data_10214_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10214
_Entry.PDB_ID 2YSE
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 5 5 SER N N 5 115.829 116.584 -0.755 1
1 2 . 1 1 1 A 5 5 SER CA C 5 58.317 60.980 -2.663 1
1 3 . 1 1 1 A 5 5 SER CB C 5 63.703 63.114 0.589 1
1 4 . 1 1 1 A 5 5 SER C C 5 174.849 174.290 0.559 1
1 5 . 1 1 1 A 6 6 SER N N 6 117.994 112.296 5.698 1
1 6 . 1 1 1 A 6 6 SER CA C 6 58.677 57.258 1.419 1
1 7 . 1 1 1 A 6 6 SER HA H 6 4.501 4.656 -0.155 1
1 8 . 1 1 1 A 6 6 SER CB C 6 63.732 64.766 -1.034 1
1 10 . 1 1 1 A 6 6 SER C C 6 175.043 174.705 0.338 1
1 11 . 1 1 1 A 7 7 GLY N N 7 110.716 110.421 0.295 1
1 12 . 1 1 1 A 7 7 GLY H H 7 8.429 8.755 -0.326 1
1 13 . 1 1 1 A 7 7 GLY CA C 7 45.403 46.220 -0.817 1
1 14 . 1 1 1 A 7 7 GLY HA2 H 7 3.976 4.205 -0.229 1
1 15 . 1 1 1 A 7 7 GLY HA3 H 7 3.976 4.216 -0.240 1
1 16 . 1 1 1 A 7 7 GLY C C 7 174.231 174.703 -0.472 1
1 17 . 1 1 1 A 8 8 LEU N N 8 121.547 119.924 1.623 1
1 18 . 1 1 1 A 8 8 LEU H H 8 8.132 7.885 0.247 1
1 19 . 1 1 1 A 8 8 LEU CA C 8 55.233 54.768 0.465 1
1 20 . 1 1 1 A 8 8 LEU HA H 8 4.356 4.396 -0.040 1
1 21 . 1 1 1 A 8 8 LEU CB C 8 42.416 41.415 1.001 1
1 31 . 1 1 1 A 8 8 LEU C C 8 177.479 176.496 0.983 1
1 32 . 1 1 1 A 9 9 ASP N N 9 120.983 119.891 1.092 1
1 33 . 1 1 1 A 9 9 ASP H H 9 8.413 7.745 0.668 1
1 34 . 1 1 1 A 9 9 ASP CA C 9 54.826 52.958 1.868 1
1 35 . 1 1 1 A 9 9 ASP HA H 9 4.555 5.181 -0.626 1
1 36 . 1 1 1 A 9 9 ASP CB C 9 40.967 42.746 -1.779 1
1 39 . 1 1 1 A 9 9 ASP C C 9 176.609 175.045 1.564 1
1 40 . 1 1 1 A 10 10 SER N N 10 115.538 113.944 1.594 1
1 41 . 1 1 1 A 10 10 SER H H 10 8.146 8.553 -0.407 1
1 42 . 1 1 1 A 10 10 SER CA C 10 58.926 57.044 1.882 1
1 43 . 1 1 1 A 10 10 SER HA H 10 4.361 4.787 -0.426 1
1 44 . 1 1 1 A 10 10 SER CB C 10 63.924 65.846 -1.922 1
1 47 . 1 1 1 A 10 10 SER C C 10 174.922 174.842 0.080 1
1 48 . 1 1 1 A 11 11 GLU N N 11 122.324 120.349 1.975 1
1 49 . 1 1 1 A 11 11 GLU H H 11 8.416 9.233 -0.817 1
1 50 . 1 1 1 A 11 11 GLU CA C 11 56.763 59.033 -2.270 1
1 51 . 1 1 1 A 11 11 GLU HA H 11 4.262 3.738 0.524 1
1 52 . 1 1 1 A 11 11 GLU CB C 11 29.860 29.191 0.669 1
1 58 . 1 1 1 A 11 11 GLU C C 11 176.347 176.658 -0.311 1
1 59 . 1 1 1 A 12 12 LEU N N 12 121.580 116.972 4.608 1
1 60 . 1 1 1 A 12 12 LEU H H 12 7.957 7.964 -0.007 1
1 61 . 1 1 1 A 12 12 LEU CA C 12 54.921 56.286 -1.365 1
1 62 . 1 1 1 A 12 12 LEU HA H 12 4.311 3.865 0.446 1
1 63 . 1 1 1 A 12 12 LEU CB C 12 42.313 40.540 1.773 1
1 76 . 1 1 1 A 12 12 LEU C C 12 176.945 175.982 0.963 1
1 77 . 1 1 1 A 13 13 GLU N N 13 122.146 110.034 12.112 1
1 78 . 1 1 1 A 13 13 GLU H H 13 8.088 8.449 -0.361 1
1 79 . 1 1 1 A 13 13 GLU CA C 13 56.222 57.112 -0.890 1
1 80 . 1 1 1 A 13 13 GLU HA H 13 4.236 3.833 0.403 1
1 81 . 1 1 1 A 13 13 GLU CB C 13 30.332 27.464 2.868 1
1 86 . 1 1 1 A 13 13 GLU C C 13 175.667 175.872 -0.205 1
1 87 . 1 1 1 A 14 14 LEU N N 14 123.302 120.294 3.008 1
1 88 . 1 1 1 A 14 14 LEU H H 14 8.331 7.816 0.515 1
1 89 . 1 1 1 A 14 14 LEU CA C 14 52.689 53.744 -1.055 1
1 90 . 1 1 1 A 14 14 LEU HA H 14 4.376 4.072 0.304 1
1 91 . 1 1 1 A 14 14 LEU CB C 14 41.859 41.219 0.640 1
1 104 . 1 1 1 A 14 14 LEU C C 14 174.694 177.209 -2.515 1
1 105 . 1 1 1 A 15 15 PRO CA C 15 61.808 65.900 -4.092 1
1 106 . 1 1 1 A 15 15 PRO HA H 15 4.509 4.421 0.088 1
1 107 . 1 1 1 A 15 15 PRO CB C 15 31.501 31.540 -0.039 1
1 116 . 1 1 1 A 15 15 PRO C C 15 175.733 176.510 -0.777 1
1 117 . 1 1 1 A 16 16 ALA N N 16 123.226 117.060 6.166 1
1 118 . 1 1 1 A 16 16 ALA H H 16 8.427 8.045 0.382 1
1 119 . 1 1 1 A 16 16 ALA CA C 16 53.836 51.489 2.347 1
1 120 . 1 1 1 A 16 16 ALA HA H 16 4.235 4.795 -0.560 1
1 121 . 1 1 1 A 16 16 ALA CB C 16 18.391 22.773 -4.382 1
1 125 . 1 1 1 A 16 16 ALA C C 16 178.641 177.094 1.547 1
1 126 . 1 1 1 A 17 17 GLY N N 17 110.263 109.937 0.326 1
1 127 . 1 1 1 A 17 17 GLY H H 17 8.816 8.758 0.058 1
1 128 . 1 1 1 A 17 17 GLY CA C 17 45.465 46.044 -0.579 1
1 129 . 1 1 1 A 17 17 GLY HA2 H 17 3.759 3.757 0.002 1
1 130 . 1 1 1 A 17 17 GLY HA3 H 17 4.261 3.884 0.377 1
1 131 . 1 1 1 A 17 17 GLY C C 17 173.251 173.616 -0.365 1
1 132 . 1 1 1 A 18 18 TRP N N 18 118.263 119.269 -1.006 1
1 133 . 1 1 1 A 18 18 TRP H H 18 7.782 7.945 -0.163 1
1 134 . 1 1 1 A 18 18 TRP CA C 18 56.679 55.986 0.693 1
1 135 . 1 1 1 A 18 18 TRP HA H 18 5.840 5.138 0.702 1
1 136 . 1 1 1 A 18 18 TRP CB C 18 32.215 32.830 -0.615 1
1 151 . 1 1 1 A 18 18 TRP C C 18 177.038 174.988 2.050 1
1 152 . 1 1 1 A 19 19 GLU N N 19 122.023 123.363 -1.340 1
1 153 . 1 1 1 A 19 19 GLU H H 19 9.480 8.705 0.775 1
1 154 . 1 1 1 A 19 19 GLU CA C 19 55.126 55.228 -0.102 1
1 155 . 1 1 1 A 19 19 GLU HA H 19 4.679 5.099 -0.420 1
1 156 . 1 1 1 A 19 19 GLU CB C 19 34.865 33.383 1.482 1
1 162 . 1 1 1 A 19 19 GLU C C 19 173.752 175.038 -1.286 1
1 163 . 1 1 1 A 20 20 LYS N N 20 127.008 128.350 -1.342 1
1 164 . 1 1 1 A 20 20 LYS H H 20 8.848 8.685 0.163 1
1 165 . 1 1 1 A 20 20 LYS CA C 20 55.531 56.467 -0.936 1
1 166 . 1 1 1 A 20 20 LYS HA H 20 4.379 4.686 -0.307 1
1 167 . 1 1 1 A 20 20 LYS CB C 20 33.946 33.071 0.875 1
1 178 . 1 1 1 A 20 20 LYS C C 20 174.530 174.933 -0.403 1
1 179 . 1 1 1 A 21 21 ILE N N 21 130.740 129.127 1.613 1
1 180 . 1 1 1 A 21 21 ILE H H 21 8.894 9.040 -0.146 1
1 181 . 1 1 1 A 21 21 ILE CA C 21 58.996 59.976 -0.980 1
1 182 . 1 1 1 A 21 21 ILE HA H 21 4.035 4.466 -0.431 1
1 183 . 1 1 1 A 21 21 ILE CB C 21 38.249 38.085 0.164 1
1 196 . 1 1 1 A 21 21 ILE C C 21 173.612 174.437 -0.825 1
1 197 . 1 1 1 A 22 22 GLU N N 22 124.546 127.623 -3.077 1
1 198 . 1 1 1 A 22 22 GLU H H 22 8.273 8.822 -0.549 1
1 199 . 1 1 1 A 22 22 GLU CA C 22 54.652 55.320 -0.668 1
1 200 . 1 1 1 A 22 22 GLU HA H 22 4.429 4.676 -0.247 1
1 201 . 1 1 1 A 22 22 GLU CB C 22 29.876 30.900 -1.024 1
1 207 . 1 1 1 A 22 22 GLU C C 22 174.548 175.159 -0.611 1
1 208 . 1 1 1 A 23 23 ASP N N 23 128.325 126.032 2.293 1
1 209 . 1 1 1 A 23 23 ASP H H 23 8.368 8.876 -0.508 1
1 210 . 1 1 1 A 23 23 ASP CA C 23 51.555 50.507 1.048 1
1 211 . 1 1 1 A 23 23 ASP HA H 23 5.093 5.198 -0.105 1
1 212 . 1 1 1 A 23 23 ASP CB C 23 45.902 42.546 3.356 1
1 215 . 1 1 1 A 23 23 ASP C C 23 175.729 176.175 -0.446 1
1 216 . 1 1 1 A 24 24 PRO CA C 24 64.824 64.891 -0.067 1
1 217 . 1 1 1 A 24 24 PRO HA H 24 4.356 4.449 -0.093 1
1 218 . 1 1 1 A 24 24 PRO CB C 24 32.297 32.186 0.111 1
1 227 . 1 1 1 A 24 24 PRO C C 24 176.540 177.909 -1.369 1
1 228 . 1 1 1 A 25 25 VAL N N 25 118.640 116.104 2.536 1
1 229 . 1 1 1 A 25 25 VAL H H 25 8.485 7.808 0.677 1
1 230 . 1 1 1 A 25 25 VAL CA C 25 64.125 64.140 -0.015 1
1 231 . 1 1 1 A 25 25 VAL HA H 25 3.856 3.937 -0.081 1
1 232 . 1 1 1 A 25 25 VAL CB C 25 33.098 32.478 0.620 1
1 242 . 1 1 1 A 25 25 VAL C C 25 177.626 177.410 0.216 1
1 243 . 1 1 1 A 26 26 TYR N N 26 117.602 117.139 0.463 1
1 244 . 1 1 1 A 26 26 TYR H H 26 8.632 8.322 0.310 1
1 245 . 1 1 1 A 26 26 TYR CA C 26 59.189 59.398 -0.209 1
1 246 . 1 1 1 A 26 26 TYR HA H 26 4.469 4.504 -0.035 1
1 247 . 1 1 1 A 26 26 TYR CB C 26 39.193 38.852 0.341 1
1 258 . 1 1 1 A 26 26 TYR C C 26 176.124 176.565 -0.441 1
1 259 . 1 1 1 A 27 27 GLY N N 27 110.042 106.620 3.422 1
1 260 . 1 1 1 A 27 27 GLY H H 27 8.181 7.966 0.215 1
1 261 . 1 1 1 A 27 27 GLY CA C 27 44.979 44.709 0.270 1
1 262 . 1 1 1 A 27 27 GLY HA2 H 27 3.890 4.127 -0.237 1
1 263 . 1 1 1 A 27 27 GLY HA3 H 27 4.390 4.153 0.237 1
1 264 . 1 1 1 A 27 27 GLY C C 27 173.043 173.247 -0.204 1
1 265 . 1 1 1 A 28 28 ILE N N 28 121.278 121.268 0.010 1
1 266 . 1 1 1 A 28 28 ILE H H 28 8.259 8.201 0.058 1
1 267 . 1 1 1 A 28 28 ILE CA C 28 60.867 60.822 0.045 1
1 268 . 1 1 1 A 28 28 ILE HA H 28 4.900 4.824 0.076 1
1 269 . 1 1 1 A 28 28 ILE CB C 28 38.763 38.516 0.247 1
1 282 . 1 1 1 A 28 28 ILE C C 28 176.805 174.924 1.881 1
1 283 . 1 1 1 A 29 29 TYR N N 29 124.534 123.795 0.739 1
1 284 . 1 1 1 A 29 29 TYR H H 29 8.822 8.583 0.239 1
1 285 . 1 1 1 A 29 29 TYR CA C 29 56.332 55.303 1.029 1
1 286 . 1 1 1 A 29 29 TYR HA H 29 4.712 4.985 -0.273 1
1 287 . 1 1 1 A 29 29 TYR CB C 29 38.879 41.718 -2.839 1
1 298 . 1 1 1 A 29 29 TYR C C 29 170.710 172.000 -1.290 1
1 299 . 1 1 1 A 30 30 TYR N N 30 116.432 120.371 -3.939 1
1 300 . 1 1 1 A 30 30 TYR H H 30 8.981 8.871 0.110 1
1 301 . 1 1 1 A 30 30 TYR CA C 30 56.921 57.484 -0.563 1
1 302 . 1 1 1 A 30 30 TYR HA H 30 5.417 5.653 -0.236 1
1 303 . 1 1 1 A 30 30 TYR CB C 30 41.603 40.270 1.333 1
1 314 . 1 1 1 A 30 30 TYR C C 30 174.825 174.999 -0.174 1
1 315 . 1 1 1 A 31 31 VAL N N 31 121.385 123.751 -2.366 1
1 316 . 1 1 1 A 31 31 VAL H H 31 9.266 9.145 0.121 1
1 317 . 1 1 1 A 31 31 VAL CA C 31 60.346 59.654 0.692 1
1 318 . 1 1 1 A 31 31 VAL HA H 31 4.610 4.878 -0.268 1
1 319 . 1 1 1 A 31 31 VAL CB C 31 35.393 34.120 1.273 1
1 329 . 1 1 1 A 31 31 VAL C C 31 173.103 173.516 -0.413 1
1 330 . 1 1 1 A 32 32 ASP N N 32 126.129 127.078 -0.949 1
1 331 . 1 1 1 A 32 32 ASP H H 32 8.340 8.746 -0.406 1
1 332 . 1 1 1 A 32 32 ASP CA C 32 51.134 53.569 -2.435 1
1 333 . 1 1 1 A 32 32 ASP HA H 32 3.702 5.049 -1.347 1
1 334 . 1 1 1 A 32 32 ASP CB C 32 39.252 41.338 -2.086 1
1 337 . 1 1 1 A 32 32 ASP C C 32 177.731 175.822 1.909 1
1 338 . 1 1 1 A 33 33 HIS N N 33 121.984 122.280 -0.296 1
1 339 . 1 1 1 A 33 33 HIS H H 33 8.728 8.494 0.234 1
1 340 . 1 1 1 A 33 33 HIS CA C 33 58.404 56.418 1.986 1
1 341 . 1 1 1 A 33 33 HIS HA H 33 4.218 4.615 -0.397 1
1 342 . 1 1 1 A 33 33 HIS CB C 33 30.594 29.222 1.372 1
1 349 . 1 1 1 A 33 33 HIS C C 33 176.844 175.797 1.047 1
1 350 . 1 1 1 A 34 34 ILE N N 34 120.023 117.349 2.674 1
1 351 . 1 1 1 A 34 34 ILE H H 34 8.090 7.494 0.596 1
1 352 . 1 1 1 A 34 34 ILE CA C 34 63.382 62.169 1.213 1
1 353 . 1 1 1 A 34 34 ILE HA H 34 3.845 4.058 -0.213 1
1 354 . 1 1 1 A 34 34 ILE CB C 34 37.023 39.910 -2.887 1
1 367 . 1 1 1 A 34 34 ILE C C 34 177.464 177.294 0.170 1
1 368 . 1 1 1 A 35 35 ASN N N 35 115.543 117.434 -1.891 1
1 369 . 1 1 1 A 35 35 ASN H H 35 7.620 7.691 -0.071 1
1 370 . 1 1 1 A 35 35 ASN CA C 35 53.139 52.849 0.290 1
1 371 . 1 1 1 A 35 35 ASN HA H 35 4.587 4.844 -0.257 1
1 372 . 1 1 1 A 35 35 ASN CB C 35 38.909 38.460 0.449 1
1 378 . 1 1 1 A 35 35 ASN C C 35 173.887 174.049 -0.162 1
1 379 . 1 1 1 A 36 36 ARG N N 36 117.698 116.312 1.386 1
1 380 . 1 1 1 A 36 36 ARG H H 36 7.596 7.808 -0.212 1
1 381 . 1 1 1 A 36 36 ARG CA C 36 56.824 56.946 -0.122 1
1 382 . 1 1 1 A 36 36 ARG HA H 36 3.850 3.899 -0.049 1
1 383 . 1 1 1 A 36 36 ARG CB C 36 26.161 27.858 -1.697 1
1 390 . 1 1 1 A 36 36 ARG C C 36 174.732 174.652 0.080 1
1 391 . 1 1 1 A 37 37 LYS N N 37 117.773 114.632 3.141 1
1 392 . 1 1 1 A 37 37 LYS H H 37 7.471 7.574 -0.103 1
1 393 . 1 1 1 A 37 37 LYS CA C 37 54.528 54.620 -0.092 1
1 394 . 1 1 1 A 37 37 LYS HA H 37 4.795 5.062 -0.267 1
1 395 . 1 1 1 A 37 37 LYS CB C 37 36.493 35.955 0.538 1
1 404 . 1 1 1 A 37 37 LYS C C 37 174.870 175.038 -0.168 1
1 405 . 1 1 1 A 38 38 THR N N 38 114.635 112.240 2.395 1
1 406 . 1 1 1 A 38 38 THR H H 38 8.322 8.740 -0.418 1
1 407 . 1 1 1 A 38 38 THR CA C 38 60.506 60.625 -0.119 1
1 408 . 1 1 1 A 38 38 THR HA H 38 5.390 5.342 0.048 1
1 409 . 1 1 1 A 38 38 THR CB C 38 71.424 71.376 0.048 1
1 415 . 1 1 1 A 38 38 THR C C 38 173.840 173.758 0.082 1
1 416 . 1 1 1 A 39 39 GLN N N 39 117.672 122.025 -4.353 1
1 417 . 1 1 1 A 39 39 GLN H H 39 9.335 8.954 0.381 1
1 418 . 1 1 1 A 39 39 GLN CA C 39 54.878 54.509 0.369 1
1 419 . 1 1 1 A 39 39 GLN HA H 39 4.899 5.115 -0.216 1
1 420 . 1 1 1 A 39 39 GLN CB C 39 32.186 32.554 -0.368 1
1 429 . 1 1 1 A 39 39 GLN C C 39 174.549 175.525 -0.976 1
1 430 . 1 1 1 A 40 40 TYR N N 40 119.391 120.520 -1.129 1
1 431 . 1 1 1 A 40 40 TYR H H 40 8.858 9.228 -0.370 1
1 432 . 1 1 1 A 40 40 TYR CA C 40 60.804 60.276 0.528 1
1 433 . 1 1 1 A 40 40 TYR HA H 40 4.752 4.497 0.255 1
1 434 . 1 1 1 A 40 40 TYR CB C 40 39.167 38.962 0.205 1
1 445 . 1 1 1 A 40 40 TYR C C 40 176.295 176.638 -0.343 1
1 446 . 1 1 1 A 41 41 GLU N N 41 119.491 118.330 1.161 1
1 447 . 1 1 1 A 41 41 GLU H H 41 8.079 7.995 0.084 1
1 448 . 1 1 1 A 41 41 GLU CA C 41 56.296 57.260 -0.964 1
1 449 . 1 1 1 A 41 41 GLU HA H 41 4.351 4.282 0.069 1
1 450 . 1 1 1 A 41 41 GLU CB C 41 30.517 30.266 0.251 1
1 456 . 1 1 1 A 41 41 GLU C C 41 175.460 176.401 -0.941 1
1 457 . 1 1 1 A 42 42 ASN N N 42 125.050 125.436 -0.386 1
1 458 . 1 1 1 A 42 42 ASN H H 42 8.720 8.725 -0.005 1
1 459 . 1 1 1 A 42 42 ASN CA C 42 51.186 51.135 0.051 1
1 460 . 1 1 1 A 42 42 ASN HA H 42 2.979 4.725 -1.746 1
1 461 . 1 1 1 A 42 42 ASN CB C 42 38.637 39.162 -0.525 1
1 467 . 1 1 1 A 42 42 ASN C C 42 174.950 175.483 -0.533 1
1 468 . 1 1 1 A 43 43 PRO CA C 43 63.681 65.094 -1.413 1
1 469 . 1 1 1 A 43 43 PRO HA H 43 3.869 4.162 -0.293 1
1 470 . 1 1 1 A 43 43 PRO CB C 43 31.408 31.135 0.273 1
1 479 . 1 1 1 A 43 43 PRO C C 43 178.273 178.540 -0.267 1
1 480 . 1 1 1 A 44 44 VAL N N 44 119.901 115.565 4.336 1
1 481 . 1 1 1 A 44 44 VAL H H 44 7.968 7.162 0.806 1
1 482 . 1 1 1 A 44 44 VAL CA C 44 64.744 65.526 -0.782 1
1 483 . 1 1 1 A 44 44 VAL HA H 44 3.646 3.602 0.044 1
1 484 . 1 1 1 A 44 44 VAL CB C 44 31.581 31.313 0.268 1
1 494 . 1 1 1 A 44 44 VAL C C 44 177.625 178.176 -0.551 1
1 495 . 1 1 1 A 45 45 LEU N N 45 120.711 119.406 1.305 1
1 496 . 1 1 1 A 45 45 LEU H H 45 7.076 7.937 -0.861 1
1 497 . 1 1 1 A 45 45 LEU CA C 45 56.822 58.001 -1.179 1
1 498 . 1 1 1 A 45 45 LEU HA H 45 3.994 3.910 0.084 1
1 499 . 1 1 1 A 45 45 LEU CB C 45 41.194 41.260 -0.066 1
1 512 . 1 1 1 A 45 45 LEU C C 45 179.099 178.909 0.190 1
1 513 . 1 1 1 A 46 46 GLU N N 46 120.581 119.354 1.227 1
1 514 . 1 1 1 A 46 46 GLU H H 46 8.001 8.078 -0.077 1
1 515 . 1 1 1 A 46 46 GLU CA C 46 58.462 59.415 -0.953 1
1 516 . 1 1 1 A 46 46 GLU HA H 46 3.961 3.993 -0.032 1
1 517 . 1 1 1 A 46 46 GLU CB C 46 29.956 29.239 0.717 1
1 523 . 1 1 1 A 46 46 GLU C C 46 177.685 178.426 -0.741 1
1 524 . 1 1 1 A 47 47 ALA N N 47 121.265 121.013 0.252 1
1 525 . 1 1 1 A 47 47 ALA H H 47 7.625 8.172 -0.547 1
1 526 . 1 1 1 A 47 47 ALA CA C 47 54.438 55.094 -0.656 1
1 527 . 1 1 1 A 47 47 ALA HA H 47 4.082 4.130 -0.048 1
1 528 . 1 1 1 A 47 47 ALA CB C 47 18.192 18.355 -0.163 1
1 532 . 1 1 1 A 47 47 ALA C C 47 179.879 179.657 0.222 1
1 533 . 1 1 1 A 48 48 LYS N N 48 118.414 116.725 1.689 1
1 534 . 1 1 1 A 48 48 LYS H H 48 7.776 7.895 -0.119 1
1 535 . 1 1 1 A 48 48 LYS CA C 48 58.491 58.738 -0.247 1
1 536 . 1 1 1 A 48 48 LYS HA H 48 4.063 4.089 -0.026 1
1 537 . 1 1 1 A 48 48 LYS CB C 48 32.565 31.389 1.176 1
1 547 . 1 1 1 A 48 48 LYS C C 48 178.235 178.406 -0.171 1
1 548 . 1 1 1 A 49 49 ARG N N 49 120.324 119.913 0.411 1
1 549 . 1 1 1 A 49 49 ARG H H 49 7.968 7.993 -0.025 1
1 550 . 1 1 1 A 49 49 ARG CA C 49 58.156 58.596 -0.440 1
1 551 . 1 1 1 A 49 49 ARG HA H 49 4.140 4.124 0.016 1
1 552 . 1 1 1 A 49 49 ARG CB C 49 30.349 30.194 0.155 1
1 561 . 1 1 1 A 49 49 ARG C C 49 177.985 178.196 -0.211 1
1 562 . 1 1 1 A 50 50 LYS N N 50 120.001 117.991 2.010 1
1 563 . 1 1 1 A 50 50 LYS H H 50 8.051 8.386 -0.335 1
1 564 . 1 1 1 A 50 50 LYS CA C 50 58.185 58.309 -0.124 1
1 565 . 1 1 1 A 50 50 LYS HA H 50 4.099 4.181 -0.082 1
1 566 . 1 1 1 A 50 50 LYS CB C 50 32.645 32.703 -0.058 1
1 575 . 1 1 1 A 50 50 LYS C C 50 177.791 178.680 -0.889 1
1 576 . 1 1 1 A 51 51 LYS N N 51 120.458 119.749 0.709 1
1 577 . 1 1 1 A 51 51 LYS H H 51 7.915 8.105 -0.190 1
1 578 . 1 1 1 A 51 51 LYS CA C 51 57.452 58.802 -1.350 1
1 579 . 1 1 1 A 51 51 LYS HA H 51 4.189 4.207 -0.018 1
1 580 . 1 1 1 A 51 51 LYS CB C 51 32.620 32.764 -0.144 1
1 590 . 1 1 1 A 51 51 LYS C C 51 177.670 178.800 -1.130 1
1 591 . 1 1 1 A 52 52 GLN N N 52 119.883 116.333 3.550 1
1 592 . 1 1 1 A 52 52 GLN H H 52 8.060 7.859 0.201 1
1 593 . 1 1 1 A 52 52 GLN CA C 52 56.866 58.178 -1.312 1
1 594 . 1 1 1 A 52 52 GLN HA H 52 4.213 4.102 0.111 1
1 595 . 1 1 1 A 52 52 GLN CB C 52 28.969 27.632 1.337 1
1 604 . 1 1 1 A 52 52 GLN C C 52 176.851 176.469 0.382 1
1 605 . 1 1 1 A 53 53 LEU N N 53 121.489 122.962 -1.473 1
1 606 . 1 1 1 A 53 53 LEU H H 53 8.027 7.595 0.432 1
1 607 . 1 1 1 A 53 53 LEU CA C 53 55.826 55.881 -0.055 1
1 608 . 1 1 1 A 53 53 LEU HA H 53 4.288 4.186 0.102 1
1 609 . 1 1 1 A 53 53 LEU CB C 53 42.379 42.079 0.300 1
1 622 . 1 1 1 A 53 53 LEU C C 53 177.973 176.851 1.122 1
1 623 . 1 1 1 A 54 54 GLU N N 54 120.395 126.198 -5.803 1
1 624 . 1 1 1 A 54 54 GLU H H 54 8.141 8.987 -0.846 1
1 625 . 1 1 1 A 54 54 GLU CA C 54 56.906 58.181 -1.275 1
1 626 . 1 1 1 A 54 54 GLU HA H 54 4.291 4.470 -0.179 1
1 627 . 1 1 1 A 54 54 GLU CB C 54 30.228 30.972 -0.744 1
1 633 . 1 1 1 A 54 54 GLU C C 54 176.762 176.357 0.405 1
1 634 . 1 1 1 A 55 55 SER N N 55 115.834 112.365 3.469 1
1 635 . 1 1 1 A 55 55 SER H H 55 8.178 7.983 0.195 1
1 636 . 1 1 1 A 55 55 SER CA C 55 58.606 56.501 2.105 1
1 637 . 1 1 1 A 55 55 SER HA H 55 4.492 4.806 -0.314 1
1 638 . 1 1 1 A 55 55 SER CB C 55 63.869 65.951 -2.082 1
1 641 . 1 1 1 A 55 55 SER C C 55 174.614 173.242 1.372 1
1 642 . 1 1 1 A 56 56 GLY N N 56 110.601 111.269 -0.668 1
1 643 . 1 1 1 A 56 56 GLY H H 56 8.163 8.127 0.036 1
1 644 . 1 1 1 A 56 56 GLY CA C 56 44.731 45.347 -0.616 1
1 645 . 1 1 1 A 56 56 GLY HA2 H 56 4.098 4.157 -0.059 1
1 646 . 1 1 1 A 56 56 GLY HA3 H 56 4.167 4.157 0.010 1
1 647 . 1 1 1 A 56 56 GLY C C 56 171.805 171.088 0.717 1
1 648 . 1 1 1 A 57 57 PRO CA C 57 63.271 62.788 0.483 1
1 649 . 1 1 1 A 57 57 PRO HA H 57 4.475 4.687 -0.212 1
1 650 . 1 1 1 A 57 57 PRO CB C 57 32.133 31.631 0.502 1
1 659 . 1 1 1 A 57 57 PRO C C 57 177.422 176.767 0.655 1
1 660 . 1 1 1 A 58 58 SER N N 58 116.422 119.288 -2.866 1
1 661 . 1 1 1 A 58 58 SER H H 58 8.524 8.559 -0.035 1
1 662 . 1 1 1 A 58 58 SER CA C 58 58.457 59.043 -0.586 1
1 663 . 1 1 1 A 58 58 SER HA H 58 4.494 4.554 -0.060 1
1 664 . 1 1 1 A 58 58 SER CB C 58 63.945 63.855 0.090 1
1 667 . 1 1 1 A 58 58 SER C C 58 174.720 174.229 0.491 1
1 668 . 1 1 1 A 59 59 SER N N 59 117.951 121.121 -3.170 1
1 669 . 1 1 1 A 59 59 SER H H 59 8.342 8.929 -0.587 1
1 670 . 1 1 1 A 59 59 SER CA C 59 58.327 59.562 -1.235 1
1 671 . 1 1 1 A 59 59 SER HA H 59 4.491 4.612 -0.121 1
1 672 . 1 1 1 A 59 59 SER CB C 59 63.965 65.717 -1.752 1
1 675 . 1 1 1 A 59 59 SER C C 59 173.967 174.825 -0.858 1
1 1 . 2 1 1 A 5 5 SER N N 5 115.829 116.004 -0.175 1
1 2 . 2 1 1 A 5 5 SER CA C 5 58.317 59.532 -1.215 1
1 3 . 2 1 1 A 5 5 SER CB C 5 63.703 65.769 -2.066 1
1 4 . 2 1 1 A 5 5 SER C C 5 174.849 174.538 0.311 1
1 5 . 2 1 1 A 6 6 SER N N 6 117.994 115.851 2.143 1
1 6 . 2 1 1 A 6 6 SER CA C 6 58.677 59.083 -0.406 1
1 7 . 2 1 1 A 6 6 SER HA H 6 4.501 4.111 0.390 1
1 8 . 2 1 1 A 6 6 SER CB C 6 63.732 61.496 2.236 1
1 10 . 2 1 1 A 6 6 SER C C 6 175.043 173.314 1.729 1
1 11 . 2 1 1 A 7 7 GLY N N 7 110.716 106.762 3.954 1
1 12 . 2 1 1 A 7 7 GLY H H 7 8.429 7.867 0.562 1
1 13 . 2 1 1 A 7 7 GLY CA C 7 45.403 44.788 0.615 1
1 14 . 2 1 1 A 7 7 GLY HA2 H 7 3.976 4.190 -0.214 1
1 15 . 2 1 1 A 7 7 GLY HA3 H 7 3.976 4.196 -0.220 1
1 16 . 2 1 1 A 7 7 GLY C C 7 174.231 172.651 1.580 1
1 17 . 2 1 1 A 8 8 LEU N N 8 121.547 118.773 2.774 1
1 18 . 2 1 1 A 8 8 LEU H H 8 8.132 8.677 -0.545 1
1 19 . 2 1 1 A 8 8 LEU CA C 8 55.233 53.056 2.177 1
1 20 . 2 1 1 A 8 8 LEU HA H 8 4.356 4.927 -0.571 1
1 21 . 2 1 1 A 8 8 LEU CB C 8 42.416 43.700 -1.284 1
1 31 . 2 1 1 A 8 8 LEU C C 8 177.479 175.789 1.690 1
1 32 . 2 1 1 A 9 9 ASP N N 9 120.983 117.424 3.559 1
1 33 . 2 1 1 A 9 9 ASP H H 9 8.413 8.779 -0.366 1
1 34 . 2 1 1 A 9 9 ASP CA C 9 54.826 53.022 1.804 1
1 35 . 2 1 1 A 9 9 ASP HA H 9 4.555 5.383 -0.828 1
1 36 . 2 1 1 A 9 9 ASP CB C 9 40.967 44.361 -3.394 1
1 39 . 2 1 1 A 9 9 ASP C C 9 176.609 174.247 2.362 1
1 40 . 2 1 1 A 10 10 SER N N 10 115.538 115.128 0.410 1
1 41 . 2 1 1 A 10 10 SER H H 10 8.146 8.738 -0.592 1
1 42 . 2 1 1 A 10 10 SER CA C 10 58.926 56.023 2.903 1
1 43 . 2 1 1 A 10 10 SER HA H 10 4.361 5.141 -0.780 1
1 44 . 2 1 1 A 10 10 SER CB C 10 63.924 65.981 -2.057 1
1 47 . 2 1 1 A 10 10 SER C C 10 174.922 175.179 -0.257 1
1 48 . 2 1 1 A 11 11 GLU N N 11 122.324 124.032 -1.708 1
1 49 . 2 1 1 A 11 11 GLU H H 11 8.416 9.069 -0.653 1
1 50 . 2 1 1 A 11 11 GLU CA C 11 56.763 58.979 -2.216 1
1 51 . 2 1 1 A 11 11 GLU HA H 11 4.262 3.655 0.607 1
1 52 . 2 1 1 A 11 11 GLU CB C 11 29.860 29.239 0.621 1
1 58 . 2 1 1 A 11 11 GLU C C 11 176.347 176.749 -0.402 1
1 59 . 2 1 1 A 12 12 LEU N N 12 121.580 117.029 4.551 1
1 60 . 2 1 1 A 12 12 LEU H H 12 7.957 7.955 0.002 1
1 61 . 2 1 1 A 12 12 LEU CA C 12 54.921 56.281 -1.360 1
1 62 . 2 1 1 A 12 12 LEU HA H 12 4.311 3.860 0.451 1
1 63 . 2 1 1 A 12 12 LEU CB C 12 42.313 40.535 1.778 1
1 76 . 2 1 1 A 12 12 LEU C C 12 176.945 175.977 0.968 1
1 77 . 2 1 1 A 13 13 GLU N N 13 122.146 110.022 12.124 1
1 78 . 2 1 1 A 13 13 GLU H H 13 8.088 8.442 -0.354 1
1 79 . 2 1 1 A 13 13 GLU CA C 13 56.222 57.109 -0.887 1
1 80 . 2 1 1 A 13 13 GLU HA H 13 4.236 3.830 0.406 1
1 81 . 2 1 1 A 13 13 GLU CB C 13 30.332 27.464 2.868 1
1 86 . 2 1 1 A 13 13 GLU C C 13 175.667 175.892 -0.225 1
1 87 . 2 1 1 A 14 14 LEU N N 14 123.302 120.292 3.010 1
1 88 . 2 1 1 A 14 14 LEU H H 14 8.331 7.807 0.524 1
1 89 . 2 1 1 A 14 14 LEU CA C 14 52.689 53.744 -1.055 1
1 90 . 2 1 1 A 14 14 LEU HA H 14 4.376 4.069 0.307 1
1 91 . 2 1 1 A 14 14 LEU CB C 14 41.859 41.385 0.474 1
1 104 . 2 1 1 A 14 14 LEU C C 14 174.694 177.344 -2.650 1
1 105 . 2 1 1 A 15 15 PRO CA C 15 61.808 65.900 -4.092 1
1 106 . 2 1 1 A 15 15 PRO HA H 15 4.509 4.421 0.088 1
1 107 . 2 1 1 A 15 15 PRO CB C 15 31.501 31.540 -0.039 1
1 116 . 2 1 1 A 15 15 PRO C C 15 175.733 176.510 -0.777 1
1 117 . 2 1 1 A 16 16 ALA N N 16 123.226 117.059 6.167 1
1 118 . 2 1 1 A 16 16 ALA H H 16 8.427 8.072 0.355 1
1 119 . 2 1 1 A 16 16 ALA CA C 16 53.836 51.492 2.344 1
1 120 . 2 1 1 A 16 16 ALA HA H 16 4.235 4.799 -0.564 1
1 121 . 2 1 1 A 16 16 ALA CB C 16 18.391 22.776 -4.385 1
1 125 . 2 1 1 A 16 16 ALA C C 16 178.641 177.097 1.544 1
1 126 . 2 1 1 A 17 17 GLY N N 17 110.263 109.949 0.314 1
1 127 . 2 1 1 A 17 17 GLY H H 17 8.816 8.773 0.043 1
1 128 . 2 1 1 A 17 17 GLY CA C 17 45.465 46.056 -0.591 1
1 129 . 2 1 1 A 17 17 GLY HA2 H 17 3.759 3.764 -0.005 1
1 130 . 2 1 1 A 17 17 GLY HA3 H 17 4.261 3.932 0.329 1
1 131 . 2 1 1 A 17 17 GLY C C 17 173.251 173.505 -0.254 1
1 132 . 2 1 1 A 18 18 TRP N N 18 118.263 119.243 -0.980 1
1 133 . 2 1 1 A 18 18 TRP H H 18 7.782 7.949 -0.167 1
1 134 . 2 1 1 A 18 18 TRP CA C 18 56.679 55.889 0.790 1
1 135 . 2 1 1 A 18 18 TRP HA H 18 5.840 5.234 0.606 1
1 136 . 2 1 1 A 18 18 TRP CB C 18 32.215 33.098 -0.883 1
1 151 . 2 1 1 A 18 18 TRP C C 18 177.038 174.906 2.132 1
1 152 . 2 1 1 A 19 19 GLU N N 19 122.023 123.106 -1.083 1
1 153 . 2 1 1 A 19 19 GLU H H 19 9.480 8.633 0.847 1
1 154 . 2 1 1 A 19 19 GLU CA C 19 55.126 55.376 -0.250 1
1 155 . 2 1 1 A 19 19 GLU HA H 19 4.679 4.961 -0.282 1
1 156 . 2 1 1 A 19 19 GLU CB C 19 34.865 33.817 1.048 1
1 162 . 2 1 1 A 19 19 GLU C C 19 173.752 175.089 -1.337 1
1 163 . 2 1 1 A 20 20 LYS N N 20 127.008 127.945 -0.937 1
1 164 . 2 1 1 A 20 20 LYS H H 20 8.848 8.615 0.233 1
1 165 . 2 1 1 A 20 20 LYS CA C 20 55.531 56.665 -1.134 1
1 166 . 2 1 1 A 20 20 LYS HA H 20 4.379 4.761 -0.382 1
1 167 . 2 1 1 A 20 20 LYS CB C 20 33.946 32.743 1.203 1
1 178 . 2 1 1 A 20 20 LYS C C 20 174.530 175.096 -0.566 1
1 179 . 2 1 1 A 21 21 ILE N N 21 130.740 131.015 -0.275 1
1 180 . 2 1 1 A 21 21 ILE H H 21 8.894 9.022 -0.128 1
1 181 . 2 1 1 A 21 21 ILE CA C 21 58.996 60.064 -1.068 1
1 182 . 2 1 1 A 21 21 ILE HA H 21 4.035 4.448 -0.413 1
1 183 . 2 1 1 A 21 21 ILE CB C 21 38.249 39.451 -1.202 1
1 196 . 2 1 1 A 21 21 ILE C C 21 173.612 174.263 -0.651 1
1 197 . 2 1 1 A 22 22 GLU N N 22 124.546 127.386 -2.840 1
1 198 . 2 1 1 A 22 22 GLU H H 22 8.273 8.828 -0.555 1
1 199 . 2 1 1 A 22 22 GLU CA C 22 54.652 55.302 -0.650 1
1 200 . 2 1 1 A 22 22 GLU HA H 22 4.429 4.679 -0.250 1
1 201 . 2 1 1 A 22 22 GLU CB C 22 29.876 30.950 -1.074 1
1 207 . 2 1 1 A 22 22 GLU C C 22 174.548 175.266 -0.718 1
1 208 . 2 1 1 A 23 23 ASP N N 23 128.325 126.027 2.298 1
1 209 . 2 1 1 A 23 23 ASP H H 23 8.368 8.929 -0.561 1
1 210 . 2 1 1 A 23 23 ASP CA C 23 51.555 50.544 1.011 1
1 211 . 2 1 1 A 23 23 ASP HA H 23 5.093 5.194 -0.101 1
1 212 . 2 1 1 A 23 23 ASP CB C 23 45.902 42.522 3.380 1
1 215 . 2 1 1 A 23 23 ASP C C 23 175.729 176.080 -0.351 1
1 216 . 2 1 1 A 24 24 PRO CA C 24 64.824 64.878 -0.054 1
1 217 . 2 1 1 A 24 24 PRO HA H 24 4.356 4.456 -0.100 1
1 218 . 2 1 1 A 24 24 PRO CB C 24 32.297 32.232 0.065 1
1 227 . 2 1 1 A 24 24 PRO C C 24 176.540 177.473 -0.933 1
1 228 . 2 1 1 A 25 25 VAL N N 25 118.640 116.198 2.442 1
1 229 . 2 1 1 A 25 25 VAL H H 25 8.485 7.816 0.669 1
1 230 . 2 1 1 A 25 25 VAL CA C 25 64.125 64.106 0.019 1
1 231 . 2 1 1 A 25 25 VAL HA H 25 3.856 3.947 -0.091 1
1 232 . 2 1 1 A 25 25 VAL CB C 25 33.098 32.529 0.569 1
1 242 . 2 1 1 A 25 25 VAL C C 25 177.626 177.279 0.347 1
1 243 . 2 1 1 A 26 26 TYR N N 26 117.602 117.127 0.475 1
1 244 . 2 1 1 A 26 26 TYR H H 26 8.632 8.349 0.283 1
1 245 . 2 1 1 A 26 26 TYR CA C 26 59.189 59.520 -0.331 1
1 246 . 2 1 1 A 26 26 TYR HA H 26 4.469 4.514 -0.045 1
1 247 . 2 1 1 A 26 26 TYR CB C 26 39.193 38.853 0.340 1
1 258 . 2 1 1 A 26 26 TYR C C 26 176.124 176.553 -0.429 1
1 259 . 2 1 1 A 27 27 GLY N N 27 110.042 106.707 3.335 1
1 260 . 2 1 1 A 27 27 GLY H H 27 8.181 7.907 0.274 1
1 261 . 2 1 1 A 27 27 GLY CA C 27 44.979 44.578 0.401 1
1 262 . 2 1 1 A 27 27 GLY HA2 H 27 3.890 4.101 -0.211 1
1 263 . 2 1 1 A 27 27 GLY HA3 H 27 4.390 4.110 0.280 1
1 264 . 2 1 1 A 27 27 GLY C C 27 173.043 173.358 -0.315 1
1 265 . 2 1 1 A 28 28 ILE N N 28 121.278 121.273 0.005 1
1 266 . 2 1 1 A 28 28 ILE H H 28 8.259 8.208 0.051 1
1 267 . 2 1 1 A 28 28 ILE CA C 28 60.867 60.946 -0.079 1
1 268 . 2 1 1 A 28 28 ILE HA H 28 4.900 4.823 0.077 1
1 269 . 2 1 1 A 28 28 ILE CB C 28 38.763 38.127 0.636 1
1 282 . 2 1 1 A 28 28 ILE C C 28 176.805 175.108 1.697 1
1 283 . 2 1 1 A 29 29 TYR N N 29 124.534 124.132 0.402 1
1 284 . 2 1 1 A 29 29 TYR H H 29 8.822 8.658 0.164 1
1 285 . 2 1 1 A 29 29 TYR CA C 29 56.332 55.327 1.005 1
1 286 . 2 1 1 A 29 29 TYR HA H 29 4.712 5.041 -0.329 1
1 287 . 2 1 1 A 29 29 TYR CB C 29 38.879 41.704 -2.825 1
1 298 . 2 1 1 A 29 29 TYR C C 29 170.710 172.186 -1.476 1
1 299 . 2 1 1 A 30 30 TYR N N 30 116.432 120.312 -3.880 1
1 300 . 2 1 1 A 30 30 TYR H H 30 8.981 8.433 0.548 1
1 301 . 2 1 1 A 30 30 TYR CA C 30 56.921 57.471 -0.550 1
1 302 . 2 1 1 A 30 30 TYR HA H 30 5.417 5.545 -0.128 1
1 303 . 2 1 1 A 30 30 TYR CB C 30 41.603 40.602 1.001 1
1 314 . 2 1 1 A 30 30 TYR C C 30 174.825 175.061 -0.236 1
1 315 . 2 1 1 A 31 31 VAL N N 31 121.385 123.164 -1.779 1
1 316 . 2 1 1 A 31 31 VAL H H 31 9.266 8.964 0.302 1
1 317 . 2 1 1 A 31 31 VAL CA C 31 60.346 59.679 0.667 1
1 318 . 2 1 1 A 31 31 VAL HA H 31 4.610 4.981 -0.371 1
1 319 . 2 1 1 A 31 31 VAL CB C 31 35.393 34.273 1.120 1
1 329 . 2 1 1 A 31 31 VAL C C 31 173.103 173.418 -0.315 1
1 330 . 2 1 1 A 32 32 ASP N N 32 126.129 126.833 -0.704 1
1 331 . 2 1 1 A 32 32 ASP H H 32 8.340 9.144 -0.804 1
1 332 . 2 1 1 A 32 32 ASP CA C 32 51.134 53.528 -2.394 1
1 333 . 2 1 1 A 32 32 ASP HA H 32 3.702 4.829 -1.127 1
1 334 . 2 1 1 A 32 32 ASP CB C 32 39.252 41.326 -2.074 1
1 337 . 2 1 1 A 32 32 ASP C C 32 177.731 175.808 1.923 1
1 338 . 2 1 1 A 33 33 HIS N N 33 121.984 121.918 0.066 1
1 339 . 2 1 1 A 33 33 HIS H H 33 8.728 8.329 0.399 1
1 340 . 2 1 1 A 33 33 HIS CA C 33 58.404 57.097 1.307 1
1 341 . 2 1 1 A 33 33 HIS HA H 33 4.218 4.570 -0.352 1
1 342 . 2 1 1 A 33 33 HIS CB C 33 30.594 29.227 1.367 1
1 349 . 2 1 1 A 33 33 HIS C C 33 176.844 175.661 1.183 1
1 350 . 2 1 1 A 34 34 ILE N N 34 120.023 117.103 2.920 1
1 351 . 2 1 1 A 34 34 ILE H H 34 8.090 7.482 0.608 1
1 352 . 2 1 1 A 34 34 ILE CA C 34 63.382 62.377 1.005 1
1 353 . 2 1 1 A 34 34 ILE HA H 34 3.845 4.044 -0.199 1
1 354 . 2 1 1 A 34 34 ILE CB C 34 37.023 39.705 -2.682 1
1 367 . 2 1 1 A 34 34 ILE C C 34 177.464 177.407 0.057 1
1 368 . 2 1 1 A 35 35 ASN N N 35 115.543 117.307 -1.764 1
1 369 . 2 1 1 A 35 35 ASN H H 35 7.620 7.793 -0.173 1
1 370 . 2 1 1 A 35 35 ASN CA C 35 53.139 52.751 0.388 1
1 371 . 2 1 1 A 35 35 ASN HA H 35 4.587 4.795 -0.208 1
1 372 . 2 1 1 A 35 35 ASN CB C 35 38.909 38.721 0.188 1
1 378 . 2 1 1 A 35 35 ASN C C 35 173.887 174.174 -0.287 1
1 379 . 2 1 1 A 36 36 ARG N N 36 117.698 116.652 1.046 1
1 380 . 2 1 1 A 36 36 ARG H H 36 7.596 7.812 -0.216 1
1 381 . 2 1 1 A 36 36 ARG CA C 36 56.824 56.999 -0.175 1
1 382 . 2 1 1 A 36 36 ARG HA H 36 3.850 3.907 -0.057 1
1 383 . 2 1 1 A 36 36 ARG CB C 36 26.161 27.818 -1.657 1
1 390 . 2 1 1 A 36 36 ARG C C 36 174.732 174.740 -0.008 1
1 391 . 2 1 1 A 37 37 LYS N N 37 117.773 114.322 3.451 1
1 392 . 2 1 1 A 37 37 LYS H H 37 7.471 7.494 -0.023 1
1 393 . 2 1 1 A 37 37 LYS CA C 37 54.528 54.893 -0.365 1
1 394 . 2 1 1 A 37 37 LYS HA H 37 4.795 4.969 -0.174 1
1 395 . 2 1 1 A 37 37 LYS CB C 37 36.493 35.852 0.641 1
1 404 . 2 1 1 A 37 37 LYS C C 37 174.870 174.611 0.259 1
1 405 . 2 1 1 A 38 38 THR N N 38 114.635 110.242 4.393 1
1 406 . 2 1 1 A 38 38 THR H H 38 8.322 8.620 -0.298 1
1 407 . 2 1 1 A 38 38 THR CA C 38 60.506 59.952 0.554 1
1 408 . 2 1 1 A 38 38 THR HA H 38 5.390 5.498 -0.108 1
1 409 . 2 1 1 A 38 38 THR CB C 38 71.424 72.358 -0.934 1
1 415 . 2 1 1 A 38 38 THR C C 38 173.840 173.249 0.591 1
1 416 . 2 1 1 A 39 39 GLN N N 39 117.672 119.816 -2.144 1
1 417 . 2 1 1 A 39 39 GLN H H 39 9.335 8.482 0.853 1
1 418 . 2 1 1 A 39 39 GLN CA C 39 54.878 54.405 0.473 1
1 419 . 2 1 1 A 39 39 GLN HA H 39 4.899 5.039 -0.140 1
1 420 . 2 1 1 A 39 39 GLN CB C 39 32.186 31.497 0.689 1
1 429 . 2 1 1 A 39 39 GLN C C 39 174.549 174.541 0.008 1
1 430 . 2 1 1 A 40 40 TYR N N 40 119.391 118.273 1.118 1
1 431 . 2 1 1 A 40 40 TYR H H 40 8.858 8.725 0.133 1
1 432 . 2 1 1 A 40 40 TYR CA C 40 60.804 59.934 0.870 1
1 433 . 2 1 1 A 40 40 TYR HA H 40 4.752 4.631 0.121 1
1 434 . 2 1 1 A 40 40 TYR CB C 40 39.167 39.937 -0.770 1
1 445 . 2 1 1 A 40 40 TYR C C 40 176.295 176.513 -0.218 1
1 446 . 2 1 1 A 41 41 GLU N N 41 119.491 118.385 1.106 1
1 447 . 2 1 1 A 41 41 GLU H H 41 8.079 8.036 0.043 1
1 448 . 2 1 1 A 41 41 GLU CA C 41 56.296 57.174 -0.878 1
1 449 . 2 1 1 A 41 41 GLU HA H 41 4.351 4.296 0.055 1
1 450 . 2 1 1 A 41 41 GLU CB C 41 30.517 30.092 0.425 1
1 456 . 2 1 1 A 41 41 GLU C C 41 175.460 176.416 -0.956 1
1 457 . 2 1 1 A 42 42 ASN N N 42 125.050 125.463 -0.413 1
1 458 . 2 1 1 A 42 42 ASN H H 42 8.720 8.813 -0.093 1
1 459 . 2 1 1 A 42 42 ASN CA C 42 51.186 51.263 -0.077 1
1 460 . 2 1 1 A 42 42 ASN HA H 42 2.979 4.713 -1.734 1
1 461 . 2 1 1 A 42 42 ASN CB C 42 38.637 39.299 -0.662 1
1 467 . 2 1 1 A 42 42 ASN C C 42 174.950 175.592 -0.642 1
1 468 . 2 1 1 A 43 43 PRO CA C 43 63.681 64.947 -1.266 1
1 469 . 2 1 1 A 43 43 PRO HA H 43 3.869 4.177 -0.308 1
1 470 . 2 1 1 A 43 43 PRO CB C 43 31.408 31.134 0.274 1
1 479 . 2 1 1 A 43 43 PRO C C 43 178.273 178.504 -0.231 1
1 480 . 2 1 1 A 44 44 VAL N N 44 119.901 115.947 3.954 1
1 481 . 2 1 1 A 44 44 VAL H H 44 7.968 7.132 0.836 1
1 482 . 2 1 1 A 44 44 VAL CA C 44 64.744 65.536 -0.792 1
1 483 . 2 1 1 A 44 44 VAL HA H 44 3.646 3.604 0.042 1
1 484 . 2 1 1 A 44 44 VAL CB C 44 31.581 31.255 0.326 1
1 494 . 2 1 1 A 44 44 VAL C C 44 177.625 178.167 -0.542 1
1 495 . 2 1 1 A 45 45 LEU N N 45 120.711 119.621 1.090 1
1 496 . 2 1 1 A 45 45 LEU H H 45 7.076 7.912 -0.836 1
1 497 . 2 1 1 A 45 45 LEU CA C 45 56.822 58.126 -1.304 1
1 498 . 2 1 1 A 45 45 LEU HA H 45 3.994 3.889 0.105 1
1 499 . 2 1 1 A 45 45 LEU CB C 45 41.194 41.410 -0.216 1
1 512 . 2 1 1 A 45 45 LEU C C 45 179.099 178.985 0.114 1
1 513 . 2 1 1 A 46 46 GLU N N 46 120.581 118.793 1.788 1
1 514 . 2 1 1 A 46 46 GLU H H 46 8.001 8.039 -0.038 1
1 515 . 2 1 1 A 46 46 GLU CA C 46 58.462 59.618 -1.156 1
1 516 . 2 1 1 A 46 46 GLU HA H 46 3.961 4.006 -0.045 1
1 517 . 2 1 1 A 46 46 GLU CB C 46 29.956 29.399 0.557 1
1 523 . 2 1 1 A 46 46 GLU C C 46 177.685 178.531 -0.846 1
1 524 . 2 1 1 A 47 47 ALA N N 47 121.265 121.008 0.257 1
1 525 . 2 1 1 A 47 47 ALA H H 47 7.625 7.923 -0.298 1
1 526 . 2 1 1 A 47 47 ALA CA C 47 54.438 55.062 -0.624 1
1 527 . 2 1 1 A 47 47 ALA HA H 47 4.082 4.115 -0.033 1
1 528 . 2 1 1 A 47 47 ALA CB C 47 18.192 18.562 -0.370 1
1 532 . 2 1 1 A 47 47 ALA C C 47 179.879 179.693 0.186 1
1 533 . 2 1 1 A 48 48 LYS N N 48 118.414 116.818 1.596 1
1 534 . 2 1 1 A 48 48 LYS H H 48 7.776 7.863 -0.087 1
1 535 . 2 1 1 A 48 48 LYS CA C 48 58.491 58.719 -0.228 1
1 536 . 2 1 1 A 48 48 LYS HA H 48 4.063 4.109 -0.046 1
1 537 . 2 1 1 A 48 48 LYS CB C 48 32.565 31.352 1.213 1
1 547 . 2 1 1 A 48 48 LYS C C 48 178.235 178.331 -0.096 1
1 548 . 2 1 1 A 49 49 ARG N N 49 120.324 119.760 0.564 1
1 549 . 2 1 1 A 49 49 ARG H H 49 7.968 7.937 0.031 1
1 550 . 2 1 1 A 49 49 ARG CA C 49 58.156 58.406 -0.250 1
1 551 . 2 1 1 A 49 49 ARG HA H 49 4.140 4.153 -0.013 1
1 552 . 2 1 1 A 49 49 ARG CB C 49 30.349 30.338 0.011 1
1 561 . 2 1 1 A 49 49 ARG C C 49 177.985 178.082 -0.097 1
1 562 . 2 1 1 A 50 50 LYS N N 50 120.001 117.703 2.298 1
1 563 . 2 1 1 A 50 50 LYS H H 50 8.051 8.358 -0.307 1
1 564 . 2 1 1 A 50 50 LYS CA C 50 58.185 58.127 0.058 1
1 565 . 2 1 1 A 50 50 LYS HA H 50 4.099 4.213 -0.114 1
1 566 . 2 1 1 A 50 50 LYS CB C 50 32.645 32.822 -0.177 1
1 575 . 2 1 1 A 50 50 LYS C C 50 177.791 178.652 -0.861 1
1 576 . 2 1 1 A 51 51 LYS N N 51 120.458 119.716 0.742 1
1 577 . 2 1 1 A 51 51 LYS H H 51 7.915 8.099 -0.184 1
1 578 . 2 1 1 A 51 51 LYS CA C 51 57.452 58.614 -1.162 1
1 579 . 2 1 1 A 51 51 LYS HA H 51 4.189 4.217 -0.028 1
1 580 . 2 1 1 A 51 51 LYS CB C 51 32.620 32.846 -0.226 1
1 590 . 2 1 1 A 51 51 LYS C C 51 177.670 179.080 -1.410 1
1 591 . 2 1 1 A 52 52 GLN N N 52 119.883 119.175 0.708 1
1 592 . 2 1 1 A 52 52 GLN H H 52 8.060 7.971 0.089 1
1 593 . 2 1 1 A 52 52 GLN CA C 52 56.866 58.641 -1.775 1
1 594 . 2 1 1 A 52 52 GLN HA H 52 4.213 4.137 0.076 1
1 595 . 2 1 1 A 52 52 GLN CB C 52 28.969 28.301 0.668 1
1 604 . 2 1 1 A 52 52 GLN C C 52 176.851 177.088 -0.237 1
1 605 . 2 1 1 A 53 53 LEU N N 53 121.489 121.500 -0.011 1
1 606 . 2 1 1 A 53 53 LEU H H 53 8.027 7.672 0.355 1
1 607 . 2 1 1 A 53 53 LEU CA C 53 55.826 55.917 -0.091 1
1 608 . 2 1 1 A 53 53 LEU HA H 53 4.288 4.177 0.111 1
1 609 . 2 1 1 A 53 53 LEU CB C 53 42.379 41.717 0.662 1
1 622 . 2 1 1 A 53 53 LEU C C 53 177.973 176.685 1.288 1
1 623 . 2 1 1 A 54 54 GLU N N 54 120.395 125.745 -5.350 1
1 624 . 2 1 1 A 54 54 GLU H H 54 8.141 8.916 -0.775 1
1 625 . 2 1 1 A 54 54 GLU CA C 54 56.906 57.328 -0.422 1
1 626 . 2 1 1 A 54 54 GLU HA H 54 4.291 4.649 -0.358 1
1 627 . 2 1 1 A 54 54 GLU CB C 54 30.228 32.292 -2.064 1
1 633 . 2 1 1 A 54 54 GLU C C 54 176.762 176.436 0.326 1
1 634 . 2 1 1 A 55 55 SER N N 55 115.834 111.060 4.774 1
1 635 . 2 1 1 A 55 55 SER H H 55 8.178 7.684 0.494 1
1 636 . 2 1 1 A 55 55 SER CA C 55 58.606 56.993 1.613 1
1 637 . 2 1 1 A 55 55 SER HA H 55 4.492 4.702 -0.210 1
1 638 . 2 1 1 A 55 55 SER CB C 55 63.869 65.647 -1.778 1
1 641 . 2 1 1 A 55 55 SER C C 55 174.614 173.009 1.605 1
1 642 . 2 1 1 A 56 56 GLY N N 56 110.601 113.871 -3.270 1
1 643 . 2 1 1 A 56 56 GLY H H 56 8.163 8.672 -0.509 1
1 644 . 2 1 1 A 56 56 GLY CA C 56 44.731 45.225 -0.494 1
1 645 . 2 1 1 A 56 56 GLY HA2 H 56 4.098 4.023 0.075 1
1 646 . 2 1 1 A 56 56 GLY HA3 H 56 4.167 4.023 0.144 1
1 647 . 2 1 1 A 56 56 GLY C C 56 171.805 173.137 -1.332 1
1 648 . 2 1 1 A 57 57 PRO CA C 57 63.271 62.891 0.380 1
1 649 . 2 1 1 A 57 57 PRO HA H 57 4.475 4.477 -0.002 1
1 650 . 2 1 1 A 57 57 PRO CB C 57 32.133 31.928 0.205 1
1 659 . 2 1 1 A 57 57 PRO C C 57 177.422 176.146 1.276 1
1 660 . 2 1 1 A 58 58 SER N N 58 116.422 118.032 -1.610 1
1 661 . 2 1 1 A 58 58 SER H H 58 8.524 8.619 -0.095 1
1 662 . 2 1 1 A 58 58 SER CA C 58 58.457 57.461 0.996 1
1 663 . 2 1 1 A 58 58 SER HA H 58 4.494 4.691 -0.197 1
1 664 . 2 1 1 A 58 58 SER CB C 58 63.945 64.450 -0.505 1
1 667 . 2 1 1 A 58 58 SER C C 58 174.720 175.510 -0.790 1
1 668 . 2 1 1 A 59 59 SER N N 59 117.951 119.237 -1.286 1
1 669 . 2 1 1 A 59 59 SER H H 59 8.342 8.854 -0.512 1
1 670 . 2 1 1 A 59 59 SER CA C 59 58.327 60.595 -2.268 1
1 671 . 2 1 1 A 59 59 SER HA H 59 4.491 4.149 0.342 1
1 672 . 2 1 1 A 59 59 SER CB C 59 63.965 63.448 0.517 1
1 675 . 2 1 1 A 59 59 SER C C 59 173.967 175.348 -1.381 1
1 1 . 3 1 1 A 5 5 SER N N 5 115.829 120.304 -4.475 1
1 2 . 3 1 1 A 5 5 SER CA C 5 58.317 57.548 0.769 1
1 3 . 3 1 1 A 5 5 SER CB C 5 63.703 66.119 -2.416 1
1 4 . 3 1 1 A 5 5 SER C C 5 174.849 173.378 1.471 1
1 5 . 3 1 1 A 6 6 SER N N 6 117.994 117.403 0.591 1
1 6 . 3 1 1 A 6 6 SER CA C 6 58.677 56.903 1.774 1
1 7 . 3 1 1 A 6 6 SER HA H 6 4.501 5.456 -0.955 1
1 8 . 3 1 1 A 6 6 SER CB C 6 63.732 66.940 -3.208 1
1 10 . 3 1 1 A 6 6 SER C C 6 175.043 172.970 2.073 1
1 11 . 3 1 1 A 7 7 GLY N N 7 110.716 113.293 -2.577 1
1 12 . 3 1 1 A 7 7 GLY H H 7 8.429 8.407 0.022 1
1 13 . 3 1 1 A 7 7 GLY CA C 7 45.403 44.191 1.212 1
1 14 . 3 1 1 A 7 7 GLY HA2 H 7 3.976 4.134 -0.158 1
1 15 . 3 1 1 A 7 7 GLY HA3 H 7 3.976 4.139 -0.163 1
1 16 . 3 1 1 A 7 7 GLY C C 7 174.231 171.659 2.572 1
1 17 . 3 1 1 A 8 8 LEU N N 8 121.547 119.026 2.521 1
1 18 . 3 1 1 A 8 8 LEU H H 8 8.132 8.469 -0.337 1
1 19 . 3 1 1 A 8 8 LEU CA C 8 55.233 53.414 1.819 1
1 20 . 3 1 1 A 8 8 LEU HA H 8 4.356 5.097 -0.741 1
1 21 . 3 1 1 A 8 8 LEU CB C 8 42.416 45.466 -3.050 1
1 31 . 3 1 1 A 8 8 LEU C C 8 177.479 174.355 3.124 1
1 32 . 3 1 1 A 9 9 ASP N N 9 120.983 121.959 -0.976 1
1 33 . 3 1 1 A 9 9 ASP H H 9 8.413 8.930 -0.517 1
1 34 . 3 1 1 A 9 9 ASP CA C 9 54.826 52.721 2.105 1
1 35 . 3 1 1 A 9 9 ASP HA H 9 4.555 5.325 -0.770 1
1 36 . 3 1 1 A 9 9 ASP CB C 9 40.967 45.078 -4.111 1
1 39 . 3 1 1 A 9 9 ASP C C 9 176.609 174.987 1.622 1
1 40 . 3 1 1 A 10 10 SER N N 10 115.538 112.581 2.957 1
1 41 . 3 1 1 A 10 10 SER H H 10 8.146 8.468 -0.322 1
1 42 . 3 1 1 A 10 10 SER CA C 10 58.926 56.237 2.689 1
1 43 . 3 1 1 A 10 10 SER HA H 10 4.361 5.080 -0.719 1
1 44 . 3 1 1 A 10 10 SER CB C 10 63.924 66.648 -2.724 1
1 47 . 3 1 1 A 10 10 SER C C 10 174.922 175.563 -0.641 1
1 48 . 3 1 1 A 11 11 GLU N N 11 122.324 120.552 1.772 1
1 49 . 3 1 1 A 11 11 GLU H H 11 8.416 9.100 -0.684 1
1 50 . 3 1 1 A 11 11 GLU CA C 11 56.763 59.054 -2.291 1
1 51 . 3 1 1 A 11 11 GLU HA H 11 4.262 3.814 0.448 1
1 52 . 3 1 1 A 11 11 GLU CB C 11 29.860 29.258 0.602 1
1 58 . 3 1 1 A 11 11 GLU C C 11 176.347 176.848 -0.501 1
1 59 . 3 1 1 A 12 12 LEU N N 12 121.580 117.063 4.517 1
1 60 . 3 1 1 A 12 12 LEU H H 12 7.957 8.027 -0.070 1
1 61 . 3 1 1 A 12 12 LEU CA C 12 54.921 56.312 -1.391 1
1 62 . 3 1 1 A 12 12 LEU HA H 12 4.311 3.894 0.417 1
1 63 . 3 1 1 A 12 12 LEU CB C 12 42.313 40.513 1.800 1
1 76 . 3 1 1 A 12 12 LEU C C 12 176.945 175.933 1.012 1
1 77 . 3 1 1 A 13 13 GLU N N 13 122.146 110.057 12.089 1
1 78 . 3 1 1 A 13 13 GLU H H 13 8.088 8.455 -0.367 1
1 79 . 3 1 1 A 13 13 GLU CA C 13 56.222 57.115 -0.893 1
1 80 . 3 1 1 A 13 13 GLU HA H 13 4.236 3.772 0.464 1
1 81 . 3 1 1 A 13 13 GLU CB C 13 30.332 27.472 2.860 1
1 86 . 3 1 1 A 13 13 GLU C C 13 175.667 175.877 -0.210 1
1 87 . 3 1 1 A 14 14 LEU N N 14 123.302 120.311 2.991 1
1 88 . 3 1 1 A 14 14 LEU H H 14 8.331 7.822 0.509 1
1 89 . 3 1 1 A 14 14 LEU CA C 14 52.689 53.751 -1.062 1
1 90 . 3 1 1 A 14 14 LEU HA H 14 4.376 4.075 0.301 1
1 91 . 3 1 1 A 14 14 LEU CB C 14 41.859 41.393 0.466 1
1 104 . 3 1 1 A 14 14 LEU C C 14 174.694 177.349 -2.655 1
1 105 . 3 1 1 A 15 15 PRO CA C 15 61.808 65.901 -4.093 1
1 106 . 3 1 1 A 15 15 PRO HA H 15 4.509 4.422 0.087 1
1 107 . 3 1 1 A 15 15 PRO CB C 15 31.501 31.541 -0.040 1
1 116 . 3 1 1 A 15 15 PRO C C 15 175.733 176.511 -0.778 1
1 117 . 3 1 1 A 16 16 ALA N N 16 123.226 117.059 6.167 1
1 118 . 3 1 1 A 16 16 ALA H H 16 8.427 8.046 0.381 1
1 119 . 3 1 1 A 16 16 ALA CA C 16 53.836 51.489 2.347 1
1 120 . 3 1 1 A 16 16 ALA HA H 16 4.235 4.795 -0.560 1
1 121 . 3 1 1 A 16 16 ALA CB C 16 18.391 22.773 -4.382 1
1 125 . 3 1 1 A 16 16 ALA C C 16 178.641 177.093 1.548 1
1 126 . 3 1 1 A 17 17 GLY N N 17 110.263 109.935 0.328 1
1 127 . 3 1 1 A 17 17 GLY H H 17 8.816 8.756 0.060 1
1 128 . 3 1 1 A 17 17 GLY CA C 17 45.465 46.057 -0.592 1
1 129 . 3 1 1 A 17 17 GLY HA2 H 17 3.759 3.771 -0.012 1
1 130 . 3 1 1 A 17 17 GLY HA3 H 17 4.261 3.896 0.365 1
1 131 . 3 1 1 A 17 17 GLY C C 17 173.251 173.630 -0.379 1
1 132 . 3 1 1 A 18 18 TRP N N 18 118.263 119.279 -1.016 1
1 133 . 3 1 1 A 18 18 TRP H H 18 7.782 7.938 -0.156 1
1 134 . 3 1 1 A 18 18 TRP CA C 18 56.679 56.105 0.574 1
1 135 . 3 1 1 A 18 18 TRP HA H 18 5.840 5.185 0.655 1
1 136 . 3 1 1 A 18 18 TRP CB C 18 32.215 32.798 -0.583 1
1 151 . 3 1 1 A 18 18 TRP C C 18 177.038 174.863 2.175 1
1 152 . 3 1 1 A 19 19 GLU N N 19 122.023 124.073 -2.050 1
1 153 . 3 1 1 A 19 19 GLU H H 19 9.480 8.797 0.683 1
1 154 . 3 1 1 A 19 19 GLU CA C 19 55.126 55.096 0.030 1
1 155 . 3 1 1 A 19 19 GLU HA H 19 4.679 5.154 -0.475 1
1 156 . 3 1 1 A 19 19 GLU CB C 19 34.865 33.155 1.710 1
1 162 . 3 1 1 A 19 19 GLU C C 19 173.752 175.158 -1.406 1
1 163 . 3 1 1 A 20 20 LYS N N 20 127.008 128.143 -1.135 1
1 164 . 3 1 1 A 20 20 LYS H H 20 8.848 8.654 0.194 1
1 165 . 3 1 1 A 20 20 LYS CA C 20 55.531 56.504 -0.973 1
1 166 . 3 1 1 A 20 20 LYS HA H 20 4.379 4.707 -0.328 1
1 167 . 3 1 1 A 20 20 LYS CB C 20 33.946 33.039 0.907 1
1 178 . 3 1 1 A 20 20 LYS C C 20 174.530 174.901 -0.371 1
1 179 . 3 1 1 A 21 21 ILE N N 21 130.740 129.158 1.582 1
1 180 . 3 1 1 A 21 21 ILE H H 21 8.894 9.002 -0.108 1
1 181 . 3 1 1 A 21 21 ILE CA C 21 58.996 60.067 -1.071 1
1 182 . 3 1 1 A 21 21 ILE HA H 21 4.035 4.443 -0.408 1
1 183 . 3 1 1 A 21 21 ILE CB C 21 38.249 38.395 -0.146 1
1 196 . 3 1 1 A 21 21 ILE C C 21 173.612 174.480 -0.868 1
1 197 . 3 1 1 A 22 22 GLU N N 22 124.546 127.310 -2.764 1
1 198 . 3 1 1 A 22 22 GLU H H 22 8.273 8.831 -0.558 1
1 199 . 3 1 1 A 22 22 GLU CA C 22 54.652 55.276 -0.624 1
1 200 . 3 1 1 A 22 22 GLU HA H 22 4.429 4.676 -0.247 1
1 201 . 3 1 1 A 22 22 GLU CB C 22 29.876 31.144 -1.268 1
1 207 . 3 1 1 A 22 22 GLU C C 22 174.548 175.212 -0.664 1
1 208 . 3 1 1 A 23 23 ASP N N 23 128.325 126.129 2.196 1
1 209 . 3 1 1 A 23 23 ASP H H 23 8.368 8.533 -0.165 1
1 210 . 3 1 1 A 23 23 ASP CA C 23 51.555 50.591 0.964 1
1 211 . 3 1 1 A 23 23 ASP HA H 23 5.093 5.205 -0.112 1
1 212 . 3 1 1 A 23 23 ASP CB C 23 45.902 42.394 3.508 1
1 215 . 3 1 1 A 23 23 ASP C C 23 175.729 176.147 -0.418 1
1 216 . 3 1 1 A 24 24 PRO CA C 24 64.824 64.849 -0.025 1
1 217 . 3 1 1 A 24 24 PRO HA H 24 4.356 4.457 -0.101 1
1 218 . 3 1 1 A 24 24 PRO CB C 24 32.297 32.232 0.065 1
1 227 . 3 1 1 A 24 24 PRO C C 24 176.540 177.471 -0.931 1
1 228 . 3 1 1 A 25 25 VAL N N 25 118.640 116.093 2.547 1
1 229 . 3 1 1 A 25 25 VAL H H 25 8.485 7.817 0.668 1
1 230 . 3 1 1 A 25 25 VAL CA C 25 64.125 64.118 0.007 1
1 231 . 3 1 1 A 25 25 VAL HA H 25 3.856 3.941 -0.085 1
1 232 . 3 1 1 A 25 25 VAL CB C 25 33.098 32.620 0.478 1
1 242 . 3 1 1 A 25 25 VAL C C 25 177.626 177.403 0.223 1
1 243 . 3 1 1 A 26 26 TYR N N 26 117.602 117.135 0.467 1
1 244 . 3 1 1 A 26 26 TYR H H 26 8.632 8.302 0.330 1
1 245 . 3 1 1 A 26 26 TYR CA C 26 59.189 60.123 -0.934 1
1 246 . 3 1 1 A 26 26 TYR HA H 26 4.469 4.470 -0.001 1
1 247 . 3 1 1 A 26 26 TYR CB C 26 39.193 38.906 0.287 1
1 258 . 3 1 1 A 26 26 TYR C C 26 176.124 176.580 -0.456 1
1 259 . 3 1 1 A 27 27 GLY N N 27 110.042 106.437 3.605 1
1 260 . 3 1 1 A 27 27 GLY H H 27 8.181 8.036 0.145 1
1 261 . 3 1 1 A 27 27 GLY CA C 27 44.979 44.398 0.581 1
1 262 . 3 1 1 A 27 27 GLY HA2 H 27 3.890 4.119 -0.229 1
1 263 . 3 1 1 A 27 27 GLY HA3 H 27 4.390 4.119 0.271 1
1 264 . 3 1 1 A 27 27 GLY C C 27 173.043 173.284 -0.241 1
1 265 . 3 1 1 A 28 28 ILE N N 28 121.278 121.264 0.014 1
1 266 . 3 1 1 A 28 28 ILE H H 28 8.259 8.263 -0.004 1
1 267 . 3 1 1 A 28 28 ILE CA C 28 60.867 61.373 -0.506 1
1 268 . 3 1 1 A 28 28 ILE HA H 28 4.900 4.705 0.195 1
1 269 . 3 1 1 A 28 28 ILE CB C 28 38.763 37.539 1.224 1
1 282 . 3 1 1 A 28 28 ILE C C 28 176.805 174.988 1.817 1
1 283 . 3 1 1 A 29 29 TYR N N 29 124.534 123.855 0.679 1
1 284 . 3 1 1 A 29 29 TYR H H 29 8.822 8.653 0.169 1
1 285 . 3 1 1 A 29 29 TYR CA C 29 56.332 55.334 0.998 1
1 286 . 3 1 1 A 29 29 TYR HA H 29 4.712 4.922 -0.210 1
1 287 . 3 1 1 A 29 29 TYR CB C 29 38.879 41.641 -2.762 1
1 298 . 3 1 1 A 29 29 TYR C C 29 170.710 171.877 -1.167 1
1 299 . 3 1 1 A 30 30 TYR N N 30 116.432 120.513 -4.081 1
1 300 . 3 1 1 A 30 30 TYR H H 30 8.981 8.926 0.055 1
1 301 . 3 1 1 A 30 30 TYR CA C 30 56.921 57.734 -0.813 1
1 302 . 3 1 1 A 30 30 TYR HA H 30 5.417 5.566 -0.149 1
1 303 . 3 1 1 A 30 30 TYR CB C 30 41.603 40.228 1.375 1
1 314 . 3 1 1 A 30 30 TYR C C 30 174.825 175.063 -0.238 1
1 315 . 3 1 1 A 31 31 VAL N N 31 121.385 124.255 -2.870 1
1 316 . 3 1 1 A 31 31 VAL H H 31 9.266 9.072 0.194 1
1 317 . 3 1 1 A 31 31 VAL CA C 31 60.346 59.693 0.653 1
1 318 . 3 1 1 A 31 31 VAL HA H 31 4.610 4.857 -0.247 1
1 319 . 3 1 1 A 31 31 VAL CB C 31 35.393 34.083 1.310 1
1 329 . 3 1 1 A 31 31 VAL C C 31 173.103 173.680 -0.577 1
1 330 . 3 1 1 A 32 32 ASP N N 32 126.129 128.846 -2.717 1
1 331 . 3 1 1 A 32 32 ASP H H 32 8.340 8.596 -0.256 1
1 332 . 3 1 1 A 32 32 ASP CA C 32 51.134 52.111 -0.977 1
1 333 . 3 1 1 A 32 32 ASP HA H 32 3.702 4.512 -0.810 1
1 334 . 3 1 1 A 32 32 ASP CB C 32 39.252 41.078 -1.826 1
1 337 . 3 1 1 A 32 32 ASP C C 32 177.731 176.706 1.025 1
1 338 . 3 1 1 A 33 33 HIS N N 33 121.984 123.000 -1.016 1
1 339 . 3 1 1 A 33 33 HIS H H 33 8.728 8.449 0.279 1
1 340 . 3 1 1 A 33 33 HIS CA C 33 58.404 56.413 1.991 1
1 341 . 3 1 1 A 33 33 HIS HA H 33 4.218 4.619 -0.401 1
1 342 . 3 1 1 A 33 33 HIS CB C 33 30.594 29.298 1.296 1
1 349 . 3 1 1 A 33 33 HIS C C 33 176.844 175.992 0.852 1
1 350 . 3 1 1 A 34 34 ILE N N 34 120.023 117.733 2.290 1
1 351 . 3 1 1 A 34 34 ILE H H 34 8.090 7.253 0.837 1
1 352 . 3 1 1 A 34 34 ILE CA C 34 63.382 62.399 0.983 1
1 353 . 3 1 1 A 34 34 ILE HA H 34 3.845 4.091 -0.246 1
1 354 . 3 1 1 A 34 34 ILE CB C 34 37.023 39.922 -2.899 1
1 367 . 3 1 1 A 34 34 ILE C C 34 177.464 177.218 0.246 1
1 368 . 3 1 1 A 35 35 ASN N N 35 115.543 117.307 -1.764 1
1 369 . 3 1 1 A 35 35 ASN H H 35 7.620 7.804 -0.184 1
1 370 . 3 1 1 A 35 35 ASN CA C 35 53.139 52.534 0.605 1
1 371 . 3 1 1 A 35 35 ASN HA H 35 4.587 4.758 -0.171 1
1 372 . 3 1 1 A 35 35 ASN CB C 35 38.909 39.463 -0.554 1
1 378 . 3 1 1 A 35 35 ASN C C 35 173.887 174.577 -0.690 1
1 379 . 3 1 1 A 36 36 ARG N N 36 117.698 116.499 1.199 1
1 380 . 3 1 1 A 36 36 ARG H H 36 7.596 7.565 0.031 1
1 381 . 3 1 1 A 36 36 ARG CA C 36 56.824 57.084 -0.260 1
1 382 . 3 1 1 A 36 36 ARG HA H 36 3.850 3.799 0.051 1
1 383 . 3 1 1 A 36 36 ARG CB C 36 26.161 27.255 -1.094 1
1 390 . 3 1 1 A 36 36 ARG C C 36 174.732 174.657 0.075 1
1 391 . 3 1 1 A 37 37 LYS N N 37 117.773 114.300 3.473 1
1 392 . 3 1 1 A 37 37 LYS H H 37 7.471 7.442 0.029 1
1 393 . 3 1 1 A 37 37 LYS CA C 37 54.528 54.687 -0.159 1
1 394 . 3 1 1 A 37 37 LYS HA H 37 4.795 4.971 -0.176 1
1 395 . 3 1 1 A 37 37 LYS CB C 37 36.493 36.286 0.207 1
1 404 . 3 1 1 A 37 37 LYS C C 37 174.870 174.535 0.335 1
1 405 . 3 1 1 A 38 38 THR N N 38 114.635 111.887 2.748 1
1 406 . 3 1 1 A 38 38 THR H H 38 8.322 8.618 -0.296 1
1 407 . 3 1 1 A 38 38 THR CA C 38 60.506 60.206 0.300 1
1 408 . 3 1 1 A 38 38 THR HA H 38 5.390 5.303 0.087 1
1 409 . 3 1 1 A 38 38 THR CB C 38 71.424 71.853 -0.429 1
1 415 . 3 1 1 A 38 38 THR C C 38 173.840 173.635 0.205 1
1 416 . 3 1 1 A 39 39 GLN N N 39 117.672 120.794 -3.122 1
1 417 . 3 1 1 A 39 39 GLN H H 39 9.335 8.883 0.452 1
1 418 . 3 1 1 A 39 39 GLN CA C 39 54.878 54.265 0.613 1
1 419 . 3 1 1 A 39 39 GLN HA H 39 4.899 5.062 -0.163 1
1 420 . 3 1 1 A 39 39 GLN CB C 39 32.186 31.760 0.426 1
1 429 . 3 1 1 A 39 39 GLN C C 39 174.549 175.139 -0.590 1
1 430 . 3 1 1 A 40 40 TYR N N 40 119.391 118.918 0.473 1
1 431 . 3 1 1 A 40 40 TYR H H 40 8.858 8.881 -0.023 1
1 432 . 3 1 1 A 40 40 TYR CA C 40 60.804 59.997 0.807 1
1 433 . 3 1 1 A 40 40 TYR HA H 40 4.752 4.624 0.128 1
1 434 . 3 1 1 A 40 40 TYR CB C 40 39.167 39.832 -0.665 1
1 445 . 3 1 1 A 40 40 TYR C C 40 176.295 176.481 -0.186 1
1 446 . 3 1 1 A 41 41 GLU N N 41 119.491 118.475 1.016 1
1 447 . 3 1 1 A 41 41 GLU H H 41 8.079 7.999 0.080 1
1 448 . 3 1 1 A 41 41 GLU CA C 41 56.296 56.975 -0.679 1
1 449 . 3 1 1 A 41 41 GLU HA H 41 4.351 4.278 0.073 1
1 450 . 3 1 1 A 41 41 GLU CB C 41 30.517 30.004 0.513 1
1 456 . 3 1 1 A 41 41 GLU C C 41 175.460 176.445 -0.985 1
1 457 . 3 1 1 A 42 42 ASN N N 42 125.050 125.175 -0.125 1
1 458 . 3 1 1 A 42 42 ASN H H 42 8.720 8.799 -0.079 1
1 459 . 3 1 1 A 42 42 ASN CA C 42 51.186 51.213 -0.027 1
1 460 . 3 1 1 A 42 42 ASN HA H 42 2.979 4.802 -1.823 1
1 461 . 3 1 1 A 42 42 ASN CB C 42 38.637 39.287 -0.650 1
1 467 . 3 1 1 A 42 42 ASN C C 42 174.950 175.511 -0.561 1
1 468 . 3 1 1 A 43 43 PRO CA C 43 63.681 65.182 -1.501 1
1 469 . 3 1 1 A 43 43 PRO HA H 43 3.869 4.147 -0.278 1
1 470 . 3 1 1 A 43 43 PRO CB C 43 31.408 30.983 0.425 1
1 479 . 3 1 1 A 43 43 PRO C C 43 178.273 178.597 -0.324 1
1 480 . 3 1 1 A 44 44 VAL N N 44 119.901 115.465 4.436 1
1 481 . 3 1 1 A 44 44 VAL H H 44 7.968 7.238 0.730 1
1 482 . 3 1 1 A 44 44 VAL CA C 44 64.744 65.356 -0.612 1
1 483 . 3 1 1 A 44 44 VAL HA H 44 3.646 3.538 0.108 1
1 484 . 3 1 1 A 44 44 VAL CB C 44 31.581 31.339 0.242 1
1 494 . 3 1 1 A 44 44 VAL C C 44 177.625 178.322 -0.697 1
1 495 . 3 1 1 A 45 45 LEU N N 45 120.711 119.475 1.236 1
1 496 . 3 1 1 A 45 45 LEU H H 45 7.076 7.912 -0.836 1
1 497 . 3 1 1 A 45 45 LEU CA C 45 56.822 58.001 -1.179 1
1 498 . 3 1 1 A 45 45 LEU HA H 45 3.994 3.900 0.094 1
1 499 . 3 1 1 A 45 45 LEU CB C 45 41.194 41.139 0.055 1
1 512 . 3 1 1 A 45 45 LEU C C 45 179.099 178.986 0.113 1
1 513 . 3 1 1 A 46 46 GLU N N 46 120.581 119.707 0.874 1
1 514 . 3 1 1 A 46 46 GLU H H 46 8.001 7.864 0.137 1
1 515 . 3 1 1 A 46 46 GLU CA C 46 58.462 59.412 -0.950 1
1 516 . 3 1 1 A 46 46 GLU HA H 46 3.961 3.994 -0.033 1
1 517 . 3 1 1 A 46 46 GLU CB C 46 29.956 29.240 0.716 1
1 523 . 3 1 1 A 46 46 GLU C C 46 177.685 178.446 -0.761 1
1 524 . 3 1 1 A 47 47 ALA N N 47 121.265 121.032 0.233 1
1 525 . 3 1 1 A 47 47 ALA H H 47 7.625 8.105 -0.480 1
1 526 . 3 1 1 A 47 47 ALA CA C 47 54.438 55.035 -0.597 1
1 527 . 3 1 1 A 47 47 ALA HA H 47 4.082 4.128 -0.046 1
1 528 . 3 1 1 A 47 47 ALA CB C 47 18.192 18.562 -0.370 1
1 532 . 3 1 1 A 47 47 ALA C C 47 179.879 179.654 0.225 1
1 533 . 3 1 1 A 48 48 LYS N N 48 118.414 116.788 1.626 1
1 534 . 3 1 1 A 48 48 LYS H H 48 7.776 7.898 -0.122 1
1 535 . 3 1 1 A 48 48 LYS CA C 48 58.491 58.742 -0.251 1
1 536 . 3 1 1 A 48 48 LYS HA H 48 4.063 4.110 -0.047 1
1 537 . 3 1 1 A 48 48 LYS CB C 48 32.565 31.515 1.050 1
1 547 . 3 1 1 A 48 48 LYS C C 48 178.235 178.287 -0.052 1
1 548 . 3 1 1 A 49 49 ARG N N 49 120.324 119.719 0.605 1
1 549 . 3 1 1 A 49 49 ARG H H 49 7.968 7.994 -0.026 1
1 550 . 3 1 1 A 49 49 ARG CA C 49 58.156 58.226 -0.070 1
1 551 . 3 1 1 A 49 49 ARG HA H 49 4.140 4.163 -0.023 1
1 552 . 3 1 1 A 49 49 ARG CB C 49 30.349 30.549 -0.200 1
1 561 . 3 1 1 A 49 49 ARG C C 49 177.985 177.966 0.019 1
1 562 . 3 1 1 A 50 50 LYS N N 50 120.001 117.741 2.260 1
1 563 . 3 1 1 A 50 50 LYS H H 50 8.051 8.385 -0.334 1
1 564 . 3 1 1 A 50 50 LYS CA C 50 58.185 58.210 -0.025 1
1 565 . 3 1 1 A 50 50 LYS HA H 50 4.099 4.208 -0.109 1
1 566 . 3 1 1 A 50 50 LYS CB C 50 32.645 32.796 -0.151 1
1 575 . 3 1 1 A 50 50 LYS C C 50 177.791 178.610 -0.819 1
1 576 . 3 1 1 A 51 51 LYS N N 51 120.458 119.686 0.772 1
1 577 . 3 1 1 A 51 51 LYS H H 51 7.915 8.317 -0.402 1
1 578 . 3 1 1 A 51 51 LYS CA C 51 57.452 58.586 -1.134 1
1 579 . 3 1 1 A 51 51 LYS HA H 51 4.189 4.227 -0.038 1
1 580 . 3 1 1 A 51 51 LYS CB C 51 32.620 32.981 -0.361 1
1 590 . 3 1 1 A 51 51 LYS C C 51 177.670 178.673 -1.003 1
1 591 . 3 1 1 A 52 52 GLN N N 52 119.883 116.120 3.763 1
1 592 . 3 1 1 A 52 52 GLN H H 52 8.060 8.201 -0.141 1
1 593 . 3 1 1 A 52 52 GLN CA C 52 56.866 58.304 -1.438 1
1 594 . 3 1 1 A 52 52 GLN HA H 52 4.213 4.090 0.123 1
1 595 . 3 1 1 A 52 52 GLN CB C 52 28.969 27.527 1.442 1
1 604 . 3 1 1 A 52 52 GLN C C 52 176.851 176.479 0.372 1
1 605 . 3 1 1 A 53 53 LEU N N 53 121.489 123.616 -2.127 1
1 606 . 3 1 1 A 53 53 LEU H H 53 8.027 7.479 0.548 1
1 607 . 3 1 1 A 53 53 LEU CA C 53 55.826 55.879 -0.053 1
1 608 . 3 1 1 A 53 53 LEU HA H 53 4.288 4.125 0.163 1
1 609 . 3 1 1 A 53 53 LEU CB C 53 42.379 41.505 0.874 1
1 622 . 3 1 1 A 53 53 LEU C C 53 177.973 175.987 1.986 1
1 623 . 3 1 1 A 54 54 GLU N N 54 120.395 125.768 -5.373 1
1 624 . 3 1 1 A 54 54 GLU H H 54 8.141 8.212 -0.071 1
1 625 . 3 1 1 A 54 54 GLU CA C 54 56.906 54.790 2.116 1
1 626 . 3 1 1 A 54 54 GLU HA H 54 4.291 4.864 -0.573 1
1 627 . 3 1 1 A 54 54 GLU CB C 54 30.228 31.284 -1.056 1
1 633 . 3 1 1 A 54 54 GLU C C 54 176.762 175.413 1.349 1
1 634 . 3 1 1 A 55 55 SER N N 55 115.834 117.123 -1.289 1
1 635 . 3 1 1 A 55 55 SER H H 55 8.178 8.737 -0.559 1
1 636 . 3 1 1 A 55 55 SER CA C 55 58.606 56.974 1.632 1
1 637 . 3 1 1 A 55 55 SER HA H 55 4.492 4.795 -0.303 1
1 638 . 3 1 1 A 55 55 SER CB C 55 63.869 64.146 -0.277 1
1 641 . 3 1 1 A 55 55 SER C C 55 174.614 174.413 0.201 1
1 642 . 3 1 1 A 56 56 GLY N N 56 110.601 115.070 -4.469 1
1 643 . 3 1 1 A 56 56 GLY H H 56 8.163 8.793 -0.630 1
1 644 . 3 1 1 A 56 56 GLY CA C 56 44.731 44.507 0.224 1
1 645 . 3 1 1 A 56 56 GLY HA2 H 56 4.098 4.066 0.032 1
1 646 . 3 1 1 A 56 56 GLY HA3 H 56 4.167 4.066 0.101 1
1 647 . 3 1 1 A 56 56 GLY C C 56 171.805 174.167 -2.362 1
1 648 . 3 1 1 A 57 57 PRO CA C 57 63.271 64.190 -0.919 1
1 649 . 3 1 1 A 57 57 PRO HA H 57 4.475 4.495 -0.020 1
1 650 . 3 1 1 A 57 57 PRO CB C 57 32.133 31.988 0.145 1
1 659 . 3 1 1 A 57 57 PRO C C 57 177.422 176.347 1.075 1
1 660 . 3 1 1 A 58 58 SER N N 58 116.422 115.859 0.563 1
1 661 . 3 1 1 A 58 58 SER H H 58 8.524 7.746 0.778 1
1 662 . 3 1 1 A 58 58 SER CA C 58 58.457 60.304 -1.847 1
1 663 . 3 1 1 A 58 58 SER HA H 58 4.494 4.379 0.115 1
1 664 . 3 1 1 A 58 58 SER CB C 58 63.945 63.748 0.197 1
1 667 . 3 1 1 A 58 58 SER C C 58 174.720 173.850 0.870 1
1 668 . 3 1 1 A 59 59 SER N N 59 117.951 119.398 -1.447 1
1 669 . 3 1 1 A 59 59 SER H H 59 8.342 8.764 -0.422 1
1 670 . 3 1 1 A 59 59 SER CA C 59 58.327 56.599 1.728 1
1 671 . 3 1 1 A 59 59 SER HA H 59 4.491 5.156 -0.665 1
1 672 . 3 1 1 A 59 59 SER CB C 59 63.965 66.582 -2.617 1
1 675 . 3 1 1 A 59 59 SER C C 59 173.967 174.273 -0.306 1
1 1 . 4 1 1 A 5 5 SER N N 5 115.829 115.465 0.364 1
1 2 . 4 1 1 A 5 5 SER CA C 5 58.317 57.709 0.608 1
1 3 . 4 1 1 A 5 5 SER CB C 5 63.703 65.376 -1.673 1
1 4 . 4 1 1 A 5 5 SER C C 5 174.849 173.893 0.956 1
1 5 . 4 1 1 A 6 6 SER N N 6 117.994 119.934 -1.940 1
1 6 . 4 1 1 A 6 6 SER CA C 6 58.677 62.401 -3.724 1
1 7 . 4 1 1 A 6 6 SER HA H 6 4.501 4.476 0.025 1
1 8 . 4 1 1 A 6 6 SER CB C 6 63.732 63.676 0.056 1
1 10 . 4 1 1 A 6 6 SER C C 6 175.043 175.693 -0.650 1
1 11 . 4 1 1 A 7 7 GLY N N 7 110.716 108.203 2.513 1
1 12 . 4 1 1 A 7 7 GLY H H 7 8.429 7.800 0.629 1
1 13 . 4 1 1 A 7 7 GLY CA C 7 45.403 45.322 0.081 1
1 14 . 4 1 1 A 7 7 GLY HA2 H 7 3.976 4.008 -0.032 1
1 15 . 4 1 1 A 7 7 GLY HA3 H 7 3.976 4.013 -0.037 1
1 16 . 4 1 1 A 7 7 GLY C C 7 174.231 174.654 -0.423 1
1 17 . 4 1 1 A 8 8 LEU N N 8 121.547 120.338 1.209 1
1 18 . 4 1 1 A 8 8 LEU H H 8 8.132 8.491 -0.359 1
1 19 . 4 1 1 A 8 8 LEU CA C 8 55.233 53.589 1.644 1
1 20 . 4 1 1 A 8 8 LEU HA H 8 4.356 4.604 -0.248 1
1 21 . 4 1 1 A 8 8 LEU CB C 8 42.416 41.231 1.185 1
1 31 . 4 1 1 A 8 8 LEU C C 8 177.479 176.469 1.010 1
1 32 . 4 1 1 A 9 9 ASP N N 9 120.983 122.307 -1.324 1
1 33 . 4 1 1 A 9 9 ASP H H 9 8.413 7.962 0.451 1
1 34 . 4 1 1 A 9 9 ASP CA C 9 54.826 55.198 -0.372 1
1 35 . 4 1 1 A 9 9 ASP HA H 9 4.555 4.628 -0.073 1
1 36 . 4 1 1 A 9 9 ASP CB C 9 40.967 41.456 -0.489 1
1 39 . 4 1 1 A 9 9 ASP C C 9 176.609 175.982 0.627 1
1 40 . 4 1 1 A 10 10 SER N N 10 115.538 113.927 1.611 1
1 41 . 4 1 1 A 10 10 SER H H 10 8.146 8.627 -0.481 1
1 42 . 4 1 1 A 10 10 SER CA C 10 58.926 56.770 2.156 1
1 43 . 4 1 1 A 10 10 SER HA H 10 4.361 4.883 -0.522 1
1 44 . 4 1 1 A 10 10 SER CB C 10 63.924 66.101 -2.177 1
1 47 . 4 1 1 A 10 10 SER C C 10 174.922 175.025 -0.103 1
1 48 . 4 1 1 A 11 11 GLU N N 11 122.324 119.808 2.516 1
1 49 . 4 1 1 A 11 11 GLU H H 11 8.416 9.026 -0.610 1
1 50 . 4 1 1 A 11 11 GLU CA C 11 56.763 59.011 -2.248 1
1 51 . 4 1 1 A 11 11 GLU HA H 11 4.262 3.705 0.557 1
1 52 . 4 1 1 A 11 11 GLU CB C 11 29.860 29.284 0.576 1
1 58 . 4 1 1 A 11 11 GLU C C 11 176.347 176.834 -0.487 1
1 59 . 4 1 1 A 12 12 LEU N N 12 121.580 116.986 4.594 1
1 60 . 4 1 1 A 12 12 LEU H H 12 7.957 8.009 -0.052 1
1 61 . 4 1 1 A 12 12 LEU CA C 12 54.921 56.287 -1.366 1
1 62 . 4 1 1 A 12 12 LEU HA H 12 4.311 3.886 0.425 1
1 63 . 4 1 1 A 12 12 LEU CB C 12 42.313 40.462 1.851 1
1 76 . 4 1 1 A 12 12 LEU C C 12 176.945 175.984 0.961 1
1 77 . 4 1 1 A 13 13 GLU N N 13 122.146 110.032 12.114 1
1 78 . 4 1 1 A 13 13 GLU H H 13 8.088 8.447 -0.359 1
1 79 . 4 1 1 A 13 13 GLU CA C 13 56.222 57.104 -0.882 1
1 80 . 4 1 1 A 13 13 GLU HA H 13 4.236 3.789 0.447 1
1 81 . 4 1 1 A 13 13 GLU CB C 13 30.332 27.542 2.790 1
1 86 . 4 1 1 A 13 13 GLU C C 13 175.667 175.873 -0.206 1
1 87 . 4 1 1 A 14 14 LEU N N 14 123.302 120.304 2.998 1
1 88 . 4 1 1 A 14 14 LEU H H 14 8.331 7.815 0.516 1
1 89 . 4 1 1 A 14 14 LEU CA C 14 52.689 53.744 -1.055 1
1 90 . 4 1 1 A 14 14 LEU HA H 14 4.376 4.078 0.298 1
1 91 . 4 1 1 A 14 14 LEU CB C 14 41.859 41.216 0.643 1
1 104 . 4 1 1 A 14 14 LEU C C 14 174.694 177.211 -2.517 1
1 105 . 4 1 1 A 15 15 PRO CA C 15 61.808 65.904 -4.096 1
1 106 . 4 1 1 A 15 15 PRO HA H 15 4.509 4.424 0.085 1
1 107 . 4 1 1 A 15 15 PRO CB C 15 31.501 31.545 -0.044 1
1 116 . 4 1 1 A 15 15 PRO C C 15 175.733 176.514 -0.781 1
1 117 . 4 1 1 A 16 16 ALA N N 16 123.226 117.063 6.163 1
1 118 . 4 1 1 A 16 16 ALA H H 16 8.427 8.081 0.346 1
1 119 . 4 1 1 A 16 16 ALA CA C 16 53.836 51.495 2.341 1
1 120 . 4 1 1 A 16 16 ALA HA H 16 4.235 4.799 -0.564 1
1 121 . 4 1 1 A 16 16 ALA CB C 16 18.391 22.775 -4.384 1
1 125 . 4 1 1 A 16 16 ALA C C 16 178.641 177.105 1.536 1
1 126 . 4 1 1 A 17 17 GLY N N 17 110.263 109.909 0.354 1
1 127 . 4 1 1 A 17 17 GLY H H 17 8.816 8.755 0.061 1
1 128 . 4 1 1 A 17 17 GLY CA C 17 45.465 46.113 -0.648 1
1 129 . 4 1 1 A 17 17 GLY HA2 H 17 3.759 3.775 -0.016 1
1 130 . 4 1 1 A 17 17 GLY HA3 H 17 4.261 3.906 0.355 1
1 131 . 4 1 1 A 17 17 GLY C C 17 173.251 173.712 -0.461 1
1 132 . 4 1 1 A 18 18 TRP N N 18 118.263 119.303 -1.040 1
1 133 . 4 1 1 A 18 18 TRP H H 18 7.782 7.959 -0.177 1
1 134 . 4 1 1 A 18 18 TRP CA C 18 56.679 56.150 0.529 1
1 135 . 4 1 1 A 18 18 TRP HA H 18 5.840 5.211 0.629 1
1 136 . 4 1 1 A 18 18 TRP CB C 18 32.215 32.876 -0.661 1
1 151 . 4 1 1 A 18 18 TRP C C 18 177.038 174.768 2.270 1
1 152 . 4 1 1 A 19 19 GLU N N 19 122.023 124.383 -2.360 1
1 153 . 4 1 1 A 19 19 GLU H H 19 9.480 8.830 0.650 1
1 154 . 4 1 1 A 19 19 GLU CA C 19 55.126 55.095 0.031 1
1 155 . 4 1 1 A 19 19 GLU HA H 19 4.679 5.135 -0.456 1
1 156 . 4 1 1 A 19 19 GLU CB C 19 34.865 33.487 1.378 1
1 162 . 4 1 1 A 19 19 GLU C C 19 173.752 175.118 -1.366 1
1 163 . 4 1 1 A 20 20 LYS N N 20 127.008 127.874 -0.866 1
1 164 . 4 1 1 A 20 20 LYS H H 20 8.848 8.585 0.263 1
1 165 . 4 1 1 A 20 20 LYS CA C 20 55.531 56.532 -1.001 1
1 166 . 4 1 1 A 20 20 LYS HA H 20 4.379 4.729 -0.350 1
1 167 . 4 1 1 A 20 20 LYS CB C 20 33.946 32.903 1.043 1
1 178 . 4 1 1 A 20 20 LYS C C 20 174.530 174.959 -0.429 1
1 179 . 4 1 1 A 21 21 ILE N N 21 130.740 129.116 1.624 1
1 180 . 4 1 1 A 21 21 ILE H H 21 8.894 9.170 -0.276 1
1 181 . 4 1 1 A 21 21 ILE CA C 21 58.996 60.247 -1.251 1
1 182 . 4 1 1 A 21 21 ILE HA H 21 4.035 4.457 -0.422 1
1 183 . 4 1 1 A 21 21 ILE CB C 21 38.249 38.839 -0.590 1
1 196 . 4 1 1 A 21 21 ILE C C 21 173.612 174.443 -0.831 1
1 197 . 4 1 1 A 22 22 GLU N N 22 124.546 127.661 -3.115 1
1 198 . 4 1 1 A 22 22 GLU H H 22 8.273 8.785 -0.512 1
1 199 . 4 1 1 A 22 22 GLU CA C 22 54.652 55.347 -0.695 1
1 200 . 4 1 1 A 22 22 GLU HA H 22 4.429 4.697 -0.268 1
1 201 . 4 1 1 A 22 22 GLU CB C 22 29.876 30.907 -1.031 1
1 207 . 4 1 1 A 22 22 GLU C C 22 174.548 175.242 -0.694 1
1 208 . 4 1 1 A 23 23 ASP N N 23 128.325 126.110 2.215 1
1 209 . 4 1 1 A 23 23 ASP H H 23 8.368 8.942 -0.574 1
1 210 . 4 1 1 A 23 23 ASP CA C 23 51.555 50.546 1.009 1
1 211 . 4 1 1 A 23 23 ASP HA H 23 5.093 5.216 -0.123 1
1 212 . 4 1 1 A 23 23 ASP CB C 23 45.902 42.722 3.180 1
1 215 . 4 1 1 A 23 23 ASP C C 23 175.729 176.075 -0.346 1
1 216 . 4 1 1 A 24 24 PRO CA C 24 64.824 64.888 -0.064 1
1 217 . 4 1 1 A 24 24 PRO HA H 24 4.356 4.447 -0.091 1
1 218 . 4 1 1 A 24 24 PRO CB C 24 32.297 32.214 0.083 1
1 227 . 4 1 1 A 24 24 PRO C C 24 176.540 177.507 -0.967 1
1 228 . 4 1 1 A 25 25 VAL N N 25 118.640 116.263 2.377 1
1 229 . 4 1 1 A 25 25 VAL H H 25 8.485 7.818 0.667 1
1 230 . 4 1 1 A 25 25 VAL CA C 25 64.125 64.138 -0.013 1
1 231 . 4 1 1 A 25 25 VAL HA H 25 3.856 3.940 -0.084 1
1 232 . 4 1 1 A 25 25 VAL CB C 25 33.098 32.497 0.601 1
1 242 . 4 1 1 A 25 25 VAL C C 25 177.626 177.375 0.251 1
1 243 . 4 1 1 A 26 26 TYR N N 26 117.602 117.092 0.510 1
1 244 . 4 1 1 A 26 26 TYR H H 26 8.632 8.314 0.318 1
1 245 . 4 1 1 A 26 26 TYR CA C 26 59.189 59.505 -0.316 1
1 246 . 4 1 1 A 26 26 TYR HA H 26 4.469 4.506 -0.037 1
1 247 . 4 1 1 A 26 26 TYR CB C 26 39.193 38.829 0.364 1
1 258 . 4 1 1 A 26 26 TYR C C 26 176.124 176.544 -0.420 1
1 259 . 4 1 1 A 27 27 GLY N N 27 110.042 106.694 3.348 1
1 260 . 4 1 1 A 27 27 GLY H H 27 8.181 7.917 0.264 1
1 261 . 4 1 1 A 27 27 GLY CA C 27 44.979 44.579 0.400 1
1 262 . 4 1 1 A 27 27 GLY HA2 H 27 3.890 4.097 -0.207 1
1 263 . 4 1 1 A 27 27 GLY HA3 H 27 4.390 4.101 0.289 1
1 264 . 4 1 1 A 27 27 GLY C C 27 173.043 173.367 -0.324 1
1 265 . 4 1 1 A 28 28 ILE N N 28 121.278 121.274 0.004 1
1 266 . 4 1 1 A 28 28 ILE H H 28 8.259 8.197 0.062 1
1 267 . 4 1 1 A 28 28 ILE CA C 28 60.867 60.972 -0.105 1
1 268 . 4 1 1 A 28 28 ILE HA H 28 4.900 4.824 0.076 1
1 269 . 4 1 1 A 28 28 ILE CB C 28 38.763 38.326 0.437 1
1 282 . 4 1 1 A 28 28 ILE C C 28 176.805 174.870 1.935 1
1 283 . 4 1 1 A 29 29 TYR N N 29 124.534 123.921 0.613 1
1 284 . 4 1 1 A 29 29 TYR H H 29 8.822 8.660 0.162 1
1 285 . 4 1 1 A 29 29 TYR CA C 29 56.332 55.532 0.800 1
1 286 . 4 1 1 A 29 29 TYR HA H 29 4.712 4.958 -0.246 1
1 287 . 4 1 1 A 29 29 TYR CB C 29 38.879 41.575 -2.696 1
1 298 . 4 1 1 A 29 29 TYR C C 29 170.710 172.024 -1.314 1
1 299 . 4 1 1 A 30 30 TYR N N 30 116.432 120.282 -3.850 1
1 300 . 4 1 1 A 30 30 TYR H H 30 8.981 8.905 0.076 1
1 301 . 4 1 1 A 30 30 TYR CA C 30 56.921 57.599 -0.678 1
1 302 . 4 1 1 A 30 30 TYR HA H 30 5.417 5.741 -0.324 1
1 303 . 4 1 1 A 30 30 TYR CB C 30 41.603 40.390 1.213 1
1 314 . 4 1 1 A 30 30 TYR C C 30 174.825 175.010 -0.185 1
1 315 . 4 1 1 A 31 31 VAL N N 31 121.385 124.070 -2.685 1
1 316 . 4 1 1 A 31 31 VAL H H 31 9.266 9.068 0.198 1
1 317 . 4 1 1 A 31 31 VAL CA C 31 60.346 59.722 0.624 1
1 318 . 4 1 1 A 31 31 VAL HA H 31 4.610 4.895 -0.285 1
1 319 . 4 1 1 A 31 31 VAL CB C 31 35.393 34.192 1.201 1
1 329 . 4 1 1 A 31 31 VAL C C 31 173.103 173.495 -0.392 1
1 330 . 4 1 1 A 32 32 ASP N N 32 126.129 126.966 -0.837 1
1 331 . 4 1 1 A 32 32 ASP H H 32 8.340 8.710 -0.370 1
1 332 . 4 1 1 A 32 32 ASP CA C 32 51.134 53.579 -2.445 1
1 333 . 4 1 1 A 32 32 ASP HA H 32 3.702 5.116 -1.414 1
1 334 . 4 1 1 A 32 32 ASP CB C 32 39.252 41.283 -2.031 1
1 337 . 4 1 1 A 32 32 ASP C C 32 177.731 175.698 2.033 1
1 338 . 4 1 1 A 33 33 HIS N N 33 121.984 122.103 -0.119 1
1 339 . 4 1 1 A 33 33 HIS H H 33 8.728 8.548 0.180 1
1 340 . 4 1 1 A 33 33 HIS CA C 33 58.404 57.106 1.298 1
1 341 . 4 1 1 A 33 33 HIS HA H 33 4.218 4.569 -0.351 1
1 342 . 4 1 1 A 33 33 HIS CB C 33 30.594 29.042 1.552 1
1 349 . 4 1 1 A 33 33 HIS C C 33 176.844 175.736 1.108 1
1 350 . 4 1 1 A 34 34 ILE N N 34 120.023 117.093 2.930 1
1 351 . 4 1 1 A 34 34 ILE H H 34 8.090 7.469 0.621 1
1 352 . 4 1 1 A 34 34 ILE CA C 34 63.382 62.495 0.887 1
1 353 . 4 1 1 A 34 34 ILE HA H 34 3.845 4.075 -0.230 1
1 354 . 4 1 1 A 34 34 ILE CB C 34 37.023 40.254 -3.231 1
1 367 . 4 1 1 A 34 34 ILE C C 34 177.464 177.273 0.191 1
1 368 . 4 1 1 A 35 35 ASN N N 35 115.543 117.413 -1.870 1
1 369 . 4 1 1 A 35 35 ASN H H 35 7.620 7.767 -0.147 1
1 370 . 4 1 1 A 35 35 ASN CA C 35 53.139 52.780 0.359 1
1 371 . 4 1 1 A 35 35 ASN HA H 35 4.587 4.772 -0.185 1
1 372 . 4 1 1 A 35 35 ASN CB C 35 38.909 38.980 -0.071 1
1 378 . 4 1 1 A 35 35 ASN C C 35 173.887 174.451 -0.564 1
1 379 . 4 1 1 A 36 36 ARG N N 36 117.698 116.697 1.001 1
1 380 . 4 1 1 A 36 36 ARG H H 36 7.596 7.537 0.059 1
1 381 . 4 1 1 A 36 36 ARG CA C 36 56.824 57.066 -0.242 1
1 382 . 4 1 1 A 36 36 ARG HA H 36 3.850 3.824 0.026 1
1 383 . 4 1 1 A 36 36 ARG CB C 36 26.161 27.637 -1.476 1
1 390 . 4 1 1 A 36 36 ARG C C 36 174.732 174.674 0.058 1
1 391 . 4 1 1 A 37 37 LYS N N 37 117.773 114.176 3.597 1
1 392 . 4 1 1 A 37 37 LYS H H 37 7.471 7.443 0.028 1
1 393 . 4 1 1 A 37 37 LYS CA C 37 54.528 54.736 -0.208 1
1 394 . 4 1 1 A 37 37 LYS HA H 37 4.795 4.984 -0.189 1
1 395 . 4 1 1 A 37 37 LYS CB C 37 36.493 36.299 0.194 1
1 404 . 4 1 1 A 37 37 LYS C C 37 174.870 174.629 0.241 1
1 405 . 4 1 1 A 38 38 THR N N 38 114.635 111.491 3.144 1
1 406 . 4 1 1 A 38 38 THR H H 38 8.322 8.559 -0.237 1
1 407 . 4 1 1 A 38 38 THR CA C 38 60.506 60.225 0.281 1
1 408 . 4 1 1 A 38 38 THR HA H 38 5.390 5.540 -0.150 1
1 409 . 4 1 1 A 38 38 THR CB C 38 71.424 72.383 -0.959 1
1 415 . 4 1 1 A 38 38 THR C C 38 173.840 173.197 0.643 1
1 416 . 4 1 1 A 39 39 GLN N N 39 117.672 119.907 -2.235 1
1 417 . 4 1 1 A 39 39 GLN H H 39 9.335 8.843 0.492 1
1 418 . 4 1 1 A 39 39 GLN CA C 39 54.878 54.376 0.502 1
1 419 . 4 1 1 A 39 39 GLN HA H 39 4.899 5.040 -0.141 1
1 420 . 4 1 1 A 39 39 GLN CB C 39 32.186 31.617 0.569 1
1 429 . 4 1 1 A 39 39 GLN C C 39 174.549 174.825 -0.276 1
1 430 . 4 1 1 A 40 40 TYR N N 40 119.391 119.797 -0.406 1
1 431 . 4 1 1 A 40 40 TYR H H 40 8.858 8.942 -0.084 1
1 432 . 4 1 1 A 40 40 TYR CA C 40 60.804 60.191 0.613 1
1 433 . 4 1 1 A 40 40 TYR HA H 40 4.752 4.562 0.190 1
1 434 . 4 1 1 A 40 40 TYR CB C 40 39.167 39.654 -0.487 1
1 445 . 4 1 1 A 40 40 TYR C C 40 176.295 176.582 -0.287 1
1 446 . 4 1 1 A 41 41 GLU N N 41 119.491 118.286 1.205 1
1 447 . 4 1 1 A 41 41 GLU H H 41 8.079 8.026 0.053 1
1 448 . 4 1 1 A 41 41 GLU CA C 41 56.296 57.082 -0.786 1
1 449 . 4 1 1 A 41 41 GLU HA H 41 4.351 4.273 0.078 1
1 450 . 4 1 1 A 41 41 GLU CB C 41 30.517 30.021 0.496 1
1 456 . 4 1 1 A 41 41 GLU C C 41 175.460 176.540 -1.080 1
1 457 . 4 1 1 A 42 42 ASN N N 42 125.050 125.345 -0.295 1
1 458 . 4 1 1 A 42 42 ASN H H 42 8.720 8.786 -0.066 1
1 459 . 4 1 1 A 42 42 ASN CA C 42 51.186 51.233 -0.047 1
1 460 . 4 1 1 A 42 42 ASN HA H 42 2.979 4.834 -1.855 1
1 461 . 4 1 1 A 42 42 ASN CB C 42 38.637 39.374 -0.737 1
1 467 . 4 1 1 A 42 42 ASN C C 42 174.950 175.627 -0.677 1
1 468 . 4 1 1 A 43 43 PRO CA C 43 63.681 65.202 -1.521 1
1 469 . 4 1 1 A 43 43 PRO HA H 43 3.869 4.164 -0.295 1
1 470 . 4 1 1 A 43 43 PRO CB C 43 31.408 30.984 0.424 1
1 479 . 4 1 1 A 43 43 PRO C C 43 178.273 178.618 -0.345 1
1 480 . 4 1 1 A 44 44 VAL N N 44 119.901 115.488 4.413 1
1 481 . 4 1 1 A 44 44 VAL H H 44 7.968 7.330 0.638 1
1 482 . 4 1 1 A 44 44 VAL CA C 44 64.744 65.761 -1.017 1
1 483 . 4 1 1 A 44 44 VAL HA H 44 3.646 3.512 0.134 1
1 484 . 4 1 1 A 44 44 VAL CB C 44 31.581 31.350 0.231 1
1 494 . 4 1 1 A 44 44 VAL C C 44 177.625 178.287 -0.662 1
1 495 . 4 1 1 A 45 45 LEU N N 45 120.711 119.404 1.307 1
1 496 . 4 1 1 A 45 45 LEU H H 45 7.076 7.996 -0.920 1
1 497 . 4 1 1 A 45 45 LEU CA C 45 56.822 58.143 -1.321 1
1 498 . 4 1 1 A 45 45 LEU HA H 45 3.994 3.894 0.100 1
1 499 . 4 1 1 A 45 45 LEU CB C 45 41.194 41.173 0.021 1
1 512 . 4 1 1 A 45 45 LEU C C 45 179.099 178.925 0.174 1
1 513 . 4 1 1 A 46 46 GLU N N 46 120.581 119.844 0.737 1
1 514 . 4 1 1 A 46 46 GLU H H 46 8.001 7.921 0.080 1
1 515 . 4 1 1 A 46 46 GLU CA C 46 58.462 59.419 -0.957 1
1 516 . 4 1 1 A 46 46 GLU HA H 46 3.961 4.040 -0.079 1
1 517 . 4 1 1 A 46 46 GLU CB C 46 29.956 29.420 0.536 1
1 523 . 4 1 1 A 46 46 GLU C C 46 177.685 178.526 -0.841 1
1 524 . 4 1 1 A 47 47 ALA N N 47 121.265 121.027 0.238 1
1 525 . 4 1 1 A 47 47 ALA H H 47 7.625 8.055 -0.430 1
1 526 . 4 1 1 A 47 47 ALA CA C 47 54.438 54.952 -0.514 1
1 527 . 4 1 1 A 47 47 ALA HA H 47 4.082 4.110 -0.028 1
1 528 . 4 1 1 A 47 47 ALA CB C 47 18.192 18.550 -0.358 1
1 532 . 4 1 1 A 47 47 ALA C C 47 179.879 179.679 0.200 1
1 533 . 4 1 1 A 48 48 LYS N N 48 118.414 116.647 1.767 1
1 534 . 4 1 1 A 48 48 LYS H H 48 7.776 7.978 -0.202 1
1 535 . 4 1 1 A 48 48 LYS CA C 48 58.491 58.925 -0.434 1
1 536 . 4 1 1 A 48 48 LYS HA H 48 4.063 4.073 -0.010 1
1 537 . 4 1 1 A 48 48 LYS CB C 48 32.565 31.602 0.963 1
1 547 . 4 1 1 A 48 48 LYS C C 48 178.235 178.560 -0.325 1
1 548 . 4 1 1 A 49 49 ARG N N 49 120.324 119.856 0.468 1
1 549 . 4 1 1 A 49 49 ARG H H 49 7.968 8.137 -0.169 1
1 550 . 4 1 1 A 49 49 ARG CA C 49 58.156 58.600 -0.444 1
1 551 . 4 1 1 A 49 49 ARG HA H 49 4.140 4.085 0.055 1
1 552 . 4 1 1 A 49 49 ARG CB C 49 30.349 30.167 0.182 1
1 561 . 4 1 1 A 49 49 ARG C C 49 177.985 178.155 -0.170 1
1 562 . 4 1 1 A 50 50 LYS N N 50 120.001 117.963 2.038 1
1 563 . 4 1 1 A 50 50 LYS H H 50 8.051 8.360 -0.309 1
1 564 . 4 1 1 A 50 50 LYS CA C 50 58.185 58.423 -0.238 1
1 565 . 4 1 1 A 50 50 LYS HA H 50 4.099 4.159 -0.060 1
1 566 . 4 1 1 A 50 50 LYS CB C 50 32.645 32.400 0.245 1
1 575 . 4 1 1 A 50 50 LYS C C 50 177.791 178.786 -0.995 1
1 576 . 4 1 1 A 51 51 LYS N N 51 120.458 120.072 0.386 1
1 577 . 4 1 1 A 51 51 LYS H H 51 7.915 8.221 -0.306 1
1 578 . 4 1 1 A 51 51 LYS CA C 51 57.452 58.904 -1.452 1
1 579 . 4 1 1 A 51 51 LYS HA H 51 4.189 4.147 0.042 1
1 580 . 4 1 1 A 51 51 LYS CB C 51 32.620 32.597 0.023 1
1 590 . 4 1 1 A 51 51 LYS C C 51 177.670 178.507 -0.837 1
1 591 . 4 1 1 A 52 52 GLN N N 52 119.883 116.049 3.834 1
1 592 . 4 1 1 A 52 52 GLN H H 52 8.060 8.020 0.040 1
1 593 . 4 1 1 A 52 52 GLN CA C 52 56.866 58.341 -1.475 1
1 594 . 4 1 1 A 52 52 GLN HA H 52 4.213 4.129 0.084 1
1 595 . 4 1 1 A 52 52 GLN CB C 52 28.969 28.133 0.836 1
1 604 . 4 1 1 A 52 52 GLN C C 52 176.851 176.511 0.340 1
1 605 . 4 1 1 A 53 53 LEU N N 53 121.489 122.434 -0.945 1
1 606 . 4 1 1 A 53 53 LEU H H 53 8.027 7.565 0.462 1
1 607 . 4 1 1 A 53 53 LEU CA C 53 55.826 55.545 0.281 1
1 608 . 4 1 1 A 53 53 LEU HA H 53 4.288 4.121 0.167 1
1 609 . 4 1 1 A 53 53 LEU CB C 53 42.379 41.856 0.523 1
1 622 . 4 1 1 A 53 53 LEU C C 53 177.973 176.199 1.774 1
1 623 . 4 1 1 A 54 54 GLU N N 54 120.395 125.067 -4.672 1
1 624 . 4 1 1 A 54 54 GLU H H 54 8.141 8.654 -0.513 1
1 625 . 4 1 1 A 54 54 GLU CA C 54 56.906 56.497 0.409 1
1 626 . 4 1 1 A 54 54 GLU HA H 54 4.291 4.581 -0.290 1
1 627 . 4 1 1 A 54 54 GLU CB C 54 30.228 30.266 -0.038 1
1 633 . 4 1 1 A 54 54 GLU C C 54 176.762 176.443 0.319 1
1 634 . 4 1 1 A 55 55 SER N N 55 115.834 117.789 -1.955 1
1 635 . 4 1 1 A 55 55 SER H H 55 8.178 8.589 -0.411 1
1 636 . 4 1 1 A 55 55 SER CA C 55 58.606 56.475 2.131 1
1 637 . 4 1 1 A 55 55 SER HA H 55 4.492 4.971 -0.479 1
1 638 . 4 1 1 A 55 55 SER CB C 55 63.869 65.289 -1.420 1
1 641 . 4 1 1 A 55 55 SER C C 55 174.614 174.246 0.368 1
1 642 . 4 1 1 A 56 56 GLY N N 56 110.601 109.069 1.532 1
1 643 . 4 1 1 A 56 56 GLY H H 56 8.163 8.597 -0.434 1
1 644 . 4 1 1 A 56 56 GLY CA C 56 44.731 44.535 0.196 1
1 645 . 4 1 1 A 56 56 GLY HA2 H 56 4.098 4.140 -0.042 1
1 646 . 4 1 1 A 56 56 GLY HA3 H 56 4.167 4.140 0.027 1
1 647 . 4 1 1 A 56 56 GLY C C 56 171.805 174.089 -2.284 1
1 648 . 4 1 1 A 57 57 PRO CA C 57 63.271 64.192 -0.921 1
1 649 . 4 1 1 A 57 57 PRO HA H 57 4.475 4.508 -0.033 1
1 650 . 4 1 1 A 57 57 PRO CB C 57 32.133 32.017 0.116 1
1 659 . 4 1 1 A 57 57 PRO C C 57 177.422 176.755 0.667 1
1 660 . 4 1 1 A 58 58 SER N N 58 116.422 112.806 3.616 1
1 661 . 4 1 1 A 58 58 SER H H 58 8.524 7.702 0.822 1
1 662 . 4 1 1 A 58 58 SER CA C 58 58.457 58.708 -0.251 1
1 663 . 4 1 1 A 58 58 SER HA H 58 4.494 4.399 0.095 1
1 664 . 4 1 1 A 58 58 SER CB C 58 63.945 63.479 0.466 1
1 667 . 4 1 1 A 58 58 SER C C 58 174.720 174.833 -0.113 1
1 668 . 4 1 1 A 59 59 SER N N 59 117.951 116.128 1.823 1
1 669 . 4 1 1 A 59 59 SER H H 59 8.342 8.566 -0.224 1
1 670 . 4 1 1 A 59 59 SER CA C 59 58.327 56.259 2.068 1
1 671 . 4 1 1 A 59 59 SER HA H 59 4.491 4.994 -0.503 1
1 672 . 4 1 1 A 59 59 SER CB C 59 63.965 65.516 -1.551 1
1 675 . 4 1 1 A 59 59 SER C C 59 173.967 174.715 -0.748 1
1 1 . 5 1 1 A 5 5 SER N N 5 115.829 117.861 -2.032 1
1 2 . 5 1 1 A 5 5 SER CA C 5 58.317 58.947 -0.630 1
1 3 . 5 1 1 A 5 5 SER CB C 5 63.703 61.384 2.319 1
1 4 . 5 1 1 A 5 5 SER C C 5 174.849 174.377 0.472 1
1 5 . 5 1 1 A 6 6 SER N N 6 117.994 116.875 1.119 1
1 6 . 5 1 1 A 6 6 SER CA C 6 58.677 58.742 -0.065 1
1 7 . 5 1 1 A 6 6 SER HA H 6 4.501 4.311 0.190 1
1 8 . 5 1 1 A 6 6 SER CB C 6 63.732 63.496 0.236 1
1 10 . 5 1 1 A 6 6 SER C C 6 175.043 174.080 0.963 1
1 11 . 5 1 1 A 7 7 GLY N N 7 110.716 113.852 -3.136 1
1 12 . 5 1 1 A 7 7 GLY H H 7 8.429 8.608 -0.179 1
1 13 . 5 1 1 A 7 7 GLY CA C 7 45.403 44.785 0.618 1
1 14 . 5 1 1 A 7 7 GLY HA2 H 7 3.976 4.412 -0.436 1
1 15 . 5 1 1 A 7 7 GLY HA3 H 7 3.976 4.416 -0.440 1
1 16 . 5 1 1 A 7 7 GLY C C 7 174.231 172.821 1.410 1
1 17 . 5 1 1 A 8 8 LEU N N 8 121.547 117.324 4.223 1
1 18 . 5 1 1 A 8 8 LEU H H 8 8.132 8.789 -0.657 1
1 19 . 5 1 1 A 8 8 LEU CA C 8 55.233 52.342 2.891 1
1 20 . 5 1 1 A 8 8 LEU HA H 8 4.356 5.258 -0.902 1
1 21 . 5 1 1 A 8 8 LEU CB C 8 42.416 45.344 -2.928 1
1 31 . 5 1 1 A 8 8 LEU C C 8 177.479 174.955 2.524 1
1 32 . 5 1 1 A 9 9 ASP N N 9 120.983 118.690 2.293 1
1 33 . 5 1 1 A 9 9 ASP H H 9 8.413 8.673 -0.260 1
1 34 . 5 1 1 A 9 9 ASP CA C 9 54.826 53.165 1.661 1
1 35 . 5 1 1 A 9 9 ASP HA H 9 4.555 5.316 -0.761 1
1 36 . 5 1 1 A 9 9 ASP CB C 9 40.967 45.787 -4.820 1
1 39 . 5 1 1 A 9 9 ASP C C 9 176.609 174.441 2.168 1
1 40 . 5 1 1 A 10 10 SER N N 10 115.538 113.717 1.821 1
1 41 . 5 1 1 A 10 10 SER H H 10 8.146 8.611 -0.465 1
1 42 . 5 1 1 A 10 10 SER CA C 10 58.926 57.111 1.815 1
1 43 . 5 1 1 A 10 10 SER HA H 10 4.361 4.815 -0.454 1
1 44 . 5 1 1 A 10 10 SER CB C 10 63.924 66.051 -2.127 1
1 47 . 5 1 1 A 10 10 SER C C 10 174.922 174.894 0.028 1
1 48 . 5 1 1 A 11 11 GLU N N 11 122.324 120.328 1.996 1
1 49 . 5 1 1 A 11 11 GLU H H 11 8.416 9.227 -0.811 1
1 50 . 5 1 1 A 11 11 GLU CA C 11 56.763 59.014 -2.251 1
1 51 . 5 1 1 A 11 11 GLU HA H 11 4.262 3.724 0.538 1
1 52 . 5 1 1 A 11 11 GLU CB C 11 29.860 29.233 0.627 1
1 58 . 5 1 1 A 11 11 GLU C C 11 176.347 176.820 -0.473 1
1 59 . 5 1 1 A 12 12 LEU N N 12 121.580 117.044 4.536 1
1 60 . 5 1 1 A 12 12 LEU H H 12 7.957 8.016 -0.059 1
1 61 . 5 1 1 A 12 12 LEU CA C 12 54.921 56.304 -1.383 1
1 62 . 5 1 1 A 12 12 LEU HA H 12 4.311 3.888 0.423 1
1 63 . 5 1 1 A 12 12 LEU CB C 12 42.313 40.507 1.806 1
1 76 . 5 1 1 A 12 12 LEU C C 12 176.945 175.926 1.019 1
1 77 . 5 1 1 A 13 13 GLU N N 13 122.146 110.047 12.099 1
1 78 . 5 1 1 A 13 13 GLU H H 13 8.088 8.447 -0.359 1
1 79 . 5 1 1 A 13 13 GLU CA C 13 56.222 57.104 -0.882 1
1 80 . 5 1 1 A 13 13 GLU HA H 13 4.236 3.789 0.447 1
1 81 . 5 1 1 A 13 13 GLU CB C 13 30.332 27.544 2.788 1
1 86 . 5 1 1 A 13 13 GLU C C 13 175.667 175.872 -0.205 1
1 87 . 5 1 1 A 14 14 LEU N N 14 123.302 120.303 2.999 1
1 88 . 5 1 1 A 14 14 LEU H H 14 8.331 7.812 0.519 1
1 89 . 5 1 1 A 14 14 LEU CA C 14 52.689 53.744 -1.055 1
1 90 . 5 1 1 A 14 14 LEU HA H 14 4.376 4.067 0.309 1
1 91 . 5 1 1 A 14 14 LEU CB C 14 41.859 41.386 0.473 1
1 104 . 5 1 1 A 14 14 LEU C C 14 174.694 177.344 -2.650 1
1 105 . 5 1 1 A 15 15 PRO CA C 15 61.808 65.899 -4.091 1
1 106 . 5 1 1 A 15 15 PRO HA H 15 4.509 4.420 0.089 1
1 107 . 5 1 1 A 15 15 PRO CB C 15 31.501 31.540 -0.039 1
1 116 . 5 1 1 A 15 15 PRO C C 15 175.733 176.510 -0.777 1
1 117 . 5 1 1 A 16 16 ALA N N 16 123.226 117.057 6.169 1
1 118 . 5 1 1 A 16 16 ALA H H 16 8.427 8.074 0.353 1
1 119 . 5 1 1 A 16 16 ALA CA C 16 53.836 51.493 2.343 1
1 120 . 5 1 1 A 16 16 ALA HA H 16 4.235 4.797 -0.562 1
1 121 . 5 1 1 A 16 16 ALA CB C 16 18.391 22.773 -4.382 1
1 125 . 5 1 1 A 16 16 ALA C C 16 178.641 177.099 1.542 1
1 126 . 5 1 1 A 17 17 GLY N N 17 110.263 109.945 0.318 1
1 127 . 5 1 1 A 17 17 GLY H H 17 8.816 8.764 0.052 1
1 128 . 5 1 1 A 17 17 GLY CA C 17 45.465 46.099 -0.634 1
1 129 . 5 1 1 A 17 17 GLY HA2 H 17 3.759 3.763 -0.004 1
1 130 . 5 1 1 A 17 17 GLY HA3 H 17 4.261 3.894 0.367 1
1 131 . 5 1 1 A 17 17 GLY C C 17 173.251 173.623 -0.372 1
1 132 . 5 1 1 A 18 18 TRP N N 18 118.263 119.263 -1.000 1
1 133 . 5 1 1 A 18 18 TRP H H 18 7.782 7.941 -0.159 1
1 134 . 5 1 1 A 18 18 TRP CA C 18 56.679 56.094 0.585 1
1 135 . 5 1 1 A 18 18 TRP HA H 18 5.840 5.169 0.671 1
1 136 . 5 1 1 A 18 18 TRP CB C 18 32.215 32.776 -0.561 1
1 151 . 5 1 1 A 18 18 TRP C C 18 177.038 174.870 2.168 1
1 152 . 5 1 1 A 19 19 GLU N N 19 122.023 123.790 -1.767 1
1 153 . 5 1 1 A 19 19 GLU H H 19 9.480 8.888 0.592 1
1 154 . 5 1 1 A 19 19 GLU CA C 19 55.126 55.095 0.031 1
1 155 . 5 1 1 A 19 19 GLU HA H 19 4.679 5.146 -0.467 1
1 156 . 5 1 1 A 19 19 GLU CB C 19 34.865 33.312 1.553 1
1 162 . 5 1 1 A 19 19 GLU C C 19 173.752 175.059 -1.307 1
1 163 . 5 1 1 A 20 20 LYS N N 20 127.008 128.201 -1.193 1
1 164 . 5 1 1 A 20 20 LYS H H 20 8.848 8.698 0.150 1
1 165 . 5 1 1 A 20 20 LYS CA C 20 55.531 56.484 -0.953 1
1 166 . 5 1 1 A 20 20 LYS HA H 20 4.379 4.722 -0.343 1
1 167 . 5 1 1 A 20 20 LYS CB C 20 33.946 33.115 0.831 1
1 178 . 5 1 1 A 20 20 LYS C C 20 174.530 174.787 -0.257 1
1 179 . 5 1 1 A 21 21 ILE N N 21 130.740 129.091 1.649 1
1 180 . 5 1 1 A 21 21 ILE H H 21 8.894 9.130 -0.236 1
1 181 . 5 1 1 A 21 21 ILE CA C 21 58.996 59.902 -0.906 1
1 182 . 5 1 1 A 21 21 ILE HA H 21 4.035 4.398 -0.363 1
1 183 . 5 1 1 A 21 21 ILE CB C 21 38.249 38.103 0.146 1
1 196 . 5 1 1 A 21 21 ILE C C 21 173.612 174.432 -0.820 1
1 197 . 5 1 1 A 22 22 GLU N N 22 124.546 127.693 -3.147 1
1 198 . 5 1 1 A 22 22 GLU H H 22 8.273 8.814 -0.541 1
1 199 . 5 1 1 A 22 22 GLU CA C 22 54.652 55.310 -0.658 1
1 200 . 5 1 1 A 22 22 GLU HA H 22 4.429 4.649 -0.220 1
1 201 . 5 1 1 A 22 22 GLU CB C 22 29.876 30.893 -1.017 1
1 207 . 5 1 1 A 22 22 GLU C C 22 174.548 175.137 -0.589 1
1 208 . 5 1 1 A 23 23 ASP N N 23 128.325 126.004 2.321 1
1 209 . 5 1 1 A 23 23 ASP H H 23 8.368 8.788 -0.420 1
1 210 . 5 1 1 A 23 23 ASP CA C 23 51.555 50.491 1.064 1
1 211 . 5 1 1 A 23 23 ASP HA H 23 5.093 5.186 -0.093 1
1 212 . 5 1 1 A 23 23 ASP CB C 23 45.902 42.526 3.376 1
1 215 . 5 1 1 A 23 23 ASP C C 23 175.729 176.169 -0.440 1
1 216 . 5 1 1 A 24 24 PRO CA C 24 64.824 64.937 -0.113 1
1 217 . 5 1 1 A 24 24 PRO HA H 24 4.356 4.445 -0.089 1
1 218 . 5 1 1 A 24 24 PRO CB C 24 32.297 32.171 0.126 1
1 227 . 5 1 1 A 24 24 PRO C C 24 176.540 177.909 -1.369 1
1 228 . 5 1 1 A 25 25 VAL N N 25 118.640 115.949 2.691 1
1 229 . 5 1 1 A 25 25 VAL H H 25 8.485 7.808 0.677 1
1 230 . 5 1 1 A 25 25 VAL CA C 25 64.125 64.140 -0.015 1
1 231 . 5 1 1 A 25 25 VAL HA H 25 3.856 3.944 -0.088 1
1 232 . 5 1 1 A 25 25 VAL CB C 25 33.098 32.484 0.614 1
1 242 . 5 1 1 A 25 25 VAL C C 25 177.626 177.418 0.208 1
1 243 . 5 1 1 A 26 26 TYR N N 26 117.602 117.151 0.451 1
1 244 . 5 1 1 A 26 26 TYR H H 26 8.632 8.312 0.320 1
1 245 . 5 1 1 A 26 26 TYR CA C 26 59.189 59.401 -0.212 1
1 246 . 5 1 1 A 26 26 TYR HA H 26 4.469 4.509 -0.040 1
1 247 . 5 1 1 A 26 26 TYR CB C 26 39.193 38.881 0.312 1
1 258 . 5 1 1 A 26 26 TYR C C 26 176.124 176.553 -0.429 1
1 259 . 5 1 1 A 27 27 GLY N N 27 110.042 106.638 3.404 1
1 260 . 5 1 1 A 27 27 GLY H H 27 8.181 7.943 0.238 1
1 261 . 5 1 1 A 27 27 GLY CA C 27 44.979 44.713 0.266 1
1 262 . 5 1 1 A 27 27 GLY HA2 H 27 3.890 4.115 -0.225 1
1 263 . 5 1 1 A 27 27 GLY HA3 H 27 4.390 4.133 0.257 1
1 264 . 5 1 1 A 27 27 GLY C C 27 173.043 173.275 -0.232 1
1 265 . 5 1 1 A 28 28 ILE N N 28 121.278 121.250 0.028 1
1 266 . 5 1 1 A 28 28 ILE H H 28 8.259 8.185 0.074 1
1 267 . 5 1 1 A 28 28 ILE CA C 28 60.867 60.873 -0.006 1
1 268 . 5 1 1 A 28 28 ILE HA H 28 4.900 4.761 0.139 1
1 269 . 5 1 1 A 28 28 ILE CB C 28 38.763 38.319 0.444 1
1 282 . 5 1 1 A 28 28 ILE C C 28 176.805 174.971 1.834 1
1 283 . 5 1 1 A 29 29 TYR N N 29 124.534 123.860 0.674 1
1 284 . 5 1 1 A 29 29 TYR H H 29 8.822 8.582 0.240 1
1 285 . 5 1 1 A 29 29 TYR CA C 29 56.332 55.322 1.010 1
1 286 . 5 1 1 A 29 29 TYR HA H 29 4.712 4.997 -0.285 1
1 287 . 5 1 1 A 29 29 TYR CB C 29 38.879 41.672 -2.793 1
1 298 . 5 1 1 A 29 29 TYR C C 29 170.710 172.077 -1.367 1
1 299 . 5 1 1 A 30 30 TYR N N 30 116.432 120.342 -3.910 1
1 300 . 5 1 1 A 30 30 TYR H H 30 8.981 8.367 0.614 1
1 301 . 5 1 1 A 30 30 TYR CA C 30 56.921 57.329 -0.408 1
1 302 . 5 1 1 A 30 30 TYR HA H 30 5.417 5.749 -0.332 1
1 303 . 5 1 1 A 30 30 TYR CB C 30 41.603 40.411 1.192 1
1 314 . 5 1 1 A 30 30 TYR C C 30 174.825 175.013 -0.188 1
1 315 . 5 1 1 A 31 31 VAL N N 31 121.385 123.336 -1.951 1
1 316 . 5 1 1 A 31 31 VAL H H 31 9.266 9.142 0.124 1
1 317 . 5 1 1 A 31 31 VAL CA C 31 60.346 59.704 0.642 1
1 318 . 5 1 1 A 31 31 VAL HA H 31 4.610 5.102 -0.492 1
1 319 . 5 1 1 A 31 31 VAL CB C 31 35.393 34.215 1.178 1
1 329 . 5 1 1 A 31 31 VAL C C 31 173.103 173.002 0.101 1
1 330 . 5 1 1 A 32 32 ASP N N 32 126.129 128.861 -2.732 1
1 331 . 5 1 1 A 32 32 ASP H H 32 8.340 8.776 -0.436 1
1 332 . 5 1 1 A 32 32 ASP CA C 32 51.134 52.161 -1.027 1
1 333 . 5 1 1 A 32 32 ASP HA H 32 3.702 4.824 -1.122 1
1 334 . 5 1 1 A 32 32 ASP CB C 32 39.252 41.834 -2.582 1
1 337 . 5 1 1 A 32 32 ASP C C 32 177.731 176.857 0.874 1
1 338 . 5 1 1 A 33 33 HIS N N 33 121.984 123.860 -1.876 1
1 339 . 5 1 1 A 33 33 HIS H H 33 8.728 8.485 0.243 1
1 340 . 5 1 1 A 33 33 HIS CA C 33 58.404 55.976 2.428 1
1 341 . 5 1 1 A 33 33 HIS HA H 33 4.218 4.632 -0.414 1
1 342 . 5 1 1 A 33 33 HIS CB C 33 30.594 29.218 1.376 1
1 349 . 5 1 1 A 33 33 HIS C C 33 176.844 175.852 0.992 1
1 350 . 5 1 1 A 34 34 ILE N N 34 120.023 117.429 2.594 1
1 351 . 5 1 1 A 34 34 ILE H H 34 8.090 7.331 0.759 1
1 352 . 5 1 1 A 34 34 ILE CA C 34 63.382 62.204 1.178 1
1 353 . 5 1 1 A 34 34 ILE HA H 34 3.845 4.076 -0.231 1
1 354 . 5 1 1 A 34 34 ILE CB C 34 37.023 40.031 -3.008 1
1 367 . 5 1 1 A 34 34 ILE C C 34 177.464 177.238 0.226 1
1 368 . 5 1 1 A 35 35 ASN N N 35 115.543 117.403 -1.860 1
1 369 . 5 1 1 A 35 35 ASN H H 35 7.620 7.624 -0.004 1
1 370 . 5 1 1 A 35 35 ASN CA C 35 53.139 52.359 0.780 1
1 371 . 5 1 1 A 35 35 ASN HA H 35 4.587 4.822 -0.235 1
1 372 . 5 1 1 A 35 35 ASN CB C 35 38.909 39.281 -0.372 1
1 378 . 5 1 1 A 35 35 ASN C C 35 173.887 174.219 -0.332 1
1 379 . 5 1 1 A 36 36 ARG N N 36 117.698 116.600 1.098 1
1 380 . 5 1 1 A 36 36 ARG H H 36 7.596 7.490 0.106 1
1 381 . 5 1 1 A 36 36 ARG CA C 36 56.824 57.063 -0.239 1
1 382 . 5 1 1 A 36 36 ARG HA H 36 3.850 4.033 -0.183 1
1 383 . 5 1 1 A 36 36 ARG CB C 36 26.161 27.315 -1.154 1
1 390 . 5 1 1 A 36 36 ARG C C 36 174.732 174.488 0.244 1
1 391 . 5 1 1 A 37 37 LYS N N 37 117.773 117.270 0.503 1
1 392 . 5 1 1 A 37 37 LYS H H 37 7.471 7.353 0.118 1
1 393 . 5 1 1 A 37 37 LYS CA C 37 54.528 54.727 -0.199 1
1 394 . 5 1 1 A 37 37 LYS HA H 37 4.795 4.904 -0.109 1
1 395 . 5 1 1 A 37 37 LYS CB C 37 36.493 35.395 1.098 1
1 404 . 5 1 1 A 37 37 LYS C C 37 174.870 175.719 -0.849 1
1 405 . 5 1 1 A 38 38 THR N N 38 114.635 114.322 0.313 1
1 406 . 5 1 1 A 38 38 THR H H 38 8.322 8.761 -0.439 1
1 407 . 5 1 1 A 38 38 THR CA C 38 60.506 60.531 -0.025 1
1 408 . 5 1 1 A 38 38 THR HA H 38 5.390 5.489 -0.099 1
1 409 . 5 1 1 A 38 38 THR CB C 38 71.424 71.024 0.400 1
1 415 . 5 1 1 A 38 38 THR C C 38 173.840 173.643 0.197 1
1 416 . 5 1 1 A 39 39 GLN N N 39 117.672 123.990 -6.318 1
1 417 . 5 1 1 A 39 39 GLN H H 39 9.335 8.943 0.392 1
1 418 . 5 1 1 A 39 39 GLN CA C 39 54.878 54.134 0.744 1
1 419 . 5 1 1 A 39 39 GLN HA H 39 4.899 5.173 -0.274 1
1 420 . 5 1 1 A 39 39 GLN CB C 39 32.186 31.796 0.390 1
1 429 . 5 1 1 A 39 39 GLN C C 39 174.549 175.585 -1.036 1
1 430 . 5 1 1 A 40 40 TYR N N 40 119.391 120.250 -0.859 1
1 431 . 5 1 1 A 40 40 TYR H H 40 8.858 9.130 -0.272 1
1 432 . 5 1 1 A 40 40 TYR CA C 40 60.804 60.295 0.509 1
1 433 . 5 1 1 A 40 40 TYR HA H 40 4.752 4.490 0.262 1
1 434 . 5 1 1 A 40 40 TYR CB C 40 39.167 39.339 -0.172 1
1 445 . 5 1 1 A 40 40 TYR C C 40 176.295 176.707 -0.412 1
1 446 . 5 1 1 A 41 41 GLU N N 41 119.491 118.183 1.308 1
1 447 . 5 1 1 A 41 41 GLU H H 41 8.079 7.991 0.088 1
1 448 . 5 1 1 A 41 41 GLU CA C 41 56.296 57.242 -0.946 1
1 449 . 5 1 1 A 41 41 GLU HA H 41 4.351 4.256 0.095 1
1 450 . 5 1 1 A 41 41 GLU CB C 41 30.517 30.097 0.420 1
1 456 . 5 1 1 A 41 41 GLU C C 41 175.460 176.470 -1.010 1
1 457 . 5 1 1 A 42 42 ASN N N 42 125.050 125.012 0.038 1
1 458 . 5 1 1 A 42 42 ASN H H 42 8.720 8.820 -0.100 1
1 459 . 5 1 1 A 42 42 ASN CA C 42 51.186 51.187 -0.001 1
1 460 . 5 1 1 A 42 42 ASN HA H 42 2.979 4.844 -1.865 1
1 461 . 5 1 1 A 42 42 ASN CB C 42 38.637 39.220 -0.583 1
1 467 . 5 1 1 A 42 42 ASN C C 42 174.950 175.502 -0.552 1
1 468 . 5 1 1 A 43 43 PRO CA C 43 63.681 65.218 -1.537 1
1 469 . 5 1 1 A 43 43 PRO HA H 43 3.869 4.159 -0.290 1
1 470 . 5 1 1 A 43 43 PRO CB C 43 31.408 31.062 0.346 1
1 479 . 5 1 1 A 43 43 PRO C C 43 178.273 178.614 -0.341 1
1 480 . 5 1 1 A 44 44 VAL N N 44 119.901 115.322 4.579 1
1 481 . 5 1 1 A 44 44 VAL H H 44 7.968 7.267 0.701 1
1 482 . 5 1 1 A 44 44 VAL CA C 44 64.744 65.742 -0.998 1
1 483 . 5 1 1 A 44 44 VAL HA H 44 3.646 3.528 0.118 1
1 484 . 5 1 1 A 44 44 VAL CB C 44 31.581 31.391 0.190 1
1 494 . 5 1 1 A 44 44 VAL C C 44 177.625 178.107 -0.482 1
1 495 . 5 1 1 A 45 45 LEU N N 45 120.711 119.684 1.027 1
1 496 . 5 1 1 A 45 45 LEU H H 45 7.076 7.965 -0.889 1
1 497 . 5 1 1 A 45 45 LEU CA C 45 56.822 58.380 -1.558 1
1 498 . 5 1 1 A 45 45 LEU HA H 45 3.994 3.853 0.141 1
1 499 . 5 1 1 A 45 45 LEU CB C 45 41.194 41.301 -0.107 1
1 512 . 5 1 1 A 45 45 LEU C C 45 179.099 178.793 0.306 1
1 513 . 5 1 1 A 46 46 GLU N N 46 120.581 119.586 0.995 1
1 514 . 5 1 1 A 46 46 GLU H H 46 8.001 7.846 0.155 1
1 515 . 5 1 1 A 46 46 GLU CA C 46 58.462 59.417 -0.955 1
1 516 . 5 1 1 A 46 46 GLU HA H 46 3.961 3.982 -0.021 1
1 517 . 5 1 1 A 46 46 GLU CB C 46 29.956 29.243 0.713 1
1 523 . 5 1 1 A 46 46 GLU C C 46 177.685 178.385 -0.700 1
1 524 . 5 1 1 A 47 47 ALA N N 47 121.265 121.031 0.234 1
1 525 . 5 1 1 A 47 47 ALA H H 47 7.625 8.003 -0.378 1
1 526 . 5 1 1 A 47 47 ALA CA C 47 54.438 54.984 -0.546 1
1 527 . 5 1 1 A 47 47 ALA HA H 47 4.082 4.108 -0.026 1
1 528 . 5 1 1 A 47 47 ALA CB C 47 18.192 18.464 -0.272 1
1 532 . 5 1 1 A 47 47 ALA C C 47 179.879 179.660 0.219 1
1 533 . 5 1 1 A 48 48 LYS N N 48 118.414 116.556 1.858 1
1 534 . 5 1 1 A 48 48 LYS H H 48 7.776 8.107 -0.331 1
1 535 . 5 1 1 A 48 48 LYS CA C 48 58.491 58.803 -0.312 1
1 536 . 5 1 1 A 48 48 LYS HA H 48 4.063 4.099 -0.036 1
1 537 . 5 1 1 A 48 48 LYS CB C 48 32.565 31.294 1.271 1
1 547 . 5 1 1 A 48 48 LYS C C 48 178.235 178.450 -0.215 1
1 548 . 5 1 1 A 49 49 ARG N N 49 120.324 119.913 0.411 1
1 549 . 5 1 1 A 49 49 ARG H H 49 7.968 8.179 -0.211 1
1 550 . 5 1 1 A 49 49 ARG CA C 49 58.156 58.484 -0.328 1
1 551 . 5 1 1 A 49 49 ARG HA H 49 4.140 4.141 -0.001 1
1 552 . 5 1 1 A 49 49 ARG CB C 49 30.349 30.369 -0.020 1
1 561 . 5 1 1 A 49 49 ARG C C 49 177.985 177.988 -0.003 1
1 562 . 5 1 1 A 50 50 LYS N N 50 120.001 117.422 2.579 1
1 563 . 5 1 1 A 50 50 LYS H H 50 8.051 8.265 -0.214 1
1 564 . 5 1 1 A 50 50 LYS CA C 50 58.185 58.215 -0.030 1
1 565 . 5 1 1 A 50 50 LYS HA H 50 4.099 4.183 -0.084 1
1 566 . 5 1 1 A 50 50 LYS CB C 50 32.645 32.799 -0.154 1
1 575 . 5 1 1 A 50 50 LYS C C 50 177.791 178.326 -0.535 1
1 576 . 5 1 1 A 51 51 LYS N N 51 120.458 119.690 0.768 1
1 577 . 5 1 1 A 51 51 LYS H H 51 7.915 7.931 -0.016 1
1 578 . 5 1 1 A 51 51 LYS CA C 51 57.452 58.386 -0.934 1
1 579 . 5 1 1 A 51 51 LYS HA H 51 4.189 4.258 -0.069 1
1 580 . 5 1 1 A 51 51 LYS CB C 51 32.620 33.094 -0.474 1
1 590 . 5 1 1 A 51 51 LYS C C 51 177.670 178.728 -1.058 1
1 591 . 5 1 1 A 52 52 GLN N N 52 119.883 116.113 3.770 1
1 592 . 5 1 1 A 52 52 GLN H H 52 8.060 8.050 0.010 1
1 593 . 5 1 1 A 52 52 GLN CA C 52 56.866 58.056 -1.190 1
1 594 . 5 1 1 A 52 52 GLN HA H 52 4.213 4.107 0.106 1
1 595 . 5 1 1 A 52 52 GLN CB C 52 28.969 27.837 1.132 1
1 604 . 5 1 1 A 52 52 GLN C C 52 176.851 176.312 0.539 1
1 605 . 5 1 1 A 53 53 LEU N N 53 121.489 122.753 -1.264 1
1 606 . 5 1 1 A 53 53 LEU H H 53 8.027 7.517 0.510 1
1 607 . 5 1 1 A 53 53 LEU CA C 53 55.826 54.484 1.342 1
1 608 . 5 1 1 A 53 53 LEU HA H 53 4.288 4.319 -0.031 1
1 609 . 5 1 1 A 53 53 LEU CB C 53 42.379 40.847 1.532 1
1 622 . 5 1 1 A 53 53 LEU C C 53 177.973 175.727 2.246 1
1 623 . 5 1 1 A 54 54 GLU N N 54 120.395 125.071 -4.676 1
1 624 . 5 1 1 A 54 54 GLU H H 54 8.141 8.513 -0.372 1
1 625 . 5 1 1 A 54 54 GLU CA C 54 56.906 57.340 -0.434 1
1 626 . 5 1 1 A 54 54 GLU HA H 54 4.291 4.289 0.002 1
1 627 . 5 1 1 A 54 54 GLU CB C 54 30.228 30.513 -0.285 1
1 633 . 5 1 1 A 54 54 GLU C C 54 176.762 175.565 1.197 1
1 634 . 5 1 1 A 55 55 SER N N 55 115.834 117.399 -1.565 1
1 635 . 5 1 1 A 55 55 SER H H 55 8.178 8.663 -0.485 1
1 636 . 5 1 1 A 55 55 SER CA C 55 58.606 57.114 1.492 1
1 637 . 5 1 1 A 55 55 SER HA H 55 4.492 4.912 -0.420 1
1 638 . 5 1 1 A 55 55 SER CB C 55 63.869 66.152 -2.283 1
1 641 . 5 1 1 A 55 55 SER C C 55 174.614 174.278 0.336 1
1 642 . 5 1 1 A 56 56 GLY N N 56 110.601 116.669 -6.068 1
1 643 . 5 1 1 A 56 56 GLY H H 56 8.163 8.773 -0.610 1
1 644 . 5 1 1 A 56 56 GLY CA C 56 44.731 44.771 -0.040 1
1 645 . 5 1 1 A 56 56 GLY HA2 H 56 4.098 4.130 -0.032 1
1 646 . 5 1 1 A 56 56 GLY HA3 H 56 4.167 4.130 0.037 1
1 647 . 5 1 1 A 56 56 GLY C C 56 171.805 174.309 -2.504 1
1 648 . 5 1 1 A 57 57 PRO CA C 57 63.271 64.251 -0.980 1
1 649 . 5 1 1 A 57 57 PRO HA H 57 4.475 4.433 0.042 1
1 650 . 5 1 1 A 57 57 PRO CB C 57 32.133 31.980 0.153 1
1 659 . 5 1 1 A 57 57 PRO C C 57 177.422 176.078 1.344 1
1 660 . 5 1 1 A 58 58 SER N N 58 116.422 111.287 5.135 1
1 661 . 5 1 1 A 58 58 SER H H 58 8.524 7.910 0.614 1
1 662 . 5 1 1 A 58 58 SER CA C 58 58.457 57.065 1.392 1
1 663 . 5 1 1 A 58 58 SER HA H 58 4.494 4.627 -0.133 1
1 664 . 5 1 1 A 58 58 SER CB C 58 63.945 65.505 -1.560 1
1 667 . 5 1 1 A 58 58 SER C C 58 174.720 173.769 0.951 1
1 668 . 5 1 1 A 59 59 SER N N 59 117.951 114.449 3.502 1
1 669 . 5 1 1 A 59 59 SER H H 59 8.342 8.652 -0.310 1
1 670 . 5 1 1 A 59 59 SER CA C 59 58.327 57.519 0.808 1
1 671 . 5 1 1 A 59 59 SER HA H 59 4.491 4.951 -0.460 1
1 672 . 5 1 1 A 59 59 SER CB C 59 63.965 65.482 -1.517 1
1 675 . 5 1 1 A 59 59 SER C C 59 173.967 173.895 0.072 1
1 1 . 6 1 1 A 5 5 SER N N 5 115.829 116.976 -1.147 1
1 2 . 6 1 1 A 5 5 SER CA C 5 58.317 58.244 0.073 1
1 3 . 6 1 1 A 5 5 SER CB C 5 63.703 63.967 -0.264 1
1 4 . 6 1 1 A 5 5 SER C C 5 174.849 174.416 0.433 1
1 5 . 6 1 1 A 6 6 SER N N 6 117.994 120.637 -2.643 1
1 6 . 6 1 1 A 6 6 SER CA C 6 58.677 59.217 -0.540 1
1 7 . 6 1 1 A 6 6 SER HA H 6 4.501 4.731 -0.230 1
1 8 . 6 1 1 A 6 6 SER CB C 6 63.732 62.716 1.016 1
1 10 . 6 1 1 A 6 6 SER C C 6 175.043 174.715 0.328 1
1 11 . 6 1 1 A 7 7 GLY N N 7 110.716 111.786 -1.070 1
1 12 . 6 1 1 A 7 7 GLY H H 7 8.429 8.450 -0.021 1
1 13 . 6 1 1 A 7 7 GLY CA C 7 45.403 44.644 0.759 1
1 14 . 6 1 1 A 7 7 GLY HA2 H 7 3.976 4.101 -0.125 1
1 15 . 6 1 1 A 7 7 GLY HA3 H 7 3.976 4.101 -0.125 1
1 16 . 6 1 1 A 7 7 GLY C C 7 174.231 171.936 2.295 1
1 17 . 6 1 1 A 8 8 LEU N N 8 121.547 116.638 4.909 1
1 18 . 6 1 1 A 8 8 LEU H H 8 8.132 8.553 -0.421 1
1 19 . 6 1 1 A 8 8 LEU CA C 8 55.233 52.176 3.057 1
1 20 . 6 1 1 A 8 8 LEU HA H 8 4.356 5.184 -0.828 1
1 21 . 6 1 1 A 8 8 LEU CB C 8 42.416 46.078 -3.662 1
1 31 . 6 1 1 A 8 8 LEU C C 8 177.479 174.867 2.612 1
1 32 . 6 1 1 A 9 9 ASP N N 9 120.983 119.082 1.901 1
1 33 . 6 1 1 A 9 9 ASP H H 9 8.413 8.500 -0.087 1
1 34 . 6 1 1 A 9 9 ASP CA C 9 54.826 52.655 2.171 1
1 35 . 6 1 1 A 9 9 ASP HA H 9 4.555 5.535 -0.980 1
1 36 . 6 1 1 A 9 9 ASP CB C 9 40.967 45.526 -4.559 1
1 39 . 6 1 1 A 9 9 ASP C C 9 176.609 174.787 1.822 1
1 40 . 6 1 1 A 10 10 SER N N 10 115.538 112.210 3.328 1
1 41 . 6 1 1 A 10 10 SER H H 10 8.146 8.595 -0.449 1
1 42 . 6 1 1 A 10 10 SER CA C 10 58.926 57.206 1.720 1
1 43 . 6 1 1 A 10 10 SER HA H 10 4.361 4.866 -0.505 1
1 44 . 6 1 1 A 10 10 SER CB C 10 63.924 65.836 -1.912 1
1 47 . 6 1 1 A 10 10 SER C C 10 174.922 174.856 0.066 1
1 48 . 6 1 1 A 11 11 GLU N N 11 122.324 120.420 1.904 1
1 49 . 6 1 1 A 11 11 GLU H H 11 8.416 9.145 -0.729 1
1 50 . 6 1 1 A 11 11 GLU CA C 11 56.763 58.993 -2.230 1
1 51 . 6 1 1 A 11 11 GLU HA H 11 4.262 3.629 0.633 1
1 52 . 6 1 1 A 11 11 GLU CB C 11 29.860 29.246 0.614 1
1 58 . 6 1 1 A 11 11 GLU C C 11 176.347 176.752 -0.405 1
1 59 . 6 1 1 A 12 12 LEU N N 12 121.580 116.984 4.596 1
1 60 . 6 1 1 A 12 12 LEU H H 12 7.957 7.971 -0.014 1
1 61 . 6 1 1 A 12 12 LEU CA C 12 54.921 56.304 -1.383 1
1 62 . 6 1 1 A 12 12 LEU HA H 12 4.311 3.869 0.442 1
1 63 . 6 1 1 A 12 12 LEU CB C 12 42.313 40.548 1.765 1
1 76 . 6 1 1 A 12 12 LEU C C 12 176.945 175.979 0.966 1
1 77 . 6 1 1 A 13 13 GLU N N 13 122.146 110.007 12.139 1
1 78 . 6 1 1 A 13 13 GLU H H 13 8.088 8.445 -0.357 1
1 79 . 6 1 1 A 13 13 GLU CA C 13 56.222 57.134 -0.912 1
1 80 . 6 1 1 A 13 13 GLU HA H 13 4.236 3.826 0.410 1
1 81 . 6 1 1 A 13 13 GLU CB C 13 30.332 27.375 2.957 1
1 86 . 6 1 1 A 13 13 GLU C C 13 175.667 175.828 -0.161 1
1 87 . 6 1 1 A 14 14 LEU N N 14 123.302 120.274 3.028 1
1 88 . 6 1 1 A 14 14 LEU H H 14 8.331 7.775 0.556 1
1 89 . 6 1 1 A 14 14 LEU CA C 14 52.689 53.731 -1.042 1
1 90 . 6 1 1 A 14 14 LEU HA H 14 4.376 4.059 0.317 1
1 91 . 6 1 1 A 14 14 LEU CB C 14 41.859 41.368 0.491 1
1 104 . 6 1 1 A 14 14 LEU C C 14 174.694 177.331 -2.637 1
1 105 . 6 1 1 A 15 15 PRO CA C 15 61.808 65.888 -4.080 1
1 106 . 6 1 1 A 15 15 PRO HA H 15 4.509 4.410 0.099 1
1 107 . 6 1 1 A 15 15 PRO CB C 15 31.501 31.530 -0.029 1
1 116 . 6 1 1 A 15 15 PRO C C 15 175.733 176.492 -0.759 1
1 117 . 6 1 1 A 16 16 ALA N N 16 123.226 117.039 6.187 1
1 118 . 6 1 1 A 16 16 ALA H H 16 8.427 8.056 0.371 1
1 119 . 6 1 1 A 16 16 ALA CA C 16 53.836 51.463 2.373 1
1 120 . 6 1 1 A 16 16 ALA HA H 16 4.235 4.764 -0.529 1
1 121 . 6 1 1 A 16 16 ALA CB C 16 18.391 22.754 -4.363 1
1 125 . 6 1 1 A 16 16 ALA C C 16 178.641 177.061 1.580 1
1 126 . 6 1 1 A 17 17 GLY N N 17 110.263 109.881 0.382 1
1 127 . 6 1 1 A 17 17 GLY H H 17 8.816 8.697 0.119 1
1 128 . 6 1 1 A 17 17 GLY CA C 17 45.465 45.926 -0.461 1
1 129 . 6 1 1 A 17 17 GLY HA2 H 17 3.759 3.726 0.033 1
1 130 . 6 1 1 A 17 17 GLY HA3 H 17 4.261 3.793 0.468 1
1 131 . 6 1 1 A 17 17 GLY C C 17 173.251 173.535 -0.284 1
1 132 . 6 1 1 A 18 18 TRP N N 18 118.263 119.181 -0.918 1
1 133 . 6 1 1 A 18 18 TRP H H 18 7.782 7.843 -0.061 1
1 134 . 6 1 1 A 18 18 TRP CA C 18 56.679 56.024 0.655 1
1 135 . 6 1 1 A 18 18 TRP HA H 18 5.840 5.160 0.680 1
1 136 . 6 1 1 A 18 18 TRP CB C 18 32.215 32.638 -0.423 1
1 151 . 6 1 1 A 18 18 TRP C C 18 177.038 174.779 2.259 1
1 152 . 6 1 1 A 19 19 GLU N N 19 122.023 123.937 -1.914 1
1 153 . 6 1 1 A 19 19 GLU H H 19 9.480 8.988 0.492 1
1 154 . 6 1 1 A 19 19 GLU CA C 19 55.126 55.011 0.115 1
1 155 . 6 1 1 A 19 19 GLU HA H 19 4.679 5.026 -0.347 1
1 156 . 6 1 1 A 19 19 GLU CB C 19 34.865 33.079 1.786 1
1 162 . 6 1 1 A 19 19 GLU C C 19 173.752 175.112 -1.360 1
1 163 . 6 1 1 A 20 20 LYS N N 20 127.008 128.315 -1.307 1
1 164 . 6 1 1 A 20 20 LYS H H 20 8.848 8.625 0.223 1
1 165 . 6 1 1 A 20 20 LYS CA C 20 55.531 56.644 -1.113 1
1 166 . 6 1 1 A 20 20 LYS HA H 20 4.379 4.771 -0.392 1
1 167 . 6 1 1 A 20 20 LYS CB C 20 33.946 32.844 1.102 1
1 178 . 6 1 1 A 20 20 LYS C C 20 174.530 175.051 -0.521 1
1 179 . 6 1 1 A 21 21 ILE N N 21 130.740 129.928 0.812 1
1 180 . 6 1 1 A 21 21 ILE H H 21 8.894 9.129 -0.235 1
1 181 . 6 1 1 A 21 21 ILE CA C 21 58.996 60.050 -1.054 1
1 182 . 6 1 1 A 21 21 ILE HA H 21 4.035 4.422 -0.387 1
1 183 . 6 1 1 A 21 21 ILE CB C 21 38.249 39.568 -1.319 1
1 196 . 6 1 1 A 21 21 ILE C C 21 173.612 174.517 -0.905 1
1 197 . 6 1 1 A 22 22 GLU N N 22 124.546 127.697 -3.151 1
1 198 . 6 1 1 A 22 22 GLU H H 22 8.273 8.832 -0.559 1
1 199 . 6 1 1 A 22 22 GLU CA C 22 54.652 55.369 -0.717 1
1 200 . 6 1 1 A 22 22 GLU HA H 22 4.429 4.765 -0.336 1
1 201 . 6 1 1 A 22 22 GLU CB C 22 29.876 30.939 -1.063 1
1 207 . 6 1 1 A 22 22 GLU C C 22 174.548 175.269 -0.721 1
1 208 . 6 1 1 A 23 23 ASP N N 23 128.325 126.077 2.248 1
1 209 . 6 1 1 A 23 23 ASP H H 23 8.368 8.876 -0.508 1
1 210 . 6 1 1 A 23 23 ASP CA C 23 51.555 50.535 1.020 1
1 211 . 6 1 1 A 23 23 ASP HA H 23 5.093 5.223 -0.130 1
1 212 . 6 1 1 A 23 23 ASP CB C 23 45.902 42.568 3.334 1
1 215 . 6 1 1 A 23 23 ASP C C 23 175.729 176.165 -0.436 1
1 216 . 6 1 1 A 24 24 PRO CA C 24 64.824 64.862 -0.038 1
1 217 . 6 1 1 A 24 24 PRO HA H 24 4.356 4.470 -0.114 1
1 218 . 6 1 1 A 24 24 PRO CB C 24 32.297 32.268 0.029 1
1 227 . 6 1 1 A 24 24 PRO C C 24 176.540 177.480 -0.940 1
1 228 . 6 1 1 A 25 25 VAL N N 25 118.640 116.204 2.436 1
1 229 . 6 1 1 A 25 25 VAL H H 25 8.485 7.821 0.664 1
1 230 . 6 1 1 A 25 25 VAL CA C 25 64.125 64.106 0.019 1
1 231 . 6 1 1 A 25 25 VAL HA H 25 3.856 3.939 -0.083 1
1 232 . 6 1 1 A 25 25 VAL CB C 25 33.098 32.545 0.553 1
1 242 . 6 1 1 A 25 25 VAL C C 25 177.626 177.305 0.321 1
1 243 . 6 1 1 A 26 26 TYR N N 26 117.602 117.146 0.456 1
1 244 . 6 1 1 A 26 26 TYR H H 26 8.632 8.349 0.283 1
1 245 . 6 1 1 A 26 26 TYR CA C 26 59.189 59.688 -0.499 1
1 246 . 6 1 1 A 26 26 TYR HA H 26 4.469 4.480 -0.011 1
1 247 . 6 1 1 A 26 26 TYR CB C 26 39.193 38.812 0.381 1
1 258 . 6 1 1 A 26 26 TYR C C 26 176.124 176.653 -0.529 1
1 259 . 6 1 1 A 27 27 GLY N N 27 110.042 106.728 3.314 1
1 260 . 6 1 1 A 27 27 GLY H H 27 8.181 7.943 0.238 1
1 261 . 6 1 1 A 27 27 GLY CA C 27 44.979 44.666 0.313 1
1 262 . 6 1 1 A 27 27 GLY HA2 H 27 3.890 4.161 -0.271 1
1 263 . 6 1 1 A 27 27 GLY HA3 H 27 4.390 4.205 0.185 1
1 264 . 6 1 1 A 27 27 GLY C C 27 173.043 173.511 -0.468 1
1 265 . 6 1 1 A 28 28 ILE N N 28 121.278 121.462 -0.184 1
1 266 . 6 1 1 A 28 28 ILE H H 28 8.259 8.370 -0.111 1
1 267 . 6 1 1 A 28 28 ILE CA C 28 60.867 61.165 -0.298 1
1 268 . 6 1 1 A 28 28 ILE HA H 28 4.900 4.960 -0.060 1
1 269 . 6 1 1 A 28 28 ILE CB C 28 38.763 38.171 0.592 1
1 282 . 6 1 1 A 28 28 ILE C C 28 176.805 175.196 1.609 1
1 283 . 6 1 1 A 29 29 TYR N N 29 124.534 123.989 0.545 1
1 284 . 6 1 1 A 29 29 TYR H H 29 8.822 8.817 0.005 1
1 285 . 6 1 1 A 29 29 TYR CA C 29 56.332 55.501 0.831 1
1 286 . 6 1 1 A 29 29 TYR HA H 29 4.712 5.173 -0.461 1
1 287 . 6 1 1 A 29 29 TYR CB C 29 38.879 41.773 -2.894 1
1 298 . 6 1 1 A 29 29 TYR C C 29 170.710 172.164 -1.454 1
1 299 . 6 1 1 A 30 30 TYR N N 30 116.432 120.846 -4.414 1
1 300 . 6 1 1 A 30 30 TYR H H 30 8.981 8.937 0.044 1
1 301 . 6 1 1 A 30 30 TYR CA C 30 56.921 57.630 -0.709 1
1 302 . 6 1 1 A 30 30 TYR HA H 30 5.417 5.598 -0.181 1
1 303 . 6 1 1 A 30 30 TYR CB C 30 41.603 40.112 1.491 1
1 314 . 6 1 1 A 30 30 TYR C C 30 174.825 175.124 -0.299 1
1 315 . 6 1 1 A 31 31 VAL N N 31 121.385 123.515 -2.130 1
1 316 . 6 1 1 A 31 31 VAL H H 31 9.266 9.313 -0.047 1
1 317 . 6 1 1 A 31 31 VAL CA C 31 60.346 59.881 0.465 1
1 318 . 6 1 1 A 31 31 VAL HA H 31 4.610 5.051 -0.441 1
1 319 . 6 1 1 A 31 31 VAL CB C 31 35.393 34.654 0.739 1
1 329 . 6 1 1 A 31 31 VAL C C 31 173.103 173.219 -0.116 1
1 330 . 6 1 1 A 32 32 ASP N N 32 126.129 128.251 -2.122 1
1 331 . 6 1 1 A 32 32 ASP H H 32 8.340 8.895 -0.555 1
1 332 . 6 1 1 A 32 32 ASP CA C 32 51.134 52.314 -1.180 1
1 333 . 6 1 1 A 32 32 ASP HA H 32 3.702 4.912 -1.210 1
1 334 . 6 1 1 A 32 32 ASP CB C 32 39.252 41.303 -2.051 1
1 337 . 6 1 1 A 32 32 ASP C C 32 177.731 177.123 0.608 1
1 338 . 6 1 1 A 33 33 HIS N N 33 121.984 123.015 -1.031 1
1 339 . 6 1 1 A 33 33 HIS H H 33 8.728 8.636 0.092 1
1 340 . 6 1 1 A 33 33 HIS CA C 33 58.404 56.981 1.423 1
1 341 . 6 1 1 A 33 33 HIS HA H 33 4.218 4.559 -0.341 1
1 342 . 6 1 1 A 33 33 HIS CB C 33 30.594 29.076 1.518 1
1 349 . 6 1 1 A 33 33 HIS C C 33 176.844 175.569 1.275 1
1 350 . 6 1 1 A 34 34 ILE N N 34 120.023 117.303 2.720 1
1 351 . 6 1 1 A 34 34 ILE H H 34 8.090 7.767 0.323 1
1 352 . 6 1 1 A 34 34 ILE CA C 34 63.382 62.479 0.903 1
1 353 . 6 1 1 A 34 34 ILE HA H 34 3.845 4.083 -0.238 1
1 354 . 6 1 1 A 34 34 ILE CB C 34 37.023 40.159 -3.136 1
1 367 . 6 1 1 A 34 34 ILE C C 34 177.464 177.123 0.341 1
1 368 . 6 1 1 A 35 35 ASN N N 35 115.543 117.197 -1.654 1
1 369 . 6 1 1 A 35 35 ASN H H 35 7.620 7.816 -0.196 1
1 370 . 6 1 1 A 35 35 ASN CA C 35 53.139 52.767 0.372 1
1 371 . 6 1 1 A 35 35 ASN HA H 35 4.587 4.755 -0.168 1
1 372 . 6 1 1 A 35 35 ASN CB C 35 38.909 38.803 0.106 1
1 378 . 6 1 1 A 35 35 ASN C C 35 173.887 174.522 -0.635 1
1 379 . 6 1 1 A 36 36 ARG N N 36 117.698 116.587 1.111 1
1 380 . 6 1 1 A 36 36 ARG H H 36 7.596 7.536 0.060 1
1 381 . 6 1 1 A 36 36 ARG CA C 36 56.824 57.080 -0.256 1
1 382 . 6 1 1 A 36 36 ARG HA H 36 3.850 3.883 -0.033 1
1 383 . 6 1 1 A 36 36 ARG CB C 36 26.161 27.133 -0.972 1
1 390 . 6 1 1 A 36 36 ARG C C 36 174.732 174.692 0.040 1
1 391 . 6 1 1 A 37 37 LYS N N 37 117.773 114.395 3.378 1
1 392 . 6 1 1 A 37 37 LYS H H 37 7.471 7.446 0.025 1
1 393 . 6 1 1 A 37 37 LYS CA C 37 54.528 54.701 -0.173 1
1 394 . 6 1 1 A 37 37 LYS HA H 37 4.795 4.965 -0.170 1
1 395 . 6 1 1 A 37 37 LYS CB C 37 36.493 36.347 0.146 1
1 404 . 6 1 1 A 37 37 LYS C C 37 174.870 174.531 0.339 1
1 405 . 6 1 1 A 38 38 THR N N 38 114.635 110.830 3.805 1
1 406 . 6 1 1 A 38 38 THR H H 38 8.322 8.560 -0.238 1
1 407 . 6 1 1 A 38 38 THR CA C 38 60.506 59.694 0.812 1
1 408 . 6 1 1 A 38 38 THR HA H 38 5.390 5.413 -0.023 1
1 409 . 6 1 1 A 38 38 THR CB C 38 71.424 72.537 -1.113 1
1 415 . 6 1 1 A 38 38 THR C C 38 173.840 172.997 0.843 1
1 416 . 6 1 1 A 39 39 GLN N N 39 117.672 118.732 -1.060 1
1 417 . 6 1 1 A 39 39 GLN H H 39 9.335 8.272 1.063 1
1 418 . 6 1 1 A 39 39 GLN CA C 39 54.878 54.388 0.490 1
1 419 . 6 1 1 A 39 39 GLN HA H 39 4.899 4.825 0.074 1
1 420 . 6 1 1 A 39 39 GLN CB C 39 32.186 31.534 0.652 1
1 429 . 6 1 1 A 39 39 GLN C C 39 174.549 174.387 0.162 1
1 430 . 6 1 1 A 40 40 TYR N N 40 119.391 118.277 1.114 1
1 431 . 6 1 1 A 40 40 TYR H H 40 8.858 8.582 0.276 1
1 432 . 6 1 1 A 40 40 TYR CA C 40 60.804 60.006 0.798 1
1 433 . 6 1 1 A 40 40 TYR HA H 40 4.752 4.656 0.096 1
1 434 . 6 1 1 A 40 40 TYR CB C 40 39.167 39.968 -0.801 1
1 445 . 6 1 1 A 40 40 TYR C C 40 176.295 176.486 -0.191 1
1 446 . 6 1 1 A 41 41 GLU N N 41 119.491 118.407 1.084 1
1 447 . 6 1 1 A 41 41 GLU H H 41 8.079 8.035 0.044 1
1 448 . 6 1 1 A 41 41 GLU CA C 41 56.296 57.246 -0.950 1
1 449 . 6 1 1 A 41 41 GLU HA H 41 4.351 4.279 0.072 1
1 450 . 6 1 1 A 41 41 GLU CB C 41 30.517 30.080 0.437 1
1 456 . 6 1 1 A 41 41 GLU C C 41 175.460 176.452 -0.992 1
1 457 . 6 1 1 A 42 42 ASN N N 42 125.050 125.364 -0.314 1
1 458 . 6 1 1 A 42 42 ASN H H 42 8.720 8.799 -0.079 1
1 459 . 6 1 1 A 42 42 ASN CA C 42 51.186 51.225 -0.039 1
1 460 . 6 1 1 A 42 42 ASN HA H 42 2.979 4.828 -1.849 1
1 461 . 6 1 1 A 42 42 ASN CB C 42 38.637 39.361 -0.724 1
1 467 . 6 1 1 A 42 42 ASN C C 42 174.950 175.615 -0.665 1
1 468 . 6 1 1 A 43 43 PRO CA C 43 63.681 65.210 -1.529 1
1 469 . 6 1 1 A 43 43 PRO HA H 43 3.869 4.161 -0.292 1
1 470 . 6 1 1 A 43 43 PRO CB C 43 31.408 31.069 0.339 1
1 479 . 6 1 1 A 43 43 PRO C C 43 178.273 178.626 -0.353 1
1 480 . 6 1 1 A 44 44 VAL N N 44 119.901 115.498 4.403 1
1 481 . 6 1 1 A 44 44 VAL H H 44 7.968 7.347 0.621 1
1 482 . 6 1 1 A 44 44 VAL CA C 44 64.744 65.671 -0.927 1
1 483 . 6 1 1 A 44 44 VAL HA H 44 3.646 3.543 0.103 1
1 484 . 6 1 1 A 44 44 VAL CB C 44 31.581 31.390 0.191 1
1 494 . 6 1 1 A 44 44 VAL C C 44 177.625 178.298 -0.673 1
1 495 . 6 1 1 A 45 45 LEU N N 45 120.711 119.492 1.219 1
1 496 . 6 1 1 A 45 45 LEU H H 45 7.076 7.963 -0.887 1
1 497 . 6 1 1 A 45 45 LEU CA C 45 56.822 58.083 -1.261 1
1 498 . 6 1 1 A 45 45 LEU HA H 45 3.994 3.876 0.118 1
1 499 . 6 1 1 A 45 45 LEU CB C 45 41.194 41.273 -0.079 1
1 512 . 6 1 1 A 45 45 LEU C C 45 179.099 178.979 0.120 1
1 513 . 6 1 1 A 46 46 GLU N N 46 120.581 119.715 0.866 1
1 514 . 6 1 1 A 46 46 GLU H H 46 8.001 7.929 0.072 1
1 515 . 6 1 1 A 46 46 GLU CA C 46 58.462 59.422 -0.960 1
1 516 . 6 1 1 A 46 46 GLU HA H 46 3.961 4.042 -0.081 1
1 517 . 6 1 1 A 46 46 GLU CB C 46 29.956 29.409 0.547 1
1 523 . 6 1 1 A 46 46 GLU C C 46 177.685 178.440 -0.755 1
1 524 . 6 1 1 A 47 47 ALA N N 47 121.265 121.058 0.207 1
1 525 . 6 1 1 A 47 47 ALA H H 47 7.625 8.117 -0.492 1
1 526 . 6 1 1 A 47 47 ALA CA C 47 54.438 55.063 -0.625 1
1 527 . 6 1 1 A 47 47 ALA HA H 47 4.082 4.119 -0.037 1
1 528 . 6 1 1 A 47 47 ALA CB C 47 18.192 18.495 -0.303 1
1 532 . 6 1 1 A 47 47 ALA C C 47 179.879 179.620 0.259 1
1 533 . 6 1 1 A 48 48 LYS N N 48 118.414 116.578 1.836 1
1 534 . 6 1 1 A 48 48 LYS H H 48 7.776 7.838 -0.062 1
1 535 . 6 1 1 A 48 48 LYS CA C 48 58.491 58.437 0.054 1
1 536 . 6 1 1 A 48 48 LYS HA H 48 4.063 4.108 -0.045 1
1 537 . 6 1 1 A 48 48 LYS CB C 48 32.565 31.394 1.171 1
1 547 . 6 1 1 A 48 48 LYS C C 48 178.235 178.426 -0.191 1
1 548 . 6 1 1 A 49 49 ARG N N 49 120.324 119.954 0.370 1
1 549 . 6 1 1 A 49 49 ARG H H 49 7.968 8.346 -0.378 1
1 550 . 6 1 1 A 49 49 ARG CA C 49 58.156 58.704 -0.548 1
1 551 . 6 1 1 A 49 49 ARG HA H 49 4.140 4.090 0.050 1
1 552 . 6 1 1 A 49 49 ARG CB C 49 30.349 30.026 0.323 1
1 561 . 6 1 1 A 49 49 ARG C C 49 177.985 178.111 -0.126 1
1 562 . 6 1 1 A 50 50 LYS N N 50 120.001 117.653 2.348 1
1 563 . 6 1 1 A 50 50 LYS H H 50 8.051 8.250 -0.199 1
1 564 . 6 1 1 A 50 50 LYS CA C 50 58.185 58.539 -0.354 1
1 565 . 6 1 1 A 50 50 LYS HA H 50 4.099 4.191 -0.092 1
1 566 . 6 1 1 A 50 50 LYS CB C 50 32.645 32.874 -0.229 1
1 575 . 6 1 1 A 50 50 LYS C C 50 177.791 178.965 -1.174 1
1 576 . 6 1 1 A 51 51 LYS N N 51 120.458 119.986 0.472 1
1 577 . 6 1 1 A 51 51 LYS H H 51 7.915 8.052 -0.137 1
1 578 . 6 1 1 A 51 51 LYS CA C 51 57.452 59.172 -1.720 1
1 579 . 6 1 1 A 51 51 LYS HA H 51 4.189 4.120 0.069 1
1 580 . 6 1 1 A 51 51 LYS CB C 51 32.620 32.201 0.419 1
1 590 . 6 1 1 A 51 51 LYS C C 51 177.670 179.218 -1.548 1
1 591 . 6 1 1 A 52 52 GLN N N 52 119.883 118.206 1.677 1
1 592 . 6 1 1 A 52 52 GLN H H 52 8.060 7.572 0.488 1
1 593 . 6 1 1 A 52 52 GLN CA C 52 56.866 58.398 -1.532 1
1 594 . 6 1 1 A 52 52 GLN HA H 52 4.213 4.086 0.127 1
1 595 . 6 1 1 A 52 52 GLN CB C 52 28.969 28.430 0.539 1
1 604 . 6 1 1 A 52 52 GLN C C 52 176.851 177.241 -0.390 1
1 605 . 6 1 1 A 53 53 LEU N N 53 121.489 121.830 -0.341 1
1 606 . 6 1 1 A 53 53 LEU H H 53 8.027 7.575 0.452 1
1 607 . 6 1 1 A 53 53 LEU CA C 53 55.826 55.264 0.562 1
1 608 . 6 1 1 A 53 53 LEU HA H 53 4.288 4.132 0.156 1
1 609 . 6 1 1 A 53 53 LEU CB C 53 42.379 41.836 0.543 1
1 622 . 6 1 1 A 53 53 LEU C C 53 177.973 176.521 1.452 1
1 623 . 6 1 1 A 54 54 GLU N N 54 120.395 125.519 -5.124 1
1 624 . 6 1 1 A 54 54 GLU H H 54 8.141 8.522 -0.381 1
1 625 . 6 1 1 A 54 54 GLU CA C 54 56.906 56.753 0.153 1
1 626 . 6 1 1 A 54 54 GLU HA H 54 4.291 4.214 0.077 1
1 627 . 6 1 1 A 54 54 GLU CB C 54 30.228 29.846 0.382 1
1 633 . 6 1 1 A 54 54 GLU C C 54 176.762 175.702 1.060 1
1 634 . 6 1 1 A 55 55 SER N N 55 115.834 117.725 -1.891 1
1 635 . 6 1 1 A 55 55 SER H H 55 8.178 8.544 -0.366 1
1 636 . 6 1 1 A 55 55 SER CA C 55 58.606 56.399 2.207 1
1 637 . 6 1 1 A 55 55 SER HA H 55 4.492 5.155 -0.663 1
1 638 . 6 1 1 A 55 55 SER CB C 55 63.869 65.369 -1.500 1
1 641 . 6 1 1 A 55 55 SER C C 55 174.614 173.141 1.473 1
1 642 . 6 1 1 A 56 56 GLY N N 56 110.601 113.940 -3.339 1
1 643 . 6 1 1 A 56 56 GLY H H 56 8.163 8.815 -0.652 1
1 644 . 6 1 1 A 56 56 GLY CA C 56 44.731 43.952 0.779 1
1 645 . 6 1 1 A 56 56 GLY HA2 H 56 4.098 4.135 -0.037 1
1 646 . 6 1 1 A 56 56 GLY HA3 H 56 4.167 4.135 0.032 1
1 647 . 6 1 1 A 56 56 GLY C C 56 171.805 174.824 -3.019 1
1 648 . 6 1 1 A 57 57 PRO CA C 57 63.271 63.769 -0.498 1
1 649 . 6 1 1 A 57 57 PRO HA H 57 4.475 4.652 -0.177 1
1 650 . 6 1 1 A 57 57 PRO CB C 57 32.133 31.792 0.341 1
1 659 . 6 1 1 A 57 57 PRO C C 57 177.422 176.139 1.283 1
1 660 . 6 1 1 A 58 58 SER N N 58 116.422 115.273 1.149 1
1 661 . 6 1 1 A 58 58 SER H H 58 8.524 7.990 0.534 1
1 662 . 6 1 1 A 58 58 SER CA C 58 58.457 58.015 0.442 1
1 663 . 6 1 1 A 58 58 SER HA H 58 4.494 4.401 0.093 1
1 664 . 6 1 1 A 58 58 SER CB C 58 63.945 63.581 0.364 1
1 667 . 6 1 1 A 58 58 SER C C 58 174.720 174.605 0.115 1
1 668 . 6 1 1 A 59 59 SER N N 59 117.951 122.701 -4.750 1
1 669 . 6 1 1 A 59 59 SER H H 59 8.342 9.136 -0.794 1
1 670 . 6 1 1 A 59 59 SER CA C 59 58.327 59.351 -1.024 1
1 671 . 6 1 1 A 59 59 SER HA H 59 4.491 4.169 0.322 1
1 672 . 6 1 1 A 59 59 SER CB C 59 63.965 61.916 2.049 1
1 675 . 6 1 1 A 59 59 SER C C 59 173.967 174.368 -0.401 1
1 1 . 7 1 1 A 5 5 SER N N 5 115.829 114.693 1.136 1
1 2 . 7 1 1 A 5 5 SER CA C 5 58.317 57.079 1.238 1
1 3 . 7 1 1 A 5 5 SER CB C 5 63.703 65.679 -1.976 1
1 4 . 7 1 1 A 5 5 SER C C 5 174.849 173.175 1.674 1
1 5 . 7 1 1 A 6 6 SER N N 6 117.994 119.294 -1.300 1
1 6 . 7 1 1 A 6 6 SER CA C 6 58.677 57.323 1.354 1
1 7 . 7 1 1 A 6 6 SER HA H 6 4.501 5.064 -0.563 1
1 8 . 7 1 1 A 6 6 SER CB C 6 63.732 65.553 -1.821 1
1 10 . 7 1 1 A 6 6 SER C C 6 175.043 174.104 0.939 1
1 11 . 7 1 1 A 7 7 GLY N N 7 110.716 107.646 3.070 1
1 12 . 7 1 1 A 7 7 GLY H H 7 8.429 8.391 0.038 1
1 13 . 7 1 1 A 7 7 GLY CA C 7 45.403 46.067 -0.664 1
1 14 . 7 1 1 A 7 7 GLY HA2 H 7 3.976 4.298 -0.322 1
1 15 . 7 1 1 A 7 7 GLY HA3 H 7 3.976 4.300 -0.324 1
1 16 . 7 1 1 A 7 7 GLY C C 7 174.231 172.244 1.987 1
1 17 . 7 1 1 A 8 8 LEU N N 8 121.547 121.467 0.080 1
1 18 . 7 1 1 A 8 8 LEU H H 8 8.132 8.661 -0.529 1
1 19 . 7 1 1 A 8 8 LEU CA C 8 55.233 52.506 2.727 1
1 20 . 7 1 1 A 8 8 LEU HA H 8 4.356 5.290 -0.934 1
1 21 . 7 1 1 A 8 8 LEU CB C 8 42.416 46.480 -4.064 1
1 31 . 7 1 1 A 8 8 LEU C C 8 177.479 174.931 2.548 1
1 32 . 7 1 1 A 9 9 ASP N N 9 120.983 117.920 3.063 1
1 33 . 7 1 1 A 9 9 ASP H H 9 8.413 8.831 -0.418 1
1 34 . 7 1 1 A 9 9 ASP CA C 9 54.826 53.034 1.792 1
1 35 . 7 1 1 A 9 9 ASP HA H 9 4.555 5.459 -0.904 1
1 36 . 7 1 1 A 9 9 ASP CB C 9 40.967 44.876 -3.909 1
1 39 . 7 1 1 A 9 9 ASP C C 9 176.609 174.571 2.038 1
1 40 . 7 1 1 A 10 10 SER N N 10 115.538 113.722 1.816 1
1 41 . 7 1 1 A 10 10 SER H H 10 8.146 8.624 -0.478 1
1 42 . 7 1 1 A 10 10 SER CA C 10 58.926 57.178 1.748 1
1 43 . 7 1 1 A 10 10 SER HA H 10 4.361 4.849 -0.488 1
1 44 . 7 1 1 A 10 10 SER CB C 10 63.924 66.044 -2.120 1
1 47 . 7 1 1 A 10 10 SER C C 10 174.922 174.710 0.212 1
1 48 . 7 1 1 A 11 11 GLU N N 11 122.324 120.050 2.274 1
1 49 . 7 1 1 A 11 11 GLU H H 11 8.416 9.125 -0.709 1
1 50 . 7 1 1 A 11 11 GLU CA C 11 56.763 58.948 -2.185 1
1 51 . 7 1 1 A 11 11 GLU HA H 11 4.262 3.590 0.672 1
1 52 . 7 1 1 A 11 11 GLU CB C 11 29.860 29.211 0.649 1
1 58 . 7 1 1 A 11 11 GLU C C 11 176.347 176.806 -0.459 1
1 59 . 7 1 1 A 12 12 LEU N N 12 121.580 116.973 4.607 1
1 60 . 7 1 1 A 12 12 LEU H H 12 7.957 7.995 -0.038 1
1 61 . 7 1 1 A 12 12 LEU CA C 12 54.921 56.293 -1.372 1
1 62 . 7 1 1 A 12 12 LEU HA H 12 4.311 3.878 0.433 1
1 63 . 7 1 1 A 12 12 LEU CB C 12 42.313 40.453 1.860 1
1 76 . 7 1 1 A 12 12 LEU C C 12 176.945 175.973 0.972 1
1 77 . 7 1 1 A 13 13 GLU N N 13 122.146 110.022 12.124 1
1 78 . 7 1 1 A 13 13 GLU H H 13 8.088 8.434 -0.346 1
1 79 . 7 1 1 A 13 13 GLU CA C 13 56.222 57.102 -0.880 1
1 80 . 7 1 1 A 13 13 GLU HA H 13 4.236 3.814 0.422 1
1 81 . 7 1 1 A 13 13 GLU CB C 13 30.332 27.458 2.874 1
1 86 . 7 1 1 A 13 13 GLU C C 13 175.667 175.863 -0.196 1
1 87 . 7 1 1 A 14 14 LEU N N 14 123.302 120.282 3.020 1
1 88 . 7 1 1 A 14 14 LEU H H 14 8.331 7.793 0.538 1
1 89 . 7 1 1 A 14 14 LEU CA C 14 52.689 53.733 -1.044 1
1 90 . 7 1 1 A 14 14 LEU HA H 14 4.376 4.066 0.310 1
1 91 . 7 1 1 A 14 14 LEU CB C 14 41.859 41.366 0.493 1
1 104 . 7 1 1 A 14 14 LEU C C 14 174.694 177.332 -2.638 1
1 105 . 7 1 1 A 15 15 PRO CA C 15 61.808 65.889 -4.081 1
1 106 . 7 1 1 A 15 15 PRO HA H 15 4.509 4.412 0.097 1
1 107 . 7 1 1 A 15 15 PRO CB C 15 31.501 31.530 -0.029 1
1 116 . 7 1 1 A 15 15 PRO C C 15 175.733 176.494 -0.761 1
1 117 . 7 1 1 A 16 16 ALA N N 16 123.226 117.039 6.187 1
1 118 . 7 1 1 A 16 16 ALA H H 16 8.427 8.057 0.370 1
1 119 . 7 1 1 A 16 16 ALA CA C 16 53.836 51.463 2.373 1
1 120 . 7 1 1 A 16 16 ALA HA H 16 4.235 4.768 -0.533 1
1 121 . 7 1 1 A 16 16 ALA CB C 16 18.391 22.756 -4.365 1
1 125 . 7 1 1 A 16 16 ALA C C 16 178.641 177.058 1.583 1
1 126 . 7 1 1 A 17 17 GLY N N 17 110.263 109.844 0.419 1
1 127 . 7 1 1 A 17 17 GLY H H 17 8.816 8.695 0.121 1
1 128 . 7 1 1 A 17 17 GLY CA C 17 45.465 46.001 -0.536 1
1 129 . 7 1 1 A 17 17 GLY HA2 H 17 3.759 3.690 0.069 1
1 130 . 7 1 1 A 17 17 GLY HA3 H 17 4.261 3.772 0.489 1
1 131 . 7 1 1 A 17 17 GLY C C 17 173.251 173.490 -0.239 1
1 132 . 7 1 1 A 18 18 TRP N N 18 118.263 119.378 -1.115 1
1 133 . 7 1 1 A 18 18 TRP H H 18 7.782 7.844 -0.062 1
1 134 . 7 1 1 A 18 18 TRP CA C 18 56.679 55.949 0.730 1
1 135 . 7 1 1 A 18 18 TRP HA H 18 5.840 5.077 0.763 1
1 136 . 7 1 1 A 18 18 TRP CB C 18 32.215 32.871 -0.656 1
1 151 . 7 1 1 A 18 18 TRP C C 18 177.038 174.605 2.433 1
1 152 . 7 1 1 A 19 19 GLU N N 19 122.023 124.137 -2.114 1
1 153 . 7 1 1 A 19 19 GLU H H 19 9.480 8.813 0.667 1
1 154 . 7 1 1 A 19 19 GLU CA C 19 55.126 55.021 0.105 1
1 155 . 7 1 1 A 19 19 GLU HA H 19 4.679 5.066 -0.387 1
1 156 . 7 1 1 A 19 19 GLU CB C 19 34.865 33.429 1.436 1
1 162 . 7 1 1 A 19 19 GLU C C 19 173.752 175.243 -1.491 1
1 163 . 7 1 1 A 20 20 LYS N N 20 127.008 127.986 -0.978 1
1 164 . 7 1 1 A 20 20 LYS H H 20 8.848 8.604 0.244 1
1 165 . 7 1 1 A 20 20 LYS CA C 20 55.531 56.557 -1.026 1
1 166 . 7 1 1 A 20 20 LYS HA H 20 4.379 4.820 -0.441 1
1 167 . 7 1 1 A 20 20 LYS CB C 20 33.946 32.907 1.039 1
1 178 . 7 1 1 A 20 20 LYS C C 20 174.530 175.058 -0.528 1
1 179 . 7 1 1 A 21 21 ILE N N 21 130.740 128.316 2.424 1
1 180 . 7 1 1 A 21 21 ILE H H 21 8.894 8.858 0.036 1
1 181 . 7 1 1 A 21 21 ILE CA C 21 58.996 60.132 -1.136 1
1 182 . 7 1 1 A 21 21 ILE HA H 21 4.035 4.497 -0.462 1
1 183 . 7 1 1 A 21 21 ILE CB C 21 38.249 39.939 -1.690 1
1 196 . 7 1 1 A 21 21 ILE C C 21 173.612 174.394 -0.782 1
1 197 . 7 1 1 A 22 22 GLU N N 22 124.546 127.268 -2.722 1
1 198 . 7 1 1 A 22 22 GLU H H 22 8.273 8.820 -0.547 1
1 199 . 7 1 1 A 22 22 GLU CA C 22 54.652 55.297 -0.645 1
1 200 . 7 1 1 A 22 22 GLU HA H 22 4.429 4.711 -0.282 1
1 201 . 7 1 1 A 22 22 GLU CB C 22 29.876 30.949 -1.073 1
1 207 . 7 1 1 A 22 22 GLU C C 22 174.548 175.246 -0.698 1
1 208 . 7 1 1 A 23 23 ASP N N 23 128.325 126.013 2.312 1
1 209 . 7 1 1 A 23 23 ASP H H 23 8.368 8.853 -0.485 1
1 210 . 7 1 1 A 23 23 ASP CA C 23 51.555 50.549 1.006 1
1 211 . 7 1 1 A 23 23 ASP HA H 23 5.093 5.192 -0.099 1
1 212 . 7 1 1 A 23 23 ASP CB C 23 45.902 42.530 3.372 1
1 215 . 7 1 1 A 23 23 ASP C C 23 175.729 176.173 -0.444 1
1 216 . 7 1 1 A 24 24 PRO CA C 24 64.824 64.891 -0.067 1
1 217 . 7 1 1 A 24 24 PRO HA H 24 4.356 4.451 -0.095 1
1 218 . 7 1 1 A 24 24 PRO CB C 24 32.297 32.217 0.080 1
1 227 . 7 1 1 A 24 24 PRO C C 24 176.540 177.779 -1.239 1
1 228 . 7 1 1 A 25 25 VAL N N 25 118.640 116.270 2.370 1
1 229 . 7 1 1 A 25 25 VAL H H 25 8.485 7.818 0.667 1
1 230 . 7 1 1 A 25 25 VAL CA C 25 64.125 64.145 -0.020 1
1 231 . 7 1 1 A 25 25 VAL HA H 25 3.856 3.945 -0.089 1
1 232 . 7 1 1 A 25 25 VAL CB C 25 33.098 32.498 0.600 1
1 242 . 7 1 1 A 25 25 VAL C C 25 177.626 177.317 0.309 1
1 243 . 7 1 1 A 26 26 TYR N N 26 117.602 117.149 0.453 1
1 244 . 7 1 1 A 26 26 TYR H H 26 8.632 8.360 0.272 1
1 245 . 7 1 1 A 26 26 TYR CA C 26 59.189 59.416 -0.227 1
1 246 . 7 1 1 A 26 26 TYR HA H 26 4.469 4.531 -0.062 1
1 247 . 7 1 1 A 26 26 TYR CB C 26 39.193 38.887 0.306 1
1 258 . 7 1 1 A 26 26 TYR C C 26 176.124 176.587 -0.463 1
1 259 . 7 1 1 A 27 27 GLY N N 27 110.042 106.632 3.410 1
1 260 . 7 1 1 A 27 27 GLY H H 27 8.181 7.962 0.219 1
1 261 . 7 1 1 A 27 27 GLY CA C 27 44.979 44.712 0.267 1
1 262 . 7 1 1 A 27 27 GLY HA2 H 27 3.890 4.126 -0.236 1
1 263 . 7 1 1 A 27 27 GLY HA3 H 27 4.390 4.159 0.231 1
1 264 . 7 1 1 A 27 27 GLY C C 27 173.043 173.214 -0.171 1
1 265 . 7 1 1 A 28 28 ILE N N 28 121.278 121.250 0.028 1
1 266 . 7 1 1 A 28 28 ILE H H 28 8.259 8.177 0.082 1
1 267 . 7 1 1 A 28 28 ILE CA C 28 60.867 60.873 -0.006 1
1 268 . 7 1 1 A 28 28 ILE HA H 28 4.900 4.782 0.118 1
1 269 . 7 1 1 A 28 28 ILE CB C 28 38.763 38.261 0.502 1
1 282 . 7 1 1 A 28 28 ILE C C 28 176.805 174.790 2.015 1
1 283 . 7 1 1 A 29 29 TYR N N 29 124.534 123.874 0.660 1
1 284 . 7 1 1 A 29 29 TYR H H 29 8.822 8.620 0.202 1
1 285 . 7 1 1 A 29 29 TYR CA C 29 56.332 55.504 0.828 1
1 286 . 7 1 1 A 29 29 TYR HA H 29 4.712 4.920 -0.208 1
1 287 . 7 1 1 A 29 29 TYR CB C 29 38.879 41.584 -2.705 1
1 298 . 7 1 1 A 29 29 TYR C C 29 170.710 172.062 -1.352 1
1 299 . 7 1 1 A 30 30 TYR N N 30 116.432 120.313 -3.881 1
1 300 . 7 1 1 A 30 30 TYR H H 30 8.981 8.909 0.072 1
1 301 . 7 1 1 A 30 30 TYR CA C 30 56.921 57.581 -0.660 1
1 302 . 7 1 1 A 30 30 TYR HA H 30 5.417 5.693 -0.276 1
1 303 . 7 1 1 A 30 30 TYR CB C 30 41.603 40.352 1.251 1
1 314 . 7 1 1 A 30 30 TYR C C 30 174.825 174.967 -0.142 1
1 315 . 7 1 1 A 31 31 VAL N N 31 121.385 123.601 -2.216 1
1 316 . 7 1 1 A 31 31 VAL H H 31 9.266 9.296 -0.030 1
1 317 . 7 1 1 A 31 31 VAL CA C 31 60.346 59.805 0.541 1
1 318 . 7 1 1 A 31 31 VAL HA H 31 4.610 4.954 -0.344 1
1 319 . 7 1 1 A 31 31 VAL CB C 31 35.393 34.419 0.974 1
1 329 . 7 1 1 A 31 31 VAL C C 31 173.103 173.649 -0.546 1
1 330 . 7 1 1 A 32 32 ASP N N 32 126.129 126.975 -0.846 1
1 331 . 7 1 1 A 32 32 ASP H H 32 8.340 8.690 -0.350 1
1 332 . 7 1 1 A 32 32 ASP CA C 32 51.134 53.334 -2.200 1
1 333 . 7 1 1 A 32 32 ASP HA H 32 3.702 5.051 -1.349 1
1 334 . 7 1 1 A 32 32 ASP CB C 32 39.252 40.995 -1.743 1
1 337 . 7 1 1 A 32 32 ASP C C 32 177.731 176.084 1.647 1
1 338 . 7 1 1 A 33 33 HIS N N 33 121.984 121.517 0.467 1
1 339 . 7 1 1 A 33 33 HIS H H 33 8.728 7.989 0.739 1
1 340 . 7 1 1 A 33 33 HIS CA C 33 58.404 57.860 0.544 1
1 341 . 7 1 1 A 33 33 HIS HA H 33 4.218 4.366 -0.148 1
1 342 . 7 1 1 A 33 33 HIS CB C 33 30.594 29.262 1.332 1
1 349 . 7 1 1 A 33 33 HIS C C 33 176.844 175.646 1.198 1
1 350 . 7 1 1 A 34 34 ILE N N 34 120.023 118.556 1.467 1
1 351 . 7 1 1 A 34 34 ILE H H 34 8.090 7.598 0.492 1
1 352 . 7 1 1 A 34 34 ILE CA C 34 63.382 62.663 0.719 1
1 353 . 7 1 1 A 34 34 ILE HA H 34 3.845 3.983 -0.138 1
1 354 . 7 1 1 A 34 34 ILE CB C 34 37.023 39.050 -2.027 1
1 367 . 7 1 1 A 34 34 ILE C C 34 177.464 177.568 -0.104 1
1 368 . 7 1 1 A 35 35 ASN N N 35 115.543 117.899 -2.356 1
1 369 . 7 1 1 A 35 35 ASN H H 35 7.620 7.930 -0.310 1
1 370 . 7 1 1 A 35 35 ASN CA C 35 53.139 53.257 -0.118 1
1 371 . 7 1 1 A 35 35 ASN HA H 35 4.587 4.660 -0.073 1
1 372 . 7 1 1 A 35 35 ASN CB C 35 38.909 38.806 0.103 1
1 378 . 7 1 1 A 35 35 ASN C C 35 173.887 174.617 -0.730 1
1 379 . 7 1 1 A 36 36 ARG N N 36 117.698 116.350 1.348 1
1 380 . 7 1 1 A 36 36 ARG H H 36 7.596 8.100 -0.504 1
1 381 . 7 1 1 A 36 36 ARG CA C 36 56.824 57.178 -0.354 1
1 382 . 7 1 1 A 36 36 ARG HA H 36 3.850 4.046 -0.196 1
1 383 . 7 1 1 A 36 36 ARG CB C 36 26.161 26.961 -0.800 1
1 390 . 7 1 1 A 36 36 ARG C C 36 174.732 174.272 0.460 1
1 391 . 7 1 1 A 37 37 LYS N N 37 117.773 116.970 0.803 1
1 392 . 7 1 1 A 37 37 LYS H H 37 7.471 7.350 0.121 1
1 393 . 7 1 1 A 37 37 LYS CA C 37 54.528 54.764 -0.236 1
1 394 . 7 1 1 A 37 37 LYS HA H 37 4.795 4.936 -0.141 1
1 395 . 7 1 1 A 37 37 LYS CB C 37 36.493 36.012 0.481 1
1 404 . 7 1 1 A 37 37 LYS C C 37 174.870 175.560 -0.690 1
1 405 . 7 1 1 A 38 38 THR N N 38 114.635 113.612 1.023 1
1 406 . 7 1 1 A 38 38 THR H H 38 8.322 8.758 -0.436 1
1 407 . 7 1 1 A 38 38 THR CA C 38 60.506 60.639 -0.133 1
1 408 . 7 1 1 A 38 38 THR HA H 38 5.390 5.517 -0.127 1
1 409 . 7 1 1 A 38 38 THR CB C 38 71.424 71.323 0.101 1
1 415 . 7 1 1 A 38 38 THR C C 38 173.840 173.771 0.069 1
1 416 . 7 1 1 A 39 39 GLN N N 39 117.672 122.133 -4.461 1
1 417 . 7 1 1 A 39 39 GLN H H 39 9.335 9.018 0.317 1
1 418 . 7 1 1 A 39 39 GLN CA C 39 54.878 54.643 0.235 1
1 419 . 7 1 1 A 39 39 GLN HA H 39 4.899 5.133 -0.234 1
1 420 . 7 1 1 A 39 39 GLN CB C 39 32.186 32.663 -0.477 1
1 429 . 7 1 1 A 39 39 GLN C C 39 174.549 175.467 -0.918 1
1 430 . 7 1 1 A 40 40 TYR N N 40 119.391 120.945 -1.554 1
1 431 . 7 1 1 A 40 40 TYR H H 40 8.858 9.369 -0.511 1
1 432 . 7 1 1 A 40 40 TYR CA C 40 60.804 60.245 0.559 1
1 433 . 7 1 1 A 40 40 TYR HA H 40 4.752 4.330 0.422 1
1 434 . 7 1 1 A 40 40 TYR CB C 40 39.167 38.802 0.365 1
1 445 . 7 1 1 A 40 40 TYR C C 40 176.295 176.855 -0.560 1
1 446 . 7 1 1 A 41 41 GLU N N 41 119.491 118.257 1.234 1
1 447 . 7 1 1 A 41 41 GLU H H 41 8.079 8.005 0.074 1
1 448 . 7 1 1 A 41 41 GLU CA C 41 56.296 56.995 -0.699 1
1 449 . 7 1 1 A 41 41 GLU HA H 41 4.351 4.274 0.077 1
1 450 . 7 1 1 A 41 41 GLU CB C 41 30.517 30.018 0.499 1
1 456 . 7 1 1 A 41 41 GLU C C 41 175.460 176.418 -0.958 1
1 457 . 7 1 1 A 42 42 ASN N N 42 125.050 124.995 0.055 1
1 458 . 7 1 1 A 42 42 ASN H H 42 8.720 8.817 -0.097 1
1 459 . 7 1 1 A 42 42 ASN CA C 42 51.186 51.209 -0.023 1
1 460 . 7 1 1 A 42 42 ASN HA H 42 2.979 4.884 -1.905 1
1 461 . 7 1 1 A 42 42 ASN CB C 42 38.637 39.220 -0.583 1
1 467 . 7 1 1 A 42 42 ASN C C 42 174.950 175.525 -0.575 1
1 468 . 7 1 1 A 43 43 PRO CA C 43 63.681 64.958 -1.277 1
1 469 . 7 1 1 A 43 43 PRO HA H 43 3.869 4.160 -0.291 1
1 470 . 7 1 1 A 43 43 PRO CB C 43 31.408 31.085 0.323 1
1 479 . 7 1 1 A 43 43 PRO C C 43 178.273 178.484 -0.211 1
1 480 . 7 1 1 A 44 44 VAL N N 44 119.901 115.929 3.972 1
1 481 . 7 1 1 A 44 44 VAL H H 44 7.968 7.189 0.779 1
1 482 . 7 1 1 A 44 44 VAL CA C 44 64.744 65.447 -0.703 1
1 483 . 7 1 1 A 44 44 VAL HA H 44 3.646 3.595 0.051 1
1 484 . 7 1 1 A 44 44 VAL CB C 44 31.581 31.385 0.196 1
1 494 . 7 1 1 A 44 44 VAL C C 44 177.625 178.116 -0.491 1
1 495 . 7 1 1 A 45 45 LEU N N 45 120.711 119.661 1.050 1
1 496 . 7 1 1 A 45 45 LEU H H 45 7.076 7.959 -0.883 1
1 497 . 7 1 1 A 45 45 LEU CA C 45 56.822 58.003 -1.181 1
1 498 . 7 1 1 A 45 45 LEU HA H 45 3.994 3.908 0.086 1
1 499 . 7 1 1 A 45 45 LEU CB C 45 41.194 41.162 0.032 1
1 512 . 7 1 1 A 45 45 LEU C C 45 179.099 178.924 0.175 1
1 513 . 7 1 1 A 46 46 GLU N N 46 120.581 119.707 0.874 1
1 514 . 7 1 1 A 46 46 GLU H H 46 8.001 7.950 0.051 1
1 515 . 7 1 1 A 46 46 GLU CA C 46 58.462 59.354 -0.892 1
1 516 . 7 1 1 A 46 46 GLU HA H 46 3.961 3.996 -0.035 1
1 517 . 7 1 1 A 46 46 GLU CB C 46 29.956 29.130 0.826 1
1 523 . 7 1 1 A 46 46 GLU C C 46 177.685 178.385 -0.700 1
1 524 . 7 1 1 A 47 47 ALA N N 47 121.265 121.019 0.246 1
1 525 . 7 1 1 A 47 47 ALA H H 47 7.625 8.094 -0.469 1
1 526 . 7 1 1 A 47 47 ALA CA C 47 54.438 55.019 -0.581 1
1 527 . 7 1 1 A 47 47 ALA HA H 47 4.082 4.107 -0.025 1
1 528 . 7 1 1 A 47 47 ALA CB C 47 18.192 18.390 -0.198 1
1 532 . 7 1 1 A 47 47 ALA C C 47 179.879 179.670 0.209 1
1 533 . 7 1 1 A 48 48 LYS N N 48 118.414 116.701 1.713 1
1 534 . 7 1 1 A 48 48 LYS H H 48 7.776 7.936 -0.160 1
1 535 . 7 1 1 A 48 48 LYS CA C 48 58.491 58.686 -0.195 1
1 536 . 7 1 1 A 48 48 LYS HA H 48 4.063 4.105 -0.042 1
1 537 . 7 1 1 A 48 48 LYS CB C 48 32.565 31.327 1.238 1
1 547 . 7 1 1 A 48 48 LYS C C 48 178.235 178.332 -0.097 1
1 548 . 7 1 1 A 49 49 ARG N N 49 120.324 119.860 0.464 1
1 549 . 7 1 1 A 49 49 ARG H H 49 7.968 8.101 -0.133 1
1 550 . 7 1 1 A 49 49 ARG CA C 49 58.156 58.301 -0.145 1
1 551 . 7 1 1 A 49 49 ARG HA H 49 4.140 4.156 -0.016 1
1 552 . 7 1 1 A 49 49 ARG CB C 49 30.349 30.430 -0.081 1
1 561 . 7 1 1 A 49 49 ARG C C 49 177.985 178.090 -0.105 1
1 562 . 7 1 1 A 50 50 LYS N N 50 120.001 117.987 2.014 1
1 563 . 7 1 1 A 50 50 LYS H H 50 8.051 8.338 -0.287 1
1 564 . 7 1 1 A 50 50 LYS CA C 50 58.185 58.259 -0.074 1
1 565 . 7 1 1 A 50 50 LYS HA H 50 4.099 4.187 -0.088 1
1 566 . 7 1 1 A 50 50 LYS CB C 50 32.645 32.696 -0.051 1
1 575 . 7 1 1 A 50 50 LYS C C 50 177.791 178.686 -0.895 1
1 576 . 7 1 1 A 51 51 LYS N N 51 120.458 119.711 0.747 1
1 577 . 7 1 1 A 51 51 LYS H H 51 7.915 8.068 -0.153 1
1 578 . 7 1 1 A 51 51 LYS CA C 51 57.452 58.783 -1.331 1
1 579 . 7 1 1 A 51 51 LYS HA H 51 4.189 4.191 -0.002 1
1 580 . 7 1 1 A 51 51 LYS CB C 51 32.620 32.859 -0.239 1
1 590 . 7 1 1 A 51 51 LYS C C 51 177.670 178.657 -0.987 1
1 591 . 7 1 1 A 52 52 GLN N N 52 119.883 116.299 3.584 1
1 592 . 7 1 1 A 52 52 GLN H H 52 8.060 8.187 -0.127 1
1 593 . 7 1 1 A 52 52 GLN CA C 52 56.866 58.220 -1.354 1
1 594 . 7 1 1 A 52 52 GLN HA H 52 4.213 4.126 0.087 1
1 595 . 7 1 1 A 52 52 GLN CB C 52 28.969 28.145 0.824 1
1 604 . 7 1 1 A 52 52 GLN C C 52 176.851 176.498 0.353 1
1 605 . 7 1 1 A 53 53 LEU N N 53 121.489 123.074 -1.585 1
1 606 . 7 1 1 A 53 53 LEU H H 53 8.027 7.601 0.426 1
1 607 . 7 1 1 A 53 53 LEU CA C 53 55.826 55.746 0.080 1
1 608 . 7 1 1 A 53 53 LEU HA H 53 4.288 4.154 0.134 1
1 609 . 7 1 1 A 53 53 LEU CB C 53 42.379 42.131 0.248 1
1 622 . 7 1 1 A 53 53 LEU C C 53 177.973 176.449 1.524 1
1 623 . 7 1 1 A 54 54 GLU N N 54 120.395 125.024 -4.629 1
1 624 . 7 1 1 A 54 54 GLU H H 54 8.141 8.666 -0.525 1
1 625 . 7 1 1 A 54 54 GLU CA C 54 56.906 55.781 1.125 1
1 626 . 7 1 1 A 54 54 GLU HA H 54 4.291 4.545 -0.254 1
1 627 . 7 1 1 A 54 54 GLU CB C 54 30.228 28.458 1.770 1
1 633 . 7 1 1 A 54 54 GLU C C 54 176.762 175.411 1.351 1
1 634 . 7 1 1 A 55 55 SER N N 55 115.834 120.022 -4.188 1
1 635 . 7 1 1 A 55 55 SER H H 55 8.178 8.427 -0.249 1
1 636 . 7 1 1 A 55 55 SER CA C 55 58.606 56.160 2.446 1
1 637 . 7 1 1 A 55 55 SER HA H 55 4.492 5.212 -0.720 1
1 638 . 7 1 1 A 55 55 SER CB C 55 63.869 65.745 -1.876 1
1 641 . 7 1 1 A 55 55 SER C C 55 174.614 174.354 0.260 1
1 642 . 7 1 1 A 56 56 GLY N N 56 110.601 112.169 -1.568 1
1 643 . 7 1 1 A 56 56 GLY H H 56 8.163 8.448 -0.285 1
1 644 . 7 1 1 A 56 56 GLY CA C 56 44.731 44.805 -0.074 1
1 645 . 7 1 1 A 56 56 GLY HA2 H 56 4.098 4.024 0.074 1
1 646 . 7 1 1 A 56 56 GLY HA3 H 56 4.167 4.024 0.143 1
1 647 . 7 1 1 A 56 56 GLY C C 56 171.805 173.144 -1.339 1
1 648 . 7 1 1 A 57 57 PRO CA C 57 63.271 62.767 0.504 1
1 649 . 7 1 1 A 57 57 PRO HA H 57 4.475 4.688 -0.213 1
1 650 . 7 1 1 A 57 57 PRO CB C 57 32.133 32.701 -0.568 1
1 659 . 7 1 1 A 57 57 PRO C C 57 177.422 176.191 1.231 1
1 660 . 7 1 1 A 58 58 SER N N 58 116.422 115.522 0.900 1
1 661 . 7 1 1 A 58 58 SER H H 58 8.524 8.467 0.057 1
1 662 . 7 1 1 A 58 58 SER CA C 58 58.457 56.477 1.980 1
1 663 . 7 1 1 A 58 58 SER HA H 58 4.494 4.981 -0.487 1
1 664 . 7 1 1 A 58 58 SER CB C 58 63.945 65.838 -1.893 1
1 667 . 7 1 1 A 58 58 SER C C 58 174.720 173.620 1.100 1
1 668 . 7 1 1 A 59 59 SER N N 59 117.951 118.927 -0.976 1
1 669 . 7 1 1 A 59 59 SER H H 59 8.342 8.741 -0.399 1
1 670 . 7 1 1 A 59 59 SER CA C 59 58.327 60.396 -2.069 1
1 671 . 7 1 1 A 59 59 SER HA H 59 4.491 4.176 0.315 1
1 672 . 7 1 1 A 59 59 SER CB C 59 63.965 62.607 1.358 1
1 675 . 7 1 1 A 59 59 SER C C 59 173.967 175.879 -1.912 1
1 1 . 8 1 1 A 5 5 SER N N 5 115.829 116.826 -0.997 1
1 2 . 8 1 1 A 5 5 SER CA C 5 58.317 58.639 -0.322 1
1 3 . 8 1 1 A 5 5 SER CB C 5 63.703 64.436 -0.733 1
1 4 . 8 1 1 A 5 5 SER C C 5 174.849 173.465 1.384 1
1 5 . 8 1 1 A 6 6 SER N N 6 117.994 119.878 -1.884 1
1 6 . 8 1 1 A 6 6 SER CA C 6 58.677 58.589 0.088 1
1 7 . 8 1 1 A 6 6 SER HA H 6 4.501 4.532 -0.031 1
1 8 . 8 1 1 A 6 6 SER CB C 6 63.732 63.651 0.081 1
1 10 . 8 1 1 A 6 6 SER C C 6 175.043 174.583 0.460 1
1 11 . 8 1 1 A 7 7 GLY N N 7 110.716 113.634 -2.918 1
1 12 . 8 1 1 A 7 7 GLY H H 7 8.429 8.408 0.021 1
1 13 . 8 1 1 A 7 7 GLY CA C 7 45.403 45.686 -0.283 1
1 14 . 8 1 1 A 7 7 GLY HA2 H 7 3.976 3.982 -0.006 1
1 15 . 8 1 1 A 7 7 GLY HA3 H 7 3.976 4.017 -0.041 1
1 16 . 8 1 1 A 7 7 GLY C C 7 174.231 175.600 -1.369 1
1 17 . 8 1 1 A 8 8 LEU N N 8 121.547 119.289 2.258 1
1 18 . 8 1 1 A 8 8 LEU H H 8 8.132 8.717 -0.585 1
1 19 . 8 1 1 A 8 8 LEU CA C 8 55.233 53.832 1.401 1
1 20 . 8 1 1 A 8 8 LEU HA H 8 4.356 4.601 -0.245 1
1 21 . 8 1 1 A 8 8 LEU CB C 8 42.416 42.093 0.323 1
1 31 . 8 1 1 A 8 8 LEU C C 8 177.479 175.466 2.013 1
1 32 . 8 1 1 A 9 9 ASP N N 9 120.983 119.102 1.881 1
1 33 . 8 1 1 A 9 9 ASP H H 9 8.413 7.872 0.541 1
1 34 . 8 1 1 A 9 9 ASP CA C 9 54.826 52.756 2.070 1
1 35 . 8 1 1 A 9 9 ASP HA H 9 4.555 5.295 -0.740 1
1 36 . 8 1 1 A 9 9 ASP CB C 9 40.967 46.326 -5.359 1
1 39 . 8 1 1 A 9 9 ASP C C 9 176.609 174.666 1.943 1
1 40 . 8 1 1 A 10 10 SER N N 10 115.538 112.835 2.703 1
1 41 . 8 1 1 A 10 10 SER H H 10 8.146 8.576 -0.430 1
1 42 . 8 1 1 A 10 10 SER CA C 10 58.926 56.771 2.155 1
1 43 . 8 1 1 A 10 10 SER HA H 10 4.361 5.042 -0.681 1
1 44 . 8 1 1 A 10 10 SER CB C 10 63.924 66.454 -2.530 1
1 47 . 8 1 1 A 10 10 SER C C 10 174.922 175.120 -0.198 1
1 48 . 8 1 1 A 11 11 GLU N N 11 122.324 120.274 2.050 1
1 49 . 8 1 1 A 11 11 GLU H H 11 8.416 9.153 -0.737 1
1 50 . 8 1 1 A 11 11 GLU CA C 11 56.763 58.985 -2.222 1
1 51 . 8 1 1 A 11 11 GLU HA H 11 4.262 3.658 0.604 1
1 52 . 8 1 1 A 11 11 GLU CB C 11 29.860 29.265 0.595 1
1 58 . 8 1 1 A 11 11 GLU C C 11 176.347 176.752 -0.405 1
1 59 . 8 1 1 A 12 12 LEU N N 12 121.580 116.973 4.607 1
1 60 . 8 1 1 A 12 12 LEU H H 12 7.957 7.961 -0.004 1
1 61 . 8 1 1 A 12 12 LEU CA C 12 54.921 56.285 -1.364 1
1 62 . 8 1 1 A 12 12 LEU HA H 12 4.311 3.866 0.445 1
1 63 . 8 1 1 A 12 12 LEU CB C 12 42.313 40.457 1.856 1
1 76 . 8 1 1 A 12 12 LEU C C 12 176.945 175.985 0.960 1
1 77 . 8 1 1 A 13 13 GLU N N 13 122.146 110.031 12.115 1
1 78 . 8 1 1 A 13 13 GLU H H 13 8.088 8.450 -0.362 1
1 79 . 8 1 1 A 13 13 GLU CA C 13 56.222 57.109 -0.887 1
1 80 . 8 1 1 A 13 13 GLU HA H 13 4.236 3.793 0.443 1
1 81 . 8 1 1 A 13 13 GLU CB C 13 30.332 27.545 2.787 1
1 86 . 8 1 1 A 13 13 GLU C C 13 175.667 175.877 -0.210 1
1 87 . 8 1 1 A 14 14 LEU N N 14 123.302 120.303 2.999 1
1 88 . 8 1 1 A 14 14 LEU H H 14 8.331 7.819 0.512 1
1 89 . 8 1 1 A 14 14 LEU CA C 14 52.689 53.753 -1.064 1
1 90 . 8 1 1 A 14 14 LEU HA H 14 4.376 4.083 0.293 1
1 91 . 8 1 1 A 14 14 LEU CB C 14 41.859 41.395 0.464 1
1 104 . 8 1 1 A 14 14 LEU C C 14 174.694 177.216 -2.522 1
1 105 . 8 1 1 A 15 15 PRO CA C 15 61.808 65.904 -4.096 1
1 106 . 8 1 1 A 15 15 PRO HA H 15 4.509 4.425 0.084 1
1 107 . 8 1 1 A 15 15 PRO CB C 15 31.501 31.543 -0.042 1
1 116 . 8 1 1 A 15 15 PRO C C 15 175.733 176.514 -0.781 1
1 117 . 8 1 1 A 16 16 ALA N N 16 123.226 117.063 6.163 1
1 118 . 8 1 1 A 16 16 ALA H H 16 8.427 8.075 0.352 1
1 119 . 8 1 1 A 16 16 ALA CA C 16 53.836 51.493 2.343 1
1 120 . 8 1 1 A 16 16 ALA HA H 16 4.235 4.801 -0.566 1
1 121 . 8 1 1 A 16 16 ALA CB C 16 18.391 22.777 -4.386 1
1 125 . 8 1 1 A 16 16 ALA C C 16 178.641 177.098 1.543 1
1 126 . 8 1 1 A 17 17 GLY N N 17 110.263 109.950 0.313 1
1 127 . 8 1 1 A 17 17 GLY H H 17 8.816 8.772 0.044 1
1 128 . 8 1 1 A 17 17 GLY CA C 17 45.465 46.054 -0.589 1
1 129 . 8 1 1 A 17 17 GLY HA2 H 17 3.759 3.761 -0.002 1
1 130 . 8 1 1 A 17 17 GLY HA3 H 17 4.261 3.922 0.339 1
1 131 . 8 1 1 A 17 17 GLY C C 17 173.251 173.516 -0.265 1
1 132 . 8 1 1 A 18 18 TRP N N 18 118.263 119.465 -1.202 1
1 133 . 8 1 1 A 18 18 TRP H H 18 7.782 7.958 -0.176 1
1 134 . 8 1 1 A 18 18 TRP CA C 18 56.679 55.861 0.818 1
1 135 . 8 1 1 A 18 18 TRP HA H 18 5.840 5.196 0.644 1
1 136 . 8 1 1 A 18 18 TRP CB C 18 32.215 33.112 -0.897 1
1 151 . 8 1 1 A 18 18 TRP C C 18 177.038 174.973 2.065 1
1 152 . 8 1 1 A 19 19 GLU N N 19 122.023 123.086 -1.063 1
1 153 . 8 1 1 A 19 19 GLU H H 19 9.480 8.627 0.853 1
1 154 . 8 1 1 A 19 19 GLU CA C 19 55.126 55.306 -0.180 1
1 155 . 8 1 1 A 19 19 GLU HA H 19 4.679 5.016 -0.337 1
1 156 . 8 1 1 A 19 19 GLU CB C 19 34.865 33.629 1.236 1
1 162 . 8 1 1 A 19 19 GLU C C 19 173.752 174.873 -1.121 1
1 163 . 8 1 1 A 20 20 LYS N N 20 127.008 127.438 -0.430 1
1 164 . 8 1 1 A 20 20 LYS H H 20 8.848 8.629 0.219 1
1 165 . 8 1 1 A 20 20 LYS CA C 20 55.531 56.612 -1.081 1
1 166 . 8 1 1 A 20 20 LYS HA H 20 4.379 4.747 -0.368 1
1 167 . 8 1 1 A 20 20 LYS CB C 20 33.946 32.869 1.077 1
1 178 . 8 1 1 A 20 20 LYS C C 20 174.530 175.143 -0.613 1
1 179 . 8 1 1 A 21 21 ILE N N 21 130.740 129.708 1.032 1
1 180 . 8 1 1 A 21 21 ILE H H 21 8.894 9.090 -0.196 1
1 181 . 8 1 1 A 21 21 ILE CA C 21 58.996 60.123 -1.127 1
1 182 . 8 1 1 A 21 21 ILE HA H 21 4.035 4.420 -0.385 1
1 183 . 8 1 1 A 21 21 ILE CB C 21 38.249 39.188 -0.939 1
1 196 . 8 1 1 A 21 21 ILE C C 21 173.612 174.501 -0.889 1
1 197 . 8 1 1 A 22 22 GLU N N 22 124.546 127.641 -3.095 1
1 198 . 8 1 1 A 22 22 GLU H H 22 8.273 8.856 -0.583 1
1 199 . 8 1 1 A 22 22 GLU CA C 22 54.652 55.346 -0.694 1
1 200 . 8 1 1 A 22 22 GLU HA H 22 4.429 4.733 -0.304 1
1 201 . 8 1 1 A 22 22 GLU CB C 22 29.876 30.991 -1.115 1
1 207 . 8 1 1 A 22 22 GLU C C 22 174.548 175.295 -0.747 1
1 208 . 8 1 1 A 23 23 ASP N N 23 128.325 126.132 2.193 1
1 209 . 8 1 1 A 23 23 ASP H H 23 8.368 8.969 -0.601 1
1 210 . 8 1 1 A 23 23 ASP CA C 23 51.555 50.566 0.989 1
1 211 . 8 1 1 A 23 23 ASP HA H 23 5.093 5.212 -0.119 1
1 212 . 8 1 1 A 23 23 ASP CB C 23 45.902 42.539 3.363 1
1 215 . 8 1 1 A 23 23 ASP C C 23 175.729 176.099 -0.370 1
1 216 . 8 1 1 A 24 24 PRO CA C 24 64.824 64.924 -0.100 1
1 217 . 8 1 1 A 24 24 PRO HA H 24 4.356 4.467 -0.111 1
1 218 . 8 1 1 A 24 24 PRO CB C 24 32.297 32.238 0.059 1
1 227 . 8 1 1 A 24 24 PRO C C 24 176.540 177.480 -0.940 1
1 228 . 8 1 1 A 25 25 VAL N N 25 118.640 116.202 2.438 1
1 229 . 8 1 1 A 25 25 VAL H H 25 8.485 7.824 0.661 1
1 230 . 8 1 1 A 25 25 VAL CA C 25 64.125 64.109 0.016 1
1 231 . 8 1 1 A 25 25 VAL HA H 25 3.856 3.950 -0.094 1
1 232 . 8 1 1 A 25 25 VAL CB C 25 33.098 32.570 0.528 1
1 242 . 8 1 1 A 25 25 VAL C C 25 177.626 177.290 0.336 1
1 243 . 8 1 1 A 26 26 TYR N N 26 117.602 117.151 0.451 1
1 244 . 8 1 1 A 26 26 TYR H H 26 8.632 8.326 0.306 1
1 245 . 8 1 1 A 26 26 TYR CA C 26 59.189 59.429 -0.240 1
1 246 . 8 1 1 A 26 26 TYR HA H 26 4.469 4.485 -0.016 1
1 247 . 8 1 1 A 26 26 TYR CB C 26 39.193 38.828 0.365 1
1 258 . 8 1 1 A 26 26 TYR C C 26 176.124 176.593 -0.469 1
1 259 . 8 1 1 A 27 27 GLY N N 27 110.042 106.734 3.308 1
1 260 . 8 1 1 A 27 27 GLY H H 27 8.181 7.982 0.199 1
1 261 . 8 1 1 A 27 27 GLY CA C 27 44.979 44.625 0.354 1
1 262 . 8 1 1 A 27 27 GLY HA2 H 27 3.890 4.171 -0.281 1
1 263 . 8 1 1 A 27 27 GLY HA3 H 27 4.390 4.224 0.166 1
1 264 . 8 1 1 A 27 27 GLY C C 27 173.043 173.387 -0.344 1
1 265 . 8 1 1 A 28 28 ILE N N 28 121.278 121.422 -0.144 1
1 266 . 8 1 1 A 28 28 ILE H H 28 8.259 8.363 -0.104 1
1 267 . 8 1 1 A 28 28 ILE CA C 28 60.867 60.942 -0.075 1
1 268 . 8 1 1 A 28 28 ILE HA H 28 4.900 4.939 -0.039 1
1 269 . 8 1 1 A 28 28 ILE CB C 28 38.763 38.331 0.432 1
1 282 . 8 1 1 A 28 28 ILE C C 28 176.805 175.305 1.500 1
1 283 . 8 1 1 A 29 29 TYR N N 29 124.534 124.023 0.511 1
1 284 . 8 1 1 A 29 29 TYR H H 29 8.822 8.751 0.071 1
1 285 . 8 1 1 A 29 29 TYR CA C 29 56.332 55.475 0.857 1
1 286 . 8 1 1 A 29 29 TYR HA H 29 4.712 5.284 -0.572 1
1 287 . 8 1 1 A 29 29 TYR CB C 29 38.879 41.780 -2.901 1
1 298 . 8 1 1 A 29 29 TYR C C 29 170.710 172.144 -1.434 1
1 299 . 8 1 1 A 30 30 TYR N N 30 116.432 120.392 -3.960 1
1 300 . 8 1 1 A 30 30 TYR H H 30 8.981 8.949 0.032 1
1 301 . 8 1 1 A 30 30 TYR CA C 30 56.921 57.334 -0.413 1
1 302 . 8 1 1 A 30 30 TYR HA H 30 5.417 5.709 -0.292 1
1 303 . 8 1 1 A 30 30 TYR CB C 30 41.603 40.379 1.224 1
1 314 . 8 1 1 A 30 30 TYR C C 30 174.825 175.117 -0.292 1
1 315 . 8 1 1 A 31 31 VAL N N 31 121.385 124.047 -2.662 1
1 316 . 8 1 1 A 31 31 VAL H H 31 9.266 9.111 0.155 1
1 317 . 8 1 1 A 31 31 VAL CA C 31 60.346 59.641 0.705 1
1 318 . 8 1 1 A 31 31 VAL HA H 31 4.610 4.897 -0.287 1
1 319 . 8 1 1 A 31 31 VAL CB C 31 35.393 34.246 1.147 1
1 329 . 8 1 1 A 31 31 VAL C C 31 173.103 173.409 -0.306 1
1 330 . 8 1 1 A 32 32 ASP N N 32 126.129 126.851 -0.722 1
1 331 . 8 1 1 A 32 32 ASP H H 32 8.340 9.015 -0.675 1
1 332 . 8 1 1 A 32 32 ASP CA C 32 51.134 53.335 -2.201 1
1 333 . 8 1 1 A 32 32 ASP HA H 32 3.702 4.805 -1.103 1
1 334 . 8 1 1 A 32 32 ASP CB C 32 39.252 41.465 -2.213 1
1 337 . 8 1 1 A 32 32 ASP C C 32 177.731 175.895 1.836 1
1 338 . 8 1 1 A 33 33 HIS N N 33 121.984 121.831 0.153 1
1 339 . 8 1 1 A 33 33 HIS H H 33 8.728 8.345 0.383 1
1 340 . 8 1 1 A 33 33 HIS CA C 33 58.404 56.340 2.064 1
1 341 . 8 1 1 A 33 33 HIS HA H 33 4.218 4.602 -0.384 1
1 342 . 8 1 1 A 33 33 HIS CB C 33 30.594 29.174 1.420 1
1 349 . 8 1 1 A 33 33 HIS C C 33 176.844 175.721 1.123 1
1 350 . 8 1 1 A 34 34 ILE N N 34 120.023 117.582 2.441 1
1 351 . 8 1 1 A 34 34 ILE H H 34 8.090 7.453 0.637 1
1 352 . 8 1 1 A 34 34 ILE CA C 34 63.382 62.437 0.945 1
1 353 . 8 1 1 A 34 34 ILE HA H 34 3.845 4.092 -0.247 1
1 354 . 8 1 1 A 34 34 ILE CB C 34 37.023 40.289 -3.266 1
1 367 . 8 1 1 A 34 34 ILE C C 34 177.464 177.307 0.157 1
1 368 . 8 1 1 A 35 35 ASN N N 35 115.543 117.294 -1.751 1
1 369 . 8 1 1 A 35 35 ASN H H 35 7.620 7.841 -0.221 1
1 370 . 8 1 1 A 35 35 ASN CA C 35 53.139 52.764 0.375 1
1 371 . 8 1 1 A 35 35 ASN HA H 35 4.587 4.778 -0.191 1
1 372 . 8 1 1 A 35 35 ASN CB C 35 38.909 38.641 0.268 1
1 378 . 8 1 1 A 35 35 ASN C C 35 173.887 174.020 -0.133 1
1 379 . 8 1 1 A 36 36 ARG N N 36 117.698 116.215 1.483 1
1 380 . 8 1 1 A 36 36 ARG H H 36 7.596 7.798 -0.202 1
1 381 . 8 1 1 A 36 36 ARG CA C 36 56.824 56.988 -0.164 1
1 382 . 8 1 1 A 36 36 ARG HA H 36 3.850 3.840 0.010 1
1 383 . 8 1 1 A 36 36 ARG CB C 36 26.161 27.659 -1.498 1
1 390 . 8 1 1 A 36 36 ARG C C 36 174.732 174.728 0.004 1
1 391 . 8 1 1 A 37 37 LYS N N 37 117.773 114.332 3.441 1
1 392 . 8 1 1 A 37 37 LYS H H 37 7.471 7.481 -0.010 1
1 393 . 8 1 1 A 37 37 LYS CA C 37 54.528 54.708 -0.180 1
1 394 . 8 1 1 A 37 37 LYS HA H 37 4.795 4.997 -0.202 1
1 395 . 8 1 1 A 37 37 LYS CB C 37 36.493 36.066 0.427 1
1 404 . 8 1 1 A 37 37 LYS C C 37 174.870 174.560 0.310 1
1 405 . 8 1 1 A 38 38 THR N N 38 114.635 110.207 4.428 1
1 406 . 8 1 1 A 38 38 THR H H 38 8.322 8.521 -0.199 1
1 407 . 8 1 1 A 38 38 THR CA C 38 60.506 59.661 0.845 1
1 408 . 8 1 1 A 38 38 THR HA H 38 5.390 5.402 -0.012 1
1 409 . 8 1 1 A 38 38 THR CB C 38 71.424 72.556 -1.132 1
1 415 . 8 1 1 A 38 38 THR C C 38 173.840 172.997 0.843 1
1 416 . 8 1 1 A 39 39 GLN N N 39 117.672 118.732 -1.060 1
1 417 . 8 1 1 A 39 39 GLN H H 39 9.335 8.271 1.064 1
1 418 . 8 1 1 A 39 39 GLN CA C 39 54.878 54.233 0.645 1
1 419 . 8 1 1 A 39 39 GLN HA H 39 4.899 4.798 0.101 1
1 420 . 8 1 1 A 39 39 GLN CB C 39 32.186 31.409 0.777 1
1 429 . 8 1 1 A 39 39 GLN C C 39 174.549 174.382 0.167 1
1 430 . 8 1 1 A 40 40 TYR N N 40 119.391 118.274 1.117 1
1 431 . 8 1 1 A 40 40 TYR H H 40 8.858 8.583 0.275 1
1 432 . 8 1 1 A 40 40 TYR CA C 40 60.804 60.181 0.623 1
1 433 . 8 1 1 A 40 40 TYR HA H 40 4.752 4.652 0.100 1
1 434 . 8 1 1 A 40 40 TYR CB C 40 39.167 39.941 -0.774 1
1 445 . 8 1 1 A 40 40 TYR C C 40 176.295 176.499 -0.204 1
1 446 . 8 1 1 A 41 41 GLU N N 41 119.491 118.295 1.196 1
1 447 . 8 1 1 A 41 41 GLU H H 41 8.079 8.033 0.046 1
1 448 . 8 1 1 A 41 41 GLU CA C 41 56.296 57.045 -0.749 1
1 449 . 8 1 1 A 41 41 GLU HA H 41 4.351 4.278 0.073 1
1 450 . 8 1 1 A 41 41 GLU CB C 41 30.517 30.040 0.477 1
1 456 . 8 1 1 A 41 41 GLU C C 41 175.460 176.481 -1.021 1
1 457 . 8 1 1 A 42 42 ASN N N 42 125.050 125.323 -0.273 1
1 458 . 8 1 1 A 42 42 ASN H H 42 8.720 8.798 -0.078 1
1 459 . 8 1 1 A 42 42 ASN CA C 42 51.186 51.171 0.015 1
1 460 . 8 1 1 A 42 42 ASN HA H 42 2.979 4.694 -1.715 1
1 461 . 8 1 1 A 42 42 ASN CB C 42 38.637 39.281 -0.644 1
1 467 . 8 1 1 A 42 42 ASN C C 42 174.950 175.604 -0.654 1
1 468 . 8 1 1 A 43 43 PRO CA C 43 63.681 65.056 -1.375 1
1 469 . 8 1 1 A 43 43 PRO HA H 43 3.869 4.135 -0.266 1
1 470 . 8 1 1 A 43 43 PRO CB C 43 31.408 31.125 0.283 1
1 479 . 8 1 1 A 43 43 PRO C C 43 178.273 178.537 -0.264 1
1 480 . 8 1 1 A 44 44 VAL N N 44 119.901 115.616 4.285 1
1 481 . 8 1 1 A 44 44 VAL H H 44 7.968 7.166 0.802 1
1 482 . 8 1 1 A 44 44 VAL CA C 44 64.744 65.703 -0.959 1
1 483 . 8 1 1 A 44 44 VAL HA H 44 3.646 3.603 0.043 1
1 484 . 8 1 1 A 44 44 VAL CB C 44 31.581 31.346 0.235 1
1 494 . 8 1 1 A 44 44 VAL C C 44 177.625 178.082 -0.457 1
1 495 . 8 1 1 A 45 45 LEU N N 45 120.711 119.956 0.755 1
1 496 . 8 1 1 A 45 45 LEU H H 45 7.076 7.990 -0.914 1
1 497 . 8 1 1 A 45 45 LEU CA C 45 56.822 58.248 -1.426 1
1 498 . 8 1 1 A 45 45 LEU HA H 45 3.994 3.788 0.206 1
1 499 . 8 1 1 A 45 45 LEU CB C 45 41.194 41.619 -0.425 1
1 512 . 8 1 1 A 45 45 LEU C C 45 179.099 178.880 0.219 1
1 513 . 8 1 1 A 46 46 GLU N N 46 120.581 118.209 2.372 1
1 514 . 8 1 1 A 46 46 GLU H H 46 8.001 7.781 0.220 1
1 515 . 8 1 1 A 46 46 GLU CA C 46 58.462 59.621 -1.159 1
1 516 . 8 1 1 A 46 46 GLU HA H 46 3.961 4.021 -0.060 1
1 517 . 8 1 1 A 46 46 GLU CB C 46 29.956 29.403 0.553 1
1 523 . 8 1 1 A 46 46 GLU C C 46 177.685 178.570 -0.885 1
1 524 . 8 1 1 A 47 47 ALA N N 47 121.265 121.020 0.245 1
1 525 . 8 1 1 A 47 47 ALA H H 47 7.625 7.860 -0.235 1
1 526 . 8 1 1 A 47 47 ALA CA C 47 54.438 55.023 -0.585 1
1 527 . 8 1 1 A 47 47 ALA HA H 47 4.082 4.107 -0.025 1
1 528 . 8 1 1 A 47 47 ALA CB C 47 18.192 18.620 -0.428 1
1 532 . 8 1 1 A 47 47 ALA C C 47 179.879 179.689 0.190 1
1 533 . 8 1 1 A 48 48 LYS N N 48 118.414 116.805 1.609 1
1 534 . 8 1 1 A 48 48 LYS H H 48 7.776 8.110 -0.334 1
1 535 . 8 1 1 A 48 48 LYS CA C 48 58.491 58.675 -0.184 1
1 536 . 8 1 1 A 48 48 LYS HA H 48 4.063 4.106 -0.043 1
1 537 . 8 1 1 A 48 48 LYS CB C 48 32.565 31.354 1.211 1
1 547 . 8 1 1 A 48 48 LYS C C 48 178.235 178.323 -0.088 1
1 548 . 8 1 1 A 49 49 ARG N N 49 120.324 119.742 0.582 1
1 549 . 8 1 1 A 49 49 ARG H H 49 7.968 8.077 -0.109 1
1 550 . 8 1 1 A 49 49 ARG CA C 49 58.156 58.447 -0.291 1
1 551 . 8 1 1 A 49 49 ARG HA H 49 4.140 4.294 -0.154 1
1 552 . 8 1 1 A 49 49 ARG CB C 49 30.349 30.356 -0.007 1
1 561 . 8 1 1 A 49 49 ARG C C 49 177.985 178.133 -0.148 1
1 562 . 8 1 1 A 50 50 LYS N N 50 120.001 118.157 1.844 1
1 563 . 8 1 1 A 50 50 LYS H H 50 8.051 8.385 -0.334 1
1 564 . 8 1 1 A 50 50 LYS CA C 50 58.185 58.465 -0.280 1
1 565 . 8 1 1 A 50 50 LYS HA H 50 4.099 4.163 -0.064 1
1 566 . 8 1 1 A 50 50 LYS CB C 50 32.645 32.636 0.009 1
1 575 . 8 1 1 A 50 50 LYS C C 50 177.791 179.048 -1.257 1
1 576 . 8 1 1 A 51 51 LYS N N 51 120.458 120.010 0.448 1
1 577 . 8 1 1 A 51 51 LYS H H 51 7.915 8.188 -0.273 1
1 578 . 8 1 1 A 51 51 LYS CA C 51 57.452 59.194 -1.742 1
1 579 . 8 1 1 A 51 51 LYS HA H 51 4.189 4.105 0.084 1
1 580 . 8 1 1 A 51 51 LYS CB C 51 32.620 32.350 0.270 1
1 590 . 8 1 1 A 51 51 LYS C C 51 177.670 179.269 -1.599 1
1 591 . 8 1 1 A 52 52 GLN N N 52 119.883 117.032 2.851 1
1 592 . 8 1 1 A 52 52 GLN H H 52 8.060 8.164 -0.104 1
1 593 . 8 1 1 A 52 52 GLN CA C 52 56.866 58.241 -1.375 1
1 594 . 8 1 1 A 52 52 GLN HA H 52 4.213 4.130 0.083 1
1 595 . 8 1 1 A 52 52 GLN CB C 52 28.969 27.533 1.436 1
1 604 . 8 1 1 A 52 52 GLN C C 52 176.851 176.185 0.666 1
1 605 . 8 1 1 A 53 53 LEU N N 53 121.489 121.382 0.107 1
1 606 . 8 1 1 A 53 53 LEU H H 53 8.027 7.665 0.362 1
1 607 . 8 1 1 A 53 53 LEU CA C 53 55.826 53.400 2.426 1
1 608 . 8 1 1 A 53 53 LEU HA H 53 4.288 4.737 -0.449 1
1 609 . 8 1 1 A 53 53 LEU CB C 53 42.379 43.339 -0.960 1
1 622 . 8 1 1 A 53 53 LEU C C 53 177.973 175.777 2.196 1
1 623 . 8 1 1 A 54 54 GLU N N 54 120.395 119.978 0.417 1
1 624 . 8 1 1 A 54 54 GLU H H 54 8.141 8.603 -0.462 1
1 625 . 8 1 1 A 54 54 GLU CA C 54 56.906 55.276 1.630 1
1 626 . 8 1 1 A 54 54 GLU HA H 54 4.291 4.842 -0.551 1
1 627 . 8 1 1 A 54 54 GLU CB C 54 30.228 31.476 -1.248 1
1 633 . 8 1 1 A 54 54 GLU C C 54 176.762 175.149 1.613 1
1 634 . 8 1 1 A 55 55 SER N N 55 115.834 120.679 -4.845 1
1 635 . 8 1 1 A 55 55 SER H H 55 8.178 8.715 -0.537 1
1 636 . 8 1 1 A 55 55 SER CA C 55 58.606 57.171 1.435 1
1 637 . 8 1 1 A 55 55 SER HA H 55 4.492 4.743 -0.251 1
1 638 . 8 1 1 A 55 55 SER CB C 55 63.869 63.467 0.402 1
1 641 . 8 1 1 A 55 55 SER C C 55 174.614 173.806 0.808 1
1 642 . 8 1 1 A 56 56 GLY N N 56 110.601 113.972 -3.371 1
1 643 . 8 1 1 A 56 56 GLY H H 56 8.163 8.339 -0.176 1
1 644 . 8 1 1 A 56 56 GLY CA C 56 44.731 45.264 -0.533 1
1 645 . 8 1 1 A 56 56 GLY HA2 H 56 4.098 4.183 -0.085 1
1 646 . 8 1 1 A 56 56 GLY HA3 H 56 4.167 4.184 -0.017 1
1 647 . 8 1 1 A 56 56 GLY C C 56 171.805 174.078 -2.273 1
1 648 . 8 1 1 A 57 57 PRO CA C 57 63.271 64.634 -1.363 1
1 649 . 8 1 1 A 57 57 PRO HA H 57 4.475 4.401 0.074 1
1 650 . 8 1 1 A 57 57 PRO CB C 57 32.133 32.076 0.057 1
1 659 . 8 1 1 A 57 57 PRO C C 57 177.422 176.681 0.741 1
1 660 . 8 1 1 A 58 58 SER N N 58 116.422 112.974 3.448 1
1 661 . 8 1 1 A 58 58 SER H H 58 8.524 7.624 0.900 1
1 662 . 8 1 1 A 58 58 SER CA C 58 58.457 57.200 1.257 1
1 663 . 8 1 1 A 58 58 SER HA H 58 4.494 4.566 -0.072 1
1 664 . 8 1 1 A 58 58 SER CB C 58 63.945 63.886 0.059 1
1 667 . 8 1 1 A 58 58 SER C C 58 174.720 173.554 1.166 1
1 668 . 8 1 1 A 59 59 SER N N 59 117.951 124.266 -6.315 1
1 669 . 8 1 1 A 59 59 SER H H 59 8.342 8.802 -0.460 1
1 670 . 8 1 1 A 59 59 SER CA C 59 58.327 58.173 0.154 1
1 671 . 8 1 1 A 59 59 SER HA H 59 4.491 4.700 -0.209 1
1 672 . 8 1 1 A 59 59 SER CB C 59 63.965 64.867 -0.902 1
1 675 . 8 1 1 A 59 59 SER C C 59 173.967 175.543 -1.576 1
1 1 . 9 1 1 A 5 5 SER N N 5 115.829 120.227 -4.398 1
1 2 . 9 1 1 A 5 5 SER CA C 5 58.317 58.366 -0.049 1
1 3 . 9 1 1 A 5 5 SER CB C 5 63.703 63.730 -0.027 1
1 4 . 9 1 1 A 5 5 SER C C 5 174.849 174.546 0.303 1
1 5 . 9 1 1 A 6 6 SER N N 6 117.994 121.581 -3.587 1
1 6 . 9 1 1 A 6 6 SER CA C 6 58.677 60.127 -1.450 1
1 7 . 9 1 1 A 6 6 SER HA H 6 4.501 4.523 -0.022 1
1 8 . 9 1 1 A 6 6 SER CB C 6 63.732 63.697 0.035 1
1 10 . 9 1 1 A 6 6 SER C C 6 175.043 174.974 0.069 1
1 11 . 9 1 1 A 7 7 GLY N N 7 110.716 112.066 -1.350 1
1 12 . 9 1 1 A 7 7 GLY H H 7 8.429 8.495 -0.066 1
1 13 . 9 1 1 A 7 7 GLY CA C 7 45.403 45.564 -0.161 1
1 14 . 9 1 1 A 7 7 GLY HA2 H 7 3.976 4.031 -0.055 1
1 15 . 9 1 1 A 7 7 GLY HA3 H 7 3.976 4.036 -0.060 1
1 16 . 9 1 1 A 7 7 GLY C C 7 174.231 174.973 -0.742 1
1 17 . 9 1 1 A 8 8 LEU N N 8 121.547 118.366 3.181 1
1 18 . 9 1 1 A 8 8 LEU H H 8 8.132 8.483 -0.351 1
1 19 . 9 1 1 A 8 8 LEU CA C 8 55.233 55.287 -0.054 1
1 20 . 9 1 1 A 8 8 LEU HA H 8 4.356 4.613 -0.257 1
1 21 . 9 1 1 A 8 8 LEU CB C 8 42.416 43.477 -1.061 1
1 31 . 9 1 1 A 8 8 LEU C C 8 177.479 176.971 0.508 1
1 32 . 9 1 1 A 9 9 ASP N N 9 120.983 121.677 -0.694 1
1 33 . 9 1 1 A 9 9 ASP H H 9 8.413 7.807 0.606 1
1 34 . 9 1 1 A 9 9 ASP CA C 9 54.826 55.196 -0.370 1
1 35 . 9 1 1 A 9 9 ASP HA H 9 4.555 4.561 -0.006 1
1 36 . 9 1 1 A 9 9 ASP CB C 9 40.967 41.152 -0.185 1
1 39 . 9 1 1 A 9 9 ASP C C 9 176.609 176.074 0.535 1
1 40 . 9 1 1 A 10 10 SER N N 10 115.538 117.089 -1.551 1
1 41 . 9 1 1 A 10 10 SER H H 10 8.146 8.352 -0.206 1
1 42 . 9 1 1 A 10 10 SER CA C 10 58.926 56.120 2.806 1
1 43 . 9 1 1 A 10 10 SER HA H 10 4.361 5.168 -0.807 1
1 44 . 9 1 1 A 10 10 SER CB C 10 63.924 67.020 -3.096 1
1 47 . 9 1 1 A 10 10 SER C C 10 174.922 175.834 -0.912 1
1 48 . 9 1 1 A 11 11 GLU N N 11 122.324 120.102 2.222 1
1 49 . 9 1 1 A 11 11 GLU H H 11 8.416 9.062 -0.646 1
1 50 . 9 1 1 A 11 11 GLU CA C 11 56.763 59.074 -2.311 1
1 51 . 9 1 1 A 11 11 GLU HA H 11 4.262 3.845 0.417 1
1 52 . 9 1 1 A 11 11 GLU CB C 11 29.860 29.271 0.589 1
1 58 . 9 1 1 A 11 11 GLU C C 11 176.347 176.807 -0.460 1
1 59 . 9 1 1 A 12 12 LEU N N 12 121.580 117.069 4.511 1
1 60 . 9 1 1 A 12 12 LEU H H 12 7.957 8.037 -0.080 1
1 61 . 9 1 1 A 12 12 LEU CA C 12 54.921 56.316 -1.395 1
1 62 . 9 1 1 A 12 12 LEU HA H 12 4.311 3.899 0.412 1
1 63 . 9 1 1 A 12 12 LEU CB C 12 42.313 40.513 1.800 1
1 76 . 9 1 1 A 12 12 LEU C C 12 176.945 175.937 1.008 1
1 77 . 9 1 1 A 13 13 GLU N N 13 122.146 110.064 12.082 1
1 78 . 9 1 1 A 13 13 GLU H H 13 8.088 8.462 -0.374 1
1 79 . 9 1 1 A 13 13 GLU CA C 13 56.222 57.119 -0.897 1
1 80 . 9 1 1 A 13 13 GLU HA H 13 4.236 3.777 0.459 1
1 81 . 9 1 1 A 13 13 GLU CB C 13 30.332 27.473 2.859 1
1 86 . 9 1 1 A 13 13 GLU C C 13 175.667 175.881 -0.214 1
1 87 . 9 1 1 A 14 14 LEU N N 14 123.302 120.318 2.984 1
1 88 . 9 1 1 A 14 14 LEU H H 14 8.331 7.831 0.500 1
1 89 . 9 1 1 A 14 14 LEU CA C 14 52.689 53.755 -1.066 1
1 90 . 9 1 1 A 14 14 LEU HA H 14 4.376 4.076 0.300 1
1 91 . 9 1 1 A 14 14 LEU CB C 14 41.859 41.403 0.456 1
1 104 . 9 1 1 A 14 14 LEU C C 14 174.694 177.351 -2.657 1
1 105 . 9 1 1 A 15 15 PRO CA C 15 61.808 65.902 -4.094 1
1 106 . 9 1 1 A 15 15 PRO HA H 15 4.509 4.423 0.086 1
1 107 . 9 1 1 A 15 15 PRO CB C 15 31.501 31.541 -0.040 1
1 116 . 9 1 1 A 15 15 PRO C C 15 175.733 176.514 -0.781 1
1 117 . 9 1 1 A 16 16 ALA N N 16 123.226 117.063 6.163 1
1 118 . 9 1 1 A 16 16 ALA H H 16 8.427 8.042 0.385 1
1 119 . 9 1 1 A 16 16 ALA CA C 16 53.836 51.498 2.338 1
1 120 . 9 1 1 A 16 16 ALA HA H 16 4.235 4.802 -0.567 1
1 121 . 9 1 1 A 16 16 ALA CB C 16 18.391 22.776 -4.385 1
1 125 . 9 1 1 A 16 16 ALA C C 16 178.641 177.111 1.530 1
1 126 . 9 1 1 A 17 17 GLY N N 17 110.263 110.031 0.232 1
1 127 . 9 1 1 A 17 17 GLY H H 17 8.816 8.757 0.059 1
1 128 . 9 1 1 A 17 17 GLY CA C 17 45.465 46.136 -0.671 1
1 129 . 9 1 1 A 17 17 GLY HA2 H 17 3.759 3.776 -0.017 1
1 130 . 9 1 1 A 17 17 GLY HA3 H 17 4.261 3.904 0.357 1
1 131 . 9 1 1 A 17 17 GLY C C 17 173.251 173.658 -0.407 1
1 132 . 9 1 1 A 18 18 TRP N N 18 118.263 119.271 -1.008 1
1 133 . 9 1 1 A 18 18 TRP H H 18 7.782 7.953 -0.171 1
1 134 . 9 1 1 A 18 18 TRP CA C 18 56.679 56.007 0.672 1
1 135 . 9 1 1 A 18 18 TRP HA H 18 5.840 5.167 0.673 1
1 136 . 9 1 1 A 18 18 TRP CB C 18 32.215 32.969 -0.754 1
1 151 . 9 1 1 A 18 18 TRP C C 18 177.038 175.042 1.996 1
1 152 . 9 1 1 A 19 19 GLU N N 19 122.023 123.390 -1.367 1
1 153 . 9 1 1 A 19 19 GLU H H 19 9.480 8.636 0.844 1
1 154 . 9 1 1 A 19 19 GLU CA C 19 55.126 55.207 -0.081 1
1 155 . 9 1 1 A 19 19 GLU HA H 19 4.679 5.103 -0.424 1
1 156 . 9 1 1 A 19 19 GLU CB C 19 34.865 33.345 1.520 1
1 162 . 9 1 1 A 19 19 GLU C C 19 173.752 175.146 -1.394 1
1 163 . 9 1 1 A 20 20 LYS N N 20 127.008 128.097 -1.089 1
1 164 . 9 1 1 A 20 20 LYS H H 20 8.848 8.629 0.219 1
1 165 . 9 1 1 A 20 20 LYS CA C 20 55.531 56.606 -1.075 1
1 166 . 9 1 1 A 20 20 LYS HA H 20 4.379 4.765 -0.386 1
1 167 . 9 1 1 A 20 20 LYS CB C 20 33.946 32.897 1.049 1
1 178 . 9 1 1 A 20 20 LYS C C 20 174.530 175.031 -0.501 1
1 179 . 9 1 1 A 21 21 ILE N N 21 130.740 129.285 1.455 1
1 180 . 9 1 1 A 21 21 ILE H H 21 8.894 8.990 -0.096 1
1 181 . 9 1 1 A 21 21 ILE CA C 21 58.996 60.065 -1.069 1
1 182 . 9 1 1 A 21 21 ILE HA H 21 4.035 4.494 -0.459 1
1 183 . 9 1 1 A 21 21 ILE CB C 21 38.249 38.117 0.132 1
1 196 . 9 1 1 A 21 21 ILE C C 21 173.612 174.465 -0.853 1
1 197 . 9 1 1 A 22 22 GLU N N 22 124.546 127.634 -3.088 1
1 198 . 9 1 1 A 22 22 GLU H H 22 8.273 8.830 -0.557 1
1 199 . 9 1 1 A 22 22 GLU CA C 22 54.652 55.215 -0.563 1
1 200 . 9 1 1 A 22 22 GLU HA H 22 4.429 4.727 -0.298 1
1 201 . 9 1 1 A 22 22 GLU CB C 22 29.876 31.029 -1.153 1
1 207 . 9 1 1 A 22 22 GLU C C 22 174.548 175.263 -0.715 1
1 208 . 9 1 1 A 23 23 ASP N N 23 128.325 126.179 2.146 1
1 209 . 9 1 1 A 23 23 ASP H H 23 8.368 8.558 -0.190 1
1 210 . 9 1 1 A 23 23 ASP CA C 23 51.555 50.574 0.981 1
1 211 . 9 1 1 A 23 23 ASP HA H 23 5.093 5.211 -0.118 1
1 212 . 9 1 1 A 23 23 ASP CB C 23 45.902 42.550 3.352 1
1 215 . 9 1 1 A 23 23 ASP C C 23 175.729 176.192 -0.463 1
1 216 . 9 1 1 A 24 24 PRO CA C 24 64.824 64.790 0.034 1
1 217 . 9 1 1 A 24 24 PRO HA H 24 4.356 4.466 -0.110 1
1 218 . 9 1 1 A 24 24 PRO CB C 24 32.297 32.221 0.076 1
1 227 . 9 1 1 A 24 24 PRO C C 24 176.540 177.801 -1.261 1
1 228 . 9 1 1 A 25 25 VAL N N 25 118.640 116.319 2.321 1
1 229 . 9 1 1 A 25 25 VAL H H 25 8.485 7.815 0.670 1
1 230 . 9 1 1 A 25 25 VAL CA C 25 64.125 64.134 -0.009 1
1 231 . 9 1 1 A 25 25 VAL HA H 25 3.856 3.940 -0.084 1
1 232 . 9 1 1 A 25 25 VAL CB C 25 33.098 32.514 0.584 1
1 242 . 9 1 1 A 25 25 VAL C C 25 177.626 177.414 0.212 1
1 243 . 9 1 1 A 26 26 TYR N N 26 117.602 117.133 0.469 1
1 244 . 9 1 1 A 26 26 TYR H H 26 8.632 8.297 0.335 1
1 245 . 9 1 1 A 26 26 TYR CA C 26 59.189 59.659 -0.470 1
1 246 . 9 1 1 A 26 26 TYR HA H 26 4.469 4.500 -0.031 1
1 247 . 9 1 1 A 26 26 TYR CB C 26 39.193 38.834 0.359 1
1 258 . 9 1 1 A 26 26 TYR C C 26 176.124 176.592 -0.468 1
1 259 . 9 1 1 A 27 27 GLY N N 27 110.042 106.620 3.422 1
1 260 . 9 1 1 A 27 27 GLY H H 27 8.181 7.916 0.265 1
1 261 . 9 1 1 A 27 27 GLY CA C 27 44.979 44.583 0.396 1
1 262 . 9 1 1 A 27 27 GLY HA2 H 27 3.890 4.174 -0.284 1
1 263 . 9 1 1 A 27 27 GLY HA3 H 27 4.390 4.231 0.159 1
1 264 . 9 1 1 A 27 27 GLY C C 27 173.043 173.620 -0.577 1
1 265 . 9 1 1 A 28 28 ILE N N 28 121.278 121.240 0.038 1
1 266 . 9 1 1 A 28 28 ILE H H 28 8.259 8.419 -0.160 1
1 267 . 9 1 1 A 28 28 ILE CA C 28 60.867 61.540 -0.673 1
1 268 . 9 1 1 A 28 28 ILE HA H 28 4.900 4.758 0.142 1
1 269 . 9 1 1 A 28 28 ILE CB C 28 38.763 37.578 1.185 1
1 282 . 9 1 1 A 28 28 ILE C C 28 176.805 175.305 1.500 1
1 283 . 9 1 1 A 29 29 TYR N N 29 124.534 123.999 0.535 1
1 284 . 9 1 1 A 29 29 TYR H H 29 8.822 8.818 0.004 1
1 285 . 9 1 1 A 29 29 TYR CA C 29 56.332 55.471 0.861 1
1 286 . 9 1 1 A 29 29 TYR HA H 29 4.712 5.258 -0.546 1
1 287 . 9 1 1 A 29 29 TYR CB C 29 38.879 41.847 -2.968 1
1 298 . 9 1 1 A 29 29 TYR C C 29 170.710 172.255 -1.545 1
1 299 . 9 1 1 A 30 30 TYR N N 30 116.432 120.879 -4.447 1
1 300 . 9 1 1 A 30 30 TYR H H 30 8.981 8.979 0.002 1
1 301 . 9 1 1 A 30 30 TYR CA C 30 56.921 57.576 -0.655 1
1 302 . 9 1 1 A 30 30 TYR HA H 30 5.417 5.404 0.013 1
1 303 . 9 1 1 A 30 30 TYR CB C 30 41.603 40.027 1.576 1
1 314 . 9 1 1 A 30 30 TYR C C 30 174.825 175.127 -0.302 1
1 315 . 9 1 1 A 31 31 VAL N N 31 121.385 124.184 -2.799 1
1 316 . 9 1 1 A 31 31 VAL H H 31 9.266 8.997 0.269 1
1 317 . 9 1 1 A 31 31 VAL CA C 31 60.346 59.763 0.583 1
1 318 . 9 1 1 A 31 31 VAL HA H 31 4.610 4.845 -0.235 1
1 319 . 9 1 1 A 31 31 VAL CB C 31 35.393 34.036 1.357 1
1 329 . 9 1 1 A 31 31 VAL C C 31 173.103 173.639 -0.536 1
1 330 . 9 1 1 A 32 32 ASP N N 32 126.129 127.295 -1.166 1
1 331 . 9 1 1 A 32 32 ASP H H 32 8.340 9.092 -0.752 1
1 332 . 9 1 1 A 32 32 ASP CA C 32 51.134 53.489 -2.355 1
1 333 . 9 1 1 A 32 32 ASP HA H 32 3.702 4.505 -0.803 1
1 334 . 9 1 1 A 32 32 ASP CB C 32 39.252 41.137 -1.885 1
1 337 . 9 1 1 A 32 32 ASP C C 32 177.731 175.724 2.007 1
1 338 . 9 1 1 A 33 33 HIS N N 33 121.984 122.360 -0.376 1
1 339 . 9 1 1 A 33 33 HIS H H 33 8.728 7.724 1.004 1
1 340 . 9 1 1 A 33 33 HIS CA C 33 58.404 56.586 1.818 1
1 341 . 9 1 1 A 33 33 HIS HA H 33 4.218 4.541 -0.323 1
1 342 . 9 1 1 A 33 33 HIS CB C 33 30.594 29.019 1.575 1
1 349 . 9 1 1 A 33 33 HIS C C 33 176.844 175.851 0.993 1
1 350 . 9 1 1 A 34 34 ILE N N 34 120.023 117.489 2.534 1
1 351 . 9 1 1 A 34 34 ILE H H 34 8.090 7.490 0.600 1
1 352 . 9 1 1 A 34 34 ILE CA C 34 63.382 62.111 1.271 1
1 353 . 9 1 1 A 34 34 ILE HA H 34 3.845 4.025 -0.180 1
1 354 . 9 1 1 A 34 34 ILE CB C 34 37.023 39.569 -2.546 1
1 367 . 9 1 1 A 34 34 ILE C C 34 177.464 177.148 0.316 1
1 368 . 9 1 1 A 35 35 ASN N N 35 115.543 117.585 -2.042 1
1 369 . 9 1 1 A 35 35 ASN H H 35 7.620 7.581 0.039 1
1 370 . 9 1 1 A 35 35 ASN CA C 35 53.139 52.812 0.327 1
1 371 . 9 1 1 A 35 35 ASN HA H 35 4.587 4.878 -0.291 1
1 372 . 9 1 1 A 35 35 ASN CB C 35 38.909 38.597 0.312 1
1 378 . 9 1 1 A 35 35 ASN C C 35 173.887 174.069 -0.182 1
1 379 . 9 1 1 A 36 36 ARG N N 36 117.698 115.934 1.764 1
1 380 . 9 1 1 A 36 36 ARG H H 36 7.596 7.817 -0.221 1
1 381 . 9 1 1 A 36 36 ARG CA C 36 56.824 56.935 -0.111 1
1 382 . 9 1 1 A 36 36 ARG HA H 36 3.850 3.808 0.042 1
1 383 . 9 1 1 A 36 36 ARG CB C 36 26.161 27.793 -1.632 1
1 390 . 9 1 1 A 36 36 ARG C C 36 174.732 174.647 0.085 1
1 391 . 9 1 1 A 37 37 LYS N N 37 117.773 114.518 3.255 1
1 392 . 9 1 1 A 37 37 LYS H H 37 7.471 7.047 0.424 1
1 393 . 9 1 1 A 37 37 LYS CA C 37 54.528 54.510 0.018 1
1 394 . 9 1 1 A 37 37 LYS HA H 37 4.795 4.962 -0.167 1
1 395 . 9 1 1 A 37 37 LYS CB C 37 36.493 36.631 -0.138 1
1 404 . 9 1 1 A 37 37 LYS C C 37 174.870 174.781 0.089 1
1 405 . 9 1 1 A 38 38 THR N N 38 114.635 112.202 2.433 1
1 406 . 9 1 1 A 38 38 THR H H 38 8.322 8.676 -0.354 1
1 407 . 9 1 1 A 38 38 THR CA C 38 60.506 60.552 -0.046 1
1 408 . 9 1 1 A 38 38 THR HA H 38 5.390 5.227 0.163 1
1 409 . 9 1 1 A 38 38 THR CB C 38 71.424 71.216 0.208 1
1 415 . 9 1 1 A 38 38 THR C C 38 173.840 173.626 0.214 1
1 416 . 9 1 1 A 39 39 GLN N N 39 117.672 123.218 -5.546 1
1 417 . 9 1 1 A 39 39 GLN H H 39 9.335 8.313 1.022 1
1 418 . 9 1 1 A 39 39 GLN CA C 39 54.878 53.845 1.033 1
1 419 . 9 1 1 A 39 39 GLN HA H 39 4.899 4.896 0.003 1
1 420 . 9 1 1 A 39 39 GLN CB C 39 32.186 31.849 0.337 1
1 429 . 9 1 1 A 39 39 GLN C C 39 174.549 175.670 -1.121 1
1 430 . 9 1 1 A 40 40 TYR N N 40 119.391 119.726 -0.335 1
1 431 . 9 1 1 A 40 40 TYR H H 40 8.858 8.795 0.063 1
1 432 . 9 1 1 A 40 40 TYR CA C 40 60.804 60.235 0.569 1
1 433 . 9 1 1 A 40 40 TYR HA H 40 4.752 4.582 0.170 1
1 434 . 9 1 1 A 40 40 TYR CB C 40 39.167 39.613 -0.446 1
1 445 . 9 1 1 A 40 40 TYR C C 40 176.295 176.584 -0.289 1
1 446 . 9 1 1 A 41 41 GLU N N 41 119.491 118.489 1.002 1
1 447 . 9 1 1 A 41 41 GLU H H 41 8.079 7.991 0.088 1
1 448 . 9 1 1 A 41 41 GLU CA C 41 56.296 57.011 -0.715 1
1 449 . 9 1 1 A 41 41 GLU HA H 41 4.351 4.283 0.068 1
1 450 . 9 1 1 A 41 41 GLU CB C 41 30.517 29.980 0.537 1
1 456 . 9 1 1 A 41 41 GLU C C 41 175.460 176.443 -0.983 1
1 457 . 9 1 1 A 42 42 ASN N N 42 125.050 125.005 0.045 1
1 458 . 9 1 1 A 42 42 ASN H H 42 8.720 8.841 -0.121 1
1 459 . 9 1 1 A 42 42 ASN CA C 42 51.186 51.147 0.039 1
1 460 . 9 1 1 A 42 42 ASN HA H 42 2.979 4.698 -1.719 1
1 461 . 9 1 1 A 42 42 ASN CB C 42 38.637 39.179 -0.542 1
1 467 . 9 1 1 A 42 42 ASN C C 42 174.950 175.486 -0.536 1
1 468 . 9 1 1 A 43 43 PRO CA C 43 63.681 65.171 -1.490 1
1 469 . 9 1 1 A 43 43 PRO HA H 43 3.869 4.154 -0.285 1
1 470 . 9 1 1 A 43 43 PRO CB C 43 31.408 31.111 0.297 1
1 479 . 9 1 1 A 43 43 PRO C C 43 178.273 178.605 -0.332 1
1 480 . 9 1 1 A 44 44 VAL N N 44 119.901 115.387 4.514 1
1 481 . 9 1 1 A 44 44 VAL H H 44 7.968 7.258 0.710 1
1 482 . 9 1 1 A 44 44 VAL CA C 44 64.744 65.714 -0.970 1
1 483 . 9 1 1 A 44 44 VAL HA H 44 3.646 3.549 0.097 1
1 484 . 9 1 1 A 44 44 VAL CB C 44 31.581 31.375 0.206 1
1 494 . 9 1 1 A 44 44 VAL C C 44 177.625 178.243 -0.618 1
1 495 . 9 1 1 A 45 45 LEU N N 45 120.711 119.406 1.305 1
1 496 . 9 1 1 A 45 45 LEU H H 45 7.076 7.959 -0.883 1
1 497 . 9 1 1 A 45 45 LEU CA C 45 56.822 58.160 -1.338 1
1 498 . 9 1 1 A 45 45 LEU HA H 45 3.994 3.866 0.128 1
1 499 . 9 1 1 A 45 45 LEU CB C 45 41.194 41.087 0.107 1
1 512 . 9 1 1 A 45 45 LEU C C 45 179.099 178.870 0.229 1
1 513 . 9 1 1 A 46 46 GLU N N 46 120.581 119.698 0.883 1
1 514 . 9 1 1 A 46 46 GLU H H 46 8.001 7.914 0.087 1
1 515 . 9 1 1 A 46 46 GLU CA C 46 58.462 59.434 -0.972 1
1 516 . 9 1 1 A 46 46 GLU HA H 46 3.961 3.940 0.021 1
1 517 . 9 1 1 A 46 46 GLU CB C 46 29.956 29.124 0.832 1
1 523 . 9 1 1 A 46 46 GLU C C 46 177.685 178.362 -0.677 1
1 524 . 9 1 1 A 47 47 ALA N N 47 121.265 121.181 0.084 1
1 525 . 9 1 1 A 47 47 ALA H H 47 7.625 8.060 -0.435 1
1 526 . 9 1 1 A 47 47 ALA CA C 47 54.438 54.982 -0.544 1
1 527 . 9 1 1 A 47 47 ALA HA H 47 4.082 4.123 -0.041 1
1 528 . 9 1 1 A 47 47 ALA CB C 47 18.192 18.544 -0.352 1
1 532 . 9 1 1 A 47 47 ALA C C 47 179.879 179.684 0.195 1
1 533 . 9 1 1 A 48 48 LYS N N 48 118.414 116.581 1.833 1
1 534 . 9 1 1 A 48 48 LYS H H 48 7.776 7.982 -0.206 1
1 535 . 9 1 1 A 48 48 LYS CA C 48 58.491 58.408 0.083 1
1 536 . 9 1 1 A 48 48 LYS HA H 48 4.063 4.107 -0.044 1
1 537 . 9 1 1 A 48 48 LYS CB C 48 32.565 31.290 1.275 1
1 547 . 9 1 1 A 48 48 LYS C C 48 178.235 178.299 -0.064 1
1 548 . 9 1 1 A 49 49 ARG N N 49 120.324 119.611 0.713 1
1 549 . 9 1 1 A 49 49 ARG H H 49 7.968 8.115 -0.147 1
1 550 . 9 1 1 A 49 49 ARG CA C 49 58.156 58.403 -0.247 1
1 551 . 9 1 1 A 49 49 ARG HA H 49 4.140 4.156 -0.016 1
1 552 . 9 1 1 A 49 49 ARG CB C 49 30.349 30.356 -0.007 1
1 561 . 9 1 1 A 49 49 ARG C C 49 177.985 177.895 0.090 1
1 562 . 9 1 1 A 50 50 LYS N N 50 120.001 117.380 2.621 1
1 563 . 9 1 1 A 50 50 LYS H H 50 8.051 8.159 -0.108 1
1 564 . 9 1 1 A 50 50 LYS CA C 50 58.185 58.229 -0.044 1
1 565 . 9 1 1 A 50 50 LYS HA H 50 4.099 4.219 -0.120 1
1 566 . 9 1 1 A 50 50 LYS CB C 50 32.645 32.749 -0.104 1
1 575 . 9 1 1 A 50 50 LYS C C 50 177.791 178.366 -0.575 1
1 576 . 9 1 1 A 51 51 LYS N N 51 120.458 119.690 0.768 1
1 577 . 9 1 1 A 51 51 LYS H H 51 7.915 7.896 0.019 1
1 578 . 9 1 1 A 51 51 LYS CA C 51 57.452 58.624 -1.172 1
1 579 . 9 1 1 A 51 51 LYS HA H 51 4.189 4.234 -0.045 1
1 580 . 9 1 1 A 51 51 LYS CB C 51 32.620 32.886 -0.266 1
1 590 . 9 1 1 A 51 51 LYS C C 51 177.670 179.061 -1.391 1
1 591 . 9 1 1 A 52 52 GLN N N 52 119.883 119.050 0.833 1
1 592 . 9 1 1 A 52 52 GLN H H 52 8.060 8.081 -0.021 1
1 593 . 9 1 1 A 52 52 GLN CA C 52 56.866 58.650 -1.784 1
1 594 . 9 1 1 A 52 52 GLN HA H 52 4.213 4.104 0.109 1
1 595 . 9 1 1 A 52 52 GLN CB C 52 28.969 28.330 0.639 1
1 604 . 9 1 1 A 52 52 GLN C C 52 176.851 177.178 -0.327 1
1 605 . 9 1 1 A 53 53 LEU N N 53 121.489 121.248 0.241 1
1 606 . 9 1 1 A 53 53 LEU H H 53 8.027 7.653 0.374 1
1 607 . 9 1 1 A 53 53 LEU CA C 53 55.826 55.010 0.816 1
1 608 . 9 1 1 A 53 53 LEU HA H 53 4.288 4.282 0.006 1
1 609 . 9 1 1 A 53 53 LEU CB C 53 42.379 41.386 0.993 1
1 622 . 9 1 1 A 53 53 LEU C C 53 177.973 177.293 0.680 1
1 623 . 9 1 1 A 54 54 GLU N N 54 120.395 121.440 -1.045 1
1 624 . 9 1 1 A 54 54 GLU H H 54 8.141 8.743 -0.602 1
1 625 . 9 1 1 A 54 54 GLU CA C 54 56.906 56.224 0.682 1
1 626 . 9 1 1 A 54 54 GLU HA H 54 4.291 4.479 -0.188 1
1 627 . 9 1 1 A 54 54 GLU CB C 54 30.228 28.933 1.295 1
1 633 . 9 1 1 A 54 54 GLU C C 54 176.762 176.583 0.179 1
1 634 . 9 1 1 A 55 55 SER N N 55 115.834 117.278 -1.444 1
1 635 . 9 1 1 A 55 55 SER H H 55 8.178 7.650 0.528 1
1 636 . 9 1 1 A 55 55 SER CA C 55 58.606 59.661 -1.055 1
1 637 . 9 1 1 A 55 55 SER HA H 55 4.492 4.204 0.288 1
1 638 . 9 1 1 A 55 55 SER CB C 55 63.869 63.461 0.408 1
1 641 . 9 1 1 A 55 55 SER C C 55 174.614 174.847 -0.233 1
1 642 . 9 1 1 A 56 56 GLY N N 56 110.601 112.084 -1.483 1
1 643 . 9 1 1 A 56 56 GLY H H 56 8.163 8.264 -0.101 1
1 644 . 9 1 1 A 56 56 GLY CA C 56 44.731 45.281 -0.550 1
1 645 . 9 1 1 A 56 56 GLY HA2 H 56 4.098 4.192 -0.094 1
1 646 . 9 1 1 A 56 56 GLY HA3 H 56 4.167 4.193 -0.026 1
1 647 . 9 1 1 A 56 56 GLY C C 56 171.805 174.056 -2.251 1
1 648 . 9 1 1 A 57 57 PRO CA C 57 63.271 64.656 -1.385 1
1 649 . 9 1 1 A 57 57 PRO HA H 57 4.475 4.413 0.062 1
1 650 . 9 1 1 A 57 57 PRO CB C 57 32.133 32.184 -0.051 1
1 659 . 9 1 1 A 57 57 PRO C C 57 177.422 175.973 1.449 1
1 660 . 9 1 1 A 58 58 SER N N 58 116.422 108.941 7.481 1
1 661 . 9 1 1 A 58 58 SER H H 58 8.524 7.566 0.958 1
1 662 . 9 1 1 A 58 58 SER CA C 58 58.457 56.724 1.733 1
1 663 . 9 1 1 A 58 58 SER HA H 58 4.494 4.803 -0.309 1
1 664 . 9 1 1 A 58 58 SER CB C 58 63.945 65.930 -1.985 1
1 667 . 9 1 1 A 58 58 SER C C 58 174.720 172.846 1.874 1
1 668 . 9 1 1 A 59 59 SER N N 59 117.951 121.111 -3.160 1
1 669 . 9 1 1 A 59 59 SER H H 59 8.342 8.897 -0.555 1
1 670 . 9 1 1 A 59 59 SER CA C 59 58.327 58.325 0.002 1
1 671 . 9 1 1 A 59 59 SER HA H 59 4.491 4.765 -0.274 1
1 672 . 9 1 1 A 59 59 SER CB C 59 63.965 63.426 0.539 1
1 675 . 9 1 1 A 59 59 SER C C 59 173.967 174.145 -0.178 1
1 1 . 10 1 1 A 5 5 SER N N 5 115.829 114.910 0.919 1
1 2 . 10 1 1 A 5 5 SER CA C 5 58.317 59.871 -1.554 1
1 3 . 10 1 1 A 5 5 SER CB C 5 63.703 65.188 -1.485 1
1 4 . 10 1 1 A 5 5 SER C C 5 174.849 174.470 0.379 1
1 5 . 10 1 1 A 6 6 SER N N 6 117.994 114.932 3.062 1
1 6 . 10 1 1 A 6 6 SER CA C 6 58.677 59.462 -0.785 1
1 7 . 10 1 1 A 6 6 SER HA H 6 4.501 4.263 0.238 1
1 8 . 10 1 1 A 6 6 SER CB C 6 63.732 61.270 2.462 1
1 10 . 10 1 1 A 6 6 SER C C 6 175.043 173.972 1.071 1
1 11 . 10 1 1 A 7 7 GLY N N 7 110.716 107.088 3.628 1
1 12 . 10 1 1 A 7 7 GLY H H 7 8.429 8.122 0.307 1
1 13 . 10 1 1 A 7 7 GLY CA C 7 45.403 45.974 -0.571 1
1 14 . 10 1 1 A 7 7 GLY HA2 H 7 3.976 4.034 -0.058 1
1 15 . 10 1 1 A 7 7 GLY HA3 H 7 3.976 4.057 -0.081 1
1 16 . 10 1 1 A 7 7 GLY C C 7 174.231 175.143 -0.912 1
1 17 . 10 1 1 A 8 8 LEU N N 8 121.547 122.066 -0.519 1
1 18 . 10 1 1 A 8 8 LEU H H 8 8.132 8.296 -0.164 1
1 19 . 10 1 1 A 8 8 LEU CA C 8 55.233 58.100 -2.867 1
1 20 . 10 1 1 A 8 8 LEU HA H 8 4.356 4.151 0.205 1
1 21 . 10 1 1 A 8 8 LEU CB C 8 42.416 41.813 0.603 1
1 31 . 10 1 1 A 8 8 LEU C C 8 177.479 176.750 0.729 1
1 32 . 10 1 1 A 9 9 ASP N N 9 120.983 121.482 -0.499 1
1 33 . 10 1 1 A 9 9 ASP H H 9 8.413 7.688 0.725 1
1 34 . 10 1 1 A 9 9 ASP CA C 9 54.826 55.093 -0.267 1
1 35 . 10 1 1 A 9 9 ASP HA H 9 4.555 4.564 -0.009 1
1 36 . 10 1 1 A 9 9 ASP CB C 9 40.967 41.096 -0.129 1
1 39 . 10 1 1 A 9 9 ASP C C 9 176.609 176.534 0.075 1
1 40 . 10 1 1 A 10 10 SER N N 10 115.538 117.207 -1.669 1
1 41 . 10 1 1 A 10 10 SER H H 10 8.146 8.371 -0.225 1
1 42 . 10 1 1 A 10 10 SER CA C 10 58.926 56.285 2.641 1
1 43 . 10 1 1 A 10 10 SER HA H 10 4.361 5.175 -0.814 1
1 44 . 10 1 1 A 10 10 SER CB C 10 63.924 66.641 -2.717 1
1 47 . 10 1 1 A 10 10 SER C C 10 174.922 175.552 -0.630 1
1 48 . 10 1 1 A 11 11 GLU N N 11 122.324 119.789 2.535 1
1 49 . 10 1 1 A 11 11 GLU H H 11 8.416 8.954 -0.538 1
1 50 . 10 1 1 A 11 11 GLU CA C 11 56.763 58.989 -2.226 1
1 51 . 10 1 1 A 11 11 GLU HA H 11 4.262 3.699 0.563 1
1 52 . 10 1 1 A 11 11 GLU CB C 11 29.860 29.294 0.566 1
1 58 . 10 1 1 A 11 11 GLU C C 11 176.347 176.815 -0.468 1
1 59 . 10 1 1 A 12 12 LEU N N 12 121.580 116.961 4.619 1
1 60 . 10 1 1 A 12 12 LEU H H 12 7.957 7.994 -0.037 1
1 61 . 10 1 1 A 12 12 LEU CA C 12 54.921 56.276 -1.355 1
1 62 . 10 1 1 A 12 12 LEU HA H 12 4.311 3.855 0.456 1
1 63 . 10 1 1 A 12 12 LEU CB C 12 42.313 40.527 1.786 1
1 76 . 10 1 1 A 12 12 LEU C C 12 176.945 175.978 0.967 1
1 77 . 10 1 1 A 13 13 GLU N N 13 122.146 110.019 12.127 1
1 78 . 10 1 1 A 13 13 GLU H H 13 8.088 8.444 -0.356 1
1 79 . 10 1 1 A 13 13 GLU CA C 13 56.222 57.110 -0.888 1
1 80 . 10 1 1 A 13 13 GLU HA H 13 4.236 3.795 0.441 1
1 81 . 10 1 1 A 13 13 GLU CB C 13 30.332 27.462 2.870 1
1 86 . 10 1 1 A 13 13 GLU C C 13 175.667 175.873 -0.206 1
1 87 . 10 1 1 A 14 14 LEU N N 14 123.302 120.301 3.001 1
1 88 . 10 1 1 A 14 14 LEU H H 14 8.331 7.818 0.513 1
1 89 . 10 1 1 A 14 14 LEU CA C 14 52.689 53.747 -1.058 1
1 90 . 10 1 1 A 14 14 LEU HA H 14 4.376 4.080 0.296 1
1 91 . 10 1 1 A 14 14 LEU CB C 14 41.859 41.222 0.637 1
1 104 . 10 1 1 A 14 14 LEU C C 14 174.694 177.212 -2.518 1
1 105 . 10 1 1 A 15 15 PRO CA C 15 61.808 65.905 -4.097 1
1 106 . 10 1 1 A 15 15 PRO HA H 15 4.509 4.425 0.084 1
1 107 . 10 1 1 A 15 15 PRO CB C 15 31.501 31.544 -0.043 1
1 116 . 10 1 1 A 15 15 PRO C C 15 175.733 176.516 -0.783 1
1 117 . 10 1 1 A 16 16 ALA N N 16 123.226 117.067 6.159 1
1 118 . 10 1 1 A 16 16 ALA H H 16 8.427 8.080 0.347 1
1 119 . 10 1 1 A 16 16 ALA CA C 16 53.836 51.501 2.335 1
1 120 . 10 1 1 A 16 16 ALA HA H 16 4.235 4.808 -0.573 1
1 121 . 10 1 1 A 16 16 ALA CB C 16 18.391 22.782 -4.391 1
1 125 . 10 1 1 A 16 16 ALA C C 16 178.641 177.113 1.528 1
1 126 . 10 1 1 A 17 17 GLY N N 17 110.263 109.977 0.286 1
1 127 . 10 1 1 A 17 17 GLY H H 17 8.816 8.794 0.022 1
1 128 . 10 1 1 A 17 17 GLY CA C 17 45.465 46.147 -0.682 1
1 129 . 10 1 1 A 17 17 GLY HA2 H 17 3.759 3.790 -0.031 1
1 130 . 10 1 1 A 17 17 GLY HA3 H 17 4.261 3.985 0.276 1
1 131 . 10 1 1 A 17 17 GLY C C 17 173.251 173.642 -0.391 1
1 132 . 10 1 1 A 18 18 TRP N N 18 118.263 119.271 -1.008 1
1 133 . 10 1 1 A 18 18 TRP H H 18 7.782 8.000 -0.218 1
1 134 . 10 1 1 A 18 18 TRP CA C 18 56.679 55.849 0.830 1
1 135 . 10 1 1 A 18 18 TRP HA H 18 5.840 5.186 0.654 1
1 136 . 10 1 1 A 18 18 TRP CB C 18 32.215 33.231 -1.016 1
1 151 . 10 1 1 A 18 18 TRP C C 18 177.038 174.999 2.039 1
1 152 . 10 1 1 A 19 19 GLU N N 19 122.023 123.166 -1.143 1
1 153 . 10 1 1 A 19 19 GLU H H 19 9.480 8.530 0.950 1
1 154 . 10 1 1 A 19 19 GLU CA C 19 55.126 55.491 -0.365 1
1 155 . 10 1 1 A 19 19 GLU HA H 19 4.679 4.909 -0.230 1
1 156 . 10 1 1 A 19 19 GLU CB C 19 34.865 33.538 1.327 1
1 162 . 10 1 1 A 19 19 GLU C C 19 173.752 175.036 -1.284 1
1 163 . 10 1 1 A 20 20 LYS N N 20 127.008 127.823 -0.815 1
1 164 . 10 1 1 A 20 20 LYS H H 20 8.848 8.554 0.294 1
1 165 . 10 1 1 A 20 20 LYS CA C 20 55.531 56.608 -1.077 1
1 166 . 10 1 1 A 20 20 LYS HA H 20 4.379 4.737 -0.358 1
1 167 . 10 1 1 A 20 20 LYS CB C 20 33.946 32.791 1.155 1
1 178 . 10 1 1 A 20 20 LYS C C 20 174.530 174.946 -0.416 1
1 179 . 10 1 1 A 21 21 ILE N N 21 130.740 129.561 1.179 1
1 180 . 10 1 1 A 21 21 ILE H H 21 8.894 8.947 -0.053 1
1 181 . 10 1 1 A 21 21 ILE CA C 21 58.996 60.099 -1.103 1
1 182 . 10 1 1 A 21 21 ILE HA H 21 4.035 4.388 -0.353 1
1 183 . 10 1 1 A 21 21 ILE CB C 21 38.249 38.872 -0.623 1
1 196 . 10 1 1 A 21 21 ILE C C 21 173.612 174.467 -0.855 1
1 197 . 10 1 1 A 22 22 GLU N N 22 124.546 127.278 -2.732 1
1 198 . 10 1 1 A 22 22 GLU H H 22 8.273 8.834 -0.561 1
1 199 . 10 1 1 A 22 22 GLU CA C 22 54.652 55.249 -0.597 1
1 200 . 10 1 1 A 22 22 GLU HA H 22 4.429 4.681 -0.252 1
1 201 . 10 1 1 A 22 22 GLU CB C 22 29.876 30.988 -1.112 1
1 207 . 10 1 1 A 22 22 GLU C C 22 174.548 175.245 -0.697 1
1 208 . 10 1 1 A 23 23 ASP N N 23 128.325 126.167 2.158 1
1 209 . 10 1 1 A 23 23 ASP H H 23 8.368 8.786 -0.418 1
1 210 . 10 1 1 A 23 23 ASP CA C 23 51.555 50.561 0.994 1
1 211 . 10 1 1 A 23 23 ASP HA H 23 5.093 5.205 -0.112 1
1 212 . 10 1 1 A 23 23 ASP CB C 23 45.902 42.547 3.355 1
1 215 . 10 1 1 A 23 23 ASP C C 23 175.729 176.175 -0.446 1
1 216 . 10 1 1 A 24 24 PRO CA C 24 64.824 64.946 -0.122 1
1 217 . 10 1 1 A 24 24 PRO HA H 24 4.356 4.450 -0.094 1
1 218 . 10 1 1 A 24 24 PRO CB C 24 32.297 32.185 0.112 1
1 227 . 10 1 1 A 24 24 PRO C C 24 176.540 177.777 -1.237 1
1 228 . 10 1 1 A 25 25 VAL N N 25 118.640 115.949 2.691 1
1 229 . 10 1 1 A 25 25 VAL H H 25 8.485 7.813 0.672 1
1 230 . 10 1 1 A 25 25 VAL CA C 25 64.125 64.138 -0.013 1
1 231 . 10 1 1 A 25 25 VAL HA H 25 3.856 3.938 -0.082 1
1 232 . 10 1 1 A 25 25 VAL CB C 25 33.098 32.486 0.612 1
1 242 . 10 1 1 A 25 25 VAL C C 25 177.626 177.410 0.216 1
1 243 . 10 1 1 A 26 26 TYR N N 26 117.602 117.201 0.401 1
1 244 . 10 1 1 A 26 26 TYR H H 26 8.632 8.312 0.320 1
1 245 . 10 1 1 A 26 26 TYR CA C 26 59.189 59.385 -0.196 1
1 246 . 10 1 1 A 26 26 TYR HA H 26 4.469 4.501 -0.032 1
1 247 . 10 1 1 A 26 26 TYR CB C 26 39.193 38.790 0.403 1
1 258 . 10 1 1 A 26 26 TYR C C 26 176.124 176.565 -0.441 1
1 259 . 10 1 1 A 27 27 GLY N N 27 110.042 106.610 3.432 1
1 260 . 10 1 1 A 27 27 GLY H H 27 8.181 7.913 0.268 1
1 261 . 10 1 1 A 27 27 GLY CA C 27 44.979 44.570 0.409 1
1 262 . 10 1 1 A 27 27 GLY HA2 H 27 3.890 4.122 -0.232 1
1 263 . 10 1 1 A 27 27 GLY HA3 H 27 4.390 4.148 0.242 1
1 264 . 10 1 1 A 27 27 GLY C C 27 173.043 173.390 -0.347 1
1 265 . 10 1 1 A 28 28 ILE N N 28 121.278 121.128 0.150 1
1 266 . 10 1 1 A 28 28 ILE H H 28 8.259 8.227 0.032 1
1 267 . 10 1 1 A 28 28 ILE CA C 28 60.867 61.213 -0.346 1
1 268 . 10 1 1 A 28 28 ILE HA H 28 4.900 4.774 0.126 1
1 269 . 10 1 1 A 28 28 ILE CB C 28 38.763 37.673 1.090 1
1 282 . 10 1 1 A 28 28 ILE C C 28 176.805 175.099 1.706 1
1 283 . 10 1 1 A 29 29 TYR N N 29 124.534 124.118 0.416 1
1 284 . 10 1 1 A 29 29 TYR H H 29 8.822 8.786 0.036 1
1 285 . 10 1 1 A 29 29 TYR CA C 29 56.332 55.173 1.159 1
1 286 . 10 1 1 A 29 29 TYR HA H 29 4.712 5.067 -0.355 1
1 287 . 10 1 1 A 29 29 TYR CB C 29 38.879 41.859 -2.980 1
1 298 . 10 1 1 A 29 29 TYR C C 29 170.710 172.188 -1.478 1
1 299 . 10 1 1 A 30 30 TYR N N 30 116.432 120.389 -3.957 1
1 300 . 10 1 1 A 30 30 TYR H H 30 8.981 8.456 0.525 1
1 301 . 10 1 1 A 30 30 TYR CA C 30 56.921 57.283 -0.362 1
1 302 . 10 1 1 A 30 30 TYR HA H 30 5.417 5.490 -0.073 1
1 303 . 10 1 1 A 30 30 TYR CB C 30 41.603 40.325 1.278 1
1 314 . 10 1 1 A 30 30 TYR C C 30 174.825 175.085 -0.260 1
1 315 . 10 1 1 A 31 31 VAL N N 31 121.385 123.703 -2.318 1
1 316 . 10 1 1 A 31 31 VAL H H 31 9.266 9.017 0.249 1
1 317 . 10 1 1 A 31 31 VAL CA C 31 60.346 59.668 0.678 1
1 318 . 10 1 1 A 31 31 VAL HA H 31 4.610 4.893 -0.283 1
1 319 . 10 1 1 A 31 31 VAL CB C 31 35.393 34.187 1.206 1
1 329 . 10 1 1 A 31 31 VAL C C 31 173.103 173.762 -0.659 1
1 330 . 10 1 1 A 32 32 ASP N N 32 126.129 126.773 -0.644 1
1 331 . 10 1 1 A 32 32 ASP H H 32 8.340 8.694 -0.354 1
1 332 . 10 1 1 A 32 32 ASP CA C 32 51.134 53.785 -2.651 1
1 333 . 10 1 1 A 32 32 ASP HA H 32 3.702 4.725 -1.023 1
1 334 . 10 1 1 A 32 32 ASP CB C 32 39.252 41.179 -1.927 1
1 337 . 10 1 1 A 32 32 ASP C C 32 177.731 175.966 1.765 1
1 338 . 10 1 1 A 33 33 HIS N N 33 121.984 121.707 0.277 1
1 339 . 10 1 1 A 33 33 HIS H H 33 8.728 8.659 0.069 1
1 340 . 10 1 1 A 33 33 HIS CA C 33 58.404 57.236 1.168 1
1 341 . 10 1 1 A 33 33 HIS HA H 33 4.218 4.504 -0.286 1
1 342 . 10 1 1 A 33 33 HIS CB C 33 30.594 28.835 1.759 1
1 349 . 10 1 1 A 33 33 HIS C C 33 176.844 175.412 1.432 1
1 350 . 10 1 1 A 34 34 ILE N N 34 120.023 117.645 2.378 1
1 351 . 10 1 1 A 34 34 ILE H H 34 8.090 7.553 0.537 1
1 352 . 10 1 1 A 34 34 ILE CA C 34 63.382 62.478 0.904 1
1 353 . 10 1 1 A 34 34 ILE HA H 34 3.845 4.049 -0.204 1
1 354 . 10 1 1 A 34 34 ILE CB C 34 37.023 39.328 -2.305 1
1 367 . 10 1 1 A 34 34 ILE C C 34 177.464 177.205 0.259 1
1 368 . 10 1 1 A 35 35 ASN N N 35 115.543 117.996 -2.453 1
1 369 . 10 1 1 A 35 35 ASN H H 35 7.620 7.943 -0.323 1
1 370 . 10 1 1 A 35 35 ASN CA C 35 53.139 53.238 -0.099 1
1 371 . 10 1 1 A 35 35 ASN HA H 35 4.587 4.661 -0.074 1
1 372 . 10 1 1 A 35 35 ASN CB C 35 38.909 38.638 0.271 1
1 378 . 10 1 1 A 35 35 ASN C C 35 173.887 174.448 -0.561 1
1 379 . 10 1 1 A 36 36 ARG N N 36 117.698 116.342 1.356 1
1 380 . 10 1 1 A 36 36 ARG H H 36 7.596 7.594 0.002 1
1 381 . 10 1 1 A 36 36 ARG CA C 36 56.824 57.240 -0.416 1
1 382 . 10 1 1 A 36 36 ARG HA H 36 3.850 3.946 -0.096 1
1 383 . 10 1 1 A 36 36 ARG CB C 36 26.161 26.855 -0.694 1
1 390 . 10 1 1 A 36 36 ARG C C 36 174.732 174.272 0.460 1
1 391 . 10 1 1 A 37 37 LYS N N 37 117.773 117.084 0.689 1
1 392 . 10 1 1 A 37 37 LYS H H 37 7.471 7.371 0.100 1
1 393 . 10 1 1 A 37 37 LYS CA C 37 54.528 54.675 -0.147 1
1 394 . 10 1 1 A 37 37 LYS HA H 37 4.795 4.911 -0.116 1
1 395 . 10 1 1 A 37 37 LYS CB C 37 36.493 35.925 0.568 1
1 404 . 10 1 1 A 37 37 LYS C C 37 174.870 175.729 -0.859 1
1 405 . 10 1 1 A 38 38 THR N N 38 114.635 113.272 1.363 1
1 406 . 10 1 1 A 38 38 THR H H 38 8.322 8.775 -0.453 1
1 407 . 10 1 1 A 38 38 THR CA C 38 60.506 60.419 0.087 1
1 408 . 10 1 1 A 38 38 THR HA H 38 5.390 5.459 -0.069 1
1 409 . 10 1 1 A 38 38 THR CB C 38 71.424 71.247 0.177 1
1 415 . 10 1 1 A 38 38 THR C C 38 173.840 173.869 -0.029 1
1 416 . 10 1 1 A 39 39 GLN N N 39 117.672 122.157 -4.485 1
1 417 . 10 1 1 A 39 39 GLN H H 39 9.335 8.503 0.832 1
1 418 . 10 1 1 A 39 39 GLN CA C 39 54.878 54.233 0.645 1
1 419 . 10 1 1 A 39 39 GLN HA H 39 4.899 5.062 -0.163 1
1 420 . 10 1 1 A 39 39 GLN CB C 39 32.186 31.794 0.392 1
1 429 . 10 1 1 A 39 39 GLN C C 39 174.549 175.362 -0.813 1
1 430 . 10 1 1 A 40 40 TYR N N 40 119.391 119.751 -0.360 1
1 431 . 10 1 1 A 40 40 TYR H H 40 8.858 8.959 -0.101 1
1 432 . 10 1 1 A 40 40 TYR CA C 40 60.804 60.381 0.423 1
1 433 . 10 1 1 A 40 40 TYR HA H 40 4.752 4.557 0.195 1
1 434 . 10 1 1 A 40 40 TYR CB C 40 39.167 39.576 -0.409 1
1 445 . 10 1 1 A 40 40 TYR C C 40 176.295 176.583 -0.288 1
1 446 . 10 1 1 A 41 41 GLU N N 41 119.491 118.398 1.093 1
1 447 . 10 1 1 A 41 41 GLU H H 41 8.079 8.011 0.068 1
1 448 . 10 1 1 A 41 41 GLU CA C 41 56.296 57.260 -0.964 1
1 449 . 10 1 1 A 41 41 GLU HA H 41 4.351 4.279 0.072 1
1 450 . 10 1 1 A 41 41 GLU CB C 41 30.517 30.075 0.442 1
1 456 . 10 1 1 A 41 41 GLU C C 41 175.460 176.412 -0.952 1
1 457 . 10 1 1 A 42 42 ASN N N 42 125.050 125.221 -0.171 1
1 458 . 10 1 1 A 42 42 ASN H H 42 8.720 8.808 -0.088 1
1 459 . 10 1 1 A 42 42 ASN CA C 42 51.186 51.137 0.049 1
1 460 . 10 1 1 A 42 42 ASN HA H 42 2.979 4.747 -1.768 1
1 461 . 10 1 1 A 42 42 ASN CB C 42 38.637 39.179 -0.542 1
1 467 . 10 1 1 A 42 42 ASN C C 42 174.950 175.488 -0.538 1
1 468 . 10 1 1 A 43 43 PRO CA C 43 63.681 65.195 -1.514 1
1 469 . 10 1 1 A 43 43 PRO HA H 43 3.869 4.154 -0.285 1
1 470 . 10 1 1 A 43 43 PRO CB C 43 31.408 31.006 0.402 1
1 479 . 10 1 1 A 43 43 PRO C C 43 178.273 178.623 -0.350 1
1 480 . 10 1 1 A 44 44 VAL N N 44 119.901 115.659 4.242 1
1 481 . 10 1 1 A 44 44 VAL H H 44 7.968 7.225 0.743 1
1 482 . 10 1 1 A 44 44 VAL CA C 44 64.744 65.580 -0.836 1
1 483 . 10 1 1 A 44 44 VAL HA H 44 3.646 3.613 0.033 1
1 484 . 10 1 1 A 44 44 VAL CB C 44 31.581 31.237 0.344 1
1 494 . 10 1 1 A 44 44 VAL C C 44 177.625 178.177 -0.552 1
1 495 . 10 1 1 A 45 45 LEU N N 45 120.711 119.806 0.905 1
1 496 . 10 1 1 A 45 45 LEU H H 45 7.076 7.921 -0.845 1
1 497 . 10 1 1 A 45 45 LEU CA C 45 56.822 58.175 -1.353 1
1 498 . 10 1 1 A 45 45 LEU HA H 45 3.994 3.823 0.171 1
1 499 . 10 1 1 A 45 45 LEU CB C 45 41.194 41.721 -0.527 1
1 512 . 10 1 1 A 45 45 LEU C C 45 179.099 178.868 0.231 1
1 513 . 10 1 1 A 46 46 GLU N N 46 120.581 118.439 2.142 1
1 514 . 10 1 1 A 46 46 GLU H H 46 8.001 8.093 -0.092 1
1 515 . 10 1 1 A 46 46 GLU CA C 46 58.462 59.610 -1.148 1
1 516 . 10 1 1 A 46 46 GLU HA H 46 3.961 4.002 -0.041 1
1 517 . 10 1 1 A 46 46 GLU CB C 46 29.956 29.374 0.582 1
1 523 . 10 1 1 A 46 46 GLU C C 46 177.685 178.322 -0.637 1
1 524 . 10 1 1 A 47 47 ALA N N 47 121.265 121.216 0.049 1
1 525 . 10 1 1 A 47 47 ALA H H 47 7.625 8.036 -0.411 1
1 526 . 10 1 1 A 47 47 ALA CA C 47 54.438 55.129 -0.691 1
1 527 . 10 1 1 A 47 47 ALA HA H 47 4.082 4.060 0.022 1
1 528 . 10 1 1 A 47 47 ALA CB C 47 18.192 18.675 -0.483 1
1 532 . 10 1 1 A 47 47 ALA C C 47 179.879 179.609 0.270 1
1 533 . 10 1 1 A 48 48 LYS N N 48 118.414 117.123 1.291 1
1 534 . 10 1 1 A 48 48 LYS H H 48 7.776 7.706 0.070 1
1 535 . 10 1 1 A 48 48 LYS CA C 48 58.491 59.005 -0.514 1
1 536 . 10 1 1 A 48 48 LYS HA H 48 4.063 4.035 0.028 1
1 537 . 10 1 1 A 48 48 LYS CB C 48 32.565 32.007 0.558 1
1 547 . 10 1 1 A 48 48 LYS C C 48 178.235 178.393 -0.158 1
1 548 . 10 1 1 A 49 49 ARG N N 49 120.324 119.715 0.609 1
1 549 . 10 1 1 A 49 49 ARG H H 49 7.968 7.892 0.076 1
1 550 . 10 1 1 A 49 49 ARG CA C 49 58.156 58.914 -0.758 1
1 551 . 10 1 1 A 49 49 ARG HA H 49 4.140 4.300 -0.160 1
1 552 . 10 1 1 A 49 49 ARG CB C 49 30.349 29.958 0.391 1
1 561 . 10 1 1 A 49 49 ARG C C 49 177.985 178.229 -0.244 1
1 562 . 10 1 1 A 50 50 LYS N N 50 120.001 117.406 2.595 1
1 563 . 10 1 1 A 50 50 LYS H H 50 8.051 8.409 -0.358 1
1 564 . 10 1 1 A 50 50 LYS CA C 50 58.185 58.232 -0.047 1
1 565 . 10 1 1 A 50 50 LYS HA H 50 4.099 4.211 -0.112 1
1 566 . 10 1 1 A 50 50 LYS CB C 50 32.645 32.740 -0.095 1
1 575 . 10 1 1 A 50 50 LYS C C 50 177.791 178.669 -0.878 1
1 576 . 10 1 1 A 51 51 LYS N N 51 120.458 119.773 0.685 1
1 577 . 10 1 1 A 51 51 LYS H H 51 7.915 8.204 -0.289 1
1 578 . 10 1 1 A 51 51 LYS CA C 51 57.452 58.737 -1.285 1
1 579 . 10 1 1 A 51 51 LYS HA H 51 4.189 4.212 -0.023 1
1 580 . 10 1 1 A 51 51 LYS CB C 51 32.620 32.782 -0.162 1
1 590 . 10 1 1 A 51 51 LYS C C 51 177.670 178.344 -0.674 1
1 591 . 10 1 1 A 52 52 GLN N N 52 119.883 116.165 3.718 1
1 592 . 10 1 1 A 52 52 GLN H H 52 8.060 8.252 -0.192 1
1 593 . 10 1 1 A 52 52 GLN CA C 52 56.866 58.280 -1.414 1
1 594 . 10 1 1 A 52 52 GLN HA H 52 4.213 4.125 0.088 1
1 595 . 10 1 1 A 52 52 GLN CB C 52 28.969 27.892 1.077 1
1 604 . 10 1 1 A 52 52 GLN C C 52 176.851 176.518 0.333 1
1 605 . 10 1 1 A 53 53 LEU N N 53 121.489 122.652 -1.163 1
1 606 . 10 1 1 A 53 53 LEU H H 53 8.027 7.505 0.522 1
1 607 . 10 1 1 A 53 53 LEU CA C 53 55.826 55.526 0.300 1
1 608 . 10 1 1 A 53 53 LEU HA H 53 4.288 4.087 0.201 1
1 609 . 10 1 1 A 53 53 LEU CB C 53 42.379 41.887 0.492 1
1 622 . 10 1 1 A 53 53 LEU C C 53 177.973 176.146 1.827 1
1 623 . 10 1 1 A 54 54 GLU N N 54 120.395 125.108 -4.713 1
1 624 . 10 1 1 A 54 54 GLU H H 54 8.141 8.794 -0.653 1
1 625 . 10 1 1 A 54 54 GLU CA C 54 56.906 55.188 1.718 1
1 626 . 10 1 1 A 54 54 GLU HA H 54 4.291 4.897 -0.606 1
1 627 . 10 1 1 A 54 54 GLU CB C 54 30.228 31.064 -0.836 1
1 633 . 10 1 1 A 54 54 GLU C C 54 176.762 175.305 1.457 1
1 634 . 10 1 1 A 55 55 SER N N 55 115.834 120.170 -4.336 1
1 635 . 10 1 1 A 55 55 SER H H 55 8.178 8.865 -0.687 1
1 636 . 10 1 1 A 55 55 SER CA C 55 58.606 56.008 2.598 1
1 637 . 10 1 1 A 55 55 SER HA H 55 4.492 5.307 -0.815 1
1 638 . 10 1 1 A 55 55 SER CB C 55 63.869 66.046 -2.177 1
1 641 . 10 1 1 A 55 55 SER C C 55 174.614 173.555 1.059 1
1 642 . 10 1 1 A 56 56 GLY N N 56 110.601 111.071 -0.470 1
1 643 . 10 1 1 A 56 56 GLY H H 56 8.163 8.405 -0.242 1
1 644 . 10 1 1 A 56 56 GLY CA C 56 44.731 44.098 0.633 1
1 645 . 10 1 1 A 56 56 GLY HA2 H 56 4.098 4.150 -0.052 1
1 646 . 10 1 1 A 56 56 GLY HA3 H 56 4.167 4.150 0.017 1
1 647 . 10 1 1 A 56 56 GLY C C 56 171.805 174.158 -2.353 1
1 648 . 10 1 1 A 57 57 PRO CA C 57 63.271 64.643 -1.372 1
1 649 . 10 1 1 A 57 57 PRO HA H 57 4.475 4.430 0.045 1
1 650 . 10 1 1 A 57 57 PRO CB C 57 32.133 32.067 0.066 1
1 659 . 10 1 1 A 57 57 PRO C C 57 177.422 176.277 1.145 1
1 660 . 10 1 1 A 58 58 SER N N 58 116.422 115.040 1.382 1
1 661 . 10 1 1 A 58 58 SER H H 58 8.524 7.919 0.605 1
1 662 . 10 1 1 A 58 58 SER CA C 58 58.457 59.683 -1.226 1
1 663 . 10 1 1 A 58 58 SER HA H 58 4.494 4.574 -0.080 1
1 664 . 10 1 1 A 58 58 SER CB C 58 63.945 64.075 -0.130 1
1 667 . 10 1 1 A 58 58 SER C C 58 174.720 173.909 0.811 1
1 668 . 10 1 1 A 59 59 SER N N 59 117.951 116.006 1.945 1
1 669 . 10 1 1 A 59 59 SER H H 59 8.342 8.520 -0.178 1
1 670 . 10 1 1 A 59 59 SER CA C 59 58.327 56.187 2.140 1
1 671 . 10 1 1 A 59 59 SER HA H 59 4.491 5.354 -0.863 1
1 672 . 10 1 1 A 59 59 SER CB C 59 63.965 65.904 -1.939 1
1 675 . 10 1 1 A 59 59 SER C C 59 173.967 174.316 -0.349 1
1 1 . 11 1 1 A 5 5 SER N N 5 115.829 114.658 1.171 1
1 2 . 11 1 1 A 5 5 SER CA C 5 58.317 56.420 1.897 1
1 3 . 11 1 1 A 5 5 SER CB C 5 63.703 65.956 -2.253 1
1 4 . 11 1 1 A 5 5 SER C C 5 174.849 173.260 1.589 1
1 5 . 11 1 1 A 6 6 SER N N 6 117.994 114.170 3.824 1
1 6 . 11 1 1 A 6 6 SER CA C 6 58.677 57.146 1.531 1
1 7 . 11 1 1 A 6 6 SER HA H 6 4.501 5.092 -0.591 1
1 8 . 11 1 1 A 6 6 SER CB C 6 63.732 64.374 -0.642 1
1 10 . 11 1 1 A 6 6 SER C C 6 175.043 174.604 0.439 1
1 11 . 11 1 1 A 7 7 GLY N N 7 110.716 113.294 -2.578 1
1 12 . 11 1 1 A 7 7 GLY H H 7 8.429 8.867 -0.438 1
1 13 . 11 1 1 A 7 7 GLY CA C 7 45.403 46.977 -1.574 1
1 14 . 11 1 1 A 7 7 GLY HA2 H 7 3.976 3.902 0.074 1
1 15 . 11 1 1 A 7 7 GLY HA3 H 7 3.976 3.902 0.074 1
1 16 . 11 1 1 A 7 7 GLY C C 7 174.231 175.415 -1.184 1
1 17 . 11 1 1 A 8 8 LEU N N 8 121.547 120.346 1.201 1
1 18 . 11 1 1 A 8 8 LEU H H 8 8.132 8.247 -0.115 1
1 19 . 11 1 1 A 8 8 LEU CA C 8 55.233 55.160 0.073 1
1 20 . 11 1 1 A 8 8 LEU HA H 8 4.356 4.524 -0.168 1
1 21 . 11 1 1 A 8 8 LEU CB C 8 42.416 43.164 -0.748 1
1 31 . 11 1 1 A 8 8 LEU C C 8 177.479 176.970 0.509 1
1 32 . 11 1 1 A 9 9 ASP N N 9 120.983 118.137 2.846 1
1 33 . 11 1 1 A 9 9 ASP H H 9 8.413 7.805 0.608 1
1 34 . 11 1 1 A 9 9 ASP CA C 9 54.826 53.036 1.790 1
1 35 . 11 1 1 A 9 9 ASP HA H 9 4.555 5.129 -0.574 1
1 36 . 11 1 1 A 9 9 ASP CB C 9 40.967 46.443 -5.476 1
1 39 . 11 1 1 A 9 9 ASP C C 9 176.609 174.382 2.227 1
1 40 . 11 1 1 A 10 10 SER N N 10 115.538 113.541 1.997 1
1 41 . 11 1 1 A 10 10 SER H H 10 8.146 8.643 -0.497 1
1 42 . 11 1 1 A 10 10 SER CA C 10 58.926 57.138 1.788 1
1 43 . 11 1 1 A 10 10 SER HA H 10 4.361 4.868 -0.507 1
1 44 . 11 1 1 A 10 10 SER CB C 10 63.924 65.875 -1.951 1
1 47 . 11 1 1 A 10 10 SER C C 10 174.922 174.815 0.107 1
1 48 . 11 1 1 A 11 11 GLU N N 11 122.324 120.537 1.787 1
1 49 . 11 1 1 A 11 11 GLU H H 11 8.416 9.106 -0.690 1
1 50 . 11 1 1 A 11 11 GLU CA C 11 56.763 59.060 -2.297 1
1 51 . 11 1 1 A 11 11 GLU HA H 11 4.262 3.751 0.511 1
1 52 . 11 1 1 A 11 11 GLU CB C 11 29.860 29.161 0.699 1
1 58 . 11 1 1 A 11 11 GLU C C 11 176.347 176.676 -0.329 1
1 59 . 11 1 1 A 12 12 LEU N N 12 121.580 116.978 4.602 1
1 60 . 11 1 1 A 12 12 LEU H H 12 7.957 7.973 -0.016 1
1 61 . 11 1 1 A 12 12 LEU CA C 12 54.921 56.298 -1.377 1
1 62 . 11 1 1 A 12 12 LEU HA H 12 4.311 3.852 0.459 1
1 63 . 11 1 1 A 12 12 LEU CB C 12 42.313 40.554 1.759 1
1 76 . 11 1 1 A 12 12 LEU C C 12 176.945 175.979 0.966 1
1 77 . 11 1 1 A 13 13 GLU N N 13 122.146 110.018 12.128 1
1 78 . 11 1 1 A 13 13 GLU H H 13 8.088 8.457 -0.369 1
1 79 . 11 1 1 A 13 13 GLU CA C 13 56.222 57.148 -0.926 1
1 80 . 11 1 1 A 13 13 GLU HA H 13 4.236 3.840 0.396 1
1 81 . 11 1 1 A 13 13 GLU CB C 13 30.332 27.385 2.947 1
1 86 . 11 1 1 A 13 13 GLU C C 13 175.667 175.845 -0.178 1
1 87 . 11 1 1 A 14 14 LEU N N 14 123.302 120.362 2.940 1
1 88 . 11 1 1 A 14 14 LEU H H 14 8.331 7.800 0.531 1
1 89 . 11 1 1 A 14 14 LEU CA C 14 52.689 53.710 -1.021 1
1 90 . 11 1 1 A 14 14 LEU HA H 14 4.376 4.083 0.293 1
1 91 . 11 1 1 A 14 14 LEU CB C 14 41.859 41.407 0.452 1
1 104 . 11 1 1 A 14 14 LEU C C 14 174.694 177.352 -2.658 1
1 105 . 11 1 1 A 15 15 PRO CA C 15 61.808 65.903 -4.095 1
1 106 . 11 1 1 A 15 15 PRO HA H 15 4.509 4.424 0.085 1
1 107 . 11 1 1 A 15 15 PRO CB C 15 31.501 31.541 -0.040 1
1 116 . 11 1 1 A 15 15 PRO C C 15 175.733 176.513 -0.780 1
1 117 . 11 1 1 A 16 16 ALA N N 16 123.226 117.061 6.165 1
1 118 . 11 1 1 A 16 16 ALA H H 16 8.427 8.077 0.350 1
1 119 . 11 1 1 A 16 16 ALA CA C 16 53.836 51.493 2.343 1
1 120 . 11 1 1 A 16 16 ALA HA H 16 4.235 4.800 -0.565 1
1 121 . 11 1 1 A 16 16 ALA CB C 16 18.391 22.776 -4.385 1
1 125 . 11 1 1 A 16 16 ALA C C 16 178.641 177.097 1.544 1
1 126 . 11 1 1 A 17 17 GLY N N 17 110.263 109.946 0.317 1
1 127 . 11 1 1 A 17 17 GLY H H 17 8.816 8.768 0.048 1
1 128 . 11 1 1 A 17 17 GLY CA C 17 45.465 45.991 -0.526 1
1 129 . 11 1 1 A 17 17 GLY HA2 H 17 3.759 3.757 0.002 1
1 130 . 11 1 1 A 17 17 GLY HA3 H 17 4.261 3.912 0.349 1
1 131 . 11 1 1 A 17 17 GLY C C 17 173.251 173.527 -0.276 1
1 132 . 11 1 1 A 18 18 TRP N N 18 118.263 119.490 -1.227 1
1 133 . 11 1 1 A 18 18 TRP H H 18 7.782 7.962 -0.180 1
1 134 . 11 1 1 A 18 18 TRP CA C 18 56.679 55.925 0.754 1
1 135 . 11 1 1 A 18 18 TRP HA H 18 5.840 5.126 0.714 1
1 136 . 11 1 1 A 18 18 TRP CB C 18 32.215 33.116 -0.901 1
1 151 . 11 1 1 A 18 18 TRP C C 18 177.038 175.013 2.025 1
1 152 . 11 1 1 A 19 19 GLU N N 19 122.023 123.141 -1.118 1
1 153 . 11 1 1 A 19 19 GLU H H 19 9.480 8.576 0.904 1
1 154 . 11 1 1 A 19 19 GLU CA C 19 55.126 55.472 -0.346 1
1 155 . 11 1 1 A 19 19 GLU HA H 19 4.679 4.991 -0.312 1
1 156 . 11 1 1 A 19 19 GLU CB C 19 34.865 33.702 1.163 1
1 162 . 11 1 1 A 19 19 GLU C C 19 173.752 175.131 -1.379 1
1 163 . 11 1 1 A 20 20 LYS N N 20 127.008 127.582 -0.574 1
1 164 . 11 1 1 A 20 20 LYS H H 20 8.848 8.586 0.262 1
1 165 . 11 1 1 A 20 20 LYS CA C 20 55.531 56.689 -1.158 1
1 166 . 11 1 1 A 20 20 LYS HA H 20 4.379 4.750 -0.371 1
1 167 . 11 1 1 A 20 20 LYS CB C 20 33.946 32.883 1.063 1
1 178 . 11 1 1 A 20 20 LYS C C 20 174.530 174.940 -0.410 1
1 179 . 11 1 1 A 21 21 ILE N N 21 130.740 129.200 1.540 1
1 180 . 11 1 1 A 21 21 ILE H H 21 8.894 9.029 -0.135 1
1 181 . 11 1 1 A 21 21 ILE CA C 21 58.996 60.064 -1.068 1
1 182 . 11 1 1 A 21 21 ILE HA H 21 4.035 4.419 -0.384 1
1 183 . 11 1 1 A 21 21 ILE CB C 21 38.249 38.648 -0.399 1
1 196 . 11 1 1 A 21 21 ILE C C 21 173.612 174.536 -0.924 1
1 197 . 11 1 1 A 22 22 GLU N N 22 124.546 127.377 -2.831 1
1 198 . 11 1 1 A 22 22 GLU H H 22 8.273 8.879 -0.606 1
1 199 . 11 1 1 A 22 22 GLU CA C 22 54.652 55.339 -0.687 1
1 200 . 11 1 1 A 22 22 GLU HA H 22 4.429 4.741 -0.312 1
1 201 . 11 1 1 A 22 22 GLU CB C 22 29.876 30.941 -1.065 1
1 207 . 11 1 1 A 22 22 GLU C C 22 174.548 175.262 -0.714 1
1 208 . 11 1 1 A 23 23 ASP N N 23 128.325 126.181 2.144 1
1 209 . 11 1 1 A 23 23 ASP H H 23 8.368 8.721 -0.353 1
1 210 . 11 1 1 A 23 23 ASP CA C 23 51.555 50.532 1.023 1
1 211 . 11 1 1 A 23 23 ASP HA H 23 5.093 5.219 -0.126 1
1 212 . 11 1 1 A 23 23 ASP CB C 23 45.902 42.556 3.346 1
1 215 . 11 1 1 A 23 23 ASP C C 23 175.729 176.170 -0.441 1
1 216 . 11 1 1 A 24 24 PRO CA C 24 64.824 64.892 -0.068 1
1 217 . 11 1 1 A 24 24 PRO HA H 24 4.356 4.470 -0.114 1
1 218 . 11 1 1 A 24 24 PRO CB C 24 32.297 32.240 0.057 1
1 227 . 11 1 1 A 24 24 PRO C C 24 176.540 177.667 -1.127 1
1 228 . 11 1 1 A 25 25 VAL N N 25 118.640 116.205 2.435 1
1 229 . 11 1 1 A 25 25 VAL H H 25 8.485 7.820 0.665 1
1 230 . 11 1 1 A 25 25 VAL CA C 25 64.125 64.109 0.016 1
1 231 . 11 1 1 A 25 25 VAL HA H 25 3.856 3.942 -0.086 1
1 232 . 11 1 1 A 25 25 VAL CB C 25 33.098 32.545 0.553 1
1 242 . 11 1 1 A 25 25 VAL C C 25 177.626 177.400 0.226 1
1 243 . 11 1 1 A 26 26 TYR N N 26 117.602 117.121 0.481 1
1 244 . 11 1 1 A 26 26 TYR H H 26 8.632 8.326 0.306 1
1 245 . 11 1 1 A 26 26 TYR CA C 26 59.189 59.488 -0.299 1
1 246 . 11 1 1 A 26 26 TYR HA H 26 4.469 4.461 0.008 1
1 247 . 11 1 1 A 26 26 TYR CB C 26 39.193 38.795 0.398 1
1 258 . 11 1 1 A 26 26 TYR C C 26 176.124 176.655 -0.531 1
1 259 . 11 1 1 A 27 27 GLY N N 27 110.042 106.617 3.425 1
1 260 . 11 1 1 A 27 27 GLY H H 27 8.181 7.925 0.256 1
1 261 . 11 1 1 A 27 27 GLY CA C 27 44.979 44.588 0.391 1
1 262 . 11 1 1 A 27 27 GLY HA2 H 27 3.890 4.194 -0.304 1
1 263 . 11 1 1 A 27 27 GLY HA3 H 27 4.390 4.266 0.124 1
1 264 . 11 1 1 A 27 27 GLY C C 27 173.043 173.535 -0.492 1
1 265 . 11 1 1 A 28 28 ILE N N 28 121.278 121.499 -0.221 1
1 266 . 11 1 1 A 28 28 ILE H H 28 8.259 8.423 -0.164 1
1 267 . 11 1 1 A 28 28 ILE CA C 28 60.867 61.461 -0.594 1
1 268 . 11 1 1 A 28 28 ILE HA H 28 4.900 4.881 0.019 1
1 269 . 11 1 1 A 28 28 ILE CB C 28 38.763 37.914 0.849 1
1 282 . 11 1 1 A 28 28 ILE C C 28 176.805 175.200 1.605 1
1 283 . 11 1 1 A 29 29 TYR N N 29 124.534 124.071 0.463 1
1 284 . 11 1 1 A 29 29 TYR H H 29 8.822 8.817 0.005 1
1 285 . 11 1 1 A 29 29 TYR CA C 29 56.332 55.503 0.829 1
1 286 . 11 1 1 A 29 29 TYR HA H 29 4.712 5.204 -0.492 1
1 287 . 11 1 1 A 29 29 TYR CB C 29 38.879 41.648 -2.769 1
1 298 . 11 1 1 A 29 29 TYR C C 29 170.710 171.975 -1.265 1
1 299 . 11 1 1 A 30 30 TYR N N 30 116.432 120.398 -3.966 1
1 300 . 11 1 1 A 30 30 TYR H H 30 8.981 8.970 0.011 1
1 301 . 11 1 1 A 30 30 TYR CA C 30 56.921 57.544 -0.623 1
1 302 . 11 1 1 A 30 30 TYR HA H 30 5.417 5.518 -0.101 1
1 303 . 11 1 1 A 30 30 TYR CB C 30 41.603 40.253 1.350 1
1 314 . 11 1 1 A 30 30 TYR C C 30 174.825 175.086 -0.261 1
1 315 . 11 1 1 A 31 31 VAL N N 31 121.385 124.040 -2.655 1
1 316 . 11 1 1 A 31 31 VAL H H 31 9.266 8.964 0.302 1
1 317 . 11 1 1 A 31 31 VAL CA C 31 60.346 59.656 0.690 1
1 318 . 11 1 1 A 31 31 VAL HA H 31 4.610 4.846 -0.236 1
1 319 . 11 1 1 A 31 31 VAL CB C 31 35.393 34.163 1.230 1
1 329 . 11 1 1 A 31 31 VAL C C 31 173.103 173.491 -0.388 1
1 330 . 11 1 1 A 32 32 ASP N N 32 126.129 126.996 -0.867 1
1 331 . 11 1 1 A 32 32 ASP H H 32 8.340 8.819 -0.479 1
1 332 . 11 1 1 A 32 32 ASP CA C 32 51.134 53.644 -2.510 1
1 333 . 11 1 1 A 32 32 ASP HA H 32 3.702 4.819 -1.117 1
1 334 . 11 1 1 A 32 32 ASP CB C 32 39.252 41.278 -2.026 1
1 337 . 11 1 1 A 32 32 ASP C C 32 177.731 175.640 2.091 1
1 338 . 11 1 1 A 33 33 HIS N N 33 121.984 121.741 0.243 1
1 339 . 11 1 1 A 33 33 HIS H H 33 8.728 7.851 0.877 1
1 340 . 11 1 1 A 33 33 HIS CA C 33 58.404 57.503 0.901 1
1 341 . 11 1 1 A 33 33 HIS HA H 33 4.218 4.503 -0.285 1
1 342 . 11 1 1 A 33 33 HIS CB C 33 30.594 29.140 1.454 1
1 349 . 11 1 1 A 33 33 HIS C C 33 176.844 175.674 1.170 1
1 350 . 11 1 1 A 34 34 ILE N N 34 120.023 117.638 2.385 1
1 351 . 11 1 1 A 34 34 ILE H H 34 8.090 7.543 0.547 1
1 352 . 11 1 1 A 34 34 ILE CA C 34 63.382 62.610 0.772 1
1 353 . 11 1 1 A 34 34 ILE HA H 34 3.845 4.016 -0.171 1
1 354 . 11 1 1 A 34 34 ILE CB C 34 37.023 39.298 -2.275 1
1 367 . 11 1 1 A 34 34 ILE C C 34 177.464 177.388 0.076 1
1 368 . 11 1 1 A 35 35 ASN N N 35 115.543 117.957 -2.414 1
1 369 . 11 1 1 A 35 35 ASN H H 35 7.620 7.912 -0.292 1
1 370 . 11 1 1 A 35 35 ASN CA C 35 53.139 53.536 -0.397 1
1 371 . 11 1 1 A 35 35 ASN HA H 35 4.587 4.641 -0.054 1
1 372 . 11 1 1 A 35 35 ASN CB C 35 38.909 38.539 0.370 1
1 378 . 11 1 1 A 35 35 ASN C C 35 173.887 174.665 -0.778 1
1 379 . 11 1 1 A 36 36 ARG N N 36 117.698 116.591 1.107 1
1 380 . 11 1 1 A 36 36 ARG H H 36 7.596 7.381 0.215 1
1 381 . 11 1 1 A 36 36 ARG CA C 36 56.824 57.066 -0.242 1
1 382 . 11 1 1 A 36 36 ARG HA H 36 3.850 3.800 0.050 1
1 383 . 11 1 1 A 36 36 ARG CB C 36 26.161 27.235 -1.074 1
1 390 . 11 1 1 A 36 36 ARG C C 36 174.732 174.729 0.003 1
1 391 . 11 1 1 A 37 37 LYS N N 37 117.773 114.252 3.521 1
1 392 . 11 1 1 A 37 37 LYS H H 37 7.471 7.423 0.048 1
1 393 . 11 1 1 A 37 37 LYS CA C 37 54.528 54.985 -0.457 1
1 394 . 11 1 1 A 37 37 LYS HA H 37 4.795 4.946 -0.151 1
1 395 . 11 1 1 A 37 37 LYS CB C 37 36.493 36.084 0.409 1
1 404 . 11 1 1 A 37 37 LYS C C 37 174.870 174.557 0.313 1
1 405 . 11 1 1 A 38 38 THR N N 38 114.635 110.659 3.976 1
1 406 . 11 1 1 A 38 38 THR H H 38 8.322 8.574 -0.252 1
1 407 . 11 1 1 A 38 38 THR CA C 38 60.506 60.456 0.050 1
1 408 . 11 1 1 A 38 38 THR HA H 38 5.390 5.196 0.194 1
1 409 . 11 1 1 A 38 38 THR CB C 38 71.424 71.247 0.177 1
1 415 . 11 1 1 A 38 38 THR C C 38 173.840 173.692 0.148 1
1 416 . 11 1 1 A 39 39 GLN N N 39 117.672 124.315 -6.643 1
1 417 . 11 1 1 A 39 39 GLN H H 39 9.335 8.942 0.393 1
1 418 . 11 1 1 A 39 39 GLN CA C 39 54.878 53.858 1.020 1
1 419 . 11 1 1 A 39 39 GLN HA H 39 4.899 4.916 -0.017 1
1 420 . 11 1 1 A 39 39 GLN CB C 39 32.186 32.265 -0.079 1
1 429 . 11 1 1 A 39 39 GLN C C 39 174.549 175.820 -1.271 1
1 430 . 11 1 1 A 40 40 TYR N N 40 119.391 120.443 -1.052 1
1 431 . 11 1 1 A 40 40 TYR H H 40 8.858 9.178 -0.320 1
1 432 . 11 1 1 A 40 40 TYR CA C 40 60.804 60.644 0.160 1
1 433 . 11 1 1 A 40 40 TYR HA H 40 4.752 4.353 0.399 1
1 434 . 11 1 1 A 40 40 TYR CB C 40 39.167 39.014 0.153 1
1 445 . 11 1 1 A 40 40 TYR C C 40 176.295 176.946 -0.651 1
1 446 . 11 1 1 A 41 41 GLU N N 41 119.491 118.352 1.139 1
1 447 . 11 1 1 A 41 41 GLU H H 41 8.079 7.972 0.107 1
1 448 . 11 1 1 A 41 41 GLU CA C 41 56.296 57.447 -1.151 1
1 449 . 11 1 1 A 41 41 GLU HA H 41 4.351 4.258 0.093 1
1 450 . 11 1 1 A 41 41 GLU CB C 41 30.517 30.469 0.048 1
1 456 . 11 1 1 A 41 41 GLU C C 41 175.460 176.151 -0.691 1
1 457 . 11 1 1 A 42 42 ASN N N 42 125.050 124.495 0.555 1
1 458 . 11 1 1 A 42 42 ASN H H 42 8.720 8.669 0.051 1
1 459 . 11 1 1 A 42 42 ASN CA C 42 51.186 51.005 0.181 1
1 460 . 11 1 1 A 42 42 ASN HA H 42 2.979 4.928 -1.949 1
1 461 . 11 1 1 A 42 42 ASN CB C 42 38.637 39.674 -1.037 1
1 467 . 11 1 1 A 42 42 ASN C C 42 174.950 175.396 -0.446 1
1 468 . 11 1 1 A 43 43 PRO CA C 43 63.681 65.360 -1.679 1
1 469 . 11 1 1 A 43 43 PRO HA H 43 3.869 4.131 -0.262 1
1 470 . 11 1 1 A 43 43 PRO CB C 43 31.408 30.859 0.549 1
1 479 . 11 1 1 A 43 43 PRO C C 43 178.273 178.622 -0.349 1
1 480 . 11 1 1 A 44 44 VAL N N 44 119.901 115.502 4.399 1
1 481 . 11 1 1 A 44 44 VAL H H 44 7.968 7.212 0.756 1
1 482 . 11 1 1 A 44 44 VAL CA C 44 64.744 65.375 -0.631 1
1 483 . 11 1 1 A 44 44 VAL HA H 44 3.646 3.593 0.053 1
1 484 . 11 1 1 A 44 44 VAL CB C 44 31.581 31.472 0.109 1
1 494 . 11 1 1 A 44 44 VAL C C 44 177.625 178.152 -0.527 1
1 495 . 11 1 1 A 45 45 LEU N N 45 120.711 119.703 1.008 1
1 496 . 11 1 1 A 45 45 LEU H H 45 7.076 8.120 -1.044 1
1 497 . 11 1 1 A 45 45 LEU CA C 45 56.822 58.375 -1.553 1
1 498 . 11 1 1 A 45 45 LEU HA H 45 3.994 3.836 0.158 1
1 499 . 11 1 1 A 45 45 LEU CB C 45 41.194 41.446 -0.252 1
1 512 . 11 1 1 A 45 45 LEU C C 45 179.099 178.709 0.390 1
1 513 . 11 1 1 A 46 46 GLU N N 46 120.581 118.048 2.533 1
1 514 . 11 1 1 A 46 46 GLU H H 46 8.001 8.101 -0.100 1
1 515 . 11 1 1 A 46 46 GLU CA C 46 58.462 59.792 -1.330 1
1 516 . 11 1 1 A 46 46 GLU HA H 46 3.961 4.017 -0.056 1
1 517 . 11 1 1 A 46 46 GLU CB C 46 29.956 29.405 0.551 1
1 523 . 11 1 1 A 46 46 GLU C C 46 177.685 178.507 -0.822 1
1 524 . 11 1 1 A 47 47 ALA N N 47 121.265 121.030 0.235 1
1 525 . 11 1 1 A 47 47 ALA H H 47 7.625 7.971 -0.346 1
1 526 . 11 1 1 A 47 47 ALA CA C 47 54.438 55.249 -0.811 1
1 527 . 11 1 1 A 47 47 ALA HA H 47 4.082 4.059 0.023 1
1 528 . 11 1 1 A 47 47 ALA CB C 47 18.192 18.635 -0.443 1
1 532 . 11 1 1 A 47 47 ALA C C 47 179.879 179.629 0.250 1
1 533 . 11 1 1 A 48 48 LYS N N 48 118.414 116.966 1.448 1
1 534 . 11 1 1 A 48 48 LYS H H 48 7.776 7.671 0.105 1
1 535 . 11 1 1 A 48 48 LYS CA C 48 58.491 59.016 -0.525 1
1 536 . 11 1 1 A 48 48 LYS HA H 48 4.063 4.047 0.016 1
1 537 . 11 1 1 A 48 48 LYS CB C 48 32.565 32.006 0.559 1
1 547 . 11 1 1 A 48 48 LYS C C 48 178.235 178.394 -0.159 1
1 548 . 11 1 1 A 49 49 ARG N N 49 120.324 119.717 0.607 1
1 549 . 11 1 1 A 49 49 ARG H H 49 7.968 8.033 -0.065 1
1 550 . 11 1 1 A 49 49 ARG CA C 49 58.156 58.888 -0.732 1
1 551 . 11 1 1 A 49 49 ARG HA H 49 4.140 4.050 0.090 1
1 552 . 11 1 1 A 49 49 ARG CB C 49 30.349 29.817 0.532 1
1 561 . 11 1 1 A 49 49 ARG C C 49 177.985 178.345 -0.360 1
1 562 . 11 1 1 A 50 50 LYS N N 50 120.001 117.245 2.756 1
1 563 . 11 1 1 A 50 50 LYS H H 50 8.051 8.369 -0.318 1
1 564 . 11 1 1 A 50 50 LYS CA C 50 58.185 58.269 -0.084 1
1 565 . 11 1 1 A 50 50 LYS HA H 50 4.099 4.174 -0.075 1
1 566 . 11 1 1 A 50 50 LYS CB C 50 32.645 32.658 -0.013 1
1 575 . 11 1 1 A 50 50 LYS C C 50 177.791 177.996 -0.205 1
1 576 . 11 1 1 A 51 51 LYS N N 51 120.458 119.543 0.915 1
1 577 . 11 1 1 A 51 51 LYS H H 51 7.915 7.819 0.096 1
1 578 . 11 1 1 A 51 51 LYS CA C 51 57.452 58.473 -1.021 1
1 579 . 11 1 1 A 51 51 LYS HA H 51 4.189 4.261 -0.072 1
1 580 . 11 1 1 A 51 51 LYS CB C 51 32.620 32.817 -0.197 1
1 590 . 11 1 1 A 51 51 LYS C C 51 177.670 179.211 -1.541 1
1 591 . 11 1 1 A 52 52 GLN N N 52 119.883 118.601 1.282 1
1 592 . 11 1 1 A 52 52 GLN H H 52 8.060 7.806 0.254 1
1 593 . 11 1 1 A 52 52 GLN CA C 52 56.866 58.391 -1.525 1
1 594 . 11 1 1 A 52 52 GLN HA H 52 4.213 4.086 0.127 1
1 595 . 11 1 1 A 52 52 GLN CB C 52 28.969 28.477 0.492 1
1 604 . 11 1 1 A 52 52 GLN C C 52 176.851 177.102 -0.251 1
1 605 . 11 1 1 A 53 53 LEU N N 53 121.489 121.568 -0.079 1
1 606 . 11 1 1 A 53 53 LEU H H 53 8.027 7.584 0.443 1
1 607 . 11 1 1 A 53 53 LEU CA C 53 55.826 54.774 1.052 1
1 608 . 11 1 1 A 53 53 LEU HA H 53 4.288 4.265 0.023 1
1 609 . 11 1 1 A 53 53 LEU CB C 53 42.379 41.235 1.144 1
1 622 . 11 1 1 A 53 53 LEU C C 53 177.973 175.743 2.230 1
1 623 . 11 1 1 A 54 54 GLU N N 54 120.395 125.255 -4.860 1
1 624 . 11 1 1 A 54 54 GLU H H 54 8.141 8.628 -0.487 1
1 625 . 11 1 1 A 54 54 GLU CA C 54 56.906 56.600 0.306 1
1 626 . 11 1 1 A 54 54 GLU HA H 54 4.291 4.451 -0.160 1
1 627 . 11 1 1 A 54 54 GLU CB C 54 30.228 30.224 0.004 1
1 633 . 11 1 1 A 54 54 GLU C C 54 176.762 176.572 0.190 1
1 634 . 11 1 1 A 55 55 SER N N 55 115.834 121.286 -5.452 1
1 635 . 11 1 1 A 55 55 SER H H 55 8.178 8.541 -0.363 1
1 636 . 11 1 1 A 55 55 SER CA C 55 58.606 59.842 -1.236 1
1 637 . 11 1 1 A 55 55 SER HA H 55 4.492 4.338 0.154 1
1 638 . 11 1 1 A 55 55 SER CB C 55 63.869 62.822 1.047 1
1 641 . 11 1 1 A 55 55 SER C C 55 174.614 174.006 0.608 1
1 642 . 11 1 1 A 56 56 GLY N N 56 110.601 113.267 -2.666 1
1 643 . 11 1 1 A 56 56 GLY H H 56 8.163 8.392 -0.229 1
1 644 . 11 1 1 A 56 56 GLY CA C 56 44.731 45.004 -0.273 1
1 645 . 11 1 1 A 56 56 GLY HA2 H 56 4.098 4.203 -0.105 1
1 646 . 11 1 1 A 56 56 GLY HA3 H 56 4.167 4.204 -0.037 1
1 647 . 11 1 1 A 56 56 GLY C C 56 171.805 171.532 0.273 1
1 648 . 11 1 1 A 57 57 PRO CA C 57 63.271 62.708 0.563 1
1 649 . 11 1 1 A 57 57 PRO HA H 57 4.475 4.724 -0.249 1
1 650 . 11 1 1 A 57 57 PRO CB C 57 32.133 31.530 0.603 1
1 659 . 11 1 1 A 57 57 PRO C C 57 177.422 177.006 0.416 1
1 660 . 11 1 1 A 58 58 SER N N 58 116.422 115.169 1.253 1
1 661 . 11 1 1 A 58 58 SER H H 58 8.524 8.468 0.056 1
1 662 . 11 1 1 A 58 58 SER CA C 58 58.457 57.787 0.670 1
1 663 . 11 1 1 A 58 58 SER HA H 58 4.494 4.691 -0.197 1
1 664 . 11 1 1 A 58 58 SER CB C 58 63.945 63.681 0.264 1
1 667 . 11 1 1 A 58 58 SER C C 58 174.720 173.696 1.024 1
1 668 . 11 1 1 A 59 59 SER N N 59 117.951 121.051 -3.100 1
1 669 . 11 1 1 A 59 59 SER H H 59 8.342 8.749 -0.407 1
1 670 . 11 1 1 A 59 59 SER CA C 59 58.327 56.624 1.703 1
1 671 . 11 1 1 A 59 59 SER HA H 59 4.491 4.834 -0.343 1
1 672 . 11 1 1 A 59 59 SER CB C 59 63.965 65.480 -1.515 1
1 675 . 11 1 1 A 59 59 SER C C 59 173.967 174.347 -0.380 1
1 1 . 12 1 1 A 5 5 SER N N 5 115.829 119.872 -4.043 1
1 2 . 12 1 1 A 5 5 SER CA C 5 58.317 59.224 -0.907 1
1 3 . 12 1 1 A 5 5 SER CB C 5 63.703 64.126 -0.423 1
1 4 . 12 1 1 A 5 5 SER C C 5 174.849 173.870 0.979 1
1 5 . 12 1 1 A 6 6 SER N N 6 117.994 118.638 -0.644 1
1 6 . 12 1 1 A 6 6 SER CA C 6 58.677 57.219 1.458 1
1 7 . 12 1 1 A 6 6 SER HA H 6 4.501 5.126 -0.625 1
1 8 . 12 1 1 A 6 6 SER CB C 6 63.732 64.840 -1.108 1
1 10 . 12 1 1 A 6 6 SER C C 6 175.043 173.720 1.323 1
1 11 . 12 1 1 A 7 7 GLY N N 7 110.716 111.682 -0.966 1
1 12 . 12 1 1 A 7 7 GLY H H 7 8.429 8.357 0.072 1
1 13 . 12 1 1 A 7 7 GLY CA C 7 45.403 44.406 0.997 1
1 14 . 12 1 1 A 7 7 GLY HA2 H 7 3.976 4.120 -0.144 1
1 15 . 12 1 1 A 7 7 GLY HA3 H 7 3.976 4.123 -0.147 1
1 16 . 12 1 1 A 7 7 GLY C C 7 174.231 173.058 1.173 1
1 17 . 12 1 1 A 8 8 LEU N N 8 121.547 117.286 4.261 1
1 18 . 12 1 1 A 8 8 LEU H H 8 8.132 8.436 -0.304 1
1 19 . 12 1 1 A 8 8 LEU CA C 8 55.233 54.156 1.077 1
1 20 . 12 1 1 A 8 8 LEU HA H 8 4.356 4.879 -0.523 1
1 21 . 12 1 1 A 8 8 LEU CB C 8 42.416 43.273 -0.857 1
1 31 . 12 1 1 A 8 8 LEU C C 8 177.479 176.037 1.442 1
1 32 . 12 1 1 A 9 9 ASP N N 9 120.983 119.376 1.607 1
1 33 . 12 1 1 A 9 9 ASP H H 9 8.413 8.791 -0.378 1
1 34 . 12 1 1 A 9 9 ASP CA C 9 54.826 52.337 2.489 1
1 35 . 12 1 1 A 9 9 ASP HA H 9 4.555 5.380 -0.825 1
1 36 . 12 1 1 A 9 9 ASP CB C 9 40.967 45.559 -4.592 1
1 39 . 12 1 1 A 9 9 ASP C C 9 176.609 174.246 2.363 1
1 40 . 12 1 1 A 10 10 SER N N 10 115.538 114.277 1.261 1
1 41 . 12 1 1 A 10 10 SER H H 10 8.146 8.610 -0.464 1
1 42 . 12 1 1 A 10 10 SER CA C 10 58.926 56.294 2.632 1
1 43 . 12 1 1 A 10 10 SER HA H 10 4.361 5.213 -0.852 1
1 44 . 12 1 1 A 10 10 SER CB C 10 63.924 65.744 -1.820 1
1 47 . 12 1 1 A 10 10 SER C C 10 174.922 175.172 -0.250 1
1 48 . 12 1 1 A 11 11 GLU N N 11 122.324 124.545 -2.221 1
1 49 . 12 1 1 A 11 11 GLU H H 11 8.416 9.219 -0.803 1
1 50 . 12 1 1 A 11 11 GLU CA C 11 56.763 59.003 -2.240 1
1 51 . 12 1 1 A 11 11 GLU HA H 11 4.262 3.631 0.631 1
1 52 . 12 1 1 A 11 11 GLU CB C 11 29.860 29.140 0.720 1
1 58 . 12 1 1 A 11 11 GLU C C 11 176.347 176.822 -0.475 1
1 59 . 12 1 1 A 12 12 LEU N N 12 121.580 116.985 4.595 1
1 60 . 12 1 1 A 12 12 LEU H H 12 7.957 8.009 -0.052 1
1 61 . 12 1 1 A 12 12 LEU CA C 12 54.921 56.299 -1.378 1
1 62 . 12 1 1 A 12 12 LEU HA H 12 4.311 3.883 0.428 1
1 63 . 12 1 1 A 12 12 LEU CB C 12 42.313 40.455 1.858 1
1 76 . 12 1 1 A 12 12 LEU C C 12 176.945 175.977 0.968 1
1 77 . 12 1 1 A 13 13 GLU N N 13 122.146 110.030 12.116 1
1 78 . 12 1 1 A 13 13 GLU H H 13 8.088 8.441 -0.353 1
1 79 . 12 1 1 A 13 13 GLU CA C 13 56.222 57.136 -0.914 1
1 80 . 12 1 1 A 13 13 GLU HA H 13 4.236 3.830 0.406 1
1 81 . 12 1 1 A 13 13 GLU CB C 13 30.332 27.381 2.951 1
1 86 . 12 1 1 A 13 13 GLU C C 13 175.667 175.892 -0.225 1
1 87 . 12 1 1 A 14 14 LEU N N 14 123.302 120.512 2.790 1
1 88 . 12 1 1 A 14 14 LEU H H 14 8.331 7.772 0.559 1
1 89 . 12 1 1 A 14 14 LEU CA C 14 52.689 53.698 -1.009 1
1 90 . 12 1 1 A 14 14 LEU HA H 14 4.376 4.078 0.298 1
1 91 . 12 1 1 A 14 14 LEU CB C 14 41.859 41.364 0.495 1
1 104 . 12 1 1 A 14 14 LEU C C 14 174.694 177.346 -2.652 1
1 105 . 12 1 1 A 15 15 PRO CA C 15 61.808 65.897 -4.089 1
1 106 . 12 1 1 A 15 15 PRO HA H 15 4.509 4.418 0.091 1
1 107 . 12 1 1 A 15 15 PRO CB C 15 31.501 31.537 -0.036 1
1 116 . 12 1 1 A 15 15 PRO C C 15 175.733 176.505 -0.772 1
1 117 . 12 1 1 A 16 16 ALA N N 16 123.226 117.054 6.172 1
1 118 . 12 1 1 A 16 16 ALA H H 16 8.427 8.070 0.357 1
1 119 . 12 1 1 A 16 16 ALA CA C 16 53.836 51.482 2.354 1
1 120 . 12 1 1 A 16 16 ALA HA H 16 4.235 4.788 -0.553 1
1 121 . 12 1 1 A 16 16 ALA CB C 16 18.391 22.768 -4.377 1
1 125 . 12 1 1 A 16 16 ALA C C 16 178.641 177.085 1.556 1
1 126 . 12 1 1 A 17 17 GLY N N 17 110.263 109.885 0.378 1
1 127 . 12 1 1 A 17 17 GLY H H 17 8.816 8.744 0.072 1
1 128 . 12 1 1 A 17 17 GLY CA C 17 45.465 46.065 -0.600 1
1 129 . 12 1 1 A 17 17 GLY HA2 H 17 3.759 3.734 0.025 1
1 130 . 12 1 1 A 17 17 GLY HA3 H 17 4.261 3.848 0.413 1
1 131 . 12 1 1 A 17 17 GLY C C 17 173.251 173.582 -0.331 1
1 132 . 12 1 1 A 18 18 TRP N N 18 118.263 119.246 -0.983 1
1 133 . 12 1 1 A 18 18 TRP H H 18 7.782 7.916 -0.134 1
1 134 . 12 1 1 A 18 18 TRP CA C 18 56.679 56.034 0.645 1
1 135 . 12 1 1 A 18 18 TRP HA H 18 5.840 5.149 0.691 1
1 136 . 12 1 1 A 18 18 TRP CB C 18 32.215 32.755 -0.540 1
1 151 . 12 1 1 A 18 18 TRP C C 18 177.038 174.876 2.162 1
1 152 . 12 1 1 A 19 19 GLU N N 19 122.023 123.756 -1.733 1
1 153 . 12 1 1 A 19 19 GLU H H 19 9.480 8.764 0.716 1
1 154 . 12 1 1 A 19 19 GLU CA C 19 55.126 55.072 0.054 1
1 155 . 12 1 1 A 19 19 GLU HA H 19 4.679 5.049 -0.370 1
1 156 . 12 1 1 A 19 19 GLU CB C 19 34.865 33.310 1.555 1
1 162 . 12 1 1 A 19 19 GLU C C 19 173.752 175.114 -1.362 1
1 163 . 12 1 1 A 20 20 LYS N N 20 127.008 128.076 -1.068 1
1 164 . 12 1 1 A 20 20 LYS H H 20 8.848 8.603 0.245 1
1 165 . 12 1 1 A 20 20 LYS CA C 20 55.531 56.614 -1.083 1
1 166 . 12 1 1 A 20 20 LYS HA H 20 4.379 4.717 -0.338 1
1 167 . 12 1 1 A 20 20 LYS CB C 20 33.946 32.755 1.191 1
1 178 . 12 1 1 A 20 20 LYS C C 20 174.530 174.994 -0.464 1
1 179 . 12 1 1 A 21 21 ILE N N 21 130.740 129.544 1.196 1
1 180 . 12 1 1 A 21 21 ILE H H 21 8.894 9.071 -0.177 1
1 181 . 12 1 1 A 21 21 ILE CA C 21 58.996 60.039 -1.043 1
1 182 . 12 1 1 A 21 21 ILE HA H 21 4.035 4.386 -0.351 1
1 183 . 12 1 1 A 21 21 ILE CB C 21 38.249 39.257 -1.008 1
1 196 . 12 1 1 A 21 21 ILE C C 21 173.612 174.454 -0.842 1
1 197 . 12 1 1 A 22 22 GLU N N 22 124.546 127.601 -3.055 1
1 198 . 12 1 1 A 22 22 GLU H H 22 8.273 8.819 -0.546 1
1 199 . 12 1 1 A 22 22 GLU CA C 22 54.652 55.316 -0.664 1
1 200 . 12 1 1 A 22 22 GLU HA H 22 4.429 4.681 -0.252 1
1 201 . 12 1 1 A 22 22 GLU CB C 22 29.876 30.900 -1.024 1
1 207 . 12 1 1 A 22 22 GLU C C 22 174.548 175.188 -0.640 1
1 208 . 12 1 1 A 23 23 ASP N N 23 128.325 126.017 2.308 1
1 209 . 12 1 1 A 23 23 ASP H H 23 8.368 8.821 -0.453 1
1 210 . 12 1 1 A 23 23 ASP CA C 23 51.555 50.504 1.051 1
1 211 . 12 1 1 A 23 23 ASP HA H 23 5.093 5.193 -0.100 1
1 212 . 12 1 1 A 23 23 ASP CB C 23 45.902 42.540 3.362 1
1 215 . 12 1 1 A 23 23 ASP C C 23 175.729 176.146 -0.417 1
1 216 . 12 1 1 A 24 24 PRO CA C 24 64.824 64.883 -0.059 1
1 217 . 12 1 1 A 24 24 PRO HA H 24 4.356 4.459 -0.103 1
1 218 . 12 1 1 A 24 24 PRO CB C 24 32.297 32.233 0.064 1
1 227 . 12 1 1 A 24 24 PRO C C 24 176.540 177.795 -1.255 1
1 228 . 12 1 1 A 25 25 VAL N N 25 118.640 116.313 2.327 1
1 229 . 12 1 1 A 25 25 VAL H H 25 8.485 7.812 0.673 1
1 230 . 12 1 1 A 25 25 VAL CA C 25 64.125 64.111 0.014 1
1 231 . 12 1 1 A 25 25 VAL HA H 25 3.856 3.942 -0.086 1
1 232 . 12 1 1 A 25 25 VAL CB C 25 33.098 32.543 0.555 1
1 242 . 12 1 1 A 25 25 VAL C C 25 177.626 177.396 0.230 1
1 243 . 12 1 1 A 26 26 TYR N N 26 117.602 117.150 0.452 1
1 244 . 12 1 1 A 26 26 TYR H H 26 8.632 8.320 0.312 1
1 245 . 12 1 1 A 26 26 TYR CA C 26 59.189 59.415 -0.226 1
1 246 . 12 1 1 A 26 26 TYR HA H 26 4.469 4.498 -0.029 1
1 247 . 12 1 1 A 26 26 TYR CB C 26 39.193 38.875 0.318 1
1 258 . 12 1 1 A 26 26 TYR C C 26 176.124 176.571 -0.447 1
1 259 . 12 1 1 A 27 27 GLY N N 27 110.042 106.624 3.418 1
1 260 . 12 1 1 A 27 27 GLY H H 27 8.181 7.951 0.230 1
1 261 . 12 1 1 A 27 27 GLY CA C 27 44.979 44.708 0.271 1
1 262 . 12 1 1 A 27 27 GLY HA2 H 27 3.890 4.118 -0.228 1
1 263 . 12 1 1 A 27 27 GLY HA3 H 27 4.390 4.133 0.257 1
1 264 . 12 1 1 A 27 27 GLY C C 27 173.043 173.352 -0.309 1
1 265 . 12 1 1 A 28 28 ILE N N 28 121.278 121.269 0.009 1
1 266 . 12 1 1 A 28 28 ILE H H 28 8.259 8.190 0.069 1
1 267 . 12 1 1 A 28 28 ILE CA C 28 60.867 60.966 -0.099 1
1 268 . 12 1 1 A 28 28 ILE HA H 28 4.900 4.796 0.104 1
1 269 . 12 1 1 A 28 28 ILE CB C 28 38.763 38.062 0.701 1
1 282 . 12 1 1 A 28 28 ILE C C 28 176.805 174.828 1.977 1
1 283 . 12 1 1 A 29 29 TYR N N 29 124.534 123.804 0.730 1
1 284 . 12 1 1 A 29 29 TYR H H 29 8.822 8.652 0.170 1
1 285 . 12 1 1 A 29 29 TYR CA C 29 56.332 55.344 0.988 1
1 286 . 12 1 1 A 29 29 TYR HA H 29 4.712 4.916 -0.204 1
1 287 . 12 1 1 A 29 29 TYR CB C 29 38.879 41.680 -2.801 1
1 298 . 12 1 1 A 29 29 TYR C C 29 170.710 171.908 -1.198 1
1 299 . 12 1 1 A 30 30 TYR N N 30 116.432 120.403 -3.971 1
1 300 . 12 1 1 A 30 30 TYR H H 30 8.981 8.923 0.058 1
1 301 . 12 1 1 A 30 30 TYR CA C 30 56.921 57.707 -0.786 1
1 302 . 12 1 1 A 30 30 TYR HA H 30 5.417 5.680 -0.263 1
1 303 . 12 1 1 A 30 30 TYR CB C 30 41.603 40.250 1.353 1
1 314 . 12 1 1 A 30 30 TYR C C 30 174.825 174.966 -0.141 1
1 315 . 12 1 1 A 31 31 VAL N N 31 121.385 123.681 -2.296 1
1 316 . 12 1 1 A 31 31 VAL H H 31 9.266 9.153 0.113 1
1 317 . 12 1 1 A 31 31 VAL CA C 31 60.346 59.724 0.622 1
1 318 . 12 1 1 A 31 31 VAL HA H 31 4.610 4.852 -0.242 1
1 319 . 12 1 1 A 31 31 VAL CB C 31 35.393 34.114 1.279 1
1 329 . 12 1 1 A 31 31 VAL C C 31 173.103 173.503 -0.400 1
1 330 . 12 1 1 A 32 32 ASP N N 32 126.129 127.115 -0.986 1
1 331 . 12 1 1 A 32 32 ASP H H 32 8.340 8.608 -0.268 1
1 332 . 12 1 1 A 32 32 ASP CA C 32 51.134 53.148 -2.014 1
1 333 . 12 1 1 A 32 32 ASP HA H 32 3.702 5.015 -1.313 1
1 334 . 12 1 1 A 32 32 ASP CB C 32 39.252 40.418 -1.166 1
1 337 . 12 1 1 A 32 32 ASP C C 32 177.731 175.921 1.810 1
1 338 . 12 1 1 A 33 33 HIS N N 33 121.984 121.795 0.189 1
1 339 . 12 1 1 A 33 33 HIS H H 33 8.728 8.042 0.686 1
1 340 . 12 1 1 A 33 33 HIS CA C 33 58.404 57.871 0.533 1
1 341 . 12 1 1 A 33 33 HIS HA H 33 4.218 4.365 -0.147 1
1 342 . 12 1 1 A 33 33 HIS CB C 33 30.594 29.130 1.464 1
1 349 . 12 1 1 A 33 33 HIS C C 33 176.844 175.656 1.188 1
1 350 . 12 1 1 A 34 34 ILE N N 34 120.023 118.338 1.685 1
1 351 . 12 1 1 A 34 34 ILE H H 34 8.090 7.560 0.530 1
1 352 . 12 1 1 A 34 34 ILE CA C 34 63.382 62.772 0.610 1
1 353 . 12 1 1 A 34 34 ILE HA H 34 3.845 4.004 -0.159 1
1 354 . 12 1 1 A 34 34 ILE CB C 34 37.023 38.882 -1.859 1
1 367 . 12 1 1 A 34 34 ILE C C 34 177.464 177.633 -0.169 1
1 368 . 12 1 1 A 35 35 ASN N N 35 115.543 117.627 -2.084 1
1 369 . 12 1 1 A 35 35 ASN H H 35 7.620 7.929 -0.309 1
1 370 . 12 1 1 A 35 35 ASN CA C 35 53.139 53.093 0.046 1
1 371 . 12 1 1 A 35 35 ASN HA H 35 4.587 4.660 -0.073 1
1 372 . 12 1 1 A 35 35 ASN CB C 35 38.909 38.532 0.377 1
1 378 . 12 1 1 A 35 35 ASN C C 35 173.887 174.407 -0.520 1
1 379 . 12 1 1 A 36 36 ARG N N 36 117.698 116.543 1.155 1
1 380 . 12 1 1 A 36 36 ARG H H 36 7.596 7.783 -0.187 1
1 381 . 12 1 1 A 36 36 ARG CA C 36 56.824 57.094 -0.270 1
1 382 . 12 1 1 A 36 36 ARG HA H 36 3.850 3.947 -0.097 1
1 383 . 12 1 1 A 36 36 ARG CB C 36 26.161 27.357 -1.196 1
1 390 . 12 1 1 A 36 36 ARG C C 36 174.732 174.687 0.045 1
1 391 . 12 1 1 A 37 37 LYS N N 37 117.773 114.315 3.458 1
1 392 . 12 1 1 A 37 37 LYS H H 37 7.471 7.466 0.005 1
1 393 . 12 1 1 A 37 37 LYS CA C 37 54.528 54.881 -0.353 1
1 394 . 12 1 1 A 37 37 LYS HA H 37 4.795 4.941 -0.146 1
1 395 . 12 1 1 A 37 37 LYS CB C 37 36.493 36.234 0.259 1
1 404 . 12 1 1 A 37 37 LYS C C 37 174.870 174.714 0.156 1
1 405 . 12 1 1 A 38 38 THR N N 38 114.635 112.300 2.335 1
1 406 . 12 1 1 A 38 38 THR H H 38 8.322 8.733 -0.411 1
1 407 . 12 1 1 A 38 38 THR CA C 38 60.506 60.627 -0.121 1
1 408 . 12 1 1 A 38 38 THR HA H 38 5.390 5.355 0.035 1
1 409 . 12 1 1 A 38 38 THR CB C 38 71.424 71.234 0.190 1
1 415 . 12 1 1 A 38 38 THR C C 38 173.840 173.774 0.066 1
1 416 . 12 1 1 A 39 39 GLN N N 39 117.672 121.951 -4.279 1
1 417 . 12 1 1 A 39 39 GLN H H 39 9.335 9.039 0.296 1
1 418 . 12 1 1 A 39 39 GLN CA C 39 54.878 54.519 0.359 1
1 419 . 12 1 1 A 39 39 GLN HA H 39 4.899 5.123 -0.224 1
1 420 . 12 1 1 A 39 39 GLN CB C 39 32.186 32.389 -0.203 1
1 429 . 12 1 1 A 39 39 GLN C C 39 174.549 175.367 -0.818 1
1 430 . 12 1 1 A 40 40 TYR N N 40 119.391 120.730 -1.339 1
1 431 . 12 1 1 A 40 40 TYR H H 40 8.858 9.258 -0.400 1
1 432 . 12 1 1 A 40 40 TYR CA C 40 60.804 60.520 0.284 1
1 433 . 12 1 1 A 40 40 TYR HA H 40 4.752 4.391 0.361 1
1 434 . 12 1 1 A 40 40 TYR CB C 40 39.167 39.114 0.053 1
1 445 . 12 1 1 A 40 40 TYR C C 40 176.295 176.893 -0.598 1
1 446 . 12 1 1 A 41 41 GLU N N 41 119.491 118.132 1.359 1
1 447 . 12 1 1 A 41 41 GLU H H 41 8.079 8.006 0.073 1
1 448 . 12 1 1 A 41 41 GLU CA C 41 56.296 57.198 -0.902 1
1 449 . 12 1 1 A 41 41 GLU HA H 41 4.351 4.272 0.079 1
1 450 . 12 1 1 A 41 41 GLU CB C 41 30.517 30.007 0.510 1
1 456 . 12 1 1 A 41 41 GLU C C 41 175.460 176.471 -1.011 1
1 457 . 12 1 1 A 42 42 ASN N N 42 125.050 124.988 0.062 1
1 458 . 12 1 1 A 42 42 ASN H H 42 8.720 8.810 -0.090 1
1 459 . 12 1 1 A 42 42 ASN CA C 42 51.186 51.167 0.019 1
1 460 . 12 1 1 A 42 42 ASN HA H 42 2.979 4.787 -1.808 1
1 461 . 12 1 1 A 42 42 ASN CB C 42 38.637 39.178 -0.541 1
1 467 . 12 1 1 A 42 42 ASN C C 42 174.950 175.564 -0.614 1
1 468 . 12 1 1 A 43 43 PRO CA C 43 63.681 64.769 -1.088 1
1 469 . 12 1 1 A 43 43 PRO HA H 43 3.869 4.209 -0.340 1
1 470 . 12 1 1 A 43 43 PRO CB C 43 31.408 31.278 0.130 1
1 479 . 12 1 1 A 43 43 PRO C C 43 178.273 178.577 -0.304 1
1 480 . 12 1 1 A 44 44 VAL N N 44 119.901 115.980 3.921 1
1 481 . 12 1 1 A 44 44 VAL H H 44 7.968 7.069 0.899 1
1 482 . 12 1 1 A 44 44 VAL CA C 44 64.744 65.586 -0.842 1
1 483 . 12 1 1 A 44 44 VAL HA H 44 3.646 3.599 0.047 1
1 484 . 12 1 1 A 44 44 VAL CB C 44 31.581 31.118 0.463 1
1 494 . 12 1 1 A 44 44 VAL C C 44 177.625 178.143 -0.518 1
1 495 . 12 1 1 A 45 45 LEU N N 45 120.711 119.766 0.945 1
1 496 . 12 1 1 A 45 45 LEU H H 45 7.076 8.044 -0.968 1
1 497 . 12 1 1 A 45 45 LEU CA C 45 56.822 58.428 -1.606 1
1 498 . 12 1 1 A 45 45 LEU HA H 45 3.994 3.851 0.143 1
1 499 . 12 1 1 A 45 45 LEU CB C 45 41.194 41.429 -0.235 1
1 512 . 12 1 1 A 45 45 LEU C C 45 179.099 178.723 0.376 1
1 513 . 12 1 1 A 46 46 GLU N N 46 120.581 119.235 1.346 1
1 514 . 12 1 1 A 46 46 GLU H H 46 8.001 7.933 0.068 1
1 515 . 12 1 1 A 46 46 GLU CA C 46 58.462 59.498 -1.036 1
1 516 . 12 1 1 A 46 46 GLU HA H 46 3.961 3.995 -0.034 1
1 517 . 12 1 1 A 46 46 GLU CB C 46 29.956 29.289 0.667 1
1 523 . 12 1 1 A 46 46 GLU C C 46 177.685 178.398 -0.713 1
1 524 . 12 1 1 A 47 47 ALA N N 47 121.265 121.203 0.062 1
1 525 . 12 1 1 A 47 47 ALA H H 47 7.625 8.047 -0.422 1
1 526 . 12 1 1 A 47 47 ALA CA C 47 54.438 55.001 -0.563 1
1 527 . 12 1 1 A 47 47 ALA HA H 47 4.082 4.087 -0.005 1
1 528 . 12 1 1 A 47 47 ALA CB C 47 18.192 18.715 -0.523 1
1 532 . 12 1 1 A 47 47 ALA C C 47 179.879 179.689 0.190 1
1 533 . 12 1 1 A 48 48 LYS N N 48 118.414 116.865 1.549 1
1 534 . 12 1 1 A 48 48 LYS H H 48 7.776 8.069 -0.293 1
1 535 . 12 1 1 A 48 48 LYS CA C 48 58.491 58.881 -0.390 1
1 536 . 12 1 1 A 48 48 LYS HA H 48 4.063 4.074 -0.011 1
1 537 . 12 1 1 A 48 48 LYS CB C 48 32.565 31.564 1.001 1
1 547 . 12 1 1 A 48 48 LYS C C 48 178.235 178.167 0.068 1
1 548 . 12 1 1 A 49 49 ARG N N 49 120.324 119.878 0.446 1
1 549 . 12 1 1 A 49 49 ARG H H 49 7.968 7.949 0.019 1
1 550 . 12 1 1 A 49 49 ARG CA C 49 58.156 58.477 -0.321 1
1 551 . 12 1 1 A 49 49 ARG HA H 49 4.140 4.140 0.000 1
1 552 . 12 1 1 A 49 49 ARG CB C 49 30.349 30.327 0.022 1
1 561 . 12 1 1 A 49 49 ARG C C 49 177.985 178.133 -0.148 1
1 562 . 12 1 1 A 50 50 LYS N N 50 120.001 117.587 2.414 1
1 563 . 12 1 1 A 50 50 LYS H H 50 8.051 8.394 -0.343 1
1 564 . 12 1 1 A 50 50 LYS CA C 50 58.185 58.132 0.053 1
1 565 . 12 1 1 A 50 50 LYS HA H 50 4.099 4.213 -0.114 1
1 566 . 12 1 1 A 50 50 LYS CB C 50 32.645 32.772 -0.127 1
1 575 . 12 1 1 A 50 50 LYS C C 50 177.791 178.415 -0.624 1
1 576 . 12 1 1 A 51 51 LYS N N 51 120.458 119.745 0.713 1
1 577 . 12 1 1 A 51 51 LYS H H 51 7.915 8.388 -0.473 1
1 578 . 12 1 1 A 51 51 LYS CA C 51 57.452 58.506 -1.054 1
1 579 . 12 1 1 A 51 51 LYS HA H 51 4.189 4.231 -0.042 1
1 580 . 12 1 1 A 51 51 LYS CB C 51 32.620 32.753 -0.133 1
1 590 . 12 1 1 A 51 51 LYS C C 51 177.670 179.306 -1.636 1
1 591 . 12 1 1 A 52 52 GLN N N 52 119.883 118.307 1.576 1
1 592 . 12 1 1 A 52 52 GLN H H 52 8.060 7.935 0.125 1
1 593 . 12 1 1 A 52 52 GLN CA C 52 56.866 58.461 -1.595 1
1 594 . 12 1 1 A 52 52 GLN HA H 52 4.213 4.156 0.057 1
1 595 . 12 1 1 A 52 52 GLN CB C 52 28.969 28.395 0.574 1
1 604 . 12 1 1 A 52 52 GLN C C 52 176.851 176.998 -0.147 1
1 605 . 12 1 1 A 53 53 LEU N N 53 121.489 122.195 -0.706 1
1 606 . 12 1 1 A 53 53 LEU H H 53 8.027 7.463 0.564 1
1 607 . 12 1 1 A 53 53 LEU CA C 53 55.826 56.050 -0.224 1
1 608 . 12 1 1 A 53 53 LEU HA H 53 4.288 4.127 0.161 1
1 609 . 12 1 1 A 53 53 LEU CB C 53 42.379 42.001 0.378 1
1 622 . 12 1 1 A 53 53 LEU C C 53 177.973 176.417 1.556 1
1 623 . 12 1 1 A 54 54 GLU N N 54 120.395 124.937 -4.542 1
1 624 . 12 1 1 A 54 54 GLU H H 54 8.141 8.656 -0.515 1
1 625 . 12 1 1 A 54 54 GLU CA C 54 56.906 55.743 1.163 1
1 626 . 12 1 1 A 54 54 GLU HA H 54 4.291 4.743 -0.452 1
1 627 . 12 1 1 A 54 54 GLU CB C 54 30.228 30.798 -0.570 1
1 633 . 12 1 1 A 54 54 GLU C C 54 176.762 175.982 0.780 1
1 634 . 12 1 1 A 55 55 SER N N 55 115.834 118.538 -2.704 1
1 635 . 12 1 1 A 55 55 SER H H 55 8.178 8.504 -0.326 1
1 636 . 12 1 1 A 55 55 SER CA C 55 58.606 57.217 1.389 1
1 637 . 12 1 1 A 55 55 SER HA H 55 4.492 5.195 -0.703 1
1 638 . 12 1 1 A 55 55 SER CB C 55 63.869 67.686 -3.817 1
1 641 . 12 1 1 A 55 55 SER C C 55 174.614 173.072 1.542 1
1 642 . 12 1 1 A 56 56 GLY N N 56 110.601 110.656 -0.055 1
1 643 . 12 1 1 A 56 56 GLY H H 56 8.163 8.408 -0.245 1
1 644 . 12 1 1 A 56 56 GLY CA C 56 44.731 44.140 0.591 1
1 645 . 12 1 1 A 56 56 GLY HA2 H 56 4.098 4.116 -0.018 1
1 646 . 12 1 1 A 56 56 GLY HA3 H 56 4.167 4.116 0.051 1
1 647 . 12 1 1 A 56 56 GLY C C 56 171.805 174.131 -2.326 1
1 648 . 12 1 1 A 57 57 PRO CA C 57 63.271 63.931 -0.660 1
1 649 . 12 1 1 A 57 57 PRO HA H 57 4.475 4.510 -0.035 1
1 650 . 12 1 1 A 57 57 PRO CB C 57 32.133 31.909 0.224 1
1 659 . 12 1 1 A 57 57 PRO C C 57 177.422 175.890 1.532 1
1 660 . 12 1 1 A 58 58 SER N N 58 116.422 113.427 2.995 1
1 661 . 12 1 1 A 58 58 SER H H 58 8.524 7.622 0.902 1
1 662 . 12 1 1 A 58 58 SER CA C 58 58.457 56.645 1.812 1
1 663 . 12 1 1 A 58 58 SER HA H 58 4.494 4.901 -0.407 1
1 664 . 12 1 1 A 58 58 SER CB C 58 63.945 65.376 -1.431 1
1 667 . 12 1 1 A 58 58 SER C C 58 174.720 172.619 2.101 1
1 668 . 12 1 1 A 59 59 SER N N 59 117.951 121.200 -3.249 1
1 669 . 12 1 1 A 59 59 SER H H 59 8.342 8.905 -0.563 1
1 670 . 12 1 1 A 59 59 SER CA C 59 58.327 56.682 1.645 1
1 671 . 12 1 1 A 59 59 SER HA H 59 4.491 5.374 -0.883 1
1 672 . 12 1 1 A 59 59 SER CB C 59 63.965 66.144 -2.179 1
1 675 . 12 1 1 A 59 59 SER C C 59 173.967 173.066 0.901 1
1 1 . 13 1 1 A 5 5 SER N N 5 115.829 115.752 0.077 1
1 2 . 13 1 1 A 5 5 SER CA C 5 58.317 62.072 -3.755 1
1 3 . 13 1 1 A 5 5 SER CB C 5 63.703 63.540 0.163 1
1 4 . 13 1 1 A 5 5 SER C C 5 174.849 174.833 0.016 1
1 5 . 13 1 1 A 6 6 SER N N 6 117.994 113.727 4.267 1
1 6 . 13 1 1 A 6 6 SER CA C 6 58.677 58.569 0.108 1
1 7 . 13 1 1 A 6 6 SER HA H 6 4.501 4.385 0.116 1
1 8 . 13 1 1 A 6 6 SER CB C 6 63.732 62.863 0.869 1
1 10 . 13 1 1 A 6 6 SER C C 6 175.043 174.574 0.469 1
1 11 . 13 1 1 A 7 7 GLY N N 7 110.716 111.481 -0.765 1
1 12 . 13 1 1 A 7 7 GLY H H 7 8.429 8.661 -0.232 1
1 13 . 13 1 1 A 7 7 GLY CA C 7 45.403 47.084 -1.681 1
1 14 . 13 1 1 A 7 7 GLY HA2 H 7 3.976 3.941 0.035 1
1 15 . 13 1 1 A 7 7 GLY HA3 H 7 3.976 3.980 -0.004 1
1 16 . 13 1 1 A 7 7 GLY C C 7 174.231 175.594 -1.363 1
1 17 . 13 1 1 A 8 8 LEU N N 8 121.547 121.695 -0.148 1
1 18 . 13 1 1 A 8 8 LEU H H 8 8.132 8.169 -0.037 1
1 19 . 13 1 1 A 8 8 LEU CA C 8 55.233 58.030 -2.797 1
1 20 . 13 1 1 A 8 8 LEU HA H 8 4.356 3.940 0.416 1
1 21 . 13 1 1 A 8 8 LEU CB C 8 42.416 41.648 0.768 1
1 31 . 13 1 1 A 8 8 LEU C C 8 177.479 176.886 0.593 1
1 32 . 13 1 1 A 9 9 ASP N N 9 120.983 121.523 -0.540 1
1 33 . 13 1 1 A 9 9 ASP H H 9 8.413 7.601 0.812 1
1 34 . 13 1 1 A 9 9 ASP CA C 9 54.826 54.880 -0.054 1
1 35 . 13 1 1 A 9 9 ASP HA H 9 4.555 4.593 -0.038 1
1 36 . 13 1 1 A 9 9 ASP CB C 9 40.967 41.215 -0.248 1
1 39 . 13 1 1 A 9 9 ASP C C 9 176.609 176.169 0.440 1
1 40 . 13 1 1 A 10 10 SER N N 10 115.538 114.242 1.296 1
1 41 . 13 1 1 A 10 10 SER H H 10 8.146 8.640 -0.494 1
1 42 . 13 1 1 A 10 10 SER CA C 10 58.926 56.851 2.075 1
1 43 . 13 1 1 A 10 10 SER HA H 10 4.361 4.965 -0.604 1
1 44 . 13 1 1 A 10 10 SER CB C 10 63.924 66.242 -2.318 1
1 47 . 13 1 1 A 10 10 SER C C 10 174.922 175.061 -0.139 1
1 48 . 13 1 1 A 11 11 GLU N N 11 122.324 120.466 1.858 1
1 49 . 13 1 1 A 11 11 GLU H H 11 8.416 9.081 -0.665 1
1 50 . 13 1 1 A 11 11 GLU CA C 11 56.763 58.974 -2.211 1
1 51 . 13 1 1 A 11 11 GLU HA H 11 4.262 3.674 0.588 1
1 52 . 13 1 1 A 11 11 GLU CB C 11 29.860 29.223 0.637 1
1 58 . 13 1 1 A 11 11 GLU C C 11 176.347 176.805 -0.458 1
1 59 . 13 1 1 A 12 12 LEU N N 12 121.580 117.035 4.545 1
1 60 . 13 1 1 A 12 12 LEU H H 12 7.957 8.010 -0.053 1
1 61 . 13 1 1 A 12 12 LEU CA C 12 54.921 56.301 -1.380 1
1 62 . 13 1 1 A 12 12 LEU HA H 12 4.311 3.887 0.424 1
1 63 . 13 1 1 A 12 12 LEU CB C 12 42.313 40.502 1.811 1
1 76 . 13 1 1 A 12 12 LEU C C 12 176.945 175.925 1.020 1
1 77 . 13 1 1 A 13 13 GLU N N 13 122.146 110.046 12.100 1
1 78 . 13 1 1 A 13 13 GLU H H 13 8.088 8.446 -0.358 1
1 79 . 13 1 1 A 13 13 GLU CA C 13 56.222 57.103 -0.881 1
1 80 . 13 1 1 A 13 13 GLU HA H 13 4.236 3.788 0.448 1
1 81 . 13 1 1 A 13 13 GLU CB C 13 30.332 27.543 2.789 1
1 86 . 13 1 1 A 13 13 GLU C C 13 175.667 175.871 -0.204 1
1 87 . 13 1 1 A 14 14 LEU N N 14 123.302 120.304 2.998 1
1 88 . 13 1 1 A 14 14 LEU H H 14 8.331 7.813 0.518 1
1 89 . 13 1 1 A 14 14 LEU CA C 14 52.689 53.744 -1.055 1
1 90 . 13 1 1 A 14 14 LEU HA H 14 4.376 4.068 0.308 1
1 91 . 13 1 1 A 14 14 LEU CB C 14 41.859 41.390 0.469 1
1 104 . 13 1 1 A 14 14 LEU C C 14 174.694 177.342 -2.648 1
1 105 . 13 1 1 A 15 15 PRO CA C 15 61.808 65.895 -4.087 1
1 106 . 13 1 1 A 15 15 PRO HA H 15 4.509 4.419 0.090 1
1 107 . 13 1 1 A 15 15 PRO CB C 15 31.501 31.539 -0.038 1
1 116 . 13 1 1 A 15 15 PRO C C 15 175.733 176.511 -0.778 1
1 117 . 13 1 1 A 16 16 ALA N N 16 123.226 117.056 6.170 1
1 118 . 13 1 1 A 16 16 ALA H H 16 8.427 8.077 0.350 1
1 119 . 13 1 1 A 16 16 ALA CA C 16 53.836 51.503 2.333 1
1 120 . 13 1 1 A 16 16 ALA HA H 16 4.235 4.800 -0.565 1
1 121 . 13 1 1 A 16 16 ALA CB C 16 18.391 22.782 -4.391 1
1 125 . 13 1 1 A 16 16 ALA C C 16 178.641 177.120 1.521 1
1 126 . 13 1 1 A 17 17 GLY N N 17 110.263 110.051 0.212 1
1 127 . 13 1 1 A 17 17 GLY H H 17 8.816 8.758 0.058 1
1 128 . 13 1 1 A 17 17 GLY CA C 17 45.465 46.139 -0.674 1
1 129 . 13 1 1 A 17 17 GLY HA2 H 17 3.759 3.781 -0.022 1
1 130 . 13 1 1 A 17 17 GLY HA3 H 17 4.261 3.886 0.375 1
1 131 . 13 1 1 A 17 17 GLY C C 17 173.251 173.824 -0.573 1
1 132 . 13 1 1 A 18 18 TRP N N 18 118.263 119.469 -1.206 1
1 133 . 13 1 1 A 18 18 TRP H H 18 7.782 8.005 -0.223 1
1 134 . 13 1 1 A 18 18 TRP CA C 18 56.679 55.832 0.847 1
1 135 . 13 1 1 A 18 18 TRP HA H 18 5.840 5.186 0.654 1
1 136 . 13 1 1 A 18 18 TRP CB C 18 32.215 33.112 -0.897 1
1 151 . 13 1 1 A 18 18 TRP C C 18 177.038 174.975 2.063 1
1 152 . 13 1 1 A 19 19 GLU N N 19 122.023 123.004 -0.981 1
1 153 . 13 1 1 A 19 19 GLU H H 19 9.480 8.624 0.856 1
1 154 . 13 1 1 A 19 19 GLU CA C 19 55.126 55.247 -0.121 1
1 155 . 13 1 1 A 19 19 GLU HA H 19 4.679 4.972 -0.293 1
1 156 . 13 1 1 A 19 19 GLU CB C 19 34.865 33.707 1.158 1
1 162 . 13 1 1 A 19 19 GLU C C 19 173.752 174.530 -0.778 1
1 163 . 13 1 1 A 20 20 LYS N N 20 127.008 126.522 0.486 1
1 164 . 13 1 1 A 20 20 LYS H H 20 8.848 8.732 0.116 1
1 165 . 13 1 1 A 20 20 LYS CA C 20 55.531 55.675 -0.144 1
1 166 . 13 1 1 A 20 20 LYS HA H 20 4.379 4.995 -0.616 1
1 167 . 13 1 1 A 20 20 LYS CB C 20 33.946 33.912 0.034 1
1 178 . 13 1 1 A 20 20 LYS C C 20 174.530 175.173 -0.643 1
1 179 . 13 1 1 A 21 21 ILE N N 21 130.740 129.167 1.573 1
1 180 . 13 1 1 A 21 21 ILE H H 21 8.894 9.113 -0.219 1
1 181 . 13 1 1 A 21 21 ILE CA C 21 58.996 60.005 -1.009 1
1 182 . 13 1 1 A 21 21 ILE HA H 21 4.035 4.440 -0.405 1
1 183 . 13 1 1 A 21 21 ILE CB C 21 38.249 38.266 -0.017 1
1 196 . 13 1 1 A 21 21 ILE C C 21 173.612 174.410 -0.798 1
1 197 . 13 1 1 A 22 22 GLU N N 22 124.546 127.427 -2.881 1
1 198 . 13 1 1 A 22 22 GLU H H 22 8.273 8.853 -0.580 1
1 199 . 13 1 1 A 22 22 GLU CA C 22 54.652 55.152 -0.500 1
1 200 . 13 1 1 A 22 22 GLU HA H 22 4.429 4.635 -0.206 1
1 201 . 13 1 1 A 22 22 GLU CB C 22 29.876 30.977 -1.101 1
1 207 . 13 1 1 A 22 22 GLU C C 22 174.548 175.196 -0.648 1
1 208 . 13 1 1 A 23 23 ASP N N 23 128.325 126.111 2.214 1
1 209 . 13 1 1 A 23 23 ASP H H 23 8.368 8.817 -0.449 1
1 210 . 13 1 1 A 23 23 ASP CA C 23 51.555 50.471 1.084 1
1 211 . 13 1 1 A 23 23 ASP HA H 23 5.093 5.174 -0.081 1
1 212 . 13 1 1 A 23 23 ASP CB C 23 45.902 42.512 3.390 1
1 215 . 13 1 1 A 23 23 ASP C C 23 175.729 176.154 -0.425 1
1 216 . 13 1 1 A 24 24 PRO CA C 24 64.824 64.856 -0.032 1
1 217 . 13 1 1 A 24 24 PRO HA H 24 4.356 4.419 -0.063 1
1 218 . 13 1 1 A 24 24 PRO CB C 24 32.297 32.196 0.101 1
1 227 . 13 1 1 A 24 24 PRO C C 24 176.540 178.066 -1.526 1
1 228 . 13 1 1 A 25 25 VAL N N 25 118.640 116.144 2.496 1
1 229 . 13 1 1 A 25 25 VAL H H 25 8.485 7.711 0.774 1
1 230 . 13 1 1 A 25 25 VAL CA C 25 64.125 64.363 -0.238 1
1 231 . 13 1 1 A 25 25 VAL HA H 25 3.856 3.898 -0.042 1
1 232 . 13 1 1 A 25 25 VAL CB C 25 33.098 32.187 0.911 1
1 242 . 13 1 1 A 25 25 VAL C C 25 177.626 177.404 0.222 1
1 243 . 13 1 1 A 26 26 TYR N N 26 117.602 117.187 0.415 1
1 244 . 13 1 1 A 26 26 TYR H H 26 8.632 8.273 0.359 1
1 245 . 13 1 1 A 26 26 TYR CA C 26 59.189 59.770 -0.581 1
1 246 . 13 1 1 A 26 26 TYR HA H 26 4.469 4.513 -0.044 1
1 247 . 13 1 1 A 26 26 TYR CB C 26 39.193 38.986 0.207 1
1 258 . 13 1 1 A 26 26 TYR C C 26 176.124 176.553 -0.429 1
1 259 . 13 1 1 A 27 27 GLY N N 27 110.042 106.452 3.590 1
1 260 . 13 1 1 A 27 27 GLY H H 27 8.181 7.967 0.214 1
1 261 . 13 1 1 A 27 27 GLY CA C 27 44.979 44.423 0.556 1
1 262 . 13 1 1 A 27 27 GLY HA2 H 27 3.890 4.115 -0.225 1
1 263 . 13 1 1 A 27 27 GLY HA3 H 27 4.390 4.164 0.226 1
1 264 . 13 1 1 A 27 27 GLY C C 27 173.043 173.151 -0.108 1
1 265 . 13 1 1 A 28 28 ILE N N 28 121.278 121.245 0.033 1
1 266 . 13 1 1 A 28 28 ILE H H 28 8.259 8.228 0.031 1
1 267 . 13 1 1 A 28 28 ILE CA C 28 60.867 61.059 -0.192 1
1 268 . 13 1 1 A 28 28 ILE HA H 28 4.900 4.591 0.309 1
1 269 . 13 1 1 A 28 28 ILE CB C 28 38.763 37.846 0.917 1
1 282 . 13 1 1 A 28 28 ILE C C 28 176.805 174.846 1.959 1
1 283 . 13 1 1 A 29 29 TYR N N 29 124.534 123.773 0.761 1
1 284 . 13 1 1 A 29 29 TYR H H 29 8.822 8.612 0.210 1
1 285 . 13 1 1 A 29 29 TYR CA C 29 56.332 55.188 1.144 1
1 286 . 13 1 1 A 29 29 TYR HA H 29 4.712 4.926 -0.214 1
1 287 . 13 1 1 A 29 29 TYR CB C 29 38.879 41.577 -2.698 1
1 298 . 13 1 1 A 29 29 TYR C C 29 170.710 172.061 -1.351 1
1 299 . 13 1 1 A 30 30 TYR N N 30 116.432 120.484 -4.052 1
1 300 . 13 1 1 A 30 30 TYR H H 30 8.981 8.434 0.547 1
1 301 . 13 1 1 A 30 30 TYR CA C 30 56.921 57.536 -0.615 1
1 302 . 13 1 1 A 30 30 TYR HA H 30 5.417 5.631 -0.214 1
1 303 . 13 1 1 A 30 30 TYR CB C 30 41.603 40.114 1.489 1
1 314 . 13 1 1 A 30 30 TYR C C 30 174.825 175.193 -0.368 1
1 315 . 13 1 1 A 31 31 VAL N N 31 121.385 123.566 -2.181 1
1 316 . 13 1 1 A 31 31 VAL H H 31 9.266 9.094 0.172 1
1 317 . 13 1 1 A 31 31 VAL CA C 31 60.346 59.760 0.586 1
1 318 . 13 1 1 A 31 31 VAL HA H 31 4.610 4.883 -0.273 1
1 319 . 13 1 1 A 31 31 VAL CB C 31 35.393 34.132 1.261 1
1 329 . 13 1 1 A 31 31 VAL C C 31 173.103 173.825 -0.722 1
1 330 . 13 1 1 A 32 32 ASP N N 32 126.129 128.670 -2.541 1
1 331 . 13 1 1 A 32 32 ASP H H 32 8.340 9.031 -0.691 1
1 332 . 13 1 1 A 32 32 ASP CA C 32 51.134 52.030 -0.896 1
1 333 . 13 1 1 A 32 32 ASP HA H 32 3.702 4.284 -0.582 1
1 334 . 13 1 1 A 32 32 ASP CB C 32 39.252 40.593 -1.341 1
1 337 . 13 1 1 A 32 32 ASP C C 32 177.731 176.694 1.037 1
1 338 . 13 1 1 A 33 33 HIS N N 33 121.984 122.594 -0.610 1
1 339 . 13 1 1 A 33 33 HIS H H 33 8.728 7.802 0.926 1
1 340 . 13 1 1 A 33 33 HIS CA C 33 58.404 56.824 1.580 1
1 341 . 13 1 1 A 33 33 HIS HA H 33 4.218 4.554 -0.336 1
1 342 . 13 1 1 A 33 33 HIS CB C 33 30.594 29.016 1.578 1
1 349 . 13 1 1 A 33 33 HIS C C 33 176.844 175.923 0.921 1
1 350 . 13 1 1 A 34 34 ILE N N 34 120.023 117.466 2.557 1
1 351 . 13 1 1 A 34 34 ILE H H 34 8.090 7.884 0.206 1
1 352 . 13 1 1 A 34 34 ILE CA C 34 63.382 61.862 1.520 1
1 353 . 13 1 1 A 34 34 ILE HA H 34 3.845 4.047 -0.202 1
1 354 . 13 1 1 A 34 34 ILE CB C 34 37.023 39.684 -2.661 1
1 367 . 13 1 1 A 34 34 ILE C C 34 177.464 177.169 0.295 1
1 368 . 13 1 1 A 35 35 ASN N N 35 115.543 117.650 -2.107 1
1 369 . 13 1 1 A 35 35 ASN H H 35 7.620 7.742 -0.122 1
1 370 . 13 1 1 A 35 35 ASN CA C 35 53.139 52.696 0.443 1
1 371 . 13 1 1 A 35 35 ASN HA H 35 4.587 4.861 -0.274 1
1 372 . 13 1 1 A 35 35 ASN CB C 35 38.909 38.660 0.249 1
1 378 . 13 1 1 A 35 35 ASN C C 35 173.887 174.066 -0.179 1
1 379 . 13 1 1 A 36 36 ARG N N 36 117.698 116.106 1.592 1
1 380 . 13 1 1 A 36 36 ARG H H 36 7.596 7.435 0.161 1
1 381 . 13 1 1 A 36 36 ARG CA C 36 56.824 56.979 -0.155 1
1 382 . 13 1 1 A 36 36 ARG HA H 36 3.850 3.793 0.057 1
1 383 . 13 1 1 A 36 36 ARG CB C 36 26.161 27.620 -1.459 1
1 390 . 13 1 1 A 36 36 ARG C C 36 174.732 174.707 0.025 1
1 391 . 13 1 1 A 37 37 LYS N N 37 117.773 114.337 3.436 1
1 392 . 13 1 1 A 37 37 LYS H H 37 7.471 7.050 0.421 1
1 393 . 13 1 1 A 37 37 LYS CA C 37 54.528 54.763 -0.235 1
1 394 . 13 1 1 A 37 37 LYS HA H 37 4.795 4.969 -0.174 1
1 395 . 13 1 1 A 37 37 LYS CB C 37 36.493 36.194 0.299 1
1 404 . 13 1 1 A 37 37 LYS C C 37 174.870 174.586 0.284 1
1 405 . 13 1 1 A 38 38 THR N N 38 114.635 110.575 4.060 1
1 406 . 13 1 1 A 38 38 THR H H 38 8.322 8.591 -0.269 1
1 407 . 13 1 1 A 38 38 THR CA C 38 60.506 60.134 0.372 1
1 408 . 13 1 1 A 38 38 THR HA H 38 5.390 5.277 0.113 1
1 409 . 13 1 1 A 38 38 THR CB C 38 71.424 72.050 -0.626 1
1 415 . 13 1 1 A 38 38 THR C C 38 173.840 173.502 0.338 1
1 416 . 13 1 1 A 39 39 GLN N N 39 117.672 120.790 -3.118 1
1 417 . 13 1 1 A 39 39 GLN H H 39 9.335 8.427 0.908 1
1 418 . 13 1 1 A 39 39 GLN CA C 39 54.878 54.150 0.728 1
1 419 . 13 1 1 A 39 39 GLN HA H 39 4.899 5.052 -0.153 1
1 420 . 13 1 1 A 39 39 GLN CB C 39 32.186 31.547 0.639 1
1 429 . 13 1 1 A 39 39 GLN C C 39 174.549 174.599 -0.050 1
1 430 . 13 1 1 A 40 40 TYR N N 40 119.391 117.774 1.617 1
1 431 . 13 1 1 A 40 40 TYR H H 40 8.858 8.639 0.219 1
1 432 . 13 1 1 A 40 40 TYR CA C 40 60.804 59.383 1.421 1
1 433 . 13 1 1 A 40 40 TYR HA H 40 4.752 4.646 0.106 1
1 434 . 13 1 1 A 40 40 TYR CB C 40 39.167 40.103 -0.936 1
1 445 . 13 1 1 A 40 40 TYR C C 40 176.295 176.321 -0.026 1
1 446 . 13 1 1 A 41 41 GLU N N 41 119.491 118.427 1.064 1
1 447 . 13 1 1 A 41 41 GLU H H 41 8.079 8.124 -0.045 1
1 448 . 13 1 1 A 41 41 GLU CA C 41 56.296 56.930 -0.634 1
1 449 . 13 1 1 A 41 41 GLU HA H 41 4.351 4.388 -0.037 1
1 450 . 13 1 1 A 41 41 GLU CB C 41 30.517 30.207 0.310 1
1 456 . 13 1 1 A 41 41 GLU C C 41 175.460 176.156 -0.696 1
1 457 . 13 1 1 A 42 42 ASN N N 42 125.050 125.977 -0.927 1
1 458 . 13 1 1 A 42 42 ASN H H 42 8.720 8.707 0.013 1
1 459 . 13 1 1 A 42 42 ASN CA C 42 51.186 51.273 -0.087 1
1 460 . 13 1 1 A 42 42 ASN HA H 42 2.979 4.647 -1.668 1
1 461 . 13 1 1 A 42 42 ASN CB C 42 38.637 39.313 -0.676 1
1 467 . 13 1 1 A 42 42 ASN C C 42 174.950 175.721 -0.771 1
1 468 . 13 1 1 A 43 43 PRO CA C 43 63.681 65.075 -1.394 1
1 469 . 13 1 1 A 43 43 PRO HA H 43 3.869 4.152 -0.283 1
1 470 . 13 1 1 A 43 43 PRO CB C 43 31.408 31.100 0.308 1
1 479 . 13 1 1 A 43 43 PRO C C 43 178.273 178.485 -0.212 1
1 480 . 13 1 1 A 44 44 VAL N N 44 119.901 115.563 4.338 1
1 481 . 13 1 1 A 44 44 VAL H H 44 7.968 7.179 0.789 1
1 482 . 13 1 1 A 44 44 VAL CA C 44 64.744 65.526 -0.782 1
1 483 . 13 1 1 A 44 44 VAL HA H 44 3.646 3.573 0.073 1
1 484 . 13 1 1 A 44 44 VAL CB C 44 31.581 31.327 0.254 1
1 494 . 13 1 1 A 44 44 VAL C C 44 177.625 178.262 -0.637 1
1 495 . 13 1 1 A 45 45 LEU N N 45 120.711 119.495 1.216 1
1 496 . 13 1 1 A 45 45 LEU H H 45 7.076 7.931 -0.855 1
1 497 . 13 1 1 A 45 45 LEU CA C 45 56.822 57.972 -1.150 1
1 498 . 13 1 1 A 45 45 LEU HA H 45 3.994 3.900 0.094 1
1 499 . 13 1 1 A 45 45 LEU CB C 45 41.194 41.279 -0.085 1
1 512 . 13 1 1 A 45 45 LEU C C 45 179.099 179.000 0.099 1
1 513 . 13 1 1 A 46 46 GLU N N 46 120.581 119.723 0.858 1
1 514 . 13 1 1 A 46 46 GLU H H 46 8.001 7.867 0.134 1
1 515 . 13 1 1 A 46 46 GLU CA C 46 58.462 59.340 -0.878 1
1 516 . 13 1 1 A 46 46 GLU HA H 46 3.961 4.008 -0.047 1
1 517 . 13 1 1 A 46 46 GLU CB C 46 29.956 29.295 0.661 1
1 523 . 13 1 1 A 46 46 GLU C C 46 177.685 178.493 -0.808 1
1 524 . 13 1 1 A 47 47 ALA N N 47 121.265 121.084 0.181 1
1 525 . 13 1 1 A 47 47 ALA H H 47 7.625 8.074 -0.449 1
1 526 . 13 1 1 A 47 47 ALA CA C 47 54.438 55.087 -0.649 1
1 527 . 13 1 1 A 47 47 ALA HA H 47 4.082 4.114 -0.032 1
1 528 . 13 1 1 A 47 47 ALA CB C 47 18.192 18.383 -0.191 1
1 532 . 13 1 1 A 47 47 ALA C C 47 179.879 179.599 0.280 1
1 533 . 13 1 1 A 48 48 LYS N N 48 118.414 116.531 1.883 1
1 534 . 13 1 1 A 48 48 LYS H H 48 7.776 7.932 -0.156 1
1 535 . 13 1 1 A 48 48 LYS CA C 48 58.491 58.332 0.159 1
1 536 . 13 1 1 A 48 48 LYS HA H 48 4.063 4.110 -0.047 1
1 537 . 13 1 1 A 48 48 LYS CB C 48 32.565 31.272 1.293 1
1 547 . 13 1 1 A 48 48 LYS C C 48 178.235 178.330 -0.095 1
1 548 . 13 1 1 A 49 49 ARG N N 49 120.324 119.781 0.543 1
1 549 . 13 1 1 A 49 49 ARG H H 49 7.968 8.282 -0.314 1
1 550 . 13 1 1 A 49 49 ARG CA C 49 58.156 58.261 -0.105 1
1 551 . 13 1 1 A 49 49 ARG HA H 49 4.140 4.164 -0.024 1
1 552 . 13 1 1 A 49 49 ARG CB C 49 30.349 30.442 -0.093 1
1 561 . 13 1 1 A 49 49 ARG C C 49 177.985 178.070 -0.085 1
1 562 . 13 1 1 A 50 50 LYS N N 50 120.001 117.968 2.033 1
1 563 . 13 1 1 A 50 50 LYS H H 50 8.051 8.376 -0.325 1
1 564 . 13 1 1 A 50 50 LYS CA C 50 58.185 58.299 -0.114 1
1 565 . 13 1 1 A 50 50 LYS HA H 50 4.099 4.178 -0.079 1
1 566 . 13 1 1 A 50 50 LYS CB C 50 32.645 32.699 -0.054 1
1 575 . 13 1 1 A 50 50 LYS C C 50 177.791 178.633 -0.842 1
1 576 . 13 1 1 A 51 51 LYS N N 51 120.458 119.711 0.747 1
1 577 . 13 1 1 A 51 51 LYS H H 51 7.915 7.952 -0.037 1
1 578 . 13 1 1 A 51 51 LYS CA C 51 57.452 58.599 -1.147 1
1 579 . 13 1 1 A 51 51 LYS HA H 51 4.189 4.220 -0.031 1
1 580 . 13 1 1 A 51 51 LYS CB C 51 32.620 32.958 -0.338 1
1 590 . 13 1 1 A 51 51 LYS C C 51 177.670 178.696 -1.026 1
1 591 . 13 1 1 A 52 52 GLN N N 52 119.883 116.268 3.615 1
1 592 . 13 1 1 A 52 52 GLN H H 52 8.060 8.212 -0.152 1
1 593 . 13 1 1 A 52 52 GLN CA C 52 56.866 58.346 -1.480 1
1 594 . 13 1 1 A 52 52 GLN HA H 52 4.213 4.119 0.094 1
1 595 . 13 1 1 A 52 52 GLN CB C 52 28.969 27.556 1.413 1
1 604 . 13 1 1 A 52 52 GLN C C 52 176.851 176.452 0.399 1
1 605 . 13 1 1 A 53 53 LEU N N 53 121.489 123.319 -1.830 1
1 606 . 13 1 1 A 53 53 LEU H H 53 8.027 7.501 0.526 1
1 607 . 13 1 1 A 53 53 LEU CA C 53 55.826 55.867 -0.041 1
1 608 . 13 1 1 A 53 53 LEU HA H 53 4.288 4.130 0.158 1
1 609 . 13 1 1 A 53 53 LEU CB C 53 42.379 42.173 0.206 1
1 622 . 13 1 1 A 53 53 LEU C C 53 177.973 176.858 1.115 1
1 623 . 13 1 1 A 54 54 GLU N N 54 120.395 125.862 -5.467 1
1 624 . 13 1 1 A 54 54 GLU H H 54 8.141 8.546 -0.405 1
1 625 . 13 1 1 A 54 54 GLU CA C 54 56.906 56.701 0.205 1
1 626 . 13 1 1 A 54 54 GLU HA H 54 4.291 4.270 0.021 1
1 627 . 13 1 1 A 54 54 GLU CB C 54 30.228 29.951 0.277 1
1 633 . 13 1 1 A 54 54 GLU C C 54 176.762 175.775 0.987 1
1 634 . 13 1 1 A 55 55 SER N N 55 115.834 118.616 -2.782 1
1 635 . 13 1 1 A 55 55 SER H H 55 8.178 8.633 -0.455 1
1 636 . 13 1 1 A 55 55 SER CA C 55 58.606 59.502 -0.896 1
1 637 . 13 1 1 A 55 55 SER HA H 55 4.492 4.392 0.100 1
1 638 . 13 1 1 A 55 55 SER CB C 55 63.869 62.672 1.197 1
1 641 . 13 1 1 A 55 55 SER C C 55 174.614 174.470 0.144 1
1 642 . 13 1 1 A 56 56 GLY N N 56 110.601 110.770 -0.169 1
1 643 . 13 1 1 A 56 56 GLY H H 56 8.163 8.262 -0.099 1
1 644 . 13 1 1 A 56 56 GLY CA C 56 44.731 45.594 -0.863 1
1 645 . 13 1 1 A 56 56 GLY HA2 H 56 4.098 4.201 -0.103 1
1 646 . 13 1 1 A 56 56 GLY HA3 H 56 4.167 4.201 -0.034 1
1 647 . 13 1 1 A 56 56 GLY C C 56 171.805 174.089 -2.284 1
1 648 . 13 1 1 A 57 57 PRO CA C 57 63.271 63.458 -0.187 1
1 649 . 13 1 1 A 57 57 PRO HA H 57 4.475 4.572 -0.097 1
1 650 . 13 1 1 A 57 57 PRO CB C 57 32.133 31.947 0.186 1
1 659 . 13 1 1 A 57 57 PRO C C 57 177.422 176.684 0.738 1
1 660 . 13 1 1 A 58 58 SER N N 58 116.422 114.578 1.844 1
1 661 . 13 1 1 A 58 58 SER H H 58 8.524 7.734 0.790 1
1 662 . 13 1 1 A 58 58 SER CA C 58 58.457 58.714 -0.257 1
1 663 . 13 1 1 A 58 58 SER HA H 58 4.494 4.354 0.140 1
1 664 . 13 1 1 A 58 58 SER CB C 58 63.945 63.639 0.306 1
1 667 . 13 1 1 A 58 58 SER C C 58 174.720 174.087 0.633 1
1 668 . 13 1 1 A 59 59 SER N N 59 117.951 120.081 -2.130 1
1 669 . 13 1 1 A 59 59 SER H H 59 8.342 8.679 -0.337 1
1 670 . 13 1 1 A 59 59 SER CA C 59 58.327 57.253 1.074 1
1 671 . 13 1 1 A 59 59 SER HA H 59 4.491 4.806 -0.315 1
1 672 . 13 1 1 A 59 59 SER CB C 59 63.965 64.180 -0.215 1
1 675 . 13 1 1 A 59 59 SER C C 59 173.967 174.376 -0.409 1
1 1 . 14 1 1 A 5 5 SER N N 5 115.829 115.632 0.197 1
1 2 . 14 1 1 A 5 5 SER CA C 5 58.317 59.995 -1.678 1
1 3 . 14 1 1 A 5 5 SER CB C 5 63.703 63.489 0.214 1
1 4 . 14 1 1 A 5 5 SER C C 5 174.849 174.322 0.527 1
1 5 . 14 1 1 A 6 6 SER N N 6 117.994 121.308 -3.314 1
1 6 . 14 1 1 A 6 6 SER CA C 6 58.677 60.229 -1.552 1
1 7 . 14 1 1 A 6 6 SER HA H 6 4.501 4.352 0.149 1
1 8 . 14 1 1 A 6 6 SER CB C 6 63.732 62.402 1.330 1
1 10 . 14 1 1 A 6 6 SER C C 6 175.043 174.709 0.334 1
1 11 . 14 1 1 A 7 7 GLY N N 7 110.716 112.362 -1.646 1
1 12 . 14 1 1 A 7 7 GLY H H 7 8.429 8.197 0.232 1
1 13 . 14 1 1 A 7 7 GLY CA C 7 45.403 45.070 0.333 1
1 14 . 14 1 1 A 7 7 GLY HA2 H 7 3.976 4.151 -0.175 1
1 15 . 14 1 1 A 7 7 GLY HA3 H 7 3.976 4.152 -0.176 1
1 16 . 14 1 1 A 7 7 GLY C C 7 174.231 172.981 1.250 1
1 17 . 14 1 1 A 8 8 LEU N N 8 121.547 121.736 -0.189 1
1 18 . 14 1 1 A 8 8 LEU H H 8 8.132 8.512 -0.380 1
1 19 . 14 1 1 A 8 8 LEU CA C 8 55.233 54.625 0.608 1
1 20 . 14 1 1 A 8 8 LEU HA H 8 4.356 4.216 0.140 1
1 21 . 14 1 1 A 8 8 LEU CB C 8 42.416 42.814 -0.398 1
1 31 . 14 1 1 A 8 8 LEU C C 8 177.479 175.846 1.633 1
1 32 . 14 1 1 A 9 9 ASP N N 9 120.983 119.962 1.021 1
1 33 . 14 1 1 A 9 9 ASP H H 9 8.413 8.636 -0.223 1
1 34 . 14 1 1 A 9 9 ASP CA C 9 54.826 52.823 2.003 1
1 35 . 14 1 1 A 9 9 ASP HA H 9 4.555 5.416 -0.861 1
1 36 . 14 1 1 A 9 9 ASP CB C 9 40.967 44.633 -3.666 1
1 39 . 14 1 1 A 9 9 ASP C C 9 176.609 175.772 0.837 1
1 40 . 14 1 1 A 10 10 SER N N 10 115.538 114.347 1.191 1
1 41 . 14 1 1 A 10 10 SER H H 10 8.146 8.550 -0.404 1
1 42 . 14 1 1 A 10 10 SER CA C 10 58.926 56.156 2.770 1
1 43 . 14 1 1 A 10 10 SER HA H 10 4.361 5.130 -0.769 1
1 44 . 14 1 1 A 10 10 SER CB C 10 63.924 66.488 -2.564 1
1 47 . 14 1 1 A 10 10 SER C C 10 174.922 175.446 -0.524 1
1 48 . 14 1 1 A 11 11 GLU N N 11 122.324 120.007 2.317 1
1 49 . 14 1 1 A 11 11 GLU H H 11 8.416 8.992 -0.576 1
1 50 . 14 1 1 A 11 11 GLU CA C 11 56.763 58.990 -2.227 1
1 51 . 14 1 1 A 11 11 GLU HA H 11 4.262 3.710 0.552 1
1 52 . 14 1 1 A 11 11 GLU CB C 11 29.860 29.324 0.536 1
1 58 . 14 1 1 A 11 11 GLU C C 11 176.347 176.766 -0.419 1
1 59 . 14 1 1 A 12 12 LEU N N 12 121.580 117.044 4.536 1
1 60 . 14 1 1 A 12 12 LEU H H 12 7.957 8.013 -0.056 1
1 61 . 14 1 1 A 12 12 LEU CA C 12 54.921 56.315 -1.394 1
1 62 . 14 1 1 A 12 12 LEU HA H 12 4.311 3.904 0.407 1
1 63 . 14 1 1 A 12 12 LEU CB C 12 42.313 40.368 1.945 1
1 76 . 14 1 1 A 12 12 LEU C C 12 176.945 175.926 1.019 1
1 77 . 14 1 1 A 13 13 GLU N N 13 122.146 110.056 12.090 1
1 78 . 14 1 1 A 13 13 GLU H H 13 8.088 8.448 -0.360 1
1 79 . 14 1 1 A 13 13 GLU CA C 13 56.222 57.105 -0.883 1
1 80 . 14 1 1 A 13 13 GLU HA H 13 4.236 3.791 0.445 1
1 81 . 14 1 1 A 13 13 GLU CB C 13 30.332 27.546 2.786 1
1 86 . 14 1 1 A 13 13 GLU C C 13 175.667 175.874 -0.207 1
1 87 . 14 1 1 A 14 14 LEU N N 14 123.302 120.310 2.992 1
1 88 . 14 1 1 A 14 14 LEU H H 14 8.331 7.818 0.513 1
1 89 . 14 1 1 A 14 14 LEU CA C 14 52.689 53.747 -1.058 1
1 90 . 14 1 1 A 14 14 LEU HA H 14 4.376 4.075 0.301 1
1 91 . 14 1 1 A 14 14 LEU CB C 14 41.859 41.225 0.634 1
1 104 . 14 1 1 A 14 14 LEU C C 14 174.694 177.346 -2.652 1
1 105 . 14 1 1 A 15 15 PRO CA C 15 61.808 65.900 -4.092 1
1 106 . 14 1 1 A 15 15 PRO HA H 15 4.509 4.422 0.087 1
1 107 . 14 1 1 A 15 15 PRO CB C 15 31.501 31.542 -0.041 1
1 116 . 14 1 1 A 15 15 PRO C C 15 175.733 176.512 -0.779 1
1 117 . 14 1 1 A 16 16 ALA N N 16 123.226 117.059 6.167 1
1 118 . 14 1 1 A 16 16 ALA H H 16 8.427 8.041 0.386 1
1 119 . 14 1 1 A 16 16 ALA CA C 16 53.836 51.500 2.336 1
1 120 . 14 1 1 A 16 16 ALA HA H 16 4.235 4.806 -0.571 1
1 121 . 14 1 1 A 16 16 ALA CB C 16 18.391 22.738 -4.347 1
1 125 . 14 1 1 A 16 16 ALA C C 16 178.641 177.104 1.537 1
1 126 . 14 1 1 A 17 17 GLY N N 17 110.263 109.954 0.309 1
1 127 . 14 1 1 A 17 17 GLY H H 17 8.816 8.763 0.053 1
1 128 . 14 1 1 A 17 17 GLY CA C 17 45.465 46.120 -0.655 1
1 129 . 14 1 1 A 17 17 GLY HA2 H 17 3.759 3.770 -0.011 1
1 130 . 14 1 1 A 17 17 GLY HA3 H 17 4.261 3.906 0.355 1
1 131 . 14 1 1 A 17 17 GLY C C 17 173.251 173.624 -0.373 1
1 132 . 14 1 1 A 18 18 TRP N N 18 118.263 119.262 -0.999 1
1 133 . 14 1 1 A 18 18 TRP H H 18 7.782 7.959 -0.177 1
1 134 . 14 1 1 A 18 18 TRP CA C 18 56.679 56.026 0.653 1
1 135 . 14 1 1 A 18 18 TRP HA H 18 5.840 5.224 0.616 1
1 136 . 14 1 1 A 18 18 TRP CB C 18 32.215 32.759 -0.544 1
1 151 . 14 1 1 A 18 18 TRP C C 18 177.038 174.990 2.048 1
1 152 . 14 1 1 A 19 19 GLU N N 19 122.023 123.438 -1.415 1
1 153 . 14 1 1 A 19 19 GLU H H 19 9.480 8.790 0.690 1
1 154 . 14 1 1 A 19 19 GLU CA C 19 55.126 55.240 -0.114 1
1 155 . 14 1 1 A 19 19 GLU HA H 19 4.679 5.072 -0.393 1
1 156 . 14 1 1 A 19 19 GLU CB C 19 34.865 33.567 1.298 1
1 162 . 14 1 1 A 19 19 GLU C C 19 173.752 175.110 -1.358 1
1 163 . 14 1 1 A 20 20 LYS N N 20 127.008 127.984 -0.976 1
1 164 . 14 1 1 A 20 20 LYS H H 20 8.848 8.695 0.153 1
1 165 . 14 1 1 A 20 20 LYS CA C 20 55.531 56.659 -1.128 1
1 166 . 14 1 1 A 20 20 LYS HA H 20 4.379 4.762 -0.383 1
1 167 . 14 1 1 A 20 20 LYS CB C 20 33.946 32.886 1.060 1
1 178 . 14 1 1 A 20 20 LYS C C 20 174.530 175.047 -0.517 1
1 179 . 14 1 1 A 21 21 ILE N N 21 130.740 129.588 1.152 1
1 180 . 14 1 1 A 21 21 ILE H H 21 8.894 9.113 -0.219 1
1 181 . 14 1 1 A 21 21 ILE CA C 21 58.996 60.083 -1.087 1
1 182 . 14 1 1 A 21 21 ILE HA H 21 4.035 4.406 -0.371 1
1 183 . 14 1 1 A 21 21 ILE CB C 21 38.249 39.170 -0.921 1
1 196 . 14 1 1 A 21 21 ILE C C 21 173.612 174.552 -0.940 1
1 197 . 14 1 1 A 22 22 GLU N N 22 124.546 127.691 -3.145 1
1 198 . 14 1 1 A 22 22 GLU H H 22 8.273 8.838 -0.565 1
1 199 . 14 1 1 A 22 22 GLU CA C 22 54.652 55.375 -0.723 1
1 200 . 14 1 1 A 22 22 GLU HA H 22 4.429 4.794 -0.365 1
1 201 . 14 1 1 A 22 22 GLU CB C 22 29.876 30.947 -1.071 1
1 207 . 14 1 1 A 22 22 GLU C C 22 174.548 175.318 -0.770 1
1 208 . 14 1 1 A 23 23 ASP N N 23 128.325 126.209 2.116 1
1 209 . 14 1 1 A 23 23 ASP H H 23 8.368 8.735 -0.367 1
1 210 . 14 1 1 A 23 23 ASP CA C 23 51.555 50.579 0.976 1
1 211 . 14 1 1 A 23 23 ASP HA H 23 5.093 5.217 -0.124 1
1 212 . 14 1 1 A 23 23 ASP CB C 23 45.902 42.784 3.118 1
1 215 . 14 1 1 A 23 23 ASP C C 23 175.729 176.185 -0.456 1
1 216 . 14 1 1 A 24 24 PRO CA C 24 64.824 64.871 -0.047 1
1 217 . 14 1 1 A 24 24 PRO HA H 24 4.356 4.440 -0.084 1
1 218 . 14 1 1 A 24 24 PRO CB C 24 32.297 32.172 0.125 1
1 227 . 14 1 1 A 24 24 PRO C C 24 176.540 177.764 -1.224 1
1 228 . 14 1 1 A 25 25 VAL N N 25 118.640 116.143 2.497 1
1 229 . 14 1 1 A 25 25 VAL H H 25 8.485 7.839 0.646 1
1 230 . 14 1 1 A 25 25 VAL CA C 25 64.125 64.153 -0.028 1
1 231 . 14 1 1 A 25 25 VAL HA H 25 3.856 3.939 -0.083 1
1 232 . 14 1 1 A 25 25 VAL CB C 25 33.098 32.478 0.620 1
1 242 . 14 1 1 A 25 25 VAL C C 25 177.626 177.488 0.138 1
1 243 . 14 1 1 A 26 26 TYR N N 26 117.602 117.191 0.411 1
1 244 . 14 1 1 A 26 26 TYR H H 26 8.632 8.321 0.311 1
1 245 . 14 1 1 A 26 26 TYR CA C 26 59.189 59.471 -0.282 1
1 246 . 14 1 1 A 26 26 TYR HA H 26 4.469 4.524 -0.055 1
1 247 . 14 1 1 A 26 26 TYR CB C 26 39.193 38.811 0.382 1
1 258 . 14 1 1 A 26 26 TYR C C 26 176.124 176.578 -0.454 1
1 259 . 14 1 1 A 27 27 GLY N N 27 110.042 106.663 3.379 1
1 260 . 14 1 1 A 27 27 GLY H H 27 8.181 7.951 0.230 1
1 261 . 14 1 1 A 27 27 GLY CA C 27 44.979 44.640 0.339 1
1 262 . 14 1 1 A 27 27 GLY HA2 H 27 3.890 4.183 -0.293 1
1 263 . 14 1 1 A 27 27 GLY HA3 H 27 4.390 4.231 0.159 1
1 264 . 14 1 1 A 27 27 GLY C C 27 173.043 173.511 -0.468 1
1 265 . 14 1 1 A 28 28 ILE N N 28 121.278 121.312 -0.034 1
1 266 . 14 1 1 A 28 28 ILE H H 28 8.259 8.400 -0.141 1
1 267 . 14 1 1 A 28 28 ILE CA C 28 60.867 61.404 -0.537 1
1 268 . 14 1 1 A 28 28 ILE HA H 28 4.900 4.920 -0.020 1
1 269 . 14 1 1 A 28 28 ILE CB C 28 38.763 37.832 0.931 1
1 282 . 14 1 1 A 28 28 ILE C C 28 176.805 175.396 1.409 1
1 283 . 14 1 1 A 29 29 TYR N N 29 124.534 124.002 0.532 1
1 284 . 14 1 1 A 29 29 TYR H H 29 8.822 8.836 -0.014 1
1 285 . 14 1 1 A 29 29 TYR CA C 29 56.332 55.469 0.863 1
1 286 . 14 1 1 A 29 29 TYR HA H 29 4.712 5.240 -0.528 1
1 287 . 14 1 1 A 29 29 TYR CB C 29 38.879 41.845 -2.966 1
1 298 . 14 1 1 A 29 29 TYR C C 29 170.710 172.072 -1.362 1
1 299 . 14 1 1 A 30 30 TYR N N 30 116.432 120.457 -4.025 1
1 300 . 14 1 1 A 30 30 TYR H H 30 8.981 8.867 0.114 1
1 301 . 14 1 1 A 30 30 TYR CA C 30 56.921 57.475 -0.554 1
1 302 . 14 1 1 A 30 30 TYR HA H 30 5.417 5.632 -0.215 1
1 303 . 14 1 1 A 30 30 TYR CB C 30 41.603 40.277 1.326 1
1 314 . 14 1 1 A 30 30 TYR C C 30 174.825 175.111 -0.286 1
1 315 . 14 1 1 A 31 31 VAL N N 31 121.385 124.087 -2.702 1
1 316 . 14 1 1 A 31 31 VAL H H 31 9.266 9.117 0.149 1
1 317 . 14 1 1 A 31 31 VAL CA C 31 60.346 59.676 0.670 1
1 318 . 14 1 1 A 31 31 VAL HA H 31 4.610 4.890 -0.280 1
1 319 . 14 1 1 A 31 31 VAL CB C 31 35.393 34.189 1.204 1
1 329 . 14 1 1 A 31 31 VAL C C 31 173.103 173.348 -0.245 1
1 330 . 14 1 1 A 32 32 ASP N N 32 126.129 126.351 -0.222 1
1 331 . 14 1 1 A 32 32 ASP H H 32 8.340 9.075 -0.735 1
1 332 . 14 1 1 A 32 32 ASP CA C 32 51.134 53.554 -2.420 1
1 333 . 14 1 1 A 32 32 ASP HA H 32 3.702 4.977 -1.275 1
1 334 . 14 1 1 A 32 32 ASP CB C 32 39.252 41.244 -1.992 1
1 337 . 14 1 1 A 32 32 ASP C C 32 177.731 175.563 2.168 1
1 338 . 14 1 1 A 33 33 HIS N N 33 121.984 122.243 -0.259 1
1 339 . 14 1 1 A 33 33 HIS H H 33 8.728 8.007 0.721 1
1 340 . 14 1 1 A 33 33 HIS CA C 33 58.404 56.546 1.858 1
1 341 . 14 1 1 A 33 33 HIS HA H 33 4.218 4.571 -0.353 1
1 342 . 14 1 1 A 33 33 HIS CB C 33 30.594 29.220 1.374 1
1 349 . 14 1 1 A 33 33 HIS C C 33 176.844 175.909 0.935 1
1 350 . 14 1 1 A 34 34 ILE N N 34 120.023 116.845 3.178 1
1 351 . 14 1 1 A 34 34 ILE H H 34 8.090 7.482 0.608 1
1 352 . 14 1 1 A 34 34 ILE CA C 34 63.382 62.160 1.222 1
1 353 . 14 1 1 A 34 34 ILE HA H 34 3.845 4.054 -0.209 1
1 354 . 14 1 1 A 34 34 ILE CB C 34 37.023 39.943 -2.920 1
1 367 . 14 1 1 A 34 34 ILE C C 34 177.464 177.184 0.280 1
1 368 . 14 1 1 A 35 35 ASN N N 35 115.543 117.544 -2.001 1
1 369 . 14 1 1 A 35 35 ASN H H 35 7.620 7.568 0.052 1
1 370 . 14 1 1 A 35 35 ASN CA C 35 53.139 52.800 0.339 1
1 371 . 14 1 1 A 35 35 ASN HA H 35 4.587 4.871 -0.284 1
1 372 . 14 1 1 A 35 35 ASN CB C 35 38.909 38.490 0.419 1
1 378 . 14 1 1 A 35 35 ASN C C 35 173.887 174.077 -0.190 1
1 379 . 14 1 1 A 36 36 ARG N N 36 117.698 116.243 1.455 1
1 380 . 14 1 1 A 36 36 ARG H H 36 7.596 7.798 -0.202 1
1 381 . 14 1 1 A 36 36 ARG CA C 36 56.824 56.991 -0.167 1
1 382 . 14 1 1 A 36 36 ARG HA H 36 3.850 3.903 -0.053 1
1 383 . 14 1 1 A 36 36 ARG CB C 36 26.161 27.881 -1.720 1
1 390 . 14 1 1 A 36 36 ARG C C 36 174.732 174.649 0.083 1
1 391 . 14 1 1 A 37 37 LYS N N 37 117.773 114.354 3.419 1
1 392 . 14 1 1 A 37 37 LYS H H 37 7.471 7.476 -0.005 1
1 393 . 14 1 1 A 37 37 LYS CA C 37 54.528 54.501 0.027 1
1 394 . 14 1 1 A 37 37 LYS HA H 37 4.795 4.969 -0.174 1
1 395 . 14 1 1 A 37 37 LYS CB C 37 36.493 36.615 -0.122 1
1 404 . 14 1 1 A 37 37 LYS C C 37 174.870 174.651 0.219 1
1 405 . 14 1 1 A 38 38 THR N N 38 114.635 111.608 3.027 1
1 406 . 14 1 1 A 38 38 THR H H 38 8.322 8.706 -0.384 1
1 407 . 14 1 1 A 38 38 THR CA C 38 60.506 59.824 0.682 1
1 408 . 14 1 1 A 38 38 THR HA H 38 5.390 5.389 0.001 1
1 409 . 14 1 1 A 38 38 THR CB C 38 71.424 72.276 -0.852 1
1 415 . 14 1 1 A 38 38 THR C C 38 173.840 173.028 0.812 1
1 416 . 14 1 1 A 39 39 GLN N N 39 117.672 119.554 -1.882 1
1 417 . 14 1 1 A 39 39 GLN H H 39 9.335 8.250 1.085 1
1 418 . 14 1 1 A 39 39 GLN CA C 39 54.878 54.296 0.582 1
1 419 . 14 1 1 A 39 39 GLN HA H 39 4.899 4.827 0.072 1
1 420 . 14 1 1 A 39 39 GLN CB C 39 32.186 31.509 0.677 1
1 429 . 14 1 1 A 39 39 GLN C C 39 174.549 174.331 0.218 1
1 430 . 14 1 1 A 40 40 TYR N N 40 119.391 118.969 0.422 1
1 431 . 14 1 1 A 40 40 TYR H H 40 8.858 8.603 0.255 1
1 432 . 14 1 1 A 40 40 TYR CA C 40 60.804 60.147 0.657 1
1 433 . 14 1 1 A 40 40 TYR HA H 40 4.752 4.655 0.097 1
1 434 . 14 1 1 A 40 40 TYR CB C 40 39.167 39.928 -0.761 1
1 445 . 14 1 1 A 40 40 TYR C C 40 176.295 176.514 -0.219 1
1 446 . 14 1 1 A 41 41 GLU N N 41 119.491 118.288 1.203 1
1 447 . 14 1 1 A 41 41 GLU H H 41 8.079 8.032 0.047 1
1 448 . 14 1 1 A 41 41 GLU CA C 41 56.296 57.099 -0.803 1
1 449 . 14 1 1 A 41 41 GLU HA H 41 4.351 4.296 0.055 1
1 450 . 14 1 1 A 41 41 GLU CB C 41 30.517 29.979 0.538 1
1 456 . 14 1 1 A 41 41 GLU C C 41 175.460 176.436 -0.976 1
1 457 . 14 1 1 A 42 42 ASN N N 42 125.050 125.347 -0.297 1
1 458 . 14 1 1 A 42 42 ASN H H 42 8.720 8.800 -0.080 1
1 459 . 14 1 1 A 42 42 ASN CA C 42 51.186 51.254 -0.068 1
1 460 . 14 1 1 A 42 42 ASN HA H 42 2.979 4.715 -1.736 1
1 461 . 14 1 1 A 42 42 ASN CB C 42 38.637 39.312 -0.675 1
1 467 . 14 1 1 A 42 42 ASN C C 42 174.950 175.612 -0.662 1
1 468 . 14 1 1 A 43 43 PRO CA C 43 63.681 65.224 -1.543 1
1 469 . 14 1 1 A 43 43 PRO HA H 43 3.869 4.134 -0.265 1
1 470 . 14 1 1 A 43 43 PRO CB C 43 31.408 31.038 0.370 1
1 479 . 14 1 1 A 43 43 PRO C C 43 178.273 178.689 -0.416 1
1 480 . 14 1 1 A 44 44 VAL N N 44 119.901 115.660 4.241 1
1 481 . 14 1 1 A 44 44 VAL H H 44 7.968 7.342 0.626 1
1 482 . 14 1 1 A 44 44 VAL CA C 44 64.744 65.757 -1.013 1
1 483 . 14 1 1 A 44 44 VAL HA H 44 3.646 3.542 0.104 1
1 484 . 14 1 1 A 44 44 VAL CB C 44 31.581 31.398 0.183 1
1 494 . 14 1 1 A 44 44 VAL C C 44 177.625 178.064 -0.439 1
1 495 . 14 1 1 A 45 45 LEU N N 45 120.711 119.476 1.235 1
1 496 . 14 1 1 A 45 45 LEU H H 45 7.076 8.002 -0.926 1
1 497 . 14 1 1 A 45 45 LEU CA C 45 56.822 58.322 -1.500 1
1 498 . 14 1 1 A 45 45 LEU HA H 45 3.994 3.852 0.142 1
1 499 . 14 1 1 A 45 45 LEU CB C 45 41.194 41.144 0.050 1
1 512 . 14 1 1 A 45 45 LEU C C 45 179.099 178.851 0.248 1
1 513 . 14 1 1 A 46 46 GLU N N 46 120.581 119.710 0.871 1
1 514 . 14 1 1 A 46 46 GLU H H 46 8.001 7.857 0.144 1
1 515 . 14 1 1 A 46 46 GLU CA C 46 58.462 59.310 -0.848 1
1 516 . 14 1 1 A 46 46 GLU HA H 46 3.961 4.038 -0.077 1
1 517 . 14 1 1 A 46 46 GLU CB C 46 29.956 29.438 0.518 1
1 523 . 14 1 1 A 46 46 GLU C C 46 177.685 178.446 -0.761 1
1 524 . 14 1 1 A 47 47 ALA N N 47 121.265 121.037 0.228 1
1 525 . 14 1 1 A 47 47 ALA H H 47 7.625 8.155 -0.530 1
1 526 . 14 1 1 A 47 47 ALA CA C 47 54.438 55.173 -0.735 1
1 527 . 14 1 1 A 47 47 ALA HA H 47 4.082 4.115 -0.033 1
1 528 . 14 1 1 A 47 47 ALA CB C 47 18.192 18.548 -0.356 1
1 532 . 14 1 1 A 47 47 ALA C C 47 179.879 179.582 0.297 1
1 533 . 14 1 1 A 48 48 LYS N N 48 118.414 116.191 2.223 1
1 534 . 14 1 1 A 48 48 LYS H H 48 7.776 8.029 -0.253 1
1 535 . 14 1 1 A 48 48 LYS CA C 48 58.491 58.310 0.181 1
1 536 . 14 1 1 A 48 48 LYS HA H 48 4.063 4.121 -0.058 1
1 537 . 14 1 1 A 48 48 LYS CB C 48 32.565 31.312 1.253 1
1 547 . 14 1 1 A 48 48 LYS C C 48 178.235 178.549 -0.314 1
1 548 . 14 1 1 A 49 49 ARG N N 49 120.324 119.926 0.398 1
1 549 . 14 1 1 A 49 49 ARG H H 49 7.968 8.401 -0.433 1
1 550 . 14 1 1 A 49 49 ARG CA C 49 58.156 58.594 -0.438 1
1 551 . 14 1 1 A 49 49 ARG HA H 49 4.140 4.138 0.002 1
1 552 . 14 1 1 A 49 49 ARG CB C 49 30.349 30.160 0.189 1
1 561 . 14 1 1 A 49 49 ARG C C 49 177.985 178.208 -0.223 1
1 562 . 14 1 1 A 50 50 LYS N N 50 120.001 118.184 1.817 1
1 563 . 14 1 1 A 50 50 LYS H H 50 8.051 8.394 -0.343 1
1 564 . 14 1 1 A 50 50 LYS CA C 50 58.185 58.403 -0.218 1
1 565 . 14 1 1 A 50 50 LYS HA H 50 4.099 4.160 -0.061 1
1 566 . 14 1 1 A 50 50 LYS CB C 50 32.645 32.569 0.076 1
1 575 . 14 1 1 A 50 50 LYS C C 50 177.791 178.878 -1.087 1
1 576 . 14 1 1 A 51 51 LYS N N 51 120.458 120.150 0.308 1
1 577 . 14 1 1 A 51 51 LYS H H 51 7.915 8.094 -0.179 1
1 578 . 14 1 1 A 51 51 LYS CA C 51 57.452 59.107 -1.655 1
1 579 . 14 1 1 A 51 51 LYS HA H 51 4.189 4.123 0.066 1
1 580 . 14 1 1 A 51 51 LYS CB C 51 32.620 32.512 0.108 1
1 590 . 14 1 1 A 51 51 LYS C C 51 177.670 179.059 -1.389 1
1 591 . 14 1 1 A 52 52 GLN N N 52 119.883 119.074 0.809 1
1 592 . 14 1 1 A 52 52 GLN H H 52 8.060 7.576 0.484 1
1 593 . 14 1 1 A 52 52 GLN CA C 52 56.866 58.746 -1.880 1
1 594 . 14 1 1 A 52 52 GLN HA H 52 4.213 4.108 0.105 1
1 595 . 14 1 1 A 52 52 GLN CB C 52 28.969 28.314 0.655 1
1 604 . 14 1 1 A 52 52 GLN C C 52 176.851 177.224 -0.373 1
1 605 . 14 1 1 A 53 53 LEU N N 53 121.489 121.797 -0.308 1
1 606 . 14 1 1 A 53 53 LEU H H 53 8.027 7.641 0.386 1
1 607 . 14 1 1 A 53 53 LEU CA C 53 55.826 55.823 0.003 1
1 608 . 14 1 1 A 53 53 LEU HA H 53 4.288 4.136 0.152 1
1 609 . 14 1 1 A 53 53 LEU CB C 53 42.379 42.165 0.214 1
1 622 . 14 1 1 A 53 53 LEU C C 53 177.973 176.389 1.584 1
1 623 . 14 1 1 A 54 54 GLU N N 54 120.395 125.078 -4.683 1
1 624 . 14 1 1 A 54 54 GLU H H 54 8.141 8.660 -0.519 1
1 625 . 14 1 1 A 54 54 GLU CA C 54 56.906 55.926 0.980 1
1 626 . 14 1 1 A 54 54 GLU HA H 54 4.291 4.525 -0.234 1
1 627 . 14 1 1 A 54 54 GLU CB C 54 30.228 28.177 2.051 1
1 633 . 14 1 1 A 54 54 GLU C C 54 176.762 175.408 1.354 1
1 634 . 14 1 1 A 55 55 SER N N 55 115.834 119.571 -3.737 1
1 635 . 14 1 1 A 55 55 SER H H 55 8.178 8.525 -0.347 1
1 636 . 14 1 1 A 55 55 SER CA C 55 58.606 56.622 1.984 1
1 637 . 14 1 1 A 55 55 SER HA H 55 4.492 5.039 -0.547 1
1 638 . 14 1 1 A 55 55 SER CB C 55 63.869 65.836 -1.967 1
1 641 . 14 1 1 A 55 55 SER C C 55 174.614 173.370 1.244 1
1 642 . 14 1 1 A 56 56 GLY N N 56 110.601 111.849 -1.248 1
1 643 . 14 1 1 A 56 56 GLY H H 56 8.163 8.479 -0.316 1
1 644 . 14 1 1 A 56 56 GLY CA C 56 44.731 44.929 -0.198 1
1 645 . 14 1 1 A 56 56 GLY HA2 H 56 4.098 4.165 -0.067 1
1 646 . 14 1 1 A 56 56 GLY HA3 H 56 4.167 4.165 0.002 1
1 647 . 14 1 1 A 56 56 GLY C C 56 171.805 173.764 -1.959 1
1 648 . 14 1 1 A 57 57 PRO CA C 57 63.271 63.970 -0.699 1
1 649 . 14 1 1 A 57 57 PRO HA H 57 4.475 4.520 -0.045 1
1 650 . 14 1 1 A 57 57 PRO CB C 57 32.133 31.822 0.311 1
1 659 . 14 1 1 A 57 57 PRO C C 57 177.422 175.919 1.503 1
1 660 . 14 1 1 A 58 58 SER N N 58 116.422 114.316 2.106 1
1 661 . 14 1 1 A 58 58 SER H H 58 8.524 7.649 0.875 1
1 662 . 14 1 1 A 58 58 SER CA C 58 58.457 56.260 2.197 1
1 663 . 14 1 1 A 58 58 SER HA H 58 4.494 4.799 -0.305 1
1 664 . 14 1 1 A 58 58 SER CB C 58 63.945 65.441 -1.496 1
1 667 . 14 1 1 A 58 58 SER C C 58 174.720 174.123 0.597 1
1 668 . 14 1 1 A 59 59 SER N N 59 117.951 119.787 -1.836 1
1 669 . 14 1 1 A 59 59 SER H H 59 8.342 8.933 -0.591 1
1 670 . 14 1 1 A 59 59 SER CA C 59 58.327 60.731 -2.404 1
1 671 . 14 1 1 A 59 59 SER HA H 59 4.491 4.379 0.112 1
1 672 . 14 1 1 A 59 59 SER CB C 59 63.965 63.479 0.486 1
1 675 . 14 1 1 A 59 59 SER C C 59 173.967 174.387 -0.420 1
1 1 . 15 1 1 A 5 5 SER N N 5 115.829 119.217 -3.388 1
1 2 . 15 1 1 A 5 5 SER CA C 5 58.317 61.434 -3.117 1
1 3 . 15 1 1 A 5 5 SER CB C 5 63.703 62.909 0.794 1
1 4 . 15 1 1 A 5 5 SER C C 5 174.849 174.700 0.149 1
1 5 . 15 1 1 A 6 6 SER N N 6 117.994 116.567 1.427 1
1 6 . 15 1 1 A 6 6 SER CA C 6 58.677 58.736 -0.059 1
1 7 . 15 1 1 A 6 6 SER HA H 6 4.501 4.765 -0.264 1
1 8 . 15 1 1 A 6 6 SER CB C 6 63.732 64.020 -0.288 1
1 10 . 15 1 1 A 6 6 SER C C 6 175.043 174.690 0.353 1
1 11 . 15 1 1 A 7 7 GLY N N 7 110.716 112.940 -2.224 1
1 12 . 15 1 1 A 7 7 GLY H H 7 8.429 8.145 0.284 1
1 13 . 15 1 1 A 7 7 GLY CA C 7 45.403 45.791 -0.388 1
1 14 . 15 1 1 A 7 7 GLY HA2 H 7 3.976 4.109 -0.133 1
1 15 . 15 1 1 A 7 7 GLY HA3 H 7 3.976 4.116 -0.140 1
1 16 . 15 1 1 A 7 7 GLY C C 7 174.231 174.181 0.050 1
1 17 . 15 1 1 A 8 8 LEU N N 8 121.547 125.409 -3.862 1
1 18 . 15 1 1 A 8 8 LEU H H 8 8.132 8.434 -0.302 1
1 19 . 15 1 1 A 8 8 LEU CA C 8 55.233 54.582 0.651 1
1 20 . 15 1 1 A 8 8 LEU HA H 8 4.356 4.363 -0.007 1
1 21 . 15 1 1 A 8 8 LEU CB C 8 42.416 41.373 1.043 1
1 31 . 15 1 1 A 8 8 LEU C C 8 177.479 176.337 1.142 1
1 32 . 15 1 1 A 9 9 ASP N N 9 120.983 119.746 1.237 1
1 33 . 15 1 1 A 9 9 ASP H H 9 8.413 7.696 0.717 1
1 34 . 15 1 1 A 9 9 ASP CA C 9 54.826 52.667 2.159 1
1 35 . 15 1 1 A 9 9 ASP HA H 9 4.555 5.294 -0.739 1
1 36 . 15 1 1 A 9 9 ASP CB C 9 40.967 42.895 -1.928 1
1 39 . 15 1 1 A 9 9 ASP C C 9 176.609 175.242 1.367 1
1 40 . 15 1 1 A 10 10 SER N N 10 115.538 113.197 2.341 1
1 41 . 15 1 1 A 10 10 SER H H 10 8.146 8.637 -0.491 1
1 42 . 15 1 1 A 10 10 SER CA C 10 58.926 57.215 1.711 1
1 43 . 15 1 1 A 10 10 SER HA H 10 4.361 4.821 -0.460 1
1 44 . 15 1 1 A 10 10 SER CB C 10 63.924 65.855 -1.931 1
1 47 . 15 1 1 A 10 10 SER C C 10 174.922 174.700 0.222 1
1 48 . 15 1 1 A 11 11 GLU N N 11 122.324 119.810 2.514 1
1 49 . 15 1 1 A 11 11 GLU H H 11 8.416 9.100 -0.684 1
1 50 . 15 1 1 A 11 11 GLU CA C 11 56.763 59.005 -2.242 1
1 51 . 15 1 1 A 11 11 GLU HA H 11 4.262 3.712 0.550 1
1 52 . 15 1 1 A 11 11 GLU CB C 11 29.860 29.297 0.563 1
1 58 . 15 1 1 A 11 11 GLU C C 11 176.347 176.828 -0.481 1
1 59 . 15 1 1 A 12 12 LEU N N 12 121.580 116.972 4.608 1
1 60 . 15 1 1 A 12 12 LEU H H 12 7.957 7.959 -0.002 1
1 61 . 15 1 1 A 12 12 LEU CA C 12 54.921 56.301 -1.380 1
1 62 . 15 1 1 A 12 12 LEU HA H 12 4.311 3.842 0.469 1
1 63 . 15 1 1 A 12 12 LEU CB C 12 42.313 40.541 1.772 1
1 76 . 15 1 1 A 12 12 LEU C C 12 176.945 175.981 0.964 1
1 77 . 15 1 1 A 13 13 GLU N N 13 122.146 109.916 12.230 1
1 78 . 15 1 1 A 13 13 GLU H H 13 8.088 8.448 -0.360 1
1 79 . 15 1 1 A 13 13 GLU CA C 13 56.222 57.107 -0.885 1
1 80 . 15 1 1 A 13 13 GLU HA H 13 4.236 3.823 0.413 1
1 81 . 15 1 1 A 13 13 GLU CB C 13 30.332 27.515 2.817 1
1 86 . 15 1 1 A 13 13 GLU C C 13 175.667 175.839 -0.172 1
1 87 . 15 1 1 A 14 14 LEU N N 14 123.302 120.290 3.012 1
1 88 . 15 1 1 A 14 14 LEU H H 14 8.331 7.816 0.515 1
1 89 . 15 1 1 A 14 14 LEU CA C 14 52.689 53.750 -1.061 1
1 90 . 15 1 1 A 14 14 LEU HA H 14 4.376 4.077 0.299 1
1 91 . 15 1 1 A 14 14 LEU CB C 14 41.859 41.394 0.465 1
1 104 . 15 1 1 A 14 14 LEU C C 14 174.694 177.213 -2.519 1
1 105 . 15 1 1 A 15 15 PRO CA C 15 61.808 65.903 -4.095 1
1 106 . 15 1 1 A 15 15 PRO HA H 15 4.509 4.423 0.086 1
1 107 . 15 1 1 A 15 15 PRO CB C 15 31.501 31.543 -0.042 1
1 116 . 15 1 1 A 15 15 PRO C C 15 175.733 176.513 -0.780 1
1 117 . 15 1 1 A 16 16 ALA N N 16 123.226 117.062 6.164 1
1 118 . 15 1 1 A 16 16 ALA H H 16 8.427 8.078 0.349 1
1 119 . 15 1 1 A 16 16 ALA CA C 16 53.836 51.494 2.342 1
1 120 . 15 1 1 A 16 16 ALA HA H 16 4.235 4.798 -0.563 1
1 121 . 15 1 1 A 16 16 ALA CB C 16 18.391 22.775 -4.384 1
1 125 . 15 1 1 A 16 16 ALA C C 16 178.641 177.101 1.540 1
1 126 . 15 1 1 A 17 17 GLY N N 17 110.263 109.948 0.315 1
1 127 . 15 1 1 A 17 17 GLY H H 17 8.816 8.762 0.054 1
1 128 . 15 1 1 A 17 17 GLY CA C 17 45.465 46.107 -0.642 1
1 129 . 15 1 1 A 17 17 GLY HA2 H 17 3.759 3.765 -0.006 1
1 130 . 15 1 1 A 17 17 GLY HA3 H 17 4.261 3.887 0.374 1
1 131 . 15 1 1 A 17 17 GLY C C 17 173.251 173.640 -0.389 1
1 132 . 15 1 1 A 18 18 TRP N N 18 118.263 119.291 -1.028 1
1 133 . 15 1 1 A 18 18 TRP H H 18 7.782 7.966 -0.184 1
1 134 . 15 1 1 A 18 18 TRP CA C 18 56.679 55.926 0.753 1
1 135 . 15 1 1 A 18 18 TRP HA H 18 5.840 5.192 0.648 1
1 136 . 15 1 1 A 18 18 TRP CB C 18 32.215 33.019 -0.804 1
1 151 . 15 1 1 A 18 18 TRP C C 18 177.038 175.033 2.005 1
1 152 . 15 1 1 A 19 19 GLU N N 19 122.023 123.446 -1.423 1
1 153 . 15 1 1 A 19 19 GLU H H 19 9.480 8.710 0.770 1
1 154 . 15 1 1 A 19 19 GLU CA C 19 55.126 55.277 -0.151 1
1 155 . 15 1 1 A 19 19 GLU HA H 19 4.679 5.043 -0.364 1
1 156 . 15 1 1 A 19 19 GLU CB C 19 34.865 33.760 1.105 1
1 162 . 15 1 1 A 19 19 GLU C C 19 173.752 175.129 -1.377 1
1 163 . 15 1 1 A 20 20 LYS N N 20 127.008 127.888 -0.880 1
1 164 . 15 1 1 A 20 20 LYS H H 20 8.848 8.614 0.234 1
1 165 . 15 1 1 A 20 20 LYS CA C 20 55.531 56.517 -0.986 1
1 166 . 15 1 1 A 20 20 LYS HA H 20 4.379 4.749 -0.370 1
1 167 . 15 1 1 A 20 20 LYS CB C 20 33.946 33.061 0.885 1
1 178 . 15 1 1 A 20 20 LYS C C 20 174.530 174.960 -0.430 1
1 179 . 15 1 1 A 21 21 ILE N N 21 130.740 129.427 1.313 1
1 180 . 15 1 1 A 21 21 ILE H H 21 8.894 9.122 -0.228 1
1 181 . 15 1 1 A 21 21 ILE CA C 21 58.996 59.893 -0.897 1
1 182 . 15 1 1 A 21 21 ILE HA H 21 4.035 4.530 -0.495 1
1 183 . 15 1 1 A 21 21 ILE CB C 21 38.249 37.758 0.491 1
1 196 . 15 1 1 A 21 21 ILE C C 21 173.612 174.484 -0.872 1
1 197 . 15 1 1 A 22 22 GLU N N 22 124.546 127.664 -3.118 1
1 198 . 15 1 1 A 22 22 GLU H H 22 8.273 8.806 -0.533 1
1 199 . 15 1 1 A 22 22 GLU CA C 22 54.652 55.184 -0.532 1
1 200 . 15 1 1 A 22 22 GLU HA H 22 4.429 4.672 -0.243 1
1 201 . 15 1 1 A 22 22 GLU CB C 22 29.876 31.004 -1.128 1
1 207 . 15 1 1 A 22 22 GLU C C 22 174.548 175.242 -0.694 1
1 208 . 15 1 1 A 23 23 ASP N N 23 128.325 126.086 2.239 1
1 209 . 15 1 1 A 23 23 ASP H H 23 8.368 8.906 -0.538 1
1 210 . 15 1 1 A 23 23 ASP CA C 23 51.555 50.536 1.019 1
1 211 . 15 1 1 A 23 23 ASP HA H 23 5.093 5.192 -0.099 1
1 212 . 15 1 1 A 23 23 ASP CB C 23 45.902 42.515 3.387 1
1 215 . 15 1 1 A 23 23 ASP C C 23 175.729 176.162 -0.433 1
1 216 . 15 1 1 A 24 24 PRO CA C 24 64.824 64.887 -0.063 1
1 217 . 15 1 1 A 24 24 PRO HA H 24 4.356 4.445 -0.089 1
1 218 . 15 1 1 A 24 24 PRO CB C 24 32.297 32.213 0.084 1
1 227 . 15 1 1 A 24 24 PRO C C 24 176.540 177.906 -1.366 1
1 228 . 15 1 1 A 25 25 VAL N N 25 118.640 116.104 2.536 1
1 229 . 15 1 1 A 25 25 VAL H H 25 8.485 7.826 0.659 1
1 230 . 15 1 1 A 25 25 VAL CA C 25 64.125 64.140 -0.015 1
1 231 . 15 1 1 A 25 25 VAL HA H 25 3.856 3.941 -0.085 1
1 232 . 15 1 1 A 25 25 VAL CB C 25 33.098 32.383 0.715 1
1 242 . 15 1 1 A 25 25 VAL C C 25 177.626 177.410 0.216 1
1 243 . 15 1 1 A 26 26 TYR N N 26 117.602 117.157 0.445 1
1 244 . 15 1 1 A 26 26 TYR H H 26 8.632 8.323 0.309 1
1 245 . 15 1 1 A 26 26 TYR CA C 26 59.189 59.729 -0.540 1
1 246 . 15 1 1 A 26 26 TYR HA H 26 4.469 4.497 -0.028 1
1 247 . 15 1 1 A 26 26 TYR CB C 26 39.193 38.931 0.262 1
1 258 . 15 1 1 A 26 26 TYR C C 26 176.124 176.528 -0.404 1
1 259 . 15 1 1 A 27 27 GLY N N 27 110.042 106.468 3.574 1
1 260 . 15 1 1 A 27 27 GLY H H 27 8.181 7.922 0.259 1
1 261 . 15 1 1 A 27 27 GLY CA C 27 44.979 44.453 0.526 1
1 262 . 15 1 1 A 27 27 GLY HA2 H 27 3.890 4.112 -0.222 1
1 263 . 15 1 1 A 27 27 GLY HA3 H 27 4.390 4.124 0.266 1
1 264 . 15 1 1 A 27 27 GLY C C 27 173.043 173.243 -0.200 1
1 265 . 15 1 1 A 28 28 ILE N N 28 121.278 121.252 0.026 1
1 266 . 15 1 1 A 28 28 ILE H H 28 8.259 8.186 0.073 1
1 267 . 15 1 1 A 28 28 ILE CA C 28 60.867 61.130 -0.263 1
1 268 . 15 1 1 A 28 28 ILE HA H 28 4.900 4.798 0.102 1
1 269 . 15 1 1 A 28 28 ILE CB C 28 38.763 38.018 0.745 1
1 282 . 15 1 1 A 28 28 ILE C C 28 176.805 175.033 1.772 1
1 283 . 15 1 1 A 29 29 TYR N N 29 124.534 123.864 0.670 1
1 284 . 15 1 1 A 29 29 TYR H H 29 8.822 8.734 0.088 1
1 285 . 15 1 1 A 29 29 TYR CA C 29 56.332 55.339 0.993 1
1 286 . 15 1 1 A 29 29 TYR HA H 29 4.712 5.041 -0.329 1
1 287 . 15 1 1 A 29 29 TYR CB C 29 38.879 41.742 -2.863 1
1 298 . 15 1 1 A 29 29 TYR C C 29 170.710 172.083 -1.373 1
1 299 . 15 1 1 A 30 30 TYR N N 30 116.432 120.399 -3.967 1
1 300 . 15 1 1 A 30 30 TYR H H 30 8.981 8.904 0.077 1
1 301 . 15 1 1 A 30 30 TYR CA C 30 56.921 57.531 -0.610 1
1 302 . 15 1 1 A 30 30 TYR HA H 30 5.417 5.626 -0.209 1
1 303 . 15 1 1 A 30 30 TYR CB C 30 41.603 40.299 1.304 1
1 314 . 15 1 1 A 30 30 TYR C C 30 174.825 174.992 -0.167 1
1 315 . 15 1 1 A 31 31 VAL N N 31 121.385 123.902 -2.517 1
1 316 . 15 1 1 A 31 31 VAL H H 31 9.266 9.143 0.123 1
1 317 . 15 1 1 A 31 31 VAL CA C 31 60.346 59.694 0.652 1
1 318 . 15 1 1 A 31 31 VAL HA H 31 4.610 4.891 -0.281 1
1 319 . 15 1 1 A 31 31 VAL CB C 31 35.393 34.328 1.065 1
1 329 . 15 1 1 A 31 31 VAL C C 31 173.103 173.503 -0.400 1
1 330 . 15 1 1 A 32 32 ASP N N 32 126.129 127.133 -1.004 1
1 331 . 15 1 1 A 32 32 ASP H H 32 8.340 8.572 -0.232 1
1 332 . 15 1 1 A 32 32 ASP CA C 32 51.134 53.159 -2.025 1
1 333 . 15 1 1 A 32 32 ASP HA H 32 3.702 5.015 -1.313 1
1 334 . 15 1 1 A 32 32 ASP CB C 32 39.252 40.416 -1.164 1
1 337 . 15 1 1 A 32 32 ASP C C 32 177.731 175.841 1.890 1
1 338 . 15 1 1 A 33 33 HIS N N 33 121.984 121.598 0.386 1
1 339 . 15 1 1 A 33 33 HIS H H 33 8.728 8.167 0.561 1
1 340 . 15 1 1 A 33 33 HIS CA C 33 58.404 57.966 0.438 1
1 341 . 15 1 1 A 33 33 HIS HA H 33 4.218 4.375 -0.157 1
1 342 . 15 1 1 A 33 33 HIS CB C 33 30.594 29.193 1.401 1
1 349 . 15 1 1 A 33 33 HIS C C 33 176.844 175.565 1.279 1
1 350 . 15 1 1 A 34 34 ILE N N 34 120.023 118.496 1.527 1
1 351 . 15 1 1 A 34 34 ILE H H 34 8.090 7.610 0.480 1
1 352 . 15 1 1 A 34 34 ILE CA C 34 63.382 62.642 0.740 1
1 353 . 15 1 1 A 34 34 ILE HA H 34 3.845 4.008 -0.163 1
1 354 . 15 1 1 A 34 34 ILE CB C 34 37.023 38.875 -1.852 1
1 367 . 15 1 1 A 34 34 ILE C C 34 177.464 177.450 0.014 1
1 368 . 15 1 1 A 35 35 ASN N N 35 115.543 118.241 -2.698 1
1 369 . 15 1 1 A 35 35 ASN H H 35 7.620 7.927 -0.307 1
1 370 . 15 1 1 A 35 35 ASN CA C 35 53.139 54.076 -0.937 1
1 371 . 15 1 1 A 35 35 ASN HA H 35 4.587 4.622 -0.035 1
1 372 . 15 1 1 A 35 35 ASN CB C 35 38.909 38.702 0.207 1
1 378 . 15 1 1 A 35 35 ASN C C 35 173.887 174.586 -0.699 1
1 379 . 15 1 1 A 36 36 ARG N N 36 117.698 116.647 1.051 1
1 380 . 15 1 1 A 36 36 ARG H H 36 7.596 8.009 -0.413 1
1 381 . 15 1 1 A 36 36 ARG CA C 36 56.824 57.064 -0.240 1
1 382 . 15 1 1 A 36 36 ARG HA H 36 3.850 3.934 -0.084 1
1 383 . 15 1 1 A 36 36 ARG CB C 36 26.161 27.233 -1.072 1
1 390 . 15 1 1 A 36 36 ARG C C 36 174.732 174.383 0.349 1
1 391 . 15 1 1 A 37 37 LYS N N 37 117.773 116.651 1.122 1
1 392 . 15 1 1 A 37 37 LYS H H 37 7.471 7.293 0.178 1
1 393 . 15 1 1 A 37 37 LYS CA C 37 54.528 54.938 -0.410 1
1 394 . 15 1 1 A 37 37 LYS HA H 37 4.795 4.857 -0.062 1
1 395 . 15 1 1 A 37 37 LYS CB C 37 36.493 36.548 -0.055 1
1 404 . 15 1 1 A 37 37 LYS C C 37 174.870 175.015 -0.145 1
1 405 . 15 1 1 A 38 38 THR N N 38 114.635 113.558 1.077 1
1 406 . 15 1 1 A 38 38 THR H H 38 8.322 8.742 -0.420 1
1 407 . 15 1 1 A 38 38 THR CA C 38 60.506 60.602 -0.096 1
1 408 . 15 1 1 A 38 38 THR HA H 38 5.390 5.365 0.025 1
1 409 . 15 1 1 A 38 38 THR CB C 38 71.424 71.301 0.123 1
1 415 . 15 1 1 A 38 38 THR C C 38 173.840 173.740 0.100 1
1 416 . 15 1 1 A 39 39 GLN N N 39 117.672 122.421 -4.749 1
1 417 . 15 1 1 A 39 39 GLN H H 39 9.335 9.003 0.332 1
1 418 . 15 1 1 A 39 39 GLN CA C 39 54.878 54.514 0.364 1
1 419 . 15 1 1 A 39 39 GLN HA H 39 4.899 5.062 -0.163 1
1 420 . 15 1 1 A 39 39 GLN CB C 39 32.186 32.484 -0.298 1
1 429 . 15 1 1 A 39 39 GLN C C 39 174.549 175.502 -0.953 1
1 430 . 15 1 1 A 40 40 TYR N N 40 119.391 120.841 -1.450 1
1 431 . 15 1 1 A 40 40 TYR H H 40 8.858 9.301 -0.443 1
1 432 . 15 1 1 A 40 40 TYR CA C 40 60.804 60.056 0.748 1
1 433 . 15 1 1 A 40 40 TYR HA H 40 4.752 4.439 0.313 1
1 434 . 15 1 1 A 40 40 TYR CB C 40 39.167 38.589 0.578 1
1 445 . 15 1 1 A 40 40 TYR C C 40 176.295 176.708 -0.413 1
1 446 . 15 1 1 A 41 41 GLU N N 41 119.491 118.359 1.132 1
1 447 . 15 1 1 A 41 41 GLU H H 41 8.079 7.992 0.087 1
1 448 . 15 1 1 A 41 41 GLU CA C 41 56.296 57.003 -0.707 1
1 449 . 15 1 1 A 41 41 GLU HA H 41 4.351 4.275 0.076 1
1 450 . 15 1 1 A 41 41 GLU CB C 41 30.517 30.058 0.459 1
1 456 . 15 1 1 A 41 41 GLU C C 41 175.460 176.411 -0.951 1
1 457 . 15 1 1 A 42 42 ASN N N 42 125.050 125.154 -0.104 1
1 458 . 15 1 1 A 42 42 ASN H H 42 8.720 8.728 -0.008 1
1 459 . 15 1 1 A 42 42 ASN CA C 42 51.186 51.179 0.007 1
1 460 . 15 1 1 A 42 42 ASN HA H 42 2.979 4.881 -1.902 1
1 461 . 15 1 1 A 42 42 ASN CB C 42 38.637 39.495 -0.858 1
1 467 . 15 1 1 A 42 42 ASN C C 42 174.950 175.413 -0.463 1
1 468 . 15 1 1 A 43 43 PRO CA C 43 63.681 65.398 -1.717 1
1 469 . 15 1 1 A 43 43 PRO HA H 43 3.869 4.141 -0.272 1
1 470 . 15 1 1 A 43 43 PRO CB C 43 31.408 30.886 0.522 1
1 479 . 15 1 1 A 43 43 PRO C C 43 178.273 178.628 -0.355 1
1 480 . 15 1 1 A 44 44 VAL N N 44 119.901 115.506 4.395 1
1 481 . 15 1 1 A 44 44 VAL H H 44 7.968 7.274 0.694 1
1 482 . 15 1 1 A 44 44 VAL CA C 44 64.744 65.445 -0.701 1
1 483 . 15 1 1 A 44 44 VAL HA H 44 3.646 3.595 0.051 1
1 484 . 15 1 1 A 44 44 VAL CB C 44 31.581 31.395 0.186 1
1 494 . 15 1 1 A 44 44 VAL C C 44 177.625 178.137 -0.512 1
1 495 . 15 1 1 A 45 45 LEU N N 45 120.711 119.699 1.012 1
1 496 . 15 1 1 A 45 45 LEU H H 45 7.076 7.938 -0.862 1
1 497 . 15 1 1 A 45 45 LEU CA C 45 56.822 58.365 -1.543 1
1 498 . 15 1 1 A 45 45 LEU HA H 45 3.994 3.843 0.151 1
1 499 . 15 1 1 A 45 45 LEU CB C 45 41.194 41.446 -0.252 1
1 512 . 15 1 1 A 45 45 LEU C C 45 179.099 178.748 0.351 1
1 513 . 15 1 1 A 46 46 GLU N N 46 120.581 118.038 2.543 1
1 514 . 15 1 1 A 46 46 GLU H H 46 8.001 8.120 -0.119 1
1 515 . 15 1 1 A 46 46 GLU CA C 46 58.462 59.763 -1.301 1
1 516 . 15 1 1 A 46 46 GLU HA H 46 3.961 4.028 -0.067 1
1 517 . 15 1 1 A 46 46 GLU CB C 46 29.956 29.517 0.439 1
1 523 . 15 1 1 A 46 46 GLU C C 46 177.685 178.595 -0.910 1
1 524 . 15 1 1 A 47 47 ALA N N 47 121.265 121.001 0.264 1
1 525 . 15 1 1 A 47 47 ALA H H 47 7.625 7.911 -0.286 1
1 526 . 15 1 1 A 47 47 ALA CA C 47 54.438 55.106 -0.668 1
1 527 . 15 1 1 A 47 47 ALA HA H 47 4.082 4.066 0.016 1
1 528 . 15 1 1 A 47 47 ALA CB C 47 18.192 18.645 -0.453 1
1 532 . 15 1 1 A 47 47 ALA C C 47 179.879 179.702 0.177 1
1 533 . 15 1 1 A 48 48 LYS N N 48 118.414 116.845 1.569 1
1 534 . 15 1 1 A 48 48 LYS H H 48 7.776 7.788 -0.012 1
1 535 . 15 1 1 A 48 48 LYS CA C 48 58.491 58.702 -0.211 1
1 536 . 15 1 1 A 48 48 LYS HA H 48 4.063 4.107 -0.044 1
1 537 . 15 1 1 A 48 48 LYS CB C 48 32.565 31.480 1.085 1
1 547 . 15 1 1 A 48 48 LYS C C 48 178.235 178.314 -0.079 1
1 548 . 15 1 1 A 49 49 ARG N N 49 120.324 119.639 0.685 1
1 549 . 15 1 1 A 49 49 ARG H H 49 7.968 8.076 -0.108 1
1 550 . 15 1 1 A 49 49 ARG CA C 49 58.156 58.527 -0.371 1
1 551 . 15 1 1 A 49 49 ARG HA H 49 4.140 4.159 -0.019 1
1 552 . 15 1 1 A 49 49 ARG CB C 49 30.349 30.236 0.113 1
1 561 . 15 1 1 A 49 49 ARG C C 49 177.985 177.841 0.144 1
1 562 . 15 1 1 A 50 50 LYS N N 50 120.001 117.367 2.634 1
1 563 . 15 1 1 A 50 50 LYS H H 50 8.051 8.192 -0.141 1
1 564 . 15 1 1 A 50 50 LYS CA C 50 58.185 58.228 -0.043 1
1 565 . 15 1 1 A 50 50 LYS HA H 50 4.099 4.187 -0.088 1
1 566 . 15 1 1 A 50 50 LYS CB C 50 32.645 32.724 -0.079 1
1 575 . 15 1 1 A 50 50 LYS C C 50 177.791 178.367 -0.576 1
1 576 . 15 1 1 A 51 51 LYS N N 51 120.458 119.693 0.765 1
1 577 . 15 1 1 A 51 51 LYS H H 51 7.915 7.794 0.121 1
1 578 . 15 1 1 A 51 51 LYS CA C 51 57.452 58.537 -1.085 1
1 579 . 15 1 1 A 51 51 LYS HA H 51 4.189 4.248 -0.059 1
1 580 . 15 1 1 A 51 51 LYS CB C 51 32.620 33.052 -0.432 1
1 590 . 15 1 1 A 51 51 LYS C C 51 177.670 178.479 -0.809 1
1 591 . 15 1 1 A 52 52 GLN N N 52 119.883 116.304 3.579 1
1 592 . 15 1 1 A 52 52 GLN H H 52 8.060 7.801 0.259 1
1 593 . 15 1 1 A 52 52 GLN CA C 52 56.866 58.285 -1.419 1
1 594 . 15 1 1 A 52 52 GLN HA H 52 4.213 4.128 0.085 1
1 595 . 15 1 1 A 52 52 GLN CB C 52 28.969 28.105 0.864 1
1 604 . 15 1 1 A 52 52 GLN C C 52 176.851 176.497 0.354 1
1 605 . 15 1 1 A 53 53 LEU N N 53 121.489 122.768 -1.279 1
1 606 . 15 1 1 A 53 53 LEU H H 53 8.027 7.537 0.490 1
1 607 . 15 1 1 A 53 53 LEU CA C 53 55.826 55.946 -0.120 1
1 608 . 15 1 1 A 53 53 LEU HA H 53 4.288 4.173 0.115 1
1 609 . 15 1 1 A 53 53 LEU CB C 53 42.379 42.141 0.238 1
1 622 . 15 1 1 A 53 53 LEU C C 53 177.973 177.423 0.550 1
1 623 . 15 1 1 A 54 54 GLU N N 54 120.395 120.507 -0.112 1
1 624 . 15 1 1 A 54 54 GLU H H 54 8.141 8.553 -0.412 1
1 625 . 15 1 1 A 54 54 GLU CA C 54 56.906 55.474 1.432 1
1 626 . 15 1 1 A 54 54 GLU HA H 54 4.291 4.658 -0.367 1
1 627 . 15 1 1 A 54 54 GLU CB C 54 30.228 28.946 1.282 1
1 633 . 15 1 1 A 54 54 GLU C C 54 176.762 177.541 -0.779 1
1 634 . 15 1 1 A 55 55 SER N N 55 115.834 116.845 -1.011 1
1 635 . 15 1 1 A 55 55 SER H H 55 8.178 8.182 -0.004 1
1 636 . 15 1 1 A 55 55 SER CA C 55 58.606 61.748 -3.142 1
1 637 . 15 1 1 A 55 55 SER HA H 55 4.492 4.210 0.282 1
1 638 . 15 1 1 A 55 55 SER CB C 55 63.869 63.724 0.145 1
1 641 . 15 1 1 A 55 55 SER C C 55 174.614 174.722 -0.108 1
1 642 . 15 1 1 A 56 56 GLY N N 56 110.601 105.311 5.290 1
1 643 . 15 1 1 A 56 56 GLY H H 56 8.163 7.388 0.775 1
1 644 . 15 1 1 A 56 56 GLY CA C 56 44.731 45.870 -1.139 1
1 645 . 15 1 1 A 56 56 GLY HA2 H 56 4.098 4.085 0.013 1
1 646 . 15 1 1 A 56 56 GLY HA3 H 56 4.167 4.085 0.082 1
1 647 . 15 1 1 A 56 56 GLY C C 56 171.805 172.471 -0.666 1
1 648 . 15 1 1 A 57 57 PRO CA C 57 63.271 62.571 0.700 1
1 649 . 15 1 1 A 57 57 PRO HA H 57 4.475 4.712 -0.237 1
1 650 . 15 1 1 A 57 57 PRO CB C 57 32.133 30.194 1.939 1
1 659 . 15 1 1 A 57 57 PRO C C 57 177.422 176.798 0.624 1
1 660 . 15 1 1 A 58 58 SER N N 58 116.422 115.521 0.901 1
1 661 . 15 1 1 A 58 58 SER H H 58 8.524 7.921 0.603 1
1 662 . 15 1 1 A 58 58 SER CA C 58 58.457 57.117 1.340 1
1 663 . 15 1 1 A 58 58 SER HA H 58 4.494 4.661 -0.167 1
1 664 . 15 1 1 A 58 58 SER CB C 58 63.945 64.821 -0.876 1
1 667 . 15 1 1 A 58 58 SER C C 58 174.720 174.095 0.625 1
1 668 . 15 1 1 A 59 59 SER N N 59 117.951 120.748 -2.797 1
1 669 . 15 1 1 A 59 59 SER H H 59 8.342 8.753 -0.411 1
1 670 . 15 1 1 A 59 59 SER CA C 59 58.327 59.257 -0.930 1
1 671 . 15 1 1 A 59 59 SER HA H 59 4.491 4.783 -0.292 1
1 672 . 15 1 1 A 59 59 SER CB C 59 63.965 63.590 0.375 1
1 675 . 15 1 1 A 59 59 SER C C 59 173.967 174.788 -0.821 1
1 1 . 16 1 1 A 5 5 SER N N 5 115.829 116.314 -0.485 1
1 2 . 16 1 1 A 5 5 SER CA C 5 58.317 59.063 -0.746 1
1 3 . 16 1 1 A 5 5 SER CB C 5 63.703 61.725 1.978 1
1 4 . 16 1 1 A 5 5 SER C C 5 174.849 173.411 1.438 1
1 5 . 16 1 1 A 6 6 SER N N 6 117.994 115.416 2.578 1
1 6 . 16 1 1 A 6 6 SER CA C 6 58.677 56.124 2.553 1
1 7 . 16 1 1 A 6 6 SER HA H 6 4.501 4.818 -0.317 1
1 8 . 16 1 1 A 6 6 SER CB C 6 63.732 66.233 -2.501 1
1 10 . 16 1 1 A 6 6 SER C C 6 175.043 173.273 1.770 1
1 11 . 16 1 1 A 7 7 GLY N N 7 110.716 111.466 -0.750 1
1 12 . 16 1 1 A 7 7 GLY H H 7 8.429 8.197 0.232 1
1 13 . 16 1 1 A 7 7 GLY CA C 7 45.403 45.788 -0.385 1
1 14 . 16 1 1 A 7 7 GLY HA2 H 7 3.976 4.111 -0.135 1
1 15 . 16 1 1 A 7 7 GLY HA3 H 7 3.976 4.113 -0.137 1
1 16 . 16 1 1 A 7 7 GLY C C 7 174.231 173.595 0.636 1
1 17 . 16 1 1 A 8 8 LEU N N 8 121.547 118.855 2.692 1
1 18 . 16 1 1 A 8 8 LEU H H 8 8.132 8.210 -0.078 1
1 19 . 16 1 1 A 8 8 LEU CA C 8 55.233 52.601 2.632 1
1 20 . 16 1 1 A 8 8 LEU HA H 8 4.356 5.038 -0.682 1
1 21 . 16 1 1 A 8 8 LEU CB C 8 42.416 44.572 -2.156 1
1 31 . 16 1 1 A 8 8 LEU C C 8 177.479 175.428 2.051 1
1 32 . 16 1 1 A 9 9 ASP N N 9 120.983 117.773 3.210 1
1 33 . 16 1 1 A 9 9 ASP H H 9 8.413 8.737 -0.324 1
1 34 . 16 1 1 A 9 9 ASP CA C 9 54.826 53.144 1.682 1
1 35 . 16 1 1 A 9 9 ASP HA H 9 4.555 5.333 -0.778 1
1 36 . 16 1 1 A 9 9 ASP CB C 9 40.967 44.186 -3.219 1
1 39 . 16 1 1 A 9 9 ASP C C 9 176.609 174.452 2.157 1
1 40 . 16 1 1 A 10 10 SER N N 10 115.538 114.693 0.845 1
1 41 . 16 1 1 A 10 10 SER H H 10 8.146 8.592 -0.446 1
1 42 . 16 1 1 A 10 10 SER CA C 10 58.926 57.098 1.828 1
1 43 . 16 1 1 A 10 10 SER HA H 10 4.361 4.818 -0.457 1
1 44 . 16 1 1 A 10 10 SER CB C 10 63.924 65.944 -2.020 1
1 47 . 16 1 1 A 10 10 SER C C 10 174.922 174.715 0.207 1
1 48 . 16 1 1 A 11 11 GLU N N 11 122.324 120.217 2.107 1
1 49 . 16 1 1 A 11 11 GLU H H 11 8.416 9.037 -0.621 1
1 50 . 16 1 1 A 11 11 GLU CA C 11 56.763 58.969 -2.206 1
1 51 . 16 1 1 A 11 11 GLU HA H 11 4.262 3.710 0.552 1
1 52 . 16 1 1 A 11 11 GLU CB C 11 29.860 29.213 0.647 1
1 58 . 16 1 1 A 11 11 GLU C C 11 176.347 176.806 -0.459 1
1 59 . 16 1 1 A 12 12 LEU N N 12 121.580 117.031 4.549 1
1 60 . 16 1 1 A 12 12 LEU H H 12 7.957 7.982 -0.025 1
1 61 . 16 1 1 A 12 12 LEU CA C 12 54.921 56.294 -1.373 1
1 62 . 16 1 1 A 12 12 LEU HA H 12 4.311 3.878 0.433 1
1 63 . 16 1 1 A 12 12 LEU CB C 12 42.313 40.494 1.819 1
1 76 . 16 1 1 A 12 12 LEU C C 12 176.945 175.922 1.023 1
1 77 . 16 1 1 A 13 13 GLU N N 13 122.146 110.039 12.107 1
1 78 . 16 1 1 A 13 13 GLU H H 13 8.088 8.442 -0.354 1
1 79 . 16 1 1 A 13 13 GLU CA C 13 56.222 57.130 -0.908 1
1 80 . 16 1 1 A 13 13 GLU HA H 13 4.236 3.787 0.449 1
1 81 . 16 1 1 A 13 13 GLU CB C 13 30.332 27.541 2.791 1
1 86 . 16 1 1 A 13 13 GLU C C 13 175.667 175.873 -0.206 1
1 87 . 16 1 1 A 14 14 LEU N N 14 123.302 120.303 2.999 1
1 88 . 16 1 1 A 14 14 LEU H H 14 8.331 7.815 0.516 1
1 89 . 16 1 1 A 14 14 LEU CA C 14 52.689 53.752 -1.063 1
1 90 . 16 1 1 A 14 14 LEU HA H 14 4.376 4.079 0.297 1
1 91 . 16 1 1 A 14 14 LEU CB C 14 41.859 41.397 0.462 1
1 104 . 16 1 1 A 14 14 LEU C C 14 174.694 177.348 -2.654 1
1 105 . 16 1 1 A 15 15 PRO CA C 15 61.808 65.901 -4.093 1
1 106 . 16 1 1 A 15 15 PRO HA H 15 4.509 4.443 0.066 1
1 107 . 16 1 1 A 15 15 PRO CB C 15 31.501 31.542 -0.041 1
1 116 . 16 1 1 A 15 15 PRO C C 15 175.733 176.512 -0.779 1
1 117 . 16 1 1 A 16 16 ALA N N 16 123.226 117.059 6.167 1
1 118 . 16 1 1 A 16 16 ALA H H 16 8.427 8.076 0.351 1
1 119 . 16 1 1 A 16 16 ALA CA C 16 53.836 51.495 2.341 1
1 120 . 16 1 1 A 16 16 ALA HA H 16 4.235 4.803 -0.568 1
1 121 . 16 1 1 A 16 16 ALA CB C 16 18.391 22.775 -4.384 1
1 125 . 16 1 1 A 16 16 ALA C C 16 178.641 177.098 1.543 1
1 126 . 16 1 1 A 17 17 GLY N N 17 110.263 109.948 0.315 1
1 127 . 16 1 1 A 17 17 GLY H H 17 8.816 8.766 0.050 1
1 128 . 16 1 1 A 17 17 GLY CA C 17 45.465 46.107 -0.642 1
1 129 . 16 1 1 A 17 17 GLY HA2 H 17 3.759 3.764 -0.005 1
1 130 . 16 1 1 A 17 17 GLY HA3 H 17 4.261 3.901 0.360 1
1 131 . 16 1 1 A 17 17 GLY C C 17 173.251 173.546 -0.295 1
1 132 . 16 1 1 A 18 18 TRP N N 18 118.263 119.263 -1.000 1
1 133 . 16 1 1 A 18 18 TRP H H 18 7.782 7.958 -0.176 1
1 134 . 16 1 1 A 18 18 TRP CA C 18 56.679 55.935 0.744 1
1 135 . 16 1 1 A 18 18 TRP HA H 18 5.840 5.163 0.677 1
1 136 . 16 1 1 A 18 18 TRP CB C 18 32.215 33.050 -0.835 1
1 151 . 16 1 1 A 18 18 TRP C C 18 177.038 174.906 2.132 1
1 152 . 16 1 1 A 19 19 GLU N N 19 122.023 123.244 -1.221 1
1 153 . 16 1 1 A 19 19 GLU H H 19 9.480 8.607 0.873 1
1 154 . 16 1 1 A 19 19 GLU CA C 19 55.126 55.336 -0.210 1
1 155 . 16 1 1 A 19 19 GLU HA H 19 4.679 5.015 -0.336 1
1 156 . 16 1 1 A 19 19 GLU CB C 19 34.865 33.652 1.213 1
1 162 . 16 1 1 A 19 19 GLU C C 19 173.752 174.869 -1.117 1
1 163 . 16 1 1 A 20 20 LYS N N 20 127.008 127.378 -0.370 1
1 164 . 16 1 1 A 20 20 LYS H H 20 8.848 8.662 0.186 1
1 165 . 16 1 1 A 20 20 LYS CA C 20 55.531 56.398 -0.867 1
1 166 . 16 1 1 A 20 20 LYS HA H 20 4.379 4.718 -0.339 1
1 167 . 16 1 1 A 20 20 LYS CB C 20 33.946 33.069 0.877 1
1 178 . 16 1 1 A 20 20 LYS C C 20 174.530 174.953 -0.423 1
1 179 . 16 1 1 A 21 21 ILE N N 21 130.740 129.140 1.600 1
1 180 . 16 1 1 A 21 21 ILE H H 21 8.894 9.133 -0.239 1
1 181 . 16 1 1 A 21 21 ILE CA C 21 58.996 60.041 -1.045 1
1 182 . 16 1 1 A 21 21 ILE HA H 21 4.035 4.434 -0.399 1
1 183 . 16 1 1 A 21 21 ILE CB C 21 38.249 38.214 0.035 1
1 196 . 16 1 1 A 21 21 ILE C C 21 173.612 174.409 -0.797 1
1 197 . 16 1 1 A 22 22 GLU N N 22 124.546 127.653 -3.107 1
1 198 . 16 1 1 A 22 22 GLU H H 22 8.273 8.784 -0.511 1
1 199 . 16 1 1 A 22 22 GLU CA C 22 54.652 55.325 -0.673 1
1 200 . 16 1 1 A 22 22 GLU HA H 22 4.429 4.681 -0.252 1
1 201 . 16 1 1 A 22 22 GLU CB C 22 29.876 30.900 -1.024 1
1 207 . 16 1 1 A 22 22 GLU C C 22 174.548 175.234 -0.686 1
1 208 . 16 1 1 A 23 23 ASP N N 23 128.325 126.161 2.164 1
1 209 . 16 1 1 A 23 23 ASP H H 23 8.368 8.857 -0.489 1
1 210 . 16 1 1 A 23 23 ASP CA C 23 51.555 50.550 1.005 1
1 211 . 16 1 1 A 23 23 ASP HA H 23 5.093 5.200 -0.107 1
1 212 . 16 1 1 A 23 23 ASP CB C 23 45.902 42.535 3.367 1
1 215 . 16 1 1 A 23 23 ASP C C 23 175.729 176.167 -0.438 1
1 216 . 16 1 1 A 24 24 PRO CA C 24 64.824 64.888 -0.064 1
1 217 . 16 1 1 A 24 24 PRO HA H 24 4.356 4.450 -0.094 1
1 218 . 16 1 1 A 24 24 PRO CB C 24 32.297 32.172 0.125 1
1 227 . 16 1 1 A 24 24 PRO C C 24 176.540 177.781 -1.241 1
1 228 . 16 1 1 A 25 25 VAL N N 25 118.640 116.143 2.497 1
1 229 . 16 1 1 A 25 25 VAL H H 25 8.485 7.814 0.671 1
1 230 . 16 1 1 A 25 25 VAL CA C 25 64.125 64.147 -0.022 1
1 231 . 16 1 1 A 25 25 VAL HA H 25 3.856 3.942 -0.086 1
1 232 . 16 1 1 A 25 25 VAL CB C 25 33.098 32.486 0.612 1
1 242 . 16 1 1 A 25 25 VAL C C 25 177.626 177.251 0.375 1
1 243 . 16 1 1 A 26 26 TYR N N 26 117.602 117.198 0.404 1
1 244 . 16 1 1 A 26 26 TYR H H 26 8.632 8.318 0.314 1
1 245 . 16 1 1 A 26 26 TYR CA C 26 59.189 59.520 -0.331 1
1 246 . 16 1 1 A 26 26 TYR HA H 26 4.469 4.513 -0.044 1
1 247 . 16 1 1 A 26 26 TYR CB C 26 39.193 38.817 0.376 1
1 258 . 16 1 1 A 26 26 TYR C C 26 176.124 176.574 -0.450 1
1 259 . 16 1 1 A 27 27 GLY N N 27 110.042 106.599 3.443 1
1 260 . 16 1 1 A 27 27 GLY H H 27 8.181 7.926 0.255 1
1 261 . 16 1 1 A 27 27 GLY CA C 27 44.979 44.560 0.419 1
1 262 . 16 1 1 A 27 27 GLY HA2 H 27 3.890 4.132 -0.242 1
1 263 . 16 1 1 A 27 27 GLY HA3 H 27 4.390 4.163 0.227 1
1 264 . 16 1 1 A 27 27 GLY C C 27 173.043 173.120 -0.077 1
1 265 . 16 1 1 A 28 28 ILE N N 28 121.278 121.235 0.043 1
1 266 . 16 1 1 A 28 28 ILE H H 28 8.259 8.181 0.078 1
1 267 . 16 1 1 A 28 28 ILE CA C 28 60.867 61.092 -0.225 1
1 268 . 16 1 1 A 28 28 ILE HA H 28 4.900 4.783 0.117 1
1 269 . 16 1 1 A 28 28 ILE CB C 28 38.763 38.036 0.727 1
1 282 . 16 1 1 A 28 28 ILE C C 28 176.805 175.040 1.765 1
1 283 . 16 1 1 A 29 29 TYR N N 29 124.534 124.409 0.125 1
1 284 . 16 1 1 A 29 29 TYR H H 29 8.822 8.611 0.211 1
1 285 . 16 1 1 A 29 29 TYR CA C 29 56.332 55.122 1.210 1
1 286 . 16 1 1 A 29 29 TYR HA H 29 4.712 5.016 -0.304 1
1 287 . 16 1 1 A 29 29 TYR CB C 29 38.879 41.719 -2.840 1
1 298 . 16 1 1 A 29 29 TYR C C 29 170.710 172.091 -1.381 1
1 299 . 16 1 1 A 30 30 TYR N N 30 116.432 120.231 -3.799 1
1 300 . 16 1 1 A 30 30 TYR H H 30 8.981 8.348 0.633 1
1 301 . 16 1 1 A 30 30 TYR CA C 30 56.921 57.177 -0.256 1
1 302 . 16 1 1 A 30 30 TYR HA H 30 5.417 5.658 -0.241 1
1 303 . 16 1 1 A 30 30 TYR CB C 30 41.603 40.702 0.901 1
1 314 . 16 1 1 A 30 30 TYR C C 30 174.825 174.901 -0.076 1
1 315 . 16 1 1 A 31 31 VAL N N 31 121.385 123.689 -2.304 1
1 316 . 16 1 1 A 31 31 VAL H H 31 9.266 9.056 0.210 1
1 317 . 16 1 1 A 31 31 VAL CA C 31 60.346 59.632 0.714 1
1 318 . 16 1 1 A 31 31 VAL HA H 31 4.610 4.995 -0.385 1
1 319 . 16 1 1 A 31 31 VAL CB C 31 35.393 34.276 1.117 1
1 329 . 16 1 1 A 31 31 VAL C C 31 173.103 173.447 -0.344 1
1 330 . 16 1 1 A 32 32 ASP N N 32 126.129 127.070 -0.941 1
1 331 . 16 1 1 A 32 32 ASP H H 32 8.340 9.030 -0.690 1
1 332 . 16 1 1 A 32 32 ASP CA C 32 51.134 53.507 -2.373 1
1 333 . 16 1 1 A 32 32 ASP HA H 32 3.702 4.939 -1.237 1
1 334 . 16 1 1 A 32 32 ASP CB C 32 39.252 41.191 -1.939 1
1 337 . 16 1 1 A 32 32 ASP C C 32 177.731 175.710 2.021 1
1 338 . 16 1 1 A 33 33 HIS N N 33 121.984 122.120 -0.136 1
1 339 . 16 1 1 A 33 33 HIS H H 33 8.728 8.062 0.666 1
1 340 . 16 1 1 A 33 33 HIS CA C 33 58.404 56.684 1.720 1
1 341 . 16 1 1 A 33 33 HIS HA H 33 4.218 4.580 -0.362 1
1 342 . 16 1 1 A 33 33 HIS CB C 33 30.594 29.041 1.553 1
1 349 . 16 1 1 A 33 33 HIS C C 33 176.844 175.954 0.890 1
1 350 . 16 1 1 A 34 34 ILE N N 34 120.023 117.497 2.526 1
1 351 . 16 1 1 A 34 34 ILE H H 34 8.090 7.474 0.616 1
1 352 . 16 1 1 A 34 34 ILE CA C 34 63.382 62.206 1.176 1
1 353 . 16 1 1 A 34 34 ILE HA H 34 3.845 4.051 -0.206 1
1 354 . 16 1 1 A 34 34 ILE CB C 34 37.023 39.533 -2.510 1
1 367 . 16 1 1 A 34 34 ILE C C 34 177.464 177.220 0.244 1
1 368 . 16 1 1 A 35 35 ASN N N 35 115.543 117.537 -1.994 1
1 369 . 16 1 1 A 35 35 ASN H H 35 7.620 7.623 -0.003 1
1 370 . 16 1 1 A 35 35 ASN CA C 35 53.139 52.116 1.023 1
1 371 . 16 1 1 A 35 35 ASN HA H 35 4.587 4.829 -0.242 1
1 372 . 16 1 1 A 35 35 ASN CB C 35 38.909 39.570 -0.661 1
1 378 . 16 1 1 A 35 35 ASN C C 35 173.887 174.396 -0.509 1
1 379 . 16 1 1 A 36 36 ARG N N 36 117.698 116.584 1.114 1
1 380 . 16 1 1 A 36 36 ARG H H 36 7.596 7.852 -0.256 1
1 381 . 16 1 1 A 36 36 ARG CA C 36 56.824 57.084 -0.260 1
1 382 . 16 1 1 A 36 36 ARG HA H 36 3.850 3.966 -0.116 1
1 383 . 16 1 1 A 36 36 ARG CB C 36 26.161 27.062 -0.901 1
1 390 . 16 1 1 A 36 36 ARG C C 36 174.732 174.396 0.336 1
1 391 . 16 1 1 A 37 37 LYS N N 37 117.773 117.245 0.528 1
1 392 . 16 1 1 A 37 37 LYS H H 37 7.471 7.322 0.149 1
1 393 . 16 1 1 A 37 37 LYS CA C 37 54.528 54.681 -0.153 1
1 394 . 16 1 1 A 37 37 LYS HA H 37 4.795 4.922 -0.127 1
1 395 . 16 1 1 A 37 37 LYS CB C 37 36.493 35.324 1.169 1
1 404 . 16 1 1 A 37 37 LYS C C 37 174.870 175.698 -0.828 1
1 405 . 16 1 1 A 38 38 THR N N 38 114.635 114.327 0.308 1
1 406 . 16 1 1 A 38 38 THR H H 38 8.322 8.692 -0.370 1
1 407 . 16 1 1 A 38 38 THR CA C 38 60.506 60.582 -0.076 1
1 408 . 16 1 1 A 38 38 THR HA H 38 5.390 5.483 -0.093 1
1 409 . 16 1 1 A 38 38 THR CB C 38 71.424 71.238 0.186 1
1 415 . 16 1 1 A 38 38 THR C C 38 173.840 173.745 0.095 1
1 416 . 16 1 1 A 39 39 GLN N N 39 117.672 123.311 -5.639 1
1 417 . 16 1 1 A 39 39 GLN H H 39 9.335 8.469 0.866 1
1 418 . 16 1 1 A 39 39 GLN CA C 39 54.878 54.600 0.278 1
1 419 . 16 1 1 A 39 39 GLN HA H 39 4.899 5.080 -0.181 1
1 420 . 16 1 1 A 39 39 GLN CB C 39 32.186 32.543 -0.357 1
1 429 . 16 1 1 A 39 39 GLN C C 39 174.549 175.643 -1.094 1
1 430 . 16 1 1 A 40 40 TYR N N 40 119.391 121.032 -1.641 1
1 431 . 16 1 1 A 40 40 TYR H H 40 8.858 9.436 -0.578 1
1 432 . 16 1 1 A 40 40 TYR CA C 40 60.804 60.864 -0.060 1
1 433 . 16 1 1 A 40 40 TYR HA H 40 4.752 4.237 0.515 1
1 434 . 16 1 1 A 40 40 TYR CB C 40 39.167 38.853 0.314 1
1 445 . 16 1 1 A 40 40 TYR C C 40 176.295 176.952 -0.657 1
1 446 . 16 1 1 A 41 41 GLU N N 41 119.491 118.352 1.139 1
1 447 . 16 1 1 A 41 41 GLU H H 41 8.079 7.976 0.103 1
1 448 . 16 1 1 A 41 41 GLU CA C 41 56.296 57.451 -1.155 1
1 449 . 16 1 1 A 41 41 GLU HA H 41 4.351 4.273 0.078 1
1 450 . 16 1 1 A 41 41 GLU CB C 41 30.517 30.469 0.048 1
1 456 . 16 1 1 A 41 41 GLU C C 41 175.460 176.130 -0.670 1
1 457 . 16 1 1 A 42 42 ASN N N 42 125.050 124.462 0.588 1
1 458 . 16 1 1 A 42 42 ASN H H 42 8.720 8.721 -0.001 1
1 459 . 16 1 1 A 42 42 ASN CA C 42 51.186 50.923 0.263 1
1 460 . 16 1 1 A 42 42 ASN HA H 42 2.979 4.783 -1.804 1
1 461 . 16 1 1 A 42 42 ASN CB C 42 38.637 39.708 -1.071 1
1 467 . 16 1 1 A 42 42 ASN C C 42 174.950 175.382 -0.432 1
1 468 . 16 1 1 A 43 43 PRO CA C 43 63.681 65.199 -1.518 1
1 469 . 16 1 1 A 43 43 PRO HA H 43 3.869 4.149 -0.280 1
1 470 . 16 1 1 A 43 43 PRO CB C 43 31.408 31.014 0.394 1
1 479 . 16 1 1 A 43 43 PRO C C 43 178.273 178.662 -0.389 1
1 480 . 16 1 1 A 44 44 VAL N N 44 119.901 115.492 4.409 1
1 481 . 16 1 1 A 44 44 VAL H H 44 7.968 7.254 0.714 1
1 482 . 16 1 1 A 44 44 VAL CA C 44 64.744 65.706 -0.962 1
1 483 . 16 1 1 A 44 44 VAL HA H 44 3.646 3.528 0.118 1
1 484 . 16 1 1 A 44 44 VAL CB C 44 31.581 31.372 0.209 1
1 494 . 16 1 1 A 44 44 VAL C C 44 177.625 178.274 -0.649 1
1 495 . 16 1 1 A 45 45 LEU N N 45 120.711 119.146 1.565 1
1 496 . 16 1 1 A 45 45 LEU H H 45 7.076 7.920 -0.844 1
1 497 . 16 1 1 A 45 45 LEU CA C 45 56.822 57.965 -1.143 1
1 498 . 16 1 1 A 45 45 LEU HA H 45 3.994 3.894 0.100 1
1 499 . 16 1 1 A 45 45 LEU CB C 45 41.194 41.194 0.000 1
1 512 . 16 1 1 A 45 45 LEU C C 45 179.099 178.978 0.121 1
1 513 . 16 1 1 A 46 46 GLU N N 46 120.581 119.711 0.870 1
1 514 . 16 1 1 A 46 46 GLU H H 46 8.001 7.968 0.033 1
1 515 . 16 1 1 A 46 46 GLU CA C 46 58.462 59.382 -0.920 1
1 516 . 16 1 1 A 46 46 GLU HA H 46 3.961 4.030 -0.069 1
1 517 . 16 1 1 A 46 46 GLU CB C 46 29.956 29.392 0.564 1
1 523 . 16 1 1 A 46 46 GLU C C 46 177.685 178.398 -0.713 1
1 524 . 16 1 1 A 47 47 ALA N N 47 121.265 121.052 0.213 1
1 525 . 16 1 1 A 47 47 ALA H H 47 7.625 8.172 -0.547 1
1 526 . 16 1 1 A 47 47 ALA CA C 47 54.438 54.959 -0.521 1
1 527 . 16 1 1 A 47 47 ALA HA H 47 4.082 4.110 -0.028 1
1 528 . 16 1 1 A 47 47 ALA CB C 47 18.192 18.533 -0.341 1
1 532 . 16 1 1 A 47 47 ALA C C 47 179.879 179.673 0.206 1
1 533 . 16 1 1 A 48 48 LYS N N 48 118.414 116.700 1.714 1
1 534 . 16 1 1 A 48 48 LYS H H 48 7.776 7.919 -0.143 1
1 535 . 16 1 1 A 48 48 LYS CA C 48 58.491 58.822 -0.331 1
1 536 . 16 1 1 A 48 48 LYS HA H 48 4.063 4.104 -0.041 1
1 537 . 16 1 1 A 48 48 LYS CB C 48 32.565 31.418 1.147 1
1 547 . 16 1 1 A 48 48 LYS C C 48 178.235 178.342 -0.107 1
1 548 . 16 1 1 A 49 49 ARG N N 49 120.324 119.766 0.558 1
1 549 . 16 1 1 A 49 49 ARG H H 49 7.968 8.189 -0.221 1
1 550 . 16 1 1 A 49 49 ARG CA C 49 58.156 58.493 -0.337 1
1 551 . 16 1 1 A 49 49 ARG HA H 49 4.140 4.142 -0.002 1
1 552 . 16 1 1 A 49 49 ARG CB C 49 30.349 30.374 -0.025 1
1 561 . 16 1 1 A 49 49 ARG C C 49 177.985 177.941 0.044 1
1 562 . 16 1 1 A 50 50 LYS N N 50 120.001 117.761 2.240 1
1 563 . 16 1 1 A 50 50 LYS H H 50 8.051 8.308 -0.257 1
1 564 . 16 1 1 A 50 50 LYS CA C 50 58.185 58.246 -0.061 1
1 565 . 16 1 1 A 50 50 LYS HA H 50 4.099 4.233 -0.134 1
1 566 . 16 1 1 A 50 50 LYS CB C 50 32.645 32.886 -0.241 1
1 575 . 16 1 1 A 50 50 LYS C C 50 177.791 178.878 -1.087 1
1 576 . 16 1 1 A 51 51 LYS N N 51 120.458 120.103 0.355 1
1 577 . 16 1 1 A 51 51 LYS H H 51 7.915 8.320 -0.405 1
1 578 . 16 1 1 A 51 51 LYS CA C 51 57.452 58.842 -1.390 1
1 579 . 16 1 1 A 51 51 LYS HA H 51 4.189 4.154 0.035 1
1 580 . 16 1 1 A 51 51 LYS CB C 51 32.620 32.785 -0.165 1
1 590 . 16 1 1 A 51 51 LYS C C 51 177.670 178.685 -1.015 1
1 591 . 16 1 1 A 52 52 GLN N N 52 119.883 116.380 3.503 1
1 592 . 16 1 1 A 52 52 GLN H H 52 8.060 7.808 0.252 1
1 593 . 16 1 1 A 52 52 GLN CA C 52 56.866 58.316 -1.450 1
1 594 . 16 1 1 A 52 52 GLN HA H 52 4.213 4.119 0.094 1
1 595 . 16 1 1 A 52 52 GLN CB C 52 28.969 27.945 1.024 1
1 604 . 16 1 1 A 52 52 GLN C C 52 176.851 176.506 0.345 1
1 605 . 16 1 1 A 53 53 LEU N N 53 121.489 122.718 -1.229 1
1 606 . 16 1 1 A 53 53 LEU H H 53 8.027 7.667 0.360 1
1 607 . 16 1 1 A 53 53 LEU CA C 53 55.826 55.918 -0.092 1
1 608 . 16 1 1 A 53 53 LEU HA H 53 4.288 4.172 0.116 1
1 609 . 16 1 1 A 53 53 LEU CB C 53 42.379 42.112 0.267 1
1 622 . 16 1 1 A 53 53 LEU C C 53 177.973 176.743 1.230 1
1 623 . 16 1 1 A 54 54 GLU N N 54 120.395 125.749 -5.354 1
1 624 . 16 1 1 A 54 54 GLU H H 54 8.141 8.946 -0.805 1
1 625 . 16 1 1 A 54 54 GLU CA C 54 56.906 57.547 -0.641 1
1 626 . 16 1 1 A 54 54 GLU HA H 54 4.291 4.587 -0.296 1
1 627 . 16 1 1 A 54 54 GLU CB C 54 30.228 31.753 -1.525 1
1 633 . 16 1 1 A 54 54 GLU C C 54 176.762 176.260 0.502 1
1 634 . 16 1 1 A 55 55 SER N N 55 115.834 116.420 -0.586 1
1 635 . 16 1 1 A 55 55 SER H H 55 8.178 7.893 0.285 1
1 636 . 16 1 1 A 55 55 SER CA C 55 58.606 57.192 1.414 1
1 637 . 16 1 1 A 55 55 SER HA H 55 4.492 4.946 -0.454 1
1 638 . 16 1 1 A 55 55 SER CB C 55 63.869 65.224 -1.355 1
1 641 . 16 1 1 A 55 55 SER C C 55 174.614 174.284 0.330 1
1 642 . 16 1 1 A 56 56 GLY N N 56 110.601 110.378 0.223 1
1 643 . 16 1 1 A 56 56 GLY H H 56 8.163 8.231 -0.068 1
1 644 . 16 1 1 A 56 56 GLY CA C 56 44.731 46.228 -1.497 1
1 645 . 16 1 1 A 56 56 GLY HA2 H 56 4.098 4.211 -0.113 1
1 646 . 16 1 1 A 56 56 GLY HA3 H 56 4.167 4.211 -0.044 1
1 647 . 16 1 1 A 56 56 GLY C C 56 171.805 172.025 -0.220 1
1 648 . 16 1 1 A 57 57 PRO CA C 57 63.271 63.193 0.078 1
1 649 . 16 1 1 A 57 57 PRO HA H 57 4.475 4.262 0.213 1
1 650 . 16 1 1 A 57 57 PRO CB C 57 32.133 32.200 -0.067 1
1 659 . 16 1 1 A 57 57 PRO C C 57 177.422 176.934 0.488 1
1 660 . 16 1 1 A 58 58 SER N N 58 116.422 113.453 2.969 1
1 661 . 16 1 1 A 58 58 SER H H 58 8.524 8.803 -0.279 1
1 662 . 16 1 1 A 58 58 SER CA C 58 58.457 59.217 -0.760 1
1 663 . 16 1 1 A 58 58 SER HA H 58 4.494 3.987 0.507 1
1 664 . 16 1 1 A 58 58 SER CB C 58 63.945 61.837 2.108 1
1 667 . 16 1 1 A 58 58 SER C C 58 174.720 174.566 0.154 1
1 668 . 16 1 1 A 59 59 SER N N 59 117.951 115.514 2.437 1
1 669 . 16 1 1 A 59 59 SER H H 59 8.342 8.008 0.334 1
1 670 . 16 1 1 A 59 59 SER CA C 59 58.327 61.435 -3.108 1
1 671 . 16 1 1 A 59 59 SER HA H 59 4.491 4.200 0.291 1
1 672 . 16 1 1 A 59 59 SER CB C 59 63.965 63.654 0.311 1
1 675 . 16 1 1 A 59 59 SER C C 59 173.967 174.779 -0.812 1
1 1 . 17 1 1 A 5 5 SER N N 5 115.829 116.977 -1.148 1
1 2 . 17 1 1 A 5 5 SER CA C 5 58.317 58.538 -0.221 1
1 3 . 17 1 1 A 5 5 SER CB C 5 63.703 63.662 0.041 1
1 4 . 17 1 1 A 5 5 SER C C 5 174.849 173.872 0.977 1
1 5 . 17 1 1 A 6 6 SER N N 6 117.994 120.110 -2.116 1
1 6 . 17 1 1 A 6 6 SER CA C 6 58.677 59.680 -1.003 1
1 7 . 17 1 1 A 6 6 SER HA H 6 4.501 4.294 0.207 1
1 8 . 17 1 1 A 6 6 SER CB C 6 63.732 62.985 0.747 1
1 10 . 17 1 1 A 6 6 SER C C 6 175.043 174.769 0.274 1
1 11 . 17 1 1 A 7 7 GLY N N 7 110.716 116.374 -5.658 1
1 12 . 17 1 1 A 7 7 GLY H H 7 8.429 8.841 -0.412 1
1 13 . 17 1 1 A 7 7 GLY CA C 7 45.403 46.045 -0.642 1
1 14 . 17 1 1 A 7 7 GLY HA2 H 7 3.976 3.887 0.089 1
1 15 . 17 1 1 A 7 7 GLY HA3 H 7 3.976 3.889 0.087 1
1 16 . 17 1 1 A 7 7 GLY C C 7 174.231 173.898 0.333 1
1 17 . 17 1 1 A 8 8 LEU N N 8 121.547 120.141 1.406 1
1 18 . 17 1 1 A 8 8 LEU H H 8 8.132 8.113 0.019 1
1 19 . 17 1 1 A 8 8 LEU CA C 8 55.233 53.233 2.000 1
1 20 . 17 1 1 A 8 8 LEU HA H 8 4.356 4.969 -0.613 1
1 21 . 17 1 1 A 8 8 LEU CB C 8 42.416 43.823 -1.407 1
1 31 . 17 1 1 A 8 8 LEU C C 8 177.479 175.064 2.415 1
1 32 . 17 1 1 A 9 9 ASP N N 9 120.983 119.611 1.372 1
1 33 . 17 1 1 A 9 9 ASP H H 9 8.413 8.616 -0.203 1
1 34 . 17 1 1 A 9 9 ASP CA C 9 54.826 52.723 2.103 1
1 35 . 17 1 1 A 9 9 ASP HA H 9 4.555 5.347 -0.792 1
1 36 . 17 1 1 A 9 9 ASP CB C 9 40.967 44.362 -3.395 1
1 39 . 17 1 1 A 9 9 ASP C C 9 176.609 174.764 1.845 1
1 40 . 17 1 1 A 10 10 SER N N 10 115.538 114.287 1.251 1
1 41 . 17 1 1 A 10 10 SER H H 10 8.146 8.563 -0.417 1
1 42 . 17 1 1 A 10 10 SER CA C 10 58.926 56.223 2.703 1
1 43 . 17 1 1 A 10 10 SER HA H 10 4.361 5.124 -0.763 1
1 44 . 17 1 1 A 10 10 SER CB C 10 63.924 65.659 -1.735 1
1 47 . 17 1 1 A 10 10 SER C C 10 174.922 174.761 0.161 1
1 48 . 17 1 1 A 11 11 GLU N N 11 122.324 124.099 -1.775 1
1 49 . 17 1 1 A 11 11 GLU H H 11 8.416 9.118 -0.702 1
1 50 . 17 1 1 A 11 11 GLU CA C 11 56.763 59.007 -2.244 1
1 51 . 17 1 1 A 11 11 GLU HA H 11 4.262 3.700 0.562 1
1 52 . 17 1 1 A 11 11 GLU CB C 11 29.860 29.260 0.600 1
1 58 . 17 1 1 A 11 11 GLU C C 11 176.347 176.758 -0.411 1
1 59 . 17 1 1 A 12 12 LEU N N 12 121.580 116.967 4.613 1
1 60 . 17 1 1 A 12 12 LEU H H 12 7.957 8.006 -0.049 1
1 61 . 17 1 1 A 12 12 LEU CA C 12 54.921 56.312 -1.391 1
1 62 . 17 1 1 A 12 12 LEU HA H 12 4.311 3.883 0.428 1
1 63 . 17 1 1 A 12 12 LEU CB C 12 42.313 40.502 1.811 1
1 76 . 17 1 1 A 12 12 LEU C C 12 176.945 175.921 1.024 1
1 77 . 17 1 1 A 13 13 GLU N N 13 122.146 110.040 12.106 1
1 78 . 17 1 1 A 13 13 GLU H H 13 8.088 8.440 -0.352 1
1 79 . 17 1 1 A 13 13 GLU CA C 13 56.222 57.095 -0.873 1
1 80 . 17 1 1 A 13 13 GLU HA H 13 4.236 3.779 0.457 1
1 81 . 17 1 1 A 13 13 GLU CB C 13 30.332 27.538 2.794 1
1 86 . 17 1 1 A 13 13 GLU C C 13 175.667 175.863 -0.196 1
1 87 . 17 1 1 A 14 14 LEU N N 14 123.302 120.297 3.005 1
1 88 . 17 1 1 A 14 14 LEU H H 14 8.331 7.804 0.527 1
1 89 . 17 1 1 A 14 14 LEU CA C 14 52.689 53.733 -1.044 1
1 90 . 17 1 1 A 14 14 LEU HA H 14 4.376 4.064 0.312 1
1 91 . 17 1 1 A 14 14 LEU CB C 14 41.859 41.372 0.487 1
1 104 . 17 1 1 A 14 14 LEU C C 14 174.694 177.193 -2.499 1
1 105 . 17 1 1 A 15 15 PRO CA C 15 61.808 65.885 -4.077 1
1 106 . 17 1 1 A 15 15 PRO HA H 15 4.509 4.409 0.100 1
1 107 . 17 1 1 A 15 15 PRO CB C 15 31.501 31.530 -0.029 1
1 116 . 17 1 1 A 15 15 PRO C C 15 175.733 176.490 -0.757 1
1 117 . 17 1 1 A 16 16 ALA N N 16 123.226 117.035 6.191 1
1 118 . 17 1 1 A 16 16 ALA H H 16 8.427 8.048 0.379 1
1 119 . 17 1 1 A 16 16 ALA CA C 16 53.836 51.462 2.374 1
1 120 . 17 1 1 A 16 16 ALA HA H 16 4.235 4.759 -0.524 1
1 121 . 17 1 1 A 16 16 ALA CB C 16 18.391 22.750 -4.359 1
1 125 . 17 1 1 A 16 16 ALA C C 16 178.641 177.063 1.578 1
1 126 . 17 1 1 A 17 17 GLY N N 17 110.263 109.949 0.314 1
1 127 . 17 1 1 A 17 17 GLY H H 17 8.816 8.674 0.142 1
1 128 . 17 1 1 A 17 17 GLY CA C 17 45.465 46.016 -0.551 1
1 129 . 17 1 1 A 17 17 GLY HA2 H 17 3.759 3.707 0.052 1
1 130 . 17 1 1 A 17 17 GLY HA3 H 17 4.261 3.731 0.530 1
1 131 . 17 1 1 A 17 17 GLY C C 17 173.251 173.524 -0.273 1
1 132 . 17 1 1 A 18 18 TRP N N 18 118.263 119.141 -0.878 1
1 133 . 17 1 1 A 18 18 TRP H H 18 7.782 7.831 -0.049 1
1 134 . 17 1 1 A 18 18 TRP CA C 18 56.679 55.960 0.719 1
1 135 . 17 1 1 A 18 18 TRP HA H 18 5.840 5.119 0.721 1
1 136 . 17 1 1 A 18 18 TRP CB C 18 32.215 32.799 -0.584 1
1 151 . 17 1 1 A 18 18 TRP C C 18 177.038 175.337 1.701 1
1 152 . 17 1 1 A 19 19 GLU N N 19 122.023 123.643 -1.620 1
1 153 . 17 1 1 A 19 19 GLU H H 19 9.480 8.762 0.718 1
1 154 . 17 1 1 A 19 19 GLU CA C 19 55.126 55.067 0.059 1
1 155 . 17 1 1 A 19 19 GLU HA H 19 4.679 5.027 -0.348 1
1 156 . 17 1 1 A 19 19 GLU CB C 19 34.865 33.161 1.704 1
1 162 . 17 1 1 A 19 19 GLU C C 19 173.752 174.919 -1.167 1
1 163 . 17 1 1 A 20 20 LYS N N 20 127.008 127.780 -0.772 1
1 164 . 17 1 1 A 20 20 LYS H H 20 8.848 8.640 0.208 1
1 165 . 17 1 1 A 20 20 LYS CA C 20 55.531 56.501 -0.970 1
1 166 . 17 1 1 A 20 20 LYS HA H 20 4.379 4.766 -0.387 1
1 167 . 17 1 1 A 20 20 LYS CB C 20 33.946 33.082 0.864 1
1 178 . 17 1 1 A 20 20 LYS C C 20 174.530 175.008 -0.478 1
1 179 . 17 1 1 A 21 21 ILE N N 21 130.740 129.171 1.569 1
1 180 . 17 1 1 A 21 21 ILE H H 21 8.894 9.076 -0.182 1
1 181 . 17 1 1 A 21 21 ILE CA C 21 58.996 59.846 -0.850 1
1 182 . 17 1 1 A 21 21 ILE HA H 21 4.035 4.622 -0.587 1
1 183 . 17 1 1 A 21 21 ILE CB C 21 38.249 37.853 0.396 1
1 196 . 17 1 1 A 21 21 ILE C C 21 173.612 174.530 -0.918 1
1 197 . 17 1 1 A 22 22 GLU N N 22 124.546 127.413 -2.867 1
1 198 . 17 1 1 A 22 22 GLU H H 22 8.273 8.775 -0.502 1
1 199 . 17 1 1 A 22 22 GLU CA C 22 54.652 55.089 -0.437 1
1 200 . 17 1 1 A 22 22 GLU HA H 22 4.429 4.708 -0.279 1
1 201 . 17 1 1 A 22 22 GLU CB C 22 29.876 31.058 -1.182 1
1 207 . 17 1 1 A 22 22 GLU C C 22 174.548 175.397 -0.849 1
1 208 . 17 1 1 A 23 23 ASP N N 23 128.325 125.915 2.410 1
1 209 . 17 1 1 A 23 23 ASP H H 23 8.368 8.877 -0.509 1
1 210 . 17 1 1 A 23 23 ASP CA C 23 51.555 50.535 1.020 1
1 211 . 17 1 1 A 23 23 ASP HA H 23 5.093 5.212 -0.119 1
1 212 . 17 1 1 A 23 23 ASP CB C 23 45.902 42.843 3.059 1
1 215 . 17 1 1 A 23 23 ASP C C 23 175.729 176.153 -0.424 1
1 216 . 17 1 1 A 24 24 PRO CA C 24 64.824 64.860 -0.036 1
1 217 . 17 1 1 A 24 24 PRO HA H 24 4.356 4.420 -0.064 1
1 218 . 17 1 1 A 24 24 PRO CB C 24 32.297 32.190 0.107 1
1 227 . 17 1 1 A 24 24 PRO C C 24 176.540 178.061 -1.521 1
1 228 . 17 1 1 A 25 25 VAL N N 25 118.640 116.140 2.500 1
1 229 . 17 1 1 A 25 25 VAL H H 25 8.485 7.732 0.753 1
1 230 . 17 1 1 A 25 25 VAL CA C 25 64.125 64.297 -0.172 1
1 231 . 17 1 1 A 25 25 VAL HA H 25 3.856 3.908 -0.052 1
1 232 . 17 1 1 A 25 25 VAL CB C 25 33.098 32.212 0.886 1
1 242 . 17 1 1 A 25 25 VAL C C 25 177.626 177.339 0.287 1
1 243 . 17 1 1 A 26 26 TYR N N 26 117.602 117.217 0.385 1
1 244 . 17 1 1 A 26 26 TYR H H 26 8.632 8.271 0.361 1
1 245 . 17 1 1 A 26 26 TYR CA C 26 59.189 59.521 -0.332 1
1 246 . 17 1 1 A 26 26 TYR HA H 26 4.469 4.489 -0.020 1
1 247 . 17 1 1 A 26 26 TYR CB C 26 39.193 38.921 0.272 1
1 258 . 17 1 1 A 26 26 TYR C C 26 176.124 176.512 -0.388 1
1 259 . 17 1 1 A 27 27 GLY N N 27 110.042 106.440 3.602 1
1 260 . 17 1 1 A 27 27 GLY H H 27 8.181 7.963 0.218 1
1 261 . 17 1 1 A 27 27 GLY CA C 27 44.979 44.402 0.577 1
1 262 . 17 1 1 A 27 27 GLY HA2 H 27 3.890 4.105 -0.215 1
1 263 . 17 1 1 A 27 27 GLY HA3 H 27 4.390 4.115 0.275 1
1 264 . 17 1 1 A 27 27 GLY C C 27 173.043 173.156 -0.113 1
1 265 . 17 1 1 A 28 28 ILE N N 28 121.278 121.346 -0.068 1
1 266 . 17 1 1 A 28 28 ILE H H 28 8.259 8.237 0.022 1
1 267 . 17 1 1 A 28 28 ILE CA C 28 60.867 61.213 -0.346 1
1 268 . 17 1 1 A 28 28 ILE HA H 28 4.900 4.709 0.191 1
1 269 . 17 1 1 A 28 28 ILE CB C 28 38.763 37.884 0.879 1
1 282 . 17 1 1 A 28 28 ILE C C 28 176.805 174.936 1.869 1
1 283 . 17 1 1 A 29 29 TYR N N 29 124.534 123.859 0.675 1
1 284 . 17 1 1 A 29 29 TYR H H 29 8.822 8.792 0.030 1
1 285 . 17 1 1 A 29 29 TYR CA C 29 56.332 55.346 0.986 1
1 286 . 17 1 1 A 29 29 TYR HA H 29 4.712 5.051 -0.339 1
1 287 . 17 1 1 A 29 29 TYR CB C 29 38.879 41.748 -2.869 1
1 298 . 17 1 1 A 29 29 TYR C C 29 170.710 172.089 -1.379 1
1 299 . 17 1 1 A 30 30 TYR N N 30 116.432 120.702 -4.270 1
1 300 . 17 1 1 A 30 30 TYR H H 30 8.981 8.436 0.545 1
1 301 . 17 1 1 A 30 30 TYR CA C 30 56.921 57.774 -0.853 1
1 302 . 17 1 1 A 30 30 TYR HA H 30 5.417 5.457 -0.040 1
1 303 . 17 1 1 A 30 30 TYR CB C 30 41.603 40.208 1.395 1
1 314 . 17 1 1 A 30 30 TYR C C 30 174.825 175.228 -0.403 1
1 315 . 17 1 1 A 31 31 VAL N N 31 121.385 124.301 -2.916 1
1 316 . 17 1 1 A 31 31 VAL H H 31 9.266 9.330 -0.064 1
1 317 . 17 1 1 A 31 31 VAL CA C 31 60.346 60.010 0.336 1
1 318 . 17 1 1 A 31 31 VAL HA H 31 4.610 5.020 -0.410 1
1 319 . 17 1 1 A 31 31 VAL CB C 31 35.393 34.272 1.121 1
1 329 . 17 1 1 A 31 31 VAL C C 31 173.103 173.913 -0.810 1
1 330 . 17 1 1 A 32 32 ASP N N 32 126.129 127.331 -1.202 1
1 331 . 17 1 1 A 32 32 ASP H H 32 8.340 9.237 -0.897 1
1 332 . 17 1 1 A 32 32 ASP CA C 32 51.134 53.681 -2.547 1
1 333 . 17 1 1 A 32 32 ASP HA H 32 3.702 4.811 -1.109 1
1 334 . 17 1 1 A 32 32 ASP CB C 32 39.252 41.812 -2.560 1
1 337 . 17 1 1 A 32 32 ASP C C 32 177.731 175.933 1.798 1
1 338 . 17 1 1 A 33 33 HIS N N 33 121.984 121.783 0.201 1
1 339 . 17 1 1 A 33 33 HIS H H 33 8.728 8.308 0.420 1
1 340 . 17 1 1 A 33 33 HIS CA C 33 58.404 55.895 2.509 1
1 341 . 17 1 1 A 33 33 HIS HA H 33 4.218 4.610 -0.392 1
1 342 . 17 1 1 A 33 33 HIS CB C 33 30.594 29.167 1.427 1
1 349 . 17 1 1 A 33 33 HIS C C 33 176.844 175.580 1.264 1
1 350 . 17 1 1 A 34 34 ILE N N 34 120.023 117.982 2.041 1
1 351 . 17 1 1 A 34 34 ILE H H 34 8.090 7.520 0.570 1
1 352 . 17 1 1 A 34 34 ILE CA C 34 63.382 62.432 0.950 1
1 353 . 17 1 1 A 34 34 ILE HA H 34 3.845 4.030 -0.185 1
1 354 . 17 1 1 A 34 34 ILE CB C 34 37.023 40.017 -2.994 1
1 367 . 17 1 1 A 34 34 ILE C C 34 177.464 177.265 0.199 1
1 368 . 17 1 1 A 35 35 ASN N N 35 115.543 116.942 -1.399 1
1 369 . 17 1 1 A 35 35 ASN H H 35 7.620 7.924 -0.304 1
1 370 . 17 1 1 A 35 35 ASN CA C 35 53.139 52.818 0.321 1
1 371 . 17 1 1 A 35 35 ASN HA H 35 4.587 4.770 -0.183 1
1 372 . 17 1 1 A 35 35 ASN CB C 35 38.909 38.746 0.163 1
1 378 . 17 1 1 A 35 35 ASN C C 35 173.887 174.424 -0.537 1
1 379 . 17 1 1 A 36 36 ARG N N 36 117.698 116.571 1.127 1
1 380 . 17 1 1 A 36 36 ARG H H 36 7.596 7.830 -0.234 1
1 381 . 17 1 1 A 36 36 ARG CA C 36 56.824 57.075 -0.251 1
1 382 . 17 1 1 A 36 36 ARG HA H 36 3.850 3.829 0.021 1
1 383 . 17 1 1 A 36 36 ARG CB C 36 26.161 27.247 -1.086 1
1 390 . 17 1 1 A 36 36 ARG C C 36 174.732 174.725 0.007 1
1 391 . 17 1 1 A 37 37 LYS N N 37 117.773 114.391 3.382 1
1 392 . 17 1 1 A 37 37 LYS H H 37 7.471 7.546 -0.075 1
1 393 . 17 1 1 A 37 37 LYS CA C 37 54.528 54.758 -0.230 1
1 394 . 17 1 1 A 37 37 LYS HA H 37 4.795 5.043 -0.248 1
1 395 . 17 1 1 A 37 37 LYS CB C 37 36.493 35.989 0.504 1
1 404 . 17 1 1 A 37 37 LYS C C 37 174.870 174.619 0.251 1
1 405 . 17 1 1 A 38 38 THR N N 38 114.635 110.324 4.311 1
1 406 . 17 1 1 A 38 38 THR H H 38 8.322 8.641 -0.319 1
1 407 . 17 1 1 A 38 38 THR CA C 38 60.506 59.988 0.518 1
1 408 . 17 1 1 A 38 38 THR HA H 38 5.390 5.456 -0.066 1
1 409 . 17 1 1 A 38 38 THR CB C 38 71.424 72.365 -0.941 1
1 415 . 17 1 1 A 38 38 THR C C 38 173.840 173.271 0.569 1
1 416 . 17 1 1 A 39 39 GLN N N 39 117.672 119.710 -2.038 1
1 417 . 17 1 1 A 39 39 GLN H H 39 9.335 8.413 0.922 1
1 418 . 17 1 1 A 39 39 GLN CA C 39 54.878 54.375 0.503 1
1 419 . 17 1 1 A 39 39 GLN HA H 39 4.899 5.059 -0.160 1
1 420 . 17 1 1 A 39 39 GLN CB C 39 32.186 32.064 0.122 1
1 429 . 17 1 1 A 39 39 GLN C C 39 174.549 174.735 -0.186 1
1 430 . 17 1 1 A 40 40 TYR N N 40 119.391 119.819 -0.428 1
1 431 . 17 1 1 A 40 40 TYR H H 40 8.858 8.952 -0.094 1
1 432 . 17 1 1 A 40 40 TYR CA C 40 60.804 60.340 0.464 1
1 433 . 17 1 1 A 40 40 TYR HA H 40 4.752 4.584 0.168 1
1 434 . 17 1 1 A 40 40 TYR CB C 40 39.167 39.760 -0.593 1
1 445 . 17 1 1 A 40 40 TYR C C 40 176.295 176.519 -0.224 1
1 446 . 17 1 1 A 41 41 GLU N N 41 119.491 118.391 1.100 1
1 447 . 17 1 1 A 41 41 GLU H H 41 8.079 8.048 0.031 1
1 448 . 17 1 1 A 41 41 GLU CA C 41 56.296 57.010 -0.714 1
1 449 . 17 1 1 A 41 41 GLU HA H 41 4.351 4.282 0.069 1
1 450 . 17 1 1 A 41 41 GLU CB C 41 30.517 30.012 0.505 1
1 456 . 17 1 1 A 41 41 GLU C C 41 175.460 176.491 -1.031 1
1 457 . 17 1 1 A 42 42 ASN N N 42 125.050 124.996 0.054 1
1 458 . 17 1 1 A 42 42 ASN H H 42 8.720 8.831 -0.111 1
1 459 . 17 1 1 A 42 42 ASN CA C 42 51.186 51.173 0.013 1
1 460 . 17 1 1 A 42 42 ASN HA H 42 2.979 4.772 -1.793 1
1 461 . 17 1 1 A 42 42 ASN CB C 42 38.637 39.190 -0.553 1
1 467 . 17 1 1 A 42 42 ASN C C 42 174.950 175.509 -0.559 1
1 468 . 17 1 1 A 43 43 PRO CA C 43 63.681 65.069 -1.388 1
1 469 . 17 1 1 A 43 43 PRO HA H 43 3.869 4.166 -0.297 1
1 470 . 17 1 1 A 43 43 PRO CB C 43 31.408 31.131 0.277 1
1 479 . 17 1 1 A 43 43 PRO C C 43 178.273 178.530 -0.257 1
1 480 . 17 1 1 A 44 44 VAL N N 44 119.901 115.575 4.326 1
1 481 . 17 1 1 A 44 44 VAL H H 44 7.968 7.176 0.792 1
1 482 . 17 1 1 A 44 44 VAL CA C 44 64.744 65.722 -0.978 1
1 483 . 17 1 1 A 44 44 VAL HA H 44 3.646 3.623 0.023 1
1 484 . 17 1 1 A 44 44 VAL CB C 44 31.581 31.252 0.329 1
1 494 . 17 1 1 A 44 44 VAL C C 44 177.625 178.067 -0.442 1
1 495 . 17 1 1 A 45 45 LEU N N 45 120.711 119.455 1.256 1
1 496 . 17 1 1 A 45 45 LEU H H 45 7.076 7.982 -0.906 1
1 497 . 17 1 1 A 45 45 LEU CA C 45 56.822 58.234 -1.412 1
1 498 . 17 1 1 A 45 45 LEU HA H 45 3.994 3.860 0.134 1
1 499 . 17 1 1 A 45 45 LEU CB C 45 41.194 41.192 0.002 1
1 512 . 17 1 1 A 45 45 LEU C C 45 179.099 178.795 0.304 1
1 513 . 17 1 1 A 46 46 GLU N N 46 120.581 119.698 0.883 1
1 514 . 17 1 1 A 46 46 GLU H H 46 8.001 7.885 0.116 1
1 515 . 17 1 1 A 46 46 GLU CA C 46 58.462 59.377 -0.915 1
1 516 . 17 1 1 A 46 46 GLU HA H 46 3.961 4.032 -0.071 1
1 517 . 17 1 1 A 46 46 GLU CB C 46 29.956 29.428 0.528 1
1 523 . 17 1 1 A 46 46 GLU C C 46 177.685 178.453 -0.768 1
1 524 . 17 1 1 A 47 47 ALA N N 47 121.265 121.022 0.243 1
1 525 . 17 1 1 A 47 47 ALA H H 47 7.625 8.155 -0.530 1
1 526 . 17 1 1 A 47 47 ALA CA C 47 54.438 55.115 -0.677 1
1 527 . 17 1 1 A 47 47 ALA HA H 47 4.082 4.118 -0.036 1
1 528 . 17 1 1 A 47 47 ALA CB C 47 18.192 18.466 -0.274 1
1 532 . 17 1 1 A 47 47 ALA C C 47 179.879 179.587 0.292 1
1 533 . 17 1 1 A 48 48 LYS N N 48 118.414 116.378 2.036 1
1 534 . 17 1 1 A 48 48 LYS H H 48 7.776 7.935 -0.159 1
1 535 . 17 1 1 A 48 48 LYS CA C 48 58.491 58.323 0.168 1
1 536 . 17 1 1 A 48 48 LYS HA H 48 4.063 4.134 -0.071 1
1 537 . 17 1 1 A 48 48 LYS CB C 48 32.565 31.330 1.235 1
1 547 . 17 1 1 A 48 48 LYS C C 48 178.235 178.361 -0.126 1
1 548 . 17 1 1 A 49 49 ARG N N 49 120.324 119.897 0.427 1
1 549 . 17 1 1 A 49 49 ARG H H 49 7.968 8.395 -0.427 1
1 550 . 17 1 1 A 49 49 ARG CA C 49 58.156 58.392 -0.236 1
1 551 . 17 1 1 A 49 49 ARG HA H 49 4.140 4.157 -0.017 1
1 552 . 17 1 1 A 49 49 ARG CB C 49 30.349 30.283 0.066 1
1 561 . 17 1 1 A 49 49 ARG C C 49 177.985 178.161 -0.176 1
1 562 . 17 1 1 A 50 50 LYS N N 50 120.001 118.010 1.991 1
1 563 . 17 1 1 A 50 50 LYS H H 50 8.051 8.365 -0.314 1
1 564 . 17 1 1 A 50 50 LYS CA C 50 58.185 58.272 -0.087 1
1 565 . 17 1 1 A 50 50 LYS HA H 50 4.099 4.161 -0.062 1
1 566 . 17 1 1 A 50 50 LYS CB C 50 32.645 32.577 0.068 1
1 575 . 17 1 1 A 50 50 LYS C C 50 177.791 178.432 -0.641 1
1 576 . 17 1 1 A 51 51 LYS N N 51 120.458 119.887 0.571 1
1 577 . 17 1 1 A 51 51 LYS H H 51 7.915 7.814 0.101 1
1 578 . 17 1 1 A 51 51 LYS CA C 51 57.452 58.624 -1.172 1
1 579 . 17 1 1 A 51 51 LYS HA H 51 4.189 4.235 -0.046 1
1 580 . 17 1 1 A 51 51 LYS CB C 51 32.620 32.916 -0.296 1
1 590 . 17 1 1 A 51 51 LYS C C 51 177.670 179.060 -1.390 1
1 591 . 17 1 1 A 52 52 GLN N N 52 119.883 118.980 0.903 1
1 592 . 17 1 1 A 52 52 GLN H H 52 8.060 8.054 0.006 1
1 593 . 17 1 1 A 52 52 GLN CA C 52 56.866 58.652 -1.786 1
1 594 . 17 1 1 A 52 52 GLN HA H 52 4.213 4.108 0.105 1
1 595 . 17 1 1 A 52 52 GLN CB C 52 28.969 28.291 0.678 1
1 604 . 17 1 1 A 52 52 GLN C C 52 176.851 177.164 -0.313 1
1 605 . 17 1 1 A 53 53 LEU N N 53 121.489 121.689 -0.200 1
1 606 . 17 1 1 A 53 53 LEU H H 53 8.027 7.551 0.476 1
1 607 . 17 1 1 A 53 53 LEU CA C 53 55.826 55.207 0.619 1
1 608 . 17 1 1 A 53 53 LEU HA H 53 4.288 4.153 0.135 1
1 609 . 17 1 1 A 53 53 LEU CB C 53 42.379 41.743 0.636 1
1 622 . 17 1 1 A 53 53 LEU C C 53 177.973 176.441 1.532 1
1 623 . 17 1 1 A 54 54 GLU N N 54 120.395 125.030 -4.635 1
1 624 . 17 1 1 A 54 54 GLU H H 54 8.141 8.421 -0.280 1
1 625 . 17 1 1 A 54 54 GLU CA C 54 56.906 57.479 -0.573 1
1 626 . 17 1 1 A 54 54 GLU HA H 54 4.291 4.239 0.052 1
1 627 . 17 1 1 A 54 54 GLU CB C 54 30.228 29.926 0.302 1
1 633 . 17 1 1 A 54 54 GLU C C 54 176.762 176.413 0.349 1
1 634 . 17 1 1 A 55 55 SER N N 55 115.834 119.020 -3.186 1
1 635 . 17 1 1 A 55 55 SER H H 55 8.178 8.626 -0.448 1
1 636 . 17 1 1 A 55 55 SER CA C 55 58.606 57.394 1.212 1
1 637 . 17 1 1 A 55 55 SER HA H 55 4.492 5.226 -0.734 1
1 638 . 17 1 1 A 55 55 SER CB C 55 63.869 64.719 -0.850 1
1 641 . 17 1 1 A 55 55 SER C C 55 174.614 174.439 0.175 1
1 642 . 17 1 1 A 56 56 GLY N N 56 110.601 111.384 -0.783 1
1 643 . 17 1 1 A 56 56 GLY H H 56 8.163 8.255 -0.092 1
1 644 . 17 1 1 A 56 56 GLY CA C 56 44.731 45.219 -0.488 1
1 645 . 17 1 1 A 56 56 GLY HA2 H 56 4.098 4.206 -0.108 1
1 646 . 17 1 1 A 56 56 GLY HA3 H 56 4.167 4.206 -0.039 1
1 647 . 17 1 1 A 56 56 GLY C C 56 171.805 174.124 -2.319 1
1 648 . 17 1 1 A 57 57 PRO CA C 57 63.271 63.923 -0.652 1
1 649 . 17 1 1 A 57 57 PRO HA H 57 4.475 4.447 0.028 1
1 650 . 17 1 1 A 57 57 PRO CB C 57 32.133 31.986 0.147 1
1 659 . 17 1 1 A 57 57 PRO C C 57 177.422 177.216 0.206 1
1 660 . 17 1 1 A 58 58 SER N N 58 116.422 113.258 3.164 1
1 661 . 17 1 1 A 58 58 SER H H 58 8.524 8.079 0.445 1
1 662 . 17 1 1 A 58 58 SER CA C 58 58.457 61.445 -2.988 1
1 663 . 17 1 1 A 58 58 SER HA H 58 4.494 4.176 0.318 1
1 664 . 17 1 1 A 58 58 SER CB C 58 63.945 63.209 0.736 1
1 667 . 17 1 1 A 58 58 SER C C 58 174.720 173.994 0.726 1
1 668 . 17 1 1 A 59 59 SER N N 59 117.951 112.132 5.819 1
1 669 . 17 1 1 A 59 59 SER H H 59 8.342 7.879 0.463 1
1 670 . 17 1 1 A 59 59 SER CA C 59 58.327 56.174 2.153 1
1 671 . 17 1 1 A 59 59 SER HA H 59 4.491 4.806 -0.315 1
1 672 . 17 1 1 A 59 59 SER CB C 59 63.965 65.743 -1.778 1
1 675 . 17 1 1 A 59 59 SER C C 59 173.967 174.241 -0.274 1
1 1 . 18 1 1 A 5 5 SER N N 5 115.829 117.349 -1.520 1
1 2 . 18 1 1 A 5 5 SER CA C 5 58.317 56.803 1.514 1
1 3 . 18 1 1 A 5 5 SER CB C 5 63.703 64.348 -0.645 1
1 4 . 18 1 1 A 5 5 SER C C 5 174.849 173.421 1.428 1
1 5 . 18 1 1 A 6 6 SER N N 6 117.994 123.752 -5.758 1
1 6 . 18 1 1 A 6 6 SER CA C 6 58.677 59.654 -0.977 1
1 7 . 18 1 1 A 6 6 SER HA H 6 4.501 4.468 0.033 1
1 8 . 18 1 1 A 6 6 SER CB C 6 63.732 63.947 -0.215 1
1 10 . 18 1 1 A 6 6 SER C C 6 175.043 174.696 0.347 1
1 11 . 18 1 1 A 7 7 GLY N N 7 110.716 110.764 -0.048 1
1 12 . 18 1 1 A 7 7 GLY H H 7 8.429 8.644 -0.215 1
1 13 . 18 1 1 A 7 7 GLY CA C 7 45.403 44.779 0.624 1
1 14 . 18 1 1 A 7 7 GLY HA2 H 7 3.976 4.201 -0.225 1
1 15 . 18 1 1 A 7 7 GLY HA3 H 7 3.976 4.205 -0.229 1
1 16 . 18 1 1 A 7 7 GLY C C 7 174.231 173.274 0.957 1
1 17 . 18 1 1 A 8 8 LEU N N 8 121.547 122.828 -1.281 1
1 18 . 18 1 1 A 8 8 LEU H H 8 8.132 8.560 -0.428 1
1 19 . 18 1 1 A 8 8 LEU CA C 8 55.233 52.562 2.671 1
1 20 . 18 1 1 A 8 8 LEU HA H 8 4.356 5.243 -0.887 1
1 21 . 18 1 1 A 8 8 LEU CB C 8 42.416 44.908 -2.492 1
1 31 . 18 1 1 A 8 8 LEU C C 8 177.479 175.390 2.089 1
1 32 . 18 1 1 A 9 9 ASP N N 9 120.983 119.438 1.545 1
1 33 . 18 1 1 A 9 9 ASP H H 9 8.413 8.512 -0.099 1
1 34 . 18 1 1 A 9 9 ASP CA C 9 54.826 52.733 2.093 1
1 35 . 18 1 1 A 9 9 ASP HA H 9 4.555 5.403 -0.848 1
1 36 . 18 1 1 A 9 9 ASP CB C 9 40.967 45.058 -4.091 1
1 39 . 18 1 1 A 9 9 ASP C C 9 176.609 175.558 1.051 1
1 40 . 18 1 1 A 10 10 SER N N 10 115.538 112.632 2.906 1
1 41 . 18 1 1 A 10 10 SER H H 10 8.146 8.370 -0.224 1
1 42 . 18 1 1 A 10 10 SER CA C 10 58.926 56.245 2.681 1
1 43 . 18 1 1 A 10 10 SER HA H 10 4.361 5.156 -0.795 1
1 44 . 18 1 1 A 10 10 SER CB C 10 63.924 66.529 -2.605 1
1 47 . 18 1 1 A 10 10 SER C C 10 174.922 175.701 -0.779 1
1 48 . 18 1 1 A 11 11 GLU N N 11 122.324 119.701 2.623 1
1 49 . 18 1 1 A 11 11 GLU H H 11 8.416 8.973 -0.557 1
1 50 . 18 1 1 A 11 11 GLU CA C 11 56.763 59.110 -2.347 1
1 51 . 18 1 1 A 11 11 GLU HA H 11 4.262 3.651 0.611 1
1 52 . 18 1 1 A 11 11 GLU CB C 11 29.860 29.265 0.595 1
1 58 . 18 1 1 A 11 11 GLU C C 11 176.347 176.820 -0.473 1
1 59 . 18 1 1 A 12 12 LEU N N 12 121.580 116.970 4.610 1
1 60 . 18 1 1 A 12 12 LEU H H 12 7.957 7.956 0.001 1
1 61 . 18 1 1 A 12 12 LEU CA C 12 54.921 56.285 -1.364 1
1 62 . 18 1 1 A 12 12 LEU HA H 12 4.311 3.863 0.448 1
1 63 . 18 1 1 A 12 12 LEU CB C 12 42.313 40.541 1.772 1
1 76 . 18 1 1 A 12 12 LEU C C 12 176.945 175.981 0.964 1
1 77 . 18 1 1 A 13 13 GLU N N 13 122.146 110.023 12.123 1
1 78 . 18 1 1 A 13 13 GLU H H 13 8.088 8.445 -0.357 1
1 79 . 18 1 1 A 13 13 GLU CA C 13 56.222 57.112 -0.890 1
1 80 . 18 1 1 A 13 13 GLU HA H 13 4.236 3.832 0.404 1
1 81 . 18 1 1 A 13 13 GLU CB C 13 30.332 27.466 2.866 1
1 86 . 18 1 1 A 13 13 GLU C C 13 175.667 175.839 -0.172 1
1 87 . 18 1 1 A 14 14 LEU N N 14 123.302 120.296 3.006 1
1 88 . 18 1 1 A 14 14 LEU H H 14 8.331 7.812 0.519 1
1 89 . 18 1 1 A 14 14 LEU CA C 14 52.689 53.752 -1.063 1
1 90 . 18 1 1 A 14 14 LEU HA H 14 4.376 4.081 0.295 1
1 91 . 18 1 1 A 14 14 LEU CB C 14 41.859 41.394 0.465 1
1 104 . 18 1 1 A 14 14 LEU C C 14 174.694 177.351 -2.657 1
1 105 . 18 1 1 A 15 15 PRO CA C 15 61.808 65.905 -4.097 1
1 106 . 18 1 1 A 15 15 PRO HA H 15 4.509 4.424 0.085 1
1 107 . 18 1 1 A 15 15 PRO CB C 15 31.501 31.545 -0.044 1
1 116 . 18 1 1 A 15 15 PRO C C 15 175.733 176.514 -0.781 1
1 117 . 18 1 1 A 16 16 ALA N N 16 123.226 117.064 6.162 1
1 118 . 18 1 1 A 16 16 ALA H H 16 8.427 8.079 0.348 1
1 119 . 18 1 1 A 16 16 ALA CA C 16 53.836 51.493 2.343 1
1 120 . 18 1 1 A 16 16 ALA HA H 16 4.235 4.797 -0.562 1
1 121 . 18 1 1 A 16 16 ALA CB C 16 18.391 22.774 -4.383 1
1 125 . 18 1 1 A 16 16 ALA C C 16 178.641 177.102 1.539 1
1 126 . 18 1 1 A 17 17 GLY N N 17 110.263 109.949 0.314 1
1 127 . 18 1 1 A 17 17 GLY H H 17 8.816 8.763 0.053 1
1 128 . 18 1 1 A 17 17 GLY CA C 17 45.465 46.022 -0.557 1
1 129 . 18 1 1 A 17 17 GLY HA2 H 17 3.759 3.789 -0.030 1
1 130 . 18 1 1 A 17 17 GLY HA3 H 17 4.261 3.926 0.335 1
1 131 . 18 1 1 A 17 17 GLY C C 17 173.251 173.659 -0.408 1
1 132 . 18 1 1 A 18 18 TRP N N 18 118.263 119.535 -1.272 1
1 133 . 18 1 1 A 18 18 TRP H H 18 7.782 7.977 -0.195 1
1 134 . 18 1 1 A 18 18 TRP CA C 18 56.679 56.017 0.662 1
1 135 . 18 1 1 A 18 18 TRP HA H 18 5.840 5.192 0.648 1
1 136 . 18 1 1 A 18 18 TRP CB C 18 32.215 32.833 -0.618 1
1 151 . 18 1 1 A 18 18 TRP C C 18 177.038 174.938 2.100 1
1 152 . 18 1 1 A 19 19 GLU N N 19 122.023 123.494 -1.471 1
1 153 . 18 1 1 A 19 19 GLU H H 19 9.480 8.671 0.809 1
1 154 . 18 1 1 A 19 19 GLU CA C 19 55.126 55.282 -0.156 1
1 155 . 18 1 1 A 19 19 GLU HA H 19 4.679 5.061 -0.382 1
1 156 . 18 1 1 A 19 19 GLU CB C 19 34.865 33.571 1.294 1
1 162 . 18 1 1 A 19 19 GLU C C 19 173.752 175.145 -1.393 1
1 163 . 18 1 1 A 20 20 LYS N N 20 127.008 127.821 -0.813 1
1 164 . 18 1 1 A 20 20 LYS H H 20 8.848 8.651 0.197 1
1 165 . 18 1 1 A 20 20 LYS CA C 20 55.531 56.642 -1.111 1
1 166 . 18 1 1 A 20 20 LYS HA H 20 4.379 4.735 -0.356 1
1 167 . 18 1 1 A 20 20 LYS CB C 20 33.946 32.857 1.089 1
1 178 . 18 1 1 A 20 20 LYS C C 20 174.530 174.845 -0.315 1
1 179 . 18 1 1 A 21 21 ILE N N 21 130.740 129.454 1.286 1
1 180 . 18 1 1 A 21 21 ILE H H 21 8.894 8.991 -0.097 1
1 181 . 18 1 1 A 21 21 ILE CA C 21 58.996 60.079 -1.083 1
1 182 . 18 1 1 A 21 21 ILE HA H 21 4.035 4.391 -0.356 1
1 183 . 18 1 1 A 21 21 ILE CB C 21 38.249 39.012 -0.763 1
1 196 . 18 1 1 A 21 21 ILE C C 21 173.612 174.427 -0.815 1
1 197 . 18 1 1 A 22 22 GLU N N 22 124.546 127.230 -2.684 1
1 198 . 18 1 1 A 22 22 GLU H H 22 8.273 8.852 -0.579 1
1 199 . 18 1 1 A 22 22 GLU CA C 22 54.652 55.302 -0.650 1
1 200 . 18 1 1 A 22 22 GLU HA H 22 4.429 4.679 -0.250 1
1 201 . 18 1 1 A 22 22 GLU CB C 22 29.876 30.879 -1.003 1
1 207 . 18 1 1 A 22 22 GLU C C 22 174.548 175.234 -0.686 1
1 208 . 18 1 1 A 23 23 ASP N N 23 128.325 126.035 2.290 1
1 209 . 18 1 1 A 23 23 ASP H H 23 8.368 8.501 -0.133 1
1 210 . 18 1 1 A 23 23 ASP CA C 23 51.555 50.520 1.035 1
1 211 . 18 1 1 A 23 23 ASP HA H 23 5.093 5.207 -0.114 1
1 212 . 18 1 1 A 23 23 ASP CB C 23 45.902 42.555 3.347 1
1 215 . 18 1 1 A 23 23 ASP C C 23 175.729 176.153 -0.424 1
1 216 . 18 1 1 A 24 24 PRO CA C 24 64.824 64.848 -0.024 1
1 217 . 18 1 1 A 24 24 PRO HA H 24 4.356 4.465 -0.109 1
1 218 . 18 1 1 A 24 24 PRO CB C 24 32.297 32.263 0.034 1
1 227 . 18 1 1 A 24 24 PRO C C 24 176.540 177.474 -0.934 1
1 228 . 18 1 1 A 25 25 VAL N N 25 118.640 116.061 2.579 1
1 229 . 18 1 1 A 25 25 VAL H H 25 8.485 7.838 0.647 1
1 230 . 18 1 1 A 25 25 VAL CA C 25 64.125 64.112 0.013 1
1 231 . 18 1 1 A 25 25 VAL HA H 25 3.856 3.952 -0.096 1
1 232 . 18 1 1 A 25 25 VAL CB C 25 33.098 32.634 0.464 1
1 242 . 18 1 1 A 25 25 VAL C C 25 177.626 177.280 0.346 1
1 243 . 18 1 1 A 26 26 TYR N N 26 117.602 117.098 0.504 1
1 244 . 18 1 1 A 26 26 TYR H H 26 8.632 8.281 0.351 1
1 245 . 18 1 1 A 26 26 TYR CA C 26 59.189 59.348 -0.159 1
1 246 . 18 1 1 A 26 26 TYR HA H 26 4.469 4.495 -0.026 1
1 247 . 18 1 1 A 26 26 TYR CB C 26 39.193 38.795 0.398 1
1 258 . 18 1 1 A 26 26 TYR C C 26 176.124 176.627 -0.503 1
1 259 . 18 1 1 A 27 27 GLY N N 27 110.042 106.509 3.533 1
1 260 . 18 1 1 A 27 27 GLY H H 27 8.181 7.946 0.235 1
1 261 . 18 1 1 A 27 27 GLY CA C 27 44.979 44.683 0.296 1
1 262 . 18 1 1 A 27 27 GLY HA2 H 27 3.890 4.149 -0.259 1
1 263 . 18 1 1 A 27 27 GLY HA3 H 27 4.390 4.187 0.203 1
1 264 . 18 1 1 A 27 27 GLY C C 27 173.043 173.493 -0.450 1
1 265 . 18 1 1 A 28 28 ILE N N 28 121.278 121.106 0.172 1
1 266 . 18 1 1 A 28 28 ILE H H 28 8.259 8.271 -0.012 1
1 267 . 18 1 1 A 28 28 ILE CA C 28 60.867 61.462 -0.595 1
1 268 . 18 1 1 A 28 28 ILE HA H 28 4.900 4.643 0.257 1
1 269 . 18 1 1 A 28 28 ILE CB C 28 38.763 37.410 1.353 1
1 282 . 18 1 1 A 28 28 ILE C C 28 176.805 174.989 1.816 1
1 283 . 18 1 1 A 29 29 TYR N N 29 124.534 123.849 0.685 1
1 284 . 18 1 1 A 29 29 TYR H H 29 8.822 8.711 0.111 1
1 285 . 18 1 1 A 29 29 TYR CA C 29 56.332 55.331 1.001 1
1 286 . 18 1 1 A 29 29 TYR HA H 29 4.712 4.919 -0.207 1
1 287 . 18 1 1 A 29 29 TYR CB C 29 38.879 41.640 -2.761 1
1 298 . 18 1 1 A 29 29 TYR C C 29 170.710 172.047 -1.337 1
1 299 . 18 1 1 A 30 30 TYR N N 30 116.432 120.332 -3.900 1
1 300 . 18 1 1 A 30 30 TYR H H 30 8.981 8.436 0.545 1
1 301 . 18 1 1 A 30 30 TYR CA C 30 56.921 57.474 -0.553 1
1 302 . 18 1 1 A 30 30 TYR HA H 30 5.417 5.616 -0.199 1
1 303 . 18 1 1 A 30 30 TYR CB C 30 41.603 40.339 1.264 1
1 314 . 18 1 1 A 30 30 TYR C C 30 174.825 175.097 -0.272 1
1 315 . 18 1 1 A 31 31 VAL N N 31 121.385 124.227 -2.842 1
1 316 . 18 1 1 A 31 31 VAL H H 31 9.266 9.012 0.254 1
1 317 . 18 1 1 A 31 31 VAL CA C 31 60.346 59.776 0.570 1
1 318 . 18 1 1 A 31 31 VAL HA H 31 4.610 4.883 -0.273 1
1 319 . 18 1 1 A 31 31 VAL CB C 31 35.393 34.053 1.340 1
1 329 . 18 1 1 A 31 31 VAL C C 31 173.103 173.534 -0.431 1
1 330 . 18 1 1 A 32 32 ASP N N 32 126.129 126.960 -0.831 1
1 331 . 18 1 1 A 32 32 ASP H H 32 8.340 8.872 -0.532 1
1 332 . 18 1 1 A 32 32 ASP CA C 32 51.134 53.364 -2.230 1
1 333 . 18 1 1 A 32 32 ASP HA H 32 3.702 4.967 -1.265 1
1 334 . 18 1 1 A 32 32 ASP CB C 32 39.252 40.987 -1.735 1
1 337 . 18 1 1 A 32 32 ASP C C 32 177.731 175.968 1.763 1
1 338 . 18 1 1 A 33 33 HIS N N 33 121.984 121.717 0.267 1
1 339 . 18 1 1 A 33 33 HIS H H 33 8.728 7.726 1.002 1
1 340 . 18 1 1 A 33 33 HIS CA C 33 58.404 57.798 0.606 1
1 341 . 18 1 1 A 33 33 HIS HA H 33 4.218 4.396 -0.178 1
1 342 . 18 1 1 A 33 33 HIS CB C 33 30.594 28.887 1.707 1
1 349 . 18 1 1 A 33 33 HIS C C 33 176.844 175.662 1.182 1
1 350 . 18 1 1 A 34 34 ILE N N 34 120.023 117.104 2.919 1
1 351 . 18 1 1 A 34 34 ILE H H 34 8.090 7.532 0.558 1
1 352 . 18 1 1 A 34 34 ILE CA C 34 63.382 62.683 0.699 1
1 353 . 18 1 1 A 34 34 ILE HA H 34 3.845 4.025 -0.180 1
1 354 . 18 1 1 A 34 34 ILE CB C 34 37.023 39.478 -2.455 1
1 367 . 18 1 1 A 34 34 ILE C C 34 177.464 177.376 0.088 1
1 368 . 18 1 1 A 35 35 ASN N N 35 115.543 117.634 -2.091 1
1 369 . 18 1 1 A 35 35 ASN H H 35 7.620 7.904 -0.284 1
1 370 . 18 1 1 A 35 35 ASN CA C 35 53.139 52.871 0.268 1
1 371 . 18 1 1 A 35 35 ASN HA H 35 4.587 4.735 -0.148 1
1 372 . 18 1 1 A 35 35 ASN CB C 35 38.909 38.601 0.308 1
1 378 . 18 1 1 A 35 35 ASN C C 35 173.887 174.237 -0.350 1
1 379 . 18 1 1 A 36 36 ARG N N 36 117.698 116.373 1.325 1
1 380 . 18 1 1 A 36 36 ARG H H 36 7.596 7.575 0.021 1
1 381 . 18 1 1 A 36 36 ARG CA C 36 56.824 56.978 -0.154 1
1 382 . 18 1 1 A 36 36 ARG HA H 36 3.850 3.858 -0.008 1
1 383 . 18 1 1 A 36 36 ARG CB C 36 26.161 27.639 -1.478 1
1 390 . 18 1 1 A 36 36 ARG C C 36 174.732 174.687 0.045 1
1 391 . 18 1 1 A 37 37 LYS N N 37 117.773 114.391 3.382 1
1 392 . 18 1 1 A 37 37 LYS H H 37 7.471 7.407 0.064 1
1 393 . 18 1 1 A 37 37 LYS CA C 37 54.528 54.643 -0.115 1
1 394 . 18 1 1 A 37 37 LYS HA H 37 4.795 4.989 -0.194 1
1 395 . 18 1 1 A 37 37 LYS CB C 37 36.493 36.434 0.059 1
1 404 . 18 1 1 A 37 37 LYS C C 37 174.870 174.613 0.257 1
1 405 . 18 1 1 A 38 38 THR N N 38 114.635 111.960 2.675 1
1 406 . 18 1 1 A 38 38 THR H H 38 8.322 8.662 -0.340 1
1 407 . 18 1 1 A 38 38 THR CA C 38 60.506 60.733 -0.227 1
1 408 . 18 1 1 A 38 38 THR HA H 38 5.390 5.375 0.015 1
1 409 . 18 1 1 A 38 38 THR CB C 38 71.424 71.332 0.092 1
1 415 . 18 1 1 A 38 38 THR C C 38 173.840 173.700 0.140 1
1 416 . 18 1 1 A 39 39 GLN N N 39 117.672 122.079 -4.407 1
1 417 . 18 1 1 A 39 39 GLN H H 39 9.335 8.458 0.877 1
1 418 . 18 1 1 A 39 39 GLN CA C 39 54.878 54.549 0.329 1
1 419 . 18 1 1 A 39 39 GLN HA H 39 4.899 5.125 -0.226 1
1 420 . 18 1 1 A 39 39 GLN CB C 39 32.186 32.375 -0.189 1
1 429 . 18 1 1 A 39 39 GLN C C 39 174.549 175.243 -0.694 1
1 430 . 18 1 1 A 40 40 TYR N N 40 119.391 120.934 -1.543 1
1 431 . 18 1 1 A 40 40 TYR H H 40 8.858 9.367 -0.509 1
1 432 . 18 1 1 A 40 40 TYR CA C 40 60.804 60.828 -0.024 1
1 433 . 18 1 1 A 40 40 TYR HA H 40 4.752 4.293 0.459 1
1 434 . 18 1 1 A 40 40 TYR CB C 40 39.167 38.842 0.325 1
1 445 . 18 1 1 A 40 40 TYR C C 40 176.295 176.909 -0.614 1
1 446 . 18 1 1 A 41 41 GLU N N 41 119.491 118.350 1.141 1
1 447 . 18 1 1 A 41 41 GLU H H 41 8.079 7.972 0.107 1
1 448 . 18 1 1 A 41 41 GLU CA C 41 56.296 57.447 -1.151 1
1 449 . 18 1 1 A 41 41 GLU HA H 41 4.351 4.266 0.085 1
1 450 . 18 1 1 A 41 41 GLU CB C 41 30.517 30.470 0.047 1
1 456 . 18 1 1 A 41 41 GLU C C 41 175.460 176.119 -0.659 1
1 457 . 18 1 1 A 42 42 ASN N N 42 125.050 124.461 0.589 1
1 458 . 18 1 1 A 42 42 ASN H H 42 8.720 8.653 0.067 1
1 459 . 18 1 1 A 42 42 ASN CA C 42 51.186 50.946 0.240 1
1 460 . 18 1 1 A 42 42 ASN HA H 42 2.979 4.874 -1.895 1
1 461 . 18 1 1 A 42 42 ASN CB C 42 38.637 39.810 -1.173 1
1 467 . 18 1 1 A 42 42 ASN C C 42 174.950 175.393 -0.443 1
1 468 . 18 1 1 A 43 43 PRO CA C 43 63.681 65.183 -1.502 1
1 469 . 18 1 1 A 43 43 PRO HA H 43 3.869 4.153 -0.284 1
1 470 . 18 1 1 A 43 43 PRO CB C 43 31.408 31.053 0.355 1
1 479 . 18 1 1 A 43 43 PRO C C 43 178.273 178.617 -0.344 1
1 480 . 18 1 1 A 44 44 VAL N N 44 119.901 115.341 4.560 1
1 481 . 18 1 1 A 44 44 VAL H H 44 7.968 7.195 0.773 1
1 482 . 18 1 1 A 44 44 VAL CA C 44 64.744 65.556 -0.812 1
1 483 . 18 1 1 A 44 44 VAL HA H 44 3.646 3.621 0.025 1
1 484 . 18 1 1 A 44 44 VAL CB C 44 31.581 31.392 0.189 1
1 494 . 18 1 1 A 44 44 VAL C C 44 177.625 178.294 -0.669 1
1 495 . 18 1 1 A 45 45 LEU N N 45 120.711 119.348 1.363 1
1 496 . 18 1 1 A 45 45 LEU H H 45 7.076 7.934 -0.858 1
1 497 . 18 1 1 A 45 45 LEU CA C 45 56.822 58.005 -1.183 1
1 498 . 18 1 1 A 45 45 LEU HA H 45 3.994 3.916 0.078 1
1 499 . 18 1 1 A 45 45 LEU CB C 45 41.194 41.291 -0.097 1
1 512 . 18 1 1 A 45 45 LEU C C 45 179.099 178.989 0.110 1
1 513 . 18 1 1 A 46 46 GLU N N 46 120.581 119.525 1.056 1
1 514 . 18 1 1 A 46 46 GLU H H 46 8.001 8.036 -0.035 1
1 515 . 18 1 1 A 46 46 GLU CA C 46 58.462 59.602 -1.140 1
1 516 . 18 1 1 A 46 46 GLU HA H 46 3.961 4.000 -0.039 1
1 517 . 18 1 1 A 46 46 GLU CB C 46 29.956 29.215 0.741 1
1 523 . 18 1 1 A 46 46 GLU C C 46 177.685 178.351 -0.666 1
1 524 . 18 1 1 A 47 47 ALA N N 47 121.265 121.161 0.104 1
1 525 . 18 1 1 A 47 47 ALA H H 47 7.625 8.195 -0.570 1
1 526 . 18 1 1 A 47 47 ALA CA C 47 54.438 54.968 -0.530 1
1 527 . 18 1 1 A 47 47 ALA HA H 47 4.082 4.090 -0.008 1
1 528 . 18 1 1 A 47 47 ALA CB C 47 18.192 18.842 -0.650 1
1 532 . 18 1 1 A 47 47 ALA C C 47 179.879 179.700 0.179 1
1 533 . 18 1 1 A 48 48 LYS N N 48 118.414 116.865 1.549 1
1 534 . 18 1 1 A 48 48 LYS H H 48 7.776 7.815 -0.039 1
1 535 . 18 1 1 A 48 48 LYS CA C 48 58.491 59.085 -0.594 1
1 536 . 18 1 1 A 48 48 LYS HA H 48 4.063 4.076 -0.013 1
1 537 . 18 1 1 A 48 48 LYS CB C 48 32.565 31.631 0.934 1
1 547 . 18 1 1 A 48 48 LYS C C 48 178.235 178.366 -0.131 1
1 548 . 18 1 1 A 49 49 ARG N N 49 120.324 119.863 0.461 1
1 549 . 18 1 1 A 49 49 ARG H H 49 7.968 7.894 0.074 1
1 550 . 18 1 1 A 49 49 ARG CA C 49 58.156 58.710 -0.554 1
1 551 . 18 1 1 A 49 49 ARG HA H 49 4.140 4.083 0.057 1
1 552 . 18 1 1 A 49 49 ARG CB C 49 30.349 29.875 0.474 1
1 561 . 18 1 1 A 49 49 ARG C C 49 177.985 178.217 -0.232 1
1 562 . 18 1 1 A 50 50 LYS N N 50 120.001 117.540 2.461 1
1 563 . 18 1 1 A 50 50 LYS H H 50 8.051 8.323 -0.272 1
1 564 . 18 1 1 A 50 50 LYS CA C 50 58.185 58.399 -0.214 1
1 565 . 18 1 1 A 50 50 LYS HA H 50 4.099 4.183 -0.084 1
1 566 . 18 1 1 A 50 50 LYS CB C 50 32.645 32.712 -0.067 1
1 575 . 18 1 1 A 50 50 LYS C C 50 177.791 178.788 -0.997 1
1 576 . 18 1 1 A 51 51 LYS N N 51 120.458 119.813 0.645 1
1 577 . 18 1 1 A 51 51 LYS H H 51 7.915 7.943 -0.028 1
1 578 . 18 1 1 A 51 51 LYS CA C 51 57.452 58.782 -1.330 1
1 579 . 18 1 1 A 51 51 LYS HA H 51 4.189 4.184 0.005 1
1 580 . 18 1 1 A 51 51 LYS CB C 51 32.620 32.759 -0.139 1
1 590 . 18 1 1 A 51 51 LYS C C 51 177.670 178.951 -1.281 1
1 591 . 18 1 1 A 52 52 GLN N N 52 119.883 116.299 3.584 1
1 592 . 18 1 1 A 52 52 GLN H H 52 8.060 7.963 0.097 1
1 593 . 18 1 1 A 52 52 GLN CA C 52 56.866 58.273 -1.407 1
1 594 . 18 1 1 A 52 52 GLN HA H 52 4.213 4.095 0.118 1
1 595 . 18 1 1 A 52 52 GLN CB C 52 28.969 27.629 1.340 1
1 604 . 18 1 1 A 52 52 GLN C C 52 176.851 176.487 0.364 1
1 605 . 18 1 1 A 53 53 LEU N N 53 121.489 123.508 -2.019 1
1 606 . 18 1 1 A 53 53 LEU H H 53 8.027 7.373 0.654 1
1 607 . 18 1 1 A 53 53 LEU CA C 53 55.826 55.999 -0.173 1
1 608 . 18 1 1 A 53 53 LEU HA H 53 4.288 4.125 0.163 1
1 609 . 18 1 1 A 53 53 LEU CB C 53 42.379 42.175 0.204 1
1 622 . 18 1 1 A 53 53 LEU C C 53 177.973 176.572 1.401 1
1 623 . 18 1 1 A 54 54 GLU N N 54 120.395 124.943 -4.548 1
1 624 . 18 1 1 A 54 54 GLU H H 54 8.141 8.661 -0.520 1
1 625 . 18 1 1 A 54 54 GLU CA C 54 56.906 55.749 1.157 1
1 626 . 18 1 1 A 54 54 GLU HA H 54 4.291 4.527 -0.236 1
1 627 . 18 1 1 A 54 54 GLU CB C 54 30.228 30.888 -0.660 1
1 633 . 18 1 1 A 54 54 GLU C C 54 176.762 176.084 0.678 1
1 634 . 18 1 1 A 55 55 SER N N 55 115.834 117.419 -1.585 1
1 635 . 18 1 1 A 55 55 SER H H 55 8.178 8.779 -0.601 1
1 636 . 18 1 1 A 55 55 SER CA C 55 58.606 56.560 2.046 1
1 637 . 18 1 1 A 55 55 SER HA H 55 4.492 4.847 -0.355 1
1 638 . 18 1 1 A 55 55 SER CB C 55 63.869 64.304 -0.435 1
1 641 . 18 1 1 A 55 55 SER C C 55 174.614 173.939 0.675 1
1 642 . 18 1 1 A 56 56 GLY N N 56 110.601 113.800 -3.199 1
1 643 . 18 1 1 A 56 56 GLY H H 56 8.163 8.302 -0.139 1
1 644 . 18 1 1 A 56 56 GLY CA C 56 44.731 44.933 -0.202 1
1 645 . 18 1 1 A 56 56 GLY HA2 H 56 4.098 4.164 -0.066 1
1 646 . 18 1 1 A 56 56 GLY HA3 H 56 4.167 4.164 0.003 1
1 647 . 18 1 1 A 56 56 GLY C C 56 171.805 172.997 -1.192 1
1 648 . 18 1 1 A 57 57 PRO CA C 57 63.271 62.741 0.530 1
1 649 . 18 1 1 A 57 57 PRO HA H 57 4.475 4.648 -0.173 1
1 650 . 18 1 1 A 57 57 PRO CB C 57 32.133 31.578 0.555 1
1 659 . 18 1 1 A 57 57 PRO C C 57 177.422 175.870 1.552 1
1 660 . 18 1 1 A 58 58 SER N N 58 116.422 114.391 2.031 1
1 661 . 18 1 1 A 58 58 SER H H 58 8.524 8.263 0.261 1
1 662 . 18 1 1 A 58 58 SER CA C 58 58.457 57.411 1.046 1
1 663 . 18 1 1 A 58 58 SER HA H 58 4.494 4.853 -0.359 1
1 664 . 18 1 1 A 58 58 SER CB C 58 63.945 66.044 -2.099 1
1 667 . 18 1 1 A 58 58 SER C C 58 174.720 173.204 1.516 1
1 668 . 18 1 1 A 59 59 SER N N 59 117.951 117.094 0.857 1
1 669 . 18 1 1 A 59 59 SER H H 59 8.342 8.893 -0.551 1
1 670 . 18 1 1 A 59 59 SER CA C 59 58.327 59.305 -0.978 1
1 671 . 18 1 1 A 59 59 SER HA H 59 4.491 4.609 -0.118 1
1 672 . 18 1 1 A 59 59 SER CB C 59 63.965 65.013 -1.048 1
1 675 . 18 1 1 A 59 59 SER C C 59 173.967 174.361 -0.394 1
1 1 . 19 1 1 A 5 5 SER N N 5 115.829 115.651 0.178 1
1 2 . 19 1 1 A 5 5 SER CA C 5 58.317 58.504 -0.187 1
1 3 . 19 1 1 A 5 5 SER CB C 5 63.703 63.162 0.541 1
1 4 . 19 1 1 A 5 5 SER C C 5 174.849 174.300 0.549 1
1 5 . 19 1 1 A 6 6 SER N N 6 117.994 113.712 4.282 1
1 6 . 19 1 1 A 6 6 SER CA C 6 58.677 59.212 -0.535 1
1 7 . 19 1 1 A 6 6 SER HA H 6 4.501 4.053 0.448 1
1 8 . 19 1 1 A 6 6 SER CB C 6 63.732 61.979 1.753 1
1 10 . 19 1 1 A 6 6 SER C C 6 175.043 173.905 1.138 1
1 11 . 19 1 1 A 7 7 GLY N N 7 110.716 107.153 3.563 1
1 12 . 19 1 1 A 7 7 GLY H H 7 8.429 7.821 0.608 1
1 13 . 19 1 1 A 7 7 GLY CA C 7 45.403 44.420 0.983 1
1 14 . 19 1 1 A 7 7 GLY HA2 H 7 3.976 4.051 -0.075 1
1 15 . 19 1 1 A 7 7 GLY HA3 H 7 3.976 4.053 -0.077 1
1 16 . 19 1 1 A 7 7 GLY C C 7 174.231 174.249 -0.018 1
1 17 . 19 1 1 A 8 8 LEU N N 8 121.547 121.058 0.489 1
1 18 . 19 1 1 A 8 8 LEU H H 8 8.132 8.375 -0.243 1
1 19 . 19 1 1 A 8 8 LEU CA C 8 55.233 54.024 1.209 1
1 20 . 19 1 1 A 8 8 LEU HA H 8 4.356 4.468 -0.112 1
1 21 . 19 1 1 A 8 8 LEU CB C 8 42.416 41.352 1.064 1
1 31 . 19 1 1 A 8 8 LEU C C 8 177.479 176.235 1.244 1
1 32 . 19 1 1 A 9 9 ASP N N 9 120.983 119.429 1.554 1
1 33 . 19 1 1 A 9 9 ASP H H 9 8.413 7.910 0.503 1
1 34 . 19 1 1 A 9 9 ASP CA C 9 54.826 52.460 2.366 1
1 35 . 19 1 1 A 9 9 ASP HA H 9 4.555 5.477 -0.922 1
1 36 . 19 1 1 A 9 9 ASP CB C 9 40.967 42.491 -1.524 1
1 39 . 19 1 1 A 9 9 ASP C C 9 176.609 175.086 1.523 1
1 40 . 19 1 1 A 10 10 SER N N 10 115.538 118.406 -2.868 1
1 41 . 19 1 1 A 10 10 SER H H 10 8.146 8.823 -0.677 1
1 42 . 19 1 1 A 10 10 SER CA C 10 58.926 57.371 1.555 1
1 43 . 19 1 1 A 10 10 SER HA H 10 4.361 5.017 -0.656 1
1 44 . 19 1 1 A 10 10 SER CB C 10 63.924 66.723 -2.799 1
1 47 . 19 1 1 A 10 10 SER C C 10 174.922 175.160 -0.238 1
1 48 . 19 1 1 A 11 11 GLU N N 11 122.324 122.559 -0.235 1
1 49 . 19 1 1 A 11 11 GLU H H 11 8.416 9.046 -0.630 1
1 50 . 19 1 1 A 11 11 GLU CA C 11 56.763 59.038 -2.275 1
1 51 . 19 1 1 A 11 11 GLU HA H 11 4.262 3.807 0.455 1
1 52 . 19 1 1 A 11 11 GLU CB C 11 29.860 29.132 0.728 1
1 58 . 19 1 1 A 11 11 GLU C C 11 176.347 176.740 -0.393 1
1 59 . 19 1 1 A 12 12 LEU N N 12 121.580 117.023 4.557 1
1 60 . 19 1 1 A 12 12 LEU H H 12 7.957 7.998 -0.041 1
1 61 . 19 1 1 A 12 12 LEU CA C 12 54.921 56.321 -1.400 1
1 62 . 19 1 1 A 12 12 LEU HA H 12 4.311 3.922 0.389 1
1 63 . 19 1 1 A 12 12 LEU CB C 12 42.313 40.288 2.025 1
1 76 . 19 1 1 A 12 12 LEU C C 12 176.945 175.937 1.008 1
1 77 . 19 1 1 A 13 13 GLU N N 13 122.146 110.129 12.017 1
1 78 . 19 1 1 A 13 13 GLU H H 13 8.088 8.452 -0.364 1
1 79 . 19 1 1 A 13 13 GLU CA C 13 56.222 57.139 -0.917 1
1 80 . 19 1 1 A 13 13 GLU HA H 13 4.236 3.814 0.422 1
1 81 . 19 1 1 A 13 13 GLU CB C 13 30.332 27.474 2.858 1
1 86 . 19 1 1 A 13 13 GLU C C 13 175.667 175.898 -0.231 1
1 87 . 19 1 1 A 14 14 LEU N N 14 123.302 120.323 2.979 1
1 88 . 19 1 1 A 14 14 LEU H H 14 8.331 7.820 0.511 1
1 89 . 19 1 1 A 14 14 LEU CA C 14 52.689 53.712 -1.023 1
1 90 . 19 1 1 A 14 14 LEU HA H 14 4.376 4.063 0.313 1
1 91 . 19 1 1 A 14 14 LEU CB C 14 41.859 41.364 0.495 1
1 104 . 19 1 1 A 14 14 LEU C C 14 174.694 177.355 -2.661 1
1 105 . 19 1 1 A 15 15 PRO CA C 15 61.808 65.763 -3.955 1
1 106 . 19 1 1 A 15 15 PRO HA H 15 4.509 4.423 0.086 1
1 107 . 19 1 1 A 15 15 PRO CB C 15 31.501 31.544 -0.043 1
1 116 . 19 1 1 A 15 15 PRO C C 15 175.733 176.512 -0.779 1
1 117 . 19 1 1 A 16 16 ALA N N 16 123.226 117.050 6.176 1
1 118 . 19 1 1 A 16 16 ALA H H 16 8.427 8.031 0.396 1
1 119 . 19 1 1 A 16 16 ALA CA C 16 53.836 51.500 2.336 1
1 120 . 19 1 1 A 16 16 ALA HA H 16 4.235 4.797 -0.562 1
1 121 . 19 1 1 A 16 16 ALA CB C 16 18.391 22.778 -4.387 1
1 125 . 19 1 1 A 16 16 ALA C C 16 178.641 177.106 1.535 1
1 126 . 19 1 1 A 17 17 GLY N N 17 110.263 110.031 0.232 1
1 127 . 19 1 1 A 17 17 GLY H H 17 8.816 8.750 0.066 1
1 128 . 19 1 1 A 17 17 GLY CA C 17 45.465 46.104 -0.639 1
1 129 . 19 1 1 A 17 17 GLY HA2 H 17 3.759 3.760 -0.001 1
1 130 . 19 1 1 A 17 17 GLY HA3 H 17 4.261 3.881 0.380 1
1 131 . 19 1 1 A 17 17 GLY C C 17 173.251 173.656 -0.405 1
1 132 . 19 1 1 A 18 18 TRP N N 18 118.263 119.275 -1.012 1
1 133 . 19 1 1 A 18 18 TRP H H 18 7.782 7.946 -0.164 1
1 134 . 19 1 1 A 18 18 TRP CA C 18 56.679 56.109 0.570 1
1 135 . 19 1 1 A 18 18 TRP HA H 18 5.840 5.214 0.626 1
1 136 . 19 1 1 A 18 18 TRP CB C 18 32.215 32.797 -0.582 1
1 151 . 19 1 1 A 18 18 TRP C C 18 177.038 174.874 2.164 1
1 152 . 19 1 1 A 19 19 GLU N N 19 122.023 123.545 -1.522 1
1 153 . 19 1 1 A 19 19 GLU H H 19 9.480 8.855 0.625 1
1 154 . 19 1 1 A 19 19 GLU CA C 19 55.126 55.092 0.034 1
1 155 . 19 1 1 A 19 19 GLU HA H 19 4.679 5.129 -0.450 1
1 156 . 19 1 1 A 19 19 GLU CB C 19 34.865 33.385 1.480 1
1 162 . 19 1 1 A 19 19 GLU C C 19 173.752 175.067 -1.315 1
1 163 . 19 1 1 A 20 20 LYS N N 20 127.008 128.120 -1.112 1
1 164 . 19 1 1 A 20 20 LYS H H 20 8.848 8.704 0.144 1
1 165 . 19 1 1 A 20 20 LYS CA C 20 55.531 56.469 -0.938 1
1 166 . 19 1 1 A 20 20 LYS HA H 20 4.379 4.788 -0.409 1
1 167 . 19 1 1 A 20 20 LYS CB C 20 33.946 33.185 0.761 1
1 178 . 19 1 1 A 20 20 LYS C C 20 174.530 174.821 -0.291 1
1 179 . 19 1 1 A 21 21 ILE N N 21 130.740 129.268 1.472 1
1 180 . 19 1 1 A 21 21 ILE H H 21 8.894 9.159 -0.265 1
1 181 . 19 1 1 A 21 21 ILE CA C 21 58.996 60.042 -1.046 1
1 182 . 19 1 1 A 21 21 ILE HA H 21 4.035 4.497 -0.462 1
1 183 . 19 1 1 A 21 21 ILE CB C 21 38.249 38.245 0.004 1
1 196 . 19 1 1 A 21 21 ILE C C 21 173.612 174.498 -0.886 1
1 197 . 19 1 1 A 22 22 GLU N N 22 124.546 127.473 -2.927 1
1 198 . 19 1 1 A 22 22 GLU H H 22 8.273 8.867 -0.594 1
1 199 . 19 1 1 A 22 22 GLU CA C 22 54.652 55.345 -0.693 1
1 200 . 19 1 1 A 22 22 GLU HA H 22 4.429 4.739 -0.310 1
1 201 . 19 1 1 A 22 22 GLU CB C 22 29.876 30.918 -1.042 1
1 207 . 19 1 1 A 22 22 GLU C C 22 174.548 175.270 -0.722 1
1 208 . 19 1 1 A 23 23 ASP N N 23 128.325 126.061 2.264 1
1 209 . 19 1 1 A 23 23 ASP H H 23 8.368 8.626 -0.258 1
1 210 . 19 1 1 A 23 23 ASP CA C 23 51.555 50.582 0.973 1
1 211 . 19 1 1 A 23 23 ASP HA H 23 5.093 5.237 -0.144 1
1 212 . 19 1 1 A 23 23 ASP CB C 23 45.902 42.560 3.342 1
1 215 . 19 1 1 A 23 23 ASP C C 23 175.729 176.161 -0.432 1
1 216 . 19 1 1 A 24 24 PRO CA C 24 64.824 64.854 -0.030 1
1 217 . 19 1 1 A 24 24 PRO HA H 24 4.356 4.469 -0.113 1
1 218 . 19 1 1 A 24 24 PRO CB C 24 32.297 32.267 0.030 1
1 227 . 19 1 1 A 24 24 PRO C C 24 176.540 177.478 -0.938 1
1 228 . 19 1 1 A 25 25 VAL N N 25 118.640 116.091 2.549 1
1 229 . 19 1 1 A 25 25 VAL H H 25 8.485 7.846 0.639 1
1 230 . 19 1 1 A 25 25 VAL CA C 25 64.125 64.099 0.026 1
1 231 . 19 1 1 A 25 25 VAL HA H 25 3.856 3.950 -0.094 1
1 232 . 19 1 1 A 25 25 VAL CB C 25 33.098 32.732 0.366 1
1 242 . 19 1 1 A 25 25 VAL C C 25 177.626 177.351 0.275 1
1 243 . 19 1 1 A 26 26 TYR N N 26 117.602 117.086 0.516 1
1 244 . 19 1 1 A 26 26 TYR H H 26 8.632 8.314 0.318 1
1 245 . 19 1 1 A 26 26 TYR CA C 26 59.189 59.484 -0.295 1
1 246 . 19 1 1 A 26 26 TYR HA H 26 4.469 4.532 -0.063 1
1 247 . 19 1 1 A 26 26 TYR CB C 26 39.193 38.823 0.370 1
1 258 . 19 1 1 A 26 26 TYR C C 26 176.124 176.650 -0.526 1
1 259 . 19 1 1 A 27 27 GLY N N 27 110.042 106.668 3.374 1
1 260 . 19 1 1 A 27 27 GLY H H 27 8.181 7.942 0.239 1
1 261 . 19 1 1 A 27 27 GLY CA C 27 44.979 44.634 0.345 1
1 262 . 19 1 1 A 27 27 GLY HA2 H 27 3.890 4.179 -0.289 1
1 263 . 19 1 1 A 27 27 GLY HA3 H 27 4.390 4.223 0.167 1
1 264 . 19 1 1 A 27 27 GLY C C 27 173.043 173.594 -0.551 1
1 265 . 19 1 1 A 28 28 ILE N N 28 121.278 121.427 -0.149 1
1 266 . 19 1 1 A 28 28 ILE H H 28 8.259 8.394 -0.135 1
1 267 . 19 1 1 A 28 28 ILE CA C 28 60.867 61.511 -0.644 1
1 268 . 19 1 1 A 28 28 ILE HA H 28 4.900 4.884 0.016 1
1 269 . 19 1 1 A 28 28 ILE CB C 28 38.763 37.854 0.909 1
1 282 . 19 1 1 A 28 28 ILE C C 28 176.805 175.269 1.536 1
1 283 . 19 1 1 A 29 29 TYR N N 29 124.534 124.060 0.474 1
1 284 . 19 1 1 A 29 29 TYR H H 29 8.822 8.779 0.043 1
1 285 . 19 1 1 A 29 29 TYR CA C 29 56.332 55.512 0.820 1
1 286 . 19 1 1 A 29 29 TYR HA H 29 4.712 5.162 -0.450 1
1 287 . 19 1 1 A 29 29 TYR CB C 29 38.879 41.699 -2.820 1
1 298 . 19 1 1 A 29 29 TYR C C 29 170.710 171.957 -1.247 1
1 299 . 19 1 1 A 30 30 TYR N N 30 116.432 120.422 -3.990 1
1 300 . 19 1 1 A 30 30 TYR H H 30 8.981 8.931 0.050 1
1 301 . 19 1 1 A 30 30 TYR CA C 30 56.921 57.676 -0.755 1
1 302 . 19 1 1 A 30 30 TYR HA H 30 5.417 5.733 -0.316 1
1 303 . 19 1 1 A 30 30 TYR CB C 30 41.603 40.334 1.269 1
1 314 . 19 1 1 A 30 30 TYR C C 30 174.825 175.065 -0.240 1
1 315 . 19 1 1 A 31 31 VAL N N 31 121.385 124.055 -2.670 1
1 316 . 19 1 1 A 31 31 VAL H H 31 9.266 9.160 0.106 1
1 317 . 19 1 1 A 31 31 VAL CA C 31 60.346 59.693 0.653 1
1 318 . 19 1 1 A 31 31 VAL HA H 31 4.610 4.814 -0.204 1
1 319 . 19 1 1 A 31 31 VAL CB C 31 35.393 34.140 1.253 1
1 329 . 19 1 1 A 31 31 VAL C C 31 173.103 173.691 -0.588 1
1 330 . 19 1 1 A 32 32 ASP N N 32 126.129 128.807 -2.678 1
1 331 . 19 1 1 A 32 32 ASP H H 32 8.340 8.489 -0.149 1
1 332 . 19 1 1 A 32 32 ASP CA C 32 51.134 52.051 -0.917 1
1 333 . 19 1 1 A 32 32 ASP HA H 32 3.702 4.637 -0.935 1
1 334 . 19 1 1 A 32 32 ASP CB C 32 39.252 41.096 -1.844 1
1 337 . 19 1 1 A 32 32 ASP C C 32 177.731 176.809 0.922 1
1 338 . 19 1 1 A 33 33 HIS N N 33 121.984 122.909 -0.925 1
1 339 . 19 1 1 A 33 33 HIS H H 33 8.728 8.610 0.118 1
1 340 . 19 1 1 A 33 33 HIS CA C 33 58.404 56.673 1.731 1
1 341 . 19 1 1 A 33 33 HIS HA H 33 4.218 4.589 -0.371 1
1 342 . 19 1 1 A 33 33 HIS CB C 33 30.594 29.149 1.445 1
1 349 . 19 1 1 A 33 33 HIS C C 33 176.844 175.630 1.214 1
1 350 . 19 1 1 A 34 34 ILE N N 34 120.023 117.908 2.115 1
1 351 . 19 1 1 A 34 34 ILE H H 34 8.090 7.682 0.408 1
1 352 . 19 1 1 A 34 34 ILE CA C 34 63.382 62.467 0.915 1
1 353 . 19 1 1 A 34 34 ILE HA H 34 3.845 4.098 -0.253 1
1 354 . 19 1 1 A 34 34 ILE CB C 34 37.023 40.167 -3.144 1
1 367 . 19 1 1 A 34 34 ILE C C 34 177.464 177.100 0.364 1
1 368 . 19 1 1 A 35 35 ASN N N 35 115.543 117.311 -1.768 1
1 369 . 19 1 1 A 35 35 ASN H H 35 7.620 7.843 -0.223 1
1 370 . 19 1 1 A 35 35 ASN CA C 35 53.139 52.783 0.356 1
1 371 . 19 1 1 A 35 35 ASN HA H 35 4.587 4.738 -0.151 1
1 372 . 19 1 1 A 35 35 ASN CB C 35 38.909 38.689 0.220 1
1 378 . 19 1 1 A 35 35 ASN C C 35 173.887 174.458 -0.571 1
1 379 . 19 1 1 A 36 36 ARG N N 36 117.698 116.499 1.199 1
1 380 . 19 1 1 A 36 36 ARG H H 36 7.596 7.482 0.114 1
1 381 . 19 1 1 A 36 36 ARG CA C 36 56.824 57.087 -0.263 1
1 382 . 19 1 1 A 36 36 ARG HA H 36 3.850 3.744 0.106 1
1 383 . 19 1 1 A 36 36 ARG CB C 36 26.161 27.089 -0.928 1
1 390 . 19 1 1 A 36 36 ARG C C 36 174.732 174.638 0.094 1
1 391 . 19 1 1 A 37 37 LYS N N 37 117.773 114.380 3.393 1
1 392 . 19 1 1 A 37 37 LYS H H 37 7.471 7.388 0.083 1
1 393 . 19 1 1 A 37 37 LYS CA C 37 54.528 54.664 -0.136 1
1 394 . 19 1 1 A 37 37 LYS HA H 37 4.795 4.929 -0.134 1
1 395 . 19 1 1 A 37 37 LYS CB C 37 36.493 36.394 0.099 1
1 404 . 19 1 1 A 37 37 LYS C C 37 174.870 174.581 0.289 1
1 405 . 19 1 1 A 38 38 THR N N 38 114.635 111.661 2.974 1
1 406 . 19 1 1 A 38 38 THR H H 38 8.322 8.642 -0.320 1
1 407 . 19 1 1 A 38 38 THR CA C 38 60.506 60.142 0.364 1
1 408 . 19 1 1 A 38 38 THR HA H 38 5.390 5.191 0.199 1
1 409 . 19 1 1 A 38 38 THR CB C 38 71.424 71.599 -0.175 1
1 415 . 19 1 1 A 38 38 THR C C 38 173.840 173.485 0.355 1
1 416 . 19 1 1 A 39 39 GLN N N 39 117.672 120.651 -2.979 1
1 417 . 19 1 1 A 39 39 GLN H H 39 9.335 8.736 0.599 1
1 418 . 19 1 1 A 39 39 GLN CA C 39 54.878 53.974 0.904 1
1 419 . 19 1 1 A 39 39 GLN HA H 39 4.899 4.755 0.144 1
1 420 . 19 1 1 A 39 39 GLN CB C 39 32.186 31.362 0.824 1
1 429 . 19 1 1 A 39 39 GLN C C 39 174.549 174.855 -0.306 1
1 430 . 19 1 1 A 40 40 TYR N N 40 119.391 118.204 1.187 1
1 431 . 19 1 1 A 40 40 TYR H H 40 8.858 8.549 0.309 1
1 432 . 19 1 1 A 40 40 TYR CA C 40 60.804 59.946 0.858 1
1 433 . 19 1 1 A 40 40 TYR HA H 40 4.752 4.625 0.127 1
1 434 . 19 1 1 A 40 40 TYR CB C 40 39.167 39.932 -0.765 1
1 445 . 19 1 1 A 40 40 TYR C C 40 176.295 176.222 0.073 1
1 446 . 19 1 1 A 41 41 GLU N N 41 119.491 118.425 1.066 1
1 447 . 19 1 1 A 41 41 GLU H H 41 8.079 7.978 0.101 1
1 448 . 19 1 1 A 41 41 GLU CA C 41 56.296 56.976 -0.680 1
1 449 . 19 1 1 A 41 41 GLU HA H 41 4.351 4.277 0.074 1
1 450 . 19 1 1 A 41 41 GLU CB C 41 30.517 30.007 0.510 1
1 456 . 19 1 1 A 41 41 GLU C C 41 175.460 176.449 -0.989 1
1 457 . 19 1 1 A 42 42 ASN N N 42 125.050 125.199 -0.149 1
1 458 . 19 1 1 A 42 42 ASN H H 42 8.720 8.811 -0.091 1
1 459 . 19 1 1 A 42 42 ASN CA C 42 51.186 51.251 -0.065 1
1 460 . 19 1 1 A 42 42 ASN HA H 42 2.979 4.881 -1.902 1
1 461 . 19 1 1 A 42 42 ASN CB C 42 38.637 39.345 -0.708 1
1 467 . 19 1 1 A 42 42 ASN C C 42 174.950 175.540 -0.590 1
1 468 . 19 1 1 A 43 43 PRO CA C 43 63.681 65.381 -1.700 1
1 469 . 19 1 1 A 43 43 PRO HA H 43 3.869 4.171 -0.302 1
1 470 . 19 1 1 A 43 43 PRO CB C 43 31.408 30.905 0.503 1
1 479 . 19 1 1 A 43 43 PRO C C 43 178.273 178.675 -0.402 1
1 480 . 19 1 1 A 44 44 VAL N N 44 119.901 115.578 4.323 1
1 481 . 19 1 1 A 44 44 VAL H H 44 7.968 7.357 0.611 1
1 482 . 19 1 1 A 44 44 VAL CA C 44 64.744 65.739 -0.995 1
1 483 . 19 1 1 A 44 44 VAL HA H 44 3.646 3.553 0.093 1
1 484 . 19 1 1 A 44 44 VAL CB C 44 31.581 31.451 0.130 1
1 494 . 19 1 1 A 44 44 VAL C C 44 177.625 178.305 -0.680 1
1 495 . 19 1 1 A 45 45 LEU N N 45 120.711 119.453 1.258 1
1 496 . 19 1 1 A 45 45 LEU H H 45 7.076 7.948 -0.872 1
1 497 . 19 1 1 A 45 45 LEU CA C 45 56.822 58.049 -1.227 1
1 498 . 19 1 1 A 45 45 LEU HA H 45 3.994 3.865 0.129 1
1 499 . 19 1 1 A 45 45 LEU CB C 45 41.194 41.166 0.028 1
1 512 . 19 1 1 A 45 45 LEU C C 45 179.099 179.020 0.079 1
1 513 . 19 1 1 A 46 46 GLU N N 46 120.581 119.852 0.729 1
1 514 . 19 1 1 A 46 46 GLU H H 46 8.001 7.839 0.162 1
1 515 . 19 1 1 A 46 46 GLU CA C 46 58.462 59.353 -0.891 1
1 516 . 19 1 1 A 46 46 GLU HA H 46 3.961 3.997 -0.036 1
1 517 . 19 1 1 A 46 46 GLU CB C 46 29.956 29.127 0.829 1
1 523 . 19 1 1 A 46 46 GLU C C 46 177.685 178.308 -0.623 1
1 524 . 19 1 1 A 47 47 ALA N N 47 121.265 121.227 0.038 1
1 525 . 19 1 1 A 47 47 ALA H H 47 7.625 8.095 -0.470 1
1 526 . 19 1 1 A 47 47 ALA CA C 47 54.438 54.957 -0.519 1
1 527 . 19 1 1 A 47 47 ALA HA H 47 4.082 4.102 -0.020 1
1 528 . 19 1 1 A 47 47 ALA CB C 47 18.192 18.837 -0.645 1
1 532 . 19 1 1 A 47 47 ALA C C 47 179.879 179.674 0.205 1
1 533 . 19 1 1 A 48 48 LYS N N 48 118.414 116.849 1.565 1
1 534 . 19 1 1 A 48 48 LYS H H 48 7.776 7.914 -0.138 1
1 535 . 19 1 1 A 48 48 LYS CA C 48 58.491 58.908 -0.417 1
1 536 . 19 1 1 A 48 48 LYS HA H 48 4.063 4.076 -0.013 1
1 537 . 19 1 1 A 48 48 LYS CB C 48 32.565 31.598 0.967 1
1 547 . 19 1 1 A 48 48 LYS C C 48 178.235 178.344 -0.109 1
1 548 . 19 1 1 A 49 49 ARG N N 49 120.324 119.849 0.475 1
1 549 . 19 1 1 A 49 49 ARG H H 49 7.968 7.982 -0.014 1
1 550 . 19 1 1 A 49 49 ARG CA C 49 58.156 58.502 -0.346 1
1 551 . 19 1 1 A 49 49 ARG HA H 49 4.140 4.083 0.057 1
1 552 . 19 1 1 A 49 49 ARG CB C 49 30.349 30.085 0.264 1
1 561 . 19 1 1 A 49 49 ARG C C 49 177.985 178.055 -0.070 1
1 562 . 19 1 1 A 50 50 LYS N N 50 120.001 117.422 2.579 1
1 563 . 19 1 1 A 50 50 LYS H H 50 8.051 8.278 -0.227 1
1 564 . 19 1 1 A 50 50 LYS CA C 50 58.185 58.147 0.038 1
1 565 . 19 1 1 A 50 50 LYS HA H 50 4.099 4.213 -0.114 1
1 566 . 19 1 1 A 50 50 LYS CB C 50 32.645 32.832 -0.187 1
1 575 . 19 1 1 A 50 50 LYS C C 50 177.791 178.716 -0.925 1
1 576 . 19 1 1 A 51 51 LYS N N 51 120.458 119.740 0.718 1
1 577 . 19 1 1 A 51 51 LYS H H 51 7.915 8.162 -0.247 1
1 578 . 19 1 1 A 51 51 LYS CA C 51 57.452 58.707 -1.255 1
1 579 . 19 1 1 A 51 51 LYS HA H 51 4.189 4.229 -0.040 1
1 580 . 19 1 1 A 51 51 LYS CB C 51 32.620 32.932 -0.312 1
1 590 . 19 1 1 A 51 51 LYS C C 51 177.670 178.637 -0.967 1
1 591 . 19 1 1 A 52 52 GLN N N 52 119.883 116.330 3.553 1
1 592 . 19 1 1 A 52 52 GLN H H 52 8.060 7.969 0.091 1
1 593 . 19 1 1 A 52 52 GLN CA C 52 56.866 58.294 -1.428 1
1 594 . 19 1 1 A 52 52 GLN HA H 52 4.213 4.129 0.084 1
1 595 . 19 1 1 A 52 52 GLN CB C 52 28.969 28.109 0.860 1
1 604 . 19 1 1 A 52 52 GLN C C 52 176.851 176.526 0.325 1
1 605 . 19 1 1 A 53 53 LEU N N 53 121.489 122.754 -1.265 1
1 606 . 19 1 1 A 53 53 LEU H H 53 8.027 7.589 0.438 1
1 607 . 19 1 1 A 53 53 LEU CA C 53 55.826 55.502 0.324 1
1 608 . 19 1 1 A 53 53 LEU HA H 53 4.288 4.092 0.196 1
1 609 . 19 1 1 A 53 53 LEU CB C 53 42.379 41.763 0.616 1
1 622 . 19 1 1 A 53 53 LEU C C 53 177.973 176.156 1.817 1
1 623 . 19 1 1 A 54 54 GLU N N 54 120.395 123.869 -3.474 1
1 624 . 19 1 1 A 54 54 GLU H H 54 8.141 8.774 -0.633 1
1 625 . 19 1 1 A 54 54 GLU CA C 54 56.906 54.935 1.971 1
1 626 . 19 1 1 A 54 54 GLU HA H 54 4.291 5.124 -0.833 1
1 627 . 19 1 1 A 54 54 GLU CB C 54 30.228 31.550 -1.322 1
1 633 . 19 1 1 A 54 54 GLU C C 54 176.762 175.324 1.438 1
1 634 . 19 1 1 A 55 55 SER N N 55 115.834 121.703 -5.869 1
1 635 . 19 1 1 A 55 55 SER H H 55 8.178 8.742 -0.564 1
1 636 . 19 1 1 A 55 55 SER CA C 55 58.606 58.886 -0.280 1
1 637 . 19 1 1 A 55 55 SER HA H 55 4.492 4.745 -0.253 1
1 638 . 19 1 1 A 55 55 SER CB C 55 63.869 64.383 -0.514 1
1 641 . 19 1 1 A 55 55 SER C C 55 174.614 174.487 0.127 1
1 642 . 19 1 1 A 56 56 GLY N N 56 110.601 110.415 0.186 1
1 643 . 19 1 1 A 56 56 GLY H H 56 8.163 8.666 -0.503 1
1 644 . 19 1 1 A 56 56 GLY CA C 56 44.731 44.544 0.187 1
1 645 . 19 1 1 A 56 56 GLY HA2 H 56 4.098 4.189 -0.091 1
1 646 . 19 1 1 A 56 56 GLY HA3 H 56 4.167 4.189 -0.022 1
1 647 . 19 1 1 A 56 56 GLY C C 56 171.805 172.702 -0.897 1
1 648 . 19 1 1 A 57 57 PRO CA C 57 63.271 62.836 0.435 1
1 649 . 19 1 1 A 57 57 PRO HA H 57 4.475 4.529 -0.054 1
1 650 . 19 1 1 A 57 57 PRO CB C 57 32.133 31.819 0.314 1
1 659 . 19 1 1 A 57 57 PRO C C 57 177.422 177.061 0.361 1
1 660 . 19 1 1 A 58 58 SER N N 58 116.422 118.892 -2.470 1
1 661 . 19 1 1 A 58 58 SER H H 58 8.524 8.296 0.228 1
1 662 . 19 1 1 A 58 58 SER CA C 58 58.457 60.091 -1.634 1
1 663 . 19 1 1 A 58 58 SER HA H 58 4.494 4.381 0.113 1
1 664 . 19 1 1 A 58 58 SER CB C 58 63.945 63.965 -0.020 1
1 667 . 19 1 1 A 58 58 SER C C 58 174.720 174.496 0.224 1
1 668 . 19 1 1 A 59 59 SER N N 59 117.951 118.694 -0.743 1
1 669 . 19 1 1 A 59 59 SER H H 59 8.342 8.680 -0.338 1
1 670 . 19 1 1 A 59 59 SER CA C 59 58.327 57.829 0.498 1
1 671 . 19 1 1 A 59 59 SER HA H 59 4.491 5.105 -0.614 1
1 672 . 19 1 1 A 59 59 SER CB C 59 63.965 66.499 -2.534 1
1 675 . 19 1 1 A 59 59 SER C C 59 173.967 173.079 0.888 1
1 1 . 20 1 1 A 5 5 SER N N 5 115.829 115.984 -0.155 1
1 2 . 20 1 1 A 5 5 SER CA C 5 58.317 57.909 0.408 1
1 3 . 20 1 1 A 5 5 SER CB C 5 63.703 64.879 -1.176 1
1 4 . 20 1 1 A 5 5 SER C C 5 174.849 174.249 0.600 1
1 5 . 20 1 1 A 6 6 SER N N 6 117.994 121.026 -3.032 1
1 6 . 20 1 1 A 6 6 SER CA C 6 58.677 58.308 0.369 1
1 7 . 20 1 1 A 6 6 SER HA H 6 4.501 4.702 -0.201 1
1 8 . 20 1 1 A 6 6 SER CB C 6 63.732 64.046 -0.314 1
1 10 . 20 1 1 A 6 6 SER C C 6 175.043 174.572 0.471 1
1 11 . 20 1 1 A 7 7 GLY N N 7 110.716 111.673 -0.957 1
1 12 . 20 1 1 A 7 7 GLY H H 7 8.429 8.600 -0.171 1
1 13 . 20 1 1 A 7 7 GLY CA C 7 45.403 46.991 -1.588 1
1 14 . 20 1 1 A 7 7 GLY HA2 H 7 3.976 3.898 0.078 1
1 15 . 20 1 1 A 7 7 GLY HA3 H 7 3.976 3.942 0.034 1
1 16 . 20 1 1 A 7 7 GLY C C 7 174.231 175.374 -1.143 1
1 17 . 20 1 1 A 8 8 LEU N N 8 121.547 121.596 -0.049 1
1 18 . 20 1 1 A 8 8 LEU H H 8 8.132 7.787 0.345 1
1 19 . 20 1 1 A 8 8 LEU CA C 8 55.233 58.039 -2.806 1
1 20 . 20 1 1 A 8 8 LEU HA H 8 4.356 3.954 0.402 1
1 21 . 20 1 1 A 8 8 LEU CB C 8 42.416 41.666 0.750 1
1 31 . 20 1 1 A 8 8 LEU C C 8 177.479 176.824 0.655 1
1 32 . 20 1 1 A 9 9 ASP N N 9 120.983 121.480 -0.497 1
1 33 . 20 1 1 A 9 9 ASP H H 9 8.413 7.646 0.767 1
1 34 . 20 1 1 A 9 9 ASP CA C 9 54.826 54.004 0.822 1
1 35 . 20 1 1 A 9 9 ASP HA H 9 4.555 4.576 -0.021 1
1 36 . 20 1 1 A 9 9 ASP CB C 9 40.967 41.914 -0.947 1
1 39 . 20 1 1 A 9 9 ASP C C 9 176.609 175.477 1.132 1
1 40 . 20 1 1 A 10 10 SER N N 10 115.538 115.298 0.240 1
1 41 . 20 1 1 A 10 10 SER H H 10 8.146 8.628 -0.482 1
1 42 . 20 1 1 A 10 10 SER CA C 10 58.926 57.216 1.710 1
1 43 . 20 1 1 A 10 10 SER HA H 10 4.361 4.847 -0.486 1
1 44 . 20 1 1 A 10 10 SER CB C 10 63.924 65.427 -1.503 1
1 47 . 20 1 1 A 10 10 SER C C 10 174.922 174.717 0.205 1
1 48 . 20 1 1 A 11 11 GLU N N 11 122.324 119.744 2.580 1
1 49 . 20 1 1 A 11 11 GLU H H 11 8.416 9.043 -0.627 1
1 50 . 20 1 1 A 11 11 GLU CA C 11 56.763 59.024 -2.261 1
1 51 . 20 1 1 A 11 11 GLU HA H 11 4.262 3.739 0.523 1
1 52 . 20 1 1 A 11 11 GLU CB C 11 29.860 29.255 0.605 1
1 58 . 20 1 1 A 11 11 GLU C C 11 176.347 176.776 -0.429 1
1 59 . 20 1 1 A 12 12 LEU N N 12 121.580 117.042 4.538 1
1 60 . 20 1 1 A 12 12 LEU H H 12 7.957 8.012 -0.055 1
1 61 . 20 1 1 A 12 12 LEU CA C 12 54.921 56.301 -1.380 1
1 62 . 20 1 1 A 12 12 LEU HA H 12 4.311 3.884 0.427 1
1 63 . 20 1 1 A 12 12 LEU CB C 12 42.313 40.455 1.858 1
1 76 . 20 1 1 A 12 12 LEU C C 12 176.945 175.980 0.965 1
1 77 . 20 1 1 A 13 13 GLU N N 13 122.146 110.037 12.109 1
1 78 . 20 1 1 A 13 13 GLU H H 13 8.088 8.444 -0.356 1
1 79 . 20 1 1 A 13 13 GLU CA C 13 56.222 57.107 -0.885 1
1 80 . 20 1 1 A 13 13 GLU HA H 13 4.236 3.764 0.472 1
1 81 . 20 1 1 A 13 13 GLU CB C 13 30.332 27.464 2.868 1
1 86 . 20 1 1 A 13 13 GLU C C 13 175.667 175.869 -0.202 1
1 87 . 20 1 1 A 14 14 LEU N N 14 123.302 120.299 3.003 1
1 88 . 20 1 1 A 14 14 LEU H H 14 8.331 7.810 0.521 1
1 89 . 20 1 1 A 14 14 LEU CA C 14 52.689 53.739 -1.050 1
1 90 . 20 1 1 A 14 14 LEU HA H 14 4.376 4.069 0.307 1
1 91 . 20 1 1 A 14 14 LEU CB C 14 41.859 41.343 0.516 1
1 104 . 20 1 1 A 14 14 LEU C C 14 174.694 177.203 -2.509 1
1 105 . 20 1 1 A 15 15 PRO CA C 15 61.808 66.019 -4.211 1
1 106 . 20 1 1 A 15 15 PRO HA H 15 4.509 4.437 0.072 1
1 107 . 20 1 1 A 15 15 PRO CB C 15 31.501 31.534 -0.033 1
1 116 . 20 1 1 A 15 15 PRO C C 15 175.733 176.503 -0.770 1
1 117 . 20 1 1 A 16 16 ALA N N 16 123.226 117.053 6.173 1
1 118 . 20 1 1 A 16 16 ALA H H 16 8.427 8.065 0.362 1
1 119 . 20 1 1 A 16 16 ALA CA C 16 53.836 51.479 2.357 1
1 120 . 20 1 1 A 16 16 ALA HA H 16 4.235 4.785 -0.550 1
1 121 . 20 1 1 A 16 16 ALA CB C 16 18.391 22.768 -4.377 1
1 125 . 20 1 1 A 16 16 ALA C C 16 178.641 177.079 1.562 1
1 126 . 20 1 1 A 17 17 GLY N N 17 110.263 109.914 0.349 1
1 127 . 20 1 1 A 17 17 GLY H H 17 8.816 8.738 0.078 1
1 128 . 20 1 1 A 17 17 GLY CA C 17 45.465 45.956 -0.491 1
1 129 . 20 1 1 A 17 17 GLY HA2 H 17 3.759 3.740 0.019 1
1 130 . 20 1 1 A 17 17 GLY HA3 H 17 4.261 3.856 0.405 1
1 131 . 20 1 1 A 17 17 GLY C C 17 173.251 173.550 -0.299 1
1 132 . 20 1 1 A 18 18 TRP N N 18 118.263 119.430 -1.167 1
1 133 . 20 1 1 A 18 18 TRP H H 18 7.782 7.899 -0.117 1
1 134 . 20 1 1 A 18 18 TRP CA C 18 56.679 56.020 0.659 1
1 135 . 20 1 1 A 18 18 TRP HA H 18 5.840 5.083 0.757 1
1 136 . 20 1 1 A 18 18 TRP CB C 18 32.215 32.791 -0.576 1
1 151 . 20 1 1 A 18 18 TRP C C 18 177.038 175.187 1.851 1
1 152 . 20 1 1 A 19 19 GLU N N 19 122.023 123.629 -1.606 1
1 153 . 20 1 1 A 19 19 GLU H H 19 9.480 8.726 0.754 1
1 154 . 20 1 1 A 19 19 GLU CA C 19 55.126 55.124 0.002 1
1 155 . 20 1 1 A 19 19 GLU HA H 19 4.679 5.038 -0.359 1
1 156 . 20 1 1 A 19 19 GLU CB C 19 34.865 33.153 1.712 1
1 162 . 20 1 1 A 19 19 GLU C C 19 173.752 174.861 -1.109 1
1 163 . 20 1 1 A 20 20 LYS N N 20 127.008 127.493 -0.485 1
1 164 . 20 1 1 A 20 20 LYS H H 20 8.848 8.643 0.205 1
1 165 . 20 1 1 A 20 20 LYS CA C 20 55.531 56.403 -0.872 1
1 166 . 20 1 1 A 20 20 LYS HA H 20 4.379 4.698 -0.319 1
1 167 . 20 1 1 A 20 20 LYS CB C 20 33.946 33.271 0.675 1
1 178 . 20 1 1 A 20 20 LYS C C 20 174.530 174.730 -0.200 1
1 179 . 20 1 1 A 21 21 ILE N N 21 130.740 129.182 1.558 1
1 180 . 20 1 1 A 21 21 ILE H H 21 8.894 9.039 -0.145 1
1 181 . 20 1 1 A 21 21 ILE CA C 21 58.996 59.785 -0.789 1
1 182 . 20 1 1 A 21 21 ILE HA H 21 4.035 4.449 -0.414 1
1 183 . 20 1 1 A 21 21 ILE CB C 21 38.249 37.949 0.300 1
1 196 . 20 1 1 A 21 21 ILE C C 21 173.612 174.412 -0.800 1
1 197 . 20 1 1 A 22 22 GLU N N 22 124.546 127.416 -2.870 1
1 198 . 20 1 1 A 22 22 GLU H H 22 8.273 8.819 -0.546 1
1 199 . 20 1 1 A 22 22 GLU CA C 22 54.652 55.281 -0.629 1
1 200 . 20 1 1 A 22 22 GLU HA H 22 4.429 4.649 -0.220 1
1 201 . 20 1 1 A 22 22 GLU CB C 22 29.876 30.891 -1.015 1
1 207 . 20 1 1 A 22 22 GLU C C 22 174.548 175.210 -0.662 1
1 208 . 20 1 1 A 23 23 ASP N N 23 128.325 126.023 2.302 1
1 209 . 20 1 1 A 23 23 ASP H H 23 8.368 8.918 -0.550 1
1 210 . 20 1 1 A 23 23 ASP CA C 23 51.555 50.546 1.009 1
1 211 . 20 1 1 A 23 23 ASP HA H 23 5.093 5.192 -0.099 1
1 212 . 20 1 1 A 23 23 ASP CB C 23 45.902 42.523 3.379 1
1 215 . 20 1 1 A 23 23 ASP C C 23 175.729 176.171 -0.442 1
1 216 . 20 1 1 A 24 24 PRO CA C 24 64.824 64.883 -0.059 1
1 217 . 20 1 1 A 24 24 PRO HA H 24 4.356 4.458 -0.102 1
1 218 . 20 1 1 A 24 24 PRO CB C 24 32.297 32.216 0.081 1
1 227 . 20 1 1 A 24 24 PRO C C 24 176.540 177.663 -1.123 1
1 228 . 20 1 1 A 25 25 VAL N N 25 118.640 116.203 2.437 1
1 229 . 20 1 1 A 25 25 VAL H H 25 8.485 7.815 0.670 1
1 230 . 20 1 1 A 25 25 VAL CA C 25 64.125 64.114 0.011 1
1 231 . 20 1 1 A 25 25 VAL HA H 25 3.856 3.944 -0.088 1
1 232 . 20 1 1 A 25 25 VAL CB C 25 33.098 32.525 0.573 1
1 242 . 20 1 1 A 25 25 VAL C C 25 177.626 177.313 0.313 1
1 243 . 20 1 1 A 26 26 TYR N N 26 117.602 117.154 0.448 1
1 244 . 20 1 1 A 26 26 TYR H H 26 8.632 8.345 0.287 1
1 245 . 20 1 1 A 26 26 TYR CA C 26 59.189 59.645 -0.456 1
1 246 . 20 1 1 A 26 26 TYR HA H 26 4.469 4.502 -0.033 1
1 247 . 20 1 1 A 26 26 TYR CB C 26 39.193 38.843 0.350 1
1 258 . 20 1 1 A 26 26 TYR C C 26 176.124 176.573 -0.449 1
1 259 . 20 1 1 A 27 27 GLY N N 27 110.042 106.610 3.432 1
1 260 . 20 1 1 A 27 27 GLY H H 27 8.181 7.940 0.241 1
1 261 . 20 1 1 A 27 27 GLY CA C 27 44.979 44.704 0.275 1
1 262 . 20 1 1 A 27 27 GLY HA2 H 27 3.890 4.116 -0.226 1
1 263 . 20 1 1 A 27 27 GLY HA3 H 27 4.390 4.139 0.251 1
1 264 . 20 1 1 A 27 27 GLY C C 27 173.043 173.204 -0.161 1
1 265 . 20 1 1 A 28 28 ILE N N 28 121.278 121.253 0.025 1
1 266 . 20 1 1 A 28 28 ILE H H 28 8.259 8.181 0.078 1
1 267 . 20 1 1 A 28 28 ILE CA C 28 60.867 60.856 0.011 1
1 268 . 20 1 1 A 28 28 ILE HA H 28 4.900 4.764 0.136 1
1 269 . 20 1 1 A 28 28 ILE CB C 28 38.763 38.366 0.397 1
1 282 . 20 1 1 A 28 28 ILE C C 28 176.805 174.899 1.906 1
1 283 . 20 1 1 A 29 29 TYR N N 29 124.534 123.836 0.698 1
1 284 . 20 1 1 A 29 29 TYR H H 29 8.822 8.528 0.294 1
1 285 . 20 1 1 A 29 29 TYR CA C 29 56.332 55.343 0.989 1
1 286 . 20 1 1 A 29 29 TYR HA H 29 4.712 4.965 -0.253 1
1 287 . 20 1 1 A 29 29 TYR CB C 29 38.879 41.691 -2.812 1
1 298 . 20 1 1 A 29 29 TYR C C 29 170.710 171.986 -1.276 1
1 299 . 20 1 1 A 30 30 TYR N N 30 116.432 120.396 -3.964 1
1 300 . 20 1 1 A 30 30 TYR H H 30 8.981 8.922 0.059 1
1 301 . 20 1 1 A 30 30 TYR CA C 30 56.921 57.637 -0.716 1
1 302 . 20 1 1 A 30 30 TYR HA H 30 5.417 5.722 -0.305 1
1 303 . 20 1 1 A 30 30 TYR CB C 30 41.603 40.348 1.255 1
1 314 . 20 1 1 A 30 30 TYR C C 30 174.825 174.981 -0.156 1
1 315 . 20 1 1 A 31 31 VAL N N 31 121.385 124.035 -2.650 1
1 316 . 20 1 1 A 31 31 VAL H H 31 9.266 9.129 0.137 1
1 317 . 20 1 1 A 31 31 VAL CA C 31 60.346 59.730 0.616 1
1 318 . 20 1 1 A 31 31 VAL HA H 31 4.610 4.867 -0.257 1
1 319 . 20 1 1 A 31 31 VAL CB C 31 35.393 34.149 1.244 1
1 329 . 20 1 1 A 31 31 VAL C C 31 173.103 173.546 -0.443 1
1 330 . 20 1 1 A 32 32 ASP N N 32 126.129 128.966 -2.837 1
1 331 . 20 1 1 A 32 32 ASP H H 32 8.340 8.605 -0.265 1
1 332 . 20 1 1 A 32 32 ASP CA C 32 51.134 52.123 -0.989 1
1 333 . 20 1 1 A 32 32 ASP HA H 32 3.702 4.702 -1.000 1
1 334 . 20 1 1 A 32 32 ASP CB C 32 39.252 41.623 -2.371 1
1 337 . 20 1 1 A 32 32 ASP C C 32 177.731 176.902 0.829 1
1 338 . 20 1 1 A 33 33 HIS N N 33 121.984 123.188 -1.204 1
1 339 . 20 1 1 A 33 33 HIS H H 33 8.728 8.487 0.241 1
1 340 . 20 1 1 A 33 33 HIS CA C 33 58.404 57.113 1.291 1
1 341 . 20 1 1 A 33 33 HIS HA H 33 4.218 4.591 -0.373 1
1 342 . 20 1 1 A 33 33 HIS CB C 33 30.594 29.220 1.374 1
1 349 . 20 1 1 A 33 33 HIS C C 33 176.844 175.655 1.189 1
1 350 . 20 1 1 A 34 34 ILE N N 34 120.023 117.799 2.224 1
1 351 . 20 1 1 A 34 34 ILE H H 34 8.090 7.371 0.719 1
1 352 . 20 1 1 A 34 34 ILE CA C 34 63.382 62.526 0.856 1
1 353 . 20 1 1 A 34 34 ILE HA H 34 3.845 4.016 -0.171 1
1 354 . 20 1 1 A 34 34 ILE CB C 34 37.023 39.578 -2.555 1
1 367 . 20 1 1 A 34 34 ILE C C 34 177.464 177.086 0.378 1
1 368 . 20 1 1 A 35 35 ASN N N 35 115.543 117.358 -1.815 1
1 369 . 20 1 1 A 35 35 ASN H H 35 7.620 7.863 -0.243 1
1 370 . 20 1 1 A 35 35 ASN CA C 35 53.139 52.805 0.334 1
1 371 . 20 1 1 A 35 35 ASN HA H 35 4.587 4.724 -0.137 1
1 372 . 20 1 1 A 35 35 ASN CB C 35 38.909 38.477 0.432 1
1 378 . 20 1 1 A 35 35 ASN C C 35 173.887 174.388 -0.501 1
1 379 . 20 1 1 A 36 36 ARG N N 36 117.698 116.623 1.075 1
1 380 . 20 1 1 A 36 36 ARG H H 36 7.596 7.818 -0.222 1
1 381 . 20 1 1 A 36 36 ARG CA C 36 56.824 57.122 -0.298 1
1 382 . 20 1 1 A 36 36 ARG HA H 36 3.850 3.874 -0.024 1
1 383 . 20 1 1 A 36 36 ARG CB C 36 26.161 27.139 -0.978 1
1 390 . 20 1 1 A 36 36 ARG C C 36 174.732 174.693 0.039 1
1 391 . 20 1 1 A 37 37 LYS N N 37 117.773 114.447 3.326 1
1 392 . 20 1 1 A 37 37 LYS H H 37 7.471 7.445 0.026 1
1 393 . 20 1 1 A 37 37 LYS CA C 37 54.528 54.710 -0.182 1
1 394 . 20 1 1 A 37 37 LYS HA H 37 4.795 5.017 -0.222 1
1 395 . 20 1 1 A 37 37 LYS CB C 37 36.493 36.480 0.013 1
1 404 . 20 1 1 A 37 37 LYS C C 37 174.870 174.658 0.212 1
1 405 . 20 1 1 A 38 38 THR N N 38 114.635 111.897 2.738 1
1 406 . 20 1 1 A 38 38 THR H H 38 8.322 8.676 -0.354 1
1 407 . 20 1 1 A 38 38 THR CA C 38 60.506 60.588 -0.082 1
1 408 . 20 1 1 A 38 38 THR HA H 38 5.390 5.287 0.103 1
1 409 . 20 1 1 A 38 38 THR CB C 38 71.424 71.305 0.119 1
1 415 . 20 1 1 A 38 38 THR C C 38 173.840 173.697 0.143 1
1 416 . 20 1 1 A 39 39 GLN N N 39 117.672 121.920 -4.248 1
1 417 . 20 1 1 A 39 39 GLN H H 39 9.335 8.957 0.378 1
1 418 . 20 1 1 A 39 39 GLN CA C 39 54.878 54.529 0.349 1
1 419 . 20 1 1 A 39 39 GLN HA H 39 4.899 5.104 -0.205 1
1 420 . 20 1 1 A 39 39 GLN CB C 39 32.186 32.330 -0.144 1
1 429 . 20 1 1 A 39 39 GLN C C 39 174.549 175.248 -0.699 1
1 430 . 20 1 1 A 40 40 TYR N N 40 119.391 120.872 -1.481 1
1 431 . 20 1 1 A 40 40 TYR H H 40 8.858 9.369 -0.511 1
1 432 . 20 1 1 A 40 40 TYR CA C 40 60.804 60.717 0.087 1
1 433 . 20 1 1 A 40 40 TYR HA H 40 4.752 4.325 0.427 1
1 434 . 20 1 1 A 40 40 TYR CB C 40 39.167 38.925 0.242 1
1 445 . 20 1 1 A 40 40 TYR C C 40 176.295 176.956 -0.661 1
1 446 . 20 1 1 A 41 41 GLU N N 41 119.491 118.357 1.134 1
1 447 . 20 1 1 A 41 41 GLU H H 41 8.079 7.975 0.104 1
1 448 . 20 1 1 A 41 41 GLU CA C 41 56.296 57.447 -1.151 1
1 449 . 20 1 1 A 41 41 GLU HA H 41 4.351 4.266 0.085 1
1 450 . 20 1 1 A 41 41 GLU CB C 41 30.517 30.470 0.047 1
1 456 . 20 1 1 A 41 41 GLU C C 41 175.460 176.112 -0.652 1
1 457 . 20 1 1 A 42 42 ASN N N 42 125.050 124.452 0.598 1
1 458 . 20 1 1 A 42 42 ASN H H 42 8.720 8.643 0.077 1
1 459 . 20 1 1 A 42 42 ASN CA C 42 51.186 50.913 0.273 1
1 460 . 20 1 1 A 42 42 ASN HA H 42 2.979 4.811 -1.832 1
1 461 . 20 1 1 A 42 42 ASN CB C 42 38.637 39.749 -1.112 1
1 467 . 20 1 1 A 42 42 ASN C C 42 174.950 175.366 -0.416 1
1 468 . 20 1 1 A 43 43 PRO CA C 43 63.681 65.180 -1.499 1
1 469 . 20 1 1 A 43 43 PRO HA H 43 3.869 4.144 -0.275 1
1 470 . 20 1 1 A 43 43 PRO CB C 43 31.408 30.998 0.410 1
1 479 . 20 1 1 A 43 43 PRO C C 43 178.273 178.662 -0.389 1
1 480 . 20 1 1 A 44 44 VAL N N 44 119.901 115.500 4.401 1
1 481 . 20 1 1 A 44 44 VAL H H 44 7.968 7.321 0.647 1
1 482 . 20 1 1 A 44 44 VAL CA C 44 64.744 65.798 -1.054 1
1 483 . 20 1 1 A 44 44 VAL HA H 44 3.646 3.535 0.111 1
1 484 . 20 1 1 A 44 44 VAL CB C 44 31.581 31.356 0.225 1
1 494 . 20 1 1 A 44 44 VAL C C 44 177.625 178.372 -0.747 1
1 495 . 20 1 1 A 45 45 LEU N N 45 120.711 119.742 0.969 1
1 496 . 20 1 1 A 45 45 LEU H H 45 7.076 7.937 -0.861 1
1 497 . 20 1 1 A 45 45 LEU CA C 45 56.822 58.228 -1.406 1
1 498 . 20 1 1 A 45 45 LEU HA H 45 3.994 3.804 0.190 1
1 499 . 20 1 1 A 45 45 LEU CB C 45 41.194 41.746 -0.552 1
1 512 . 20 1 1 A 45 45 LEU C C 45 179.099 178.872 0.227 1
1 513 . 20 1 1 A 46 46 GLU N N 46 120.581 118.313 2.268 1
1 514 . 20 1 1 A 46 46 GLU H H 46 8.001 7.970 0.031 1
1 515 . 20 1 1 A 46 46 GLU CA C 46 58.462 59.704 -1.242 1
1 516 . 20 1 1 A 46 46 GLU HA H 46 3.961 4.004 -0.043 1
1 517 . 20 1 1 A 46 46 GLU CB C 46 29.956 29.401 0.555 1
1 523 . 20 1 1 A 46 46 GLU C C 46 177.685 178.432 -0.747 1
1 524 . 20 1 1 A 47 47 ALA N N 47 121.265 121.114 0.151 1
1 525 . 20 1 1 A 47 47 ALA H H 47 7.625 8.105 -0.480 1
1 526 . 20 1 1 A 47 47 ALA CA C 47 54.438 55.067 -0.629 1
1 527 . 20 1 1 A 47 47 ALA HA H 47 4.082 4.103 -0.021 1
1 528 . 20 1 1 A 47 47 ALA CB C 47 18.192 18.676 -0.484 1
1 532 . 20 1 1 A 47 47 ALA C C 47 179.879 179.690 0.189 1
1 533 . 20 1 1 A 48 48 LYS N N 48 118.414 116.796 1.618 1
1 534 . 20 1 1 A 48 48 LYS H H 48 7.776 7.868 -0.092 1
1 535 . 20 1 1 A 48 48 LYS CA C 48 58.491 58.701 -0.210 1
1 536 . 20 1 1 A 48 48 LYS HA H 48 4.063 4.107 -0.044 1
1 537 . 20 1 1 A 48 48 LYS CB C 48 32.565 31.332 1.233 1
1 547 . 20 1 1 A 48 48 LYS C C 48 178.235 178.141 0.094 1
1 548 . 20 1 1 A 49 49 ARG N N 49 120.324 119.593 0.731 1
1 549 . 20 1 1 A 49 49 ARG H H 49 7.968 8.086 -0.118 1
1 550 . 20 1 1 A 49 49 ARG CA C 49 58.156 58.496 -0.340 1
1 551 . 20 1 1 A 49 49 ARG HA H 49 4.140 4.162 -0.022 1
1 552 . 20 1 1 A 49 49 ARG CB C 49 30.349 30.364 -0.015 1
1 561 . 20 1 1 A 49 49 ARG C C 49 177.985 178.047 -0.062 1
1 562 . 20 1 1 A 50 50 LYS N N 50 120.001 117.939 2.062 1
1 563 . 20 1 1 A 50 50 LYS H H 50 8.051 8.389 -0.338 1
1 564 . 20 1 1 A 50 50 LYS CA C 50 58.185 58.463 -0.278 1
1 565 . 20 1 1 A 50 50 LYS HA H 50 4.099 4.199 -0.100 1
1 566 . 20 1 1 A 50 50 LYS CB C 50 32.645 32.802 -0.157 1
1 575 . 20 1 1 A 50 50 LYS C C 50 177.791 178.845 -1.054 1
1 576 . 20 1 1 A 51 51 LYS N N 51 120.458 120.000 0.458 1
1 577 . 20 1 1 A 51 51 LYS H H 51 7.915 8.266 -0.351 1
1 578 . 20 1 1 A 51 51 LYS CA C 51 57.452 58.993 -1.541 1
1 579 . 20 1 1 A 51 51 LYS HA H 51 4.189 4.287 -0.098 1
1 580 . 20 1 1 A 51 51 LYS CB C 51 32.620 32.290 0.330 1
1 590 . 20 1 1 A 51 51 LYS C C 51 177.670 179.281 -1.611 1
1 591 . 20 1 1 A 52 52 GLN N N 52 119.883 118.668 1.215 1
1 592 . 20 1 1 A 52 52 GLN H H 52 8.060 8.146 -0.086 1
1 593 . 20 1 1 A 52 52 GLN CA C 52 56.866 58.359 -1.493 1
1 594 . 20 1 1 A 52 52 GLN HA H 52 4.213 4.079 0.134 1
1 595 . 20 1 1 A 52 52 GLN CB C 52 28.969 28.576 0.393 1
1 604 . 20 1 1 A 52 52 GLN C C 52 176.851 177.639 -0.788 1
1 605 . 20 1 1 A 53 53 LEU N N 53 121.489 118.189 3.300 1
1 606 . 20 1 1 A 53 53 LEU H H 53 8.027 7.861 0.166 1
1 607 . 20 1 1 A 53 53 LEU CA C 53 55.826 54.476 1.350 1
1 608 . 20 1 1 A 53 53 LEU HA H 53 4.288 4.383 -0.095 1
1 609 . 20 1 1 A 53 53 LEU CB C 53 42.379 41.924 0.455 1
1 622 . 20 1 1 A 53 53 LEU C C 53 177.973 176.032 1.941 1
1 623 . 20 1 1 A 54 54 GLU N N 54 120.395 117.788 2.607 1
1 624 . 20 1 1 A 54 54 GLU H H 54 8.141 8.026 0.115 1
1 625 . 20 1 1 A 54 54 GLU CA C 54 56.906 57.323 -0.417 1
1 626 . 20 1 1 A 54 54 GLU HA H 54 4.291 3.984 0.307 1
1 627 . 20 1 1 A 54 54 GLU CB C 54 30.228 28.438 1.790 1
1 633 . 20 1 1 A 54 54 GLU C C 54 176.762 174.971 1.791 1
1 634 . 20 1 1 A 55 55 SER N N 55 115.834 110.399 5.435 1
1 635 . 20 1 1 A 55 55 SER H H 55 8.178 7.607 0.571 1
1 636 . 20 1 1 A 55 55 SER CA C 55 58.606 56.434 2.172 1
1 637 . 20 1 1 A 55 55 SER HA H 55 4.492 5.077 -0.585 1
1 638 . 20 1 1 A 55 55 SER CB C 55 63.869 66.275 -2.406 1
1 641 . 20 1 1 A 55 55 SER C C 55 174.614 173.275 1.339 1
1 642 . 20 1 1 A 56 56 GLY N N 56 110.601 108.102 2.499 1
1 643 . 20 1 1 A 56 56 GLY H H 56 8.163 8.313 -0.150 1
1 644 . 20 1 1 A 56 56 GLY CA C 56 44.731 44.062 0.669 1
1 645 . 20 1 1 A 56 56 GLY HA2 H 56 4.098 4.114 -0.016 1
1 646 . 20 1 1 A 56 56 GLY HA3 H 56 4.167 4.115 0.052 1
1 647 . 20 1 1 A 56 56 GLY C C 56 171.805 174.151 -2.346 1
1 648 . 20 1 1 A 57 57 PRO CA C 57 63.271 64.239 -0.968 1
1 649 . 20 1 1 A 57 57 PRO HA H 57 4.475 4.491 -0.016 1
1 650 . 20 1 1 A 57 57 PRO CB C 57 32.133 32.021 0.112 1
1 659 . 20 1 1 A 57 57 PRO C C 57 177.422 176.455 0.967 1
1 660 . 20 1 1 A 58 58 SER N N 58 116.422 115.210 1.212 1
1 661 . 20 1 1 A 58 58 SER H H 58 8.524 7.829 0.695 1
1 662 . 20 1 1 A 58 58 SER CA C 58 58.457 58.325 0.132 1
1 663 . 20 1 1 A 58 58 SER HA H 58 4.494 4.318 0.176 1
1 664 . 20 1 1 A 58 58 SER CB C 58 63.945 64.158 -0.213 1
1 667 . 20 1 1 A 58 58 SER C C 58 174.720 175.489 -0.769 1
1 668 . 20 1 1 A 59 59 SER N N 59 117.951 122.152 -4.201 1
1 669 . 20 1 1 A 59 59 SER H H 59 8.342 8.609 -0.267 1
1 670 . 20 1 1 A 59 59 SER CA C 59 58.327 60.027 -1.700 1
1 671 . 20 1 1 A 59 59 SER HA H 59 4.491 4.249 0.242 1
1 672 . 20 1 1 A 59 59 SER CB C 59 63.965 63.812 0.153 1
1 675 . 20 1 1 A 59 59 SER C C 59 173.967 174.575 -0.608 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 55 0.913 1
2 1 1 1 "RMS(OBS, PRED)" CA 55 1.254 1
3 1 1 1 "RMS(OBS, PRED)" CB 51 1.408 1
4 1 1 1 "RMS(OBS, PRED)" H 49 0.413 1
5 1 1 1 "RMS(OBS, PRED)" HA 58 0.395 1
6 1 1 1 "RMS(OBS, PRED)" N 51 3.099 1
7 1 2 1 "RMS(OBS, PRED)" C 55 1.060 1
8 1 2 1 "RMS(OBS, PRED)" CA 55 1.267 1
9 1 2 1 "RMS(OBS, PRED)" CB 51 1.527 1
10 1 2 1 "RMS(OBS, PRED)" H 49 0.451 1
11 1 2 1 "RMS(OBS, PRED)" HA 58 0.407 1
12 1 2 1 "RMS(OBS, PRED)" N 51 3.027 1
13 1 3 1 "RMS(OBS, PRED)" C 55 1.158 1
14 1 3 1 "RMS(OBS, PRED)" CA 55 1.293 1
15 1 3 1 "RMS(OBS, PRED)" CB 51 1.683 1
16 1 3 1 "RMS(OBS, PRED)" H 49 0.403 1
17 1 3 1 "RMS(OBS, PRED)" HA 58 0.428 1
18 1 3 1 "RMS(OBS, PRED)" N 51 3.090 1
19 1 4 1 "RMS(OBS, PRED)" C 55 0.962 1
20 1 4 1 "RMS(OBS, PRED)" CA 55 1.294 1
21 1 4 1 "RMS(OBS, PRED)" CB 51 1.378 1
22 1 4 1 "RMS(OBS, PRED)" H 49 0.406 1
23 1 4 1 "RMS(OBS, PRED)" HA 58 0.408 1
24 1 4 1 "RMS(OBS, PRED)" N 51 2.947 1
25 1 5 1 "RMS(OBS, PRED)" C 55 1.092 1
26 1 5 1 "RMS(OBS, PRED)" CA 55 1.218 1
27 1 5 1 "RMS(OBS, PRED)" CB 51 1.657 1
28 1 5 1 "RMS(OBS, PRED)" H 49 0.417 1
29 1 5 1 "RMS(OBS, PRED)" HA 58 0.431 1
30 1 5 1 "RMS(OBS, PRED)" N 51 3.276 1
31 1 6 1 "RMS(OBS, PRED)" C 55 1.125 1
32 1 6 1 "RMS(OBS, PRED)" CA 55 1.228 1
33 1 6 1 "RMS(OBS, PRED)" CB 51 1.619 1
34 1 6 1 "RMS(OBS, PRED)" H 49 0.419 1
35 1 6 1 "RMS(OBS, PRED)" HA 58 0.436 1
36 1 6 1 "RMS(OBS, PRED)" N 51 3.087 1
37 1 7 1 "RMS(OBS, PRED)" C 55 1.142 1
38 1 7 1 "RMS(OBS, PRED)" CA 55 1.256 1
39 1 7 1 "RMS(OBS, PRED)" CB 51 1.617 1
40 1 7 1 "RMS(OBS, PRED)" H 49 0.403 1
41 1 7 1 "RMS(OBS, PRED)" HA 58 0.467 1
42 1 7 1 "RMS(OBS, PRED)" N 51 2.930 1
43 1 8 1 "RMS(OBS, PRED)" C 55 1.106 1
44 1 8 1 "RMS(OBS, PRED)" CA 55 1.268 1
45 1 8 1 "RMS(OBS, PRED)" CB 51 1.591 1
46 1 8 1 "RMS(OBS, PRED)" H 49 0.456 1
47 1 8 1 "RMS(OBS, PRED)" HA 58 0.401 1
48 1 8 1 "RMS(OBS, PRED)" N 51 3.098 1
49 1 9 1 "RMS(OBS, PRED)" C 55 0.970 1
50 1 9 1 "RMS(OBS, PRED)" CA 55 1.211 1
51 1 9 1 "RMS(OBS, PRED)" CB 51 1.413 1
52 1 9 1 "RMS(OBS, PRED)" H 49 0.463 1
53 1 9 1 "RMS(OBS, PRED)" HA 58 0.369 1
54 1 9 1 "RMS(OBS, PRED)" N 51 3.164 1
55 1 10 1 "RMS(OBS, PRED)" C 55 0.996 1
56 1 10 1 "RMS(OBS, PRED)" CA 55 1.341 1
57 1 10 1 "RMS(OBS, PRED)" CB 51 1.444 1
58 1 10 1 "RMS(OBS, PRED)" H 49 0.428 1
59 1 10 1 "RMS(OBS, PRED)" HA 58 0.409 1
60 1 10 1 "RMS(OBS, PRED)" N 51 2.960 1
61 1 11 1 "RMS(OBS, PRED)" C 55 1.004 1
62 1 11 1 "RMS(OBS, PRED)" CA 55 1.236 1
63 1 11 1 "RMS(OBS, PRED)" CB 51 1.552 1
64 1 11 1 "RMS(OBS, PRED)" H 49 0.421 1
65 1 11 1 "RMS(OBS, PRED)" HA 58 0.406 1
66 1 11 1 "RMS(OBS, PRED)" N 51 3.203 1
67 1 12 1 "RMS(OBS, PRED)" C 55 1.128 1
68 1 12 1 "RMS(OBS, PRED)" CA 55 1.231 1
69 1 12 1 "RMS(OBS, PRED)" CB 51 1.561 1
70 1 12 1 "RMS(OBS, PRED)" H 49 0.435 1
71 1 12 1 "RMS(OBS, PRED)" HA 58 0.454 1
72 1 12 1 "RMS(OBS, PRED)" N 51 2.984 1
73 1 13 1 "RMS(OBS, PRED)" C 55 0.909 1
74 1 13 1 "RMS(OBS, PRED)" CA 55 1.268 1
75 1 13 1 "RMS(OBS, PRED)" CB 51 1.323 1
76 1 13 1 "RMS(OBS, PRED)" H 49 0.461 1
77 1 13 1 "RMS(OBS, PRED)" HA 58 0.352 1
78 1 13 1 "RMS(OBS, PRED)" N 51 3.008 1
79 1 14 1 "RMS(OBS, PRED)" C 55 1.017 1
80 1 14 1 "RMS(OBS, PRED)" CA 55 1.344 1
81 1 14 1 "RMS(OBS, PRED)" CB 51 1.515 1
82 1 14 1 "RMS(OBS, PRED)" H 49 0.451 1
83 1 14 1 "RMS(OBS, PRED)" HA 58 0.413 1
84 1 14 1 "RMS(OBS, PRED)" N 51 2.877 1
85 1 15 1 "RMS(OBS, PRED)" C 55 0.885 1
86 1 15 1 "RMS(OBS, PRED)" CA 55 1.294 1
87 1 15 1 "RMS(OBS, PRED)" CB 51 1.315 1
88 1 15 1 "RMS(OBS, PRED)" H 49 0.414 1
89 1 15 1 "RMS(OBS, PRED)" HA 58 0.409 1
90 1 15 1 "RMS(OBS, PRED)" N 51 3.022 1
91 1 16 1 "RMS(OBS, PRED)" C 55 1.008 1
92 1 16 1 "RMS(OBS, PRED)" CA 55 1.329 1
93 1 16 1 "RMS(OBS, PRED)" CB 51 1.517 1
94 1 16 1 "RMS(OBS, PRED)" H 49 0.441 1
95 1 16 1 "RMS(OBS, PRED)" HA 58 0.423 1
96 1 16 1 "RMS(OBS, PRED)" N 51 2.966 1
97 1 17 1 "RMS(OBS, PRED)" C 55 1.010 1
98 1 17 1 "RMS(OBS, PRED)" CA 55 1.339 1
99 1 17 1 "RMS(OBS, PRED)" CB 51 1.443 1
100 1 17 1 "RMS(OBS, PRED)" H 49 0.433 1
101 1 17 1 "RMS(OBS, PRED)" HA 58 0.427 1
102 1 17 1 "RMS(OBS, PRED)" N 51 3.098 1
103 1 18 1 "RMS(OBS, PRED)" C 55 1.003 1
104 1 18 1 "RMS(OBS, PRED)" CA 55 1.265 1
105 1 18 1 "RMS(OBS, PRED)" CB 51 1.529 1
106 1 18 1 "RMS(OBS, PRED)" H 49 0.439 1
107 1 18 1 "RMS(OBS, PRED)" HA 58 0.436 1
108 1 18 1 "RMS(OBS, PRED)" N 51 3.090 1
109 1 19 1 "RMS(OBS, PRED)" C 55 0.916 1
110 1 19 1 "RMS(OBS, PRED)" CA 55 1.154 1
111 1 19 1 "RMS(OBS, PRED)" CB 51 1.450 1
112 1 19 1 "RMS(OBS, PRED)" H 49 0.391 1
113 1 19 1 "RMS(OBS, PRED)" HA 58 0.426 1
114 1 19 1 "RMS(OBS, PRED)" N 51 3.043 1
115 1 20 1 "RMS(OBS, PRED)" C 55 0.993 1
116 1 20 1 "RMS(OBS, PRED)" CA 55 1.220 1
117 1 20 1 "RMS(OBS, PRED)" CB 51 1.366 1
118 1 20 1 "RMS(OBS, PRED)" H 49 0.402 1
119 1 20 1 "RMS(OBS, PRED)" HA 58 0.389 1
120 1 20 1 "RMS(OBS, PRED)" N 51 3.031 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 5 5 SER N N 5 115.829 116.863 -1.034 2
1 2 . 1 1 A 5 5 SER CA C 5 58.317 58.844 -0.527 2
1 3 . 1 1 A 5 5 SER CB C 5 63.703 64.128 -0.425 2
1 4 . 1 1 A 5 5 SER C C 5 174.849 174.039 0.810 2
1 5 . 1 1 A 6 6 SER N N 6 117.994 117.855 0.139 2
1 6 . 1 1 A 6 6 SER CA C 6 58.677 58.699 -0.022 2
1 7 . 1 1 A 6 6 SER HA H 6 4.501 4.609 -0.108 2
1 8 . 1 1 A 6 6 SER CB C 6 63.732 63.748 -0.015 2
1 10 . 1 1 A 6 6 SER C C 6 175.043 174.331 0.712 2
1 11 . 1 1 A 7 7 GLY N N 7 110.716 111.197 -0.481 2
1 12 . 1 1 A 7 7 GLY H H 7 8.429 8.382 0.047 2
1 13 . 1 1 A 7 7 GLY CA C 7 45.403 45.530 -0.127 2
1 14 . 1 1 A 7 7 GLY HA2 H 7 3.976 4.088 -0.112 2
1 15 . 1 1 A 7 7 GLY HA3 H 7 3.976 4.098 -0.122 2
1 16 . 1 1 A 7 7 GLY C C 7 174.231 173.900 0.331 2
1 17 . 1 1 A 8 8 LEU N N 8 121.547 120.208 1.339 2
1 18 . 1 1 A 8 8 LEU H H 8 8.132 8.393 -0.261 2
1 19 . 1 1 A 8 8 LEU CA C 8 55.233 54.304 0.929 2
1 20 . 1 1 A 8 8 LEU HA H 8 4.356 4.686 -0.330 2
1 21 . 1 1 A 8 8 LEU CB C 8 42.416 43.285 -0.869 2
1 31 . 1 1 A 8 8 LEU C C 8 177.479 175.903 1.576 2
1 32 . 1 1 A 9 9 ASP N N 9 120.983 119.800 1.183 2
1 33 . 1 1 A 9 9 ASP H H 9 8.413 8.237 0.176 2
1 34 . 1 1 A 9 9 ASP CA C 9 54.826 53.330 1.496 2
1 35 . 1 1 A 9 9 ASP HA H 9 4.555 5.160 -0.605 2
1 36 . 1 1 A 9 9 ASP CB C 9 40.967 43.858 -2.891 2
1 39 . 1 1 A 9 9 ASP C C 9 176.609 175.124 1.485 2
1 40 . 1 1 A 10 10 SER N N 10 115.538 114.364 1.174 2
1 41 . 1 1 A 10 10 SER H H 10 8.146 8.579 -0.433 2
1 42 . 1 1 A 10 10 SER CA C 10 58.926 56.728 2.198 2
1 43 . 1 1 A 10 10 SER HA H 10 4.361 4.988 -0.627 2
1 44 . 1 1 A 10 10 SER CB C 10 63.924 66.155 -2.231 2
1 47 . 1 1 A 10 10 SER C C 10 174.922 175.091 -0.169 2
1 48 . 1 1 A 11 11 GLU N N 11 122.324 120.869 1.455 2
1 49 . 1 1 A 11 11 GLU H H 11 8.416 9.090 -0.674 2
1 50 . 1 1 A 11 11 GLU CA C 11 56.763 59.013 -2.250 2
1 51 . 1 1 A 11 11 GLU HA H 11 4.262 3.707 0.555 2
1 52 . 1 1 A 11 11 GLU CB C 11 29.860 29.238 0.622 2
1 58 . 1 1 A 11 11 GLU C C 11 176.347 176.782 -0.435 2
1 59 . 1 1 A 12 12 LEU N N 12 121.580 117.005 4.575 2
1 60 . 1 1 A 12 12 LEU H H 12 7.957 7.992 -0.035 2
1 61 . 1 1 A 12 12 LEU CA C 12 54.921 56.299 -1.378 2
1 62 . 1 1 A 12 12 LEU HA H 12 4.311 3.878 0.433 2
1 63 . 1 1 A 12 12 LEU CB C 12 42.313 40.488 1.825 2
1 76 . 1 1 A 12 12 LEU C C 12 176.945 175.959 0.986 2
1 77 . 1 1 A 13 13 GLU N N 13 122.146 110.033 12.113 2
1 78 . 1 1 A 13 13 GLU H H 13 8.088 8.447 -0.359 2
1 79 . 1 1 A 13 13 GLU CA C 13 56.222 57.115 -0.893 2
1 80 . 1 1 A 13 13 GLU HA H 13 4.236 3.803 0.433 2
1 81 . 1 1 A 13 13 GLU CB C 13 30.332 27.483 2.849 2
1 86 . 1 1 A 13 13 GLU C C 13 175.667 175.869 -0.202 2
1 87 . 1 1 A 14 14 LEU N N 14 123.302 120.314 2.988 2
1 88 . 1 1 A 14 14 LEU H H 14 8.331 7.809 0.522 2
1 89 . 1 1 A 14 14 LEU CA C 14 52.689 53.739 -1.050 2
1 90 . 1 1 A 14 14 LEU HA H 14 4.376 4.073 0.303 2
1 91 . 1 1 A 14 14 LEU CB C 14 41.859 41.350 0.509 2
1 104 . 1 1 A 14 14 LEU C C 14 174.694 177.297 -2.603 2
1 105 . 1 1 A 15 15 PRO CA C 15 61.808 65.898 -4.090 2
1 106 . 1 1 A 15 15 PRO HA H 15 4.509 4.422 0.087 2
1 107 . 1 1 A 15 15 PRO CB C 15 31.501 31.540 -0.039 2
1 116 . 1 1 A 15 15 PRO C C 15 175.733 176.508 -0.776 2
1 117 . 1 1 A 16 16 ALA N N 16 123.226 117.056 6.170 2
1 118 . 1 1 A 16 16 ALA H H 16 8.427 8.063 0.363 2
1 119 . 1 1 A 16 16 ALA CA C 16 53.836 51.489 2.347 2
1 120 . 1 1 A 16 16 ALA HA H 16 4.235 4.793 -0.558 2
1 121 . 1 1 A 16 16 ALA CB C 16 18.391 22.770 -4.379 2
1 125 . 1 1 A 16 16 ALA C C 16 178.641 177.094 1.547 2
1 126 . 1 1 A 17 17 GLY N N 17 110.263 109.947 0.316 2
1 127 . 1 1 A 17 17 GLY H H 17 8.816 8.750 0.066 2
1 128 . 1 1 A 17 17 GLY CA C 17 45.465 46.063 -0.598 2
1 129 . 1 1 A 17 17 GLY HA2 H 17 3.759 3.757 0.002 2
1 130 . 1 1 A 17 17 GLY HA3 H 17 4.261 3.881 0.380 2
1 131 . 1 1 A 17 17 GLY C C 17 173.251 173.603 -0.352 2
1 132 . 1 1 A 18 18 TRP N N 18 118.263 119.316 -1.053 2
1 133 . 1 1 A 18 18 TRP H H 18 7.782 7.937 -0.155 2
1 134 . 1 1 A 18 18 TRP CA C 18 56.679 55.985 0.694 2
1 135 . 1 1 A 18 18 TRP HA H 18 5.840 5.169 0.671 2
1 136 . 1 1 A 18 18 TRP CB C 18 32.215 32.911 -0.697 2
1 151 . 1 1 A 18 18 TRP C C 18 177.038 174.946 2.092 2
1 152 . 1 1 A 19 19 GLU N N 19 122.023 123.539 -1.516 2
1 153 . 1 1 A 19 19 GLU H H 19 9.480 8.727 0.753 2
1 154 . 1 1 A 19 19 GLU CA C 19 55.126 55.207 -0.081 2
1 155 . 1 1 A 19 19 GLU HA H 19 4.679 5.051 -0.372 2
1 156 . 1 1 A 19 19 GLU CB C 19 34.865 33.457 1.408 2
1 162 . 1 1 A 19 19 GLU C C 19 173.752 175.037 -1.285 2
1 163 . 1 1 A 20 20 LYS N N 20 127.008 127.841 -0.833 2
1 164 . 1 1 A 20 20 LYS H H 20 8.848 8.640 0.208 2
1 165 . 1 1 A 20 20 LYS CA C 20 55.531 56.512 -0.981 2
1 166 . 1 1 A 20 20 LYS HA H 20 4.379 4.756 -0.377 2
1 167 . 1 1 A 20 20 LYS CB C 20 33.946 33.007 0.939 2
1 178 . 1 1 A 20 20 LYS C C 20 174.530 174.969 -0.439 2
1 179 . 1 1 A 21 21 ILE N N 21 130.740 129.372 1.368 2
1 180 . 1 1 A 21 21 ILE H H 21 8.894 9.061 -0.167 2
1 181 . 1 1 A 21 21 ILE CA C 21 58.996 60.030 -1.034 2
1 182 . 1 1 A 21 21 ILE HA H 21 4.035 4.450 -0.415 2
1 183 . 1 1 A 21 21 ILE CB C 21 38.249 38.646 -0.397 2
1 196 . 1 1 A 21 21 ILE C C 21 173.612 174.456 -0.844 2
1 197 . 1 1 A 22 22 GLU N N 22 124.546 127.507 -2.961 2
1 198 . 1 1 A 22 22 GLU H H 22 8.273 8.827 -0.554 2
1 199 . 1 1 A 22 22 GLU CA C 22 54.652 55.287 -0.635 2
1 200 . 1 1 A 22 22 GLU HA H 22 4.429 4.699 -0.270 2
1 201 . 1 1 A 22 22 GLU CB C 22 29.876 30.955 -1.079 2
1 207 . 1 1 A 22 22 GLU C C 22 174.548 175.244 -0.696 2
1 208 . 1 1 A 23 23 ASP N N 23 128.325 126.083 2.242 2
1 209 . 1 1 A 23 23 ASP H H 23 8.368 8.794 -0.426 2
1 210 . 1 1 A 23 23 ASP CA C 23 51.555 50.541 1.014 2
1 211 . 1 1 A 23 23 ASP HA H 23 5.093 5.204 -0.111 2
1 212 . 1 1 A 23 23 ASP CB C 23 45.902 42.568 3.334 2
1 215 . 1 1 A 23 23 ASP C C 23 175.729 176.154 -0.425 2
1 216 . 1 1 A 24 24 PRO CA C 24 64.824 64.879 -0.055 2
1 217 . 1 1 A 24 24 PRO HA H 24 4.356 4.453 -0.097 2
1 218 . 1 1 A 24 24 PRO CB C 24 32.297 32.216 0.081 2
1 227 . 1 1 A 24 24 PRO C C 24 176.540 177.712 -1.172 2
1 228 . 1 1 A 25 25 VAL N N 25 118.640 116.155 2.485 2
1 229 . 1 1 A 25 25 VAL H H 25 8.485 7.811 0.674 2
1 230 . 1 1 A 25 25 VAL CA C 25 64.125 64.146 -0.021 2
1 231 . 1 1 A 25 25 VAL HA H 25 3.856 3.939 -0.083 2
1 232 . 1 1 A 25 25 VAL CB C 25 33.098 32.497 0.601 2
1 242 . 1 1 A 25 25 VAL C C 25 177.626 177.363 0.263 2
1 243 . 1 1 A 26 26 TYR N N 26 117.602 117.149 0.453 2
1 244 . 1 1 A 26 26 TYR H H 26 8.632 8.317 0.315 2
1 245 . 1 1 A 26 26 TYR CA C 26 59.189 59.546 -0.357 2
1 246 . 1 1 A 26 26 TYR HA H 26 4.469 4.501 -0.032 2
1 247 . 1 1 A 26 26 TYR CB C 26 39.193 38.853 0.340 2
1 258 . 1 1 A 26 26 TYR C C 26 176.124 176.580 -0.456 2
1 259 . 1 1 A 27 27 GLY N N 27 110.042 106.603 3.438 2
1 260 . 1 1 A 27 27 GLY H H 27 8.181 7.946 0.235 2
1 261 . 1 1 A 27 27 GLY CA C 27 44.979 44.596 0.383 2
1 262 . 1 1 A 27 27 GLY HA2 H 27 3.890 4.136 -0.246 2
1 263 . 1 1 A 27 27 GLY HA3 H 27 4.390 4.166 0.224 2
1 264 . 1 1 A 27 27 GLY C C 27 173.043 173.351 -0.308 2
1 265 . 1 1 A 28 28 ILE N N 28 121.278 121.289 -0.011 2
1 266 . 1 1 A 28 28 ILE H H 28 8.259 8.265 -0.006 2
1 267 . 1 1 A 28 28 ILE CA C 28 60.867 61.144 -0.277 2
1 268 . 1 1 A 28 28 ILE HA H 28 4.900 4.796 0.104 2
1 269 . 1 1 A 28 28 ILE CB C 28 38.763 38.003 0.760 2
1 282 . 1 1 A 28 28 ILE C C 28 176.805 175.050 1.755 2
1 283 . 1 1 A 29 29 TYR N N 29 124.534 123.955 0.579 2
1 284 . 1 1 A 29 29 TYR H H 29 8.822 8.700 0.122 2
1 285 . 1 1 A 29 29 TYR CA C 29 56.332 55.372 0.960 2
1 286 . 1 1 A 29 29 TYR HA H 29 4.712 5.052 -0.340 2
1 287 . 1 1 A 29 29 TYR CB C 29 38.879 41.707 -2.828 2
1 298 . 1 1 A 29 29 TYR C C 29 170.710 172.062 -1.352 2
1 299 . 1 1 A 30 30 TYR N N 30 116.432 120.443 -4.011 2
1 300 . 1 1 A 30 30 TYR H H 30 8.981 8.745 0.236 2
1 301 . 1 1 A 30 30 TYR CA C 30 56.921 57.528 -0.607 2
1 302 . 1 1 A 30 30 TYR HA H 30 5.417 5.621 -0.204 2
1 303 . 1 1 A 30 30 TYR CB C 30 41.603 40.311 1.292 2
1 314 . 1 1 A 30 30 TYR C C 30 174.825 175.059 -0.234 2
1 315 . 1 1 A 31 31 VAL N N 31 121.385 123.860 -2.475 2
1 316 . 1 1 A 31 31 VAL H H 31 9.266 9.114 0.152 2
1 317 . 1 1 A 31 31 VAL CA C 31 60.346 59.728 0.618 2
1 318 . 1 1 A 31 31 VAL HA H 31 4.610 4.915 -0.305 2
1 319 . 1 1 A 31 31 VAL CB C 31 35.393 34.212 1.181 2
1 329 . 1 1 A 31 31 VAL C C 31 173.103 173.530 -0.427 2
1 330 . 1 1 A 32 32 ASP N N 32 126.129 127.506 -1.377 2
1 331 . 1 1 A 32 32 ASP H H 32 8.340 8.835 -0.495 2
1 332 . 1 1 A 32 32 ASP CA C 32 51.134 53.073 -1.939 2
1 333 . 1 1 A 32 32 ASP HA H 32 3.702 4.825 -1.123 2
1 334 . 1 1 A 32 32 ASP CB C 32 39.252 41.180 -1.928 2
1 337 . 1 1 A 32 32 ASP C C 32 177.731 176.133 1.598 2
1 338 . 1 1 A 33 33 HIS N N 33 121.984 122.264 -0.280 2
1 339 . 1 1 A 33 33 HIS H H 33 8.728 8.236 0.492 2
1 340 . 1 1 A 33 33 HIS CA C 33 58.404 56.944 1.460 2
1 341 . 1 1 A 33 33 HIS HA H 33 4.218 4.536 -0.318 2
1 342 . 1 1 A 33 33 HIS CB C 33 30.594 29.127 1.467 2
1 349 . 1 1 A 33 33 HIS C C 33 176.844 175.722 1.122 2
1 350 . 1 1 A 34 34 ILE N N 34 120.023 117.618 2.405 2
1 351 . 1 1 A 34 34 ILE H H 34 8.090 7.527 0.563 2
1 352 . 1 1 A 34 34 ILE CA C 34 63.382 62.409 0.973 2
1 353 . 1 1 A 34 34 ILE HA H 34 3.845 4.046 -0.201 2
1 354 . 1 1 A 34 34 ILE CB C 34 37.023 39.684 -2.661 2
1 367 . 1 1 A 34 34 ILE C C 34 177.464 177.283 0.181 2
1 368 . 1 1 A 35 35 ASN N N 35 115.543 117.532 -1.989 2
1 369 . 1 1 A 35 35 ASN H H 35 7.620 7.801 -0.181 2
1 370 . 1 1 A 35 35 ASN CA C 35 53.139 52.885 0.254 2
1 371 . 1 1 A 35 35 ASN HA H 35 4.587 4.759 -0.172 2
1 372 . 1 1 A 35 35 ASN CB C 35 38.909 38.770 0.139 2
1 378 . 1 1 A 35 35 ASN C C 35 173.887 174.343 -0.456 2
1 379 . 1 1 A 36 36 ARG N N 36 117.698 116.448 1.250 2
1 380 . 1 1 A 36 36 ARG H H 36 7.596 7.701 -0.105 2
1 381 . 1 1 A 36 36 ARG CA C 36 56.824 57.056 -0.232 2
1 382 . 1 1 A 36 36 ARG HA H 36 3.850 3.882 -0.032 2
1 383 . 1 1 A 36 36 ARG CB C 36 26.161 27.389 -1.228 2
1 390 . 1 1 A 36 36 ARG C C 36 174.732 174.606 0.126 2
1 391 . 1 1 A 37 37 LYS N N 37 117.773 115.038 2.735 2
1 392 . 1 1 A 37 37 LYS H H 37 7.471 7.391 0.080 2
1 393 . 1 1 A 37 37 LYS CA C 37 54.528 54.727 -0.199 2
1 394 . 1 1 A 37 37 LYS HA H 37 4.795 4.962 -0.167 2
1 395 . 1 1 A 37 37 LYS CB C 37 36.493 36.153 0.340 2
1 404 . 1 1 A 37 37 LYS C C 37 174.870 174.869 0.001 2
1 405 . 1 1 A 38 38 THR N N 38 114.635 111.959 2.676 2
1 406 . 1 1 A 38 38 THR H H 38 8.322 8.662 -0.340 2
1 407 . 1 1 A 38 38 THR CA C 38 60.506 60.309 0.197 2
1 408 . 1 1 A 38 38 THR HA H 38 5.390 5.378 0.012 2
1 409 . 1 1 A 38 38 THR CB C 38 71.424 71.691 -0.267 2
1 415 . 1 1 A 38 38 THR C C 38 173.840 173.519 0.321 2
1 416 . 1 1 A 39 39 GLN N N 39 117.672 121.410 -3.738 2
1 417 . 1 1 A 39 39 GLN H H 39 9.335 8.659 0.676 2
1 418 . 1 1 A 39 39 GLN CA C 39 54.878 54.320 0.558 2
1 419 . 1 1 A 39 39 GLN HA H 39 4.899 5.012 -0.113 2
1 420 . 1 1 A 39 39 GLN CB C 39 32.186 31.967 0.219 2
1 429 . 1 1 A 39 39 GLN C C 39 174.549 175.111 -0.562 2
1 430 . 1 1 A 40 40 TYR N N 40 119.391 119.717 -0.326 2
1 431 . 1 1 A 40 40 TYR H H 40 8.858 8.992 -0.134 2
1 432 . 1 1 A 40 40 TYR CA C 40 60.804 60.259 0.545 2
1 433 . 1 1 A 40 40 TYR HA H 40 4.752 4.506 0.246 2
1 434 . 1 1 A 40 40 TYR CB C 40 39.167 39.434 -0.267 2
1 445 . 1 1 A 40 40 TYR C C 40 176.295 176.643 -0.348 2
1 446 . 1 1 A 41 41 GLU N N 41 119.491 118.347 1.144 2
1 447 . 1 1 A 41 41 GLU H H 41 8.079 8.010 0.069 2
1 448 . 1 1 A 41 41 GLU CA C 41 56.296 57.165 -0.869 2
1 449 . 1 1 A 41 41 GLU HA H 41 4.351 4.282 0.069 2
1 450 . 1 1 A 41 41 GLU CB C 41 30.517 30.141 0.376 2
1 456 . 1 1 A 41 41 GLU C C 41 175.460 176.370 -0.910 2
1 457 . 1 1 A 42 42 ASN N N 42 125.050 125.094 -0.043 2
1 458 . 1 1 A 42 42 ASN H H 42 8.720 8.769 -0.049 2
1 459 . 1 1 A 42 42 ASN CA C 42 51.186 51.150 0.036 2
1 460 . 1 1 A 42 42 ASN HA H 42 2.979 4.792 -1.813 2
1 461 . 1 1 A 42 42 ASN CB C 42 38.637 39.367 -0.730 2
1 467 . 1 1 A 42 42 ASN C C 42 174.950 175.516 -0.566 2
1 468 . 1 1 A 43 43 PRO CA C 43 63.681 65.154 -1.473 2
1 469 . 1 1 A 43 43 PRO HA H 43 3.869 4.156 -0.287 2
1 470 . 1 1 A 43 43 PRO CB C 43 31.408 31.048 0.360 2
1 479 . 1 1 A 43 43 PRO C C 43 178.273 178.595 -0.322 2
1 480 . 1 1 A 44 44 VAL N N 44 119.901 115.579 4.322 2
1 481 . 1 1 A 44 44 VAL H H 44 7.968 7.235 0.733 2
1 482 . 1 1 A 44 44 VAL CA C 44 64.744 65.612 -0.868 2
1 483 . 1 1 A 44 44 VAL HA H 44 3.646 3.572 0.074 2
1 484 . 1 1 A 44 44 VAL CB C 44 31.581 31.346 0.235 2
1 494 . 1 1 A 44 44 VAL C C 44 177.625 178.202 -0.577 2
1 495 . 1 1 A 45 45 LEU N N 45 120.711 119.560 1.151 2
1 496 . 1 1 A 45 45 LEU H H 45 7.076 7.963 -0.888 2
1 497 . 1 1 A 45 45 LEU CA C 45 56.822 58.163 -1.341 2
1 498 . 1 1 A 45 45 LEU HA H 45 3.994 3.866 0.128 2
1 499 . 1 1 A 45 45 LEU CB C 45 41.194 41.324 -0.130 2
1 512 . 1 1 A 45 45 LEU C C 45 179.099 178.890 0.209 2
1 513 . 1 1 A 46 46 GLU N N 46 120.581 119.245 1.336 2
1 514 . 1 1 A 46 46 GLU H H 46 8.001 7.950 0.051 2
1 515 . 1 1 A 46 46 GLU CA C 46 58.462 59.492 -1.030 2
1 516 . 1 1 A 46 46 GLU HA H 46 3.961 4.008 -0.047 2
1 517 . 1 1 A 46 46 GLU CB C 46 29.956 29.324 0.632 2
1 523 . 1 1 A 46 46 GLU C C 46 177.685 178.439 -0.754 2
1 524 . 1 1 A 47 47 ALA N N 47 121.265 121.077 0.188 2
1 525 . 1 1 A 47 47 ALA H H 47 7.625 8.065 -0.440 2
1 526 . 1 1 A 47 47 ALA CA C 47 54.438 55.051 -0.613 2
1 527 . 1 1 A 47 47 ALA HA H 47 4.082 4.104 -0.022 2
1 528 . 1 1 A 47 47 ALA CB C 47 18.192 18.575 -0.383 2
1 532 . 1 1 A 47 47 ALA C C 47 179.879 179.657 0.222 2
1 533 . 1 1 A 48 48 LYS N N 48 118.414 116.715 1.699 2
1 534 . 1 1 A 48 48 LYS H H 48 7.776 7.913 -0.137 2
1 535 . 1 1 A 48 48 LYS CA C 48 58.491 58.711 -0.220 2
1 536 . 1 1 A 48 48 LYS HA H 48 4.063 4.095 -0.032 2
1 537 . 1 1 A 48 48 LYS CB C 48 32.565 31.473 1.092 2
1 547 . 1 1 A 48 48 LYS C C 48 178.235 178.356 -0.121 2
1 548 . 1 1 A 49 49 ARG N N 49 120.324 119.798 0.526 2
1 549 . 1 1 A 49 49 ARG H H 49 7.968 8.103 -0.135 2
1 550 . 1 1 A 49 49 ARG CA C 49 58.156 58.521 -0.365 2
1 551 . 1 1 A 49 49 ARG HA H 49 4.140 4.147 -0.007 2
1 552 . 1 1 A 49 49 ARG CB C 49 30.349 30.235 0.114 2
1 561 . 1 1 A 49 49 ARG C C 49 177.985 178.093 -0.108 2
1 562 . 1 1 A 50 50 LYS N N 50 120.001 117.721 2.280 2
1 563 . 1 1 A 50 50 LYS H H 50 8.051 8.334 -0.283 2
1 564 . 1 1 A 50 50 LYS CA C 50 58.185 58.293 -0.108 2
1 565 . 1 1 A 50 50 LYS HA H 50 4.099 4.191 -0.092 2
1 566 . 1 1 A 50 50 LYS CB C 50 32.645 32.722 -0.077 2
1 575 . 1 1 A 50 50 LYS C C 50 177.791 178.637 -0.846 2
1 576 . 1 1 A 51 51 LYS N N 51 120.458 119.823 0.635 2
1 577 . 1 1 A 51 51 LYS H H 51 7.915 8.082 -0.167 2
1 578 . 1 1 A 51 51 LYS CA C 51 57.452 58.749 -1.297 2
1 579 . 1 1 A 51 51 LYS HA H 51 4.189 4.205 -0.016 2
1 580 . 1 1 A 51 51 LYS CB C 51 32.620 32.757 -0.137 2
1 590 . 1 1 A 51 51 LYS C C 51 177.670 178.885 -1.215 2
1 591 . 1 1 A 52 52 GLN N N 52 119.883 117.288 2.595 2
1 592 . 1 1 A 52 52 GLN H H 52 8.060 7.981 0.079 2
1 593 . 1 1 A 52 52 GLN CA C 52 56.866 58.372 -1.506 2
1 594 . 1 1 A 52 52 GLN HA H 52 4.213 4.113 0.100 2
1 595 . 1 1 A 52 52 GLN CB C 52 28.969 28.058 0.911 2
1 604 . 1 1 A 52 52 GLN C C 52 176.851 176.754 0.097 2
1 605 . 1 1 A 53 53 LEU N N 53 121.489 122.198 -0.709 2
1 606 . 1 1 A 53 53 LEU H H 53 8.027 7.580 0.447 2
1 607 . 1 1 A 53 53 LEU CA C 53 55.826 55.411 0.415 2
1 608 . 1 1 A 53 53 LEU HA H 53 4.288 4.204 0.084 2
1 609 . 1 1 A 53 53 LEU CB C 53 42.379 41.901 0.478 2
1 622 . 1 1 A 53 53 LEU C C 53 177.973 176.420 1.553 2
1 623 . 1 1 A 54 54 GLU N N 54 120.395 124.197 -3.802 2
1 624 . 1 1 A 54 54 GLU H H 54 8.141 8.624 -0.483 2
1 625 . 1 1 A 54 54 GLU CA C 54 56.906 56.342 0.564 2
1 626 . 1 1 A 54 54 GLU HA H 54 4.291 4.547 -0.256 2
1 627 . 1 1 A 54 54 GLU CB C 54 30.228 30.288 -0.060 2
1 633 . 1 1 A 54 54 GLU C C 54 176.762 175.935 0.827 2
1 634 . 1 1 A 55 55 SER N N 55 115.834 117.571 -1.737 2
1 635 . 1 1 A 55 55 SER H H 55 8.178 8.394 -0.216 2
1 636 . 1 1 A 55 55 SER CA C 55 58.606 57.543 1.063 2
1 637 . 1 1 A 55 55 SER HA H 55 4.492 4.841 -0.349 2
1 638 . 1 1 A 55 55 SER CB C 55 63.869 64.946 -1.077 2
1 641 . 1 1 A 55 55 SER C C 55 174.614 173.948 0.666 2
1 642 . 1 1 A 56 56 GLY N N 56 110.601 111.756 -1.155 2
1 643 . 1 1 A 56 56 GLY H H 56 8.163 8.396 -0.233 2
1 644 . 1 1 A 56 56 GLY CA C 56 44.731 44.915 -0.184 2
1 645 . 1 1 A 56 56 GLY HA2 H 56 4.098 4.143 -0.045 2
1 646 . 1 1 A 56 56 GLY HA3 H 56 4.167 4.143 0.024 2
1 647 . 1 1 A 56 56 GLY C C 56 171.805 173.452 -1.647 2
1 648 . 1 1 A 57 57 PRO CA C 57 63.271 63.618 -0.347 2
1 649 . 1 1 A 57 57 PRO HA H 57 4.475 4.530 -0.055 2
1 650 . 1 1 A 57 57 PRO CB C 57 32.133 31.869 0.265 2
1 659 . 1 1 A 57 57 PRO C C 57 177.422 176.459 0.963 2
1 660 . 1 1 A 58 58 SER N N 58 116.422 114.662 1.760 2
1 661 . 1 1 A 58 58 SER H H 58 8.524 8.038 0.486 2
1 662 . 1 1 A 58 58 SER CA C 58 58.457 58.185 0.272 2
1 663 . 1 1 A 58 58 SER HA H 58 4.494 4.555 -0.061 2
1 664 . 1 1 A 58 58 SER CB C 58 63.945 64.326 -0.381 2
1 667 . 1 1 A 58 58 SER C C 58 174.720 174.055 0.665 2
1 668 . 1 1 A 59 59 SER N N 59 117.951 119.090 -1.139 2
1 669 . 1 1 A 59 59 SER H H 59 8.342 8.697 -0.355 2
1 670 . 1 1 A 59 59 SER CA C 59 58.327 58.414 -0.087 2
1 671 . 1 1 A 59 59 SER HA H 59 4.491 4.709 -0.218 2
1 672 . 1 1 A 59 59 SER CB C 59 63.965 64.653 -0.688 2
1 675 . 1 1 A 59 59 SER C C 59 173.967 174.465 -0.498 2
stop_
save_