data_15965_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15965
_Entry.PDB_ID 2K8X
_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 10
_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 3 . 1 2 1 A 1 1 GLY CA C 1 43.523 53.268 -9.745 1
1 4 . 1 2 1 A 2 2 ALA H H 2 8.725 7.521 1.204 1
1 9 . 1 2 1 A 2 2 ALA CA C 2 52.891 45.701 7.190 1
1 11 . 1 2 1 A 2 2 ALA N N 2 124.084 102.626 21.458 1
1 12 . 1 2 1 A 3 3 GLY H H 3 8.647 9.173 -0.526 1
1 15 . 1 2 1 A 3 3 GLY CA C 3 45.438 61.102 -15.664 1
1 16 . 1 2 1 A 3 3 GLY N N 3 108.827 116.983 -8.156 1
1 17 . 1 2 1 A 4 4 SER H H 4 8.311 8.469 -0.158 1
1 18 . 1 2 1 A 4 4 SER HA H 4 4.493 4.237 0.256 1
1 21 . 1 2 1 A 4 4 SER CA C 4 58.607 61.688 -3.081 1
1 22 . 1 2 1 A 4 4 SER CB C 4 63.715 62.210 1.505 1
1 23 . 1 2 1 A 4 4 SER N N 4 115.868 116.776 -0.908 1
1 24 . 1 2 1 A 5 5 SER H H 5 8.620 7.798 0.822 1
1 25 . 1 2 1 A 5 5 SER HA H 5 4.469 4.229 0.240 1
1 28 . 1 2 1 A 5 5 SER CA C 5 59.103 61.445 -2.342 1
1 29 . 1 2 1 A 5 5 SER CB C 5 63.474 62.993 0.481 1
1 30 . 1 2 1 A 5 5 SER N N 5 118.963 117.905 1.058 1
1 31 . 1 2 1 A 6 6 SER H H 6 8.490 8.376 0.114 1
1 32 . 1 2 1 A 6 6 SER HA H 6 4.388 4.073 0.315 1
1 35 . 1 2 1 A 6 6 SER CA C 6 59.989 58.260 1.729 1
1 36 . 1 2 1 A 6 6 SER CB C 6 63.455 41.827 21.628 1
1 37 . 1 2 1 A 6 6 SER N N 6 119.176 122.878 -3.702 1
1 38 . 1 2 1 A 7 7 LEU H H 7 8.281 8.733 -0.452 1
1 39 . 1 2 1 A 7 7 LEU HA H 7 4.129 3.983 0.146 1
1 49 . 1 2 1 A 7 7 LEU CA C 7 57.627 59.090 -1.463 1
1 50 . 1 2 1 A 7 7 LEU CB C 7 41.789 29.698 12.091 1
1 54 . 1 2 1 A 7 7 LEU N N 7 123.537 118.851 4.686 1
1 55 . 1 2 1 A 8 8 GLU H H 8 8.192 7.938 0.254 1
1 56 . 1 2 1 A 8 8 GLU HA H 8 4.028 4.050 -0.022 1
1 61 . 1 2 1 A 8 8 GLU CA C 8 59.357 55.114 4.243 1
1 62 . 1 2 1 A 8 8 GLU CB C 8 29.135 18.770 10.365 1
1 64 . 1 2 1 A 8 8 GLU N N 8 118.872 122.319 -3.447 1
1 65 . 1 2 1 A 9 9 ALA H H 9 7.973 8.243 -0.270 1
1 66 . 1 2 1 A 9 9 ALA HA H 9 4.090 3.454 0.636 1
1 70 . 1 2 1 A 9 9 ALA CA C 9 55.445 66.366 -10.921 1
1 71 . 1 2 1 A 9 9 ALA CB C 9 18.235 31.659 -13.424 1
1 72 . 1 2 1 A 9 9 ALA N N 9 121.399 118.041 3.358 1
1 73 . 1 2 1 A 10 10 VAL H H 10 7.889 8.308 -0.419 1
1 74 . 1 2 1 A 10 10 VAL HA H 10 3.731 3.942 -0.211 1
1 82 . 1 2 1 A 10 10 VAL CA C 10 66.289 59.935 6.354 1
1 83 . 1 2 1 A 10 10 VAL CB C 10 31.617 29.960 1.657 1
1 86 . 1 2 1 A 10 10 VAL N N 10 119.522 120.274 -0.752 1
1 87 . 1 2 1 A 11 11 ARG H H 11 8.299 8.374 -0.075 1
1 88 . 1 2 1 A 11 11 ARG HA H 11 3.844 4.085 -0.241 1
1 95 . 1 2 1 A 11 11 ARG CA C 11 60.565 58.929 1.636 1
1 96 . 1 2 1 A 11 11 ARG CB C 11 30.302 30.022 0.280 1
1 99 . 1 2 1 A 11 11 ARG N N 11 120.475 119.582 0.893 1
1 100 . 1 2 1 A 12 12 ARG H H 12 8.183 7.711 0.472 1
1 101 . 1 2 1 A 12 12 ARG HA H 12 3.998 4.078 -0.080 1
1 108 . 1 2 1 A 12 12 ARG CA C 12 59.526 59.250 0.276 1
1 109 . 1 2 1 A 12 12 ARG CB C 12 30.264 32.166 -1.902 1
1 112 . 1 2 1 A 12 12 ARG N N 12 118.440 119.046 -0.606 1
1 113 . 1 2 1 A 13 13 LYS H H 13 7.972 7.781 0.191 1
1 114 . 1 2 1 A 13 13 LYS HA H 13 4.147 3.932 0.215 1
1 123 . 1 2 1 A 13 13 LYS CA C 13 59.104 63.802 -4.698 1
1 124 . 1 2 1 A 13 13 LYS CB C 13 32.697 37.014 -4.317 1
1 128 . 1 2 1 A 13 13 LYS N N 13 122.454 118.079 4.375 1
1 129 . 1 2 1 A 14 14 ILE H H 14 8.291 8.285 0.006 1
1 130 . 1 2 1 A 14 14 ILE HA H 14 3.526 4.050 -0.524 1
1 140 . 1 2 1 A 14 14 ILE CA C 14 66.269 59.361 6.908 1
1 141 . 1 2 1 A 14 14 ILE CB C 14 37.845 29.822 8.023 1
1 145 . 1 2 1 A 14 14 ILE N N 14 119.298 121.892 -2.594 1
1 146 . 1 2 1 A 15 15 ARG H H 15 8.047 7.800 0.247 1
1 147 . 1 2 1 A 15 15 ARG HA H 15 4.250 4.276 -0.026 1
1 154 . 1 2 1 A 15 15 ARG CA C 15 59.244 61.010 -1.766 1
1 155 . 1 2 1 A 15 15 ARG CB C 15 29.793 62.906 -33.113 1
1 158 . 1 2 1 A 15 15 ARG N N 15 120.923 114.485 6.438 1
1 159 . 1 2 1 A 16 16 SER H H 16 8.374 8.162 0.212 1
1 160 . 1 2 1 A 16 16 SER HA H 16 4.344 4.041 0.303 1
1 163 . 1 2 1 A 16 16 SER CA C 16 61.861 57.887 3.974 1
1 164 . 1 2 1 A 16 16 SER CB C 16 62.882 41.519 21.363 1
1 165 . 1 2 1 A 16 16 SER N N 16 114.520 122.873 -8.353 1
1 166 . 1 2 1 A 17 17 LEU H H 17 8.135 8.262 -0.127 1
1 167 . 1 2 1 A 17 17 LEU HA H 17 4.096 3.891 0.205 1
1 177 . 1 2 1 A 17 17 LEU CA C 17 58.197 59.603 -1.406 1
1 178 . 1 2 1 A 17 17 LEU CB C 17 43.647 28.348 15.299 1
1 182 . 1 2 1 A 17 17 LEU N N 17 122.938 117.418 5.520 1
1 183 . 1 2 1 A 18 18 GLN H H 18 8.649 8.259 0.390 1
1 184 . 1 2 1 A 18 18 GLN HA H 18 3.965 4.202 -0.237 1
1 191 . 1 2 1 A 18 18 GLN CA C 18 59.450 59.785 -0.335 1
1 192 . 1 2 1 A 18 18 GLN CB C 18 28.710 29.122 -0.412 1
1 194 . 1 2 1 A 18 18 GLN N N 18 119.456 120.007 -0.551 1
1 196 . 1 2 1 A 19 19 GLU H H 19 8.500 8.383 0.117 1
1 197 . 1 2 1 A 19 19 GLU HA H 19 4.120 4.059 0.061 1
1 202 . 1 2 1 A 19 19 GLU CA C 19 59.647 59.092 0.555 1
1 203 . 1 2 1 A 19 19 GLU CB C 19 29.625 28.256 1.369 1
1 205 . 1 2 1 A 19 19 GLU N N 19 120.612 118.979 1.633 1
1 206 . 1 2 1 A 20 20 GLN H H 20 8.424 8.482 -0.058 1
1 207 . 1 2 1 A 20 20 GLN HA H 20 4.285 4.343 -0.058 1
1 214 . 1 2 1 A 20 20 GLN CA C 20 58.982 56.099 2.883 1
1 215 . 1 2 1 A 20 20 GLN CB C 20 28.787 38.025 -9.238 1
1 217 . 1 2 1 A 20 20 GLN N N 20 120.205 118.435 1.770 1
1 219 . 1 2 1 A 21 21 ASN H H 21 8.563 7.944 0.619 1
1 220 . 1 2 1 A 21 21 ASN HA H 21 4.383 4.247 0.136 1
1 225 . 1 2 1 A 21 21 ASN CA C 21 57.475 60.540 -3.065 1
1 226 . 1 2 1 A 21 21 ASN CB C 21 38.667 38.062 0.605 1
1 227 . 1 2 1 A 21 21 ASN N N 21 120.117 119.059 1.058 1
1 229 . 1 2 1 A 22 22 TYR H H 22 8.115 8.446 -0.331 1
1 230 . 1 2 1 A 22 22 TYR HA H 22 4.394 4.296 0.098 1
1 237 . 1 2 1 A 22 22 TYR CA C 22 60.646 59.879 0.767 1
1 238 . 1 2 1 A 22 22 TYR CB C 22 37.993 30.341 7.652 1
1 239 . 1 2 1 A 22 22 TYR N N 22 120.082 119.981 0.101 1
1 240 . 1 2 1 A 23 23 HIS H H 23 8.025 8.862 -0.837 1
1 241 . 1 2 1 A 23 23 HIS HA H 23 4.402 3.908 0.494 1
1 245 . 1 2 1 A 23 23 HIS CA C 23 59.328 58.204 1.124 1
1 246 . 1 2 1 A 23 23 HIS CB C 23 29.518 41.508 -11.990 1
1 247 . 1 2 1 A 23 23 HIS N N 23 118.108 120.216 -2.108 1
1 248 . 1 2 1 A 24 24 LEU H H 24 8.751 8.273 0.478 1
1 249 . 1 2 1 A 24 24 LEU HA H 24 3.928 3.869 0.059 1
1 259 . 1 2 1 A 24 24 LEU CA C 24 58.226 60.028 -1.802 1
1 260 . 1 2 1 A 24 24 LEU CB C 24 43.778 29.288 14.490 1
1 264 . 1 2 1 A 24 24 LEU N N 24 120.548 119.096 1.452 1
1 265 . 1 2 1 A 25 25 GLU H H 25 8.830 8.129 0.701 1
1 266 . 1 2 1 A 25 25 GLU HA H 25 3.926 4.526 -0.600 1
1 271 . 1 2 1 A 25 25 GLU CA C 25 60.114 55.775 4.339 1
1 272 . 1 2 1 A 25 25 GLU CB C 25 29.339 37.889 -8.550 1
1 274 . 1 2 1 A 25 25 GLU N N 25 119.875 118.346 1.529 1
1 275 . 1 2 1 A 26 26 ASN H H 26 7.774 8.334 -0.560 1
1 276 . 1 2 1 A 26 26 ASN HA H 26 4.435 3.954 0.481 1
1 281 . 1 2 1 A 26 26 ASN CA C 26 56.238 58.820 -2.582 1
1 282 . 1 2 1 A 26 26 ASN CB C 26 37.945 29.467 8.478 1
1 283 . 1 2 1 A 26 26 ASN N N 26 119.022 119.634 -0.612 1
1 285 . 1 2 1 A 27 27 GLU H H 27 8.179 8.438 -0.259 1
1 286 . 1 2 1 A 27 27 GLU HA H 27 4.436 3.843 0.593 1
1 291 . 1 2 1 A 27 27 GLU CA C 27 58.674 64.718 -6.044 1
1 292 . 1 2 1 A 27 27 GLU CB C 27 30.279 31.592 -1.313 1
1 294 . 1 2 1 A 27 27 GLU N N 27 124.075 118.626 5.449 1
1 295 . 1 2 1 A 28 28 VAL H H 28 8.731 8.024 0.707 1
1 296 . 1 2 1 A 28 28 VAL HA H 28 3.385 3.964 -0.579 1
1 304 . 1 2 1 A 28 28 VAL CA C 28 67.756 55.835 11.921 1
1 305 . 1 2 1 A 28 28 VAL CB C 28 31.732 18.377 13.355 1
1 308 . 1 2 1 A 28 28 VAL N N 28 120.425 123.430 -3.005 1
1 309 . 1 2 1 A 29 29 ALA H H 29 7.767 7.611 0.156 1
1 310 . 1 2 1 A 29 29 ALA HA H 29 4.010 4.100 -0.090 1
1 314 . 1 2 1 A 29 29 ALA CA C 29 55.524 58.595 -3.071 1
1 315 . 1 2 1 A 29 29 ALA CB C 29 18.122 29.852 -11.730 1
1 316 . 1 2 1 A 29 29 ALA N N 29 120.034 118.995 1.039 1
1 317 . 1 2 1 A 30 30 ARG H H 30 7.994 8.050 -0.056 1
1 318 . 1 2 1 A 30 30 ARG HA H 30 3.965 3.974 -0.009 1
1 325 . 1 2 1 A 30 30 ARG CA C 30 59.663 58.302 1.361 1
1 326 . 1 2 1 A 30 30 ARG CB C 30 30.860 41.806 -10.946 1
1 329 . 1 2 1 A 30 30 ARG N N 30 119.884 121.149 -1.265 1
1 330 . 1 2 1 A 31 31 LEU H H 31 8.516 8.595 -0.079 1
1 331 . 1 2 1 A 31 31 LEU HA H 31 3.964 4.087 -0.123 1
1 341 . 1 2 1 A 31 31 LEU CA C 31 58.141 58.602 -0.461 1
1 342 . 1 2 1 A 31 31 LEU CB C 31 44.129 31.450 12.679 1
1 346 . 1 2 1 A 31 31 LEU N N 31 120.609 117.783 2.826 1
1 347 . 1 2 1 A 32 32 LYS H H 32 9.048 7.729 1.319 1
1 348 . 1 2 1 A 32 32 LYS HA H 32 3.822 4.147 -0.325 1
1 357 . 1 2 1 A 32 32 LYS CA C 32 60.976 59.333 1.643 1
1 358 . 1 2 1 A 32 32 LYS CB C 32 32.591 32.200 0.391 1
1 362 . 1 2 1 A 32 32 LYS N N 32 118.822 119.754 -0.932 1
1 363 . 1 2 1 A 33 33 LYS H H 33 7.381 7.839 -0.458 1
1 364 . 1 2 1 A 33 33 LYS HA H 33 4.141 4.016 0.125 1
1 373 . 1 2 1 A 33 33 LYS CA C 33 58.987 58.117 0.870 1
1 374 . 1 2 1 A 33 33 LYS CB C 33 32.372 41.833 -9.461 1
1 378 . 1 2 1 A 33 33 LYS N N 33 117.698 121.190 -3.492 1
1 379 . 1 2 1 A 34 34 LEU H H 34 7.475 7.896 -0.421 1
1 380 . 1 2 1 A 34 34 LEU HA H 34 4.185 3.839 0.346 1
1 390 . 1 2 1 A 34 34 LEU CA C 34 57.475 65.497 -8.022 1
1 391 . 1 2 1 A 34 34 LEU CB C 34 42.687 31.629 11.058 1
1 395 . 1 2 1 A 34 34 LEU N N 34 118.971 118.255 0.716 1
1 396 . 1 2 1 A 35 35 VAL H H 35 7.794 8.066 -0.272 1
1 405 . 1 2 1 A 35 35 VAL CA C 35 62.990 46.937 16.053 1
1 409 . 1 2 1 A 35 35 VAL N N 35 113.834 108.945 4.889 1
1 410 . 1 2 1 A 36 36 GLY H H 36 7.873 7.606 0.267 1
1 413 . 1 2 1 A 36 36 GLY CA C 36 45.946 55.551 -9.605 1
1 414 . 1 2 1 A 36 36 GLY N N 36 109.267 118.465 -9.198 1
1 3 . 2 2 1 A 1 1 GLY CA C 1 43.523 50.795 -7.272 1
1 4 . 2 2 1 A 2 2 ALA H H 2 8.725 8.829 -0.104 1
1 9 . 2 2 1 A 2 2 ALA CA C 2 52.891 47.094 5.797 1
1 11 . 2 2 1 A 2 2 ALA N N 2 124.084 106.479 17.605 1
1 12 . 2 2 1 A 3 3 GLY H H 3 8.647 8.062 0.585 1
1 15 . 2 2 1 A 3 3 GLY CA C 3 45.438 60.976 -15.538 1
1 16 . 2 2 1 A 3 3 GLY N N 3 108.827 118.974 -10.147 1
1 17 . 2 2 1 A 4 4 SER H H 4 8.311 7.950 0.361 1
1 18 . 2 2 1 A 4 4 SER HA H 4 4.493 4.147 0.346 1
1 21 . 2 2 1 A 4 4 SER CA C 4 58.607 61.634 -3.027 1
1 22 . 2 2 1 A 4 4 SER CB C 4 63.715 62.872 0.843 1
1 23 . 2 2 1 A 4 4 SER N N 4 115.868 115.847 0.021 1
1 24 . 2 2 1 A 5 5 SER H H 5 8.620 8.033 0.587 1
1 25 . 2 2 1 A 5 5 SER HA H 5 4.469 4.130 0.339 1
1 28 . 2 2 1 A 5 5 SER CA C 5 59.103 62.459 -3.356 1
1 29 . 2 2 1 A 5 5 SER CB C 5 63.474 63.236 0.238 1
1 30 . 2 2 1 A 5 5 SER N N 5 118.963 117.023 1.940 1
1 31 . 2 2 1 A 6 6 SER H H 6 8.490 7.870 0.620 1
1 32 . 2 2 1 A 6 6 SER HA H 6 4.388 4.049 0.339 1
1 35 . 2 2 1 A 6 6 SER CA C 6 59.989 57.950 2.039 1
1 36 . 2 2 1 A 6 6 SER CB C 6 63.455 41.505 21.950 1
1 37 . 2 2 1 A 6 6 SER N N 6 119.176 122.191 -3.015 1
1 38 . 2 2 1 A 7 7 LEU H H 7 8.281 8.512 -0.231 1
1 39 . 2 2 1 A 7 7 LEU HA H 7 4.129 3.904 0.225 1
1 49 . 2 2 1 A 7 7 LEU CA C 7 57.627 59.743 -2.116 1
1 50 . 2 2 1 A 7 7 LEU CB C 7 41.789 29.503 12.286 1
1 54 . 2 2 1 A 7 7 LEU N N 7 123.537 119.276 4.261 1
1 55 . 2 2 1 A 8 8 GLU H H 8 8.192 7.925 0.267 1
1 56 . 2 2 1 A 8 8 GLU HA H 8 4.028 4.081 -0.053 1
1 61 . 2 2 1 A 8 8 GLU CA C 8 59.357 55.092 4.265 1
1 62 . 2 2 1 A 8 8 GLU CB C 8 29.135 18.502 10.633 1
1 64 . 2 2 1 A 8 8 GLU N N 8 118.872 122.082 -3.210 1
1 65 . 2 2 1 A 9 9 ALA H H 9 7.973 8.413 -0.440 1
1 66 . 2 2 1 A 9 9 ALA HA H 9 4.090 3.348 0.742 1
1 70 . 2 2 1 A 9 9 ALA CA C 9 55.445 67.300 -11.855 1
1 71 . 2 2 1 A 9 9 ALA CB C 9 18.235 31.361 -13.126 1
1 72 . 2 2 1 A 9 9 ALA N N 9 121.399 118.590 2.809 1
1 73 . 2 2 1 A 10 10 VAL H H 10 7.889 8.227 -0.338 1
1 74 . 2 2 1 A 10 10 VAL HA H 10 3.731 3.939 -0.208 1
1 82 . 2 2 1 A 10 10 VAL CA C 10 66.289 59.911 6.378 1
1 83 . 2 2 1 A 10 10 VAL CB C 10 31.617 29.803 1.814 1
1 86 . 2 2 1 A 10 10 VAL N N 10 119.522 119.782 -0.260 1
1 87 . 2 2 1 A 11 11 ARG H H 11 8.299 8.140 0.159 1
1 88 . 2 2 1 A 11 11 ARG HA H 11 3.844 4.071 -0.227 1
1 95 . 2 2 1 A 11 11 ARG CA C 11 60.565 59.144 1.421 1
1 96 . 2 2 1 A 11 11 ARG CB C 11 30.302 29.881 0.421 1
1 99 . 2 2 1 A 11 11 ARG N N 11 120.475 119.356 1.119 1
1 100 . 2 2 1 A 12 12 ARG H H 12 8.183 8.052 0.131 1
1 101 . 2 2 1 A 12 12 ARG HA H 12 3.998 4.076 -0.078 1
1 108 . 2 2 1 A 12 12 ARG CA C 12 59.526 59.258 0.268 1
1 109 . 2 2 1 A 12 12 ARG CB C 12 30.264 32.209 -1.945 1
1 112 . 2 2 1 A 12 12 ARG N N 12 118.440 119.286 -0.846 1
1 113 . 2 2 1 A 13 13 LYS H H 13 7.972 7.979 -0.007 1
1 114 . 2 2 1 A 13 13 LYS HA H 13 4.147 3.857 0.290 1
1 123 . 2 2 1 A 13 13 LYS CA C 13 59.104 63.579 -4.475 1
1 124 . 2 2 1 A 13 13 LYS CB C 13 32.697 37.166 -4.469 1
1 128 . 2 2 1 A 13 13 LYS N N 13 122.454 118.567 3.887 1
1 129 . 2 2 1 A 14 14 ILE H H 14 8.291 7.905 0.386 1
1 130 . 2 2 1 A 14 14 ILE HA H 14 3.526 3.949 -0.423 1
1 140 . 2 2 1 A 14 14 ILE CA C 14 66.269 59.689 6.580 1
1 141 . 2 2 1 A 14 14 ILE CB C 14 37.845 29.918 7.927 1
1 145 . 2 2 1 A 14 14 ILE N N 14 119.298 122.180 -2.882 1
1 146 . 2 2 1 A 15 15 ARG H H 15 8.047 8.018 0.029 1
1 147 . 2 2 1 A 15 15 ARG HA H 15 4.250 4.244 0.006 1
1 154 . 2 2 1 A 15 15 ARG CA C 15 59.244 61.276 -2.032 1
1 155 . 2 2 1 A 15 15 ARG CB C 15 29.793 62.874 -33.081 1
1 158 . 2 2 1 A 15 15 ARG N N 15 120.923 114.187 6.736 1
1 159 . 2 2 1 A 16 16 SER H H 16 8.374 8.568 -0.194 1
1 160 . 2 2 1 A 16 16 SER HA H 16 4.344 3.919 0.425 1
1 163 . 2 2 1 A 16 16 SER CA C 16 61.861 58.110 3.751 1
1 164 . 2 2 1 A 16 16 SER CB C 16 62.882 41.797 21.085 1
1 165 . 2 2 1 A 16 16 SER N N 16 114.520 122.339 -7.819 1
1 166 . 2 2 1 A 17 17 LEU H H 17 8.135 8.019 0.116 1
1 167 . 2 2 1 A 17 17 LEU HA H 17 4.096 4.082 0.014 1
1 177 . 2 2 1 A 17 17 LEU CA C 17 58.197 59.425 -1.228 1
1 178 . 2 2 1 A 17 17 LEU CB C 17 43.647 28.106 15.541 1
1 182 . 2 2 1 A 17 17 LEU N N 17 122.938 117.601 5.337 1
1 183 . 2 2 1 A 18 18 GLN H H 18 8.649 8.463 0.186 1
1 184 . 2 2 1 A 18 18 GLN HA H 18 3.965 4.101 -0.136 1
1 191 . 2 2 1 A 18 18 GLN CA C 18 59.450 59.547 -0.097 1
1 192 . 2 2 1 A 18 18 GLN CB C 18 28.710 29.168 -0.458 1
1 194 . 2 2 1 A 18 18 GLN N N 18 119.456 119.802 -0.346 1
1 196 . 2 2 1 A 19 19 GLU H H 19 8.500 8.297 0.203 1
1 197 . 2 2 1 A 19 19 GLU HA H 19 4.120 4.134 -0.014 1
1 202 . 2 2 1 A 19 19 GLU CA C 19 59.647 58.988 0.659 1
1 203 . 2 2 1 A 19 19 GLU CB C 19 29.625 28.412 1.213 1
1 205 . 2 2 1 A 19 19 GLU N N 19 120.612 119.173 1.439 1
1 206 . 2 2 1 A 20 20 GLN H H 20 8.424 8.487 -0.063 1
1 207 . 2 2 1 A 20 20 GLN HA H 20 4.285 4.476 -0.191 1
1 214 . 2 2 1 A 20 20 GLN CA C 20 58.982 56.366 2.616 1
1 215 . 2 2 1 A 20 20 GLN CB C 20 28.787 38.205 -9.418 1
1 217 . 2 2 1 A 20 20 GLN N N 20 120.205 118.403 1.802 1
1 219 . 2 2 1 A 21 21 ASN H H 21 8.563 8.358 0.205 1
1 220 . 2 2 1 A 21 21 ASN HA H 21 4.383 4.440 -0.057 1
1 225 . 2 2 1 A 21 21 ASN CA C 21 57.475 61.479 -4.004 1
1 226 . 2 2 1 A 21 21 ASN CB C 21 38.667 38.228 0.439 1
1 227 . 2 2 1 A 21 21 ASN N N 21 120.117 122.728 -2.611 1
1 229 . 2 2 1 A 22 22 TYR H H 22 8.115 8.260 -0.145 1
1 230 . 2 2 1 A 22 22 TYR HA H 22 4.394 4.758 -0.364 1
1 237 . 2 2 1 A 22 22 TYR CA C 22 60.646 59.746 0.900 1
1 238 . 2 2 1 A 22 22 TYR CB C 22 37.993 29.676 8.317 1
1 239 . 2 2 1 A 22 22 TYR N N 22 120.082 118.797 1.285 1
1 240 . 2 2 1 A 23 23 HIS H H 23 8.025 8.555 -0.530 1
1 241 . 2 2 1 A 23 23 HIS HA H 23 4.402 3.875 0.527 1
1 245 . 2 2 1 A 23 23 HIS CA C 23 59.328 57.810 1.518 1
1 246 . 2 2 1 A 23 23 HIS CB C 23 29.518 41.209 -11.691 1
1 247 . 2 2 1 A 23 23 HIS N N 23 118.108 119.252 -1.144 1
1 248 . 2 2 1 A 24 24 LEU H H 24 8.751 8.565 0.186 1
1 249 . 2 2 1 A 24 24 LEU HA H 24 3.928 3.927 0.001 1
1 259 . 2 2 1 A 24 24 LEU CA C 24 58.226 59.652 -1.426 1
1 260 . 2 2 1 A 24 24 LEU CB C 24 43.778 29.110 14.668 1
1 264 . 2 2 1 A 24 24 LEU N N 24 120.548 119.652 0.896 1
1 265 . 2 2 1 A 25 25 GLU H H 25 8.830 8.236 0.594 1
1 266 . 2 2 1 A 25 25 GLU HA H 25 3.926 4.354 -0.428 1
1 271 . 2 2 1 A 25 25 GLU CA C 25 60.114 55.974 4.140 1
1 272 . 2 2 1 A 25 25 GLU CB C 25 29.339 37.190 -7.851 1
1 274 . 2 2 1 A 25 25 GLU N N 25 119.875 117.084 2.791 1
1 275 . 2 2 1 A 26 26 ASN H H 26 7.774 7.953 -0.179 1
1 276 . 2 2 1 A 26 26 ASN HA H 26 4.435 4.001 0.434 1
1 281 . 2 2 1 A 26 26 ASN CA C 26 56.238 59.278 -3.040 1
1 282 . 2 2 1 A 26 26 ASN CB C 26 37.945 29.698 8.247 1
1 283 . 2 2 1 A 26 26 ASN N N 26 119.022 119.856 -0.834 1
1 285 . 2 2 1 A 27 27 GLU H H 27 8.179 8.708 -0.529 1
1 286 . 2 2 1 A 27 27 GLU HA H 27 4.436 3.692 0.744 1
1 291 . 2 2 1 A 27 27 GLU CA C 27 58.674 66.332 -7.658 1
1 292 . 2 2 1 A 27 27 GLU CB C 27 30.279 31.365 -1.086 1
1 294 . 2 2 1 A 27 27 GLU N N 27 124.075 120.065 4.010 1
1 295 . 2 2 1 A 28 28 VAL H H 28 8.731 8.358 0.373 1
1 296 . 2 2 1 A 28 28 VAL HA H 28 3.385 3.864 -0.479 1
1 304 . 2 2 1 A 28 28 VAL CA C 28 67.756 55.676 12.080 1
1 305 . 2 2 1 A 28 28 VAL CB C 28 31.732 18.483 13.249 1
1 308 . 2 2 1 A 28 28 VAL N N 28 120.425 121.887 -1.462 1
1 309 . 2 2 1 A 29 29 ALA H H 29 7.767 7.621 0.146 1
1 310 . 2 2 1 A 29 29 ALA HA H 29 4.010 4.124 -0.114 1
1 314 . 2 2 1 A 29 29 ALA CA C 29 55.524 58.671 -3.147 1
1 315 . 2 2 1 A 29 29 ALA CB C 29 18.122 29.954 -11.832 1
1 316 . 2 2 1 A 29 29 ALA N N 29 120.034 118.817 1.217 1
1 317 . 2 2 1 A 30 30 ARG H H 30 7.994 8.161 -0.167 1
1 318 . 2 2 1 A 30 30 ARG HA H 30 3.965 4.052 -0.087 1
1 325 . 2 2 1 A 30 30 ARG CA C 30 59.663 57.940 1.723 1
1 326 . 2 2 1 A 30 30 ARG CB C 30 30.860 41.201 -10.341 1
1 329 . 2 2 1 A 30 30 ARG N N 30 119.884 119.789 0.095 1
1 330 . 2 2 1 A 31 31 LEU H H 31 8.516 8.807 -0.291 1
1 331 . 2 2 1 A 31 31 LEU HA H 31 3.964 4.048 -0.084 1
1 341 . 2 2 1 A 31 31 LEU CA C 31 58.141 58.851 -0.710 1
1 342 . 2 2 1 A 31 31 LEU CB C 31 44.129 31.634 12.495 1
1 346 . 2 2 1 A 31 31 LEU N N 31 120.609 118.896 1.713 1
1 347 . 2 2 1 A 32 32 LYS H H 32 9.048 7.632 1.416 1
1 348 . 2 2 1 A 32 32 LYS HA H 32 3.822 4.141 -0.319 1
1 357 . 2 2 1 A 32 32 LYS CA C 32 60.976 59.308 1.668 1
1 358 . 2 2 1 A 32 32 LYS CB C 32 32.591 32.241 0.350 1
1 362 . 2 2 1 A 32 32 LYS N N 32 118.822 119.672 -0.850 1
1 363 . 2 2 1 A 33 33 LYS H H 33 7.381 7.943 -0.562 1
1 364 . 2 2 1 A 33 33 LYS HA H 33 4.141 4.017 0.124 1
1 373 . 2 2 1 A 33 33 LYS CA C 33 58.987 58.290 0.697 1
1 374 . 2 2 1 A 33 33 LYS CB C 33 32.372 41.589 -9.217 1
1 378 . 2 2 1 A 33 33 LYS N N 33 117.698 121.087 -3.389 1
1 379 . 2 2 1 A 34 34 LEU H H 34 7.475 8.306 -0.831 1
1 380 . 2 2 1 A 34 34 LEU HA H 34 4.185 3.852 0.333 1
1 390 . 2 2 1 A 34 34 LEU CA C 34 57.475 65.355 -7.880 1
1 391 . 2 2 1 A 34 34 LEU CB C 34 42.687 31.476 11.211 1
1 395 . 2 2 1 A 34 34 LEU N N 34 118.971 118.148 0.823 1
1 396 . 2 2 1 A 35 35 VAL H H 35 7.794 7.976 -0.182 1
1 405 . 2 2 1 A 35 35 VAL CA C 35 62.990 47.116 15.874 1
1 409 . 2 2 1 A 35 35 VAL N N 35 113.834 109.079 4.755 1
1 410 . 2 2 1 A 36 36 GLY H H 36 7.873 8.012 -0.139 1
1 413 . 2 2 1 A 36 36 GLY CA C 36 45.946 58.858 -12.912 1
1 414 . 2 2 1 A 36 36 GLY N N 36 109.267 116.240 -6.973 1
1 3 . 3 2 1 A 1 1 GLY CA C 1 43.523 52.808 -9.285 1
1 4 . 3 2 1 A 2 2 ALA H H 2 8.725 8.075 0.650 1
1 9 . 3 2 1 A 2 2 ALA CA C 2 52.891 44.455 8.436 1
1 11 . 3 2 1 A 2 2 ALA N N 2 124.084 107.846 16.238 1
1 12 . 3 2 1 A 3 3 GLY H H 3 8.647 8.902 -0.255 1
1 15 . 3 2 1 A 3 3 GLY CA C 3 45.438 62.195 -16.757 1
1 16 . 3 2 1 A 3 3 GLY N N 3 108.827 115.647 -6.820 1
1 17 . 3 2 1 A 4 4 SER H H 4 8.311 8.121 0.190 1
1 18 . 3 2 1 A 4 4 SER HA H 4 4.493 4.179 0.314 1
1 21 . 3 2 1 A 4 4 SER CA C 4 58.607 61.394 -2.787 1
1 22 . 3 2 1 A 4 4 SER CB C 4 63.715 63.041 0.674 1
1 23 . 3 2 1 A 4 4 SER N N 4 115.868 119.947 -4.079 1
1 24 . 3 2 1 A 5 5 SER H H 5 8.620 7.928 0.692 1
1 25 . 3 2 1 A 5 5 SER HA H 5 4.469 4.091 0.378 1
1 28 . 3 2 1 A 5 5 SER CA C 5 59.103 62.427 -3.324 1
1 29 . 3 2 1 A 5 5 SER CB C 5 63.474 63.075 0.399 1
1 30 . 3 2 1 A 5 5 SER N N 5 118.963 119.634 -0.671 1
1 31 . 3 2 1 A 6 6 SER H H 6 8.490 8.245 0.245 1
1 32 . 3 2 1 A 6 6 SER HA H 6 4.388 4.058 0.330 1
1 35 . 3 2 1 A 6 6 SER CA C 6 59.989 58.739 1.250 1
1 36 . 3 2 1 A 6 6 SER CB C 6 63.455 41.846 21.609 1
1 37 . 3 2 1 A 6 6 SER N N 6 119.176 122.550 -3.374 1
1 38 . 3 2 1 A 7 7 LEU H H 7 8.281 8.586 -0.305 1
1 39 . 3 2 1 A 7 7 LEU HA H 7 4.129 3.956 0.173 1
1 49 . 3 2 1 A 7 7 LEU CA C 7 57.627 59.742 -2.115 1
1 50 . 3 2 1 A 7 7 LEU CB C 7 41.789 29.047 12.742 1
1 54 . 3 2 1 A 7 7 LEU N N 7 123.537 119.563 3.974 1
1 55 . 3 2 1 A 8 8 GLU H H 8 8.192 7.965 0.227 1
1 56 . 3 2 1 A 8 8 GLU HA H 8 4.028 4.041 -0.013 1
1 61 . 3 2 1 A 8 8 GLU CA C 8 59.357 55.306 4.051 1
1 62 . 3 2 1 A 8 8 GLU CB C 8 29.135 18.226 10.909 1
1 64 . 3 2 1 A 8 8 GLU N N 8 118.872 121.792 -2.920 1
1 65 . 3 2 1 A 9 9 ALA H H 9 7.973 8.119 -0.146 1
1 66 . 3 2 1 A 9 9 ALA HA H 9 4.090 3.421 0.669 1
1 70 . 3 2 1 A 9 9 ALA CA C 9 55.445 66.425 -10.980 1
1 71 . 3 2 1 A 9 9 ALA CB C 9 18.235 31.490 -13.255 1
1 72 . 3 2 1 A 9 9 ALA N N 9 121.399 118.449 2.950 1
1 73 . 3 2 1 A 10 10 VAL H H 10 7.889 8.298 -0.409 1
1 74 . 3 2 1 A 10 10 VAL HA H 10 3.731 3.932 -0.201 1
1 82 . 3 2 1 A 10 10 VAL CA C 10 66.289 59.919 6.370 1
1 83 . 3 2 1 A 10 10 VAL CB C 10 31.617 29.756 1.861 1
1 86 . 3 2 1 A 10 10 VAL N N 10 119.522 120.057 -0.535 1
1 87 . 3 2 1 A 11 11 ARG H H 11 8.299 8.224 0.075 1
1 88 . 3 2 1 A 11 11 ARG HA H 11 3.844 4.019 -0.175 1
1 95 . 3 2 1 A 11 11 ARG CA C 11 60.565 59.307 1.258 1
1 96 . 3 2 1 A 11 11 ARG CB C 11 30.302 30.106 0.196 1
1 99 . 3 2 1 A 11 11 ARG N N 11 120.475 119.529 0.946 1
1 100 . 3 2 1 A 12 12 ARG H H 12 8.183 8.102 0.081 1
1 101 . 3 2 1 A 12 12 ARG HA H 12 3.998 4.092 -0.094 1
1 108 . 3 2 1 A 12 12 ARG CA C 12 59.526 59.213 0.313 1
1 109 . 3 2 1 A 12 12 ARG CB C 12 30.264 32.180 -1.916 1
1 112 . 3 2 1 A 12 12 ARG N N 12 118.440 119.342 -0.902 1
1 113 . 3 2 1 A 13 13 LYS H H 13 7.972 8.271 -0.299 1
1 114 . 3 2 1 A 13 13 LYS HA H 13 4.147 3.814 0.333 1
1 123 . 3 2 1 A 13 13 LYS CA C 13 59.104 64.439 -5.335 1
1 124 . 3 2 1 A 13 13 LYS CB C 13 32.697 37.486 -4.789 1
1 128 . 3 2 1 A 13 13 LYS N N 13 122.454 118.278 4.176 1
1 129 . 3 2 1 A 14 14 ILE H H 14 8.291 7.891 0.400 1
1 130 . 3 2 1 A 14 14 ILE HA H 14 3.526 4.029 -0.503 1
1 140 . 3 2 1 A 14 14 ILE CA C 14 66.269 59.520 6.749 1
1 141 . 3 2 1 A 14 14 ILE CB C 14 37.845 29.878 7.967 1
1 145 . 3 2 1 A 14 14 ILE N N 14 119.298 122.230 -2.932 1
1 146 . 3 2 1 A 15 15 ARG H H 15 8.047 7.816 0.231 1
1 147 . 3 2 1 A 15 15 ARG HA H 15 4.250 4.285 -0.035 1
1 154 . 3 2 1 A 15 15 ARG CA C 15 59.244 61.065 -1.821 1
1 155 . 3 2 1 A 15 15 ARG CB C 15 29.793 62.852 -33.059 1
1 158 . 3 2 1 A 15 15 ARG N N 15 120.923 114.447 6.476 1
1 159 . 3 2 1 A 16 16 SER H H 16 8.374 8.780 -0.406 1
1 160 . 3 2 1 A 16 16 SER HA H 16 4.344 4.002 0.342 1
1 163 . 3 2 1 A 16 16 SER CA C 16 61.861 57.898 3.963 1
1 164 . 3 2 1 A 16 16 SER CB C 16 62.882 41.190 21.692 1
1 165 . 3 2 1 A 16 16 SER N N 16 114.520 122.661 -8.141 1
1 166 . 3 2 1 A 17 17 LEU H H 17 8.135 8.463 -0.328 1
1 167 . 3 2 1 A 17 17 LEU HA H 17 4.096 3.997 0.099 1
1 177 . 3 2 1 A 17 17 LEU CA C 17 58.197 59.313 -1.116 1
1 178 . 3 2 1 A 17 17 LEU CB C 17 43.647 28.602 15.045 1
1 182 . 3 2 1 A 17 17 LEU N N 17 122.938 118.830 4.108 1
1 183 . 3 2 1 A 18 18 GLN H H 18 8.649 8.317 0.332 1
1 184 . 3 2 1 A 18 18 GLN HA H 18 3.965 4.109 -0.144 1
1 191 . 3 2 1 A 18 18 GLN CA C 18 59.450 59.698 -0.248 1
1 192 . 3 2 1 A 18 18 GLN CB C 18 28.710 28.988 -0.278 1
1 194 . 3 2 1 A 18 18 GLN N N 18 119.456 120.354 -0.898 1
1 196 . 3 2 1 A 19 19 GLU H H 19 8.500 8.387 0.113 1
1 197 . 3 2 1 A 19 19 GLU HA H 19 4.120 4.058 0.062 1
1 202 . 3 2 1 A 19 19 GLU CA C 19 59.647 58.957 0.690 1
1 203 . 3 2 1 A 19 19 GLU CB C 19 29.625 28.214 1.411 1
1 205 . 3 2 1 A 19 19 GLU N N 19 120.612 118.910 1.702 1
1 206 . 3 2 1 A 20 20 GLN H H 20 8.424 8.649 -0.225 1
1 207 . 3 2 1 A 20 20 GLN HA H 20 4.285 4.471 -0.186 1
1 214 . 3 2 1 A 20 20 GLN CA C 20 58.982 56.008 2.974 1
1 215 . 3 2 1 A 20 20 GLN CB C 20 28.787 38.593 -9.806 1
1 217 . 3 2 1 A 20 20 GLN N N 20 120.205 117.965 2.240 1
1 219 . 3 2 1 A 21 21 ASN H H 21 8.563 8.378 0.185 1
1 220 . 3 2 1 A 21 21 ASN HA H 21 4.383 4.306 0.077 1
1 225 . 3 2 1 A 21 21 ASN CA C 21 57.475 61.515 -4.040 1
1 226 . 3 2 1 A 21 21 ASN CB C 21 38.667 38.198 0.469 1
1 227 . 3 2 1 A 21 21 ASN N N 21 120.117 121.640 -1.523 1
1 229 . 3 2 1 A 22 22 TYR H H 22 8.115 8.494 -0.379 1
1 230 . 3 2 1 A 22 22 TYR HA H 22 4.394 4.207 0.187 1
1 237 . 3 2 1 A 22 22 TYR CA C 22 60.646 59.842 0.804 1
1 238 . 3 2 1 A 22 22 TYR CB C 22 37.993 29.882 8.111 1
1 239 . 3 2 1 A 22 22 TYR N N 22 120.082 119.461 0.621 1
1 240 . 3 2 1 A 23 23 HIS H H 23 8.025 8.269 -0.244 1
1 241 . 3 2 1 A 23 23 HIS HA H 23 4.402 4.030 0.372 1
1 245 . 3 2 1 A 23 23 HIS CA C 23 59.328 57.682 1.646 1
1 246 . 3 2 1 A 23 23 HIS CB C 23 29.518 41.895 -12.377 1
1 247 . 3 2 1 A 23 23 HIS N N 23 118.108 120.059 -1.951 1
1 248 . 3 2 1 A 24 24 LEU H H 24 8.751 8.937 -0.186 1
1 249 . 3 2 1 A 24 24 LEU HA H 24 3.928 3.904 0.024 1
1 259 . 3 2 1 A 24 24 LEU CA C 24 58.226 59.919 -1.693 1
1 260 . 3 2 1 A 24 24 LEU CB C 24 43.778 29.245 14.533 1
1 264 . 3 2 1 A 24 24 LEU N N 24 120.548 119.296 1.252 1
1 265 . 3 2 1 A 25 25 GLU H H 25 8.830 7.983 0.847 1
1 266 . 3 2 1 A 25 25 GLU HA H 25 3.926 4.393 -0.467 1
1 271 . 3 2 1 A 25 25 GLU CA C 25 60.114 56.045 4.069 1
1 272 . 3 2 1 A 25 25 GLU CB C 25 29.339 37.443 -8.104 1
1 274 . 3 2 1 A 25 25 GLU N N 25 119.875 118.524 1.351 1
1 275 . 3 2 1 A 26 26 ASN H H 26 7.774 8.154 -0.380 1
1 276 . 3 2 1 A 26 26 ASN HA H 26 4.435 4.041 0.394 1
1 281 . 3 2 1 A 26 26 ASN CA C 26 56.238 59.156 -2.918 1
1 282 . 3 2 1 A 26 26 ASN CB C 26 37.945 29.617 8.328 1
1 283 . 3 2 1 A 26 26 ASN N N 26 119.022 119.871 -0.849 1
1 285 . 3 2 1 A 27 27 GLU H H 27 8.179 9.020 -0.841 1
1 286 . 3 2 1 A 27 27 GLU HA H 27 4.436 3.807 0.629 1
1 291 . 3 2 1 A 27 27 GLU CA C 27 58.674 65.246 -6.572 1
1 292 . 3 2 1 A 27 27 GLU CB C 27 30.279 31.179 -0.900 1
1 294 . 3 2 1 A 27 27 GLU N N 27 124.075 118.993 5.082 1
1 295 . 3 2 1 A 28 28 VAL H H 28 8.731 8.104 0.627 1
1 296 . 3 2 1 A 28 28 VAL HA H 28 3.385 3.940 -0.555 1
1 304 . 3 2 1 A 28 28 VAL CA C 28 67.756 55.797 11.959 1
1 305 . 3 2 1 A 28 28 VAL CB C 28 31.732 18.582 13.150 1
1 308 . 3 2 1 A 28 28 VAL N N 28 120.425 123.121 -2.696 1
1 309 . 3 2 1 A 29 29 ALA H H 29 7.767 7.862 -0.095 1
1 310 . 3 2 1 A 29 29 ALA HA H 29 4.010 4.052 -0.042 1
1 314 . 3 2 1 A 29 29 ALA CA C 29 55.524 58.569 -3.045 1
1 315 . 3 2 1 A 29 29 ALA CB C 29 18.122 29.651 -11.529 1
1 316 . 3 2 1 A 29 29 ALA N N 29 120.034 117.819 2.215 1
1 317 . 3 2 1 A 30 30 ARG H H 30 7.994 8.420 -0.426 1
1 318 . 3 2 1 A 30 30 ARG HA H 30 3.965 3.976 -0.011 1
1 325 . 3 2 1 A 30 30 ARG CA C 30 59.663 57.811 1.852 1
1 326 . 3 2 1 A 30 30 ARG CB C 30 30.860 41.525 -10.665 1
1 329 . 3 2 1 A 30 30 ARG N N 30 119.884 121.089 -1.205 1
1 330 . 3 2 1 A 31 31 LEU H H 31 8.516 8.440 0.076 1
1 331 . 3 2 1 A 31 31 LEU HA H 31 3.964 4.084 -0.120 1
1 341 . 3 2 1 A 31 31 LEU CA C 31 58.141 58.688 -0.547 1
1 342 . 3 2 1 A 31 31 LEU CB C 31 44.129 31.390 12.739 1
1 346 . 3 2 1 A 31 31 LEU N N 31 120.609 118.636 1.973 1
1 347 . 3 2 1 A 32 32 LYS H H 32 9.048 7.666 1.382 1
1 348 . 3 2 1 A 32 32 LYS HA H 32 3.822 4.133 -0.311 1
1 357 . 3 2 1 A 32 32 LYS CA C 32 60.976 59.222 1.754 1
1 358 . 3 2 1 A 32 32 LYS CB C 32 32.591 32.353 0.238 1
1 362 . 3 2 1 A 32 32 LYS N N 32 118.822 119.994 -1.172 1
1 363 . 3 2 1 A 33 33 LYS H H 33 7.381 7.618 -0.237 1
1 364 . 3 2 1 A 33 33 LYS HA H 33 4.141 4.053 0.088 1
1 373 . 3 2 1 A 33 33 LYS CA C 33 58.987 57.919 1.068 1
1 374 . 3 2 1 A 33 33 LYS CB C 33 32.372 41.946 -9.574 1
1 378 . 3 2 1 A 33 33 LYS N N 33 117.698 120.905 -3.207 1
1 379 . 3 2 1 A 34 34 LEU H H 34 7.475 8.259 -0.784 1
1 380 . 3 2 1 A 34 34 LEU HA H 34 4.185 3.787 0.398 1
1 390 . 3 2 1 A 34 34 LEU CA C 34 57.475 65.780 -8.305 1
1 391 . 3 2 1 A 34 34 LEU CB C 34 42.687 31.415 11.272 1
1 395 . 3 2 1 A 34 34 LEU N N 34 118.971 118.444 0.527 1
1 396 . 3 2 1 A 35 35 VAL H H 35 7.794 7.968 -0.174 1
1 405 . 3 2 1 A 35 35 VAL CA C 35 62.990 46.919 16.071 1
1 409 . 3 2 1 A 35 35 VAL N N 35 113.834 108.727 5.107 1
1 410 . 3 2 1 A 36 36 GLY H H 36 7.873 7.806 0.067 1
1 413 . 3 2 1 A 36 36 GLY CA C 36 45.946 58.577 -12.631 1
1 414 . 3 2 1 A 36 36 GLY N N 36 109.267 116.592 -7.325 1
1 3 . 4 2 1 A 1 1 GLY CA C 1 43.523 51.695 -8.172 1
1 4 . 4 2 1 A 2 2 ALA H H 2 8.725 8.173 0.552 1
1 9 . 4 2 1 A 2 2 ALA CA C 2 52.891 44.136 8.755 1
1 11 . 4 2 1 A 2 2 ALA N N 2 124.084 108.399 15.685 1
1 12 . 4 2 1 A 3 3 GLY H H 3 8.647 8.749 -0.102 1
1 15 . 4 2 1 A 3 3 GLY CA C 3 45.438 60.135 -14.697 1
1 16 . 4 2 1 A 3 3 GLY N N 3 108.827 114.208 -5.381 1
1 17 . 4 2 1 A 4 4 SER H H 4 8.311 8.040 0.271 1
1 18 . 4 2 1 A 4 4 SER HA H 4 4.493 4.168 0.325 1
1 21 . 4 2 1 A 4 4 SER CA C 4 58.607 61.461 -2.854 1
1 22 . 4 2 1 A 4 4 SER CB C 4 63.715 63.027 0.688 1
1 23 . 4 2 1 A 4 4 SER N N 4 115.868 115.876 -0.008 1
1 24 . 4 2 1 A 5 5 SER H H 5 8.620 8.225 0.395 1
1 25 . 4 2 1 A 5 5 SER HA H 5 4.469 4.207 0.262 1
1 28 . 4 2 1 A 5 5 SER CA C 5 59.103 61.630 -2.527 1
1 29 . 4 2 1 A 5 5 SER CB C 5 63.474 62.418 1.056 1
1 30 . 4 2 1 A 5 5 SER N N 5 118.963 116.081 2.882 1
1 31 . 4 2 1 A 6 6 SER H H 6 8.490 8.147 0.343 1
1 32 . 4 2 1 A 6 6 SER HA H 6 4.388 4.039 0.349 1
1 35 . 4 2 1 A 6 6 SER CA C 6 59.989 58.048 1.941 1
1 36 . 4 2 1 A 6 6 SER CB C 6 63.455 41.858 21.597 1
1 37 . 4 2 1 A 6 6 SER N N 6 119.176 123.996 -4.820 1
1 38 . 4 2 1 A 7 7 LEU H H 7 8.281 8.488 -0.207 1
1 39 . 4 2 1 A 7 7 LEU HA H 7 4.129 3.915 0.214 1
1 49 . 4 2 1 A 7 7 LEU CA C 7 57.627 59.765 -2.138 1
1 50 . 4 2 1 A 7 7 LEU CB C 7 41.789 29.566 12.223 1
1 54 . 4 2 1 A 7 7 LEU N N 7 123.537 119.284 4.253 1
1 55 . 4 2 1 A 8 8 GLU H H 8 8.192 8.106 0.086 1
1 56 . 4 2 1 A 8 8 GLU HA H 8 4.028 4.030 -0.002 1
1 61 . 4 2 1 A 8 8 GLU CA C 8 59.357 55.291 4.066 1
1 62 . 4 2 1 A 8 8 GLU CB C 8 29.135 18.219 10.916 1
1 64 . 4 2 1 A 8 8 GLU N N 8 118.872 121.834 -2.962 1
1 65 . 4 2 1 A 9 9 ALA H H 9 7.973 7.663 0.310 1
1 66 . 4 2 1 A 9 9 ALA HA H 9 4.090 3.534 0.556 1
1 70 . 4 2 1 A 9 9 ALA CA C 9 55.445 66.099 -10.654 1
1 71 . 4 2 1 A 9 9 ALA CB C 9 18.235 31.788 -13.553 1
1 72 . 4 2 1 A 9 9 ALA N N 9 121.399 117.412 3.987 1
1 73 . 4 2 1 A 10 10 VAL H H 10 7.889 7.853 0.036 1
1 74 . 4 2 1 A 10 10 VAL HA H 10 3.731 3.939 -0.208 1
1 82 . 4 2 1 A 10 10 VAL CA C 10 66.289 59.223 7.066 1
1 83 . 4 2 1 A 10 10 VAL CB C 10 31.617 29.600 2.017 1
1 86 . 4 2 1 A 10 10 VAL N N 10 119.522 120.322 -0.800 1
1 87 . 4 2 1 A 11 11 ARG H H 11 8.299 8.190 0.109 1
1 88 . 4 2 1 A 11 11 ARG HA H 11 3.844 4.010 -0.166 1
1 95 . 4 2 1 A 11 11 ARG CA C 11 60.565 59.392 1.173 1
1 96 . 4 2 1 A 11 11 ARG CB C 11 30.302 29.889 0.413 1
1 99 . 4 2 1 A 11 11 ARG N N 11 120.475 119.890 0.585 1
1 100 . 4 2 1 A 12 12 ARG H H 12 8.183 8.010 0.173 1
1 101 . 4 2 1 A 12 12 ARG HA H 12 3.998 4.099 -0.101 1
1 108 . 4 2 1 A 12 12 ARG CA C 12 59.526 59.193 0.333 1
1 109 . 4 2 1 A 12 12 ARG CB C 12 30.264 32.192 -1.928 1
1 112 . 4 2 1 A 12 12 ARG N N 12 118.440 119.290 -0.850 1
1 113 . 4 2 1 A 13 13 LYS H H 13 7.972 7.889 0.083 1
1 114 . 4 2 1 A 13 13 LYS HA H 13 4.147 3.789 0.358 1
1 123 . 4 2 1 A 13 13 LYS CA C 13 59.104 64.547 -5.443 1
1 124 . 4 2 1 A 13 13 LYS CB C 13 32.697 37.502 -4.805 1
1 128 . 4 2 1 A 13 13 LYS N N 13 122.454 118.296 4.158 1
1 129 . 4 2 1 A 14 14 ILE H H 14 8.291 7.870 0.421 1
1 130 . 4 2 1 A 14 14 ILE HA H 14 3.526 3.920 -0.394 1
1 140 . 4 2 1 A 14 14 ILE CA C 14 66.269 59.765 6.504 1
1 141 . 4 2 1 A 14 14 ILE CB C 14 37.845 30.030 7.815 1
1 145 . 4 2 1 A 14 14 ILE N N 14 119.298 122.230 -2.932 1
1 146 . 4 2 1 A 15 15 ARG H H 15 8.047 7.720 0.327 1
1 147 . 4 2 1 A 15 15 ARG HA H 15 4.250 4.231 0.019 1
1 154 . 4 2 1 A 15 15 ARG CA C 15 59.244 61.625 -2.381 1
1 155 . 4 2 1 A 15 15 ARG CB C 15 29.793 63.126 -33.333 1
1 158 . 4 2 1 A 15 15 ARG N N 15 120.923 114.106 6.817 1
1 159 . 4 2 1 A 16 16 SER H H 16 8.374 8.656 -0.282 1
1 160 . 4 2 1 A 16 16 SER HA H 16 4.344 3.885 0.459 1
1 163 . 4 2 1 A 16 16 SER CA C 16 61.861 58.024 3.837 1
1 164 . 4 2 1 A 16 16 SER CB C 16 62.882 41.231 21.651 1
1 165 . 4 2 1 A 16 16 SER N N 16 114.520 122.251 -7.731 1
1 166 . 4 2 1 A 17 17 LEU H H 17 8.135 8.407 -0.272 1
1 167 . 4 2 1 A 17 17 LEU HA H 17 4.096 3.568 0.528 1
1 177 . 4 2 1 A 17 17 LEU CA C 17 58.197 58.846 -0.649 1
1 178 . 4 2 1 A 17 17 LEU CB C 17 43.647 28.084 15.563 1
1 182 . 4 2 1 A 17 17 LEU N N 17 122.938 117.193 5.745 1
1 183 . 4 2 1 A 18 18 GLN H H 18 8.649 8.023 0.626 1
1 184 . 4 2 1 A 18 18 GLN HA H 18 3.965 4.188 -0.223 1
1 191 . 4 2 1 A 18 18 GLN CA C 18 59.450 59.664 -0.214 1
1 192 . 4 2 1 A 18 18 GLN CB C 18 28.710 29.079 -0.369 1
1 194 . 4 2 1 A 18 18 GLN N N 18 119.456 120.725 -1.269 1
1 196 . 4 2 1 A 19 19 GLU H H 19 8.500 7.882 0.618 1
1 197 . 4 2 1 A 19 19 GLU HA H 19 4.120 4.107 0.013 1
1 202 . 4 2 1 A 19 19 GLU CA C 19 59.647 58.905 0.742 1
1 203 . 4 2 1 A 19 19 GLU CB C 19 29.625 28.276 1.349 1
1 205 . 4 2 1 A 19 19 GLU N N 19 120.612 119.009 1.603 1
1 206 . 4 2 1 A 20 20 GLN H H 20 8.424 8.529 -0.105 1
1 207 . 4 2 1 A 20 20 GLN HA H 20 4.285 4.400 -0.115 1
1 214 . 4 2 1 A 20 20 GLN CA C 20 58.982 56.252 2.730 1
1 215 . 4 2 1 A 20 20 GLN CB C 20 28.787 38.584 -9.797 1
1 217 . 4 2 1 A 20 20 GLN N N 20 120.205 118.112 2.093 1
1 219 . 4 2 1 A 21 21 ASN H H 21 8.563 8.099 0.464 1
1 220 . 4 2 1 A 21 21 ASN HA H 21 4.383 4.206 0.177 1
1 225 . 4 2 1 A 21 21 ASN CA C 21 57.475 60.502 -3.027 1
1 226 . 4 2 1 A 21 21 ASN CB C 21 38.667 38.284 0.383 1
1 227 . 4 2 1 A 21 21 ASN N N 21 120.117 119.619 0.498 1
1 229 . 4 2 1 A 22 22 TYR H H 22 8.115 8.510 -0.395 1
1 230 . 4 2 1 A 22 22 TYR HA H 22 4.394 4.270 0.124 1
1 237 . 4 2 1 A 22 22 TYR CA C 22 60.646 59.864 0.782 1
1 238 . 4 2 1 A 22 22 TYR CB C 22 37.993 29.496 8.497 1
1 239 . 4 2 1 A 22 22 TYR N N 22 120.082 120.074 0.008 1
1 240 . 4 2 1 A 23 23 HIS H H 23 8.025 8.967 -0.942 1
1 241 . 4 2 1 A 23 23 HIS HA H 23 4.402 3.797 0.605 1
1 245 . 4 2 1 A 23 23 HIS CA C 23 59.328 58.367 0.961 1
1 246 . 4 2 1 A 23 23 HIS CB C 23 29.518 41.688 -12.170 1
1 247 . 4 2 1 A 23 23 HIS N N 23 118.108 119.719 -1.611 1
1 248 . 4 2 1 A 24 24 LEU H H 24 8.751 7.991 0.760 1
1 249 . 4 2 1 A 24 24 LEU HA H 24 3.928 3.954 -0.026 1
1 259 . 4 2 1 A 24 24 LEU CA C 24 58.226 59.981 -1.755 1
1 260 . 4 2 1 A 24 24 LEU CB C 24 43.778 29.414 14.364 1
1 264 . 4 2 1 A 24 24 LEU N N 24 120.548 117.702 2.846 1
1 265 . 4 2 1 A 25 25 GLU H H 25 8.830 8.655 0.175 1
1 266 . 4 2 1 A 25 25 GLU HA H 25 3.926 4.537 -0.611 1
1 271 . 4 2 1 A 25 25 GLU CA C 25 60.114 56.106 4.008 1
1 272 . 4 2 1 A 25 25 GLU CB C 25 29.339 37.697 -8.358 1
1 274 . 4 2 1 A 25 25 GLU N N 25 119.875 118.282 1.593 1
1 275 . 4 2 1 A 26 26 ASN H H 26 7.774 8.479 -0.705 1
1 276 . 4 2 1 A 26 26 ASN HA H 26 4.435 4.230 0.205 1
1 281 . 4 2 1 A 26 26 ASN CA C 26 56.238 58.905 -2.667 1
1 282 . 4 2 1 A 26 26 ASN CB C 26 37.945 29.494 8.451 1
1 283 . 4 2 1 A 26 26 ASN N N 26 119.022 119.710 -0.688 1
1 285 . 4 2 1 A 27 27 GLU H H 27 8.179 8.427 -0.248 1
1 286 . 4 2 1 A 27 27 GLU HA H 27 4.436 3.865 0.571 1
1 291 . 4 2 1 A 27 27 GLU CA C 27 58.674 64.728 -6.054 1
1 292 . 4 2 1 A 27 27 GLU CB C 27 30.279 31.475 -1.196 1
1 294 . 4 2 1 A 27 27 GLU N N 27 124.075 119.490 4.585 1
1 295 . 4 2 1 A 28 28 VAL H H 28 8.731 8.122 0.609 1
1 296 . 4 2 1 A 28 28 VAL HA H 28 3.385 3.978 -0.593 1
1 304 . 4 2 1 A 28 28 VAL CA C 28 67.756 55.742 12.014 1
1 305 . 4 2 1 A 28 28 VAL CB C 28 31.732 18.285 13.447 1
1 308 . 4 2 1 A 28 28 VAL N N 28 120.425 123.566 -3.141 1
1 309 . 4 2 1 A 29 29 ALA H H 29 7.767 7.853 -0.086 1
1 310 . 4 2 1 A 29 29 ALA HA H 29 4.010 4.002 0.008 1
1 314 . 4 2 1 A 29 29 ALA CA C 29 55.524 59.265 -3.741 1
1 315 . 4 2 1 A 29 29 ALA CB C 29 18.122 29.925 -11.803 1
1 316 . 4 2 1 A 29 29 ALA N N 29 120.034 118.388 1.646 1
1 317 . 4 2 1 A 30 30 ARG H H 30 7.994 8.148 -0.154 1
1 318 . 4 2 1 A 30 30 ARG HA H 30 3.965 4.007 -0.042 1
1 325 . 4 2 1 A 30 30 ARG CA C 30 59.663 58.232 1.431 1
1 326 . 4 2 1 A 30 30 ARG CB C 30 30.860 41.758 -10.898 1
1 329 . 4 2 1 A 30 30 ARG N N 30 119.884 121.370 -1.486 1
1 330 . 4 2 1 A 31 31 LEU H H 31 8.516 8.613 -0.097 1
1 331 . 4 2 1 A 31 31 LEU HA H 31 3.964 4.071 -0.107 1
1 341 . 4 2 1 A 31 31 LEU CA C 31 58.141 58.872 -0.731 1
1 342 . 4 2 1 A 31 31 LEU CB C 31 44.129 31.609 12.520 1
1 346 . 4 2 1 A 31 31 LEU N N 31 120.609 117.696 2.913 1
1 347 . 4 2 1 A 32 32 LYS H H 32 9.048 7.736 1.312 1
1 348 . 4 2 1 A 32 32 LYS HA H 32 3.822 4.139 -0.317 1
1 357 . 4 2 1 A 32 32 LYS CA C 32 60.976 58.917 2.059 1
1 358 . 4 2 1 A 32 32 LYS CB C 32 32.591 31.803 0.788 1
1 362 . 4 2 1 A 32 32 LYS N N 32 118.822 119.756 -0.934 1
1 363 . 4 2 1 A 33 33 LYS H H 33 7.381 7.800 -0.419 1
1 364 . 4 2 1 A 33 33 LYS HA H 33 4.141 4.097 0.044 1
1 373 . 4 2 1 A 33 33 LYS CA C 33 58.987 57.882 1.105 1
1 374 . 4 2 1 A 33 33 LYS CB C 33 32.372 41.997 -9.625 1
1 378 . 4 2 1 A 33 33 LYS N N 33 117.698 120.707 -3.009 1
1 379 . 4 2 1 A 34 34 LEU H H 34 7.475 7.727 -0.252 1
1 380 . 4 2 1 A 34 34 LEU HA H 34 4.185 3.812 0.373 1
1 390 . 4 2 1 A 34 34 LEU CA C 34 57.475 65.788 -8.313 1
1 391 . 4 2 1 A 34 34 LEU CB C 34 42.687 32.213 10.474 1
1 395 . 4 2 1 A 34 34 LEU N N 34 118.971 118.324 0.647 1
1 396 . 4 2 1 A 35 35 VAL H H 35 7.794 8.280 -0.486 1
1 405 . 4 2 1 A 35 35 VAL CA C 35 62.990 47.164 15.826 1
1 409 . 4 2 1 A 35 35 VAL N N 35 113.834 109.020 4.814 1
1 410 . 4 2 1 A 36 36 GLY H H 36 7.873 7.745 0.128 1
1 413 . 4 2 1 A 36 36 GLY CA C 36 45.946 58.461 -12.515 1
1 414 . 4 2 1 A 36 36 GLY N N 36 109.267 116.549 -7.282 1
1 3 . 5 2 1 A 1 1 GLY CA C 1 43.523 51.077 -7.554 1
1 4 . 5 2 1 A 2 2 ALA H H 2 8.725 9.021 -0.296 1
1 9 . 5 2 1 A 2 2 ALA CA C 2 52.891 47.173 5.718 1
1 11 . 5 2 1 A 2 2 ALA N N 2 124.084 113.512 10.572 1
1 12 . 5 2 1 A 3 3 GLY H H 3 8.647 8.388 0.259 1
1 15 . 5 2 1 A 3 3 GLY CA C 3 45.438 62.419 -16.981 1
1 16 . 5 2 1 A 3 3 GLY N N 3 108.827 118.476 -9.649 1
1 17 . 5 2 1 A 4 4 SER H H 4 8.311 8.137 0.174 1
1 18 . 5 2 1 A 4 4 SER HA H 4 4.493 4.113 0.380 1
1 21 . 5 2 1 A 4 4 SER CA C 4 58.607 61.537 -2.930 1
1 22 . 5 2 1 A 4 4 SER CB C 4 63.715 62.930 0.785 1
1 23 . 5 2 1 A 4 4 SER N N 4 115.868 117.439 -1.571 1
1 24 . 5 2 1 A 5 5 SER H H 5 8.620 8.017 0.603 1
1 25 . 5 2 1 A 5 5 SER HA H 5 4.469 4.096 0.373 1
1 28 . 5 2 1 A 5 5 SER CA C 5 59.103 62.338 -3.235 1
1 29 . 5 2 1 A 5 5 SER CB C 5 63.474 62.962 0.512 1
1 30 . 5 2 1 A 5 5 SER N N 5 118.963 117.951 1.012 1
1 31 . 5 2 1 A 6 6 SER H H 6 8.490 8.448 0.042 1
1 32 . 5 2 1 A 6 6 SER HA H 6 4.388 3.951 0.437 1
1 35 . 5 2 1 A 6 6 SER CA C 6 59.989 58.021 1.968 1
1 36 . 5 2 1 A 6 6 SER CB C 6 63.455 41.292 22.163 1
1 37 . 5 2 1 A 6 6 SER N N 6 119.176 120.982 -1.806 1
1 38 . 5 2 1 A 7 7 LEU H H 7 8.281 7.757 0.524 1
1 39 . 5 2 1 A 7 7 LEU HA H 7 4.129 4.053 0.076 1
1 49 . 5 2 1 A 7 7 LEU CA C 7 57.627 59.476 -1.849 1
1 50 . 5 2 1 A 7 7 LEU CB C 7 41.789 28.341 13.448 1
1 54 . 5 2 1 A 7 7 LEU N N 7 123.537 118.531 5.006 1
1 55 . 5 2 1 A 8 8 GLU H H 8 8.192 8.295 -0.103 1
1 56 . 5 2 1 A 8 8 GLU HA H 8 4.028 4.091 -0.063 1
1 61 . 5 2 1 A 8 8 GLU CA C 8 59.357 55.100 4.257 1
1 62 . 5 2 1 A 8 8 GLU CB C 8 29.135 18.686 10.449 1
1 64 . 5 2 1 A 8 8 GLU N N 8 118.872 123.351 -4.479 1
1 65 . 5 2 1 A 9 9 ALA H H 9 7.973 8.070 -0.097 1
1 66 . 5 2 1 A 9 9 ALA HA H 9 4.090 3.391 0.699 1
1 70 . 5 2 1 A 9 9 ALA CA C 9 55.445 67.070 -11.625 1
1 71 . 5 2 1 A 9 9 ALA CB C 9 18.235 31.464 -13.229 1
1 72 . 5 2 1 A 9 9 ALA N N 9 121.399 118.033 3.366 1
1 73 . 5 2 1 A 10 10 VAL H H 10 7.889 8.128 -0.239 1
1 74 . 5 2 1 A 10 10 VAL HA H 10 3.731 3.933 -0.202 1
1 82 . 5 2 1 A 10 10 VAL CA C 10 66.289 59.910 6.379 1
1 83 . 5 2 1 A 10 10 VAL CB C 10 31.617 30.003 1.614 1
1 86 . 5 2 1 A 10 10 VAL N N 10 119.522 119.739 -0.217 1
1 87 . 5 2 1 A 11 11 ARG H H 11 8.299 8.312 -0.013 1
1 88 . 5 2 1 A 11 11 ARG HA H 11 3.844 4.075 -0.231 1
1 95 . 5 2 1 A 11 11 ARG CA C 11 60.565 59.064 1.501 1
1 96 . 5 2 1 A 11 11 ARG CB C 11 30.302 29.966 0.336 1
1 99 . 5 2 1 A 11 11 ARG N N 11 120.475 119.444 1.031 1
1 100 . 5 2 1 A 12 12 ARG H H 12 8.183 7.838 0.345 1
1 101 . 5 2 1 A 12 12 ARG HA H 12 3.998 4.056 -0.058 1
1 108 . 5 2 1 A 12 12 ARG CA C 12 59.526 59.421 0.105 1
1 109 . 5 2 1 A 12 12 ARG CB C 12 30.264 32.179 -1.915 1
1 112 . 5 2 1 A 12 12 ARG N N 12 118.440 119.251 -0.811 1
1 113 . 5 2 1 A 13 13 LYS H H 13 7.972 8.068 -0.096 1
1 114 . 5 2 1 A 13 13 LYS HA H 13 4.147 3.836 0.311 1
1 123 . 5 2 1 A 13 13 LYS CA C 13 59.104 63.544 -4.440 1
1 124 . 5 2 1 A 13 13 LYS CB C 13 32.697 37.183 -4.486 1
1 128 . 5 2 1 A 13 13 LYS N N 13 122.454 118.200 4.254 1
1 129 . 5 2 1 A 14 14 ILE H H 14 8.291 8.132 0.159 1
1 130 . 5 2 1 A 14 14 ILE HA H 14 3.526 3.907 -0.381 1
1 140 . 5 2 1 A 14 14 ILE CA C 14 66.269 59.753 6.516 1
1 141 . 5 2 1 A 14 14 ILE CB C 14 37.845 29.990 7.855 1
1 145 . 5 2 1 A 14 14 ILE N N 14 119.298 122.248 -2.950 1
1 146 . 5 2 1 A 15 15 ARG H H 15 8.047 7.904 0.143 1
1 147 . 5 2 1 A 15 15 ARG HA H 15 4.250 4.106 0.144 1
1 154 . 5 2 1 A 15 15 ARG CA C 15 59.244 63.428 -4.184 1
1 155 . 5 2 1 A 15 15 ARG CB C 15 29.793 62.901 -33.108 1
1 158 . 5 2 1 A 15 15 ARG N N 15 120.923 116.907 4.016 1
1 159 . 5 2 1 A 16 16 SER H H 16 8.374 8.441 -0.067 1
1 160 . 5 2 1 A 16 16 SER HA H 16 4.344 3.950 0.394 1
1 163 . 5 2 1 A 16 16 SER CA C 16 61.861 57.891 3.970 1
1 164 . 5 2 1 A 16 16 SER CB C 16 62.882 41.161 21.721 1
1 165 . 5 2 1 A 16 16 SER N N 16 114.520 121.346 -6.826 1
1 166 . 5 2 1 A 17 17 LEU H H 17 8.135 8.537 -0.402 1
1 167 . 5 2 1 A 17 17 LEU HA H 17 4.096 3.677 0.419 1
1 177 . 5 2 1 A 17 17 LEU CA C 17 58.197 58.989 -0.792 1
1 178 . 5 2 1 A 17 17 LEU CB C 17 43.647 28.406 15.241 1
1 182 . 5 2 1 A 17 17 LEU N N 17 122.938 118.024 4.914 1
1 183 . 5 2 1 A 18 18 GLN H H 18 8.649 8.400 0.249 1
1 184 . 5 2 1 A 18 18 GLN HA H 18 3.965 4.187 -0.222 1
1 191 . 5 2 1 A 18 18 GLN CA C 18 59.450 59.738 -0.288 1
1 192 . 5 2 1 A 18 18 GLN CB C 18 28.710 29.130 -0.420 1
1 194 . 5 2 1 A 18 18 GLN N N 18 119.456 120.164 -0.708 1
1 196 . 5 2 1 A 19 19 GLU H H 19 8.500 8.067 0.433 1
1 197 . 5 2 1 A 19 19 GLU HA H 19 4.120 4.043 0.077 1
1 202 . 5 2 1 A 19 19 GLU CA C 19 59.647 58.921 0.726 1
1 203 . 5 2 1 A 19 19 GLU CB C 19 29.625 28.271 1.354 1
1 205 . 5 2 1 A 19 19 GLU N N 19 120.612 118.883 1.729 1
1 206 . 5 2 1 A 20 20 GLN H H 20 8.424 8.340 0.084 1
1 207 . 5 2 1 A 20 20 GLN HA H 20 4.285 4.314 -0.029 1
1 214 . 5 2 1 A 20 20 GLN CA C 20 58.982 56.053 2.929 1
1 215 . 5 2 1 A 20 20 GLN CB C 20 28.787 38.349 -9.562 1
1 217 . 5 2 1 A 20 20 GLN N N 20 120.205 118.034 2.171 1
1 219 . 5 2 1 A 21 21 ASN H H 21 8.563 7.903 0.660 1
1 220 . 5 2 1 A 21 21 ASN HA H 21 4.383 4.223 0.160 1
1 225 . 5 2 1 A 21 21 ASN CA C 21 57.475 60.158 -2.683 1
1 226 . 5 2 1 A 21 21 ASN CB C 21 38.667 38.660 0.007 1
1 227 . 5 2 1 A 21 21 ASN N N 21 120.117 119.381 0.736 1
1 229 . 5 2 1 A 22 22 TYR H H 22 8.115 8.047 0.068 1
1 230 . 5 2 1 A 22 22 TYR HA H 22 4.394 4.267 0.127 1
1 237 . 5 2 1 A 22 22 TYR CA C 22 60.646 59.655 0.991 1
1 238 . 5 2 1 A 22 22 TYR CB C 22 37.993 29.883 8.110 1
1 239 . 5 2 1 A 22 22 TYR N N 22 120.082 119.933 0.149 1
1 240 . 5 2 1 A 23 23 HIS H H 23 8.025 8.715 -0.690 1
1 241 . 5 2 1 A 23 23 HIS HA H 23 4.402 3.814 0.588 1
1 245 . 5 2 1 A 23 23 HIS CA C 23 59.328 57.910 1.418 1
1 246 . 5 2 1 A 23 23 HIS CB C 23 29.518 41.048 -11.530 1
1 247 . 5 2 1 A 23 23 HIS N N 23 118.108 119.528 -1.420 1
1 248 . 5 2 1 A 24 24 LEU H H 24 8.751 8.421 0.330 1
1 249 . 5 2 1 A 24 24 LEU HA H 24 3.928 3.973 -0.045 1
1 259 . 5 2 1 A 24 24 LEU CA C 24 58.226 59.921 -1.695 1
1 260 . 5 2 1 A 24 24 LEU CB C 24 43.778 29.410 14.368 1
1 264 . 5 2 1 A 24 24 LEU N N 24 120.548 118.767 1.781 1
1 265 . 5 2 1 A 25 25 GLU H H 25 8.830 8.440 0.390 1
1 266 . 5 2 1 A 25 25 GLU HA H 25 3.926 4.440 -0.514 1
1 271 . 5 2 1 A 25 25 GLU CA C 25 60.114 55.121 4.993 1
1 272 . 5 2 1 A 25 25 GLU CB C 25 29.339 36.853 -7.514 1
1 274 . 5 2 1 A 25 25 GLU N N 25 119.875 117.565 2.310 1
1 275 . 5 2 1 A 26 26 ASN H H 26 7.774 7.948 -0.174 1
1 276 . 5 2 1 A 26 26 ASN HA H 26 4.435 3.979 0.456 1
1 281 . 5 2 1 A 26 26 ASN CA C 26 56.238 58.877 -2.639 1
1 282 . 5 2 1 A 26 26 ASN CB C 26 37.945 29.378 8.567 1
1 283 . 5 2 1 A 26 26 ASN N N 26 119.022 120.243 -1.221 1
1 285 . 5 2 1 A 27 27 GLU H H 27 8.179 8.075 0.104 1
1 286 . 5 2 1 A 27 27 GLU HA H 27 4.436 3.789 0.647 1
1 291 . 5 2 1 A 27 27 GLU CA C 27 58.674 64.981 -6.307 1
1 292 . 5 2 1 A 27 27 GLU CB C 27 30.279 31.264 -0.985 1
1 294 . 5 2 1 A 27 27 GLU N N 27 124.075 119.190 4.885 1
1 295 . 5 2 1 A 28 28 VAL H H 28 8.731 8.004 0.727 1
1 296 . 5 2 1 A 28 28 VAL HA H 28 3.385 3.948 -0.563 1
1 304 . 5 2 1 A 28 28 VAL CA C 28 67.756 55.663 12.093 1
1 305 . 5 2 1 A 28 28 VAL CB C 28 31.732 18.233 13.499 1
1 308 . 5 2 1 A 28 28 VAL N N 28 120.425 123.478 -3.053 1
1 309 . 5 2 1 A 29 29 ALA H H 29 7.767 8.109 -0.342 1
1 310 . 5 2 1 A 29 29 ALA HA H 29 4.010 3.995 0.015 1
1 314 . 5 2 1 A 29 29 ALA CA C 29 55.524 59.309 -3.785 1
1 315 . 5 2 1 A 29 29 ALA CB C 29 18.122 29.751 -11.629 1
1 316 . 5 2 1 A 29 29 ALA N N 29 120.034 118.432 1.602 1
1 317 . 5 2 1 A 30 30 ARG H H 30 7.994 8.135 -0.141 1
1 318 . 5 2 1 A 30 30 ARG HA H 30 3.965 3.934 0.031 1
1 325 . 5 2 1 A 30 30 ARG CA C 30 59.663 57.919 1.744 1
1 326 . 5 2 1 A 30 30 ARG CB C 30 30.860 41.518 -10.658 1
1 329 . 5 2 1 A 30 30 ARG N N 30 119.884 120.021 -0.137 1
1 330 . 5 2 1 A 31 31 LEU H H 31 8.516 8.547 -0.031 1
1 331 . 5 2 1 A 31 31 LEU HA H 31 3.964 4.080 -0.116 1
1 341 . 5 2 1 A 31 31 LEU CA C 31 58.141 58.724 -0.583 1
1 342 . 5 2 1 A 31 31 LEU CB C 31 44.129 31.578 12.551 1
1 346 . 5 2 1 A 31 31 LEU N N 31 120.609 118.715 1.894 1
1 347 . 5 2 1 A 32 32 LYS H H 32 9.048 7.678 1.370 1
1 348 . 5 2 1 A 32 32 LYS HA H 32 3.822 4.155 -0.333 1
1 357 . 5 2 1 A 32 32 LYS CA C 32 60.976 58.800 2.176 1
1 358 . 5 2 1 A 32 32 LYS CB C 32 32.591 31.668 0.923 1
1 362 . 5 2 1 A 32 32 LYS N N 32 118.822 119.860 -1.038 1
1 363 . 5 2 1 A 33 33 LYS H H 33 7.381 7.791 -0.410 1
1 364 . 5 2 1 A 33 33 LYS HA H 33 4.141 4.036 0.105 1
1 373 . 5 2 1 A 33 33 LYS CA C 33 58.987 57.908 1.079 1
1 374 . 5 2 1 A 33 33 LYS CB C 33 32.372 41.814 -9.442 1
1 378 . 5 2 1 A 33 33 LYS N N 33 117.698 120.820 -3.122 1
1 379 . 5 2 1 A 34 34 LEU H H 34 7.475 8.217 -0.742 1
1 380 . 5 2 1 A 34 34 LEU HA H 34 4.185 3.818 0.367 1
1 390 . 5 2 1 A 34 34 LEU CA C 34 57.475 65.552 -8.077 1
1 391 . 5 2 1 A 34 34 LEU CB C 34 42.687 31.432 11.255 1
1 395 . 5 2 1 A 34 34 LEU N N 34 118.971 118.447 0.524 1
1 396 . 5 2 1 A 35 35 VAL H H 35 7.794 7.950 -0.156 1
1 405 . 5 2 1 A 35 35 VAL CA C 35 62.990 46.413 16.577 1
1 409 . 5 2 1 A 35 35 VAL N N 35 113.834 109.021 4.813 1
1 410 . 5 2 1 A 36 36 GLY H H 36 7.873 7.961 -0.088 1
1 413 . 5 2 1 A 36 36 GLY CA C 36 45.946 58.508 -12.562 1
1 414 . 5 2 1 A 36 36 GLY N N 36 109.267 116.947 -7.680 1
1 3 . 6 2 1 A 1 1 GLY CA C 1 43.523 51.082 -7.559 1
1 4 . 6 2 1 A 2 2 ALA H H 2 8.725 8.293 0.432 1
1 9 . 6 2 1 A 2 2 ALA CA C 2 52.891 45.481 7.410 1
1 11 . 6 2 1 A 2 2 ALA N N 2 124.084 105.779 18.305 1
1 12 . 6 2 1 A 3 3 GLY H H 3 8.647 8.775 -0.128 1
1 15 . 6 2 1 A 3 3 GLY CA C 3 45.438 59.334 -13.896 1
1 16 . 6 2 1 A 3 3 GLY N N 3 108.827 120.840 -12.013 1
1 17 . 6 2 1 A 4 4 SER H H 4 8.311 8.036 0.275 1
1 18 . 6 2 1 A 4 4 SER HA H 4 4.493 4.052 0.441 1
1 21 . 6 2 1 A 4 4 SER CA C 4 58.607 61.743 -3.136 1
1 22 . 6 2 1 A 4 4 SER CB C 4 63.715 63.103 0.612 1
1 23 . 6 2 1 A 4 4 SER N N 4 115.868 118.814 -2.946 1
1 24 . 6 2 1 A 5 5 SER H H 5 8.620 8.046 0.574 1
1 25 . 6 2 1 A 5 5 SER HA H 5 4.469 4.112 0.357 1
1 28 . 6 2 1 A 5 5 SER CA C 5 59.103 61.737 -2.634 1
1 29 . 6 2 1 A 5 5 SER CB C 5 63.474 63.326 0.148 1
1 30 . 6 2 1 A 5 5 SER N N 5 118.963 115.378 3.585 1
1 31 . 6 2 1 A 6 6 SER H H 6 8.490 7.996 0.494 1
1 32 . 6 2 1 A 6 6 SER HA H 6 4.388 4.057 0.331 1
1 35 . 6 2 1 A 6 6 SER CA C 6 59.989 58.023 1.966 1
1 36 . 6 2 1 A 6 6 SER CB C 6 63.455 41.810 21.645 1
1 37 . 6 2 1 A 6 6 SER N N 6 119.176 122.310 -3.134 1
1 38 . 6 2 1 A 7 7 LEU H H 7 8.281 8.674 -0.393 1
1 39 . 6 2 1 A 7 7 LEU HA H 7 4.129 3.983 0.146 1
1 49 . 6 2 1 A 7 7 LEU CA C 7 57.627 59.686 -2.059 1
1 50 . 6 2 1 A 7 7 LEU CB C 7 41.789 29.250 12.539 1
1 54 . 6 2 1 A 7 7 LEU N N 7 123.537 119.030 4.507 1
1 55 . 6 2 1 A 8 8 GLU H H 8 8.192 8.147 0.045 1
1 56 . 6 2 1 A 8 8 GLU HA H 8 4.028 4.097 -0.069 1
1 61 . 6 2 1 A 8 8 GLU CA C 8 59.357 55.097 4.260 1
1 62 . 6 2 1 A 8 8 GLU CB C 8 29.135 18.552 10.583 1
1 64 . 6 2 1 A 8 8 GLU N N 8 118.872 122.176 -3.304 1
1 65 . 6 2 1 A 9 9 ALA H H 9 7.973 8.009 -0.036 1
1 66 . 6 2 1 A 9 9 ALA HA H 9 4.090 3.824 0.266 1
1 70 . 6 2 1 A 9 9 ALA CA C 9 55.445 64.707 -9.262 1
1 71 . 6 2 1 A 9 9 ALA CB C 9 18.235 31.277 -13.042 1
1 72 . 6 2 1 A 9 9 ALA N N 9 121.399 117.069 4.330 1
1 73 . 6 2 1 A 10 10 VAL H H 10 7.889 8.014 -0.125 1
1 74 . 6 2 1 A 10 10 VAL HA H 10 3.731 3.973 -0.242 1
1 82 . 6 2 1 A 10 10 VAL CA C 10 66.289 59.922 6.367 1
1 83 . 6 2 1 A 10 10 VAL CB C 10 31.617 30.021 1.596 1
1 86 . 6 2 1 A 10 10 VAL N N 10 119.522 121.385 -1.863 1
1 87 . 6 2 1 A 11 11 ARG H H 11 8.299 8.315 -0.016 1
1 88 . 6 2 1 A 11 11 ARG HA H 11 3.844 4.066 -0.222 1
1 95 . 6 2 1 A 11 11 ARG CA C 11 60.565 58.648 1.917 1
1 96 . 6 2 1 A 11 11 ARG CB C 11 30.302 29.473 0.829 1
1 99 . 6 2 1 A 11 11 ARG N N 11 120.475 118.157 2.318 1
1 100 . 6 2 1 A 12 12 ARG H H 12 8.183 7.931 0.252 1
1 101 . 6 2 1 A 12 12 ARG HA H 12 3.998 4.082 -0.084 1
1 108 . 6 2 1 A 12 12 ARG CA C 12 59.526 59.331 0.195 1
1 109 . 6 2 1 A 12 12 ARG CB C 12 30.264 32.371 -2.107 1
1 112 . 6 2 1 A 12 12 ARG N N 12 118.440 119.424 -0.984 1
1 113 . 6 2 1 A 13 13 LYS H H 13 7.972 7.625 0.347 1
1 114 . 6 2 1 A 13 13 LYS HA H 13 4.147 3.888 0.259 1
1 123 . 6 2 1 A 13 13 LYS CA C 13 59.104 63.221 -4.117 1
1 124 . 6 2 1 A 13 13 LYS CB C 13 32.697 36.942 -4.245 1
1 128 . 6 2 1 A 13 13 LYS N N 13 122.454 117.539 4.915 1
1 129 . 6 2 1 A 14 14 ILE H H 14 8.291 8.243 0.048 1
1 130 . 6 2 1 A 14 14 ILE HA H 14 3.526 4.019 -0.493 1
1 140 . 6 2 1 A 14 14 ILE CA C 14 66.269 59.904 6.365 1
1 141 . 6 2 1 A 14 14 ILE CB C 14 37.845 30.020 7.825 1
1 145 . 6 2 1 A 14 14 ILE N N 14 119.298 121.757 -2.459 1
1 146 . 6 2 1 A 15 15 ARG H H 15 8.047 8.185 -0.138 1
1 147 . 6 2 1 A 15 15 ARG HA H 15 4.250 4.125 0.125 1
1 154 . 6 2 1 A 15 15 ARG CA C 15 59.244 63.084 -3.840 1
1 155 . 6 2 1 A 15 15 ARG CB C 15 29.793 62.976 -33.183 1
1 158 . 6 2 1 A 15 15 ARG N N 15 120.923 117.036 3.887 1
1 159 . 6 2 1 A 16 16 SER H H 16 8.374 8.345 0.029 1
1 160 . 6 2 1 A 16 16 SER HA H 16 4.344 3.903 0.441 1
1 163 . 6 2 1 A 16 16 SER CA C 16 61.861 58.141 3.720 1
1 164 . 6 2 1 A 16 16 SER CB C 16 62.882 41.468 21.414 1
1 165 . 6 2 1 A 16 16 SER N N 16 114.520 121.276 -6.756 1
1 166 . 6 2 1 A 17 17 LEU H H 17 8.135 8.331 -0.196 1
1 167 . 6 2 1 A 17 17 LEU HA H 17 4.096 4.002 0.094 1
1 177 . 6 2 1 A 17 17 LEU CA C 17 58.197 59.277 -1.080 1
1 178 . 6 2 1 A 17 17 LEU CB C 17 43.647 28.593 15.054 1
1 182 . 6 2 1 A 17 17 LEU N N 17 122.938 117.811 5.127 1
1 183 . 6 2 1 A 18 18 GLN H H 18 8.649 8.124 0.525 1
1 184 . 6 2 1 A 18 18 GLN HA H 18 3.965 4.116 -0.151 1
1 191 . 6 2 1 A 18 18 GLN CA C 18 59.450 59.706 -0.256 1
1 192 . 6 2 1 A 18 18 GLN CB C 18 28.710 29.215 -0.505 1
1 194 . 6 2 1 A 18 18 GLN N N 18 119.456 120.413 -0.957 1
1 196 . 6 2 1 A 19 19 GLU H H 19 8.500 8.136 0.364 1
1 197 . 6 2 1 A 19 19 GLU HA H 19 4.120 4.077 0.043 1
1 202 . 6 2 1 A 19 19 GLU CA C 19 59.647 58.927 0.720 1
1 203 . 6 2 1 A 19 19 GLU CB C 19 29.625 28.349 1.276 1
1 205 . 6 2 1 A 19 19 GLU N N 19 120.612 119.208 1.404 1
1 206 . 6 2 1 A 20 20 GLN H H 20 8.424 8.544 -0.120 1
1 207 . 6 2 1 A 20 20 GLN HA H 20 4.285 4.465 -0.180 1
1 214 . 6 2 1 A 20 20 GLN CA C 20 58.982 56.140 2.842 1
1 215 . 6 2 1 A 20 20 GLN CB C 20 28.787 38.528 -9.741 1
1 217 . 6 2 1 A 20 20 GLN N N 20 120.205 118.422 1.783 1
1 219 . 6 2 1 A 21 21 ASN H H 21 8.563 8.097 0.466 1
1 220 . 6 2 1 A 21 21 ASN HA H 21 4.383 4.233 0.150 1
1 225 . 6 2 1 A 21 21 ASN CA C 21 57.475 61.464 -3.989 1
1 226 . 6 2 1 A 21 21 ASN CB C 21 38.667 38.411 0.256 1
1 227 . 6 2 1 A 21 21 ASN N N 21 120.117 121.851 -1.734 1
1 229 . 6 2 1 A 22 22 TYR H H 22 8.115 8.307 -0.192 1
1 230 . 6 2 1 A 22 22 TYR HA H 22 4.394 4.243 0.151 1
1 237 . 6 2 1 A 22 22 TYR CA C 22 60.646 59.688 0.958 1
1 238 . 6 2 1 A 22 22 TYR CB C 22 37.993 30.261 7.732 1
1 239 . 6 2 1 A 22 22 TYR N N 22 120.082 119.223 0.859 1
1 240 . 6 2 1 A 23 23 HIS H H 23 8.025 8.703 -0.678 1
1 241 . 6 2 1 A 23 23 HIS HA H 23 4.402 3.861 0.541 1
1 245 . 6 2 1 A 23 23 HIS CA C 23 59.328 57.834 1.494 1
1 246 . 6 2 1 A 23 23 HIS CB C 23 29.518 41.168 -11.650 1
1 247 . 6 2 1 A 23 23 HIS N N 23 118.108 119.339 -1.231 1
1 248 . 6 2 1 A 24 24 LEU H H 24 8.751 8.607 0.144 1
1 249 . 6 2 1 A 24 24 LEU HA H 24 3.928 3.839 0.089 1
1 259 . 6 2 1 A 24 24 LEU CA C 24 58.226 59.928 -1.702 1
1 260 . 6 2 1 A 24 24 LEU CB C 24 43.778 29.142 14.636 1
1 264 . 6 2 1 A 24 24 LEU N N 24 120.548 120.466 0.082 1
1 265 . 6 2 1 A 25 25 GLU H H 25 8.830 7.925 0.905 1
1 266 . 6 2 1 A 25 25 GLU HA H 25 3.926 4.313 -0.387 1
1 271 . 6 2 1 A 25 25 GLU CA C 25 60.114 56.544 3.570 1
1 272 . 6 2 1 A 25 25 GLU CB C 25 29.339 38.495 -9.156 1
1 274 . 6 2 1 A 25 25 GLU N N 25 119.875 118.382 1.493 1
1 275 . 6 2 1 A 26 26 ASN H H 26 7.774 7.896 -0.122 1
1 276 . 6 2 1 A 26 26 ASN HA H 26 4.435 4.067 0.368 1
1 281 . 6 2 1 A 26 26 ASN CA C 26 56.238 58.665 -2.427 1
1 282 . 6 2 1 A 26 26 ASN CB C 26 37.945 29.835 8.110 1
1 283 . 6 2 1 A 26 26 ASN N N 26 119.022 119.663 -0.641 1
1 285 . 6 2 1 A 27 27 GLU H H 27 8.179 8.685 -0.506 1
1 286 . 6 2 1 A 27 27 GLU HA H 27 4.436 3.603 0.833 1
1 291 . 6 2 1 A 27 27 GLU CA C 27 58.674 66.387 -7.713 1
1 292 . 6 2 1 A 27 27 GLU CB C 27 30.279 31.536 -1.257 1
1 294 . 6 2 1 A 27 27 GLU N N 27 124.075 119.857 4.218 1
1 295 . 6 2 1 A 28 28 VAL H H 28 8.731 8.210 0.521 1
1 296 . 6 2 1 A 28 28 VAL HA H 28 3.385 3.879 -0.494 1
1 304 . 6 2 1 A 28 28 VAL CA C 28 67.756 55.235 12.521 1
1 305 . 6 2 1 A 28 28 VAL CB C 28 31.732 18.066 13.666 1
1 308 . 6 2 1 A 28 28 VAL N N 28 120.425 121.874 -1.449 1
1 309 . 6 2 1 A 29 29 ALA H H 29 7.767 7.842 -0.075 1
1 310 . 6 2 1 A 29 29 ALA HA H 29 4.010 4.059 -0.049 1
1 314 . 6 2 1 A 29 29 ALA CA C 29 55.524 58.878 -3.354 1
1 315 . 6 2 1 A 29 29 ALA CB C 29 18.122 29.834 -11.712 1
1 316 . 6 2 1 A 29 29 ALA N N 29 120.034 118.474 1.560 1
1 317 . 6 2 1 A 30 30 ARG H H 30 7.994 8.165 -0.171 1
1 318 . 6 2 1 A 30 30 ARG HA H 30 3.965 3.992 -0.027 1
1 325 . 6 2 1 A 30 30 ARG CA C 30 59.663 58.138 1.525 1
1 326 . 6 2 1 A 30 30 ARG CB C 30 30.860 41.883 -11.023 1
1 329 . 6 2 1 A 30 30 ARG N N 30 119.884 121.373 -1.489 1
1 330 . 6 2 1 A 31 31 LEU H H 31 8.516 8.376 0.140 1
1 331 . 6 2 1 A 31 31 LEU HA H 31 3.964 3.999 -0.035 1
1 341 . 6 2 1 A 31 31 LEU CA C 31 58.141 59.025 -0.884 1
1 342 . 6 2 1 A 31 31 LEU CB C 31 44.129 31.816 12.313 1
1 346 . 6 2 1 A 31 31 LEU N N 31 120.609 117.769 2.840 1
1 347 . 6 2 1 A 32 32 LYS H H 32 9.048 7.643 1.405 1
1 348 . 6 2 1 A 32 32 LYS HA H 32 3.822 4.176 -0.354 1
1 357 . 6 2 1 A 32 32 LYS CA C 32 60.976 59.306 1.670 1
1 358 . 6 2 1 A 32 32 LYS CB C 32 32.591 32.232 0.359 1
1 362 . 6 2 1 A 32 32 LYS N N 32 118.822 119.597 -0.775 1
1 363 . 6 2 1 A 33 33 LYS H H 33 7.381 8.051 -0.670 1
1 364 . 6 2 1 A 33 33 LYS HA H 33 4.141 4.007 0.134 1
1 373 . 6 2 1 A 33 33 LYS CA C 33 58.987 58.344 0.643 1
1 374 . 6 2 1 A 33 33 LYS CB C 33 32.372 41.424 -9.052 1
1 378 . 6 2 1 A 33 33 LYS N N 33 117.698 121.147 -3.449 1
1 379 . 6 2 1 A 34 34 LEU H H 34 7.475 8.094 -0.619 1
1 380 . 6 2 1 A 34 34 LEU HA H 34 4.185 3.780 0.405 1
1 390 . 6 2 1 A 34 34 LEU CA C 34 57.475 65.651 -8.176 1
1 391 . 6 2 1 A 34 34 LEU CB C 34 42.687 31.281 11.406 1
1 395 . 6 2 1 A 34 34 LEU N N 34 118.971 118.122 0.849 1
1 396 . 6 2 1 A 35 35 VAL H H 35 7.794 8.201 -0.407 1
1 405 . 6 2 1 A 35 35 VAL CA C 35 62.990 46.550 16.440 1
1 409 . 6 2 1 A 35 35 VAL N N 35 113.834 108.478 5.356 1
1 410 . 6 2 1 A 36 36 GLY H H 36 7.873 7.796 0.077 1
1 413 . 6 2 1 A 36 36 GLY CA C 36 45.946 56.186 -10.240 1
1 414 . 6 2 1 A 36 36 GLY N N 36 109.267 118.098 -8.831 1
1 3 . 7 2 1 A 1 1 GLY CA C 1 43.523 51.226 -7.703 1
1 4 . 7 2 1 A 2 2 ALA H H 2 8.725 7.234 1.491 1
1 9 . 7 2 1 A 2 2 ALA CA C 2 52.891 45.580 7.311 1
1 11 . 7 2 1 A 2 2 ALA N N 2 124.084 107.304 16.780 1
1 12 . 7 2 1 A 3 3 GLY H H 3 8.647 9.200 -0.553 1
1 15 . 7 2 1 A 3 3 GLY CA C 3 45.438 62.208 -16.770 1
1 16 . 7 2 1 A 3 3 GLY N N 3 108.827 118.808 -9.981 1
1 17 . 7 2 1 A 4 4 SER H H 4 8.311 8.060 0.251 1
1 18 . 7 2 1 A 4 4 SER HA H 4 4.493 4.107 0.386 1
1 21 . 7 2 1 A 4 4 SER CA C 4 58.607 61.540 -2.933 1
1 22 . 7 2 1 A 4 4 SER CB C 4 63.715 62.719 0.996 1
1 23 . 7 2 1 A 4 4 SER N N 4 115.868 119.006 -3.138 1
1 24 . 7 2 1 A 5 5 SER H H 5 8.620 7.925 0.695 1
1 25 . 7 2 1 A 5 5 SER HA H 5 4.469 4.105 0.364 1
1 28 . 7 2 1 A 5 5 SER CA C 5 59.103 62.184 -3.081 1
1 29 . 7 2 1 A 5 5 SER CB C 5 63.474 62.797 0.677 1
1 30 . 7 2 1 A 5 5 SER N N 5 118.963 118.079 0.884 1
1 31 . 7 2 1 A 6 6 SER H H 6 8.490 7.906 0.584 1
1 32 . 7 2 1 A 6 6 SER HA H 6 4.388 4.069 0.319 1
1 35 . 7 2 1 A 6 6 SER CA C 6 59.989 57.943 2.046 1
1 36 . 7 2 1 A 6 6 SER CB C 6 63.455 41.815 21.640 1
1 37 . 7 2 1 A 6 6 SER N N 6 119.176 122.650 -3.474 1
1 38 . 7 2 1 A 7 7 LEU H H 7 8.281 8.506 -0.225 1
1 39 . 7 2 1 A 7 7 LEU HA H 7 4.129 4.022 0.107 1
1 49 . 7 2 1 A 7 7 LEU CA C 7 57.627 59.226 -1.599 1
1 50 . 7 2 1 A 7 7 LEU CB C 7 41.789 28.852 12.937 1
1 54 . 7 2 1 A 7 7 LEU N N 7 123.537 117.408 6.129 1
1 55 . 7 2 1 A 8 8 GLU H H 8 8.192 7.812 0.380 1
1 56 . 7 2 1 A 8 8 GLU HA H 8 4.028 4.079 -0.051 1
1 61 . 7 2 1 A 8 8 GLU CA C 8 59.357 55.029 4.328 1
1 62 . 7 2 1 A 8 8 GLU CB C 8 29.135 18.545 10.590 1
1 64 . 7 2 1 A 8 8 GLU N N 8 118.872 122.905 -4.033 1
1 65 . 7 2 1 A 9 9 ALA H H 9 7.973 8.077 -0.104 1
1 66 . 7 2 1 A 9 9 ALA HA H 9 4.090 3.345 0.745 1
1 70 . 7 2 1 A 9 9 ALA CA C 9 55.445 67.014 -11.569 1
1 71 . 7 2 1 A 9 9 ALA CB C 9 18.235 31.439 -13.204 1
1 72 . 7 2 1 A 9 9 ALA N N 9 121.399 118.002 3.397 1
1 73 . 7 2 1 A 10 10 VAL H H 10 7.889 8.226 -0.337 1
1 74 . 7 2 1 A 10 10 VAL HA H 10 3.731 3.932 -0.201 1
1 82 . 7 2 1 A 10 10 VAL CA C 10 66.289 59.919 6.370 1
1 83 . 7 2 1 A 10 10 VAL CB C 10 31.617 29.927 1.690 1
1 86 . 7 2 1 A 10 10 VAL N N 10 119.522 119.718 -0.196 1
1 87 . 7 2 1 A 11 11 ARG H H 11 8.299 7.769 0.530 1
1 88 . 7 2 1 A 11 11 ARG HA H 11 3.844 3.988 -0.144 1
1 95 . 7 2 1 A 11 11 ARG CA C 11 60.565 59.242 1.323 1
1 96 . 7 2 1 A 11 11 ARG CB C 11 30.302 29.922 0.380 1
1 99 . 7 2 1 A 11 11 ARG N N 11 120.475 119.522 0.953 1
1 100 . 7 2 1 A 12 12 ARG H H 12 8.183 7.758 0.425 1
1 101 . 7 2 1 A 12 12 ARG HA H 12 3.998 4.067 -0.069 1
1 108 . 7 2 1 A 12 12 ARG CA C 12 59.526 59.476 0.050 1
1 109 . 7 2 1 A 12 12 ARG CB C 12 30.264 32.344 -2.080 1
1 112 . 7 2 1 A 12 12 ARG N N 12 118.440 118.974 -0.534 1
1 113 . 7 2 1 A 13 13 LYS H H 13 7.972 8.129 -0.157 1
1 114 . 7 2 1 A 13 13 LYS HA H 13 4.147 3.822 0.325 1
1 123 . 7 2 1 A 13 13 LYS CA C 13 59.104 63.998 -4.894 1
1 124 . 7 2 1 A 13 13 LYS CB C 13 32.697 37.373 -4.676 1
1 128 . 7 2 1 A 13 13 LYS N N 13 122.454 118.150 4.304 1
1 129 . 7 2 1 A 14 14 ILE H H 14 8.291 7.852 0.439 1
1 130 . 7 2 1 A 14 14 ILE HA H 14 3.526 3.976 -0.450 1
1 140 . 7 2 1 A 14 14 ILE CA C 14 66.269 59.515 6.754 1
1 141 . 7 2 1 A 14 14 ILE CB C 14 37.845 29.864 7.981 1
1 145 . 7 2 1 A 14 14 ILE N N 14 119.298 122.221 -2.923 1
1 146 . 7 2 1 A 15 15 ARG H H 15 8.047 7.893 0.154 1
1 147 . 7 2 1 A 15 15 ARG HA H 15 4.250 4.229 0.021 1
1 154 . 7 2 1 A 15 15 ARG CA C 15 59.244 61.029 -1.785 1
1 155 . 7 2 1 A 15 15 ARG CB C 15 29.793 62.900 -33.107 1
1 158 . 7 2 1 A 15 15 ARG N N 15 120.923 114.312 6.611 1
1 159 . 7 2 1 A 16 16 SER H H 16 8.374 8.158 0.216 1
1 160 . 7 2 1 A 16 16 SER HA H 16 4.344 3.991 0.353 1
1 163 . 7 2 1 A 16 16 SER CA C 16 61.861 57.912 3.949 1
1 164 . 7 2 1 A 16 16 SER CB C 16 62.882 41.205 21.677 1
1 165 . 7 2 1 A 16 16 SER N N 16 114.520 122.161 -7.641 1
1 166 . 7 2 1 A 17 17 LEU H H 17 8.135 8.224 -0.089 1
1 167 . 7 2 1 A 17 17 LEU HA H 17 4.096 3.874 0.222 1
1 177 . 7 2 1 A 17 17 LEU CA C 17 58.197 59.011 -0.814 1
1 178 . 7 2 1 A 17 17 LEU CB C 17 43.647 28.310 15.337 1
1 182 . 7 2 1 A 17 17 LEU N N 17 122.938 118.153 4.785 1
1 183 . 7 2 1 A 18 18 GLN H H 18 8.649 8.160 0.489 1
1 184 . 7 2 1 A 18 18 GLN HA H 18 3.965 3.974 -0.009 1
1 191 . 7 2 1 A 18 18 GLN CA C 18 59.450 59.458 -0.008 1
1 192 . 7 2 1 A 18 18 GLN CB C 18 28.710 29.124 -0.414 1
1 194 . 7 2 1 A 18 18 GLN N N 18 119.456 120.348 -0.892 1
1 196 . 7 2 1 A 19 19 GLU H H 19 8.500 8.392 0.108 1
1 197 . 7 2 1 A 19 19 GLU HA H 19 4.120 4.057 0.063 1
1 202 . 7 2 1 A 19 19 GLU CA C 19 59.647 58.980 0.667 1
1 203 . 7 2 1 A 19 19 GLU CB C 19 29.625 28.256 1.369 1
1 205 . 7 2 1 A 19 19 GLU N N 19 120.612 119.015 1.597 1
1 206 . 7 2 1 A 20 20 GLN H H 20 8.424 8.442 -0.018 1
1 207 . 7 2 1 A 20 20 GLN HA H 20 4.285 4.506 -0.221 1
1 214 . 7 2 1 A 20 20 GLN CA C 20 58.982 56.097 2.885 1
1 215 . 7 2 1 A 20 20 GLN CB C 20 28.787 38.515 -9.728 1
1 217 . 7 2 1 A 20 20 GLN N N 20 120.205 118.500 1.705 1
1 219 . 7 2 1 A 21 21 ASN H H 21 8.563 8.349 0.214 1
1 220 . 7 2 1 A 21 21 ASN HA H 21 4.383 4.286 0.097 1
1 225 . 7 2 1 A 21 21 ASN CA C 21 57.475 60.187 -2.712 1
1 226 . 7 2 1 A 21 21 ASN CB C 21 38.667 37.480 1.187 1
1 227 . 7 2 1 A 21 21 ASN N N 21 120.117 118.583 1.534 1
1 229 . 7 2 1 A 22 22 TYR H H 22 8.115 8.585 -0.470 1
1 230 . 7 2 1 A 22 22 TYR HA H 22 4.394 4.307 0.087 1
1 237 . 7 2 1 A 22 22 TYR CA C 22 60.646 59.768 0.878 1
1 238 . 7 2 1 A 22 22 TYR CB C 22 37.993 30.221 7.772 1
1 239 . 7 2 1 A 22 22 TYR N N 22 120.082 120.077 0.005 1
1 240 . 7 2 1 A 23 23 HIS H H 23 8.025 8.809 -0.784 1
1 241 . 7 2 1 A 23 23 HIS HA H 23 4.402 3.896 0.506 1
1 245 . 7 2 1 A 23 23 HIS CA C 23 59.328 57.984 1.344 1
1 246 . 7 2 1 A 23 23 HIS CB C 23 29.518 41.426 -11.908 1
1 247 . 7 2 1 A 23 23 HIS N N 23 118.108 119.526 -1.418 1
1 248 . 7 2 1 A 24 24 LEU H H 24 8.751 8.773 -0.022 1
1 249 . 7 2 1 A 24 24 LEU HA H 24 3.928 3.974 -0.046 1
1 259 . 7 2 1 A 24 24 LEU CA C 24 58.226 59.653 -1.427 1
1 260 . 7 2 1 A 24 24 LEU CB C 24 43.778 29.163 14.615 1
1 264 . 7 2 1 A 24 24 LEU N N 24 120.548 117.966 2.582 1
1 265 . 7 2 1 A 25 25 GLU H H 25 8.830 8.299 0.531 1
1 266 . 7 2 1 A 25 25 GLU HA H 25 3.926 4.526 -0.600 1
1 271 . 7 2 1 A 25 25 GLU CA C 25 60.114 55.873 4.241 1
1 272 . 7 2 1 A 25 25 GLU CB C 25 29.339 37.819 -8.480 1
1 274 . 7 2 1 A 25 25 GLU N N 25 119.875 118.779 1.096 1
1 275 . 7 2 1 A 26 26 ASN H H 26 7.774 8.028 -0.254 1
1 276 . 7 2 1 A 26 26 ASN HA H 26 4.435 4.090 0.345 1
1 281 . 7 2 1 A 26 26 ASN CA C 26 56.238 58.716 -2.478 1
1 282 . 7 2 1 A 26 26 ASN CB C 26 37.945 29.770 8.175 1
1 283 . 7 2 1 A 26 26 ASN N N 26 119.022 119.815 -0.793 1
1 285 . 7 2 1 A 27 27 GLU H H 27 8.179 8.651 -0.472 1
1 286 . 7 2 1 A 27 27 GLU HA H 27 4.436 3.847 0.589 1
1 291 . 7 2 1 A 27 27 GLU CA C 27 58.674 64.880 -6.206 1
1 292 . 7 2 1 A 27 27 GLU CB C 27 30.279 31.431 -1.152 1
1 294 . 7 2 1 A 27 27 GLU N N 27 124.075 118.885 5.190 1
1 295 . 7 2 1 A 28 28 VAL H H 28 8.731 8.038 0.693 1
1 296 . 7 2 1 A 28 28 VAL HA H 28 3.385 3.957 -0.572 1
1 304 . 7 2 1 A 28 28 VAL CA C 28 67.756 55.673 12.083 1
1 305 . 7 2 1 A 28 28 VAL CB C 28 31.732 17.999 13.733 1
1 308 . 7 2 1 A 28 28 VAL N N 28 120.425 123.536 -3.111 1
1 309 . 7 2 1 A 29 29 ALA H H 29 7.767 7.883 -0.116 1
1 310 . 7 2 1 A 29 29 ALA HA H 29 4.010 4.025 -0.015 1
1 314 . 7 2 1 A 29 29 ALA CA C 29 55.524 59.035 -3.511 1
1 315 . 7 2 1 A 29 29 ALA CB C 29 18.122 29.996 -11.874 1
1 316 . 7 2 1 A 29 29 ALA N N 29 120.034 118.981 1.053 1
1 317 . 7 2 1 A 30 30 ARG H H 30 7.994 8.332 -0.338 1
1 318 . 7 2 1 A 30 30 ARG HA H 30 3.965 4.010 -0.045 1
1 325 . 7 2 1 A 30 30 ARG CA C 30 59.663 58.045 1.618 1
1 326 . 7 2 1 A 30 30 ARG CB C 30 30.860 41.918 -11.058 1
1 329 . 7 2 1 A 30 30 ARG N N 30 119.884 121.323 -1.439 1
1 330 . 7 2 1 A 31 31 LEU H H 31 8.516 8.666 -0.150 1
1 331 . 7 2 1 A 31 31 LEU HA H 31 3.964 4.035 -0.071 1
1 341 . 7 2 1 A 31 31 LEU CA C 31 58.141 59.119 -0.978 1
1 342 . 7 2 1 A 31 31 LEU CB C 31 44.129 31.900 12.229 1
1 346 . 7 2 1 A 31 31 LEU N N 31 120.609 117.637 2.972 1
1 347 . 7 2 1 A 32 32 LYS H H 32 9.048 7.736 1.312 1
1 348 . 7 2 1 A 32 32 LYS HA H 32 3.822 4.186 -0.364 1
1 357 . 7 2 1 A 32 32 LYS CA C 32 60.976 58.850 2.126 1
1 358 . 7 2 1 A 32 32 LYS CB C 32 32.591 31.857 0.734 1
1 362 . 7 2 1 A 32 32 LYS N N 32 118.822 119.548 -0.726 1
1 363 . 7 2 1 A 33 33 LYS H H 33 7.381 7.607 -0.226 1
1 364 . 7 2 1 A 33 33 LYS HA H 33 4.141 4.220 -0.079 1
1 373 . 7 2 1 A 33 33 LYS CA C 33 58.987 57.815 1.172 1
1 374 . 7 2 1 A 33 33 LYS CB C 33 32.372 42.004 -9.632 1
1 378 . 7 2 1 A 33 33 LYS N N 33 117.698 120.744 -3.046 1
1 379 . 7 2 1 A 34 34 LEU H H 34 7.475 8.402 -0.927 1
1 380 . 7 2 1 A 34 34 LEU HA H 34 4.185 3.744 0.441 1
1 390 . 7 2 1 A 34 34 LEU CA C 34 57.475 66.025 -8.550 1
1 391 . 7 2 1 A 34 34 LEU CB C 34 42.687 31.230 11.457 1
1 395 . 7 2 1 A 34 34 LEU N N 34 118.971 118.336 0.635 1
1 396 . 7 2 1 A 35 35 VAL H H 35 7.794 8.200 -0.406 1
1 405 . 7 2 1 A 35 35 VAL CA C 35 62.990 47.127 15.863 1
1 409 . 7 2 1 A 35 35 VAL N N 35 113.834 108.890 4.944 1
1 410 . 7 2 1 A 36 36 GLY H H 36 7.873 7.714 0.159 1
1 413 . 7 2 1 A 36 36 GLY CA C 36 45.946 54.577 -8.631 1
1 414 . 7 2 1 A 36 36 GLY N N 36 109.267 116.691 -7.424 1
1 3 . 8 2 1 A 1 1 GLY CA C 1 43.523 50.926 -7.403 1
1 4 . 8 2 1 A 2 2 ALA H H 2 8.725 8.755 -0.030 1
1 9 . 8 2 1 A 2 2 ALA CA C 2 52.891 46.991 5.900 1
1 11 . 8 2 1 A 2 2 ALA N N 2 124.084 109.505 14.579 1
1 12 . 8 2 1 A 3 3 GLY H H 3 8.647 8.073 0.574 1
1 15 . 8 2 1 A 3 3 GLY CA C 3 45.438 61.305 -15.867 1
1 16 . 8 2 1 A 3 3 GLY N N 3 108.827 117.748 -8.921 1
1 17 . 8 2 1 A 4 4 SER H H 4 8.311 8.116 0.195 1
1 18 . 8 2 1 A 4 4 SER HA H 4 4.493 4.069 0.424 1
1 21 . 8 2 1 A 4 4 SER CA C 4 58.607 61.857 -3.250 1
1 22 . 8 2 1 A 4 4 SER CB C 4 63.715 62.727 0.988 1
1 23 . 8 2 1 A 4 4 SER N N 4 115.868 119.840 -3.972 1
1 24 . 8 2 1 A 5 5 SER H H 5 8.620 7.981 0.639 1
1 25 . 8 2 1 A 5 5 SER HA H 5 4.469 4.113 0.356 1
1 28 . 8 2 1 A 5 5 SER CA C 5 59.103 62.424 -3.321 1
1 29 . 8 2 1 A 5 5 SER CB C 5 63.474 63.002 0.472 1
1 30 . 8 2 1 A 5 5 SER N N 5 118.963 117.941 1.022 1
1 31 . 8 2 1 A 6 6 SER H H 6 8.490 8.121 0.369 1
1 32 . 8 2 1 A 6 6 SER HA H 6 4.388 4.074 0.314 1
1 35 . 8 2 1 A 6 6 SER CA C 6 59.989 58.048 1.941 1
1 36 . 8 2 1 A 6 6 SER CB C 6 63.455 41.709 21.746 1
1 37 . 8 2 1 A 6 6 SER N N 6 119.176 122.425 -3.249 1
1 38 . 8 2 1 A 7 7 LEU H H 7 8.281 8.582 -0.301 1
1 39 . 8 2 1 A 7 7 LEU HA H 7 4.129 3.949 0.180 1
1 49 . 8 2 1 A 7 7 LEU CA C 7 57.627 59.859 -2.232 1
1 50 . 8 2 1 A 7 7 LEU CB C 7 41.789 29.030 12.759 1
1 54 . 8 2 1 A 7 7 LEU N N 7 123.537 119.272 4.265 1
1 55 . 8 2 1 A 8 8 GLU H H 8 8.192 8.033 0.159 1
1 56 . 8 2 1 A 8 8 GLU HA H 8 4.028 4.062 -0.034 1
1 61 . 8 2 1 A 8 8 GLU CA C 8 59.357 55.118 4.239 1
1 62 . 8 2 1 A 8 8 GLU CB C 8 29.135 18.444 10.691 1
1 64 . 8 2 1 A 8 8 GLU N N 8 118.872 122.274 -3.402 1
1 65 . 8 2 1 A 9 9 ALA H H 9 7.973 8.037 -0.064 1
1 66 . 8 2 1 A 9 9 ALA HA H 9 4.090 3.429 0.661 1
1 70 . 8 2 1 A 9 9 ALA CA C 9 55.445 66.422 -10.977 1
1 71 . 8 2 1 A 9 9 ALA CB C 9 18.235 31.606 -13.371 1
1 72 . 8 2 1 A 9 9 ALA N N 9 121.399 118.403 2.996 1
1 73 . 8 2 1 A 10 10 VAL H H 10 7.889 8.404 -0.515 1
1 74 . 8 2 1 A 10 10 VAL HA H 10 3.731 3.952 -0.221 1
1 82 . 8 2 1 A 10 10 VAL CA C 10 66.289 59.868 6.421 1
1 83 . 8 2 1 A 10 10 VAL CB C 10 31.617 29.802 1.815 1
1 86 . 8 2 1 A 10 10 VAL N N 10 119.522 120.115 -0.593 1
1 87 . 8 2 1 A 11 11 ARG H H 11 8.299 8.373 -0.074 1
1 88 . 8 2 1 A 11 11 ARG HA H 11 3.844 4.002 -0.158 1
1 95 . 8 2 1 A 11 11 ARG CA C 11 60.565 59.331 1.234 1
1 96 . 8 2 1 A 11 11 ARG CB C 11 30.302 29.986 0.316 1
1 99 . 8 2 1 A 11 11 ARG N N 11 120.475 119.467 1.008 1
1 100 . 8 2 1 A 12 12 ARG H H 12 8.183 7.741 0.442 1
1 101 . 8 2 1 A 12 12 ARG HA H 12 3.998 4.229 -0.231 1
1 108 . 8 2 1 A 12 12 ARG CA C 12 59.526 59.182 0.344 1
1 109 . 8 2 1 A 12 12 ARG CB C 12 30.264 32.276 -2.012 1
1 112 . 8 2 1 A 12 12 ARG N N 12 118.440 119.170 -0.730 1
1 113 . 8 2 1 A 13 13 LYS H H 13 7.972 8.135 -0.163 1
1 114 . 8 2 1 A 13 13 LYS HA H 13 4.147 3.865 0.282 1
1 123 . 8 2 1 A 13 13 LYS CA C 13 59.104 63.578 -4.474 1
1 124 . 8 2 1 A 13 13 LYS CB C 13 32.697 37.192 -4.495 1
1 128 . 8 2 1 A 13 13 LYS N N 13 122.454 118.421 4.033 1
1 129 . 8 2 1 A 14 14 ILE H H 14 8.291 8.313 -0.022 1
1 130 . 8 2 1 A 14 14 ILE HA H 14 3.526 3.952 -0.426 1
1 140 . 8 2 1 A 14 14 ILE CA C 14 66.269 59.713 6.556 1
1 141 . 8 2 1 A 14 14 ILE CB C 14 37.845 29.948 7.897 1
1 145 . 8 2 1 A 14 14 ILE N N 14 119.298 122.188 -2.890 1
1 146 . 8 2 1 A 15 15 ARG H H 15 8.047 7.870 0.177 1
1 147 . 8 2 1 A 15 15 ARG HA H 15 4.250 4.163 0.087 1
1 154 . 8 2 1 A 15 15 ARG CA C 15 59.244 61.781 -2.537 1
1 155 . 8 2 1 A 15 15 ARG CB C 15 29.793 63.231 -33.438 1
1 158 . 8 2 1 A 15 15 ARG N N 15 120.923 113.715 7.208 1
1 159 . 8 2 1 A 16 16 SER H H 16 8.374 8.515 -0.141 1
1 160 . 8 2 1 A 16 16 SER HA H 16 4.344 3.899 0.445 1
1 163 . 8 2 1 A 16 16 SER CA C 16 61.861 58.057 3.804 1
1 164 . 8 2 1 A 16 16 SER CB C 16 62.882 41.528 21.354 1
1 165 . 8 2 1 A 16 16 SER N N 16 114.520 121.917 -7.397 1
1 166 . 8 2 1 A 17 17 LEU H H 17 8.135 8.411 -0.276 1
1 167 . 8 2 1 A 17 17 LEU HA H 17 4.096 4.047 0.049 1
1 177 . 8 2 1 A 17 17 LEU CA C 17 58.197 59.274 -1.077 1
1 178 . 8 2 1 A 17 17 LEU CB C 17 43.647 28.254 15.393 1
1 182 . 8 2 1 A 17 17 LEU N N 17 122.938 117.698 5.240 1
1 183 . 8 2 1 A 18 18 GLN H H 18 8.649 8.570 0.079 1
1 184 . 8 2 1 A 18 18 GLN HA H 18 3.965 4.147 -0.182 1
1 191 . 8 2 1 A 18 18 GLN CA C 18 59.450 59.386 0.064 1
1 192 . 8 2 1 A 18 18 GLN CB C 18 28.710 29.275 -0.565 1
1 194 . 8 2 1 A 18 18 GLN N N 18 119.456 120.151 -0.695 1
1 196 . 8 2 1 A 19 19 GLU H H 19 8.500 8.097 0.403 1
1 197 . 8 2 1 A 19 19 GLU HA H 19 4.120 4.104 0.016 1
1 202 . 8 2 1 A 19 19 GLU CA C 19 59.647 58.885 0.762 1
1 203 . 8 2 1 A 19 19 GLU CB C 19 29.625 28.520 1.105 1
1 205 . 8 2 1 A 19 19 GLU N N 19 120.612 119.166 1.446 1
1 206 . 8 2 1 A 20 20 GLN H H 20 8.424 8.680 -0.256 1
1 207 . 8 2 1 A 20 20 GLN HA H 20 4.285 4.466 -0.181 1
1 214 . 8 2 1 A 20 20 GLN CA C 20 58.982 56.373 2.609 1
1 215 . 8 2 1 A 20 20 GLN CB C 20 28.787 37.827 -9.040 1
1 217 . 8 2 1 A 20 20 GLN N N 20 120.205 118.023 2.182 1
1 219 . 8 2 1 A 21 21 ASN H H 21 8.563 8.326 0.237 1
1 220 . 8 2 1 A 21 21 ASN HA H 21 4.383 4.327 0.056 1
1 225 . 8 2 1 A 21 21 ASN CA C 21 57.475 61.570 -4.095 1
1 226 . 8 2 1 A 21 21 ASN CB C 21 38.667 38.488 0.179 1
1 227 . 8 2 1 A 21 21 ASN N N 21 120.117 123.098 -2.981 1
1 229 . 8 2 1 A 22 22 TYR H H 22 8.115 8.364 -0.249 1
1 230 . 8 2 1 A 22 22 TYR HA H 22 4.394 4.203 0.191 1
1 237 . 8 2 1 A 22 22 TYR CA C 22 60.646 59.733 0.913 1
1 238 . 8 2 1 A 22 22 TYR CB C 22 37.993 30.310 7.683 1
1 239 . 8 2 1 A 22 22 TYR N N 22 120.082 119.474 0.608 1
1 240 . 8 2 1 A 23 23 HIS H H 23 8.025 9.174 -1.149 1
1 241 . 8 2 1 A 23 23 HIS HA H 23 4.402 3.900 0.502 1
1 245 . 8 2 1 A 23 23 HIS CA C 23 59.328 57.926 1.402 1
1 246 . 8 2 1 A 23 23 HIS CB C 23 29.518 41.165 -11.647 1
1 247 . 8 2 1 A 23 23 HIS N N 23 118.108 119.170 -1.062 1
1 248 . 8 2 1 A 24 24 LEU H H 24 8.751 8.465 0.286 1
1 249 . 8 2 1 A 24 24 LEU HA H 24 3.928 3.890 0.038 1
1 259 . 8 2 1 A 24 24 LEU CA C 24 58.226 59.682 -1.456 1
1 260 . 8 2 1 A 24 24 LEU CB C 24 43.778 29.087 14.691 1
1 264 . 8 2 1 A 24 24 LEU N N 24 120.548 121.058 -0.510 1
1 265 . 8 2 1 A 25 25 GLU H H 25 8.830 7.826 1.004 1
1 266 . 8 2 1 A 25 25 GLU HA H 25 3.926 4.311 -0.385 1
1 271 . 8 2 1 A 25 25 GLU CA C 25 60.114 56.455 3.659 1
1 272 . 8 2 1 A 25 25 GLU CB C 25 29.339 38.478 -9.139 1
1 274 . 8 2 1 A 25 25 GLU N N 25 119.875 118.523 1.352 1
1 275 . 8 2 1 A 26 26 ASN H H 26 7.774 8.597 -0.823 1
1 276 . 8 2 1 A 26 26 ASN HA H 26 4.435 3.975 0.460 1
1 281 . 8 2 1 A 26 26 ASN CA C 26 56.238 58.809 -2.571 1
1 282 . 8 2 1 A 26 26 ASN CB C 26 37.945 29.552 8.393 1
1 283 . 8 2 1 A 26 26 ASN N N 26 119.022 119.591 -0.569 1
1 285 . 8 2 1 A 27 27 GLU H H 27 8.179 8.709 -0.530 1
1 286 . 8 2 1 A 27 27 GLU HA H 27 4.436 3.850 0.586 1
1 291 . 8 2 1 A 27 27 GLU CA C 27 58.674 64.568 -5.894 1
1 292 . 8 2 1 A 27 27 GLU CB C 27 30.279 31.462 -1.183 1
1 294 . 8 2 1 A 27 27 GLU N N 27 124.075 118.750 5.325 1
1 295 . 8 2 1 A 28 28 VAL H H 28 8.731 8.005 0.726 1
1 296 . 8 2 1 A 28 28 VAL HA H 28 3.385 3.915 -0.530 1
1 304 . 8 2 1 A 28 28 VAL CA C 28 67.756 55.698 12.058 1
1 305 . 8 2 1 A 28 28 VAL CB C 28 31.732 18.615 13.117 1
1 308 . 8 2 1 A 28 28 VAL N N 28 120.425 123.370 -2.945 1
1 309 . 8 2 1 A 29 29 ALA H H 29 7.767 7.856 -0.089 1
1 310 . 8 2 1 A 29 29 ALA HA H 29 4.010 3.994 0.016 1
1 314 . 8 2 1 A 29 29 ALA CA C 29 55.524 59.349 -3.825 1
1 315 . 8 2 1 A 29 29 ALA CB C 29 18.122 29.557 -11.435 1
1 316 . 8 2 1 A 29 29 ALA N N 29 120.034 119.158 0.876 1
1 317 . 8 2 1 A 30 30 ARG H H 30 7.994 8.134 -0.140 1
1 318 . 8 2 1 A 30 30 ARG HA H 30 3.965 4.026 -0.061 1
1 325 . 8 2 1 A 30 30 ARG CA C 30 59.663 57.960 1.703 1
1 326 . 8 2 1 A 30 30 ARG CB C 30 30.860 41.084 -10.224 1
1 329 . 8 2 1 A 30 30 ARG N N 30 119.884 119.460 0.424 1
1 330 . 8 2 1 A 31 31 LEU H H 31 8.516 8.967 -0.451 1
1 331 . 8 2 1 A 31 31 LEU HA H 31 3.964 4.015 -0.051 1
1 341 . 8 2 1 A 31 31 LEU CA C 31 58.141 58.828 -0.687 1
1 342 . 8 2 1 A 31 31 LEU CB C 31 44.129 31.832 12.297 1
1 346 . 8 2 1 A 31 31 LEU N N 31 120.609 118.416 2.193 1
1 347 . 8 2 1 A 32 32 LYS H H 32 9.048 7.737 1.311 1
1 348 . 8 2 1 A 32 32 LYS HA H 32 3.822 4.129 -0.307 1
1 357 . 8 2 1 A 32 32 LYS CA C 32 60.976 58.885 2.091 1
1 358 . 8 2 1 A 32 32 LYS CB C 32 32.591 31.620 0.971 1
1 362 . 8 2 1 A 32 32 LYS N N 32 118.822 119.778 -0.956 1
1 363 . 8 2 1 A 33 33 LYS H H 33 7.381 7.722 -0.341 1
1 364 . 8 2 1 A 33 33 LYS HA H 33 4.141 4.034 0.107 1
1 373 . 8 2 1 A 33 33 LYS CA C 33 58.987 58.010 0.977 1
1 374 . 8 2 1 A 33 33 LYS CB C 33 32.372 41.812 -9.440 1
1 378 . 8 2 1 A 33 33 LYS N N 33 117.698 120.929 -3.231 1
1 379 . 8 2 1 A 34 34 LEU H H 34 7.475 8.338 -0.863 1
1 380 . 8 2 1 A 34 34 LEU HA H 34 4.185 3.757 0.428 1
1 390 . 8 2 1 A 34 34 LEU CA C 34 57.475 65.888 -8.413 1
1 391 . 8 2 1 A 34 34 LEU CB C 34 42.687 31.404 11.283 1
1 395 . 8 2 1 A 34 34 LEU N N 34 118.971 118.468 0.503 1
1 396 . 8 2 1 A 35 35 VAL H H 35 7.794 8.023 -0.229 1
1 405 . 8 2 1 A 35 35 VAL CA C 35 62.990 47.050 15.940 1
1 409 . 8 2 1 A 35 35 VAL N N 35 113.834 109.203 4.631 1
1 410 . 8 2 1 A 36 36 GLY H H 36 7.873 8.167 -0.294 1
1 413 . 8 2 1 A 36 36 GLY CA C 36 45.946 57.636 -11.690 1
1 414 . 8 2 1 A 36 36 GLY N N 36 109.267 120.308 -11.041 1
1 3 . 9 2 1 A 1 1 GLY CA C 1 43.523 50.895 -7.372 1
1 4 . 9 2 1 A 2 2 ALA H H 2 8.725 8.770 -0.045 1
1 9 . 9 2 1 A 2 2 ALA CA C 2 52.891 45.703 7.188 1
1 11 . 9 2 1 A 2 2 ALA N N 2 124.084 112.879 11.205 1
1 12 . 9 2 1 A 3 3 GLY H H 3 8.647 8.020 0.627 1
1 15 . 9 2 1 A 3 3 GLY CA C 3 45.438 57.173 -11.735 1
1 16 . 9 2 1 A 3 3 GLY N N 3 108.827 117.161 -8.334 1
1 17 . 9 2 1 A 4 4 SER H H 4 8.311 8.450 -0.139 1
1 18 . 9 2 1 A 4 4 SER HA H 4 4.493 4.449 0.044 1
1 21 . 9 2 1 A 4 4 SER CA C 4 58.607 60.097 -1.490 1
1 22 . 9 2 1 A 4 4 SER CB C 4 63.715 63.239 0.476 1
1 23 . 9 2 1 A 4 4 SER N N 4 115.868 121.440 -5.572 1
1 24 . 9 2 1 A 5 5 SER H H 5 8.620 7.939 0.681 1
1 25 . 9 2 1 A 5 5 SER HA H 5 4.469 4.227 0.242 1
1 28 . 9 2 1 A 5 5 SER CA C 5 59.103 61.379 -2.276 1
1 29 . 9 2 1 A 5 5 SER CB C 5 63.474 62.956 0.518 1
1 30 . 9 2 1 A 5 5 SER N N 5 118.963 116.153 2.810 1
1 31 . 9 2 1 A 6 6 SER H H 6 8.490 8.027 0.463 1
1 32 . 9 2 1 A 6 6 SER HA H 6 4.388 4.036 0.352 1
1 35 . 9 2 1 A 6 6 SER CA C 6 59.989 58.299 1.690 1
1 36 . 9 2 1 A 6 6 SER CB C 6 63.455 41.475 21.980 1
1 37 . 9 2 1 A 6 6 SER N N 6 119.176 122.886 -3.710 1
1 38 . 9 2 1 A 7 7 LEU H H 7 8.281 8.366 -0.085 1
1 39 . 9 2 1 A 7 7 LEU HA H 7 4.129 3.975 0.154 1
1 49 . 9 2 1 A 7 7 LEU CA C 7 57.627 59.659 -2.032 1
1 50 . 9 2 1 A 7 7 LEU CB C 7 41.789 29.256 12.533 1
1 54 . 9 2 1 A 7 7 LEU N N 7 123.537 119.027 4.510 1
1 55 . 9 2 1 A 8 8 GLU H H 8 8.192 7.907 0.285 1
1 56 . 9 2 1 A 8 8 GLU HA H 8 4.028 4.047 -0.019 1
1 61 . 9 2 1 A 8 8 GLU CA C 8 59.357 55.142 4.215 1
1 62 . 9 2 1 A 8 8 GLU CB C 8 29.135 18.785 10.350 1
1 64 . 9 2 1 A 8 8 GLU N N 8 118.872 122.590 -3.718 1
1 65 . 9 2 1 A 9 9 ALA H H 9 7.973 8.395 -0.422 1
1 66 . 9 2 1 A 9 9 ALA HA H 9 4.090 3.385 0.705 1
1 70 . 9 2 1 A 9 9 ALA CA C 9 55.445 66.713 -11.268 1
1 71 . 9 2 1 A 9 9 ALA CB C 9 18.235 31.445 -13.210 1
1 72 . 9 2 1 A 9 9 ALA N N 9 121.399 118.046 3.353 1
1 73 . 9 2 1 A 10 10 VAL H H 10 7.889 8.253 -0.364 1
1 74 . 9 2 1 A 10 10 VAL HA H 10 3.731 3.943 -0.212 1
1 82 . 9 2 1 A 10 10 VAL CA C 10 66.289 59.891 6.398 1
1 83 . 9 2 1 A 10 10 VAL CB C 10 31.617 29.916 1.701 1
1 86 . 9 2 1 A 10 10 VAL N N 10 119.522 119.737 -0.215 1
1 87 . 9 2 1 A 11 11 ARG H H 11 8.299 8.331 -0.032 1
1 88 . 9 2 1 A 11 11 ARG HA H 11 3.844 4.033 -0.189 1
1 95 . 9 2 1 A 11 11 ARG CA C 11 60.565 59.187 1.378 1
1 96 . 9 2 1 A 11 11 ARG CB C 11 30.302 29.814 0.488 1
1 99 . 9 2 1 A 11 11 ARG N N 11 120.475 119.170 1.305 1
1 100 . 9 2 1 A 12 12 ARG H H 12 8.183 7.876 0.307 1
1 101 . 9 2 1 A 12 12 ARG HA H 12 3.998 4.005 -0.007 1
1 108 . 9 2 1 A 12 12 ARG CA C 12 59.526 59.270 0.256 1
1 109 . 9 2 1 A 12 12 ARG CB C 12 30.264 32.281 -2.017 1
1 112 . 9 2 1 A 12 12 ARG N N 12 118.440 118.346 0.094 1
1 113 . 9 2 1 A 13 13 LYS H H 13 7.972 7.920 0.052 1
1 114 . 9 2 1 A 13 13 LYS HA H 13 4.147 3.832 0.315 1
1 123 . 9 2 1 A 13 13 LYS CA C 13 59.104 63.833 -4.729 1
1 124 . 9 2 1 A 13 13 LYS CB C 13 32.697 37.276 -4.579 1
1 128 . 9 2 1 A 13 13 LYS N N 13 122.454 116.659 5.795 1
1 129 . 9 2 1 A 14 14 ILE H H 14 8.291 7.971 0.320 1
1 130 . 9 2 1 A 14 14 ILE HA H 14 3.526 4.035 -0.509 1
1 140 . 9 2 1 A 14 14 ILE CA C 14 66.269 59.227 7.042 1
1 141 . 9 2 1 A 14 14 ILE CB C 14 37.845 29.857 7.988 1
1 145 . 9 2 1 A 14 14 ILE N N 14 119.298 122.046 -2.748 1
1 146 . 9 2 1 A 15 15 ARG H H 15 8.047 8.255 -0.208 1
1 147 . 9 2 1 A 15 15 ARG HA H 15 4.250 4.162 0.088 1
1 154 . 9 2 1 A 15 15 ARG CA C 15 59.244 61.428 -2.184 1
1 155 . 9 2 1 A 15 15 ARG CB C 15 29.793 62.477 -32.684 1
1 158 . 9 2 1 A 15 15 ARG N N 15 120.923 115.325 5.598 1
1 159 . 9 2 1 A 16 16 SER H H 16 8.374 8.224 0.150 1
1 160 . 9 2 1 A 16 16 SER HA H 16 4.344 3.932 0.412 1
1 163 . 9 2 1 A 16 16 SER CA C 16 61.861 58.028 3.833 1
1 164 . 9 2 1 A 16 16 SER CB C 16 62.882 41.413 21.469 1
1 165 . 9 2 1 A 16 16 SER N N 16 114.520 123.223 -8.703 1
1 166 . 9 2 1 A 17 17 LEU H H 17 8.135 8.237 -0.102 1
1 167 . 9 2 1 A 17 17 LEU HA H 17 4.096 3.897 0.199 1
1 177 . 9 2 1 A 17 17 LEU CA C 17 58.197 59.136 -0.939 1
1 178 . 9 2 1 A 17 17 LEU CB C 17 43.647 28.364 15.283 1
1 182 . 9 2 1 A 17 17 LEU N N 17 122.938 117.560 5.378 1
1 183 . 9 2 1 A 18 18 GLN H H 18 8.649 8.042 0.607 1
1 184 . 9 2 1 A 18 18 GLN HA H 18 3.965 3.904 0.061 1
1 191 . 9 2 1 A 18 18 GLN CA C 18 59.450 58.853 0.597 1
1 192 . 9 2 1 A 18 18 GLN CB C 18 28.710 29.041 -0.331 1
1 194 . 9 2 1 A 18 18 GLN N N 18 119.456 120.400 -0.944 1
1 196 . 9 2 1 A 19 19 GLU H H 19 8.500 8.010 0.490 1
1 197 . 9 2 1 A 19 19 GLU HA H 19 4.120 3.908 0.212 1
1 202 . 9 2 1 A 19 19 GLU CA C 19 59.647 58.844 0.803 1
1 203 . 9 2 1 A 19 19 GLU CB C 19 29.625 28.154 1.471 1
1 205 . 9 2 1 A 19 19 GLU N N 19 120.612 119.789 0.823 1
1 206 . 9 2 1 A 20 20 GLN H H 20 8.424 8.643 -0.219 1
1 207 . 9 2 1 A 20 20 GLN HA H 20 4.285 4.417 -0.132 1
1 214 . 9 2 1 A 20 20 GLN CA C 20 58.982 56.147 2.835 1
1 215 . 9 2 1 A 20 20 GLN CB C 20 28.787 38.372 -9.585 1
1 217 . 9 2 1 A 20 20 GLN N N 20 120.205 117.986 2.219 1
1 219 . 9 2 1 A 21 21 ASN H H 21 8.563 8.364 0.199 1
1 220 . 9 2 1 A 21 21 ASN HA H 21 4.383 4.255 0.128 1
1 225 . 9 2 1 A 21 21 ASN CA C 21 57.475 61.455 -3.980 1
1 226 . 9 2 1 A 21 21 ASN CB C 21 38.667 38.223 0.444 1
1 227 . 9 2 1 A 21 21 ASN N N 21 120.117 121.754 -1.637 1
1 229 . 9 2 1 A 22 22 TYR H H 22 8.115 8.026 0.089 1
1 230 . 9 2 1 A 22 22 TYR HA H 22 4.394 4.276 0.118 1
1 237 . 9 2 1 A 22 22 TYR CA C 22 60.646 59.678 0.968 1
1 238 . 9 2 1 A 22 22 TYR CB C 22 37.993 30.628 7.365 1
1 239 . 9 2 1 A 22 22 TYR N N 22 120.082 117.493 2.589 1
1 240 . 9 2 1 A 23 23 HIS H H 23 8.025 8.361 -0.336 1
1 241 . 9 2 1 A 23 23 HIS HA H 23 4.402 3.824 0.578 1
1 245 . 9 2 1 A 23 23 HIS CA C 23 59.328 57.829 1.499 1
1 246 . 9 2 1 A 23 23 HIS CB C 23 29.518 41.130 -11.612 1
1 247 . 9 2 1 A 23 23 HIS N N 23 118.108 119.361 -1.253 1
1 248 . 9 2 1 A 24 24 LEU H H 24 8.751 9.020 -0.269 1
1 249 . 9 2 1 A 24 24 LEU HA H 24 3.928 3.863 0.065 1
1 259 . 9 2 1 A 24 24 LEU CA C 24 58.226 59.777 -1.551 1
1 260 . 9 2 1 A 24 24 LEU CB C 24 43.778 28.735 15.043 1
1 264 . 9 2 1 A 24 24 LEU N N 24 120.548 120.726 -0.178 1
1 265 . 9 2 1 A 25 25 GLU H H 25 8.830 8.090 0.740 1
1 266 . 9 2 1 A 25 25 GLU HA H 25 3.926 4.326 -0.400 1
1 271 . 9 2 1 A 25 25 GLU CA C 25 60.114 56.627 3.487 1
1 272 . 9 2 1 A 25 25 GLU CB C 25 29.339 38.929 -9.590 1
1 274 . 9 2 1 A 25 25 GLU N N 25 119.875 118.003 1.872 1
1 275 . 9 2 1 A 26 26 ASN H H 26 7.774 7.927 -0.153 1
1 276 . 9 2 1 A 26 26 ASN HA H 26 4.435 4.122 0.313 1
1 281 . 9 2 1 A 26 26 ASN CA C 26 56.238 58.849 -2.611 1
1 282 . 9 2 1 A 26 26 ASN CB C 26 37.945 29.589 8.356 1
1 283 . 9 2 1 A 26 26 ASN N N 26 119.022 119.579 -0.557 1
1 285 . 9 2 1 A 27 27 GLU H H 27 8.179 8.566 -0.387 1
1 286 . 9 2 1 A 27 27 GLU HA H 27 4.436 3.796 0.640 1
1 291 . 9 2 1 A 27 27 GLU CA C 27 58.674 64.888 -6.214 1
1 292 . 9 2 1 A 27 27 GLU CB C 27 30.279 31.238 -0.959 1
1 294 . 9 2 1 A 27 27 GLU N N 27 124.075 119.399 4.676 1
1 295 . 9 2 1 A 28 28 VAL H H 28 8.731 7.952 0.779 1
1 296 . 9 2 1 A 28 28 VAL HA H 28 3.385 3.969 -0.584 1
1 304 . 9 2 1 A 28 28 VAL CA C 28 67.756 55.349 12.407 1
1 305 . 9 2 1 A 28 28 VAL CB C 28 31.732 18.009 13.723 1
1 308 . 9 2 1 A 28 28 VAL N N 28 120.425 123.499 -3.074 1
1 309 . 9 2 1 A 29 29 ALA H H 29 7.767 8.050 -0.283 1
1 310 . 9 2 1 A 29 29 ALA HA H 29 4.010 4.066 -0.056 1
1 314 . 9 2 1 A 29 29 ALA CA C 29 55.524 58.909 -3.385 1
1 315 . 9 2 1 A 29 29 ALA CB C 29 18.122 29.886 -11.764 1
1 316 . 9 2 1 A 29 29 ALA N N 29 120.034 118.701 1.333 1
1 317 . 9 2 1 A 30 30 ARG H H 30 7.994 8.381 -0.387 1
1 318 . 9 2 1 A 30 30 ARG HA H 30 3.965 4.012 -0.047 1
1 325 . 9 2 1 A 30 30 ARG CA C 30 59.663 57.950 1.713 1
1 326 . 9 2 1 A 30 30 ARG CB C 30 30.860 41.840 -10.980 1
1 329 . 9 2 1 A 30 30 ARG N N 30 119.884 121.045 -1.161 1
1 330 . 9 2 1 A 31 31 LEU H H 31 8.516 8.115 0.401 1
1 331 . 9 2 1 A 31 31 LEU HA H 31 3.964 4.088 -0.124 1
1 341 . 9 2 1 A 31 31 LEU CA C 31 58.141 58.590 -0.449 1
1 342 . 9 2 1 A 31 31 LEU CB C 31 44.129 31.471 12.658 1
1 346 . 9 2 1 A 31 31 LEU N N 31 120.609 117.905 2.704 1
1 347 . 9 2 1 A 32 32 LYS H H 32 9.048 7.916 1.132 1
1 348 . 9 2 1 A 32 32 LYS HA H 32 3.822 4.143 -0.321 1
1 357 . 9 2 1 A 32 32 LYS CA C 32 60.976 59.296 1.680 1
1 358 . 9 2 1 A 32 32 LYS CB C 32 32.591 32.267 0.324 1
1 362 . 9 2 1 A 32 32 LYS N N 32 118.822 119.738 -0.916 1
1 363 . 9 2 1 A 33 33 LYS H H 33 7.381 7.929 -0.548 1
1 364 . 9 2 1 A 33 33 LYS HA H 33 4.141 4.014 0.127 1
1 373 . 9 2 1 A 33 33 LYS CA C 33 58.987 58.160 0.827 1
1 374 . 9 2 1 A 33 33 LYS CB C 33 32.372 41.711 -9.339 1
1 378 . 9 2 1 A 33 33 LYS N N 33 117.698 120.985 -3.287 1
1 379 . 9 2 1 A 34 34 LEU H H 34 7.475 8.201 -0.726 1
1 380 . 9 2 1 A 34 34 LEU HA H 34 4.185 3.866 0.319 1
1 390 . 9 2 1 A 34 34 LEU CA C 34 57.475 65.268 -7.793 1
1 391 . 9 2 1 A 34 34 LEU CB C 34 42.687 31.446 11.241 1
1 395 . 9 2 1 A 34 34 LEU N N 34 118.971 118.126 0.845 1
1 396 . 9 2 1 A 35 35 VAL H H 35 7.794 8.008 -0.214 1
1 405 . 9 2 1 A 35 35 VAL CA C 35 62.990 47.106 15.884 1
1 409 . 9 2 1 A 35 35 VAL N N 35 113.834 109.276 4.558 1
1 410 . 9 2 1 A 36 36 GLY H H 36 7.873 7.883 -0.010 1
1 413 . 9 2 1 A 36 36 GLY CA C 36 45.946 56.702 -10.756 1
1 414 . 9 2 1 A 36 36 GLY N N 36 109.267 119.695 -10.428 1
1 3 . 10 2 1 A 1 1 GLY CA C 1 43.523 51.185 -7.662 1
1 4 . 10 2 1 A 2 2 ALA H H 2 8.725 8.612 0.113 1
1 9 . 10 2 1 A 2 2 ALA CA C 2 52.891 45.637 7.254 1
1 11 . 10 2 1 A 2 2 ALA N N 2 124.084 107.428 16.656 1
1 12 . 10 2 1 A 3 3 GLY H H 3 8.647 8.357 0.290 1
1 15 . 10 2 1 A 3 3 GLY CA C 3 45.438 62.567 -17.129 1
1 16 . 10 2 1 A 3 3 GLY N N 3 108.827 114.486 -5.659 1
1 17 . 10 2 1 A 4 4 SER H H 4 8.311 8.106 0.205 1
1 18 . 10 2 1 A 4 4 SER HA H 4 4.493 4.133 0.360 1
1 21 . 10 2 1 A 4 4 SER CA C 4 58.607 61.329 -2.722 1
1 22 . 10 2 1 A 4 4 SER CB C 4 63.715 62.996 0.719 1
1 23 . 10 2 1 A 4 4 SER N N 4 115.868 117.911 -2.043 1
1 24 . 10 2 1 A 5 5 SER H H 5 8.620 8.027 0.593 1
1 25 . 10 2 1 A 5 5 SER HA H 5 4.469 4.126 0.343 1
1 28 . 10 2 1 A 5 5 SER CA C 5 59.103 62.414 -3.311 1
1 29 . 10 2 1 A 5 5 SER CB C 5 63.474 63.249 0.225 1
1 30 . 10 2 1 A 5 5 SER N N 5 118.963 118.451 0.512 1
1 31 . 10 2 1 A 6 6 SER H H 6 8.490 8.256 0.234 1
1 32 . 10 2 1 A 6 6 SER HA H 6 4.388 4.067 0.321 1
1 35 . 10 2 1 A 6 6 SER CA C 6 59.989 57.945 2.044 1
1 36 . 10 2 1 A 6 6 SER CB C 6 63.455 41.933 21.522 1
1 37 . 10 2 1 A 6 6 SER N N 6 119.176 121.989 -2.813 1
1 38 . 10 2 1 A 7 7 LEU H H 7 8.281 8.352 -0.071 1
1 39 . 10 2 1 A 7 7 LEU HA H 7 4.129 4.022 0.107 1
1 49 . 10 2 1 A 7 7 LEU CA C 7 57.627 59.490 -1.863 1
1 50 . 10 2 1 A 7 7 LEU CB C 7 41.789 29.383 12.406 1
1 54 . 10 2 1 A 7 7 LEU N N 7 123.537 119.253 4.284 1
1 55 . 10 2 1 A 8 8 GLU H H 8 8.192 8.158 0.034 1
1 56 . 10 2 1 A 8 8 GLU HA H 8 4.028 4.041 -0.013 1
1 61 . 10 2 1 A 8 8 GLU CA C 8 59.357 55.184 4.173 1
1 62 . 10 2 1 A 8 8 GLU CB C 8 29.135 18.442 10.693 1
1 64 . 10 2 1 A 8 8 GLU N N 8 118.872 122.059 -3.187 1
1 65 . 10 2 1 A 9 9 ALA H H 9 7.973 7.917 0.056 1
1 66 . 10 2 1 A 9 9 ALA HA H 9 4.090 3.347 0.743 1
1 70 . 10 2 1 A 9 9 ALA CA C 9 55.445 66.913 -11.468 1
1 71 . 10 2 1 A 9 9 ALA CB C 9 18.235 31.432 -13.197 1
1 72 . 10 2 1 A 9 9 ALA N N 9 121.399 118.573 2.826 1
1 73 . 10 2 1 A 10 10 VAL H H 10 7.889 8.529 -0.640 1
1 74 . 10 2 1 A 10 10 VAL HA H 10 3.731 3.945 -0.214 1
1 82 . 10 2 1 A 10 10 VAL CA C 10 66.289 59.914 6.375 1
1 83 . 10 2 1 A 10 10 VAL CB C 10 31.617 29.916 1.701 1
1 86 . 10 2 1 A 10 10 VAL N N 10 119.522 119.764 -0.242 1
1 87 . 10 2 1 A 11 11 ARG H H 11 8.299 8.135 0.164 1
1 88 . 10 2 1 A 11 11 ARG HA H 11 3.844 3.986 -0.142 1
1 95 . 10 2 1 A 11 11 ARG CA C 11 60.565 59.192 1.373 1
1 96 . 10 2 1 A 11 11 ARG CB C 11 30.302 29.861 0.441 1
1 99 . 10 2 1 A 11 11 ARG N N 11 120.475 119.332 1.143 1
1 100 . 10 2 1 A 12 12 ARG H H 12 8.183 7.710 0.473 1
1 101 . 10 2 1 A 12 12 ARG HA H 12 3.998 4.066 -0.068 1
1 108 . 10 2 1 A 12 12 ARG CA C 12 59.526 59.415 0.111 1
1 109 . 10 2 1 A 12 12 ARG CB C 12 30.264 32.207 -1.943 1
1 112 . 10 2 1 A 12 12 ARG N N 12 118.440 119.188 -0.748 1
1 113 . 10 2 1 A 13 13 LYS H H 13 7.972 8.074 -0.102 1
1 114 . 10 2 1 A 13 13 LYS HA H 13 4.147 3.809 0.338 1
1 123 . 10 2 1 A 13 13 LYS CA C 13 59.104 64.213 -5.109 1
1 124 . 10 2 1 A 13 13 LYS CB C 13 32.697 37.479 -4.782 1
1 128 . 10 2 1 A 13 13 LYS N N 13 122.454 118.521 3.933 1
1 129 . 10 2 1 A 14 14 ILE H H 14 8.291 7.907 0.384 1
1 130 . 10 2 1 A 14 14 ILE HA H 14 3.526 3.912 -0.386 1
1 140 . 10 2 1 A 14 14 ILE CA C 14 66.269 59.711 6.558 1
1 141 . 10 2 1 A 14 14 ILE CB C 14 37.845 30.044 7.801 1
1 145 . 10 2 1 A 14 14 ILE N N 14 119.298 122.242 -2.944 1
1 146 . 10 2 1 A 15 15 ARG H H 15 8.047 7.850 0.197 1
1 147 . 10 2 1 A 15 15 ARG HA H 15 4.250 4.186 0.064 1
1 154 . 10 2 1 A 15 15 ARG CA C 15 59.244 61.627 -2.383 1
1 155 . 10 2 1 A 15 15 ARG CB C 15 29.793 63.058 -33.265 1
1 158 . 10 2 1 A 15 15 ARG N N 15 120.923 113.771 7.152 1
1 159 . 10 2 1 A 16 16 SER H H 16 8.374 8.503 -0.129 1
1 160 . 10 2 1 A 16 16 SER HA H 16 4.344 3.934 0.410 1
1 163 . 10 2 1 A 16 16 SER CA C 16 61.861 58.068 3.793 1
1 164 . 10 2 1 A 16 16 SER CB C 16 62.882 41.431 21.451 1
1 165 . 10 2 1 A 16 16 SER N N 16 114.520 122.283 -7.763 1
1 166 . 10 2 1 A 17 17 LEU H H 17 8.135 8.559 -0.424 1
1 167 . 10 2 1 A 17 17 LEU HA H 17 4.096 3.928 0.168 1
1 177 . 10 2 1 A 17 17 LEU CA C 17 58.197 59.192 -0.995 1
1 178 . 10 2 1 A 17 17 LEU CB C 17 43.647 28.451 15.196 1
1 182 . 10 2 1 A 17 17 LEU N N 17 122.938 117.957 4.981 1
1 183 . 10 2 1 A 18 18 GLN H H 18 8.649 7.871 0.778 1
1 184 . 10 2 1 A 18 18 GLN HA H 18 3.965 4.020 -0.055 1
1 191 . 10 2 1 A 18 18 GLN CA C 18 59.450 59.067 0.383 1
1 192 . 10 2 1 A 18 18 GLN CB C 18 28.710 29.136 -0.426 1
1 194 . 10 2 1 A 18 18 GLN N N 18 119.456 119.924 -0.468 1
1 196 . 10 2 1 A 19 19 GLU H H 19 8.500 8.115 0.385 1
1 197 . 10 2 1 A 19 19 GLU HA H 19 4.120 3.899 0.221 1
1 202 . 10 2 1 A 19 19 GLU CA C 19 59.647 58.861 0.786 1
1 203 . 10 2 1 A 19 19 GLU CB C 19 29.625 28.307 1.318 1
1 205 . 10 2 1 A 19 19 GLU N N 19 120.612 118.980 1.632 1
1 206 . 10 2 1 A 20 20 GLN H H 20 8.424 8.709 -0.285 1
1 207 . 10 2 1 A 20 20 GLN HA H 20 4.285 4.435 -0.150 1
1 214 . 10 2 1 A 20 20 GLN CA C 20 58.982 56.329 2.653 1
1 215 . 10 2 1 A 20 20 GLN CB C 20 28.787 38.224 -9.437 1
1 217 . 10 2 1 A 20 20 GLN N N 20 120.205 117.967 2.238 1
1 219 . 10 2 1 A 21 21 ASN H H 21 8.563 7.931 0.632 1
1 220 . 10 2 1 A 21 21 ASN HA H 21 4.383 4.329 0.054 1
1 225 . 10 2 1 A 21 21 ASN CA C 21 57.475 61.496 -4.021 1
1 226 . 10 2 1 A 21 21 ASN CB C 21 38.667 38.393 0.274 1
1 227 . 10 2 1 A 21 21 ASN N N 21 120.117 122.757 -2.640 1
1 229 . 10 2 1 A 22 22 TYR H H 22 8.115 8.459 -0.344 1
1 230 . 10 2 1 A 22 22 TYR HA H 22 4.394 4.237 0.157 1
1 237 . 10 2 1 A 22 22 TYR CA C 22 60.646 59.367 1.279 1
1 238 . 10 2 1 A 22 22 TYR CB C 22 37.993 30.135 7.858 1
1 239 . 10 2 1 A 22 22 TYR N N 22 120.082 117.948 2.134 1
1 240 . 10 2 1 A 23 23 HIS H H 23 8.025 8.970 -0.945 1
1 241 . 10 2 1 A 23 23 HIS HA H 23 4.402 3.861 0.541 1
1 245 . 10 2 1 A 23 23 HIS CA C 23 59.328 58.018 1.310 1
1 246 . 10 2 1 A 23 23 HIS CB C 23 29.518 41.352 -11.834 1
1 247 . 10 2 1 A 23 23 HIS N N 23 118.108 119.719 -1.611 1
1 248 . 10 2 1 A 24 24 LEU H H 24 8.751 8.405 0.346 1
1 249 . 10 2 1 A 24 24 LEU HA H 24 3.928 3.843 0.085 1
1 259 . 10 2 1 A 24 24 LEU CA C 24 58.226 59.992 -1.766 1
1 260 . 10 2 1 A 24 24 LEU CB C 24 43.778 29.174 14.604 1
1 264 . 10 2 1 A 24 24 LEU N N 24 120.548 120.025 0.523 1
1 265 . 10 2 1 A 25 25 GLU H H 25 8.830 8.026 0.804 1
1 266 . 10 2 1 A 25 25 GLU HA H 25 3.926 4.437 -0.511 1
1 271 . 10 2 1 A 25 25 GLU CA C 25 60.114 55.745 4.369 1
1 272 . 10 2 1 A 25 25 GLU CB C 25 29.339 37.813 -8.474 1
1 274 . 10 2 1 A 25 25 GLU N N 25 119.875 118.534 1.341 1
1 275 . 10 2 1 A 26 26 ASN H H 26 7.774 8.478 -0.704 1
1 276 . 10 2 1 A 26 26 ASN HA H 26 4.435 4.111 0.324 1
1 281 . 10 2 1 A 26 26 ASN CA C 26 56.238 58.855 -2.617 1
1 282 . 10 2 1 A 26 26 ASN CB C 26 37.945 29.682 8.263 1
1 283 . 10 2 1 A 26 26 ASN N N 26 119.022 119.776 -0.754 1
1 285 . 10 2 1 A 27 27 GLU H H 27 8.179 8.434 -0.255 1
1 286 . 10 2 1 A 27 27 GLU HA H 27 4.436 3.844 0.592 1
1 291 . 10 2 1 A 27 27 GLU CA C 27 58.674 64.702 -6.028 1
1 292 . 10 2 1 A 27 27 GLU CB C 27 30.279 31.443 -1.164 1
1 294 . 10 2 1 A 27 27 GLU N N 27 124.075 119.177 4.898 1
1 295 . 10 2 1 A 28 28 VAL H H 28 8.731 8.051 0.680 1
1 296 . 10 2 1 A 28 28 VAL HA H 28 3.385 3.940 -0.555 1
1 304 . 10 2 1 A 28 28 VAL CA C 28 67.756 55.614 12.142 1
1 305 . 10 2 1 A 28 28 VAL CB C 28 31.732 18.255 13.477 1
1 308 . 10 2 1 A 28 28 VAL N N 28 120.425 123.520 -3.095 1
1 309 . 10 2 1 A 29 29 ALA H H 29 7.767 7.887 -0.120 1
1 310 . 10 2 1 A 29 29 ALA HA H 29 4.010 4.030 -0.020 1
1 314 . 10 2 1 A 29 29 ALA CA C 29 55.524 59.535 -4.011 1
1 315 . 10 2 1 A 29 29 ALA CB C 29 18.122 29.577 -11.455 1
1 316 . 10 2 1 A 29 29 ALA N N 29 120.034 119.294 0.740 1
1 317 . 10 2 1 A 30 30 ARG H H 30 7.994 8.390 -0.396 1
1 318 . 10 2 1 A 30 30 ARG HA H 30 3.965 4.027 -0.062 1
1 325 . 10 2 1 A 30 30 ARG CA C 30 59.663 57.940 1.723 1
1 326 . 10 2 1 A 30 30 ARG CB C 30 30.860 41.739 -10.879 1
1 329 . 10 2 1 A 30 30 ARG N N 30 119.884 120.999 -1.115 1
1 330 . 10 2 1 A 31 31 LEU H H 31 8.516 8.702 -0.186 1
1 331 . 10 2 1 A 31 31 LEU HA H 31 3.964 4.020 -0.056 1
1 341 . 10 2 1 A 31 31 LEU CA C 31 58.141 59.092 -0.951 1
1 342 . 10 2 1 A 31 31 LEU CB C 31 44.129 31.816 12.313 1
1 346 . 10 2 1 A 31 31 LEU N N 31 120.609 117.407 3.202 1
1 347 . 10 2 1 A 32 32 LYS H H 32 9.048 7.643 1.405 1
1 348 . 10 2 1 A 32 32 LYS HA H 32 3.822 4.153 -0.331 1
1 357 . 10 2 1 A 32 32 LYS CA C 32 60.976 59.280 1.696 1
1 358 . 10 2 1 A 32 32 LYS CB C 32 32.591 32.358 0.233 1
1 362 . 10 2 1 A 32 32 LYS N N 32 118.822 119.447 -0.625 1
1 363 . 10 2 1 A 33 33 LYS H H 33 7.381 7.873 -0.492 1
1 364 . 10 2 1 A 33 33 LYS HA H 33 4.141 4.022 0.119 1
1 373 . 10 2 1 A 33 33 LYS CA C 33 58.987 58.128 0.859 1
1 374 . 10 2 1 A 33 33 LYS CB C 33 32.372 41.672 -9.300 1
1 378 . 10 2 1 A 33 33 LYS N N 33 117.698 120.970 -3.272 1
1 379 . 10 2 1 A 34 34 LEU H H 34 7.475 8.477 -1.002 1
1 380 . 10 2 1 A 34 34 LEU HA H 34 4.185 3.724 0.461 1
1 390 . 10 2 1 A 34 34 LEU CA C 34 57.475 65.932 -8.457 1
1 391 . 10 2 1 A 34 34 LEU CB C 34 42.687 31.296 11.391 1
1 395 . 10 2 1 A 34 34 LEU N N 34 118.971 118.550 0.421 1
1 396 . 10 2 1 A 35 35 VAL H H 35 7.794 8.061 -0.267 1
1 405 . 10 2 1 A 35 35 VAL CA C 35 62.990 47.232 15.758 1
1 409 . 10 2 1 A 35 35 VAL N N 35 113.834 108.995 4.839 1
1 410 . 10 2 1 A 36 36 GLY H H 36 7.873 7.982 -0.109 1
1 413 . 10 2 1 A 36 36 GLY CA C 36 45.946 58.655 -12.709 1
1 414 . 10 2 1 A 36 36 GLY N N 36 109.267 116.639 -7.372 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 6.187 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 11.882 1
4 1 1 1 "RMS(OBS, PRED)" H 35 0.503 1
5 1 1 1 "RMS(OBS, PRED)" HA 31 0.321 1
6 1 1 1 "RMS(OBS, PRED)" N 35 5.272 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 6.321 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 11.862 1
10 1 2 1 "RMS(OBS, PRED)" H 35 0.432 1
11 1 2 1 "RMS(OBS, PRED)" HA 31 0.336 1
12 1 2 1 "RMS(OBS, PRED)" N 35 4.709 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 6.511 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 11.935 1
16 1 3 1 "RMS(OBS, PRED)" H 35 0.460 1
17 1 3 1 "RMS(OBS, PRED)" HA 31 0.316 1
18 1 3 1 "RMS(OBS, PRED)" N 35 4.469 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 6.281 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 11.973 1
22 1 4 1 "RMS(OBS, PRED)" H 35 0.458 1
23 1 4 1 "RMS(OBS, PRED)" HA 31 0.333 1
24 1 4 1 "RMS(OBS, PRED)" N 35 4.437 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 6.455 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 11.945 1
28 1 5 1 "RMS(OBS, PRED)" H 35 0.421 1
29 1 5 1 "RMS(OBS, PRED)" HA 31 0.346 1
30 1 5 1 "RMS(OBS, PRED)" N 35 3.974 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 6.072 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 11.900 1
34 1 6 1 "RMS(OBS, PRED)" H 35 0.448 1
35 1 6 1 "RMS(OBS, PRED)" HA 31 0.322 1
36 1 6 1 "RMS(OBS, PRED)" N 35 5.012 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 6.218 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 11.969 1
40 1 7 1 "RMS(OBS, PRED)" H 35 0.533 1
41 1 7 1 "RMS(OBS, PRED)" HA 31 0.333 1
42 1 7 1 "RMS(OBS, PRED)" N 35 4.790 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 6.216 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 11.911 1
46 1 8 1 "RMS(OBS, PRED)" H 35 0.510 1
47 1 8 1 "RMS(OBS, PRED)" HA 31 0.322 1
48 1 8 1 "RMS(OBS, PRED)" N 35 4.655 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 5.921 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 11.931 1
52 1 9 1 "RMS(OBS, PRED)" H 35 0.438 1
53 1 9 1 "RMS(OBS, PRED)" HA 31 0.319 1
54 1 9 1 "RMS(OBS, PRED)" N 35 4.462 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 6.453 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 11.890 1
58 1 10 1 "RMS(OBS, PRED)" H 35 0.519 1
59 1 10 1 "RMS(OBS, PRED)" HA 31 0.327 1
60 1 10 1 "RMS(OBS, PRED)" N 35 4.472 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 3 . 2 1 A 1 1 GLY CA C 1 43.523 51.496 -7.973 2
1 4 . 2 1 A 2 2 ALA H H 2 8.725 8.328 0.397 2
1 9 . 2 1 A 2 2 ALA CA C 2 52.891 45.795 7.096 2
1 11 . 2 1 A 2 2 ALA N N 2 124.084 108.176 15.908 2
1 12 . 2 1 A 3 3 GLY H H 3 8.647 8.570 0.077 2
1 15 . 2 1 A 3 3 GLY CA C 3 45.438 60.941 -15.503 2
1 16 . 2 1 A 3 3 GLY N N 3 108.827 117.333 -8.506 2
1 17 . 2 1 A 4 4 SER H H 4 8.311 8.149 0.163 2
1 18 . 2 1 A 4 4 SER HA H 4 4.493 4.165 0.328 2
1 21 . 2 1 A 4 4 SER CA C 4 58.607 61.428 -2.821 2
1 22 . 2 1 A 4 4 SER CB C 4 63.715 62.886 0.829 2
1 23 . 2 1 A 4 4 SER N N 4 115.868 118.290 -2.422 2
1 24 . 2 1 A 5 5 SER H H 5 8.620 7.992 0.628 2
1 25 . 2 1 A 5 5 SER HA H 5 4.469 4.144 0.325 2
1 28 . 2 1 A 5 5 SER CA C 5 59.103 62.044 -2.941 2
1 29 . 2 1 A 5 5 SER CB C 5 63.474 63.001 0.473 2
1 30 . 2 1 A 5 5 SER N N 5 118.963 117.460 1.503 2
1 31 . 2 1 A 6 6 SER H H 6 8.490 8.139 0.351 2
1 32 . 2 1 A 6 6 SER HA H 6 4.388 4.047 0.341 2
1 35 . 2 1 A 6 6 SER CA C 6 59.989 58.128 1.861 2
1 36 . 2 1 A 6 6 SER CB C 6 63.455 41.707 21.748 2
1 37 . 2 1 A 6 6 SER N N 6 119.176 122.486 -3.310 2
1 38 . 2 1 A 7 7 LEU H H 7 8.281 8.456 -0.175 2
1 39 . 2 1 A 7 7 LEU HA H 7 4.129 3.976 0.153 2
1 49 . 2 1 A 7 7 LEU CA C 7 57.627 59.574 -1.947 2
1 50 . 2 1 A 7 7 LEU CB C 7 41.789 29.193 12.596 2
1 54 . 2 1 A 7 7 LEU N N 7 123.537 118.950 4.588 2
1 55 . 2 1 A 8 8 GLU H H 8 8.192 8.029 0.163 2
1 56 . 2 1 A 8 8 GLU HA H 8 4.028 4.062 -0.034 2
1 61 . 2 1 A 8 8 GLU CA C 8 59.357 55.147 4.210 2
1 62 . 2 1 A 8 8 GLU CB C 8 29.135 18.517 10.618 2
1 64 . 2 1 A 8 8 GLU N N 8 118.872 122.338 -3.466 2
1 65 . 2 1 A 9 9 ALA H H 9 7.973 8.094 -0.121 2
1 66 . 2 1 A 9 9 ALA HA H 9 4.090 3.448 0.642 2
1 70 . 2 1 A 9 9 ALA CA C 9 55.445 66.503 -11.058 2
1 71 . 2 1 A 9 9 ALA CB C 9 18.235 31.496 -13.261 2
1 72 . 2 1 A 9 9 ALA N N 9 121.399 118.062 3.337 2
1 73 . 2 1 A 10 10 VAL H H 10 7.889 8.224 -0.335 2
1 74 . 2 1 A 10 10 VAL HA H 10 3.731 3.943 -0.212 2
1 82 . 2 1 A 10 10 VAL CA C 10 66.289 59.841 6.448 2
1 83 . 2 1 A 10 10 VAL CB C 10 31.617 29.870 1.747 2
1 86 . 2 1 A 10 10 VAL N N 10 119.522 120.089 -0.567 2
1 87 . 2 1 A 11 11 ARG H H 11 8.299 8.216 0.083 2
1 88 . 2 1 A 11 11 ARG HA H 11 3.844 4.034 -0.189 2
1 95 . 2 1 A 11 11 ARG CA C 11 60.565 59.144 1.421 2
1 96 . 2 1 A 11 11 ARG CB C 11 30.302 29.892 0.410 2
1 99 . 2 1 A 11 11 ARG N N 11 120.475 119.345 1.130 2
1 100 . 2 1 A 12 12 ARG H H 12 8.183 7.873 0.310 2
1 101 . 2 1 A 12 12 ARG HA H 12 3.998 4.085 -0.087 2
1 108 . 2 1 A 12 12 ARG CA C 12 59.526 59.301 0.225 2
1 109 . 2 1 A 12 12 ARG CB C 12 30.264 32.240 -1.977 2
1 112 . 2 1 A 12 12 ARG N N 12 118.440 119.132 -0.692 2
1 113 . 2 1 A 13 13 LYS H H 13 7.972 7.987 -0.015 2
1 114 . 2 1 A 13 13 LYS HA H 13 4.147 3.844 0.303 2
1 123 . 2 1 A 13 13 LYS CA C 13 59.104 63.875 -4.771 2
1 124 . 2 1 A 13 13 LYS CB C 13 32.697 37.261 -4.564 2
1 128 . 2 1 A 13 13 LYS N N 13 122.454 118.071 4.383 2
1 129 . 2 1 A 14 14 ILE H H 14 8.291 8.037 0.254 2
1 130 . 2 1 A 14 14 ILE HA H 14 3.526 3.975 -0.449 2
1 140 . 2 1 A 14 14 ILE CA C 14 66.269 59.616 6.653 2
1 141 . 2 1 A 14 14 ILE CB C 14 37.845 29.937 7.908 2
1 145 . 2 1 A 14 14 ILE N N 14 119.298 122.123 -2.825 2
1 146 . 2 1 A 15 15 ARG H H 15 8.047 7.931 0.116 2
1 147 . 2 1 A 15 15 ARG HA H 15 4.250 4.201 0.049 2
1 154 . 2 1 A 15 15 ARG CA C 15 59.244 61.735 -2.491 2
1 155 . 2 1 A 15 15 ARG CB C 15 29.793 62.930 -33.137 2
1 158 . 2 1 A 15 15 ARG N N 15 120.923 114.829 6.094 2
1 159 . 2 1 A 16 16 SER H H 16 8.374 8.435 -0.061 2
1 160 . 2 1 A 16 16 SER HA H 16 4.344 3.946 0.398 2
1 163 . 2 1 A 16 16 SER CA C 16 61.861 58.002 3.859 2
1 164 . 2 1 A 16 16 SER CB C 16 62.882 41.394 21.488 2
1 165 . 2 1 A 16 16 SER N N 16 114.520 122.233 -7.713 2
1 166 . 2 1 A 17 17 LEU H H 17 8.135 8.345 -0.210 2
1 167 . 2 1 A 17 17 LEU HA H 17 4.096 3.896 0.200 2
1 177 . 2 1 A 17 17 LEU CA C 17 58.197 59.207 -1.010 2
1 178 . 2 1 A 17 17 LEU CB C 17 43.647 28.352 15.295 2
1 182 . 2 1 A 17 17 LEU N N 17 122.938 117.825 5.114 2
1 183 . 2 1 A 18 18 GLN H H 18 8.649 8.223 0.426 2
1 184 . 2 1 A 18 18 GLN HA H 18 3.965 4.095 -0.130 2
1 191 . 2 1 A 18 18 GLN CA C 18 59.450 59.490 -0.040 2
1 192 . 2 1 A 18 18 GLN CB C 18 28.710 29.128 -0.418 2
1 194 . 2 1 A 18 18 GLN N N 18 119.456 120.229 -0.773 2
1 196 . 2 1 A 19 19 GLU H H 19 8.500 8.177 0.323 2
1 197 . 2 1 A 19 19 GLU HA H 19 4.120 4.045 0.075 2
1 202 . 2 1 A 19 19 GLU CA C 19 59.647 58.936 0.711 2
1 203 . 2 1 A 19 19 GLU CB C 19 29.625 28.302 1.323 2
1 205 . 2 1 A 19 19 GLU N N 19 120.612 119.111 1.501 2
1 206 . 2 1 A 20 20 GLN H H 20 8.424 8.550 -0.127 2
1 207 . 2 1 A 20 20 GLN HA H 20 4.285 4.429 -0.144 2
1 214 . 2 1 A 20 20 GLN CA C 20 58.982 56.186 2.796 2
1 215 . 2 1 A 20 20 GLN CB C 20 28.787 38.322 -9.535 2
1 217 . 2 1 A 20 20 GLN N N 20 120.205 118.185 2.020 2
1 219 . 2 1 A 21 21 ASN H H 21 8.563 8.175 0.388 2
1 220 . 2 1 A 21 21 ASN HA H 21 4.383 4.285 0.098 2
1 225 . 2 1 A 21 21 ASN CA C 21 57.475 61.037 -3.562 2
1 226 . 2 1 A 21 21 ASN CB C 21 38.667 38.243 0.424 2
1 227 . 2 1 A 21 21 ASN N N 21 120.117 121.047 -0.930 2
1 229 . 2 1 A 22 22 TYR H H 22 8.115 8.350 -0.235 2
1 230 . 2 1 A 22 22 TYR HA H 22 4.394 4.306 0.088 2
1 237 . 2 1 A 22 22 TYR CA C 22 60.646 59.722 0.924 2
1 238 . 2 1 A 22 22 TYR CB C 22 37.993 30.083 7.910 2
1 239 . 2 1 A 22 22 TYR N N 22 120.082 119.246 0.836 2
1 240 . 2 1 A 23 23 HIS H H 23 8.025 8.739 -0.714 2
1 241 . 2 1 A 23 23 HIS HA H 23 4.402 3.877 0.525 2
1 245 . 2 1 A 23 23 HIS CA C 23 59.328 57.956 1.372 2
1 246 . 2 1 A 23 23 HIS CB C 23 29.518 41.359 -11.841 2
1 247 . 2 1 A 23 23 HIS N N 23 118.108 119.589 -1.481 2
1 248 . 2 1 A 24 24 LEU H H 24 8.751 8.546 0.205 2
1 249 . 2 1 A 24 24 LEU HA H 24 3.928 3.904 0.024 2
1 259 . 2 1 A 24 24 LEU CA C 24 58.226 59.853 -1.627 2
1 260 . 2 1 A 24 24 LEU CB C 24 43.778 29.177 14.601 2
1 264 . 2 1 A 24 24 LEU N N 24 120.548 119.475 1.073 2
1 265 . 2 1 A 25 25 GLU H H 25 8.830 8.161 0.669 2
1 266 . 2 1 A 25 25 GLU HA H 25 3.926 4.416 -0.490 2
1 271 . 2 1 A 25 25 GLU CA C 25 60.114 56.026 4.088 2
1 272 . 2 1 A 25 25 GLU CB C 25 29.339 37.861 -8.522 2
1 274 . 2 1 A 25 25 GLU N N 25 119.875 118.202 1.673 2
1 275 . 2 1 A 26 26 ASN H H 26 7.774 8.179 -0.405 2
1 276 . 2 1 A 26 26 ASN HA H 26 4.435 4.057 0.378 2
1 281 . 2 1 A 26 26 ASN CA C 26 56.238 58.893 -2.655 2
1 282 . 2 1 A 26 26 ASN CB C 26 37.945 29.608 8.337 2
1 283 . 2 1 A 26 26 ASN N N 26 119.022 119.774 -0.752 2
1 285 . 2 1 A 27 27 GLU H H 27 8.179 8.571 -0.392 2
1 286 . 2 1 A 27 27 GLU HA H 27 4.436 3.794 0.642 2
1 291 . 2 1 A 27 27 GLU CA C 27 58.674 65.143 -6.469 2
1 292 . 2 1 A 27 27 GLU CB C 27 30.279 31.398 -1.119 2
1 294 . 2 1 A 27 27 GLU N N 27 124.075 119.243 4.832 2
1 295 . 2 1 A 28 28 VAL H H 28 8.731 8.087 0.644 2
1 296 . 2 1 A 28 28 VAL HA H 28 3.385 3.935 -0.550 2
1 304 . 2 1 A 28 28 VAL CA C 28 67.756 55.628 12.128 2
1 305 . 2 1 A 28 28 VAL CB C 28 31.732 18.290 13.442 2
1 308 . 2 1 A 28 28 VAL N N 28 120.425 123.128 -2.703 2
1 309 . 2 1 A 29 29 ALA H H 29 7.767 7.857 -0.090 2
1 310 . 2 1 A 29 29 ALA HA H 29 4.010 4.045 -0.035 2
1 314 . 2 1 A 29 29 ALA CA C 29 55.524 59.011 -3.487 2
1 315 . 2 1 A 29 29 ALA CB C 29 18.122 29.798 -11.676 2
1 316 . 2 1 A 29 29 ALA N N 29 120.034 118.706 1.328 2
1 317 . 2 1 A 30 30 ARG H H 30 7.994 8.232 -0.238 2
1 318 . 2 1 A 30 30 ARG HA H 30 3.965 4.001 -0.036 2
1 325 . 2 1 A 30 30 ARG CA C 30 59.663 58.024 1.639 2
1 326 . 2 1 A 30 30 ARG CB C 30 30.860 41.627 -10.767 2
1 329 . 2 1 A 30 30 ARG N N 30 119.884 120.762 -0.878 2
1 330 . 2 1 A 31 31 LEU H H 31 8.516 8.583 -0.067 2
1 331 . 2 1 A 31 31 LEU HA H 31 3.964 4.053 -0.089 2
1 341 . 2 1 A 31 31 LEU CA C 31 58.141 58.839 -0.698 2
1 342 . 2 1 A 31 31 LEU CB C 31 44.129 31.650 12.479 2
1 346 . 2 1 A 31 31 LEU N N 31 120.609 118.086 2.523 2
1 347 . 2 1 A 32 32 LYS H H 32 9.048 7.712 1.336 2
1 348 . 2 1 A 32 32 LYS HA H 32 3.822 4.150 -0.328 2
1 357 . 2 1 A 32 32 LYS CA C 32 60.976 59.120 1.856 2
1 358 . 2 1 A 32 32 LYS CB C 32 32.591 32.060 0.531 2
1 362 . 2 1 A 32 32 LYS N N 32 118.822 119.714 -0.892 2
1 363 . 2 1 A 33 33 LYS H H 33 7.381 7.817 -0.436 2
1 364 . 2 1 A 33 33 LYS HA H 33 4.141 4.052 0.089 2
1 373 . 2 1 A 33 33 LYS CA C 33 58.987 58.057 0.930 2
1 374 . 2 1 A 33 33 LYS CB C 33 32.372 41.780 -9.408 2
1 378 . 2 1 A 33 33 LYS N N 33 117.698 120.948 -3.250 2
1 379 . 2 1 A 34 34 LEU H H 34 7.475 8.192 -0.717 2
1 380 . 2 1 A 34 34 LEU HA H 34 4.185 3.798 0.387 2
1 390 . 2 1 A 34 34 LEU CA C 34 57.475 65.674 -8.199 2
1 391 . 2 1 A 34 34 LEU CB C 34 42.687 31.482 11.205 2
1 395 . 2 1 A 34 34 LEU N N 34 118.971 118.322 0.649 2
1 396 . 2 1 A 35 35 VAL H H 35 7.794 8.073 -0.279 2
1 405 . 2 1 A 35 35 VAL CA C 35 62.990 46.961 16.029 2
1 409 . 2 1 A 35 35 VAL N N 35 113.834 108.963 4.871 2
1 410 . 2 1 A 36 36 GLY H H 36 7.873 7.867 0.006 2
1 413 . 2 1 A 36 36 GLY CA C 36 45.946 57.371 -11.425 2
1 414 . 2 1 A 36 36 GLY N N 36 109.267 117.622 -8.355 2
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