 30 GLN H H 30 7.682 8.333 -0.651 1
1 234 . 10 1 1 A 30 30 GLN CA C 30 58.640 59.320 -0.680 1
1 235 . 10 1 1 A 30 30 GLN HA H 30 3.961 3.995 -0.034 1
1 236 . 10 1 1 A 30 30 GLN CB C 30 28.485 28.032 0.453 1
1 245 . 10 1 1 A 30 30 GLN C C 30 178.333 178.389 -0.056 1
1 246 . 10 1 1 A 31 31 HIS N N 31 119.699 120.647 -0.948 1
1 247 . 10 1 1 A 31 31 HIS H H 31 7.693 8.159 -0.466 1
1 248 . 10 1 1 A 31 31 HIS CA C 31 58.923 59.605 -0.682 1
1 249 . 10 1 1 A 31 31 HIS HA H 31 4.181 4.238 -0.057 1
1 250 . 10 1 1 A 31 31 HIS CB C 31 28.433 29.663 -1.230 1
1 257 . 10 1 1 A 31 31 HIS C C 31 176.132 176.787 -0.655 1
1 258 . 10 1 1 A 32 32 GLN N N 32 115.052 117.229 -2.177 1
1 259 . 10 1 1 A 32 32 GLN H H 32 8.305 8.680 -0.375 1
1 260 . 10 1 1 A 32 32 GLN CA C 32 59.218 59.152 0.066 1
1 261 . 10 1 1 A 32 32 GLN HA H 32 3.660 3.819 -0.159 1
1 262 . 10 1 1 A 32 32 GLN CB C 32 28.322 28.353 -0.031 1
1 271 . 10 1 1 A 32 32 GLN C C 32 177.230 178.465 -1.235 1
1 272 . 10 1 1 A 33 33 ARG N N 33 117.232 119.784 -2.552 1
1 273 . 10 1 1 A 33 33 ARG H H 33 7.068 7.781 -0.713 1
1 274 . 10 1 1 A 33 33 ARG CA C 33 58.313 58.980 -0.667 1
1 275 . 10 1 1 A 33 33 ARG HA H 33 4.101 4.025 0.076 1
1 276 . 10 1 1 A 33 33 ARG CB C 33 29.942 29.772 0.170 1
1 285 . 10 1 1 A 33 33 ARG C C 33 178.473 179.012 -0.539 1
1 286 . 10 1 1 A 34 34 ILE N N 34 116.070 117.383 -1.313 1
1 287 . 10 1 1 A 34 34 ILE H H 34 7.787 7.962 -0.175 1
1 288 . 10 1 1 A 34 34 ILE CA C 34 62.914 63.660 -0.746 1
1 289 . 10 1 1 A 34 34 ILE HA H 34 3.973 3.744 0.229 1
1 290 . 10 1 1 A 34 34 ILE CB C 34 37.629 37.247 0.382 1
1 303 . 10 1 1 A 34 34 ILE C C 34 177.355 176.777 0.578 1
1 304 . 10 1 1 A 35 35 HIS N N 35 117.906 119.913 -2.007 1
1 305 . 10 1 1 A 35 35 HIS H H 35 7.208 7.354 -0.146 1
1 306 . 10 1 1 A 35 35 HIS CA C 35 55.220 57.823 -2.603 1
1 307 . 10 1 1 A 35 35 HIS HA H 35 4.832 4.471 0.361 1
1 308 . 10 1 1 A 35 35 HIS CB C 35 28.533 31.056 -2.523 1
1 315 . 10 1 1 A 35 35 HIS C C 35 175.765 177.282 -1.517 1
1 316 . 10 1 1 A 36 36 THR N N 36 111.781 113.821 -2.040 1
1 317 . 10 1 1 A 36 36 THR H H 36 7.764 8.171 -0.407 1
1 318 . 10 1 1 A 36 36 THR CA C 36 62.457 65.074 -2.617 1
1 319 . 10 1 1 A 36 36 THR HA H 36 4.330 3.996 0.334 1
1 320 . 10 1 1 A 36 36 THR CB C 36 69.813 69.619 0.194 1
1 326 . 10 1 1 A 36 36 THR C C 36 175.440 174.754 0.686 1
1 327 . 10 1 1 A 37 37 GLY N N 37 110.636 108.224 2.412 1
1 328 . 10 1 1 A 37 37 GLY H H 37 8.211 7.697 0.514 1
1 329 . 10 1 1 A 37 37 GLY CA C 37 45.325 44.707 0.618 1
1 330 . 10 1 1 A 37 37 GLY HA2 H 37 3.923 4.023 -0.100 1
1 331 . 10 1 1 A 37 37 GLY HA3 H 37 4.004 4.028 -0.024 1
1 332 . 10 1 1 A 37 37 GLY C C 37 174.040 172.988 1.052 1
1 333 . 10 1 1 A 38 38 GLU N N 38 120.567 119.689 0.878 1
1 334 . 10 1 1 A 38 38 GLU H H 38 8.073 8.565 -0.492 1
1 335 . 10 1 1 A 38 38 GLU CA C 38 56.418 55.468 0.950 1
1 336 . 10 1 1 A 38 38 GLU HA H 38 4.217 4.432 -0.215 1
1 337 . 10 1 1 A 38 38 GLU CB C 38 30.522 30.836 -0.314 1
1 343 . 10 1 1 A 38 38 GLU C C 38 176.215 176.968 -0.753 1
1 344 . 10 1 1 A 39 39 LYS N N 39 123.787 123.962 -0.175 1
1 345 . 10 1 1 A 39 39 LYS H H 39 8.387 9.045 -0.658 1
1 346 . 10 1 1 A 39 39 LYS CA C 39 54.102 56.968 -2.866 1
1 347 . 10 1 1 A 39 39 LYS HA H 39 4.575 3.986 0.589 1
1 348 . 10 1 1 A 39 39 LYS CB C 39 32.422 30.876 1.546 1
1 359 . 10 1 1 A 39 39 LYS C C 39 174.478 177.344 -2.866 1
1 360 . 10 1 1 A 40 40 PRO CA C 40 63.208 64.043 -0.835 1
1 361 . 10 1 1 A 40 40 PRO HA H 40 4.440 4.483 -0.043 1
1 362 . 10 1 1 A 40 40 PRO CB C 40 32.147 32.033 0.114 1
1 371 . 10 1 1 A 43 43 PRO CA C 43 63.124 62.835 0.289 1
1 372 . 10 1 1 A 43 43 PRO HA H 43 4.417 4.695 -0.278 1
1 373 . 10 1 1 A 43 43 PRO CB C 43 32.161 31.634 0.527 1
1 382 . 10 1 1 A 45 45 SER CA C 45 58.357 59.617 -1.260 1
1 383 . 10 1 1 A 45 45 SER HA H 45 4.478 4.403 0.075 1
1 384 . 10 1 1 A 45 45 SER CB C 45 63.886 63.001 0.885 1
1 387 . 10 1 1 A 45 45 SER C C 45 173.890 174.982 -1.092 1
1 1 . 11 1 1 A 10 10 THR CA C 10 62.043 60.190 1.853 1
1 2 . 11 1 1 A 10 10 THR HA H 10 4.275 5.347 -1.072 1
1 3 . 11 1 1 A 10 10 THR CB C 10 69.619 71.783 -2.164 1
1 9 . 11 1 1 A 10 10 THR C C 10 174.384 172.292 2.092 1
1 10 . 11 1 1 A 11 11 LYS N N 11 124.060 124.177 -0.117 1
1 11 . 11 1 1 A 11 11 LYS H H 11 8.302 8.880 -0.578 1
1 12 . 11 1 1 A 11 11 LYS CA C 11 55.798 54.048 1.750 1
1 13 . 11 1 1 A 11 11 LYS HA H 11 4.240 4.908 -0.668 1
1 14 . 11 1 1 A 11 11 LYS CB C 11 32.582 35.146 -2.564 1
1 25 . 11 1 1 A 11 11 LYS C C 11 175.995 177.064 -1.069 1
1 26 . 11 1 1 A 12 12 SER N N 12 116.110 117.804 -1.694 1
1 27 . 11 1 1 A 12 12 SER H H 12 7.977 8.682 -0.705 1
1 28 . 11 1 1 A 12 12 SER CA C 12 58.636 62.434 -3.798 1
1 29 . 11 1 1 A 12 12 SER HA H 12 4.260 3.972 0.288 1
1 30 . 11 1 1 A 12 12 SER CB C 12 64.029 62.886 1.143 1
1 33 . 11 1 1 A 12 12 SER C C 12 173.332 174.690 -1.358 1
1 34 . 11 1 1 A 13 13 HIS N N 13 122.195 116.288 5.907 1
1 35 . 11 1 1 A 13 13 HIS H H 13 8.407 7.552 0.855 1
1 36 . 11 1 1 A 13 13 HIS CA C 13 55.603 54.578 1.025 1
1 37 . 11 1 1 A 13 13 HIS HA H 13 4.625 5.189 -0.564 1
1 38 . 11 1 1 A 13 13 HIS CB C 13 31.227 30.968 0.259 1
1 45 . 11 1 1 A 13 13 HIS C C 13 174.550 173.607 0.943 1
1 46 . 11 1 1 A 14 14 GLN N N 14 123.997 124.934 -0.937 1
1 47 . 11 1 1 A 14 14 GLN H H 14 8.662 9.040 -0.378 1
1 48 . 11 1 1 A 14 14 GLN CA C 14 54.912 54.037 0.875 1
1 49 . 11 1 1 A 14 14 GLN HA H 14 4.909 5.408 -0.499 1
1 50 . 11 1 1 A 14 14 GLN CB C 14 31.614 31.187 0.427 1
1 59 . 11 1 1 A 14 14 GLN C C 14 174.837 176.072 -1.235 1
1 60 . 11 1 1 A 15 15 CYS N N 15 126.364 125.336 1.028 1
1 61 . 11 1 1 A 15 15 CYS H H 15 9.186 9.223 -0.037 1
1 62 . 11 1 1 A 15 15 CYS CA C 15 59.390 59.776 -0.386 1
1 63 . 11 1 1 A 15 15 CYS HA H 15 4.532 4.799 -0.267 1
1 64 . 11 1 1 A 15 15 CYS CB C 15 29.575 28.892 0.683 1
1 67 . 11 1 1 A 15 15 CYS C C 15 177.214 175.014 2.200 1
1 68 . 11 1 1 A 16 16 HIS CA C 16 58.476 57.024 1.452 1
1 69 . 11 1 1 A 16 16 HIS HA H 16 4.471 4.636 -0.165 1
1 70 . 11 1 1 A 16 16 HIS CB C 16 29.832 31.738 -1.906 1
1 77 . 11 1 1 A 16 16 HIS C C 16 175.596 176.622 -1.026 1
1 78 . 11 1 1 A 17 17 GLU N N 17 120.837 119.198 1.639 1
1 79 . 11 1 1 A 17 17 GLU H H 17 8.472 8.132 0.340 1
1 80 . 11 1 1 A 17 17 GLU CA C 17 58.401 59.087 -0.686 1
1 81 . 11 1 1 A 17 17 GLU HA H 17 4.121 3.932 0.189 1
1 82 . 11 1 1 A 17 17 GLU CB C 17 29.314 29.455 -0.141 1
1 88 . 11 1 1 A 17 17 GLU C C 17 177.130 177.888 -0.758 1
1 89 . 11 1 1 A 18 18 CYS N N 18 114.120 114.667 -0.547 1
1 90 . 11 1 1 A 18 18 CYS H H 18 7.802 7.788 0.014 1
1 91 . 11 1 1 A 18 18 CYS CA C 18 58.221 59.373 -1.152 1
1 92 . 11 1 1 A 18 18 CYS HA H 18 5.117 4.690 0.427 1
1 93 . 11 1 1 A 18 18 CYS CB C 18 32.389 30.443 1.946 1
1 96 . 11 1 1 A 18 18 CYS C C 18 176.179 175.874 0.305 1
1 97 . 11 1 1 A 19 19 GLY N N 19 113.325 110.331 2.994 1
1 98 . 11 1 1 A 19 19 GLY H H 19 8.099 8.301 -0.202 1
1 99 . 11 1 1 A 19 19 GLY CA C 19 46.177 45.283 0.894 1
1 100 . 11 1 1 A 19 19 GLY HA2 H 19 3.804 3.996 -0.192 1
1 101 . 11 1 1 A 19 19 GLY HA3 H 19 4.212 4.000 0.212 1
1 102 . 11 1 1 A 19 19 GLY C C 19 173.985 174.754 -0.769 1
1 103 . 11 1 1 A 20 20 ARG N N 20 122.410 120.239 2.171 1
1 104 . 11 1 1 A 20 20 ARG H H 20 7.910 7.334 0.576 1
1 105 . 11 1 1 A 20 20 ARG CA C 20 57.691 56.120 1.571 1
1 106 . 11 1 1 A 20 20 ARG HA H 20 3.970 4.270 -0.300 1
1 107 . 11 1 1 A 20 20 ARG CB C 20 31.437 32.069 -0.632 1
1 116 . 11 1 1 A 20 20 ARG C C 20 174.491 175.369 -0.878 1
1 117 . 11 1 1 A 21 21 GLY N N 21 108.663 107.526 1.137 1
1 118 . 11 1 1 A 21 21 GLY H H 21 8.053 8.078 -0.025 1
1 119 . 11 1 1 A 21 21 GLY CA C 21 43.942 44.070 -0.128 1
1 120 . 11 1 1 A 21 21 GLY HA2 H 21 3.349 4.164 -0.815 1
1 121 . 11 1 1 A 21 21 GLY HA3 H 21 4.767 4.256 0.511 1
1 122 . 11 1 1 A 21 21 GLY C C 21 172.522 171.575 0.947 1
1 123 . 11 1 1 A 22 22 PHE N N 22 117.603 122.505 -4.902 1
1 124 . 11 1 1 A 22 22 PHE H H 22 8.383 8.785 -0.402 1
1 125 . 11 1 1 A 22 22 PHE CA C 22 57.190 56.457 0.733 1
1 126 . 11 1 1 A 22 22 PHE HA H 22 4.803 5.055 -0.252 1
1 127 . 11 1 1 A 22 22 PHE CB C 22 43.726 43.047 0.679 1
1 140 . 11 1 1 A 22 22 PHE C C 22 175.623 175.816 -0.193 1
1 141 . 11 1 1 A 23 23 THR CA C 23 64.469 66.043 -1.574 1
1 142 . 11 1 1 A 23 23 THR HA H 23 4.405 4.234 0.171 1
1 143 . 11 1 1 A 23 23 THR CB C 23 69.258 69.439 -0.181 1
1 149 . 11 1 1 A 23 23 THR C C 23 174.733 175.211 -0.478 1
1 150 . 11 1 1 A 24 24 LEU N N 24 118.621 120.004 -1.383 1
1 151 . 11 1 1 A 24 24 LEU H H 24 7.397 8.237 -0.840 1
1 152 . 11 1 1 A 24 24 LEU CA C 24 52.956 54.193 -1.237 1
1 153 . 11 1 1 A 24 24 LEU HA H 24 4.672 4.601 0.071 1
1 154 . 11 1 1 A 24 24 LEU CB C 24 44.907 42.548 2.359 1
1 167 . 11 1 1 A 24 24 LEU C C 24 177.120 177.645 -0.525 1
1 168 . 11 1 1 A 25 25 LYS N N 25 125.592 125.891 -0.299 1
1 169 . 11 1 1 A 25 25 LYS H H 25 8.555 9.058 -0.503 1
1 170 . 11 1 1 A 25 25 LYS CA C 25 59.139 59.990 -0.851 1
1 171 . 11 1 1 A 25 25 LYS HA H 25 3.201 3.204 -0.003 1
1 172 . 11 1 1 A 25 25 LYS CB C 25 31.829 31.573 0.256 1
1 184 . 11 1 1 A 25 25 LYS C C 25 178.110 177.714 0.396 1
1 185 . 11 1 1 A 26 26 SER CA C 26 60.759 61.373 -0.614 1
1 186 . 11 1 1 A 26 26 SER HA H 26 4.034 4.069 -0.035 1
1 187 . 11 1 1 A 26 26 SER CB C 26 61.446 62.978 -1.532 1
1 190 . 11 1 1 A 26 26 SER C C 26 177.426 177.166 0.260 1
1 191 . 11 1 1 A 27 27 HIS N N 27 121.342 119.652 1.690 1
1 192 . 11 1 1 A 27 27 HIS H H 27 6.706 7.827 -1.121 1
1 193 . 11 1 1 A 27 27 HIS CA C 27 57.237 59.055 -1.818 1
1 194 . 11 1 1 A 27 27 HIS HA H 27 4.420 4.144 0.276 1
1 195 . 11 1 1 A 27 27 HIS CB C 27 31.574 30.040 1.534 1
1 202 . 11 1 1 A 27 27 HIS C C 27 178.457 177.074 1.383 1
1 203 . 11 1 1 A 28 28 LEU N N 28 122.540 120.240 2.300 1
1 204 . 11 1 1 A 28 28 LEU H H 28 7.190 7.563 -0.373 1
1 205 . 11 1 1 A 28 28 LEU CA C 28 57.976 57.840 0.136 1
1 206 . 11 1 1 A 28 28 LEU HA H 28 3.191 2.764 0.427 1
1 207 . 11 1 1 A 28 28 LEU CB C 28 40.034 41.355 -1.321 1
1 220 . 11 1 1 A 28 28 LEU C C 28 177.619 178.216 -0.597 1
1 221 . 11 1 1 A 29 29 ASN N N 29 117.886 116.841 1.045 1
1 222 . 11 1 1 A 29 29 ASN H H 29 8.500 8.187 0.313 1
1 223 . 11 1 1 A 29 29 ASN CA C 29 56.124 56.624 -0.500 1
1 224 . 11 1 1 A 29 29 ASN HA H 29 4.427 4.347 0.080 1
1 225 . 11 1 1 A 29 29 ASN CB C 29 37.934 39.110 -1.176 1
1 231 . 11 1 1 A 29 29 ASN C C 29 178.015 178.017 -0.002 1
1 232 . 11 1 1 A 30 30 GLN N N 30 118.146 118.885 -0.739 1
1 233 . 11 1 1 A 30 30 GLN H H 30 7.682 7.906 -0.224 1
1 234 . 11 1 1 A 30 30 GLN CA C 30 58.640 58.740 -0.100 1
1 235 . 11 1 1 A 30 30 GLN HA H 30 3.961 4.000 -0.039 1
1 236 . 11 1 1 A 30 30 GLN CB C 30 28.485 28.335 0.150 1
1 245 . 11 1 1 A 30 30 GLN C C 30 178.333 178.369 -0.036 1
1 246 . 11 1 1 A 31 31 HIS N N 31 119.699 119.527 0.172 1
1 247 . 11 1 1 A 31 31 HIS H H 31 7.693 8.030 -0.337 1
1 248 . 11 1 1 A 31 31 HIS CA C 31 58.923 59.699 -0.776 1
1 249 . 11 1 1 A 31 31 HIS HA H 31 4.181 4.147 0.034 1
1 250 . 11 1 1 A 31 31 HIS CB C 31 28.433 29.470 -1.037 1
1 257 . 11 1 1 A 31 31 HIS C C 31 176.132 177.186 -1.054 1
1 258 . 11 1 1 A 32 32 GLN N N 32 115.052 117.385 -2.333 1
1 259 . 11 1 1 A 32 32 GLN H H 32 8.305 8.644 -0.339 1
1 260 . 11 1 1 A 32 32 GLN CA C 32 59.218 59.053 0.165 1
1 261 . 11 1 1 A 32 32 GLN HA H 32 3.660 3.967 -0.307 1
1 262 . 11 1 1 A 32 32 GLN CB C 32 28.322 28.416 -0.094 1
1 271 . 11 1 1 A 32 32 GLN C C 32 177.230 178.363 -1.133 1
1 272 . 11 1 1 A 33 33 ARG N N 33 117.232 119.951 -2.719 1
1 273 . 11 1 1 A 33 33 ARG H H 33 7.068 7.917 -0.849 1
1 274 . 11 1 1 A 33 33 ARG CA C 33 58.313 59.000 -0.687 1
1 275 . 11 1 1 A 33 33 ARG HA H 33 4.101 4.043 0.058 1
1 276 . 11 1 1 A 33 33 ARG CB C 33 29.942 29.682 0.260 1
1 285 . 11 1 1 A 33 33 ARG C C 33 178.473 178.930 -0.457 1
1 286 . 11 1 1 A 34 34 ILE N N 34 116.070 118.107 -2.037 1
1 287 . 11 1 1 A 34 34 ILE H H 34 7.787 7.891 -0.104 1
1 288 . 11 1 1 A 34 34 ILE CA C 34 62.914 63.984 -1.070 1
1 289 . 11 1 1 A 34 34 ILE HA H 34 3.973 3.687 0.286 1
1 290 . 11 1 1 A 34 34 ILE CB C 34 37.629 37.135 0.494 1
1 303 . 11 1 1 A 34 34 ILE C C 34 177.355 176.896 0.459 1
1 304 . 11 1 1 A 35 35 HIS N N 35 117.906 119.304 -1.398 1
1 305 . 11 1 1 A 35 35 HIS H H 35 7.208 7.309 -0.101 1
1 306 . 11 1 1 A 35 35 HIS CA C 35 55.220 57.427 -2.207 1
1 307 . 11 1 1 A 35 35 HIS HA H 35 4.832 4.525 0.307 1
1 308 . 11 1 1 A 35 35 HIS CB C 35 28.533 31.188 -2.655 1
1 315 . 11 1 1 A 35 35 HIS C C 35 175.765 175.689 0.076 1
1 316 . 11 1 1 A 36 36 THR N N 36 111.781 114.018 -2.237 1
1 317 . 11 1 1 A 36 36 THR H H 36 7.764 7.548 0.216 1
1 318 . 11 1 1 A 36 36 THR CA C 36 62.457 64.991 -2.534 1
1 319 . 11 1 1 A 36 36 THR HA H 36 4.330 4.030 0.300 1
1 320 . 11 1 1 A 36 36 THR CB C 36 69.813 68.144 1.669 1
1 326 . 11 1 1 A 36 36 THR C C 36 175.440 175.563 -0.123 1
1 327 . 11 1 1 A 37 37 GLY N N 37 110.636 115.163 -4.527 1
1 328 . 11 1 1 A 37 37 GLY H H 37 8.211 8.669 -0.458 1
1 329 . 11 1 1 A 37 37 GLY CA C 37 45.325 44.667 0.658 1
1 330 . 11 1 1 A 37 37 GLY HA2 H 37 3.923 4.150 -0.227 1
1 331 . 11 1 1 A 37 37 GLY HA3 H 37 4.004 4.157 -0.153 1
1 332 . 11 1 1 A 37 37 GLY C C 37 174.040 173.504 0.536 1
1 333 . 11 1 1 A 38 38 GLU N N 38 120.567 122.591 -2.024 1
1 334 . 11 1 1 A 38 38 GLU H H 38 8.073 8.599 -0.526 1
1 335 . 11 1 1 A 38 38 GLU CA C 38 56.418 54.849 1.569 1
1 336 . 11 1 1 A 38 38 GLU HA H 38 4.217 5.047 -0.830 1
1 337 . 11 1 1 A 38 38 GLU CB C 38 30.522 33.025 -2.503 1
1 343 . 11 1 1 A 38 38 GLU C C 38 176.215 175.259 0.956 1
1 344 . 11 1 1 A 39 39 LYS N N 39 123.787 123.145 0.642 1
1 345 . 11 1 1 A 39 39 LYS H H 39 8.387 8.669 -0.282 1
1 346 . 11 1 1 A 39 39 LYS CA C 39 54.102 53.609 0.493 1
1 347 . 11 1 1 A 39 39 LYS HA H 39 4.575 4.996 -0.421 1
1 348 . 11 1 1 A 39 39 LYS CB C 39 32.422 33.328 -0.906 1
1 359 . 11 1 1 A 39 39 LYS C C 39 174.478 173.482 0.996 1
1 360 . 11 1 1 A 40 40 PRO CA C 40 63.208 62.347 0.861 1
1 361 . 11 1 1 A 40 40 PRO HA H 40 4.440 4.584 -0.144 1
1 362 . 11 1 1 A 40 40 PRO CB C 40 32.147 32.636 -0.489 1
1 371 . 11 1 1 A 43 43 PRO CA C 43 63.124 63.990 -0.866 1
1 372 . 11 1 1 A 43 43 PRO HA H 43 4.417 4.379 0.038 1
1 373 . 11 1 1 A 43 43 PRO CB C 43 32.161 31.901 0.260 1
1 382 . 11 1 1 A 45 45 SER CA C 45 58.357 60.484 -2.127 1
1 383 . 11 1 1 A 45 45 SER HA H 45 4.478 4.279 0.199 1
1 384 . 11 1 1 A 45 45 SER CB C 45 63.886 63.610 0.276 1
1 387 . 11 1 1 A 45 45 SER C C 45 173.890 175.162 -1.272 1
1 1 . 12 1 1 A 10 10 THR CA C 10 62.043 62.474 -0.431 1
1 2 . 12 1 1 A 10 10 THR HA H 10 4.275 4.632 -0.357 1
1 3 . 12 1 1 A 10 10 THR CB C 10 69.619 70.247 -0.628 1
1 9 . 12 1 1 A 10 10 THR C C 10 174.384 174.441 -0.057 1
1 10 . 12 1 1 A 11 11 LYS N N 11 124.060 124.304 -0.244 1
1 11 . 12 1 1 A 11 11 LYS H H 11 8.302 8.683 -0.381 1
1 12 . 12 1 1 A 11 11 LYS CA C 11 55.798 54.091 1.707 1
1 13 . 12 1 1 A 11 11 LYS HA H 11 4.240 4.954 -0.714 1
1 14 . 12 1 1 A 11 11 LYS CB C 11 32.582 35.568 -2.986 1
1 25 . 12 1 1 A 11 11 LYS C C 11 175.995 175.884 0.111 1
1 26 . 12 1 1 A 12 12 SER N N 12 116.110 112.856 3.254 1
1 27 . 12 1 1 A 12 12 SER H H 12 7.977 8.333 -0.356 1
1 28 . 12 1 1 A 12 12 SER CA C 12 58.636 58.195 0.441 1
1 29 . 12 1 1 A 12 12 SER HA H 12 4.260 4.559 -0.299 1
1 30 . 12 1 1 A 12 12 SER CB C 12 64.029 64.640 -0.611 1
1 33 . 12 1 1 A 12 12 SER C C 12 173.332 174.056 -0.724 1
1 34 . 12 1 1 A 13 13 HIS N N 13 122.195 119.132 3.063 1
1 35 . 12 1 1 A 13 13 HIS H H 13 8.407 7.973 0.434 1
1 36 . 12 1 1 A 13 13 HIS CA C 13 55.603 54.805 0.798 1
1 37 . 12 1 1 A 13 13 HIS HA H 13 4.625 4.809 -0.184 1
1 38 . 12 1 1 A 13 13 HIS CB C 13 31.227 28.170 3.057 1
1 45 . 12 1 1 A 13 13 HIS C C 13 174.550 174.253 0.297 1
1 46 . 12 1 1 A 14 14 GLN N N 14 123.997 124.402 -0.405 1
1 47 . 12 1 1 A 14 14 GLN H H 14 8.662 8.892 -0.230 1
1 48 . 12 1 1 A 14 14 GLN CA C 14 54.912 54.997 -0.085 1
1 49 . 12 1 1 A 14 14 GLN HA H 14 4.909 4.887 0.022 1
1 50 . 12 1 1 A 14 14 GLN CB C 14 31.614 29.982 1.632 1
1 59 . 12 1 1 A 14 14 GLN C C 14 174.837 176.046 -1.209 1
1 60 . 12 1 1 A 15 15 CYS N N 15 126.364 124.066 2.298 1
1 61 . 12 1 1 A 15 15 CYS H H 15 9.186 8.532 0.654 1
1 62 . 12 1 1 A 15 15 CYS CA C 15 59.390 59.119 0.271 1
1 63 . 12 1 1 A 15 15 CYS HA H 15 4.532 4.888 -0.356 1
1 64 . 12 1 1 A 15 15 CYS CB C 15 29.575 29.354 0.221 1
1 67 . 12 1 1 A 15 15 CYS C C 15 177.214 174.802 2.412 1
1 68 . 12 1 1 A 16 16 HIS CA C 16 58.476 56.987 1.489 1
1 69 . 12 1 1 A 16 16 HIS HA H 16 4.471 4.701 -0.230 1
1 70 . 12 1 1 A 16 16 HIS CB C 16 29.832 31.618 -1.786 1
1 77 . 12 1 1 A 16 16 HIS C C 16 175.596 176.408 -0.812 1
1 78 . 12 1 1 A 17 17 GLU N N 17 120.837 119.303 1.534 1
1 79 . 12 1 1 A 17 17 GLU H H 17 8.472 8.057 0.415 1
1 80 . 12 1 1 A 17 17 GLU CA C 17 58.401 58.907 -0.506 1
1 81 . 12 1 1 A 17 17 GLU HA H 17 4.121 4.004 0.117 1
1 82 . 12 1 1 A 17 17 GLU CB C 17 29.314 29.355 -0.041 1
1 88 . 12 1 1 A 17 17 GLU C C 17 177.130 177.839 -0.709 1
1 89 . 12 1 1 A 18 18 CYS N N 18 114.120 114.782 -0.662 1
1 90 . 12 1 1 A 18 18 CYS H H 18 7.802 7.837 -0.035 1
1 91 . 12 1 1 A 18 18 CYS CA C 18 58.221 59.244 -1.023 1
1 92 . 12 1 1 A 18 18 CYS HA H 18 5.117 4.694 0.423 1
1 93 . 12 1 1 A 18 18 CYS CB C 18 32.389 30.523 1.866 1
1 96 . 12 1 1 A 18 18 CYS C C 18 176.179 175.873 0.306 1
1 97 . 12 1 1 A 19 19 GLY N N 19 113.325 110.243 3.082 1
1 98 . 12 1 1 A 19 19 GLY H H 19 8.099 8.420 -0.321 1
1 99 . 12 1 1 A 19 19 GLY CA C 19 46.177 46.326 -0.149 1
1 100 . 12 1 1 A 19 19 GLY HA2 H 19 3.804 3.917 -0.113 1
1 101 . 12 1 1 A 19 19 GLY HA3 H 19 4.212 3.930 0.282 1
1 102 . 12 1 1 A 19 19 GLY C C 19 173.985 174.328 -0.343 1
1 103 . 12 1 1 A 20 20 ARG N N 20 122.410 119.230 3.180 1
1 104 . 12 1 1 A 20 20 ARG H H 20 7.910 7.843 0.067 1
1 105 . 12 1 1 A 20 20 ARG CA C 20 57.691 54.727 2.964 1
1 106 . 12 1 1 A 20 20 ARG HA H 20 3.970 4.489 -0.519 1
1 107 . 12 1 1 A 20 20 ARG CB C 20 31.437 31.965 -0.528 1
1 116 . 12 1 1 A 20 20 ARG C C 20 174.491 175.206 -0.715 1
1 117 . 12 1 1 A 21 21 GLY N N 21 108.663 107.452 1.211 1
1 118 . 12 1 1 A 21 21 GLY H H 21 8.053 8.128 -0.075 1
1 119 . 12 1 1 A 21 21 GLY CA C 21 43.942 44.204 -0.262 1
1 120 . 12 1 1 A 21 21 GLY HA2 H 21 3.349 4.061 -0.712 1
1 121 . 12 1 1 A 21 21 GLY HA3 H 21 4.767 4.097 0.670 1
1 122 . 12 1 1 A 21 21 GLY C C 21 172.522 171.725 0.797 1
1 123 . 12 1 1 A 22 22 PHE N N 22 117.603 125.142 -7.539 1
1 124 . 12 1 1 A 22 22 PHE H H 22 8.383 8.702 -0.319 1
1 125 . 12 1 1 A 22 22 PHE CA C 22 57.190 56.695 0.495 1
1 126 . 12 1 1 A 22 22 PHE HA H 22 4.803 5.104 -0.301 1
1 127 . 12 1 1 A 22 22 PHE CB C 22 43.726 40.841 2.885 1
1 140 . 12 1 1 A 22 22 PHE C C 22 175.623 176.077 -0.454 1
1 141 . 12 1 1 A 23 23 THR CA C 23 64.469 66.911 -2.442 1
1 142 . 12 1 1 A 23 23 THR HA H 23 4.405 4.078 0.327 1
1 143 . 12 1 1 A 23 23 THR CB C 23 69.258 69.047 0.211 1
1 149 . 12 1 1 A 23 23 THR C C 23 174.733 175.314 -0.581 1
1 150 . 12 1 1 A 24 24 LEU N N 24 118.621 119.200 -0.579 1
1 151 . 12 1 1 A 24 24 LEU H H 24 7.397 8.118 -0.721 1
1 152 . 12 1 1 A 24 24 LEU CA C 24 52.956 54.256 -1.300 1
1 153 . 12 1 1 A 24 24 LEU HA H 24 4.672 4.532 0.140 1
1 154 . 12 1 1 A 24 24 LEU CB C 24 44.907 42.608 2.299 1
1 167 . 12 1 1 A 24 24 LEU C C 24 177.120 177.560 -0.440 1
1 168 . 12 1 1 A 25 25 LYS N N 25 125.592 124.674 0.918 1
1 169 . 12 1 1 A 25 25 LYS H H 25 8.555 8.810 -0.255 1
1 170 . 12 1 1 A 25 25 LYS CA C 25 59.139 59.645 -0.506 1
1 171 . 12 1 1 A 25 25 LYS HA H 25 3.201 3.057 0.144 1
1 172 . 12 1 1 A 25 25 LYS CB C 25 31.829 31.689 0.140 1
1 184 . 12 1 1 A 25 25 LYS C C 25 178.110 177.943 0.167 1
1 185 . 12 1 1 A 26 26 SER CA C 26 60.759 61.558 -0.799 1
1 186 . 12 1 1 A 26 26 SER HA H 26 4.034 4.124 -0.090 1
1 187 . 12 1 1 A 26 26 SER CB C 26 61.446 62.514 -1.068 1
1 190 . 12 1 1 A 26 26 SER C C 26 177.426 177.231 0.195 1
1 191 . 12 1 1 A 27 27 HIS N N 27 121.342 118.621 2.721 1
1 192 . 12 1 1 A 27 27 HIS H H 27 6.706 7.792 -1.086 1
1 193 . 12 1 1 A 27 27 HIS CA C 27 57.237 58.926 -1.689 1
1 194 . 12 1 1 A 27 27 HIS HA H 27 4.420 4.195 0.225 1
1 195 . 12 1 1 A 27 27 HIS CB C 27 31.574 30.190 1.384 1
1 202 . 12 1 1 A 27 27 HIS C C 27 178.457 177.041 1.416 1
1 203 . 12 1 1 A 28 28 LEU N N 28 122.540 120.383 2.157 1
1 204 . 12 1 1 A 28 28 LEU H H 28 7.190 7.744 -0.554 1
1 205 . 12 1 1 A 28 28 LEU CA C 28 57.976 57.867 0.109 1
1 206 . 12 1 1 A 28 28 LEU HA H 28 3.191 2.967 0.224 1
1 207 . 12 1 1 A 28 28 LEU CB C 28 40.034 41.532 -1.498 1
1 220 . 12 1 1 A 28 28 LEU C C 28 177.619 178.155 -0.536 1
1 221 . 12 1 1 A 29 29 ASN N N 29 117.886 117.165 0.721 1
1 222 . 12 1 1 A 29 29 ASN H H 29 8.500 8.197 0.303 1
1 223 . 12 1 1 A 29 29 ASN CA C 29 56.124 56.466 -0.342 1
1 224 . 12 1 1 A 29 29 ASN HA H 29 4.427 4.319 0.108 1
1 225 . 12 1 1 A 29 29 ASN CB C 29 37.934 39.355 -1.421 1
1 231 . 12 1 1 A 29 29 ASN C C 29 178.015 178.044 -0.029 1
1 232 . 12 1 1 A 30 30 GLN N N 30 118.146 119.096 -0.950 1
1 233 . 12 1 1 A 30 30 GLN H H 30 7.682 8.360 -0.678 1
1 234 . 12 1 1 A 30 30 GLN CA C 30 58.640 58.231 0.409 1
1 235 . 12 1 1 A 30 30 GLN HA H 30 3.961 4.052 -0.091 1
1 236 . 12 1 1 A 30 30 GLN CB C 30 28.485 28.560 -0.075 1
1 245 . 12 1 1 A 30 30 GLN C C 30 178.333 178.132 0.201 1
1 246 . 12 1 1 A 31 31 HIS N N 31 119.699 119.686 0.013 1
1 247 . 12 1 1 A 31 31 HIS H H 31 7.693 7.898 -0.205 1
1 248 . 12 1 1 A 31 31 HIS CA C 31 58.923 59.371 -0.448 1
1 249 . 12 1 1 A 31 31 HIS HA H 31 4.181 4.106 0.075 1
1 250 . 12 1 1 A 31 31 HIS CB C 31 28.433 29.537 -1.104 1
1 257 . 12 1 1 A 31 31 HIS C C 31 176.132 177.182 -1.050 1
1 258 . 12 1 1 A 32 32 GLN N N 32 115.052 118.268 -3.216 1
1 259 . 12 1 1 A 32 32 GLN H H 32 8.305 8.579 -0.274 1
1 260 . 12 1 1 A 32 32 GLN CA C 32 59.218 58.913 0.305 1
1 261 . 12 1 1 A 32 32 GLN HA H 32 3.660 3.787 -0.127 1
1 262 . 12 1 1 A 32 32 GLN CB C 32 28.322 28.363 -0.041 1
1 271 . 12 1 1 A 32 32 GLN C C 32 177.230 178.583 -1.353 1
1 272 . 12 1 1 A 33 33 ARG N N 33 117.232 119.341 -2.109 1
1 273 . 12 1 1 A 33 33 ARG H H 33 7.068 7.516 -0.448 1
1 274 . 12 1 1 A 33 33 ARG CA C 33 58.313 58.524 -0.211 1
1 275 . 12 1 1 A 33 33 ARG HA H 33 4.101 4.003 0.098 1
1 276 . 12 1 1 A 33 33 ARG CB C 33 29.942 29.741 0.201 1
1 285 . 12 1 1 A 33 33 ARG C C 33 178.473 178.833 -0.360 1
1 286 . 12 1 1 A 34 34 ILE N N 34 116.070 115.644 0.426 1
1 287 . 12 1 1 A 34 34 ILE H H 34 7.787 7.506 0.281 1
1 288 . 12 1 1 A 34 34 ILE CA C 34 62.914 64.129 -1.215 1
1 289 . 12 1 1 A 34 34 ILE HA H 34 3.973 3.737 0.236 1
1 290 . 12 1 1 A 34 34 ILE CB C 34 37.629 37.037 0.592 1
1 303 . 12 1 1 A 34 34 ILE C C 34 177.355 176.579 0.776 1
1 304 . 12 1 1 A 35 35 HIS N N 35 117.906 119.891 -1.985 1
1 305 . 12 1 1 A 35 35 HIS H H 35 7.208 7.667 -0.459 1
1 306 . 12 1 1 A 35 35 HIS CA C 35 55.220 56.288 -1.068 1
1 307 . 12 1 1 A 35 35 HIS HA H 35 4.832 4.639 0.193 1
1 308 . 12 1 1 A 35 35 HIS CB C 35 28.533 29.148 -0.615 1
1 315 . 12 1 1 A 35 35 HIS C C 35 175.765 175.857 -0.092 1
1 316 . 12 1 1 A 36 36 THR N N 36 111.781 114.871 -3.090 1
1 317 . 12 1 1 A 36 36 THR H H 36 7.764 7.206 0.558 1
1 318 . 12 1 1 A 36 36 THR CA C 36 62.457 65.245 -2.788 1
1 319 . 12 1 1 A 36 36 THR HA H 36 4.330 3.957 0.373 1
1 320 . 12 1 1 A 36 36 THR CB C 36 69.813 68.924 0.889 1
1 326 . 12 1 1 A 36 36 THR C C 36 175.440 175.429 0.011 1
1 327 . 12 1 1 A 37 37 GLY N N 37 110.636 107.908 2.728 1
1 328 . 12 1 1 A 37 37 GLY H H 37 8.211 7.951 0.260 1
1 329 . 12 1 1 A 37 37 GLY CA C 37 45.325 45.260 0.065 1
1 330 . 12 1 1 A 37 37 GLY HA2 H 37 3.923 4.075 -0.152 1
1 331 . 12 1 1 A 37 37 GLY HA3 H 37 4.004 4.082 -0.078 1
1 332 . 12 1 1 A 37 37 GLY C C 37 174.040 173.089 0.951 1
1 333 . 12 1 1 A 38 38 GLU N N 38 120.567 122.908 -2.341 1
1 334 . 12 1 1 A 38 38 GLU H H 38 8.073 8.390 -0.317 1
1 335 . 12 1 1 A 38 38 GLU CA C 38 56.418 56.110 0.308 1
1 336 . 12 1 1 A 38 38 GLU HA H 38 4.217 4.438 -0.221 1
1 337 . 12 1 1 A 38 38 GLU CB C 38 30.522 30.657 -0.135 1
1 343 . 12 1 1 A 38 38 GLU C C 38 176.215 175.636 0.579 1
1 344 . 12 1 1 A 39 39 LYS N N 39 123.787 126.823 -3.036 1
1 345 . 12 1 1 A 39 39 LYS H H 39 8.387 8.506 -0.119 1
1 346 . 12 1 1 A 39 39 LYS CA C 39 54.102 53.186 0.916 1
1 347 . 12 1 1 A 39 39 LYS HA H 39 4.575 4.857 -0.282 1
1 348 . 12 1 1 A 39 39 LYS CB C 39 32.422 35.070 -2.648 1
1 359 . 12 1 1 A 39 39 LYS C C 39 174.478 174.876 -0.398 1
1 360 . 12 1 1 A 40 40 PRO CA C 40 63.208 62.719 0.489 1
1 361 . 12 1 1 A 40 40 PRO HA H 40 4.440 4.528 -0.088 1
1 362 . 12 1 1 A 40 40 PRO CB C 40 32.147 32.063 0.084 1
1 371 . 12 1 1 A 43 43 PRO CA C 43 63.124 62.743 0.381 1
1 372 . 12 1 1 A 43 43 PRO HA H 43 4.417 4.726 -0.309 1
1 373 . 12 1 1 A 43 43 PRO CB C 43 32.161 31.482 0.679 1
1 382 . 12 1 1 A 45 45 SER CA C 45 58.357 59.052 -0.695 1
1 383 . 12 1 1 A 45 45 SER HA H 45 4.478 4.159 0.319 1
1 384 . 12 1 1 A 45 45 SER CB C 45 63.886 61.044 2.842 1
1 387 . 12 1 1 A 45 45 SER C C 45 173.890 173.656 0.234 1
1 1 . 13 1 1 A 10 10 THR CA C 10 62.043 64.348 -2.305 1
1 2 . 13 1 1 A 10 10 THR HA H 10 4.275 4.067 0.208 1
1 3 . 13 1 1 A 10 10 THR CB C 10 69.619 68.971 0.648 1
1 9 . 13 1 1 A 10 10 THR C C 10 174.384 174.637 -0.253 1
1 10 . 13 1 1 A 11 11 LYS N N 11 124.060 127.415 -3.355 1
1 11 . 13 1 1 A 11 11 LYS H H 11 8.302 8.555 -0.253 1
1 12 . 13 1 1 A 11 11 LYS CA C 11 55.798 54.982 0.816 1
1 13 . 13 1 1 A 11 11 LYS HA H 11 4.240 5.007 -0.767 1
1 14 . 13 1 1 A 11 11 LYS CB C 11 32.582 35.889 -3.307 1
1 25 . 13 1 1 A 11 11 LYS C C 11 175.995 175.808 0.187 1
1 26 . 13 1 1 A 12 12 SER N N 12 116.110 119.883 -3.773 1
1 27 . 13 1 1 A 12 12 SER H H 12 7.977 8.575 -0.598 1
1 28 . 13 1 1 A 12 12 SER CA C 12 58.636 59.472 -0.836 1
1 29 . 13 1 1 A 12 12 SER HA H 12 4.260 4.352 -0.092 1
1 30 . 13 1 1 A 12 12 SER CB C 12 64.029 65.085 -1.056 1
1 33 . 13 1 1 A 12 12 SER C C 12 173.332 172.612 0.720 1
1 34 . 13 1 1 A 13 13 HIS N N 13 122.195 116.024 6.171 1
1 35 . 13 1 1 A 13 13 HIS H H 13 8.407 7.839 0.568 1
1 36 . 13 1 1 A 13 13 HIS CA C 13 55.603 54.950 0.653 1
1 37 . 13 1 1 A 13 13 HIS HA H 13 4.625 5.349 -0.724 1
1 38 . 13 1 1 A 13 13 HIS CB C 13 31.227 33.568 -2.341 1
1 45 . 13 1 1 A 13 13 HIS C C 13 174.550 173.599 0.951 1
1 46 . 13 1 1 A 14 14 GLN N N 14 123.997 121.207 2.790 1
1 47 . 13 1 1 A 14 14 GLN H H 14 8.662 8.955 -0.293 1
1 48 . 13 1 1 A 14 14 GLN CA C 14 54.912 53.912 1.000 1
1 49 . 13 1 1 A 14 14 GLN HA H 14 4.909 5.316 -0.407 1
1 50 . 13 1 1 A 14 14 GLN CB C 14 31.614 32.319 -0.705 1
1 59 . 13 1 1 A 14 14 GLN C C 14 174.837 174.521 0.316 1
1 60 . 13 1 1 A 15 15 CYS N N 15 126.364 124.331 2.033 1
1 61 . 13 1 1 A 15 15 CYS H H 15 9.186 9.252 -0.066 1
1 62 . 13 1 1 A 15 15 CYS CA C 15 59.390 59.282 0.108 1
1 63 . 13 1 1 A 15 15 CYS HA H 15 4.532 4.671 -0.139 1
1 64 . 13 1 1 A 15 15 CYS CB C 15 29.575 28.917 0.658 1
1 67 . 13 1 1 A 15 15 CYS C C 15 177.214 175.073 2.141 1
1 68 . 13 1 1 A 16 16 HIS CA C 16 58.476 56.746 1.730 1
1 69 . 13 1 1 A 16 16 HIS HA H 16 4.471 4.625 -0.154 1
1 70 . 13 1 1 A 16 16 HIS CB C 16 29.832 31.309 -1.477 1
1 77 . 13 1 1 A 16 16 HIS C C 16 175.596 176.708 -1.112 1
1 78 . 13 1 1 A 17 17 GLU N N 17 120.837 119.538 1.299 1
1 79 . 13 1 1 A 17 17 GLU H H 17 8.472 7.959 0.513 1
1 80 . 13 1 1 A 17 17 GLU CA C 17 58.401 58.864 -0.463 1
1 81 . 13 1 1 A 17 17 GLU HA H 17 4.121 4.003 0.118 1
1 82 . 13 1 1 A 17 17 GLU CB C 17 29.314 29.365 -0.051 1
1 88 . 13 1 1 A 17 17 GLU C C 17 177.130 177.878 -0.748 1
1 89 . 13 1 1 A 18 18 CYS N N 18 114.120 114.990 -0.870 1
1 90 . 13 1 1 A 18 18 CYS H H 18 7.802 7.865 -0.063 1
1 91 . 13 1 1 A 18 18 CYS CA C 18 58.221 59.228 -1.007 1
1 92 . 13 1 1 A 18 18 CYS HA H 18 5.117 4.667 0.450 1
1 93 . 13 1 1 A 18 18 CYS CB C 18 32.389 30.385 2.004 1
1 96 . 13 1 1 A 18 18 CYS C C 18 176.179 175.753 0.426 1
1 97 . 13 1 1 A 19 19 GLY N N 19 113.325 110.564 2.761 1
1 98 . 13 1 1 A 19 19 GLY H H 19 8.099 8.263 -0.164 1
1 99 . 13 1 1 A 19 19 GLY CA C 19 46.177 45.465 0.712 1
1 100 . 13 1 1 A 19 19 GLY HA2 H 19 3.804 3.941 -0.137 1
1 101 . 13 1 1 A 19 19 GLY HA3 H 19 4.212 3.962 0.250 1
1 102 . 13 1 1 A 19 19 GLY C C 19 173.985 174.314 -0.329 1
1 103 . 13 1 1 A 20 20 ARG N N 20 122.410 119.201 3.209 1
1 104 . 13 1 1 A 20 20 ARG H H 20 7.910 7.794 0.116 1
1 105 . 13 1 1 A 20 20 ARG CA C 20 57.691 54.910 2.781 1
1 106 . 13 1 1 A 20 20 ARG HA H 20 3.970 4.461 -0.491 1
1 107 . 13 1 1 A 20 20 ARG CB C 20 31.437 31.955 -0.518 1
1 116 . 13 1 1 A 20 20 ARG C C 20 174.491 175.524 -1.033 1
1 117 . 13 1 1 A 21 21 GLY N N 21 108.663 107.547 1.116 1
1 118 . 13 1 1 A 21 21 GLY H H 21 8.053 8.078 -0.025 1
1 119 . 13 1 1 A 21 21 GLY CA C 21 43.942 44.070 -0.128 1
1 120 . 13 1 1 A 21 21 GLY HA2 H 21 3.349 4.129 -0.780 1
1 121 . 13 1 1 A 21 21 GLY HA3 H 21 4.767 4.191 0.576 1
1 122 . 13 1 1 A 21 21 GLY C C 21 172.522 171.542 0.980 1
1 123 . 13 1 1 A 22 22 PHE N N 22 117.603 122.707 -5.104 1
1 124 . 13 1 1 A 22 22 PHE H H 22 8.383 9.263 -0.880 1
1 125 . 13 1 1 A 22 22 PHE CA C 22 57.190 56.469 0.721 1
1 126 . 13 1 1 A 22 22 PHE HA H 22 4.803 4.946 -0.143 1
1 127 . 13 1 1 A 22 22 PHE CB C 22 43.726 42.385 1.341 1
1 140 . 13 1 1 A 22 22 PHE C C 22 175.623 176.189 -0.566 1
1 141 . 13 1 1 A 23 23 THR CA C 23 64.469 65.927 -1.458 1
1 142 . 13 1 1 A 23 23 THR HA H 23 4.405 4.179 0.226 1
1 143 . 13 1 1 A 23 23 THR CB C 23 69.258 68.870 0.388 1
1 149 . 13 1 1 A 23 23 THR C C 23 174.733 175.183 -0.450 1
1 150 . 13 1 1 A 24 24 LEU N N 24 118.621 122.410 -3.789 1
1 151 . 13 1 1 A 24 24 LEU H H 24 7.397 8.213 -0.816 1
1 152 . 13 1 1 A 24 24 LEU CA C 24 52.956 54.218 -1.262 1
1 153 . 13 1 1 A 24 24 LEU HA H 24 4.672 4.529 0.143 1
1 154 . 13 1 1 A 24 24 LEU CB C 24 44.907 42.675 2.232 1
1 167 . 13 1 1 A 24 24 LEU C C 24 177.120 177.630 -0.510 1
1 168 . 13 1 1 A 25 25 LYS N N 25 125.592 125.388 0.204 1
1 169 . 13 1 1 A 25 25 LYS H H 25 8.555 8.978 -0.423 1
1 170 . 13 1 1 A 25 25 LYS CA C 25 59.139 59.767 -0.628 1
1 171 . 13 1 1 A 25 25 LYS HA H 25 3.201 3.215 -0.014 1
1 172 . 13 1 1 A 25 25 LYS CB C 25 31.829 31.600 0.229 1
1 184 . 13 1 1 A 25 25 LYS C C 25 178.110 177.975 0.135 1
1 185 . 13 1 1 A 26 26 SER CA C 26 60.759 61.242 -0.483 1
1 186 . 13 1 1 A 26 26 SER HA H 26 4.034 4.122 -0.088 1
1 187 . 13 1 1 A 26 26 SER CB C 26 61.446 62.113 -0.667 1
1 190 . 13 1 1 A 26 26 SER C C 26 177.426 177.313 0.113 1
1 191 . 13 1 1 A 27 27 HIS N N 27 121.342 118.638 2.704 1
1 192 . 13 1 1 A 27 27 HIS H H 27 6.706 7.799 -1.093 1
1 193 . 13 1 1 A 27 27 HIS CA C 27 57.237 58.767 -1.530 1
1 194 . 13 1 1 A 27 27 HIS HA H 27 4.420 4.184 0.236 1
1 195 . 13 1 1 A 27 27 HIS CB C 27 31.574 29.990 1.584 1
1 202 . 13 1 1 A 27 27 HIS C C 27 178.457 177.028 1.429 1
1 203 . 13 1 1 A 28 28 LEU N N 28 122.540 120.339 2.201 1
1 204 . 13 1 1 A 28 28 LEU H H 28 7.190 7.555 -0.365 1
1 205 . 13 1 1 A 28 28 LEU CA C 28 57.976 57.959 0.017 1
1 206 . 13 1 1 A 28 28 LEU HA H 28 3.191 2.996 0.195 1
1 207 . 13 1 1 A 28 28 LEU CB C 28 40.034 41.260 -1.226 1
1 220 . 13 1 1 A 28 28 LEU C C 28 177.619 178.259 -0.640 1
1 221 . 13 1 1 A 29 29 ASN N N 29 117.886 117.107 0.779 1
1 222 . 13 1 1 A 29 29 ASN H H 29 8.500 8.289 0.211 1
1 223 . 13 1 1 A 29 29 ASN CA C 29 56.124 56.668 -0.544 1
1 224 . 13 1 1 A 29 29 ASN HA H 29 4.427 4.309 0.118 1
1 225 . 13 1 1 A 29 29 ASN CB C 29 37.934 39.456 -1.522 1
1 231 . 13 1 1 A 29 29 ASN C C 29 178.015 177.909 0.106 1
1 232 . 13 1 1 A 30 30 GLN N N 30 118.146 119.115 -0.969 1
1 233 . 13 1 1 A 30 30 GLN H H 30 7.682 8.323 -0.641 1
1 234 . 13 1 1 A 30 30 GLN CA C 30 58.640 57.891 0.749 1
1 235 . 13 1 1 A 30 30 GLN HA H 30 3.961 4.087 -0.126 1
1 236 . 13 1 1 A 30 30 GLN CB C 30 28.485 28.492 -0.007 1
1 245 . 13 1 1 A 30 30 GLN C C 30 178.333 178.065 0.268 1
1 246 . 13 1 1 A 31 31 HIS N N 31 119.699 119.536 0.163 1
1 247 . 13 1 1 A 31 31 HIS H H 31 7.693 7.972 -0.279 1
1 248 . 13 1 1 A 31 31 HIS CA C 31 58.923 59.094 -0.171 1
1 249 . 13 1 1 A 31 31 HIS HA H 31 4.181 4.108 0.073 1
1 250 . 13 1 1 A 31 31 HIS CB C 31 28.433 29.771 -1.338 1
1 257 . 13 1 1 A 31 31 HIS C C 31 176.132 177.161 -1.029 1
1 258 . 13 1 1 A 32 32 GLN N N 32 115.052 118.804 -3.752 1
1 259 . 13 1 1 A 32 32 GLN H H 32 8.305 8.525 -0.220 1
1 260 . 13 1 1 A 32 32 GLN CA C 32 59.218 58.316 0.902 1
1 261 . 13 1 1 A 32 32 GLN HA H 32 3.660 4.087 -0.427 1
1 262 . 13 1 1 A 32 32 GLN CB C 32 28.322 28.542 -0.220 1
1 271 . 13 1 1 A 32 32 GLN C C 32 177.230 177.817 -0.587 1
1 272 . 13 1 1 A 33 33 ARG N N 33 117.232 118.701 -1.469 1
1 273 . 13 1 1 A 33 33 ARG H H 33 7.068 7.997 -0.929 1
1 274 . 13 1 1 A 33 33 ARG CA C 33 58.313 58.168 0.145 1
1 275 . 13 1 1 A 33 33 ARG HA H 33 4.101 4.300 -0.199 1
1 276 . 13 1 1 A 33 33 ARG CB C 33 29.942 30.217 -0.275 1
1 285 . 13 1 1 A 33 33 ARG C C 33 178.473 178.260 0.213 1
1 286 . 13 1 1 A 34 34 ILE N N 34 116.070 115.155 0.915 1
1 287 . 13 1 1 A 34 34 ILE H H 34 7.787 7.541 0.246 1
1 288 . 13 1 1 A 34 34 ILE CA C 34 62.914 63.059 -0.145 1
1 289 . 13 1 1 A 34 34 ILE HA H 34 3.973 3.802 0.171 1
1 290 . 13 1 1 A 34 34 ILE CB C 34 37.629 36.941 0.688 1
1 303 . 13 1 1 A 34 34 ILE C C 34 177.355 176.413 0.942 1
1 304 . 13 1 1 A 35 35 HIS N N 35 117.906 119.008 -1.102 1
1 305 . 13 1 1 A 35 35 HIS H H 35 7.208 7.763 -0.555 1
1 306 . 13 1 1 A 35 35 HIS CA C 35 55.220 56.961 -1.741 1
1 307 . 13 1 1 A 35 35 HIS HA H 35 4.832 4.673 0.159 1
1 308 . 13 1 1 A 35 35 HIS CB C 35 28.533 31.541 -3.008 1
1 315 . 13 1 1 A 35 35 HIS C C 35 175.765 175.162 0.603 1
1 316 . 13 1 1 A 36 36 THR N N 36 111.781 111.766 0.015 1
1 317 . 13 1 1 A 36 36 THR H H 36 7.764 7.430 0.334 1
1 318 . 13 1 1 A 36 36 THR CA C 36 62.457 63.396 -0.939 1
1 319 . 13 1 1 A 36 36 THR HA H 36 4.330 4.139 0.191 1
1 320 . 13 1 1 A 36 36 THR CB C 36 69.813 68.351 1.462 1
1 326 . 13 1 1 A 36 36 THR C C 36 175.440 174.551 0.889 1
1 327 . 13 1 1 A 37 37 GLY N N 37 110.636 111.609 -0.973 1
1 328 . 13 1 1 A 37 37 GLY H H 37 8.211 8.601 -0.390 1
1 329 . 13 1 1 A 37 37 GLY CA C 37 45.325 44.089 1.236 1
1 330 . 13 1 1 A 37 37 GLY HA2 H 37 3.923 4.060 -0.137 1
1 331 . 13 1 1 A 37 37 GLY HA3 H 37 4.004 4.064 -0.060 1
1 332 . 13 1 1 A 37 37 GLY C C 37 174.040 173.127 0.913 1
1 333 . 13 1 1 A 38 38 GLU N N 38 120.567 122.974 -2.407 1
1 334 . 13 1 1 A 38 38 GLU H H 38 8.073 8.402 -0.329 1
1 335 . 13 1 1 A 38 38 GLU CA C 38 56.418 56.238 0.180 1
1 336 . 13 1 1 A 38 38 GLU HA H 38 4.217 4.496 -0.279 1
1 337 . 13 1 1 A 38 38 GLU CB C 38 30.522 31.069 -0.547 1
1 343 . 13 1 1 A 38 38 GLU C C 38 176.215 175.840 0.375 1
1 344 . 13 1 1 A 39 39 LYS N N 39 123.787 124.204 -0.417 1
1 345 . 13 1 1 A 39 39 LYS H H 39 8.387 8.551 -0.164 1
1 346 . 13 1 1 A 39 39 LYS CA C 39 54.102 53.875 0.227 1
1 347 . 13 1 1 A 39 39 LYS HA H 39 4.575 4.989 -0.414 1
1 348 . 13 1 1 A 39 39 LYS CB C 39 32.422 33.760 -1.338 1
1 359 . 13 1 1 A 39 39 LYS C C 39 174.478 175.914 -1.436 1
1 360 . 13 1 1 A 40 40 PRO CA C 40 63.208 64.011 -0.803 1
1 361 . 13 1 1 A 40 40 PRO HA H 40 4.440 4.582 -0.142 1
1 362 . 13 1 1 A 40 40 PRO CB C 40 32.147 31.794 0.353 1
1 371 . 13 1 1 A 43 43 PRO CA C 43 63.124 62.715 0.409 1
1 372 . 13 1 1 A 43 43 PRO HA H 43 4.417 4.612 -0.195 1
1 373 . 13 1 1 A 43 43 PRO CB C 43 32.161 32.546 -0.385 1
1 382 . 13 1 1 A 45 45 SER CA C 45 58.357 56.526 1.831 1
1 383 . 13 1 1 A 45 45 SER HA H 45 4.478 5.097 -0.619 1
1 384 . 13 1 1 A 45 45 SER CB C 45 63.886 66.690 -2.804 1
1 387 . 13 1 1 A 45 45 SER C C 45 173.890 175.265 -1.375 1
1 1 . 14 1 1 A 10 10 THR CA C 10 62.043 59.577 2.466 1
1 2 . 14 1 1 A 10 10 THR HA H 10 4.275 4.922 -0.647 1
1 3 . 14 1 1 A 10 10 THR CB C 10 69.619 71.911 -2.292 1
1 9 . 14 1 1 A 10 10 THR C C 10 174.384 173.266 1.118 1
1 10 . 14 1 1 A 11 11 LYS N N 11 124.060 118.320 5.740 1
1 11 . 14 1 1 A 11 11 LYS H H 11 8.302 8.764 -0.462 1
1 12 . 14 1 1 A 11 11 LYS CA C 11 55.798 54.507 1.291 1
1 13 . 14 1 1 A 11 11 LYS HA H 11 4.240 5.007 -0.767 1
1 14 . 14 1 1 A 11 11 LYS CB C 11 32.582 35.956 -3.374 1
1 25 . 14 1 1 A 11 11 LYS C C 11 175.995 175.920 0.075 1
1 26 . 14 1 1 A 12 12 SER N N 12 116.110 114.218 1.892 1
1 27 . 14 1 1 A 12 12 SER H H 12 7.977 8.856 -0.879 1
1 28 . 14 1 1 A 12 12 SER CA C 12 58.636 60.133 -1.497 1
1 29 . 14 1 1 A 12 12 SER HA H 12 4.260 4.370 -0.110 1
1 30 . 14 1 1 A 12 12 SER CB C 12 64.029 63.272 0.757 1
1 33 . 14 1 1 A 12 12 SER C C 12 173.332 172.885 0.447 1
1 34 . 14 1 1 A 13 13 HIS N N 13 122.195 116.333 5.862 1
1 35 . 14 1 1 A 13 13 HIS H H 13 8.407 7.298 1.109 1
1 36 . 14 1 1 A 13 13 HIS CA C 13 55.603 54.741 0.862 1
1 37 . 14 1 1 A 13 13 HIS HA H 13 4.625 5.262 -0.637 1
1 38 . 14 1 1 A 13 13 HIS CB C 13 31.227 32.179 -0.952 1
1 45 . 14 1 1 A 13 13 HIS C C 13 174.550 173.817 0.733 1
1 46 . 14 1 1 A 14 14 GLN N N 14 123.997 123.126 0.871 1
1 47 . 14 1 1 A 14 14 GLN H H 14 8.662 9.151 -0.489 1
1 48 . 14 1 1 A 14 14 GLN CA C 14 54.912 53.942 0.970 1
1 49 . 14 1 1 A 14 14 GLN HA H 14 4.909 5.334 -0.425 1
1 50 . 14 1 1 A 14 14 GLN CB C 14 31.614 32.522 -0.908 1
1 59 . 14 1 1 A 14 14 GLN C C 14 174.837 175.147 -0.310 1
1 60 . 14 1 1 A 15 15 CYS N N 15 126.364 125.371 0.993 1
1 61 . 14 1 1 A 15 15 CYS H H 15 9.186 8.917 0.269 1
1 62 . 14 1 1 A 15 15 CYS CA C 15 59.390 59.812 -0.422 1
1 63 . 14 1 1 A 15 15 CYS HA H 15 4.532 4.712 -0.180 1
1 64 . 14 1 1 A 15 15 CYS CB C 15 29.575 28.646 0.929 1
1 67 . 14 1 1 A 15 15 CYS C C 15 177.214 174.945 2.269 1
1 68 . 14 1 1 A 16 16 HIS CA C 16 58.476 57.663 0.813 1
1 69 . 14 1 1 A 16 16 HIS HA H 16 4.471 4.622 -0.151 1
1 70 . 14 1 1 A 16 16 HIS CB C 16 29.832 31.392 -1.560 1
1 77 . 14 1 1 A 16 16 HIS C C 16 175.596 177.193 -1.597 1
1 78 . 14 1 1 A 17 17 GLU N N 17 120.837 117.916 2.921 1
1 79 . 14 1 1 A 17 17 GLU H H 17 8.472 7.896 0.576 1
1 80 . 14 1 1 A 17 17 GLU CA C 17 58.401 58.620 -0.219 1
1 81 . 14 1 1 A 17 17 GLU HA H 17 4.121 3.877 0.244 1
1 82 . 14 1 1 A 17 17 GLU CB C 17 29.314 29.467 -0.153 1
1 88 . 14 1 1 A 17 17 GLU C C 17 177.130 177.711 -0.581 1
1 89 . 14 1 1 A 18 18 CYS N N 18 114.120 114.959 -0.839 1
1 90 . 14 1 1 A 18 18 CYS H H 18 7.802 7.831 -0.029 1
1 91 . 14 1 1 A 18 18 CYS CA C 18 58.221 59.218 -0.997 1
1 92 . 14 1 1 A 18 18 CYS HA H 18 5.117 4.656 0.461 1
1 93 . 14 1 1 A 18 18 CYS CB C 18 32.389 30.501 1.888 1
1 96 . 14 1 1 A 18 18 CYS C C 18 176.179 175.852 0.327 1
1 97 . 14 1 1 A 19 19 GLY N N 19 113.325 110.243 3.082 1
1 98 . 14 1 1 A 19 19 GLY H H 19 8.099 8.421 -0.322 1
1 99 . 14 1 1 A 19 19 GLY CA C 19 46.177 46.367 -0.190 1
1 100 . 14 1 1 A 19 19 GLY HA2 H 19 3.804 3.968 -0.164 1
1 101 . 14 1 1 A 19 19 GLY HA3 H 19 4.212 4.000 0.212 1
1 102 . 14 1 1 A 19 19 GLY C C 19 173.985 174.422 -0.437 1
1 103 . 14 1 1 A 20 20 ARG N N 20 122.410 119.278 3.132 1
1 104 . 14 1 1 A 20 20 ARG H H 20 7.910 7.975 -0.065 1
1 105 . 14 1 1 A 20 20 ARG CA C 20 57.691 54.685 3.006 1
1 106 . 14 1 1 A 20 20 ARG HA H 20 3.970 4.580 -0.610 1
1 107 . 14 1 1 A 20 20 ARG CB C 20 31.437 31.975 -0.538 1
1 116 . 14 1 1 A 20 20 ARG C C 20 174.491 175.316 -0.825 1
1 117 . 14 1 1 A 21 21 GLY N N 21 108.663 107.534 1.129 1
1 118 . 14 1 1 A 21 21 GLY H H 21 8.053 8.237 -0.184 1
1 119 . 14 1 1 A 21 21 GLY CA C 21 43.942 44.244 -0.302 1
1 120 . 14 1 1 A 21 21 GLY HA2 H 21 3.349 4.117 -0.768 1
1 121 . 14 1 1 A 21 21 GLY HA3 H 21 4.767 4.185 0.582 1
1 122 . 14 1 1 A 21 21 GLY C C 21 172.522 171.714 0.808 1
1 123 . 14 1 1 A 22 22 PHE N N 22 117.603 124.223 -6.620 1
1 124 . 14 1 1 A 22 22 PHE H H 22 8.383 8.936 -0.553 1
1 125 . 14 1 1 A 22 22 PHE CA C 22 57.190 56.896 0.294 1
1 126 . 14 1 1 A 22 22 PHE HA H 22 4.803 5.042 -0.239 1
1 127 . 14 1 1 A 22 22 PHE CB C 22 43.726 41.698 2.028 1
1 140 . 14 1 1 A 22 22 PHE C C 22 175.623 175.975 -0.352 1
1 141 . 14 1 1 A 23 23 THR CA C 23 64.469 66.280 -1.811 1
1 142 . 14 1 1 A 23 23 THR HA H 23 4.405 4.260 0.145 1
1 143 . 14 1 1 A 23 23 THR CB C 23 69.258 69.198 0.060 1
1 149 . 14 1 1 A 23 23 THR C C 23 174.733 175.218 -0.485 1
1 150 . 14 1 1 A 24 24 LEU N N 24 118.621 119.203 -0.582 1
1 151 . 14 1 1 A 24 24 LEU H H 24 7.397 8.236 -0.839 1
1 152 . 14 1 1 A 24 24 LEU CA C 24 52.956 54.069 -1.113 1
1 153 . 14 1 1 A 24 24 LEU HA H 24 4.672 4.562 0.110 1
1 154 . 14 1 1 A 24 24 LEU CB C 24 44.907 42.234 2.673 1
1 167 . 14 1 1 A 24 24 LEU C C 24 177.120 177.266 -0.146 1
1 168 . 14 1 1 A 25 25 LYS N N 25 125.592 127.368 -1.776 1
1 169 . 14 1 1 A 25 25 LYS H H 25 8.555 9.046 -0.491 1
1 170 . 14 1 1 A 25 25 LYS CA C 25 59.139 59.887 -0.748 1
1 171 . 14 1 1 A 25 25 LYS HA H 25 3.201 3.401 -0.200 1
1 172 . 14 1 1 A 25 25 LYS CB C 25 31.829 31.980 -0.151 1
1 184 . 14 1 1 A 25 25 LYS C C 25 178.110 177.956 0.154 1
1 185 . 14 1 1 A 26 26 SER CA C 26 60.759 61.378 -0.619 1
1 186 . 14 1 1 A 26 26 SER HA H 26 4.034 4.152 -0.118 1
1 187 . 14 1 1 A 26 26 SER CB C 26 61.446 62.456 -1.010 1
1 190 . 14 1 1 A 26 26 SER C C 26 177.426 177.012 0.414 1
1 191 . 14 1 1 A 27 27 HIS N N 27 121.342 118.657 2.685 1
1 192 . 14 1 1 A 27 27 HIS H H 27 6.706 8.072 -1.366 1
1 193 . 14 1 1 A 27 27 HIS CA C 27 57.237 59.215 -1.978 1
1 194 . 14 1 1 A 27 27 HIS HA H 27 4.420 4.119 0.301 1
1 195 . 14 1 1 A 27 27 HIS CB C 27 31.574 29.978 1.596 1
1 202 . 14 1 1 A 27 27 HIS C C 27 178.457 177.031 1.426 1
1 203 . 14 1 1 A 28 28 LEU N N 28 122.540 120.158 2.382 1
1 204 . 14 1 1 A 28 28 LEU H H 28 7.190 7.574 -0.384 1
1 205 . 14 1 1 A 28 28 LEU CA C 28 57.976 57.683 0.293 1
1 206 . 14 1 1 A 28 28 LEU HA H 28 3.191 2.592 0.599 1
1 207 . 14 1 1 A 28 28 LEU CB C 28 40.034 41.303 -1.269 1
1 220 . 14 1 1 A 28 28 LEU C C 28 177.619 178.187 -0.568 1
1 221 . 14 1 1 A 29 29 ASN N N 29 117.886 116.801 1.085 1
1 222 . 14 1 1 A 29 29 ASN H H 29 8.500 8.006 0.494 1
1 223 . 14 1 1 A 29 29 ASN CA C 29 56.124 56.661 -0.537 1
1 224 . 14 1 1 A 29 29 ASN HA H 29 4.427 4.297 0.130 1
1 225 . 14 1 1 A 29 29 ASN CB C 29 37.934 39.518 -1.584 1
1 231 . 14 1 1 A 29 29 ASN C C 29 178.015 177.845 0.170 1
1 232 . 14 1 1 A 30 30 GLN N N 30 118.146 119.049 -0.903 1
1 233 . 14 1 1 A 30 30 GLN H H 30 7.682 8.197 -0.515 1
1 234 . 14 1 1 A 30 30 GLN CA C 30 58.640 57.596 1.044 1
1 235 . 14 1 1 A 30 30 GLN HA H 30 3.961 4.104 -0.143 1
1 236 . 14 1 1 A 30 30 GLN CB C 30 28.485 28.397 0.088 1
1 245 . 14 1 1 A 30 30 GLN C C 30 178.333 178.156 0.177 1
1 246 . 14 1 1 A 31 31 HIS N N 31 119.699 119.618 0.081 1
1 247 . 14 1 1 A 31 31 HIS H H 31 7.693 8.029 -0.336 1
1 248 . 14 1 1 A 31 31 HIS CA C 31 58.923 59.081 -0.158 1
1 249 . 14 1 1 A 31 31 HIS HA H 31 4.181 4.189 -0.008 1
1 250 . 14 1 1 A 31 31 HIS CB C 31 28.433 29.916 -1.483 1
1 257 . 14 1 1 A 31 31 HIS C C 31 176.132 176.919 -0.787 1
1 258 . 14 1 1 A 32 32 GLN N N 32 115.052 118.250 -3.198 1
1 259 . 14 1 1 A 32 32 GLN H H 32 8.305 8.683 -0.378 1
1 260 . 14 1 1 A 32 32 GLN CA C 32 59.218 58.983 0.235 1
1 261 . 14 1 1 A 32 32 GLN HA H 32 3.660 3.843 -0.183 1
1 262 . 14 1 1 A 32 32 GLN CB C 32 28.322 28.269 0.053 1
1 271 . 14 1 1 A 32 32 GLN C C 32 177.230 178.516 -1.286 1
1 272 . 14 1 1 A 33 33 ARG N N 33 117.232 117.700 -0.468 1
1 273 . 14 1 1 A 33 33 ARG H H 33 7.068 7.734 -0.666 1
1 274 . 14 1 1 A 33 33 ARG CA C 33 58.313 58.400 -0.087 1
1 275 . 14 1 1 A 33 33 ARG HA H 33 4.101 4.072 0.029 1
1 276 . 14 1 1 A 33 33 ARG CB C 33 29.942 29.309 0.633 1
1 285 . 14 1 1 A 33 33 ARG C C 33 178.473 177.131 1.342 1
1 286 . 14 1 1 A 34 34 ILE N N 34 116.070 116.061 0.009 1
1 287 . 14 1 1 A 34 34 ILE H H 34 7.787 7.729 0.058 1
1 288 . 14 1 1 A 34 34 ILE CA C 34 62.914 63.581 -0.667 1
1 289 . 14 1 1 A 34 34 ILE HA H 34 3.973 3.769 0.204 1
1 290 . 14 1 1 A 34 34 ILE CB C 34 37.629 36.873 0.756 1
1 303 . 14 1 1 A 34 34 ILE C C 34 177.355 176.558 0.797 1
1 304 . 14 1 1 A 35 35 HIS N N 35 117.906 119.387 -1.481 1
1 305 . 14 1 1 A 35 35 HIS H H 35 7.208 7.811 -0.603 1
1 306 . 14 1 1 A 35 35 HIS CA C 35 55.220 55.608 -0.388 1
1 307 . 14 1 1 A 35 35 HIS HA H 35 4.832 4.704 0.128 1
1 308 . 14 1 1 A 35 35 HIS CB C 35 28.533 29.672 -1.139 1
1 315 . 14 1 1 A 35 35 HIS C C 35 175.765 174.705 1.060 1
1 316 . 14 1 1 A 36 36 THR N N 36 111.781 113.788 -2.007 1
1 317 . 14 1 1 A 36 36 THR H H 36 7.764 7.314 0.450 1
1 318 . 14 1 1 A 36 36 THR CA C 36 62.457 61.358 1.099 1
1 319 . 14 1 1 A 36 36 THR HA H 36 4.330 4.554 -0.224 1
1 320 . 14 1 1 A 36 36 THR CB C 36 69.813 71.467 -1.654 1
1 326 . 14 1 1 A 36 36 THR C C 36 175.440 173.019 2.421 1
1 327 . 14 1 1 A 37 37 GLY N N 37 110.636 113.822 -3.186 1
1 328 . 14 1 1 A 37 37 GLY H H 37 8.211 8.306 -0.095 1
1 329 . 14 1 1 A 37 37 GLY CA C 37 45.325 46.060 -0.735 1
1 330 . 14 1 1 A 37 37 GLY HA2 H 37 3.923 4.085 -0.162 1
1 331 . 14 1 1 A 37 37 GLY HA3 H 37 4.004 4.088 -0.084 1
1 332 . 14 1 1 A 37 37 GLY C C 37 174.040 172.727 1.313 1
1 333 . 14 1 1 A 38 38 GLU N N 38 120.567 119.169 1.398 1
1 334 . 14 1 1 A 38 38 GLU H H 38 8.073 8.189 -0.116 1
1 335 . 14 1 1 A 38 38 GLU CA C 38 56.418 55.588 0.830 1
1 336 . 14 1 1 A 38 38 GLU HA H 38 4.217 4.582 -0.365 1
1 337 . 14 1 1 A 38 38 GLU CB C 38 30.522 31.149 -0.627 1
1 343 . 14 1 1 A 38 38 GLU C C 38 176.215 175.781 0.434 1
1 344 . 14 1 1 A 39 39 LYS N N 39 123.787 121.005 2.782 1
1 345 . 14 1 1 A 39 39 LYS H H 39 8.387 8.575 -0.188 1
1 346 . 14 1 1 A 39 39 LYS CA C 39 54.102 53.920 0.182 1
1 347 . 14 1 1 A 39 39 LYS HA H 39 4.575 4.726 -0.151 1
1 348 . 14 1 1 A 39 39 LYS CB C 39 32.422 32.341 0.081 1
1 359 . 14 1 1 A 39 39 LYS C C 39 174.478 176.277 -1.799 1
1 360 . 14 1 1 A 40 40 PRO CA C 40 63.208 64.407 -1.199 1
1 361 . 14 1 1 A 40 40 PRO HA H 40 4.440 4.532 -0.092 1
1 362 . 14 1 1 A 40 40 PRO CB C 40 32.147 32.220 -0.073 1
1 371 . 14 1 1 A 43 43 PRO CA C 43 63.124 62.728 0.396 1
1 372 . 14 1 1 A 43 43 PRO HA H 43 4.417 4.590 -0.173 1
1 373 . 14 1 1 A 43 43 PRO CB C 43 32.161 32.294 -0.133 1
1 382 . 14 1 1 A 45 45 SER CA C 45 58.357 56.929 1.428 1
1 383 . 14 1 1 A 45 45 SER HA H 45 4.478 5.259 -0.781 1
1 384 . 14 1 1 A 45 45 SER CB C 45 63.886 65.978 -2.092 1
1 387 . 14 1 1 A 45 45 SER C C 45 173.890 174.273 -0.383 1
1 1 . 15 1 1 A 10 10 THR CA C 10 62.043 60.971 1.072 1
1 2 . 15 1 1 A 10 10 THR HA H 10 4.275 4.439 -0.164 1
1 3 . 15 1 1 A 10 10 THR CB C 10 69.619 68.485 1.134 1
1 9 . 15 1 1 A 10 10 THR C C 10 174.384 173.422 0.962 1
1 10 . 15 1 1 A 11 11 LYS N N 11 124.060 124.541 -0.481 1
1 11 . 15 1 1 A 11 11 LYS H H 11 8.302 7.408 0.894 1
1 12 . 15 1 1 A 11 11 LYS CA C 11 55.798 55.820 -0.022 1
1 13 . 15 1 1 A 11 11 LYS HA H 11 4.240 4.615 -0.375 1
1 14 . 15 1 1 A 11 11 LYS CB C 11 32.582 36.360 -3.778 1
1 25 . 15 1 1 A 11 11 LYS C C 11 175.995 175.476 0.519 1
1 26 . 15 1 1 A 12 12 SER N N 12 116.110 117.725 -1.615 1
1 27 . 15 1 1 A 12 12 SER H H 12 7.977 8.880 -0.903 1
1 28 . 15 1 1 A 12 12 SER CA C 12 58.636 60.324 -1.688 1
1 29 . 15 1 1 A 12 12 SER HA H 12 4.260 4.403 -0.143 1
1 30 . 15 1 1 A 12 12 SER CB C 12 64.029 63.439 0.590 1
1 33 . 15 1 1 A 12 12 SER C C 12 173.332 173.943 -0.611 1
1 34 . 15 1 1 A 13 13 HIS N N 13 122.195 115.584 6.611 1
1 35 . 15 1 1 A 13 13 HIS H H 13 8.407 7.276 1.131 1
1 36 . 15 1 1 A 13 13 HIS CA C 13 55.603 54.261 1.342 1
1 37 . 15 1 1 A 13 13 HIS HA H 13 4.625 5.105 -0.480 1
1 38 . 15 1 1 A 13 13 HIS CB C 13 31.227 30.396 0.831 1
1 45 . 15 1 1 A 13 13 HIS C C 13 174.550 173.735 0.815 1
1 46 . 15 1 1 A 14 14 GLN N N 14 123.997 125.088 -1.091 1
1 47 . 15 1 1 A 14 14 GLN H H 14 8.662 9.101 -0.439 1
1 48 . 15 1 1 A 14 14 GLN CA C 14 54.912 53.686 1.226 1
1 49 . 15 1 1 A 14 14 GLN HA H 14 4.909 5.284 -0.375 1
1 50 . 15 1 1 A 14 14 GLN CB C 14 31.614 32.055 -0.441 1
1 59 . 15 1 1 A 14 14 GLN C C 14 174.837 175.234 -0.397 1
1 60 . 15 1 1 A 15 15 CYS N N 15 126.364 124.699 1.665 1
1 61 . 15 1 1 A 15 15 CYS H H 15 9.186 9.344 -0.158 1
1 62 . 15 1 1 A 15 15 CYS CA C 15 59.390 59.376 0.014 1
1 63 . 15 1 1 A 15 15 CYS HA H 15 4.532 4.631 -0.099 1
1 64 . 15 1 1 A 15 15 CYS CB C 15 29.575 29.279 0.296 1
1 67 . 15 1 1 A 15 15 CYS C C 15 177.214 174.733 2.481 1
1 68 . 15 1 1 A 16 16 HIS CA C 16 58.476 57.012 1.464 1
1 69 . 15 1 1 A 16 16 HIS HA H 16 4.471 4.632 -0.161 1
1 70 . 15 1 1 A 16 16 HIS CB C 16 29.832 31.732 -1.900 1
1 77 . 15 1 1 A 16 16 HIS C C 16 175.596 176.608 -1.012 1
1 78 . 15 1 1 A 17 17 GLU N N 17 120.837 119.182 1.655 1
1 79 . 15 1 1 A 17 17 GLU H H 17 8.472 8.085 0.387 1
1 80 . 15 1 1 A 17 17 GLU CA C 17 58.401 59.073 -0.672 1
1 81 . 15 1 1 A 17 17 GLU HA H 17 4.121 3.939 0.182 1
1 82 . 15 1 1 A 17 17 GLU CB C 17 29.314 29.373 -0.059 1
1 88 . 15 1 1 A 17 17 GLU C C 17 177.130 178.001 -0.871 1
1 89 . 15 1 1 A 18 18 CYS N N 18 114.120 114.657 -0.537 1
1 90 . 15 1 1 A 18 18 CYS H H 18 7.802 7.757 0.045 1
1 91 . 15 1 1 A 18 18 CYS CA C 18 58.221 59.226 -1.005 1
1 92 . 15 1 1 A 18 18 CYS HA H 18 5.117 4.701 0.416 1
1 93 . 15 1 1 A 18 18 CYS CB C 18 32.389 30.382 2.007 1
1 96 . 15 1 1 A 18 18 CYS C C 18 176.179 175.871 0.308 1
1 97 . 15 1 1 A 19 19 GLY N N 19 113.325 110.398 2.927 1
1 98 . 15 1 1 A 19 19 GLY H H 19 8.099 8.268 -0.169 1
1 99 . 15 1 1 A 19 19 GLY CA C 19 46.177 45.309 0.868 1
1 100 . 15 1 1 A 19 19 GLY HA2 H 19 3.804 3.965 -0.161 1
1 101 . 15 1 1 A 19 19 GLY HA3 H 19 4.212 3.987 0.225 1
1 102 . 15 1 1 A 19 19 GLY C C 19 173.985 174.699 -0.714 1
1 103 . 15 1 1 A 20 20 ARG N N 20 122.410 120.328 2.082 1
1 104 . 15 1 1 A 20 20 ARG H H 20 7.910 7.329 0.581 1
1 105 . 15 1 1 A 20 20 ARG CA C 20 57.691 55.938 1.753 1
1 106 . 15 1 1 A 20 20 ARG HA H 20 3.970 4.193 -0.223 1
1 107 . 15 1 1 A 20 20 ARG CB C 20 31.437 31.569 -0.132 1
1 116 . 15 1 1 A 20 20 ARG C C 20 174.491 175.212 -0.721 1
1 117 . 15 1 1 A 21 21 GLY N N 21 108.663 107.631 1.032 1
1 118 . 15 1 1 A 21 21 GLY H H 21 8.053 8.193 -0.140 1
1 119 . 15 1 1 A 21 21 GLY CA C 21 43.942 43.801 0.141 1
1 120 . 15 1 1 A 21 21 GLY HA2 H 21 3.349 4.076 -0.727 1
1 121 . 15 1 1 A 21 21 GLY HA3 H 21 4.767 4.142 0.625 1
1 122 . 15 1 1 A 21 21 GLY C C 21 172.522 171.650 0.872 1
1 123 . 15 1 1 A 22 22 PHE N N 22 117.603 122.033 -4.430 1
1 124 . 15 1 1 A 22 22 PHE H H 22 8.383 8.827 -0.444 1
1 125 . 15 1 1 A 22 22 PHE CA C 22 57.190 56.453 0.737 1
1 126 . 15 1 1 A 22 22 PHE HA H 22 4.803 5.000 -0.197 1
1 127 . 15 1 1 A 22 22 PHE CB C 22 43.726 43.058 0.668 1
1 140 . 15 1 1 A 22 22 PHE C C 22 175.623 175.723 -0.100 1
1 141 . 15 1 1 A 23 23 THR CA C 23 64.469 65.865 -1.396 1
1 142 . 15 1 1 A 23 23 THR HA H 23 4.405 4.391 0.014 1
1 143 . 15 1 1 A 23 23 THR CB C 23 69.258 69.220 0.038 1
1 149 . 15 1 1 A 23 23 THR C C 23 174.733 175.173 -0.440 1
1 150 . 15 1 1 A 24 24 LEU N N 24 118.621 119.801 -1.180 1
1 151 . 15 1 1 A 24 24 LEU H H 24 7.397 8.191 -0.794 1
1 152 . 15 1 1 A 24 24 LEU CA C 24 52.956 54.008 -1.052 1
1 153 . 15 1 1 A 24 24 LEU HA H 24 4.672 4.548 0.124 1
1 154 . 15 1 1 A 24 24 LEU CB C 24 44.907 41.816 3.091 1
1 167 . 15 1 1 A 24 24 LEU C C 24 177.120 177.238 -0.118 1
1 168 . 15 1 1 A 25 25 LYS N N 25 125.592 127.526 -1.934 1
1 169 . 15 1 1 A 25 25 LYS H H 25 8.555 8.873 -0.318 1
1 170 . 15 1 1 A 25 25 LYS CA C 25 59.139 59.724 -0.585 1
1 171 . 15 1 1 A 25 25 LYS HA H 25 3.201 3.114 0.087 1
1 172 . 15 1 1 A 25 25 LYS CB C 25 31.829 31.758 0.071 1
1 184 . 15 1 1 A 25 25 LYS C C 25 178.110 177.901 0.209 1
1 185 . 15 1 1 A 26 26 SER CA C 26 60.759 61.346 -0.587 1
1 186 . 15 1 1 A 26 26 SER HA H 26 4.034 4.101 -0.067 1
1 187 . 15 1 1 A 26 26 SER CB C 26 61.446 62.139 -0.693 1
1 190 . 15 1 1 A 26 26 SER C C 26 177.426 177.122 0.304 1
1 191 . 15 1 1 A 27 27 HIS N N 27 121.342 118.541 2.801 1
1 192 . 15 1 1 A 27 27 HIS H H 27 6.706 7.946 -1.240 1
1 193 . 15 1 1 A 27 27 HIS CA C 27 57.237 59.117 -1.880 1
1 194 . 15 1 1 A 27 27 HIS HA H 27 4.420 4.104 0.316 1
1 195 . 15 1 1 A 27 27 HIS CB C 27 31.574 29.976 1.598 1
1 202 . 15 1 1 A 27 27 HIS C C 27 178.457 176.964 1.493 1
1 203 . 15 1 1 A 28 28 LEU N N 28 122.540 120.115 2.425 1
1 204 . 15 1 1 A 28 28 LEU H H 28 7.190 7.510 -0.320 1
1 205 . 15 1 1 A 28 28 LEU CA C 28 57.976 57.966 0.010 1
1 206 . 15 1 1 A 28 28 LEU HA H 28 3.191 2.655 0.536 1
1 207 . 15 1 1 A 28 28 LEU CB C 28 40.034 41.751 -1.717 1
1 220 . 15 1 1 A 28 28 LEU C C 28 177.619 178.035 -0.416 1
1 221 . 15 1 1 A 29 29 ASN N N 29 117.886 116.816 1.070 1
1 222 . 15 1 1 A 29 29 ASN H H 29 8.500 8.065 0.435 1
1 223 . 15 1 1 A 29 29 ASN CA C 29 56.124 56.563 -0.439 1
1 224 . 15 1 1 A 29 29 ASN HA H 29 4.427 4.358 0.069 1
1 225 . 15 1 1 A 29 29 ASN CB C 29 37.934 38.754 -0.820 1
1 231 . 15 1 1 A 29 29 ASN C C 29 178.015 177.383 0.632 1
1 232 . 15 1 1 A 30 30 GLN N N 30 118.146 119.096 -0.950 1
1 233 . 15 1 1 A 30 30 GLN H H 30 7.682 8.001 -0.319 1
1 234 . 15 1 1 A 30 30 GLN CA C 30 58.640 58.611 0.029 1
1 235 . 15 1 1 A 30 30 GLN HA H 30 3.961 3.977 -0.016 1
1 236 . 15 1 1 A 30 30 GLN CB C 30 28.485 28.110 0.375 1
1 245 . 15 1 1 A 30 30 GLN C C 30 178.333 178.252 0.081 1
1 246 . 15 1 1 A 31 31 HIS N N 31 119.699 119.782 -0.083 1
1 247 . 15 1 1 A 31 31 HIS H H 31 7.693 8.204 -0.511 1
1 248 . 15 1 1 A 31 31 HIS CA C 31 58.923 59.862 -0.939 1
1 249 . 15 1 1 A 31 31 HIS HA H 31 4.181 4.136 0.045 1
1 250 . 15 1 1 A 31 31 HIS CB C 31 28.433 29.173 -0.740 1
1 257 . 15 1 1 A 31 31 HIS C C 31 176.132 177.063 -0.931 1
1 258 . 15 1 1 A 32 32 GLN N N 32 115.052 117.787 -2.735 1
1 259 . 15 1 1 A 32 32 GLN H H 32 8.305 8.413 -0.108 1
1 260 . 15 1 1 A 32 32 GLN CA C 32 59.218 59.067 0.151 1
1 261 . 15 1 1 A 32 32 GLN HA H 32 3.660 3.939 -0.279 1
1 262 . 15 1 1 A 32 32 GLN CB C 32 28.322 28.385 -0.063 1
1 271 . 15 1 1 A 32 32 GLN C C 32 177.230 178.647 -1.417 1
1 272 . 15 1 1 A 33 33 ARG N N 33 117.232 119.910 -2.678 1
1 273 . 15 1 1 A 33 33 ARG H H 33 7.068 7.963 -0.895 1
1 274 . 15 1 1 A 33 33 ARG CA C 33 58.313 58.934 -0.621 1
1 275 . 15 1 1 A 33 33 ARG HA H 33 4.101 4.382 -0.281 1
1 276 . 15 1 1 A 33 33 ARG CB C 33 29.942 29.716 0.226 1
1 285 . 15 1 1 A 33 33 ARG C C 33 178.473 178.760 -0.287 1
1 286 . 15 1 1 A 34 34 ILE N N 34 116.070 117.034 -0.964 1
1 287 . 15 1 1 A 34 34 ILE H H 34 7.787 7.722 0.065 1
1 288 . 15 1 1 A 34 34 ILE CA C 34 62.914 63.071 -0.157 1
1 289 . 15 1 1 A 34 34 ILE HA H 34 3.973 3.765 0.208 1
1 290 . 15 1 1 A 34 34 ILE CB C 34 37.629 37.227 0.402 1
1 303 . 15 1 1 A 34 34 ILE C C 34 177.355 176.500 0.855 1
1 304 . 15 1 1 A 35 35 HIS N N 35 117.906 118.957 -1.051 1
1 305 . 15 1 1 A 35 35 HIS H H 35 7.208 7.975 -0.767 1
1 306 . 15 1 1 A 35 35 HIS CA C 35 55.220 56.770 -1.550 1
1 307 . 15 1 1 A 35 35 HIS HA H 35 4.832 4.694 0.138 1
1 308 . 15 1 1 A 35 35 HIS CB C 35 28.533 31.673 -3.140 1
1 315 . 15 1 1 A 35 35 HIS C C 35 175.765 175.192 0.573 1
1 316 . 15 1 1 A 36 36 THR N N 36 111.781 111.697 0.084 1
1 317 . 15 1 1 A 36 36 THR H H 36 7.764 7.401 0.363 1
1 318 . 15 1 1 A 36 36 THR CA C 36 62.457 62.483 -0.026 1
1 319 . 15 1 1 A 36 36 THR HA H 36 4.330 4.192 0.138 1
1 320 . 15 1 1 A 36 36 THR CB C 36 69.813 69.685 0.128 1
1 326 . 15 1 1 A 36 36 THR C C 36 175.440 175.153 0.287 1
1 327 . 15 1 1 A 37 37 GLY N N 37 110.636 112.325 -1.689 1
1 328 . 15 1 1 A 37 37 GLY H H 37 8.211 8.790 -0.579 1
1 329 . 15 1 1 A 37 37 GLY CA C 37 45.325 46.109 -0.784 1
1 330 . 15 1 1 A 37 37 GLY HA2 H 37 3.923 4.110 -0.187 1
1 331 . 15 1 1 A 37 37 GLY HA3 H 37 4.004 4.110 -0.106 1
1 332 . 15 1 1 A 37 37 GLY C C 37 174.040 174.011 0.029 1
1 333 . 15 1 1 A 38 38 GLU N N 38 120.567 119.473 1.094 1
1 334 . 15 1 1 A 38 38 GLU H H 38 8.073 8.108 -0.035 1
1 335 . 15 1 1 A 38 38 GLU CA C 38 56.418 54.547 1.871 1
1 336 . 15 1 1 A 38 38 GLU HA H 38 4.217 4.968 -0.751 1
1 337 . 15 1 1 A 38 38 GLU CB C 38 30.522 33.664 -3.142 1
1 343 . 15 1 1 A 38 38 GLU C C 38 176.215 175.105 1.110 1
1 344 . 15 1 1 A 39 39 LYS N N 39 123.787 122.747 1.040 1
1 345 . 15 1 1 A 39 39 LYS H H 39 8.387 8.680 -0.293 1
1 346 . 15 1 1 A 39 39 LYS CA C 39 54.102 53.002 1.100 1
1 347 . 15 1 1 A 39 39 LYS HA H 39 4.575 4.578 -0.003 1
1 348 . 15 1 1 A 39 39 LYS CB C 39 32.422 36.283 -3.861 1
1 359 . 15 1 1 A 39 39 LYS C C 39 174.478 175.516 -1.038 1
1 360 . 15 1 1 A 40 40 PRO CA C 40 63.208 64.842 -1.634 1
1 361 . 15 1 1 A 40 40 PRO HA H 40 4.440 4.453 -0.013 1
1 362 . 15 1 1 A 40 40 PRO CB C 40 32.147 32.043 0.104 1
1 371 . 15 1 1 A 43 43 PRO CA C 43 63.124 63.702 -0.578 1
1 372 . 15 1 1 A 43 43 PRO HA H 43 4.417 4.336 0.081 1
1 373 . 15 1 1 A 43 43 PRO CB C 43 32.161 31.926 0.235 1
1 382 . 15 1 1 A 45 45 SER CA C 45 58.357 57.167 1.190 1
1 383 . 15 1 1 A 45 45 SER HA H 45 4.478 4.600 -0.122 1
1 384 . 15 1 1 A 45 45 SER CB C 45 63.886 65.443 -1.557 1
1 387 . 15 1 1 A 45 45 SER C C 45 173.890 173.328 0.562 1
1 1 . 16 1 1 A 10 10 THR CA C 10 62.043 59.592 2.451 1
1 2 . 16 1 1 A 10 10 THR HA H 10 4.275 5.214 -0.939 1
1 3 . 16 1 1 A 10 10 THR CB C 10 69.619 71.904 -2.285 1
1 9 . 16 1 1 A 10 10 THR C C 10 174.384 173.241 1.143 1
1 10 . 16 1 1 A 11 11 LYS N N 11 124.060 123.748 0.312 1
1 11 . 16 1 1 A 11 11 LYS H H 11 8.302 8.408 -0.106 1
1 12 . 16 1 1 A 11 11 LYS CA C 11 55.798 55.261 0.537 1
1 13 . 16 1 1 A 11 11 LYS HA H 11 4.240 4.656 -0.416 1
1 14 . 16 1 1 A 11 11 LYS CB C 11 32.582 35.961 -3.379 1
1 25 . 16 1 1 A 11 11 LYS C C 11 175.995 176.393 -0.398 1
1 26 . 16 1 1 A 12 12 SER N N 12 116.110 120.241 -4.131 1
1 27 . 16 1 1 A 12 12 SER H H 12 7.977 8.787 -0.810 1
1 28 . 16 1 1 A 12 12 SER CA C 12 58.636 61.560 -2.924 1
1 29 . 16 1 1 A 12 12 SER HA H 12 4.260 3.996 0.264 1
1 30 . 16 1 1 A 12 12 SER CB C 12 64.029 62.613 1.416 1
1 33 . 16 1 1 A 12 12 SER C C 12 173.332 173.732 -0.400 1
1 34 . 16 1 1 A 13 13 HIS N N 13 122.195 115.355 6.840 1
1 35 . 16 1 1 A 13 13 HIS H H 13 8.407 7.754 0.653 1
1 36 . 16 1 1 A 13 13 HIS CA C 13 55.603 54.608 0.995 1
1 37 . 16 1 1 A 13 13 HIS HA H 13 4.625 5.112 -0.487 1
1 38 . 16 1 1 A 13 13 HIS CB C 13 31.227 30.797 0.430 1
1 45 . 16 1 1 A 13 13 HIS C C 13 174.550 173.610 0.940 1
1 46 . 16 1 1 A 14 14 GLN N N 14 123.997 124.977 -0.980 1
1 47 . 16 1 1 A 14 14 GLN H H 14 8.662 9.045 -0.383 1
1 48 . 16 1 1 A 14 14 GLN CA C 14 54.912 54.068 0.844 1
1 49 . 16 1 1 A 14 14 GLN HA H 14 4.909 5.384 -0.475 1
1 50 . 16 1 1 A 14 14 GLN CB C 14 31.614 31.198 0.416 1
1 59 . 16 1 1 A 14 14 GLN C C 14 174.837 175.957 -1.120 1
1 60 . 16 1 1 A 15 15 CYS N N 15 126.364 125.437 0.927 1
1 61 . 16 1 1 A 15 15 CYS H H 15 9.186 9.123 0.063 1
1 62 . 16 1 1 A 15 15 CYS CA C 15 59.390 59.745 -0.355 1
1 63 . 16 1 1 A 15 15 CYS HA H 15 4.532 4.817 -0.285 1
1 64 . 16 1 1 A 15 15 CYS CB C 15 29.575 29.046 0.529 1
1 67 . 16 1 1 A 15 15 CYS C C 15 177.214 174.661 2.553 1
1 68 . 16 1 1 A 16 16 HIS CA C 16 58.476 57.879 0.597 1
1 69 . 16 1 1 A 16 16 HIS HA H 16 4.471 4.639 -0.168 1
1 70 . 16 1 1 A 16 16 HIS CB C 16 29.832 31.305 -1.473 1
1 77 . 16 1 1 A 16 16 HIS C C 16 175.596 177.145 -1.549 1
1 78 . 16 1 1 A 17 17 GLU N N 17 120.837 118.334 2.503 1
1 79 . 16 1 1 A 17 17 GLU H H 17 8.472 8.056 0.416 1
1 80 . 16 1 1 A 17 17 GLU CA C 17 58.401 58.805 -0.404 1
1 81 . 16 1 1 A 17 17 GLU HA H 17 4.121 3.940 0.181 1
1 82 . 16 1 1 A 17 17 GLU CB C 17 29.314 29.251 0.063 1
1 88 . 16 1 1 A 17 17 GLU C C 17 177.130 177.883 -0.753 1
1 89 . 16 1 1 A 18 18 CYS N N 18 114.120 114.871 -0.751 1
1 90 . 16 1 1 A 18 18 CYS H H 18 7.802 7.873 -0.071 1
1 91 . 16 1 1 A 18 18 CYS CA C 18 58.221 59.228 -1.007 1
1 92 . 16 1 1 A 18 18 CYS HA H 18 5.117 4.669 0.448 1
1 93 . 16 1 1 A 18 18 CYS CB C 18 32.389 30.380 2.009 1
1 96 . 16 1 1 A 18 18 CYS C C 18 176.179 175.805 0.374 1
1 97 . 16 1 1 A 19 19 GLY N N 19 113.325 110.486 2.839 1
1 98 . 16 1 1 A 19 19 GLY H H 19 8.099 8.292 -0.193 1
1 99 . 16 1 1 A 19 19 GLY CA C 19 46.177 45.493 0.684 1
1 100 . 16 1 1 A 19 19 GLY HA2 H 19 3.804 3.981 -0.177 1
1 101 . 16 1 1 A 19 19 GLY HA3 H 19 4.212 4.017 0.195 1
1 102 . 16 1 1 A 19 19 GLY C C 19 173.985 174.783 -0.798 1
1 103 . 16 1 1 A 20 20 ARG N N 20 122.410 120.122 2.288 1
1 104 . 16 1 1 A 20 20 ARG H H 20 7.910 7.369 0.541 1
1 105 . 16 1 1 A 20 20 ARG CA C 20 57.691 55.781 1.910 1
1 106 . 16 1 1 A 20 20 ARG HA H 20 3.970 4.295 -0.325 1
1 107 . 16 1 1 A 20 20 ARG CB C 20 31.437 31.729 -0.292 1
1 116 . 16 1 1 A 20 20 ARG C C 20 174.491 175.342 -0.851 1
1 117 . 16 1 1 A 21 21 GLY N N 21 108.663 107.498 1.165 1
1 118 . 16 1 1 A 21 21 GLY H H 21 8.053 8.201 -0.148 1
1 119 . 16 1 1 A 21 21 GLY CA C 21 43.942 44.060 -0.118 1
1 120 . 16 1 1 A 21 21 GLY HA2 H 21 3.349 4.096 -0.747 1
1 121 . 16 1 1 A 21 21 GLY HA3 H 21 4.767 4.180 0.587 1
1 122 . 16 1 1 A 21 21 GLY C C 21 172.522 171.542 0.980 1
1 123 . 16 1 1 A 22 22 PHE N N 22 117.603 123.517 -5.914 1
1 124 . 16 1 1 A 22 22 PHE H H 22 8.383 8.605 -0.222 1
1 125 . 16 1 1 A 22 22 PHE CA C 22 57.190 56.346 0.844 1
1 126 . 16 1 1 A 22 22 PHE HA H 22 4.803 5.071 -0.268 1
1 127 . 16 1 1 A 22 22 PHE CB C 22 43.726 41.180 2.546 1
1 140 . 16 1 1 A 22 22 PHE C C 22 175.623 176.013 -0.390 1
1 141 . 16 1 1 A 23 23 THR CA C 23 64.469 67.165 -2.696 1
1 142 . 16 1 1 A 23 23 THR HA H 23 4.405 4.027 0.378 1
1 143 . 16 1 1 A 23 23 THR CB C 23 69.258 68.722 0.536 1
1 149 . 16 1 1 A 23 23 THR C C 23 174.733 175.458 -0.725 1
1 150 . 16 1 1 A 24 24 LEU N N 24 118.621 119.608 -0.987 1
1 151 . 16 1 1 A 24 24 LEU H H 24 7.397 8.226 -0.829 1
1 152 . 16 1 1 A 24 24 LEU CA C 24 52.956 54.091 -1.135 1
1 153 . 16 1 1 A 24 24 LEU HA H 24 4.672 4.574 0.098 1
1 154 . 16 1 1 A 24 24 LEU CB C 24 44.907 42.362 2.545 1
1 167 . 16 1 1 A 24 24 LEU C C 24 177.120 177.450 -0.330 1
1 168 . 16 1 1 A 25 25 LYS N N 25 125.592 126.239 -0.647 1
1 169 . 16 1 1 A 25 25 LYS H H 25 8.555 9.080 -0.525 1
1 170 . 16 1 1 A 25 25 LYS CA C 25 59.139 60.180 -1.041 1
1 171 . 16 1 1 A 25 25 LYS HA H 25 3.201 3.524 -0.323 1
1 172 . 16 1 1 A 25 25 LYS CB C 25 31.829 31.653 0.176 1
1 184 . 16 1 1 A 25 25 LYS C C 25 178.110 178.070 0.040 1
1 185 . 16 1 1 A 26 26 SER CA C 26 60.759 61.260 -0.501 1
1 186 . 16 1 1 A 26 26 SER HA H 26 4.034 4.123 -0.089 1
1 187 . 16 1 1 A 26 26 SER CB C 26 61.446 62.079 -0.633 1
1 190 . 16 1 1 A 26 26 SER C C 26 177.426 177.038 0.388 1
1 191 . 16 1 1 A 27 27 HIS N N 27 121.342 118.624 2.718 1
1 192 . 16 1 1 A 27 27 HIS H H 27 6.706 8.002 -1.296 1
1 193 . 16 1 1 A 27 27 HIS CA C 27 57.237 59.193 -1.956 1
1 194 . 16 1 1 A 27 27 HIS HA H 27 4.420 4.144 0.276 1
1 195 . 16 1 1 A 27 27 HIS CB C 27 31.574 30.040 1.534 1
1 202 . 16 1 1 A 27 27 HIS C C 27 178.457 177.208 1.249 1
1 203 . 16 1 1 A 28 28 LEU N N 28 122.540 120.349 2.191 1
1 204 . 16 1 1 A 28 28 LEU H H 28 7.190 7.684 -0.494 1
1 205 . 16 1 1 A 28 28 LEU CA C 28 57.976 57.890 0.086 1
1 206 . 16 1 1 A 28 28 LEU HA H 28 3.191 2.697 0.494 1
1 207 . 16 1 1 A 28 28 LEU CB C 28 40.034 41.461 -1.427 1
1 220 . 16 1 1 A 28 28 LEU C C 28 177.619 178.239 -0.620 1
1 221 . 16 1 1 A 29 29 ASN N N 29 117.886 116.817 1.069 1
1 222 . 16 1 1 A 29 29 ASN H H 29 8.500 7.936 0.564 1
1 223 . 16 1 1 A 29 29 ASN CA C 29 56.124 56.625 -0.501 1
1 224 . 16 1 1 A 29 29 ASN HA H 29 4.427 4.421 0.006 1
1 225 . 16 1 1 A 29 29 ASN CB C 29 37.934 39.130 -1.196 1
1 231 . 16 1 1 A 29 29 ASN C C 29 178.015 178.062 -0.047 1
1 232 . 16 1 1 A 30 30 GLN N N 30 118.146 118.911 -0.765 1
1 233 . 16 1 1 A 30 30 GLN H H 30 7.682 7.811 -0.129 1
1 234 . 16 1 1 A 30 30 GLN CA C 30 58.640 58.732 -0.092 1
1 235 . 16 1 1 A 30 30 GLN HA H 30 3.961 3.999 -0.038 1
1 236 . 16 1 1 A 30 30 GLN CB C 30 28.485 28.536 -0.051 1
1 245 . 16 1 1 A 30 30 GLN C C 30 178.333 178.373 -0.040 1
1 246 . 16 1 1 A 31 31 HIS N N 31 119.699 119.653 0.046 1
1 247 . 16 1 1 A 31 31 HIS H H 31 7.693 7.974 -0.281 1
1 248 . 16 1 1 A 31 31 HIS CA C 31 58.923 59.570 -0.647 1
1 249 . 16 1 1 A 31 31 HIS HA H 31 4.181 4.127 0.054 1
1 250 . 16 1 1 A 31 31 HIS CB C 31 28.433 29.564 -1.131 1
1 257 . 16 1 1 A 31 31 HIS C C 31 176.132 177.031 -0.899 1
1 258 . 16 1 1 A 32 32 GLN N N 32 115.052 117.296 -2.244 1
1 259 . 16 1 1 A 32 32 GLN H H 32 8.305 8.644 -0.339 1
1 260 . 16 1 1 A 32 32 GLN CA C 32 59.218 59.059 0.159 1
1 261 . 16 1 1 A 32 32 GLN HA H 32 3.660 3.812 -0.152 1
1 262 . 16 1 1 A 32 32 GLN CB C 32 28.322 28.375 -0.053 1
1 271 . 16 1 1 A 32 32 GLN C C 32 177.230 178.298 -1.068 1
1 272 . 16 1 1 A 33 33 ARG N N 33 117.232 120.002 -2.770 1
1 273 . 16 1 1 A 33 33 ARG H H 33 7.068 7.982 -0.914 1
1 274 . 16 1 1 A 33 33 ARG CA C 33 58.313 58.911 -0.598 1
1 275 . 16 1 1 A 33 33 ARG HA H 33 4.101 4.034 0.067 1
1 276 . 16 1 1 A 33 33 ARG CB C 33 29.942 29.880 0.062 1
1 285 . 16 1 1 A 33 33 ARG C C 33 178.473 179.085 -0.612 1
1 286 . 16 1 1 A 34 34 ILE N N 34 116.070 118.116 -2.046 1
1 287 . 16 1 1 A 34 34 ILE H H 34 7.787 7.938 -0.151 1
1 288 . 16 1 1 A 34 34 ILE CA C 34 62.914 64.120 -1.206 1
1 289 . 16 1 1 A 34 34 ILE HA H 34 3.973 3.696 0.277 1
1 290 . 16 1 1 A 34 34 ILE CB C 34 37.629 37.216 0.413 1
1 303 . 16 1 1 A 34 34 ILE C C 34 177.355 176.943 0.412 1
1 304 . 16 1 1 A 35 35 HIS N N 35 117.906 119.383 -1.477 1
1 305 . 16 1 1 A 35 35 HIS H H 35 7.208 7.409 -0.201 1
1 306 . 16 1 1 A 35 35 HIS CA C 35 55.220 57.375 -2.155 1
1 307 . 16 1 1 A 35 35 HIS HA H 35 4.832 4.494 0.338 1
1 308 . 16 1 1 A 35 35 HIS CB C 35 28.533 31.057 -2.524 1
1 315 . 16 1 1 A 35 35 HIS C C 35 175.765 175.812 -0.047 1
1 316 . 16 1 1 A 36 36 THR N N 36 111.781 113.794 -2.013 1
1 317 . 16 1 1 A 36 36 THR H H 36 7.764 7.570 0.194 1
1 318 . 16 1 1 A 36 36 THR CA C 36 62.457 65.080 -2.623 1
1 319 . 16 1 1 A 36 36 THR HA H 36 4.330 4.017 0.313 1
1 320 . 16 1 1 A 36 36 THR CB C 36 69.813 68.427 1.386 1
1 326 . 16 1 1 A 36 36 THR C C 36 175.440 175.811 -0.371 1
1 327 . 16 1 1 A 37 37 GLY N N 37 110.636 114.953 -4.317 1
1 328 . 16 1 1 A 37 37 GLY H H 37 8.211 8.996 -0.785 1
1 329 . 16 1 1 A 37 37 GLY CA C 37 45.325 46.336 -1.011 1
1 330 . 16 1 1 A 37 37 GLY HA2 H 37 3.923 3.957 -0.034 1
1 331 . 16 1 1 A 37 37 GLY HA3 H 37 4.004 3.963 0.041 1
1 332 . 16 1 1 A 37 37 GLY C C 37 174.040 174.438 -0.398 1
1 333 . 16 1 1 A 38 38 GLU N N 38 120.567 120.994 -0.427 1
1 334 . 16 1 1 A 38 38 GLU H H 38 8.073 8.433 -0.360 1
1 335 . 16 1 1 A 38 38 GLU CA C 38 56.418 55.744 0.674 1
1 336 . 16 1 1 A 38 38 GLU HA H 38 4.217 4.559 -0.342 1
1 337 . 16 1 1 A 38 38 GLU CB C 38 30.522 28.923 1.599 1
1 343 . 16 1 1 A 38 38 GLU C C 38 176.215 175.045 1.170 1
1 344 . 16 1 1 A 39 39 LYS N N 39 123.787 126.082 -2.295 1
1 345 . 16 1 1 A 39 39 LYS H H 39 8.387 8.250 0.137 1
1 346 . 16 1 1 A 39 39 LYS CA C 39 54.102 53.155 0.947 1
1 347 . 16 1 1 A 39 39 LYS HA H 39 4.575 4.966 -0.391 1
1 348 . 16 1 1 A 39 39 LYS CB C 39 32.422 33.675 -1.253 1
1 359 . 16 1 1 A 39 39 LYS C C 39 174.478 174.195 0.283 1
1 360 . 16 1 1 A 40 40 PRO CA C 40 63.208 62.829 0.379 1
1 361 . 16 1 1 A 40 40 PRO HA H 40 4.440 4.505 -0.065 1
1 362 . 16 1 1 A 40 40 PRO CB C 40 32.147 32.454 -0.307 1
1 371 . 16 1 1 A 43 43 PRO CA C 43 63.124 62.731 0.393 1
1 372 . 16 1 1 A 43 43 PRO HA H 43 4.417 4.735 -0.318 1
1 373 . 16 1 1 A 43 43 PRO CB C 43 32.161 33.245 -1.084 1
1 382 . 16 1 1 A 45 45 SER CA C 45 58.357 58.910 -0.553 1
1 383 . 16 1 1 A 45 45 SER HA H 45 4.478 4.856 -0.378 1
1 384 . 16 1 1 A 45 45 SER CB C 45 63.886 63.851 0.035 1
1 387 . 16 1 1 A 45 45 SER C C 45 173.890 174.746 -0.856 1
1 1 . 17 1 1 A 10 10 THR CA C 10 62.043 61.563 0.480 1
1 2 . 17 1 1 A 10 10 THR HA H 10 4.275 4.447 -0.172 1
1 3 . 17 1 1 A 10 10 THR CB C 10 69.619 68.540 1.079 1
1 9 . 17 1 1 A 10 10 THR C C 10 174.384 173.881 0.503 1
1 10 . 17 1 1 A 11 11 LYS N N 11 124.060 124.371 -0.311 1
1 11 . 17 1 1 A 11 11 LYS H H 11 8.302 7.414 0.888 1
1 12 . 17 1 1 A 11 11 LYS CA C 11 55.798 54.396 1.402 1
1 13 . 17 1 1 A 11 11 LYS HA H 11 4.240 4.651 -0.411 1
1 14 . 17 1 1 A 11 11 LYS CB C 11 32.582 34.925 -2.343 1
1 25 . 17 1 1 A 11 11 LYS C C 11 175.995 176.150 -0.155 1
1 26 . 17 1 1 A 12 12 SER N N 12 116.110 121.221 -5.111 1
1 27 . 17 1 1 A 12 12 SER H H 12 7.977 8.817 -0.840 1
1 28 . 17 1 1 A 12 12 SER CA C 12 58.636 61.236 -2.600 1
1 29 . 17 1 1 A 12 12 SER HA H 12 4.260 4.317 -0.057 1
1 30 . 17 1 1 A 12 12 SER CB C 12 64.029 62.971 1.058 1
1 33 . 17 1 1 A 12 12 SER C C 12 173.332 174.508 -1.176 1
1 34 . 17 1 1 A 13 13 HIS N N 13 122.195 117.374 4.821 1
1 35 . 17 1 1 A 13 13 HIS H H 13 8.407 7.366 1.041 1
1 36 . 17 1 1 A 13 13 HIS CA C 13 55.603 55.238 0.365 1
1 37 . 17 1 1 A 13 13 HIS HA H 13 4.625 4.648 -0.023 1
1 38 . 17 1 1 A 13 13 HIS CB C 13 31.227 28.064 3.163 1
1 45 . 17 1 1 A 13 13 HIS C C 13 174.550 174.475 0.075 1
1 46 . 17 1 1 A 14 14 GLN N N 14 123.997 124.265 -0.268 1
1 47 . 17 1 1 A 14 14 GLN H H 14 8.662 8.719 -0.057 1
1 48 . 17 1 1 A 14 14 GLN CA C 14 54.912 54.088 0.824 1
1 49 . 17 1 1 A 14 14 GLN HA H 14 4.909 5.352 -0.443 1
1 50 . 17 1 1 A 14 14 GLN CB C 14 31.614 31.973 -0.359 1
1 59 . 17 1 1 A 14 14 GLN C C 14 174.837 175.707 -0.870 1
1 60 . 17 1 1 A 15 15 CYS N N 15 126.364 125.566 0.798 1
1 61 . 17 1 1 A 15 15 CYS H H 15 9.186 9.355 -0.169 1
1 62 . 17 1 1 A 15 15 CYS CA C 15 59.390 59.676 -0.286 1
1 63 . 17 1 1 A 15 15 CYS HA H 15 4.532 4.773 -0.241 1
1 64 . 17 1 1 A 15 15 CYS CB C 15 29.575 28.258 1.317 1
1 67 . 17 1 1 A 15 15 CYS C C 15 177.214 175.272 1.942 1
1 68 . 17 1 1 A 16 16 HIS CA C 16 58.476 57.704 0.772 1
1 69 . 17 1 1 A 16 16 HIS HA H 16 4.471 4.577 -0.106 1
1 70 . 17 1 1 A 16 16 HIS CB C 16 29.832 31.140 -1.308 1
1 77 . 17 1 1 A 16 16 HIS C C 16 175.596 177.165 -1.569 1
1 78 . 17 1 1 A 17 17 GLU N N 17 120.837 118.132 2.705 1
1 79 . 17 1 1 A 17 17 GLU H H 17 8.472 7.971 0.501 1
1 80 . 17 1 1 A 17 17 GLU CA C 17 58.401 58.698 -0.297 1
1 81 . 17 1 1 A 17 17 GLU HA H 17 4.121 4.043 0.078 1
1 82 . 17 1 1 A 17 17 GLU CB C 17 29.314 29.529 -0.215 1
1 88 . 17 1 1 A 17 17 GLU C C 17 177.130 177.823 -0.693 1
1 89 . 17 1 1 A 18 18 CYS N N 18 114.120 114.816 -0.696 1
1 90 . 17 1 1 A 18 18 CYS H H 18 7.802 7.781 0.021 1
1 91 . 17 1 1 A 18 18 CYS CA C 18 58.221 59.206 -0.985 1
1 92 . 17 1 1 A 18 18 CYS HA H 18 5.117 4.671 0.446 1
1 93 . 17 1 1 A 18 18 CYS CB C 18 32.389 30.390 1.999 1
1 96 . 17 1 1 A 18 18 CYS C C 18 176.179 175.771 0.408 1
1 97 . 17 1 1 A 19 19 GLY N N 19 113.325 110.357 2.968 1
1 98 . 17 1 1 A 19 19 GLY H H 19 8.099 8.277 -0.178 1
1 99 . 17 1 1 A 19 19 GLY CA C 19 46.177 45.407 0.770 1
1 100 . 17 1 1 A 19 19 GLY HA2 H 19 3.804 3.935 -0.131 1
1 101 . 17 1 1 A 19 19 GLY HA3 H 19 4.212 3.943 0.269 1
1 102 . 17 1 1 A 19 19 GLY C C 19 173.985 174.625 -0.640 1
1 103 . 17 1 1 A 20 20 ARG N N 20 122.410 119.875 2.535 1
1 104 . 17 1 1 A 20 20 ARG H H 20 7.910 7.292 0.618 1
1 105 . 17 1 1 A 20 20 ARG CA C 20 57.691 55.556 2.135 1
1 106 . 17 1 1 A 20 20 ARG HA H 20 3.970 4.342 -0.372 1
1 107 . 17 1 1 A 20 20 ARG CB C 20 31.437 31.870 -0.433 1
1 116 . 17 1 1 A 20 20 ARG C C 20 174.491 175.351 -0.860 1
1 117 . 17 1 1 A 21 21 GLY N N 21 108.663 107.661 1.002 1
1 118 . 17 1 1 A 21 21 GLY H H 21 8.053 8.120 -0.067 1
1 119 . 17 1 1 A 21 21 GLY CA C 21 43.942 44.121 -0.179 1
1 120 . 17 1 1 A 21 21 GLY HA2 H 21 3.349 4.178 -0.829 1
1 121 . 17 1 1 A 21 21 GLY HA3 H 21 4.767 4.257 0.510 1
1 122 . 17 1 1 A 21 21 GLY C C 21 172.522 171.547 0.975 1
1 123 . 17 1 1 A 22 22 PHE N N 22 117.603 123.265 -5.662 1
1 124 . 17 1 1 A 22 22 PHE H H 22 8.383 9.099 -0.716 1
1 125 . 17 1 1 A 22 22 PHE CA C 22 57.190 56.748 0.442 1
1 126 . 17 1 1 A 22 22 PHE HA H 22 4.803 5.032 -0.229 1
1 127 . 17 1 1 A 22 22 PHE CB C 22 43.726 43.206 0.520 1
1 140 . 17 1 1 A 22 22 PHE C C 22 175.623 175.925 -0.302 1
1 141 . 17 1 1 A 23 23 THR CA C 23 64.469 64.323 0.146 1
1 142 . 17 1 1 A 23 23 THR HA H 23 4.405 4.528 -0.123 1
1 143 . 17 1 1 A 23 23 THR CB C 23 69.258 69.491 -0.233 1
1 149 . 17 1 1 A 23 23 THR C C 23 174.733 175.315 -0.582 1
1 150 . 17 1 1 A 24 24 LEU N N 24 118.621 118.710 -0.089 1
1 151 . 17 1 1 A 24 24 LEU H H 24 7.397 7.947 -0.550 1
1 152 . 17 1 1 A 24 24 LEU CA C 24 52.956 53.051 -0.095 1
1 153 . 17 1 1 A 24 24 LEU HA H 24 4.672 4.670 0.002 1
1 154 . 17 1 1 A 24 24 LEU CB C 24 44.907 43.677 1.230 1
1 167 . 17 1 1 A 24 24 LEU C C 24 177.120 177.127 -0.007 1
1 168 . 17 1 1 A 25 25 LYS N N 25 125.592 122.738 2.854 1
1 169 . 17 1 1 A 25 25 LYS H H 25 8.555 8.496 0.059 1
1 170 . 17 1 1 A 25 25 LYS CA C 25 59.139 59.697 -0.558 1
1 171 . 17 1 1 A 25 25 LYS HA H 25 3.201 3.275 -0.074 1
1 172 . 17 1 1 A 25 25 LYS CB C 25 31.829 32.013 -0.184 1
1 184 . 17 1 1 A 25 25 LYS C C 25 178.110 178.214 -0.104 1
1 185 . 17 1 1 A 26 26 SER CA C 26 60.759 62.043 -1.284 1
1 186 . 17 1 1 A 26 26 SER HA H 26 4.034 4.106 -0.072 1
1 187 . 17 1 1 A 26 26 SER CB C 26 61.446 62.820 -1.374 1
1 190 . 17 1 1 A 26 26 SER C C 26 177.426 176.491 0.935 1
1 191 . 17 1 1 A 27 27 HIS N N 27 121.342 119.212 2.130 1
1 192 . 17 1 1 A 27 27 HIS H H 27 6.706 7.621 -0.915 1
1 193 . 17 1 1 A 27 27 HIS CA C 27 57.237 58.777 -1.540 1
1 194 . 17 1 1 A 27 27 HIS HA H 27 4.420 4.135 0.285 1
1 195 . 17 1 1 A 27 27 HIS CB C 27 31.574 29.894 1.680 1
1 202 . 17 1 1 A 27 27 HIS C C 27 178.457 177.062 1.395 1
1 203 . 17 1 1 A 28 28 LEU N N 28 122.540 120.147 2.393 1
1 204 . 17 1 1 A 28 28 LEU H H 28 7.190 7.738 -0.548 1
1 205 . 17 1 1 A 28 28 LEU CA C 28 57.976 57.821 0.155 1
1 206 . 17 1 1 A 28 28 LEU HA H 28 3.191 3.026 0.165 1
1 207 . 17 1 1 A 28 28 LEU CB C 28 40.034 41.753 -1.719 1
1 220 . 17 1 1 A 28 28 LEU C C 28 177.619 177.981 -0.362 1
1 221 . 17 1 1 A 29 29 ASN N N 29 117.886 117.163 0.723 1
1 222 . 17 1 1 A 29 29 ASN H H 29 8.500 8.596 -0.096 1
1 223 . 17 1 1 A 29 29 ASN CA C 29 56.124 56.721 -0.597 1
1 224 . 17 1 1 A 29 29 ASN HA H 29 4.427 4.376 0.051 1
1 225 . 17 1 1 A 29 29 ASN CB C 29 37.934 39.573 -1.639 1
1 231 . 17 1 1 A 29 29 ASN C C 29 178.015 177.546 0.469 1
1 232 . 17 1 1 A 30 30 GLN N N 30 118.146 119.211 -1.065 1
1 233 . 17 1 1 A 30 30 GLN H H 30 7.682 7.960 -0.278 1
1 234 . 17 1 1 A 30 30 GLN CA C 30 58.640 58.299 0.341 1
1 235 . 17 1 1 A 30 30 GLN HA H 30 3.961 4.024 -0.063 1
1 236 . 17 1 1 A 30 30 GLN CB C 30 28.485 28.371 0.114 1
1 245 . 17 1 1 A 30 30 GLN C C 30 178.333 178.241 0.092 1
1 246 . 17 1 1 A 31 31 HIS N N 31 119.699 119.638 0.061 1
1 247 . 17 1 1 A 31 31 HIS H H 31 7.693 8.193 -0.500 1
1 248 . 17 1 1 A 31 31 HIS CA C 31 58.923 59.306 -0.383 1
1 249 . 17 1 1 A 31 31 HIS HA H 31 4.181 4.175 0.006 1
1 250 . 17 1 1 A 31 31 HIS CB C 31 28.433 29.950 -1.517 1
1 257 . 17 1 1 A 31 31 HIS C C 31 176.132 177.610 -1.478 1
1 258 . 17 1 1 A 32 32 GLN N N 32 115.052 117.726 -2.674 1
1 259 . 17 1 1 A 32 32 GLN H H 32 8.305 8.483 -0.178 1
1 260 . 17 1 1 A 32 32 GLN CA C 32 59.218 59.075 0.143 1
1 261 . 17 1 1 A 32 32 GLN HA H 32 3.660 3.994 -0.334 1
1 262 . 17 1 1 A 32 32 GLN CB C 32 28.322 28.302 0.020 1
1 271 . 17 1 1 A 32 32 GLN C C 32 177.230 178.527 -1.297 1
1 272 . 17 1 1 A 33 33 ARG N N 33 117.232 119.308 -2.076 1
1 273 . 17 1 1 A 33 33 ARG H H 33 7.068 7.870 -0.802 1
1 274 . 17 1 1 A 33 33 ARG CA C 33 58.313 58.902 -0.589 1
1 275 . 17 1 1 A 33 33 ARG HA H 33 4.101 4.146 -0.045 1
1 276 . 17 1 1 A 33 33 ARG CB C 33 29.942 29.887 0.055 1
1 285 . 17 1 1 A 33 33 ARG C C 33 178.473 179.089 -0.616 1
1 286 . 17 1 1 A 34 34 ILE N N 34 116.070 116.435 -0.365 1
1 287 . 17 1 1 A 34 34 ILE H H 34 7.787 7.931 -0.144 1
1 288 . 17 1 1 A 34 34 ILE CA C 34 62.914 62.909 0.005 1
1 289 . 17 1 1 A 34 34 ILE HA H 34 3.973 3.831 0.142 1
1 290 . 17 1 1 A 34 34 ILE CB C 34 37.629 37.122 0.507 1
1 303 . 17 1 1 A 34 34 ILE C C 34 177.355 176.270 1.085 1
1 304 . 17 1 1 A 35 35 HIS N N 35 117.906 119.649 -1.743 1
1 305 . 17 1 1 A 35 35 HIS H H 35 7.208 7.721 -0.513 1
1 306 . 17 1 1 A 35 35 HIS CA C 35 55.220 55.450 -0.230 1
1 307 . 17 1 1 A 35 35 HIS HA H 35 4.832 4.746 0.086 1
1 308 . 17 1 1 A 35 35 HIS CB C 35 28.533 29.889 -1.356 1
1 315 . 17 1 1 A 35 35 HIS C C 35 175.765 175.518 0.247 1
1 316 . 17 1 1 A 36 36 THR N N 36 111.781 111.175 0.606 1
1 317 . 17 1 1 A 36 36 THR H H 36 7.764 7.823 -0.059 1
1 318 . 17 1 1 A 36 36 THR CA C 36 62.457 62.323 0.134 1
1 319 . 17 1 1 A 36 36 THR HA H 36 4.330 4.540 -0.210 1
1 320 . 17 1 1 A 36 36 THR CB C 36 69.813 70.265 -0.452 1
1 326 . 17 1 1 A 36 36 THR C C 36 175.440 176.383 -0.943 1
1 327 . 17 1 1 A 37 37 GLY N N 37 110.636 109.450 1.186 1
1 328 . 17 1 1 A 37 37 GLY H H 37 8.211 7.482 0.729 1
1 329 . 17 1 1 A 37 37 GLY CA C 37 45.325 45.672 -0.347 1
1 330 . 17 1 1 A 37 37 GLY HA2 H 37 3.923 4.054 -0.131 1
1 331 . 17 1 1 A 37 37 GLY HA3 H 37 4.004 4.062 -0.058 1
1 332 . 17 1 1 A 37 37 GLY C C 37 174.040 174.272 -0.232 1
1 333 . 17 1 1 A 38 38 GLU N N 38 120.567 120.968 -0.401 1
1 334 . 17 1 1 A 38 38 GLU H H 38 8.073 7.683 0.390 1
1 335 . 17 1 1 A 38 38 GLU CA C 38 56.418 56.737 -0.319 1
1 336 . 17 1 1 A 38 38 GLU HA H 38 4.217 4.258 -0.041 1
1 337 . 17 1 1 A 38 38 GLU CB C 38 30.522 29.727 0.795 1
1 343 . 17 1 1 A 38 38 GLU C C 38 176.215 175.684 0.531 1
1 344 . 17 1 1 A 39 39 LYS N N 39 123.787 128.293 -4.506 1
1 345 . 17 1 1 A 39 39 LYS H H 39 8.387 8.451 -0.064 1
1 346 . 17 1 1 A 39 39 LYS CA C 39 54.102 52.740 1.362 1
1 347 . 17 1 1 A 39 39 LYS HA H 39 4.575 4.933 -0.358 1
1 348 . 17 1 1 A 39 39 LYS CB C 39 32.422 33.743 -1.321 1
1 359 . 17 1 1 A 39 39 LYS C C 39 174.478 175.082 -0.604 1
1 360 . 17 1 1 A 40 40 PRO CA C 40 63.208 65.567 -2.359 1
1 361 . 17 1 1 A 40 40 PRO HA H 40 4.440 4.342 0.098 1
1 362 . 17 1 1 A 40 40 PRO CB C 40 32.147 31.612 0.535 1
1 371 . 17 1 1 A 43 43 PRO CA C 43 63.124 63.617 -0.493 1
1 372 . 17 1 1 A 43 43 PRO HA H 43 4.417 4.382 0.035 1
1 373 . 17 1 1 A 43 43 PRO CB C 43 32.161 31.969 0.192 1
1 382 . 17 1 1 A 45 45 SER CA C 45 58.357 57.625 0.732 1
1 383 . 17 1 1 A 45 45 SER HA H 45 4.478 4.662 -0.184 1
1 384 . 17 1 1 A 45 45 SER CB C 45 63.886 65.614 -1.728 1
1 387 . 17 1 1 A 45 45 SER C C 45 173.890 174.141 -0.251 1
1 1 . 18 1 1 A 10 10 THR CA C 10 62.043 60.056 1.987 1
1 2 . 18 1 1 A 10 10 THR HA H 10 4.275 5.089 -0.814 1
1 3 . 18 1 1 A 10 10 THR CB C 10 69.619 71.909 -2.290 1
1 9 . 18 1 1 A 10 10 THR C C 10 174.384 172.262 2.122 1
1 10 . 18 1 1 A 11 11 LYS N N 11 124.060 128.671 -4.611 1
1 11 . 18 1 1 A 11 11 LYS H H 11 8.302 8.727 -0.425 1
1 12 . 18 1 1 A 11 11 LYS CA C 11 55.798 54.136 1.662 1
1 13 . 18 1 1 A 11 11 LYS HA H 11 4.240 4.919 -0.679 1
1 14 . 18 1 1 A 11 11 LYS CB C 11 32.582 35.856 -3.274 1
1 25 . 18 1 1 A 11 11 LYS C C 11 175.995 176.794 -0.799 1
1 26 . 18 1 1 A 12 12 SER N N 12 116.110 118.413 -2.303 1
1 27 . 18 1 1 A 12 12 SER H H 12 7.977 8.794 -0.817 1
1 28 . 18 1 1 A 12 12 SER CA C 12 58.636 62.309 -3.673 1
1 29 . 18 1 1 A 12 12 SER HA H 12 4.260 3.997 0.263 1
1 30 . 18 1 1 A 12 12 SER CB C 12 64.029 62.859 1.170 1
1 33 . 18 1 1 A 12 12 SER C C 12 173.332 175.114 -1.782 1
1 34 . 18 1 1 A 13 13 HIS N N 13 122.195 116.839 5.356 1
1 35 . 18 1 1 A 13 13 HIS H H 13 8.407 8.048 0.359 1
1 36 . 18 1 1 A 13 13 HIS CA C 13 55.603 54.737 0.866 1
1 37 . 18 1 1 A 13 13 HIS HA H 13 4.625 4.814 -0.189 1
1 38 . 18 1 1 A 13 13 HIS CB C 13 31.227 27.951 3.276 1
1 45 . 18 1 1 A 13 13 HIS C C 13 174.550 174.179 0.371 1
1 46 . 18 1 1 A 14 14 GLN N N 14 123.997 124.665 -0.668 1
1 47 . 18 1 1 A 14 14 GLN H H 14 8.662 8.846 -0.184 1
1 48 . 18 1 1 A 14 14 GLN CA C 14 54.912 54.998 -0.086 1
1 49 . 18 1 1 A 14 14 GLN HA H 14 4.909 5.028 -0.119 1
1 50 . 18 1 1 A 14 14 GLN CB C 14 31.614 30.348 1.266 1
1 59 . 18 1 1 A 14 14 GLN C C 14 174.837 176.088 -1.251 1
1 60 . 18 1 1 A 15 15 CYS N N 15 126.364 124.563 1.801 1
1 61 . 18 1 1 A 15 15 CYS H H 15 9.186 9.057 0.129 1
1 62 . 18 1 1 A 15 15 CYS CA C 15 59.390 59.625 -0.235 1
1 63 . 18 1 1 A 15 15 CYS HA H 15 4.532 4.768 -0.236 1
1 64 . 18 1 1 A 15 15 CYS CB C 15 29.575 29.178 0.397 1
1 67 . 18 1 1 A 15 15 CYS C C 15 177.214 174.764 2.450 1
1 68 . 18 1 1 A 16 16 HIS CA C 16 58.476 57.705 0.771 1
1 69 . 18 1 1 A 16 16 HIS HA H 16 4.471 4.642 -0.171 1
1 70 . 18 1 1 A 16 16 HIS CB C 16 29.832 31.382 -1.550 1
1 77 . 18 1 1 A 16 16 HIS C C 16 175.596 177.151 -1.555 1
1 78 . 18 1 1 A 17 17 GLU N N 17 120.837 118.315 2.522 1
1 79 . 18 1 1 A 17 17 GLU H H 17 8.472 7.775 0.697 1
1 80 . 18 1 1 A 17 17 GLU CA C 17 58.401 58.658 -0.257 1
1 81 . 18 1 1 A 17 17 GLU HA H 17 4.121 3.967 0.154 1
1 82 . 18 1 1 A 17 17 GLU CB C 17 29.314 29.433 -0.119 1
1 88 . 18 1 1 A 17 17 GLU C C 17 177.130 177.793 -0.663 1
1 89 . 18 1 1 A 18 18 CYS N N 18 114.120 114.901 -0.781 1
1 90 . 18 1 1 A 18 18 CYS H H 18 7.802 7.875 -0.073 1
1 91 . 18 1 1 A 18 18 CYS CA C 18 58.221 59.312 -1.091 1
1 92 . 18 1 1 A 18 18 CYS HA H 18 5.117 4.648 0.469 1
1 93 . 18 1 1 A 18 18 CYS CB C 18 32.389 30.386 2.003 1
1 96 . 18 1 1 A 18 18 CYS C C 18 176.179 175.841 0.338 1
1 97 . 18 1 1 A 19 19 GLY N N 19 113.325 110.595 2.730 1
1 98 . 18 1 1 A 19 19 GLY H H 19 8.099 8.234 -0.135 1
1 99 . 18 1 1 A 19 19 GLY CA C 19 46.177 45.435 0.742 1
1 100 . 18 1 1 A 19 19 GLY HA2 H 19 3.804 3.958 -0.154 1
1 101 . 18 1 1 A 19 19 GLY HA3 H 19 4.212 3.989 0.223 1
1 102 . 18 1 1 A 19 19 GLY C C 19 173.985 174.686 -0.701 1
1 103 . 18 1 1 A 20 20 ARG N N 20 122.410 119.518 2.892 1
1 104 . 18 1 1 A 20 20 ARG H H 20 7.910 7.299 0.611 1
1 105 . 18 1 1 A 20 20 ARG CA C 20 57.691 55.596 2.095 1
1 106 . 18 1 1 A 20 20 ARG HA H 20 3.970 4.349 -0.379 1
1 107 . 18 1 1 A 20 20 ARG CB C 20 31.437 31.723 -0.286 1
1 116 . 18 1 1 A 20 20 ARG C C 20 174.491 175.279 -0.788 1
1 117 . 18 1 1 A 21 21 GLY N N 21 108.663 107.707 0.956 1
1 118 . 18 1 1 A 21 21 GLY H H 21 8.053 8.224 -0.171 1
1 119 . 18 1 1 A 21 21 GLY CA C 21 43.942 44.202 -0.260 1
1 120 . 18 1 1 A 21 21 GLY HA2 H 21 3.349 4.095 -0.746 1
1 121 . 18 1 1 A 21 21 GLY HA3 H 21 4.767 4.162 0.605 1
1 122 . 18 1 1 A 21 21 GLY C C 21 172.522 171.603 0.919 1
1 123 . 18 1 1 A 22 22 PHE N N 22 117.603 124.026 -6.423 1
1 124 . 18 1 1 A 22 22 PHE H H 22 8.383 8.576 -0.193 1
1 125 . 18 1 1 A 22 22 PHE CA C 22 57.190 56.476 0.714 1
1 126 . 18 1 1 A 22 22 PHE HA H 22 4.803 4.965 -0.162 1
1 127 . 18 1 1 A 22 22 PHE CB C 22 43.726 42.162 1.564 1
1 140 . 18 1 1 A 22 22 PHE C C 22 175.623 176.139 -0.516 1
1 141 . 18 1 1 A 23 23 THR CA C 23 64.469 66.037 -1.568 1
1 142 . 18 1 1 A 23 23 THR HA H 23 4.405 4.246 0.159 1
1 143 . 18 1 1 A 23 23 THR CB C 23 69.258 68.912 0.346 1
1 149 . 18 1 1 A 23 23 THR C C 23 174.733 175.326 -0.593 1
1 150 . 18 1 1 A 24 24 LEU N N 24 118.621 122.469 -3.848 1
1 151 . 18 1 1 A 24 24 LEU H H 24 7.397 8.261 -0.864 1
1 152 . 18 1 1 A 24 24 LEU CA C 24 52.956 54.298 -1.342 1
1 153 . 18 1 1 A 24 24 LEU HA H 24 4.672 4.491 0.181 1
1 154 . 18 1 1 A 24 24 LEU CB C 24 44.907 42.190 2.717 1
1 167 . 18 1 1 A 24 24 LEU C C 24 177.120 177.733 -0.613 1
1 168 . 18 1 1 A 25 25 LYS N N 25 125.592 124.147 1.445 1
1 169 . 18 1 1 A 25 25 LYS H H 25 8.555 8.820 -0.265 1
1 170 . 18 1 1 A 25 25 LYS CA C 25 59.139 58.398 0.741 1
1 171 . 18 1 1 A 25 25 LYS HA H 25 3.201 3.338 -0.137 1
1 172 . 18 1 1 A 25 25 LYS CB C 25 31.829 31.734 0.095 1
1 184 . 18 1 1 A 25 25 LYS C C 25 178.110 178.282 -0.172 1
1 185 . 18 1 1 A 26 26 SER CA C 26 60.759 60.798 -0.039 1
1 186 . 18 1 1 A 26 26 SER HA H 26 4.034 4.181 -0.147 1
1 187 . 18 1 1 A 26 26 SER CB C 26 61.446 62.643 -1.197 1
1 190 . 18 1 1 A 26 26 SER C C 26 177.426 177.113 0.313 1
1 191 . 18 1 1 A 27 27 HIS N N 27 121.342 119.115 2.227 1
1 192 . 18 1 1 A 27 27 HIS H H 27 6.706 7.486 -0.780 1
1 193 . 18 1 1 A 27 27 HIS CA C 27 57.237 59.271 -2.034 1
1 194 . 18 1 1 A 27 27 HIS HA H 27 4.420 4.284 0.136 1
1 195 . 18 1 1 A 27 27 HIS CB C 27 31.574 29.644 1.930 1
1 202 . 18 1 1 A 27 27 HIS C C 27 178.457 177.360 1.097 1
1 203 . 18 1 1 A 28 28 LEU N N 28 122.540 120.489 2.051 1
1 204 . 18 1 1 A 28 28 LEU H H 28 7.190 7.543 -0.353 1
1 205 . 18 1 1 A 28 28 LEU CA C 28 57.976 57.645 0.331 1
1 206 . 18 1 1 A 28 28 LEU HA H 28 3.191 2.563 0.628 1
1 207 . 18 1 1 A 28 28 LEU CB C 28 40.034 41.151 -1.117 1
1 220 . 18 1 1 A 28 28 LEU C C 28 177.619 178.314 -0.695 1
1 221 . 18 1 1 A 29 29 ASN N N 29 117.886 117.146 0.740 1
1 222 . 18 1 1 A 29 29 ASN H H 29 8.500 7.753 0.747 1
1 223 . 18 1 1 A 29 29 ASN CA C 29 56.124 56.467 -0.343 1
1 224 . 18 1 1 A 29 29 ASN HA H 29 4.427 4.298 0.129 1
1 225 . 18 1 1 A 29 29 ASN CB C 29 37.934 39.345 -1.411 1
1 231 . 18 1 1 A 29 29 ASN C C 29 178.015 178.036 -0.021 1
1 232 . 18 1 1 A 30 30 GLN N N 30 118.146 118.907 -0.761 1
1 233 . 18 1 1 A 30 30 GLN H H 30 7.682 7.738 -0.056 1
1 234 . 18 1 1 A 30 30 GLN CA C 30 58.640 58.382 0.258 1
1 235 . 18 1 1 A 30 30 GLN HA H 30 3.961 4.082 -0.121 1
1 236 . 18 1 1 A 30 30 GLN CB C 30 28.485 28.663 -0.178 1
1 245 . 18 1 1 A 30 30 GLN C C 30 178.333 178.112 0.221 1
1 246 . 18 1 1 A 31 31 HIS N N 31 119.699 119.876 -0.177 1
1 247 . 18 1 1 A 31 31 HIS H H 31 7.693 7.867 -0.174 1
1 248 . 18 1 1 A 31 31 HIS CA C 31 58.923 59.176 -0.253 1
1 249 . 18 1 1 A 31 31 HIS HA H 31 4.181 4.138 0.043 1
1 250 . 18 1 1 A 31 31 HIS CB C 31 28.433 29.707 -1.274 1
1 257 . 18 1 1 A 31 31 HIS C C 31 176.132 177.304 -1.172 1
1 258 . 18 1 1 A 32 32 GLN N N 32 115.052 118.845 -3.793 1
1 259 . 18 1 1 A 32 32 GLN H H 32 8.305 8.554 -0.249 1
1 260 . 18 1 1 A 32 32 GLN CA C 32 59.218 58.295 0.923 1
1 261 . 18 1 1 A 32 32 GLN HA H 32 3.660 3.938 -0.278 1
1 262 . 18 1 1 A 32 32 GLN CB C 32 28.322 28.630 -0.308 1
1 271 . 18 1 1 A 32 32 GLN C C 32 177.230 177.827 -0.597 1
1 272 . 18 1 1 A 33 33 ARG N N 33 117.232 118.900 -1.668 1
1 273 . 18 1 1 A 33 33 ARG H H 33 7.068 7.898 -0.830 1
1 274 . 18 1 1 A 33 33 ARG CA C 33 58.313 58.152 0.161 1
1 275 . 18 1 1 A 33 33 ARG HA H 33 4.101 4.027 0.074 1
1 276 . 18 1 1 A 33 33 ARG CB C 33 29.942 30.102 -0.160 1
1 285 . 18 1 1 A 33 33 ARG C C 33 178.473 177.903 0.570 1
1 286 . 18 1 1 A 34 34 ILE N N 34 116.070 114.807 1.263 1
1 287 . 18 1 1 A 34 34 ILE H H 34 7.787 7.364 0.423 1
1 288 . 18 1 1 A 34 34 ILE CA C 34 62.914 63.867 -0.953 1
1 289 . 18 1 1 A 34 34 ILE HA H 34 3.973 3.792 0.181 1
1 290 . 18 1 1 A 34 34 ILE CB C 34 37.629 37.183 0.446 1
1 303 . 18 1 1 A 34 34 ILE C C 34 177.355 176.648 0.707 1
1 304 . 18 1 1 A 35 35 HIS N N 35 117.906 119.394 -1.488 1
1 305 . 18 1 1 A 35 35 HIS H H 35 7.208 7.374 -0.166 1
1 306 . 18 1 1 A 35 35 HIS CA C 35 55.220 56.035 -0.815 1
1 307 . 18 1 1 A 35 35 HIS HA H 35 4.832 4.613 0.219 1
1 308 . 18 1 1 A 35 35 HIS CB C 35 28.533 29.923 -1.390 1
1 315 . 18 1 1 A 35 35 HIS C C 35 175.765 174.841 0.924 1
1 316 . 18 1 1 A 36 36 THR N N 36 111.781 113.024 -1.243 1
1 317 . 18 1 1 A 36 36 THR H H 36 7.764 7.461 0.303 1
1 318 . 18 1 1 A 36 36 THR CA C 36 62.457 60.233 2.224 1
1 319 . 18 1 1 A 36 36 THR HA H 36 4.330 4.657 -0.327 1
1 320 . 18 1 1 A 36 36 THR CB C 36 69.813 71.322 -1.509 1
1 326 . 18 1 1 A 36 36 THR C C 36 175.440 172.938 2.502 1
1 327 . 18 1 1 A 37 37 GLY N N 37 110.636 114.338 -3.702 1
1 328 . 18 1 1 A 37 37 GLY H H 37 8.211 8.678 -0.467 1
1 329 . 18 1 1 A 37 37 GLY CA C 37 45.325 44.977 0.348 1
1 330 . 18 1 1 A 37 37 GLY HA2 H 37 3.923 4.173 -0.250 1
1 331 . 18 1 1 A 37 37 GLY HA3 H 37 4.004 4.177 -0.173 1
1 332 . 18 1 1 A 37 37 GLY C C 37 174.040 173.975 0.065 1
1 333 . 18 1 1 A 38 38 GLU N N 38 120.567 120.376 0.191 1
1 334 . 18 1 1 A 38 38 GLU H H 38 8.073 8.317 -0.244 1
1 335 . 18 1 1 A 38 38 GLU CA C 38 56.418 55.974 0.444 1
1 336 . 18 1 1 A 38 38 GLU HA H 38 4.217 4.490 -0.273 1
1 337 . 18 1 1 A 38 38 GLU CB C 38 30.522 30.776 -0.254 1
1 343 . 18 1 1 A 38 38 GLU C C 38 176.215 175.074 1.141 1
1 344 . 18 1 1 A 39 39 LYS N N 39 123.787 120.688 3.099 1
1 345 . 18 1 1 A 39 39 LYS H H 39 8.387 7.411 0.976 1
1 346 . 18 1 1 A 39 39 LYS CA C 39 54.102 52.963 1.139 1
1 347 . 18 1 1 A 39 39 LYS HA H 39 4.575 4.803 -0.228 1
1 348 . 18 1 1 A 39 39 LYS CB C 39 32.422 35.846 -3.424 1
1 359 . 18 1 1 A 39 39 LYS C C 39 174.478 174.386 0.092 1
1 360 . 18 1 1 A 40 40 PRO CA C 40 63.208 62.711 0.497 1
1 361 . 18 1 1 A 40 40 PRO HA H 40 4.440 4.670 -0.230 1
1 362 . 18 1 1 A 40 40 PRO CB C 40 32.147 32.099 0.048 1
1 371 . 18 1 1 A 43 43 PRO CA C 43 63.124 62.894 0.230 1
1 372 . 18 1 1 A 43 43 PRO HA H 43 4.417 4.323 0.094 1
1 373 . 18 1 1 A 43 43 PRO CB C 43 32.161 32.685 -0.524 1
1 382 . 18 1 1 A 45 45 SER CA C 45 58.357 59.293 -0.936 1
1 383 . 18 1 1 A 45 45 SER HA H 45 4.478 4.136 0.342 1
1 384 . 18 1 1 A 45 45 SER CB C 45 63.886 62.085 1.801 1
1 387 . 18 1 1 A 45 45 SER C C 45 173.890 173.727 0.163 1
1 1 . 19 1 1 A 10 10 THR CA C 10 62.043 66.580 -4.537 1
1 2 . 19 1 1 A 10 10 THR HA H 10 4.275 3.918 0.357 1
1 3 . 19 1 1 A 10 10 THR CB C 10 69.619 68.432 1.187 1
1 9 . 19 1 1 A 10 10 THR C C 10 174.384 174.284 0.100 1
1 10 . 19 1 1 A 11 11 LYS N N 11 124.060 119.147 4.913 1
1 11 . 19 1 1 A 11 11 LYS H H 11 8.302 7.881 0.421 1
1 12 . 19 1 1 A 11 11 LYS CA C 11 55.798 54.355 1.443 1
1 13 . 19 1 1 A 11 11 LYS HA H 11 4.240 4.758 -0.518 1
1 14 . 19 1 1 A 11 11 LYS CB C 11 32.582 35.428 -2.846 1
1 25 . 19 1 1 A 11 11 LYS C C 11 175.995 177.109 -1.114 1
1 26 . 19 1 1 A 12 12 SER N N 12 116.110 118.215 -2.105 1
1 27 . 19 1 1 A 12 12 SER H H 12 7.977 8.737 -0.760 1
1 28 . 19 1 1 A 12 12 SER CA C 12 58.636 61.668 -3.032 1
1 29 . 19 1 1 A 12 12 SER HA H 12 4.260 3.997 0.263 1
1 30 . 19 1 1 A 12 12 SER CB C 12 64.029 62.769 1.260 1
1 33 . 19 1 1 A 12 12 SER C C 12 173.332 173.826 -0.494 1
1 34 . 19 1 1 A 13 13 HIS N N 13 122.195 117.253 4.942 1
1 35 . 19 1 1 A 13 13 HIS H H 13 8.407 7.234 1.173 1
1 36 . 19 1 1 A 13 13 HIS CA C 13 55.603 54.754 0.849 1
1 37 . 19 1 1 A 13 13 HIS HA H 13 4.625 5.296 -0.671 1
1 38 . 19 1 1 A 13 13 HIS CB C 13 31.227 32.091 -0.864 1
1 45 . 19 1 1 A 13 13 HIS C C 13 174.550 173.782 0.768 1
1 46 . 19 1 1 A 14 14 GLN N N 14 123.997 124.700 -0.703 1
1 47 . 19 1 1 A 14 14 GLN H H 14 8.662 9.219 -0.557 1
1 48 . 19 1 1 A 14 14 GLN CA C 14 54.912 53.840 1.072 1
1 49 . 19 1 1 A 14 14 GLN HA H 14 4.909 5.551 -0.642 1
1 50 . 19 1 1 A 14 14 GLN CB C 14 31.614 32.336 -0.722 1
1 59 . 19 1 1 A 14 14 GLN C C 14 174.837 175.456 -0.619 1
1 60 . 19 1 1 A 15 15 CYS N N 15 126.364 124.615 1.749 1
1 61 . 19 1 1 A 15 15 CYS H H 15 9.186 9.532 -0.346 1
1 62 . 19 1 1 A 15 15 CYS CA C 15 59.390 59.831 -0.441 1
1 63 . 19 1 1 A 15 15 CYS HA H 15 4.532 4.840 -0.308 1
1 64 . 19 1 1 A 15 15 CYS CB C 15 29.575 29.009 0.566 1
1 67 . 19 1 1 A 15 15 CYS C C 15 177.214 175.107 2.107 1
1 68 . 19 1 1 A 16 16 HIS CA C 16 58.476 56.993 1.483 1
1 69 . 19 1 1 A 16 16 HIS HA H 16 4.471 4.675 -0.204 1
1 70 . 19 1 1 A 16 16 HIS CB C 16 29.832 31.653 -1.821 1
1 77 . 19 1 1 A 16 16 HIS C C 16 175.596 176.397 -0.801 1
1 78 . 19 1 1 A 17 17 GLU N N 17 120.837 119.653 1.184 1
1 79 . 19 1 1 A 17 17 GLU H H 17 8.472 7.790 0.682 1
1 80 . 19 1 1 A 17 17 GLU CA C 17 58.401 58.679 -0.278 1
1 81 . 19 1 1 A 17 17 GLU HA H 17 4.121 3.989 0.132 1
1 82 . 19 1 1 A 17 17 GLU CB C 17 29.314 29.291 0.023 1
1 88 . 19 1 1 A 17 17 GLU C C 17 177.130 177.869 -0.739 1
1 89 . 19 1 1 A 18 18 CYS N N 18 114.120 115.088 -0.968 1
1 90 . 19 1 1 A 18 18 CYS H H 18 7.802 7.992 -0.190 1
1 91 . 19 1 1 A 18 18 CYS CA C 18 58.221 59.449 -1.228 1
1 92 . 19 1 1 A 18 18 CYS HA H 18 5.117 4.671 0.446 1
1 93 . 19 1 1 A 18 18 CYS CB C 18 32.389 30.248 2.141 1
1 96 . 19 1 1 A 18 18 CYS C C 18 176.179 175.687 0.492 1
1 97 . 19 1 1 A 19 19 GLY N N 19 113.325 110.501 2.824 1
1 98 . 19 1 1 A 19 19 GLY H H 19 8.099 8.338 -0.239 1
1 99 . 19 1 1 A 19 19 GLY CA C 19 46.177 45.487 0.690 1
1 100 . 19 1 1 A 19 19 GLY HA2 H 19 3.804 3.974 -0.170 1
1 101 . 19 1 1 A 19 19 GLY HA3 H 19 4.212 4.001 0.211 1
1 102 . 19 1 1 A 19 19 GLY C C 19 173.985 174.684 -0.699 1
1 103 . 19 1 1 A 20 20 ARG N N 20 122.410 120.236 2.174 1
1 104 . 19 1 1 A 20 20 ARG H H 20 7.910 7.431 0.479 1
1 105 . 19 1 1 A 20 20 ARG CA C 20 57.691 55.775 1.916 1
1 106 . 19 1 1 A 20 20 ARG HA H 20 3.970 4.356 -0.386 1
1 107 . 19 1 1 A 20 20 ARG CB C 20 31.437 32.170 -0.733 1
1 116 . 19 1 1 A 20 20 ARG C C 20 174.491 175.314 -0.823 1
1 117 . 19 1 1 A 21 21 GLY N N 21 108.663 107.526 1.137 1
1 118 . 19 1 1 A 21 21 GLY H H 21 8.053 8.075 -0.022 1
1 119 . 19 1 1 A 21 21 GLY CA C 21 43.942 43.918 0.024 1
1 120 . 19 1 1 A 21 21 GLY HA2 H 21 3.349 4.211 -0.862 1
1 121 . 19 1 1 A 21 21 GLY HA3 H 21 4.767 4.324 0.443 1
1 122 . 19 1 1 A 21 21 GLY C C 21 172.522 171.692 0.830 1
1 123 . 19 1 1 A 22 22 PHE N N 22 117.603 121.523 -3.920 1
1 124 . 19 1 1 A 22 22 PHE H H 22 8.383 8.699 -0.316 1
1 125 . 19 1 1 A 22 22 PHE CA C 22 57.190 56.423 0.767 1
1 126 . 19 1 1 A 22 22 PHE HA H 22 4.803 4.996 -0.193 1
1 127 . 19 1 1 A 22 22 PHE CB C 22 43.726 42.456 1.270 1
1 140 . 19 1 1 A 22 22 PHE C C 22 175.623 175.854 -0.231 1
1 141 . 19 1 1 A 23 23 THR CA C 23 64.469 65.989 -1.520 1
1 142 . 19 1 1 A 23 23 THR HA H 23 4.405 4.159 0.246 1
1 143 . 19 1 1 A 23 23 THR CB C 23 69.258 68.595 0.663 1
1 149 . 19 1 1 A 23 23 THR C C 23 174.733 175.595 -0.862 1
1 150 . 19 1 1 A 24 24 LEU N N 24 118.621 122.658 -4.037 1
1 151 . 19 1 1 A 24 24 LEU H H 24 7.397 8.275 -0.878 1
1 152 . 19 1 1 A 24 24 LEU CA C 24 52.956 54.233 -1.277 1
1 153 . 19 1 1 A 24 24 LEU HA H 24 4.672 4.546 0.126 1
1 154 . 19 1 1 A 24 24 LEU CB C 24 44.907 42.410 2.497 1
1 167 . 19 1 1 A 24 24 LEU C C 24 177.120 177.535 -0.415 1
1 168 . 19 1 1 A 25 25 LYS N N 25 125.592 125.680 -0.088 1
1 169 . 19 1 1 A 25 25 LYS H H 25 8.555 8.955 -0.400 1
1 170 . 19 1 1 A 25 25 LYS CA C 25 59.139 59.048 0.091 1
1 171 . 19 1 1 A 25 25 LYS HA H 25 3.201 3.504 -0.303 1
1 172 . 19 1 1 A 25 25 LYS CB C 25 31.829 31.693 0.136 1
1 184 . 19 1 1 A 25 25 LYS C C 25 178.110 178.170 -0.060 1
1 185 . 19 1 1 A 26 26 SER CA C 26 60.759 61.256 -0.497 1
1 186 . 19 1 1 A 26 26 SER HA H 26 4.034 4.096 -0.062 1
1 187 . 19 1 1 A 26 26 SER CB C 26 61.446 62.250 -0.804 1
1 190 . 19 1 1 A 26 26 SER C C 26 177.426 176.996 0.430 1
1 191 . 19 1 1 A 27 27 HIS N N 27 121.342 118.947 2.395 1
1 192 . 19 1 1 A 27 27 HIS H H 27 6.706 7.795 -1.089 1
1 193 . 19 1 1 A 27 27 HIS CA C 27 57.237 59.059 -1.822 1
1 194 . 19 1 1 A 27 27 HIS HA H 27 4.420 4.172 0.248 1
1 195 . 19 1 1 A 27 27 HIS CB C 27 31.574 29.978 1.596 1
1 202 . 19 1 1 A 27 27 HIS C C 27 178.457 177.202 1.255 1
1 203 . 19 1 1 A 28 28 LEU N N 28 122.540 120.351 2.189 1
1 204 . 19 1 1 A 28 28 LEU H H 28 7.190 7.636 -0.446 1
1 205 . 19 1 1 A 28 28 LEU CA C 28 57.976 58.065 -0.089 1
1 206 . 19 1 1 A 28 28 LEU HA H 28 3.191 2.701 0.490 1
1 207 . 19 1 1 A 28 28 LEU CB C 28 40.034 41.648 -1.614 1
1 220 . 19 1 1 A 28 28 LEU C C 28 177.619 178.089 -0.470 1
1 221 . 19 1 1 A 29 29 ASN N N 29 117.886 116.793 1.093 1
1 222 . 19 1 1 A 29 29 ASN H H 29 8.500 7.761 0.739 1
1 223 . 19 1 1 A 29 29 ASN CA C 29 56.124 56.585 -0.461 1
1 224 . 19 1 1 A 29 29 ASN HA H 29 4.427 4.348 0.079 1
1 225 . 19 1 1 A 29 29 ASN CB C 29 37.934 38.603 -0.669 1
1 231 . 19 1 1 A 29 29 ASN C C 29 178.015 177.596 0.419 1
1 232 . 19 1 1 A 30 30 GLN N N 30 118.146 119.077 -0.931 1
1 233 . 19 1 1 A 30 30 GLN H H 30 7.682 7.685 -0.003 1
1 234 . 19 1 1 A 30 30 GLN CA C 30 58.640 58.575 0.065 1
1 235 . 19 1 1 A 30 30 GLN HA H 30 3.961 3.971 -0.010 1
1 236 . 19 1 1 A 30 30 GLN CB C 30 28.485 28.169 0.316 1
1 245 . 19 1 1 A 30 30 GLN C C 30 178.333 178.264 0.069 1
1 246 . 19 1 1 A 31 31 HIS N N 31 119.699 119.575 0.124 1
1 247 . 19 1 1 A 31 31 HIS H H 31 7.693 8.187 -0.494 1
1 248 . 19 1 1 A 31 31 HIS CA C 31 58.923 59.762 -0.839 1
1 249 . 19 1 1 A 31 31 HIS HA H 31 4.181 4.137 0.044 1
1 250 . 19 1 1 A 31 31 HIS CB C 31 28.433 29.224 -0.791 1
1 257 . 19 1 1 A 31 31 HIS C C 31 176.132 177.227 -1.095 1
1 258 . 19 1 1 A 32 32 GLN N N 32 115.052 117.583 -2.531 1
1 259 . 19 1 1 A 32 32 GLN H H 32 8.305 8.535 -0.230 1
1 260 . 19 1 1 A 32 32 GLN CA C 32 59.218 59.031 0.187 1
1 261 . 19 1 1 A 32 32 GLN HA H 32 3.660 3.946 -0.286 1
1 262 . 19 1 1 A 32 32 GLN CB C 32 28.322 28.301 0.021 1
1 271 . 19 1 1 A 32 32 GLN C C 32 177.230 178.584 -1.354 1
1 272 . 19 1 1 A 33 33 ARG N N 33 117.232 119.265 -2.033 1
1 273 . 19 1 1 A 33 33 ARG H H 33 7.068 7.709 -0.641 1
1 274 . 19 1 1 A 33 33 ARG CA C 33 58.313 58.948 -0.635 1
1 275 . 19 1 1 A 33 33 ARG HA H 33 4.101 4.235 -0.134 1
1 276 . 19 1 1 A 33 33 ARG CB C 33 29.942 29.876 0.066 1
1 285 . 19 1 1 A 33 33 ARG C C 33 178.473 179.080 -0.607 1
1 286 . 19 1 1 A 34 34 ILE N N 34 116.070 116.239 -0.169 1
1 287 . 19 1 1 A 34 34 ILE H H 34 7.787 7.824 -0.037 1
1 288 . 19 1 1 A 34 34 ILE CA C 34 62.914 62.909 0.005 1
1 289 . 19 1 1 A 34 34 ILE HA H 34 3.973 3.805 0.168 1
1 290 . 19 1 1 A 34 34 ILE CB C 34 37.629 37.133 0.496 1
1 303 . 19 1 1 A 34 34 ILE C C 34 177.355 176.405 0.950 1
1 304 . 19 1 1 A 35 35 HIS N N 35 117.906 118.999 -1.093 1
1 305 . 19 1 1 A 35 35 HIS H H 35 7.208 7.875 -0.667 1
1 306 . 19 1 1 A 35 35 HIS CA C 35 55.220 56.831 -1.611 1
1 307 . 19 1 1 A 35 35 HIS HA H 35 4.832 4.673 0.159 1
1 308 . 19 1 1 A 35 35 HIS CB C 35 28.533 31.674 -3.141 1
1 315 . 19 1 1 A 35 35 HIS C C 35 175.765 175.144 0.621 1
1 316 . 19 1 1 A 36 36 THR N N 36 111.781 111.518 0.263 1
1 317 . 19 1 1 A 36 36 THR H H 36 7.764 7.308 0.456 1
1 318 . 19 1 1 A 36 36 THR CA C 36 62.457 62.289 0.168 1
1 319 . 19 1 1 A 36 36 THR HA H 36 4.330 4.181 0.149 1
1 320 . 19 1 1 A 36 36 THR CB C 36 69.813 69.243 0.570 1
1 326 . 19 1 1 A 36 36 THR C C 36 175.440 174.579 0.861 1
1 327 . 19 1 1 A 37 37 GLY N N 37 110.636 109.396 1.240 1
1 328 . 19 1 1 A 37 37 GLY H H 37 8.211 8.341 -0.130 1
1 329 . 19 1 1 A 37 37 GLY CA C 37 45.325 45.917 -0.592 1
1 330 . 19 1 1 A 37 37 GLY HA2 H 37 3.923 4.166 -0.243 1
1 331 . 19 1 1 A 37 37 GLY HA3 H 37 4.004 4.170 -0.166 1
1 332 . 19 1 1 A 37 37 GLY C C 37 174.040 171.346 2.694 1
1 333 . 19 1 1 A 38 38 GLU N N 38 120.567 120.445 0.122 1
1 334 . 19 1 1 A 38 38 GLU H H 38 8.073 8.613 -0.540 1
1 335 . 19 1 1 A 38 38 GLU CA C 38 56.418 55.870 0.548 1
1 336 . 19 1 1 A 38 38 GLU HA H 38 4.217 4.907 -0.690 1
1 337 . 19 1 1 A 38 38 GLU CB C 38 30.522 33.210 -2.688 1
1 343 . 19 1 1 A 38 38 GLU C C 38 176.215 175.091 1.124 1
1 344 . 19 1 1 A 39 39 LYS N N 39 123.787 128.324 -4.537 1
1 345 . 19 1 1 A 39 39 LYS H H 39 8.387 8.549 -0.162 1
1 346 . 19 1 1 A 39 39 LYS CA C 39 54.102 54.734 -0.632 1
1 347 . 19 1 1 A 39 39 LYS HA H 39 4.575 4.230 0.345 1
1 348 . 19 1 1 A 39 39 LYS CB C 39 32.422 33.021 -0.599 1
1 359 . 19 1 1 A 39 39 LYS C C 39 174.478 175.108 -0.630 1
1 360 . 19 1 1 A 40 40 PRO CA C 40 63.208 62.817 0.391 1
1 361 . 19 1 1 A 40 40 PRO HA H 40 4.440 4.608 -0.168 1
1 362 . 19 1 1 A 40 40 PRO CB C 40 32.147 32.022 0.125 1
1 371 . 19 1 1 A 43 43 PRO CA C 43 63.124 62.486 0.638 1
1 372 . 19 1 1 A 43 43 PRO HA H 43 4.417 4.596 -0.179 1
1 373 . 19 1 1 A 43 43 PRO CB C 43 32.161 33.272 -1.111 1
1 382 . 19 1 1 A 45 45 SER CA C 45 58.357 60.373 -2.016 1
1 383 . 19 1 1 A 45 45 SER HA H 45 4.478 4.202 0.276 1
1 384 . 19 1 1 A 45 45 SER CB C 45 63.886 63.367 0.519 1
1 387 . 19 1 1 A 45 45 SER C C 45 173.890 175.541 -1.651 1
1 1 . 20 1 1 A 10 10 THR CA C 10 62.043 59.928 2.115 1
1 2 . 20 1 1 A 10 10 THR HA H 10 4.275 4.997 -0.722 1
1 3 . 20 1 1 A 10 10 THR CB C 10 69.619 72.755 -3.136 1
1 9 . 20 1 1 A 10 10 THR C C 10 174.384 172.399 1.985 1
1 10 . 20 1 1 A 11 11 LYS N N 11 124.060 122.392 1.668 1
1 11 . 20 1 1 A 11 11 LYS H H 11 8.302 8.594 -0.292 1
1 12 . 20 1 1 A 11 11 LYS CA C 11 55.798 54.852 0.946 1
1 13 . 20 1 1 A 11 11 LYS HA H 11 4.240 4.914 -0.674 1
1 14 . 20 1 1 A 11 11 LYS CB C 11 32.582 36.040 -3.458 1
1 25 . 20 1 1 A 11 11 LYS C C 11 175.995 174.534 1.461 1
1 26 . 20 1 1 A 12 12 SER N N 12 116.110 118.983 -2.873 1
1 27 . 20 1 1 A 12 12 SER H H 12 7.977 8.711 -0.734 1
1 28 . 20 1 1 A 12 12 SER CA C 12 58.636 59.331 -0.695 1
1 29 . 20 1 1 A 12 12 SER HA H 12 4.260 4.574 -0.314 1
1 30 . 20 1 1 A 12 12 SER CB C 12 64.029 64.843 -0.814 1
1 33 . 20 1 1 A 12 12 SER C C 12 173.332 173.859 -0.527 1
1 34 . 20 1 1 A 13 13 HIS N N 13 122.195 115.974 6.221 1
1 35 . 20 1 1 A 13 13 HIS H H 13 8.407 7.439 0.968 1
1 36 . 20 1 1 A 13 13 HIS CA C 13 55.603 53.914 1.689 1
1 37 . 20 1 1 A 13 13 HIS HA H 13 4.625 5.328 -0.703 1
1 38 . 20 1 1 A 13 13 HIS CB C 13 31.227 33.220 -1.993 1
1 45 . 20 1 1 A 13 13 HIS C C 13 174.550 173.716 0.834 1
1 46 . 20 1 1 A 14 14 GLN N N 14 123.997 122.556 1.441 1
1 47 . 20 1 1 A 14 14 GLN H H 14 8.662 9.057 -0.395 1
1 48 . 20 1 1 A 14 14 GLN CA C 14 54.912 53.935 0.977 1
1 49 . 20 1 1 A 14 14 GLN HA H 14 4.909 5.194 -0.285 1
1 50 . 20 1 1 A 14 14 GLN CB C 14 31.614 32.403 -0.789 1
1 59 . 20 1 1 A 14 14 GLN C C 14 174.837 174.383 0.454 1
1 60 . 20 1 1 A 15 15 CYS N N 15 126.364 123.621 2.743 1
1 61 . 20 1 1 A 15 15 CYS H H 15 9.186 9.401 -0.215 1
1 62 . 20 1 1 A 15 15 CYS CA C 15 59.390 59.306 0.084 1
1 63 . 20 1 1 A 15 15 CYS HA H 15 4.532 4.846 -0.314 1
1 64 . 20 1 1 A 15 15 CYS CB C 15 29.575 29.436 0.139 1
1 67 . 20 1 1 A 15 15 CYS C C 15 177.214 174.804 2.410 1
1 68 . 20 1 1 A 16 16 HIS CA C 16 58.476 57.032 1.444 1
1 69 . 20 1 1 A 16 16 HIS HA H 16 4.471 4.685 -0.214 1
1 70 . 20 1 1 A 16 16 HIS CB C 16 29.832 31.835 -2.003 1
1 77 . 20 1 1 A 16 16 HIS C C 16 175.596 177.092 -1.496 1
1 78 . 20 1 1 A 17 17 GLU N N 17 120.837 118.258 2.579 1
1 79 . 20 1 1 A 17 17 GLU H H 17 8.472 7.872 0.600 1
1 80 . 20 1 1 A 17 17 GLU CA C 17 58.401 58.628 -0.227 1
1 81 . 20 1 1 A 17 17 GLU HA H 17 4.121 3.912 0.209 1
1 82 . 20 1 1 A 17 17 GLU CB C 17 29.314 29.522 -0.208 1
1 88 . 20 1 1 A 17 17 GLU C C 17 177.130 177.798 -0.668 1
1 89 . 20 1 1 A 18 18 CYS N N 18 114.120 114.988 -0.868 1
1 90 . 20 1 1 A 18 18 CYS H H 18 7.802 7.884 -0.082 1
1 91 . 20 1 1 A 18 18 CYS CA C 18 58.221 59.236 -1.015 1
1 92 . 20 1 1 A 18 18 CYS HA H 18 5.117 4.658 0.459 1
1 93 . 20 1 1 A 18 18 CYS CB C 18 32.389 30.486 1.903 1
1 96 . 20 1 1 A 18 18 CYS C C 18 176.179 175.943 0.236 1
1 97 . 20 1 1 A 19 19 GLY N N 19 113.325 110.522 2.803 1
1 98 . 20 1 1 A 19 19 GLY H H 19 8.099 8.260 -0.161 1
1 99 . 20 1 1 A 19 19 GLY CA C 19 46.177 45.503 0.674 1
1 100 . 20 1 1 A 19 19 GLY HA2 H 19 3.804 3.954 -0.150 1
1 101 . 20 1 1 A 19 19 GLY HA3 H 19 4.212 3.988 0.224 1
1 102 . 20 1 1 A 19 19 GLY C C 19 173.985 174.806 -0.821 1
1 103 . 20 1 1 A 20 20 ARG N N 20 122.410 120.315 2.095 1
1 104 . 20 1 1 A 20 20 ARG H H 20 7.910 7.402 0.508 1
1 105 . 20 1 1 A 20 20 ARG CA C 20 57.691 55.949 1.742 1
1 106 . 20 1 1 A 20 20 ARG HA H 20 3.970 4.210 -0.240 1
1 107 . 20 1 1 A 20 20 ARG CB C 20 31.437 31.611 -0.174 1
1 116 . 20 1 1 A 20 20 ARG C C 20 174.491 175.274 -0.783 1
1 117 . 20 1 1 A 21 21 GLY N N 21 108.663 108.061 0.602 1
1 118 . 20 1 1 A 21 21 GLY H H 21 8.053 8.121 -0.068 1
1 119 . 20 1 1 A 21 21 GLY CA C 21 43.942 44.014 -0.072 1
1 120 . 20 1 1 A 21 21 GLY HA2 H 21 3.349 4.060 -0.711 1
1 121 . 20 1 1 A 21 21 GLY HA3 H 21 4.767 4.107 0.660 1
1 122 . 20 1 1 A 21 21 GLY C C 21 172.522 171.508 1.014 1
1 123 . 20 1 1 A 22 22 PHE N N 22 117.603 122.990 -5.387 1
1 124 . 20 1 1 A 22 22 PHE H H 22 8.383 9.012 -0.629 1
1 125 . 20 1 1 A 22 22 PHE CA C 22 57.190 56.423 0.767 1
1 126 . 20 1 1 A 22 22 PHE HA H 22 4.803 5.003 -0.200 1
1 127 . 20 1 1 A 22 22 PHE CB C 22 43.726 41.621 2.105 1
1 140 . 20 1 1 A 22 22 PHE C C 22 175.623 175.992 -0.369 1
1 141 . 20 1 1 A 23 23 THR CA C 23 64.469 66.886 -2.417 1
1 142 . 20 1 1 A 23 23 THR HA H 23 4.405 4.193 0.212 1
1 143 . 20 1 1 A 23 23 THR CB C 23 69.258 68.996 0.262 1
1 149 . 20 1 1 A 23 23 THR C C 23 174.733 175.480 -0.747 1
1 150 . 20 1 1 A 24 24 LEU N N 24 118.621 119.810 -1.189 1
1 151 . 20 1 1 A 24 24 LEU H H 24 7.397 8.247 -0.850 1
1 152 . 20 1 1 A 24 24 LEU CA C 24 52.956 54.192 -1.236 1
1 153 . 20 1 1 A 24 24 LEU HA H 24 4.672 4.519 0.153 1
1 154 . 20 1 1 A 24 24 LEU CB C 24 44.907 42.078 2.829 1
1 167 . 20 1 1 A 24 24 LEU C C 24 177.120 177.475 -0.355 1
1 168 . 20 1 1 A 25 25 LYS N N 25 125.592 126.083 -0.491 1
1 169 . 20 1 1 A 25 25 LYS H H 25 8.555 8.887 -0.332 1
1 170 . 20 1 1 A 25 25 LYS CA C 25 59.139 59.290 -0.151 1
1 171 . 20 1 1 A 25 25 LYS HA H 25 3.201 3.296 -0.095 1
1 172 . 20 1 1 A 25 25 LYS CB C 25 31.829 31.819 0.010 1
1 184 . 20 1 1 A 25 25 LYS C C 25 178.110 177.991 0.119 1
1 185 . 20 1 1 A 26 26 SER CA C 26 60.759 62.303 -1.544 1
1 186 . 20 1 1 A 26 26 SER HA H 26 4.034 4.105 -0.071 1
1 187 . 20 1 1 A 26 26 SER CB C 26 61.446 63.058 -1.612 1
1 190 . 20 1 1 A 26 26 SER C C 26 177.426 176.542 0.884 1
1 191 . 20 1 1 A 27 27 HIS N N 27 121.342 119.687 1.655 1
1 192 . 20 1 1 A 27 27 HIS H H 27 6.706 7.832 -1.126 1
1 193 . 20 1 1 A 27 27 HIS CA C 27 57.237 58.808 -1.571 1
1 194 . 20 1 1 A 27 27 HIS HA H 27 4.420 4.191 0.229 1
1 195 . 20 1 1 A 27 27 HIS CB C 27 31.574 29.989 1.585 1
1 202 . 20 1 1 A 27 27 HIS C C 27 178.457 177.098 1.359 1
1 203 . 20 1 1 A 28 28 LEU N N 28 122.540 120.599 1.941 1
1 204 . 20 1 1 A 28 28 LEU H H 28 7.190 7.659 -0.469 1
1 205 . 20 1 1 A 28 28 LEU CA C 28 57.976 57.807 0.169 1
1 206 . 20 1 1 A 28 28 LEU HA H 28 3.191 2.966 0.225 1
1 207 . 20 1 1 A 28 28 LEU CB C 28 40.034 41.389 -1.355 1
1 220 . 20 1 1 A 28 28 LEU C C 28 177.619 178.328 -0.709 1
1 221 . 20 1 1 A 29 29 ASN N N 29 117.886 117.072 0.814 1
1 222 . 20 1 1 A 29 29 ASN H H 29 8.500 7.957 0.543 1
1 223 . 20 1 1 A 29 29 ASN CA C 29 56.124 56.629 -0.505 1
1 224 . 20 1 1 A 29 29 ASN HA H 29 4.427 4.293 0.134 1
1 225 . 20 1 1 A 29 29 ASN CB C 29 37.934 39.551 -1.617 1
1 231 . 20 1 1 A 29 29 ASN C C 29 178.015 177.886 0.129 1
1 232 . 20 1 1 A 30 30 GLN N N 30 118.146 119.146 -1.000 1
1 233 . 20 1 1 A 30 30 GLN H H 30 7.682 8.304 -0.622 1
1 234 . 20 1 1 A 30 30 GLN CA C 30 58.640 57.938 0.702 1
1 235 . 20 1 1 A 30 30 GLN HA H 30 3.961 4.062 -0.101 1
1 236 . 20 1 1 A 30 30 GLN CB C 30 28.485 28.528 -0.043 1
1 245 . 20 1 1 A 30 30 GLN C C 30 178.333 178.103 0.230 1
1 246 . 20 1 1 A 31 31 HIS N N 31 119.699 119.518 0.181 1
1 247 . 20 1 1 A 31 31 HIS H H 31 7.693 7.767 -0.074 1
1 248 . 20 1 1 A 31 31 HIS CA C 31 58.923 59.116 -0.193 1
1 249 . 20 1 1 A 31 31 HIS HA H 31 4.181 4.090 0.091 1
1 250 . 20 1 1 A 31 31 HIS CB C 31 28.433 29.733 -1.300 1
1 257 . 20 1 1 A 31 31 HIS C C 31 176.132 177.319 -1.187 1
1 258 . 20 1 1 A 32 32 GLN N N 32 115.052 118.643 -3.591 1
1 259 . 20 1 1 A 32 32 GLN H H 32 8.305 8.262 0.043 1
1 260 . 20 1 1 A 32 32 GLN CA C 32 59.218 58.188 1.030 1
1 261 . 20 1 1 A 32 32 GLN HA H 32 3.660 4.008 -0.348 1
1 262 . 20 1 1 A 32 32 GLN CB C 32 28.322 28.485 -0.163 1
1 271 . 20 1 1 A 32 32 GLN C C 32 177.230 177.706 -0.476 1
1 272 . 20 1 1 A 33 33 ARG N N 33 117.232 118.618 -1.386 1
1 273 . 20 1 1 A 33 33 ARG H H 33 7.068 7.928 -0.860 1
1 274 . 20 1 1 A 33 33 ARG CA C 33 58.313 58.275 0.038 1
1 275 . 20 1 1 A 33 33 ARG HA H 33 4.101 4.004 0.097 1
1 276 . 20 1 1 A 33 33 ARG CB C 33 29.942 30.221 -0.279 1
1 285 . 20 1 1 A 33 33 ARG C C 33 178.473 178.162 0.311 1
1 286 . 20 1 1 A 34 34 ILE N N 34 116.070 115.271 0.799 1
1 287 . 20 1 1 A 34 34 ILE H H 34 7.787 7.336 0.451 1
1 288 . 20 1 1 A 34 34 ILE CA C 34 62.914 64.193 -1.279 1
1 289 . 20 1 1 A 34 34 ILE HA H 34 3.973 3.759 0.214 1
1 290 . 20 1 1 A 34 34 ILE CB C 34 37.629 37.076 0.553 1
1 303 . 20 1 1 A 34 34 ILE C C 34 177.355 177.554 -0.199 1
1 304 . 20 1 1 A 35 35 HIS N N 35 117.906 120.162 -2.256 1
1 305 . 20 1 1 A 35 35 HIS H H 35 7.208 7.151 0.057 1
1 306 . 20 1 1 A 35 35 HIS CA C 35 55.220 58.524 -3.304 1
1 307 . 20 1 1 A 35 35 HIS HA H 35 4.832 4.431 0.401 1
1 308 . 20 1 1 A 35 35 HIS CB C 35 28.533 30.555 -2.022 1
1 315 . 20 1 1 A 35 35 HIS C C 35 175.765 177.411 -1.646 1
1 316 . 20 1 1 A 36 36 THR N N 36 111.781 114.572 -2.791 1
1 317 . 20 1 1 A 36 36 THR H H 36 7.764 8.056 -0.292 1
1 318 . 20 1 1 A 36 36 THR CA C 36 62.457 65.411 -2.954 1
1 319 . 20 1 1 A 36 36 THR HA H 36 4.330 3.946 0.384 1
1 320 . 20 1 1 A 36 36 THR CB C 36 69.813 68.683 1.130 1
1 326 . 20 1 1 A 36 36 THR C C 36 175.440 176.844 -1.404 1
1 327 . 20 1 1 A 37 37 GLY N N 37 110.636 107.968 2.668 1
1 328 . 20 1 1 A 37 37 GLY H H 37 8.211 8.471 -0.260 1
1 329 . 20 1 1 A 37 37 GLY CA C 37 45.325 47.333 -2.008 1
1 330 . 20 1 1 A 37 37 GLY HA2 H 37 3.923 3.698 0.225 1
1 331 . 20 1 1 A 37 37 GLY HA3 H 37 4.004 3.705 0.299 1
1 332 . 20 1 1 A 37 37 GLY C C 37 174.040 174.830 -0.790 1
1 333 . 20 1 1 A 38 38 GLU N N 38 120.567 119.114 1.453 1
1 334 . 20 1 1 A 38 38 GLU H H 38 8.073 7.844 0.229 1
1 335 . 20 1 1 A 38 38 GLU CA C 38 56.418 55.550 0.868 1
1 336 . 20 1 1 A 38 38 GLU HA H 38 4.217 4.690 -0.473 1
1 337 . 20 1 1 A 38 38 GLU CB C 38 30.522 30.996 -0.474 1
1 343 . 20 1 1 A 38 38 GLU C C 38 176.215 175.425 0.790 1
1 344 . 20 1 1 A 39 39 LYS N N 39 123.787 123.138 0.649 1
1 345 . 20 1 1 A 39 39 LYS H H 39 8.387 8.429 -0.042 1
1 346 . 20 1 1 A 39 39 LYS CA C 39 54.102 52.824 1.278 1
1 347 . 20 1 1 A 39 39 LYS HA H 39 4.575 4.765 -0.190 1
1 348 . 20 1 1 A 39 39 LYS CB C 39 32.422 33.412 -0.990 1
1 359 . 20 1 1 A 39 39 LYS C C 39 174.478 174.547 -0.069 1
1 360 . 20 1 1 A 40 40 PRO CA C 40 63.208 62.767 0.441 1
1 361 . 20 1 1 A 40 40 PRO HA H 40 4.440 4.674 -0.234 1
1 362 . 20 1 1 A 40 40 PRO CB C 40 32.147 31.415 0.732 1
1 371 . 20 1 1 A 43 43 PRO CA C 43 63.124 63.980 -0.856 1
1 372 . 20 1 1 A 43 43 PRO HA H 43 4.417 4.561 -0.144 1
1 373 . 20 1 1 A 43 43 PRO CB C 43 32.161 31.675 0.486 1
1 382 . 20 1 1 A 45 45 SER CA C 45 58.357 58.402 -0.045 1
1 383 . 20 1 1 A 45 45 SER HA H 45 4.478 4.511 -0.033 1
1 384 . 20 1 1 A 45 45 SER CB C 45 63.886 64.282 -0.396 1
1 387 . 20 1 1 A 45 45 SER C C 45 173.890 175.195 -1.305 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 31 0.953 1
2 1 1 1 "RMS(OBS, PRED)" CA 33 1.405 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 1.405 1
4 1 1 1 "RMS(OBS, PRED)" H 26 0.543 1
5 1 1 1 "RMS(OBS, PRED)" HA 36 0.344 1
6 1 1 1 "RMS(OBS, PRED)" N 26 2.939 1
7 1 2 1 "RMS(OBS, PRED)" C 31 1.070 1
8 1 2 1 "RMS(OBS, PRED)" CA 33 1.351 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.616 1
10 1 2 1 "RMS(OBS, PRED)" H 26 0.538 1
11 1 2 1 "RMS(OBS, PRED)" HA 36 0.384 1
12 1 2 1 "RMS(OBS, PRED)" N 26 2.788 1
13 1 3 1 "RMS(OBS, PRED)" C 31 0.917 1
14 1 3 1 "RMS(OBS, PRED)" CA 33 1.167 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.327 1
16 1 3 1 "RMS(OBS, PRED)" H 26 0.513 1
17 1 3 1 "RMS(OBS, PRED)" HA 36 0.339 1
18 1 3 1 "RMS(OBS, PRED)" N 26 2.230 1
19 1 4 1 "RMS(OBS, PRED)" C 31 1.055 1
20 1 4 1 "RMS(OBS, PRED)" CA 33 1.487 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.364 1
22 1 4 1 "RMS(OBS, PRED)" H 26 0.453 1
23 1 4 1 "RMS(OBS, PRED)" HA 36 0.336 1
24 1 4 1 "RMS(OBS, PRED)" N 26 2.667 1
25 1 5 1 "RMS(OBS, PRED)" C 31 0.942 1
26 1 5 1 "RMS(OBS, PRED)" CA 33 1.114 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.492 1
28 1 5 1 "RMS(OBS, PRED)" H 26 0.547 1
29 1 5 1 "RMS(OBS, PRED)" HA 36 0.345 1
30 1 5 1 "RMS(OBS, PRED)" N 26 2.834 1
31 1 6 1 "RMS(OBS, PRED)" C 31 0.927 1
32 1 6 1 "RMS(OBS, PRED)" CA 33 1.182 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.591 1
34 1 6 1 "RMS(OBS, PRED)" H 26 0.496 1
35 1 6 1 "RMS(OBS, PRED)" HA 36 0.314 1
36 1 6 1 "RMS(OBS, PRED)" N 26 2.689 1
37 1 7 1 "RMS(OBS, PRED)" C 31 0.872 1
38 1 7 1 "RMS(OBS, PRED)" CA 33 1.292 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.189 1
40 1 7 1 "RMS(OBS, PRED)" H 26 0.524 1
41 1 7 1 "RMS(OBS, PRED)" HA 36 0.329 1
42 1 7 1 "RMS(OBS, PRED)" N 26 2.589 1
43 1 8 1 "RMS(OBS, PRED)" C 31 0.928 1
44 1 8 1 "RMS(OBS, PRED)" CA 33 1.116 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.212 1
46 1 8 1 "RMS(OBS, PRED)" H 26 0.479 1
47 1 8 1 "RMS(OBS, PRED)" HA 36 0.316 1
48 1 8 1 "RMS(OBS, PRED)" N 26 2.460 1
49 1 9 1 "RMS(OBS, PRED)" C 31 1.053 1
50 1 9 1 "RMS(OBS, PRED)" CA 33 1.411 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.453 1
52 1 9 1 "RMS(OBS, PRED)" H 26 0.497 1
53 1 9 1 "RMS(OBS, PRED)" HA 36 0.359 1
54 1 9 1 "RMS(OBS, PRED)" N 26 2.510 1
55 1 10 1 "RMS(OBS, PRED)" C 31 1.085 1
56 1 10 1 "RMS(OBS, PRED)" CA 33 1.425 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.442 1
58 1 10 1 "RMS(OBS, PRED)" H 26 0.551 1
59 1 10 1 "RMS(OBS, PRED)" HA 36 0.351 1
60 1 10 1 "RMS(OBS, PRED)" N 26 2.800 1
61 1 11 1 "RMS(OBS, PRED)" C 31 0.971 1
62 1 11 1 "RMS(OBS, PRED)" CA 33 1.392 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.362 1
64 1 11 1 "RMS(OBS, PRED)" H 26 0.508 1
65 1 11 1 "RMS(OBS, PRED)" HA 36 0.393 1
66 1 11 1 "RMS(OBS, PRED)" N 26 2.387 1
67 1 12 1 "RMS(OBS, PRED)" C 31 0.789 1
68 1 12 1 "RMS(OBS, PRED)" CA 33 1.130 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.532 1
70 1 12 1 "RMS(OBS, PRED)" H 26 0.450 1
71 1 12 1 "RMS(OBS, PRED)" HA 36 0.314 1
72 1 12 1 "RMS(OBS, PRED)" N 26 2.619 1
73 1 13 1 "RMS(OBS, PRED)" C 31 0.858 1
74 1 13 1 "RMS(OBS, PRED)" CA 33 1.107 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.473 1
76 1 13 1 "RMS(OBS, PRED)" H 26 0.502 1
77 1 13 1 "RMS(OBS, PRED)" HA 36 0.343 1
78 1 13 1 "RMS(OBS, PRED)" N 26 2.657 1
79 1 14 1 "RMS(OBS, PRED)" C 31 1.029 1
80 1 14 1 "RMS(OBS, PRED)" CA 33 1.124 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.403 1
82 1 14 1 "RMS(OBS, PRED)" H 26 0.569 1
83 1 14 1 "RMS(OBS, PRED)" HA 36 0.375 1
84 1 14 1 "RMS(OBS, PRED)" N 26 2.837 1
85 1 15 1 "RMS(OBS, PRED)" C 31 0.858 1
86 1 15 1 "RMS(OBS, PRED)" CA 33 1.064 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.653 1
88 1 15 1 "RMS(OBS, PRED)" H 26 0.591 1
89 1 15 1 "RMS(OBS, PRED)" HA 36 0.301 1
90 1 15 1 "RMS(OBS, PRED)" N 26 2.279 1
91 1 16 1 "RMS(OBS, PRED)" C 31 0.886 1
92 1 16 1 "RMS(OBS, PRED)" CA 33 1.297 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.441 1
94 1 16 1 "RMS(OBS, PRED)" H 26 0.527 1
95 1 16 1 "RMS(OBS, PRED)" HA 36 0.359 1
96 1 16 1 "RMS(OBS, PRED)" N 26 2.718 1
97 1 17 1 "RMS(OBS, PRED)" C 31 0.859 1
98 1 17 1 "RMS(OBS, PRED)" CA 33 0.980 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.288 1
100 1 17 1 "RMS(OBS, PRED)" H 26 0.537 1
101 1 17 1 "RMS(OBS, PRED)" HA 36 0.263 1
102 1 17 1 "RMS(OBS, PRED)" N 26 2.555 1
103 1 18 1 "RMS(OBS, PRED)" C 31 1.077 1
104 1 18 1 "RMS(OBS, PRED)" CA 33 1.223 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 1.621 1
106 1 18 1 "RMS(OBS, PRED)" H 26 0.506 1
107 1 18 1 "RMS(OBS, PRED)" HA 36 0.336 1
108 1 18 1 "RMS(OBS, PRED)" N 26 2.807 1
109 1 19 1 "RMS(OBS, PRED)" C 31 1.007 1
110 1 19 1 "RMS(OBS, PRED)" CA 33 1.365 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.389 1
112 1 19 1 "RMS(OBS, PRED)" H 26 0.566 1
113 1 19 1 "RMS(OBS, PRED)" HA 36 0.353 1
114 1 19 1 "RMS(OBS, PRED)" N 26 2.459 1
115 1 20 1 "RMS(OBS, PRED)" C 31 1.026 1
116 1 20 1 "RMS(OBS, PRED)" CA 33 1.365 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.514 1
118 1 20 1 "RMS(OBS, PRED)" H 26 0.528 1
119 1 20 1 "RMS(OBS, PRED)" HA 36 0.352 1
120 1 20 1 "RMS(OBS, PRED)" N 26 2.500 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 10 10 THR CA C 10 62.043 61.208 0.835 2
1 2 . 1 1 A 10 10 THR HA H 10 4.275 4.752 -0.477 2
1 3 . 1 1 A 10 10 THR CB C 10 69.619 70.007 -0.388 2
1 9 . 1 1 A 10 10 THR C C 10 174.384 173.264 1.120 2
1 10 . 1 1 A 11 11 LYS N N 11 124.060 125.105 -1.045 2
1 11 . 1 1 A 11 11 LYS H H 11 8.302 8.261 0.041 2
1 12 . 1 1 A 11 11 LYS CA C 11 55.798 54.781 1.017 2
1 13 . 1 1 A 11 11 LYS HA H 11 4.240 4.768 -0.528 2
1 14 . 1 1 A 11 11 LYS CB C 11 32.582 35.288 -2.706 2
1 25 . 1 1 A 11 11 LYS C C 11 175.995 176.286 -0.291 2
1 26 . 1 1 A 12 12 SER N N 12 116.110 118.046 -1.936 2
1 27 . 1 1 A 12 12 SER H H 12 7.977 8.691 -0.714 2
1 28 . 1 1 A 12 12 SER CA C 12 58.636 61.068 -2.432 2
1 29 . 1 1 A 12 12 SER HA H 12 4.260 4.235 0.025 2
1 30 . 1 1 A 12 12 SER CB C 12 64.029 63.460 0.569 2
1 33 . 1 1 A 12 12 SER C C 12 173.332 174.100 -0.768 2
1 34 . 1 1 A 13 13 HIS N N 13 122.195 116.378 5.817 2
1 35 . 1 1 A 13 13 HIS H H 13 8.407 7.731 0.676 2
1 36 . 1 1 A 13 13 HIS CA C 13 55.603 54.661 0.942 2
1 37 . 1 1 A 13 13 HIS HA H 13 4.625 5.090 -0.465 2
1 38 . 1 1 A 13 13 HIS CB C 13 31.227 30.743 0.484 2
1 45 . 1 1 A 13 13 HIS C C 13 174.550 173.917 0.633 2
1 46 . 1 1 A 14 14 GLN N N 14 123.997 124.000 -0.003 2
1 47 . 1 1 A 14 14 GLN H H 14 8.662 9.019 -0.357 2
1 48 . 1 1 A 14 14 GLN CA C 14 54.912 54.041 0.871 2
1 49 . 1 1 A 14 14 GLN HA H 14 4.909 5.318 -0.409 2
1 50 . 1 1 A 14 14 GLN CB C 14 31.614 31.872 -0.258 2
1 59 . 1 1 A 14 14 GLN C C 14 174.837 175.314 -0.477 2
1 60 . 1 1 A 15 15 CYS N N 15 126.364 124.841 1.523 2
1 61 . 1 1 A 15 15 CYS H H 15 9.186 9.152 0.034 2
1 62 . 1 1 A 15 15 CYS CA C 15 59.390 59.537 -0.147 2
1 63 . 1 1 A 15 15 CYS HA H 15 4.532 4.767 -0.235 2
1 64 . 1 1 A 15 15 CYS CB C 15 29.575 29.036 0.539 2
1 67 . 1 1 A 15 15 CYS C C 15 177.214 174.873 2.341 2
1 68 . 1 1 A 16 16 HIS CA C 16 58.476 57.405 1.071 2
1 69 . 1 1 A 16 16 HIS HA H 16 4.471 4.643 -0.172 2
1 70 . 1 1 A 16 16 HIS CB C 16 29.832 31.506 -1.674 2
1 77 . 1 1 A 16 16 HIS C C 16 175.596 176.920 -1.324 2
1 78 . 1 1 A 17 17 GLU N N 17 120.837 118.676 2.161 2
1 79 . 1 1 A 17 17 GLU H H 17 8.472 7.977 0.495 2
1 80 . 1 1 A 17 17 GLU CA C 17 58.401 58.805 -0.404 2
1 81 . 1 1 A 17 17 GLU HA H 17 4.121 3.947 0.174 2
1 82 . 1 1 A 17 17 GLU CB C 17 29.314 29.378 -0.064 2
1 88 . 1 1 A 17 17 GLU C C 17 177.130 177.854 -0.724 2
1 89 . 1 1 A 18 18 CYS N N 18 114.120 114.885 -0.765 2
1 90 . 1 1 A 18 18 CYS H H 18 7.802 7.865 -0.063 2
1 91 . 1 1 A 18 18 CYS CA C 18 58.221 59.287 -1.066 2
1 92 . 1 1 A 18 18 CYS HA H 18 5.117 4.663 0.453 2
1 93 . 1 1 A 18 18 CYS CB C 18 32.389 30.364 2.025 2
1 96 . 1 1 A 18 18 CYS C C 18 176.179 175.827 0.352 2
1 97 . 1 1 A 19 19 GLY N N 19 113.325 110.462 2.863 2
1 98 . 1 1 A 19 19 GLY H H 19 8.099 8.297 -0.198 2
1 99 . 1 1 A 19 19 GLY CA C 19 46.177 45.582 0.595 2
1 100 . 1 1 A 19 19 GLY HA2 H 19 3.804 3.962 -0.158 2
1 101 . 1 1 A 19 19 GLY HA3 H 19 4.212 3.984 0.228 2
1 102 . 1 1 A 19 19 GLY C C 19 173.985 174.617 -0.632 2
1 103 . 1 1 A 20 20 ARG N N 20 122.410 119.885 2.525 2
1 104 . 1 1 A 20 20 ARG H H 20 7.910 7.506 0.404 2
1 105 . 1 1 A 20 20 ARG CA C 20 57.691 55.545 2.146 2
1 106 . 1 1 A 20 20 ARG HA H 20 3.970 4.349 -0.379 2
1 107 . 1 1 A 20 20 ARG CB C 20 31.437 31.896 -0.459 2
1 116 . 1 1 A 20 20 ARG C C 20 174.491 175.300 -0.809 2
1 117 . 1 1 A 21 21 GLY N N 21 108.663 107.818 0.845 2
1 118 . 1 1 A 21 21 GLY H H 21 8.053 8.170 -0.117 2
1 119 . 1 1 A 21 21 GLY CA C 21 43.942 44.118 -0.176 2
1 120 . 1 1 A 21 21 GLY HA2 H 21 3.349 4.121 -0.772 2
1 121 . 1 1 A 21 21 GLY HA3 H 21 4.767 4.198 0.569 2
1 122 . 1 1 A 21 21 GLY C C 21 172.522 171.639 0.882 2
1 123 . 1 1 A 22 22 PHE N N 22 117.603 123.108 -5.505 2
1 124 . 1 1 A 22 22 PHE H H 22 8.383 8.867 -0.484 2
1 125 . 1 1 A 22 22 PHE CA C 22 57.190 56.518 0.672 2
1 126 . 1 1 A 22 22 PHE HA H 22 4.803 5.024 -0.221 2
1 127 . 1 1 A 22 22 PHE CB C 22 43.726 42.212 1.514 2
1 140 . 1 1 A 22 22 PHE C C 22 175.623 175.948 -0.325 2
1 141 . 1 1 A 23 23 THR CA C 23 64.469 66.276 -1.807 2
1 142 . 1 1 A 23 23 THR HA H 23 4.405 4.240 0.165 2
1 143 . 1 1 A 23 23 THR CB C 23 69.258 69.074 0.184 2
1 149 . 1 1 A 23 23 THR C C 23 174.733 175.337 -0.604 2
1 150 . 1 1 A 24 24 LEU N N 24 118.621 120.221 -1.600 2
1 151 . 1 1 A 24 24 LEU H H 24 7.397 8.184 -0.787 2
1 152 . 1 1 A 24 24 LEU CA C 24 52.956 54.094 -1.138 2
1 153 . 1 1 A 24 24 LEU HA H 24 4.672 4.538 0.134 2
1 154 . 1 1 A 24 24 LEU CB C 24 44.907 42.220 2.687 2
1 167 . 1 1 A 24 24 LEU C C 24 177.120 177.368 -0.248 2
1 168 . 1 1 A 25 25 LYS N N 25 125.592 126.166 -0.574 2
1 169 . 1 1 A 25 25 LYS H H 25 8.555 8.860 -0.305 2
1 170 . 1 1 A 25 25 LYS CA C 25 59.139 59.619 -0.480 2
1 171 . 1 1 A 25 25 LYS HA H 25 3.201 3.206 -0.005 2
1 172 . 1 1 A 25 25 LYS CB C 25 31.829 31.716 0.113 2
1 184 . 1 1 A 25 25 LYS C C 25 178.110 177.968 0.142 2
1 185 . 1 1 A 26 26 SER CA C 26 60.759 61.477 -0.718 2
1 186 . 1 1 A 26 26 SER HA H 26 4.034 4.100 -0.066 2
1 187 . 1 1 A 26 26 SER CB C 26 61.446 62.560 -1.114 2
1 190 . 1 1 A 26 26 SER C C 26 177.426 177.033 0.393 2
1 191 . 1 1 A 27 27 HIS N N 27 121.342 119.055 2.287 2
1 192 . 1 1 A 27 27 HIS H H 27 6.706 7.876 -1.170 2
1 193 . 1 1 A 27 27 HIS CA C 27 57.237 59.049 -1.812 2
1 194 . 1 1 A 27 27 HIS HA H 27 4.420 4.153 0.267 2
1 195 . 1 1 A 27 27 HIS CB C 27 31.574 29.976 1.598 2
1 202 . 1 1 A 27 27 HIS C C 27 178.457 177.083 1.374 2
1 203 . 1 1 A 28 28 LEU N N 28 122.540 120.225 2.315 2
1 204 . 1 1 A 28 28 LEU H H 28 7.190 7.582 -0.392 2
1 205 . 1 1 A 28 28 LEU CA C 28 57.976 57.852 0.124 2
1 206 . 1 1 A 28 28 LEU HA H 28 3.191 2.726 0.465 2
1 207 . 1 1 A 28 28 LEU CB C 28 40.034 41.475 -1.442 2
1 220 . 1 1 A 28 28 LEU C C 28 177.619 178.167 -0.548 2
1 221 . 1 1 A 29 29 ASN N N 29 117.886 116.753 1.133 2
1 222 . 1 1 A 29 29 ASN H H 29 8.500 8.076 0.424 2
1 223 . 1 1 A 29 29 ASN CA C 29 56.124 56.569 -0.445 2
1 224 . 1 1 A 29 29 ASN HA H 29 4.427 4.341 0.086 2
1 225 . 1 1 A 29 29 ASN CB C 29 37.934 38.966 -1.032 2
1 231 . 1 1 A 29 29 ASN C C 29 178.015 177.780 0.235 2
1 232 . 1 1 A 30 30 GLN N N 30 118.146 118.815 -0.669 2
1 233 . 1 1 A 30 30 GLN H H 30 7.682 8.114 -0.432 2
1 234 . 1 1 A 30 30 GLN CA C 30 58.640 58.474 0.166 2
1 235 . 1 1 A 30 30 GLN HA H 30 3.961 4.021 -0.060 2
1 236 . 1 1 A 30 30 GLN CB C 30 28.485 28.369 0.116 2
1 245 . 1 1 A 30 30 GLN C C 30 178.333 178.206 0.127 2
1 246 . 1 1 A 31 31 HIS N N 31 119.699 119.938 -0.239 2
1 247 . 1 1 A 31 31 HIS H H 31 7.693 8.095 -0.402 2
1 248 . 1 1 A 31 31 HIS CA C 31 58.923 59.475 -0.552 2
1 249 . 1 1 A 31 31 HIS HA H 31 4.181 4.142 0.039 2
1 250 . 1 1 A 31 31 HIS CB C 31 28.433 29.584 -1.151 2
1 257 . 1 1 A 31 31 HIS C C 31 176.132 177.156 -1.024 2
1 258 . 1 1 A 32 32 GLN N N 32 115.052 117.969 -2.917 2
1 259 . 1 1 A 32 32 GLN H H 32 8.305 8.506 -0.201 2
1 260 . 1 1 A 32 32 GLN CA C 32 59.218 58.809 0.409 2
1 261 . 1 1 A 32 32 GLN HA H 32 3.660 3.919 -0.259 2
1 262 . 1 1 A 32 32 GLN CB C 32 28.322 28.381 -0.059 2
1 271 . 1 1 A 32 32 GLN C C 32 177.230 178.304 -1.074 2
1 272 . 1 1 A 33 33 ARG N N 33 117.232 119.220 -1.988 2
1 273 . 1 1 A 33 33 ARG H H 33 7.068 7.820 -0.752 2
1 274 . 1 1 A 33 33 ARG CA C 33 58.313 58.629 -0.316 2
1 275 . 1 1 A 33 33 ARG HA H 33 4.101 4.093 0.008 2
1 276 . 1 1 A 33 33 ARG CB C 33 29.942 29.906 0.036 2
1 285 . 1 1 A 33 33 ARG C C 33 178.473 178.598 -0.125 2
1 286 . 1 1 A 34 34 ILE N N 34 116.070 116.305 -0.235 2
1 287 . 1 1 A 34 34 ILE H H 34 7.787 7.673 0.114 2
1 288 . 1 1 A 34 34 ILE CA C 34 62.914 63.600 -0.686 2
1 289 . 1 1 A 34 34 ILE HA H 34 3.973 3.769 0.204 2
1 290 . 1 1 A 34 34 ILE CB C 34 37.629 37.132 0.497 2
1 303 . 1 1 A 34 34 ILE C C 34 177.355 176.861 0.494 2
1 304 . 1 1 A 35 35 HIS N N 35 117.906 119.547 -1.641 2
1 305 . 1 1 A 35 35 HIS H H 35 7.208 7.598 -0.390 2
1 306 . 1 1 A 35 35 HIS CA C 35 55.220 57.200 -1.980 2
1 307 . 1 1 A 35 35 HIS HA H 35 4.832 4.577 0.255 2
1 308 . 1 1 A 35 35 HIS CB C 35 28.533 30.885 -2.352 2
1 315 . 1 1 A 35 35 HIS C C 35 175.765 175.620 0.145 2
1 316 . 1 1 A 36 36 THR N N 36 111.781 112.577 -0.796 2
1 317 . 1 1 A 36 36 THR H H 36 7.764 7.596 0.168 2
1 318 . 1 1 A 36 36 THR CA C 36 62.457 62.838 -0.381 2
1 319 . 1 1 A 36 36 THR HA H 36 4.330 4.274 0.056 2
1 320 . 1 1 A 36 36 THR CB C 36 69.813 69.533 0.280 2
1 326 . 1 1 A 36 36 THR C C 36 175.440 174.806 0.634 2
1 327 . 1 1 A 37 37 GLY N N 37 110.636 111.373 -0.737 2
1 328 . 1 1 A 37 37 GLY H H 37 8.211 8.316 -0.105 2
1 329 . 1 1 A 37 37 GLY CA C 37 45.325 45.522 -0.197 2
1 330 . 1 1 A 37 37 GLY HA2 H 37 3.923 4.039 -0.116 2
1 331 . 1 1 A 37 37 GLY HA3 H 37 4.004 4.044 -0.040 2
1 332 . 1 1 A 37 37 GLY C C 37 174.040 173.266 0.774 2
1 333 . 1 1 A 38 38 GLU N N 38 120.567 120.993 -0.426 2
1 334 . 1 1 A 38 38 GLU H H 38 8.073 8.380 -0.307 2
1 335 . 1 1 A 38 38 GLU CA C 38 56.418 55.726 0.692 2
1 336 . 1 1 A 38 38 GLU HA H 38 4.217 4.572 -0.355 2
1 337 . 1 1 A 38 38 GLU CB C 38 30.522 30.852 -0.331 2
1 343 . 1 1 A 38 38 GLU C C 38 176.215 175.750 0.465 2
1 344 . 1 1 A 39 39 LYS N N 39 123.787 123.549 0.238 2
1 345 . 1 1 A 39 39 LYS H H 39 8.387 8.466 -0.079 2
1 346 . 1 1 A 39 39 LYS CA C 39 54.102 54.456 -0.354 2
1 347 . 1 1 A 39 39 LYS HA H 39 4.575 4.559 0.016 2
1 348 . 1 1 A 39 39 LYS CB C 39 32.422 33.292 -0.870 2
1 359 . 1 1 A 39 39 LYS C C 39 174.478 175.169 -0.691 2
1 360 . 1 1 A 40 40 PRO CA C 40 63.208 63.319 -0.111 2
1 361 . 1 1 A 40 40 PRO HA H 40 4.440 4.532 -0.092 2
1 362 . 1 1 A 40 40 PRO CB C 40 32.147 32.153 -0.006 2
1 371 . 1 1 A 43 43 PRO CA C 43 63.124 63.157 -0.033 2
1 372 . 1 1 A 43 43 PRO HA H 43 4.417 4.549 -0.132 2
1 373 . 1 1 A 43 43 PRO CB C 43 32.161 32.024 0.137 2
1 382 . 1 1 A 45 45 SER CA C 45 58.357 58.661 -0.304 2
1 383 . 1 1 A 45 45 SER HA H 45 4.478 4.573 -0.095 2
1 384 . 1 1 A 45 45 SER CB C 45 63.886 64.275 -0.389 2
1 387 . 1 1 A 45 45 SER C C 45 173.890 174.522 -0.632 2
stop_
save_