data_10209_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10209
_Entry.PDB_ID 2EOZ
_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 9 9 GLY CA C 9 45.305 46.922 -1.617 1
1 2 . 1 1 1 A 9 9 GLY HA2 H 9 3.909 3.825 0.084 1
1 3 . 1 1 1 A 9 9 GLY HA3 H 9 3.977 3.828 0.149 1
1 4 . 1 1 1 A 9 9 GLY C C 9 174.027 174.336 -0.309 1
1 5 . 1 1 1 A 10 10 GLU N N 10 120.322 122.569 -2.247 1
1 6 . 1 1 1 A 10 10 GLU H H 10 8.205 8.169 0.036 1
1 7 . 1 1 1 A 10 10 GLU CA C 10 56.946 56.353 0.593 1
1 8 . 1 1 1 A 10 10 GLU HA H 10 4.186 4.297 -0.111 1
1 9 . 1 1 1 A 10 10 GLU CB C 10 30.386 30.286 0.100 1
1 15 . 1 1 1 A 10 10 GLU C C 10 176.270 176.413 -0.143 1
1 16 . 1 1 1 A 11 11 LYS N N 11 121.346 125.627 -4.281 1
1 17 . 1 1 1 A 11 11 LYS H H 11 8.235 8.417 -0.182 1
1 18 . 1 1 1 A 11 11 LYS CA C 11 53.873 55.283 -1.410 1
1 19 . 1 1 1 A 11 11 LYS HA H 11 4.584 4.279 0.305 1
1 20 . 1 1 1 A 11 11 LYS CB C 11 33.141 31.973 1.168 1
1 32 . 1 1 1 A 11 11 LYS C C 11 174.194 176.897 -2.703 1
1 33 . 1 1 1 A 12 12 PRO CA C 12 63.602 64.876 -1.274 1
1 34 . 1 1 1 A 12 12 PRO HA H 12 4.297 4.327 -0.030 1
1 35 . 1 1 1 A 12 12 PRO CB C 12 32.253 31.918 0.335 1
1 44 . 1 1 1 A 12 12 PRO C C 12 176.307 175.763 0.544 1
1 45 . 1 1 1 A 13 13 TYR N N 13 118.127 119.187 -1.060 1
1 46 . 1 1 1 A 13 13 TYR H H 13 7.888 7.465 0.423 1
1 47 . 1 1 1 A 13 13 TYR CA C 13 57.331 57.556 -0.225 1
1 48 . 1 1 1 A 13 13 TYR HA H 13 4.744 5.099 -0.355 1
1 49 . 1 1 1 A 13 13 TYR CB C 13 39.167 40.887 -1.720 1
1 60 . 1 1 1 A 13 13 TYR C C 13 175.007 175.399 -0.392 1
1 61 . 1 1 1 A 14 14 SER N N 14 117.730 116.286 1.444 1
1 62 . 1 1 1 A 14 14 SER H H 14 8.673 9.002 -0.329 1
1 63 . 1 1 1 A 14 14 SER CA C 14 57.166 57.819 -0.653 1
1 64 . 1 1 1 A 14 14 SER HA H 14 5.308 5.035 0.273 1
1 65 . 1 1 1 A 14 14 SER CB C 14 65.510 66.594 -1.084 1
1 68 . 1 1 1 A 14 14 SER C C 14 173.013 172.467 0.546 1
1 69 . 1 1 1 A 15 15 CYS N N 15 125.795 124.316 1.479 1
1 70 . 1 1 1 A 15 15 CYS H H 15 9.205 9.160 0.045 1
1 71 . 1 1 1 A 15 15 CYS CA C 15 59.676 58.140 1.536 1
1 72 . 1 1 1 A 15 15 CYS HA H 15 4.541 4.754 -0.213 1
1 73 . 1 1 1 A 15 15 CYS CB C 15 29.996 27.619 2.377 1
1 76 . 1 1 1 A 15 15 CYS C C 15 177.406 175.759 1.647 1
1 77 . 1 1 1 A 16 16 ASN N N 16 130.048 124.028 6.020 1
1 78 . 1 1 1 A 16 16 ASN H H 16 9.338 8.961 0.377 1
1 79 . 1 1 1 A 16 16 ASN CA C 16 55.280 53.103 2.177 1
1 80 . 1 1 1 A 16 16 ASN HA H 16 4.549 4.707 -0.158 1
1 81 . 1 1 1 A 16 16 ASN CB C 16 37.925 37.935 -0.010 1
1 87 . 1 1 1 A 16 16 ASN C C 16 174.862 174.298 0.564 1
1 88 . 1 1 1 A 17 17 VAL N N 17 123.044 117.672 5.372 1
1 89 . 1 1 1 A 17 17 VAL H H 17 9.097 7.997 1.100 1
1 90 . 1 1 1 A 17 17 VAL CA C 17 65.187 63.694 1.493 1
1 91 . 1 1 1 A 17 17 VAL HA H 17 3.802 4.175 -0.373 1
1 92 . 1 1 1 A 17 17 VAL CB C 17 32.789 33.544 -0.755 1
1 102 . 1 1 1 A 17 17 VAL C C 17 177.200 177.280 -0.080 1
1 103 . 1 1 1 A 18 18 CYS N N 18 116.865 115.686 1.179 1
1 104 . 1 1 1 A 18 18 CYS H H 18 8.480 7.602 0.878 1
1 105 . 1 1 1 A 18 18 CYS CA C 18 58.318 59.628 -1.310 1
1 106 . 1 1 1 A 18 18 CYS HA H 18 5.171 4.661 0.510 1
1 107 . 1 1 1 A 18 18 CYS CB C 18 32.802 29.887 2.915 1
1 110 . 1 1 1 A 18 18 CYS C C 18 176.592 175.138 1.454 1
1 111 . 1 1 1 A 19 19 GLY N N 19 113.414 109.220 4.194 1
1 112 . 1 1 1 A 19 19 GLY H H 19 8.031 7.909 0.122 1
1 113 . 1 1 1 A 19 19 GLY CA C 19 46.207 45.735 0.472 1
1 114 . 1 1 1 A 19 19 GLY HA2 H 19 3.888 4.080 -0.192 1
1 115 . 1 1 1 A 19 19 GLY HA3 H 19 4.255 4.090 0.165 1
1 116 . 1 1 1 A 19 19 GLY C C 19 174.005 173.683 0.322 1
1 117 . 1 1 1 A 20 20 LYS N N 20 124.005 120.741 3.264 1
1 118 . 1 1 1 A 20 20 LYS H H 20 7.996 8.006 -0.010 1
1 119 . 1 1 1 A 20 20 LYS CA C 20 58.589 54.618 3.971 1
1 120 . 1 1 1 A 20 20 LYS HA H 20 3.899 4.937 -1.038 1
1 121 . 1 1 1 A 20 20 LYS CB C 20 33.573 35.670 -2.097 1
1 133 . 1 1 1 A 20 20 LYS C C 20 173.550 174.587 -1.037 1
1 134 . 1 1 1 A 21 21 ALA N N 21 124.604 123.816 0.788 1
1 135 . 1 1 1 A 21 21 ALA H H 21 7.779 8.154 -0.375 1
1 136 . 1 1 1 A 21 21 ALA CA C 21 50.576 50.571 0.005 1
1 137 . 1 1 1 A 21 21 ALA HA H 21 5.141 5.227 -0.086 1
1 138 . 1 1 1 A 21 21 ALA CB C 21 22.100 23.958 -1.858 1
1 142 . 1 1 1 A 21 21 ALA C C 21 176.396 174.840 1.556 1
1 143 . 1 1 1 A 22 22 PHE N N 22 116.766 116.254 0.512 1
1 144 . 1 1 1 A 22 22 PHE H H 22 8.741 8.950 -0.209 1
1 145 . 1 1 1 A 22 22 PHE CA C 22 57.289 56.757 0.532 1
1 146 . 1 1 1 A 22 22 PHE HA H 22 4.820 4.956 -0.136 1
1 147 . 1 1 1 A 22 22 PHE CB C 22 44.102 43.395 0.707 1
1 160 . 1 1 1 A 22 22 PHE C C 22 174.919 175.677 -0.758 1
1 161 . 1 1 1 A 23 23 VAL N N 23 120.073 121.527 -1.454 1
1 162 . 1 1 1 A 23 23 VAL H H 23 9.112 8.865 0.247 1
1 163 . 1 1 1 A 23 23 VAL CA C 23 65.090 65.375 -0.285 1
1 164 . 1 1 1 A 23 23 VAL HA H 23 4.199 4.176 0.023 1
1 165 . 1 1 1 A 23 23 VAL CB C 23 32.938 32.715 0.223 1
1 175 . 1 1 1 A 23 23 VAL C C 23 175.563 176.453 -0.890 1
1 176 . 1 1 1 A 24 24 LEU N N 24 115.397 119.657 -4.260 1
1 177 . 1 1 1 A 24 24 LEU H H 24 7.329 8.036 -0.707 1
1 178 . 1 1 1 A 24 24 LEU CA C 24 52.640 52.925 -0.285 1
1 179 . 1 1 1 A 24 24 LEU HA H 24 4.798 4.659 0.139 1
1 180 . 1 1 1 A 24 24 LEU CB C 24 43.962 44.002 -0.040 1
1 193 . 1 1 1 A 24 24 LEU C C 24 177.817 176.569 1.248 1
1 194 . 1 1 1 A 25 25 SER N N 25 121.327 116.678 4.649 1
1 195 . 1 1 1 A 25 25 SER H H 25 8.467 8.392 0.075 1
1 196 . 1 1 1 A 25 25 SER CA C 25 60.968 60.582 0.386 1
1 197 . 1 1 1 A 25 25 SER HA H 25 3.074 3.090 -0.016 1
1 198 . 1 1 1 A 25 25 SER CB C 25 61.619 62.540 -0.921 1
1 201 . 1 1 1 A 25 25 SER C C 25 177.184 176.360 0.824 1
1 202 . 1 1 1 A 26 26 ALA CA C 26 55.062 55.293 -0.231 1
1 203 . 1 1 1 A 26 26 ALA HA H 26 4.055 3.892 0.163 1
1 204 . 1 1 1 A 26 26 ALA CB C 26 18.357 18.130 0.227 1
1 208 . 1 1 1 A 26 26 ALA C C 26 180.290 179.732 0.558 1
1 209 . 1 1 1 A 27 27 HIS N N 27 115.252 116.129 -0.877 1
1 210 . 1 1 1 A 27 27 HIS H H 27 6.767 7.745 -0.978 1
1 211 . 1 1 1 A 27 27 HIS CA C 27 56.633 59.304 -2.671 1
1 212 . 1 1 1 A 27 27 HIS HA H 27 4.410 4.344 0.066 1
1 213 . 1 1 1 A 27 27 HIS CB C 27 31.638 30.019 1.619 1
1 220 . 1 1 1 A 27 27 HIS C C 27 178.478 177.440 1.038 1
1 221 . 1 1 1 A 28 28 LEU N N 28 122.106 120.849 1.257 1
1 222 . 1 1 1 A 28 28 LEU H H 28 6.996 7.895 -0.899 1
1 223 . 1 1 1 A 28 28 LEU CA C 28 57.746 57.488 0.258 1
1 224 . 1 1 1 A 28 28 LEU HA H 28 3.230 2.197 1.033 1
1 225 . 1 1 1 A 28 28 LEU CB C 28 39.918 41.234 -1.316 1
1 238 . 1 1 1 A 28 28 LEU C C 28 177.325 178.365 -1.040 1
1 239 . 1 1 1 A 29 29 ASN N N 29 116.979 115.905 1.074 1
1 240 . 1 1 1 A 29 29 ASN H H 29 8.235 8.406 -0.171 1
1 241 . 1 1 1 A 29 29 ASN CA C 29 56.666 56.412 0.254 1
1 242 . 1 1 1 A 29 29 ASN HA H 29 4.311 4.340 -0.029 1
1 243 . 1 1 1 A 29 29 ASN CB C 29 37.848 37.821 0.027 1
1 249 . 1 1 1 A 29 29 ASN C C 29 177.975 178.050 -0.075 1
1 250 . 1 1 1 A 30 30 GLN N N 30 117.598 117.948 -0.350 1
1 251 . 1 1 1 A 30 30 GLN H H 30 7.545 8.190 -0.645 1
1 252 . 1 1 1 A 30 30 GLN CA C 30 58.522 59.237 -0.715 1
1 253 . 1 1 1 A 30 30 GLN HA H 30 4.017 3.944 0.073 1
1 254 . 1 1 1 A 30 30 GLN CB C 30 28.526 28.183 0.343 1
1 263 . 1 1 1 A 30 30 GLN C C 30 178.093 178.443 -0.350 1
1 264 . 1 1 1 A 31 31 HIS N N 31 120.149 120.262 -0.113 1
1 265 . 1 1 1 A 31 31 HIS H H 31 7.634 7.428 0.206 1
1 266 . 1 1 1 A 31 31 HIS CA C 31 59.164 59.552 -0.388 1
1 267 . 1 1 1 A 31 31 HIS HA H 31 4.230 4.251 -0.021 1
1 268 . 1 1 1 A 31 31 HIS CB C 31 28.669 30.158 -1.489 1
1 275 . 1 1 1 A 31 31 HIS C C 31 176.050 176.863 -0.813 1
1 276 . 1 1 1 A 32 32 LEU N N 32 117.026 119.763 -2.737 1
1 277 . 1 1 1 A 32 32 LEU H H 32 8.303 8.577 -0.274 1
1 278 . 1 1 1 A 32 32 LEU CA C 32 58.266 57.918 0.348 1
1 279 . 1 1 1 A 32 32 LEU HA H 32 3.824 3.846 -0.022 1
1 280 . 1 1 1 A 32 32 LEU CB C 32 42.032 41.605 0.427 1
1 293 . 1 1 1 A 32 32 LEU C C 32 178.896 179.150 -0.254 1
1 294 . 1 1 1 A 33 33 ARG N N 33 116.212 118.979 -2.767 1
1 295 . 1 1 1 A 33 33 ARG H H 33 7.064 7.916 -0.852 1
1 296 . 1 1 1 A 33 33 ARG CA C 33 58.296 59.712 -1.416 1
1 297 . 1 1 1 A 33 33 ARG HA H 33 4.101 3.890 0.211 1
1 298 . 1 1 1 A 33 33 ARG CB C 33 29.962 29.975 -0.013 1
1 307 . 1 1 1 A 33 33 ARG C C 33 178.559 178.629 -0.070 1
1 308 . 1 1 1 A 34 34 VAL N N 34 116.383 116.553 -0.170 1
1 309 . 1 1 1 A 34 34 VAL H H 34 7.963 7.888 0.075 1
1 310 . 1 1 1 A 34 34 VAL CA C 34 64.107 64.921 -0.814 1
1 311 . 1 1 1 A 34 34 VAL HA H 34 3.911 3.740 0.171 1
1 312 . 1 1 1 A 34 34 VAL CB C 34 31.048 31.073 -0.025 1
1 322 . 1 1 1 A 34 34 VAL C C 34 177.493 177.054 0.439 1
1 323 . 1 1 1 A 35 35 HIS N N 35 116.627 119.716 -3.089 1
1 324 . 1 1 1 A 35 35 HIS H H 35 7.182 7.534 -0.352 1
1 325 . 1 1 1 A 35 35 HIS CA C 35 55.246 57.638 -2.392 1
1 326 . 1 1 1 A 35 35 HIS HA H 35 4.912 4.515 0.397 1
1 327 . 1 1 1 A 35 35 HIS CB C 35 28.593 31.085 -2.492 1
1 334 . 1 1 1 A 35 35 HIS C C 35 175.599 176.603 -1.004 1
1 335 . 1 1 1 A 36 36 THR N N 36 113.157 111.191 1.966 1
1 336 . 1 1 1 A 36 36 THR H H 36 7.751 8.182 -0.431 1
1 337 . 1 1 1 A 36 36 THR CA C 36 62.698 61.065 1.633 1
1 338 . 1 1 1 A 36 36 THR HA H 36 4.345 4.328 0.017 1
1 339 . 1 1 1 A 36 36 THR CB C 36 69.800 67.196 2.604 1
1 345 . 1 1 1 A 36 36 THR C C 36 174.754 173.455 1.299 1
1 346 . 1 1 1 A 37 37 GLN N N 37 121.531 125.206 -3.675 1
1 347 . 1 1 1 A 37 37 GLN H H 37 8.263 7.875 0.388 1
1 348 . 1 1 1 A 37 37 GLN CA C 37 56.362 54.009 2.353 1
1 349 . 1 1 1 A 37 37 GLN HA H 37 4.337 5.069 -0.732 1
1 350 . 1 1 1 A 37 37 GLN CB C 37 29.282 32.383 -3.101 1
1 359 . 1 1 1 A 37 37 GLN C C 37 176.193 174.708 1.485 1
1 360 . 1 1 1 A 38 38 GLU N N 38 121.589 125.099 -3.510 1
1 361 . 1 1 1 A 38 38 GLU H H 38 8.347 8.636 -0.289 1
1 362 . 1 1 1 A 38 38 GLU CA C 38 57.138 56.480 0.658 1
1 363 . 1 1 1 A 38 38 GLU HA H 38 4.312 4.559 -0.247 1
1 364 . 1 1 1 A 38 38 GLU CB C 38 30.433 29.955 0.478 1
1 370 . 1 1 1 A 38 38 GLU C C 38 176.848 176.157 0.691 1
1 371 . 1 1 1 A 39 39 THR N N 39 115.160 116.934 -1.774 1
1 372 . 1 1 1 A 39 39 THR H H 39 8.173 8.652 -0.479 1
1 373 . 1 1 1 A 39 39 THR CA C 39 61.834 60.566 1.268 1
1 374 . 1 1 1 A 39 39 THR HA H 39 4.376 4.821 -0.445 1
1 375 . 1 1 1 A 39 39 THR CB C 39 69.909 69.745 0.164 1
1 381 . 1 1 1 A 39 39 THR C C 39 174.596 172.270 2.326 1
1 382 . 1 1 1 A 40 40 LEU N N 40 124.714 128.367 -3.653 1
1 383 . 1 1 1 A 40 40 LEU H H 40 8.266 8.741 -0.475 1
1 384 . 1 1 1 A 40 40 LEU CA C 40 55.357 53.413 1.944 1
1 385 . 1 1 1 A 40 40 LEU HA H 40 4.415 4.472 -0.057 1
1 386 . 1 1 1 A 40 40 LEU CB C 40 42.326 40.811 1.515 1
1 399 . 1 1 1 A 40 40 LEU C C 40 177.381 176.351 1.030 1
1 400 . 1 1 1 A 41 41 SER N N 41 116.335 120.478 -4.143 1
1 401 . 1 1 1 A 41 41 SER H H 41 8.278 8.566 -0.288 1
1 402 . 1 1 1 A 41 41 SER CA C 41 58.331 59.436 -1.105 1
1 403 . 1 1 1 A 41 41 SER HA H 41 4.514 4.559 -0.045 1
1 404 . 1 1 1 A 41 41 SER CB C 41 63.988 64.867 -0.879 1
1 407 . 1 1 1 A 41 41 SER C C 41 174.478 174.327 0.151 1
1 408 . 1 1 1 A 42 42 GLY N N 42 110.674 106.505 4.169 1
1 409 . 1 1 1 A 42 42 GLY H H 42 8.181 7.470 0.711 1
1 410 . 1 1 1 A 42 42 GLY CA C 42 44.661 45.391 -0.730 1
1 411 . 1 1 1 A 42 42 GLY HA2 H 42 4.176 4.042 0.134 1
1 412 . 1 1 1 A 42 42 GLY HA3 H 42 4.100 4.045 0.055 1
1 413 . 1 1 1 A 42 42 GLY C C 42 171.721 171.479 0.242 1
1 414 . 1 1 1 A 43 43 PRO CA C 43 63.345 62.859 0.486 1
1 415 . 1 1 1 A 43 43 PRO HA H 43 4.491 4.568 -0.077 1
1 416 . 1 1 1 A 43 43 PRO CB C 43 32.228 32.141 0.087 1
1 1 . 2 1 1 A 9 9 GLY CA C 9 45.305 45.855 -0.550 1
1 2 . 2 1 1 A 9 9 GLY HA2 H 9 3.909 4.357 -0.448 1
1 3 . 2 1 1 A 9 9 GLY HA3 H 9 3.977 4.359 -0.382 1
1 4 . 2 1 1 A 9 9 GLY C C 9 174.027 172.033 1.994 1
1 5 . 2 1 1 A 10 10 GLU N N 10 120.322 119.934 0.388 1
1 6 . 2 1 1 A 10 10 GLU H H 10 8.205 8.605 -0.400 1
1 7 . 2 1 1 A 10 10 GLU CA C 10 56.946 54.940 2.006 1
1 8 . 2 1 1 A 10 10 GLU HA H 10 4.186 5.146 -0.960 1
1 9 . 2 1 1 A 10 10 GLU CB C 10 30.386 33.694 -3.308 1
1 15 . 2 1 1 A 10 10 GLU C C 10 176.270 175.104 1.166 1
1 16 . 2 1 1 A 11 11 LYS N N 11 121.346 124.761 -3.415 1
1 17 . 2 1 1 A 11 11 LYS H H 11 8.235 8.411 -0.176 1
1 18 . 2 1 1 A 11 11 LYS CA C 11 53.873 53.019 0.854 1
1 19 . 2 1 1 A 11 11 LYS HA H 11 4.584 4.875 -0.291 1
1 20 . 2 1 1 A 11 11 LYS CB C 11 33.141 34.233 -1.092 1
1 32 . 2 1 1 A 11 11 LYS C C 11 174.194 176.090 -1.896 1
1 33 . 2 1 1 A 12 12 PRO CA C 12 63.602 64.670 -1.068 1
1 34 . 2 1 1 A 12 12 PRO HA H 12 4.297 4.316 -0.019 1
1 35 . 2 1 1 A 12 12 PRO CB C 12 32.253 31.974 0.279 1
1 44 . 2 1 1 A 12 12 PRO C C 12 176.307 175.819 0.488 1
1 45 . 2 1 1 A 13 13 TYR N N 13 118.127 118.990 -0.863 1
1 46 . 2 1 1 A 13 13 TYR H H 13 7.888 7.351 0.537 1
1 47 . 2 1 1 A 13 13 TYR CA C 13 57.331 57.088 0.243 1
1 48 . 2 1 1 A 13 13 TYR HA H 13 4.744 5.245 -0.501 1
1 49 . 2 1 1 A 13 13 TYR CB C 13 39.167 41.110 -1.943 1
1 60 . 2 1 1 A 13 13 TYR C C 13 175.007 175.010 -0.003 1
1 61 . 2 1 1 A 14 14 SER N N 14 117.730 116.154 1.576 1
1 62 . 2 1 1 A 14 14 SER H H 14 8.673 8.886 -0.213 1
1 63 . 2 1 1 A 14 14 SER CA C 14 57.166 57.758 -0.592 1
1 64 . 2 1 1 A 14 14 SER HA H 14 5.308 5.129 0.179 1
1 65 . 2 1 1 A 14 14 SER CB C 14 65.510 66.515 -1.005 1
1 68 . 2 1 1 A 14 14 SER C C 14 173.013 172.416 0.597 1
1 69 . 2 1 1 A 15 15 CYS N N 15 125.795 124.237 1.558 1
1 70 . 2 1 1 A 15 15 CYS H H 15 9.205 9.045 0.160 1
1 71 . 2 1 1 A 15 15 CYS CA C 15 59.676 58.134 1.542 1
1 72 . 2 1 1 A 15 15 CYS HA H 15 4.541 4.894 -0.353 1
1 73 . 2 1 1 A 15 15 CYS CB C 15 29.996 29.626 0.370 1
1 76 . 2 1 1 A 15 15 CYS C C 15 177.406 175.907 1.499 1
1 77 . 2 1 1 A 16 16 ASN N N 16 130.048 122.766 7.282 1
1 78 . 2 1 1 A 16 16 ASN H H 16 9.338 8.973 0.365 1
1 79 . 2 1 1 A 16 16 ASN CA C 16 55.280 53.029 2.251 1
1 80 . 2 1 1 A 16 16 ASN HA H 16 4.549 4.929 -0.380 1
1 81 . 2 1 1 A 16 16 ASN CB C 16 37.925 38.222 -0.297 1
1 87 . 2 1 1 A 16 16 ASN C C 16 174.862 174.512 0.350 1
1 88 . 2 1 1 A 17 17 VAL N N 17 123.044 117.697 5.347 1
1 89 . 2 1 1 A 17 17 VAL H H 17 9.097 7.574 1.523 1
1 90 . 2 1 1 A 17 17 VAL CA C 17 65.187 63.745 1.442 1
1 91 . 2 1 1 A 17 17 VAL HA H 17 3.802 4.187 -0.385 1
1 92 . 2 1 1 A 17 17 VAL CB C 17 32.789 33.392 -0.603 1
1 102 . 2 1 1 A 17 17 VAL C C 17 177.200 177.249 -0.049 1
1 103 . 2 1 1 A 18 18 CYS N N 18 116.865 115.179 1.686 1
1 104 . 2 1 1 A 18 18 CYS H H 18 8.480 7.708 0.772 1
1 105 . 2 1 1 A 18 18 CYS CA C 18 58.318 59.503 -1.185 1
1 106 . 2 1 1 A 18 18 CYS HA H 18 5.171 4.589 0.582 1
1 107 . 2 1 1 A 18 18 CYS CB C 18 32.802 29.806 2.996 1
1 110 . 2 1 1 A 18 18 CYS C C 18 176.592 175.265 1.327 1
1 111 . 2 1 1 A 19 19 GLY N N 19 113.414 109.578 3.836 1
1 112 . 2 1 1 A 19 19 GLY H H 19 8.031 8.208 -0.177 1
1 113 . 2 1 1 A 19 19 GLY CA C 19 46.207 45.861 0.346 1
1 114 . 2 1 1 A 19 19 GLY HA2 H 19 3.888 4.061 -0.173 1
1 115 . 2 1 1 A 19 19 GLY HA3 H 19 4.255 4.071 0.184 1
1 116 . 2 1 1 A 19 19 GLY C C 19 174.005 173.711 0.294 1
1 117 . 2 1 1 A 20 20 LYS N N 20 124.005 120.050 3.955 1
1 118 . 2 1 1 A 20 20 LYS H H 20 7.996 7.777 0.219 1
1 119 . 2 1 1 A 20 20 LYS CA C 20 58.589 54.499 4.090 1
1 120 . 2 1 1 A 20 20 LYS HA H 20 3.899 4.899 -1.000 1
1 121 . 2 1 1 A 20 20 LYS CB C 20 33.573 36.047 -2.474 1
1 133 . 2 1 1 A 20 20 LYS C C 20 173.550 174.227 -0.677 1
1 134 . 2 1 1 A 21 21 ALA N N 21 124.604 123.814 0.790 1
1 135 . 2 1 1 A 21 21 ALA H H 21 7.779 8.186 -0.407 1
1 136 . 2 1 1 A 21 21 ALA CA C 21 50.576 50.638 -0.062 1
1 137 . 2 1 1 A 21 21 ALA HA H 21 5.141 5.205 -0.064 1
1 138 . 2 1 1 A 21 21 ALA CB C 21 22.100 23.502 -1.402 1
1 142 . 2 1 1 A 21 21 ALA C C 21 176.396 174.701 1.695 1
1 143 . 2 1 1 A 22 22 PHE N N 22 116.766 117.170 -0.404 1
1 144 . 2 1 1 A 22 22 PHE H H 22 8.741 9.104 -0.363 1
1 145 . 2 1 1 A 22 22 PHE CA C 22 57.289 56.652 0.637 1
1 146 . 2 1 1 A 22 22 PHE HA H 22 4.820 5.032 -0.212 1
1 147 . 2 1 1 A 22 22 PHE CB C 22 44.102 43.490 0.612 1
1 160 . 2 1 1 A 22 22 PHE C C 22 174.919 175.803 -0.884 1
1 161 . 2 1 1 A 23 23 VAL N N 23 120.073 120.968 -0.895 1
1 162 . 2 1 1 A 23 23 VAL H H 23 9.112 8.925 0.187 1
1 163 . 2 1 1 A 23 23 VAL CA C 23 65.090 64.890 0.200 1
1 164 . 2 1 1 A 23 23 VAL HA H 23 4.199 4.245 -0.046 1
1 165 . 2 1 1 A 23 23 VAL CB C 23 32.938 32.644 0.294 1
1 175 . 2 1 1 A 23 23 VAL C C 23 175.563 176.584 -1.021 1
1 176 . 2 1 1 A 24 24 LEU N N 24 115.397 119.865 -4.468 1
1 177 . 2 1 1 A 24 24 LEU H H 24 7.329 8.225 -0.896 1
1 178 . 2 1 1 A 24 24 LEU CA C 24 52.640 53.220 -0.580 1
1 179 . 2 1 1 A 24 24 LEU HA H 24 4.798 4.820 -0.022 1
1 180 . 2 1 1 A 24 24 LEU CB C 24 43.962 44.038 -0.076 1
1 193 . 2 1 1 A 24 24 LEU C C 24 177.817 176.695 1.122 1
1 194 . 2 1 1 A 25 25 SER N N 25 121.327 117.216 4.111 1
1 195 . 2 1 1 A 25 25 SER H H 25 8.467 8.531 -0.064 1
1 196 . 2 1 1 A 25 25 SER CA C 25 60.968 60.562 0.406 1
1 197 . 2 1 1 A 25 25 SER HA H 25 3.074 2.784 0.290 1
1 198 . 2 1 1 A 25 25 SER CB C 25 61.619 62.270 -0.651 1
1 201 . 2 1 1 A 25 25 SER C C 25 177.184 176.474 0.710 1
1 202 . 2 1 1 A 26 26 ALA CA C 26 55.062 55.128 -0.066 1
1 203 . 2 1 1 A 26 26 ALA HA H 26 4.055 3.875 0.180 1
1 204 . 2 1 1 A 26 26 ALA CB C 26 18.357 18.699 -0.342 1
1 208 . 2 1 1 A 26 26 ALA C C 26 180.290 179.986 0.304 1
1 209 . 2 1 1 A 27 27 HIS N N 27 115.252 116.116 -0.864 1
1 210 . 2 1 1 A 27 27 HIS H H 27 6.767 7.932 -1.165 1
1 211 . 2 1 1 A 27 27 HIS CA C 27 56.633 59.054 -2.421 1
1 212 . 2 1 1 A 27 27 HIS HA H 27 4.410 4.225 0.185 1
1 213 . 2 1 1 A 27 27 HIS CB C 27 31.638 30.029 1.609 1
1 220 . 2 1 1 A 27 27 HIS C C 27 178.478 177.194 1.284 1
1 221 . 2 1 1 A 28 28 LEU N N 28 122.106 120.316 1.790 1
1 222 . 2 1 1 A 28 28 LEU H H 28 6.996 7.706 -0.710 1
1 223 . 2 1 1 A 28 28 LEU CA C 28 57.746 57.499 0.247 1
1 224 . 2 1 1 A 28 28 LEU HA H 28 3.230 2.303 0.927 1
1 225 . 2 1 1 A 28 28 LEU CB C 28 39.918 41.302 -1.384 1
1 238 . 2 1 1 A 28 28 LEU C C 28 177.325 178.213 -0.888 1
1 239 . 2 1 1 A 29 29 ASN N N 29 116.979 116.033 0.946 1
1 240 . 2 1 1 A 29 29 ASN H H 29 8.235 8.411 -0.176 1
1 241 . 2 1 1 A 29 29 ASN CA C 29 56.666 56.389 0.277 1
1 242 . 2 1 1 A 29 29 ASN HA H 29 4.311 4.341 -0.030 1
1 243 . 2 1 1 A 29 29 ASN CB C 29 37.848 37.854 -0.006 1
1 249 . 2 1 1 A 29 29 ASN C C 29 177.975 177.892 0.083 1
1 250 . 2 1 1 A 30 30 GLN N N 30 117.598 117.904 -0.306 1
1 251 . 2 1 1 A 30 30 GLN H H 30 7.545 8.319 -0.774 1
1 252 . 2 1 1 A 30 30 GLN CA C 30 58.522 59.198 -0.676 1
1 253 . 2 1 1 A 30 30 GLN HA H 30 4.017 3.918 0.099 1
1 254 . 2 1 1 A 30 30 GLN CB C 30 28.526 28.064 0.462 1
1 263 . 2 1 1 A 30 30 GLN C C 30 178.093 178.532 -0.439 1
1 264 . 2 1 1 A 31 31 HIS N N 31 120.149 120.018 0.131 1
1 265 . 2 1 1 A 31 31 HIS H H 31 7.634 7.510 0.124 1
1 266 . 2 1 1 A 31 31 HIS CA C 31 59.164 59.732 -0.568 1
1 267 . 2 1 1 A 31 31 HIS HA H 31 4.230 4.274 -0.044 1
1 268 . 2 1 1 A 31 31 HIS CB C 31 28.669 30.229 -1.560 1
1 275 . 2 1 1 A 31 31 HIS C C 31 176.050 176.849 -0.799 1
1 276 . 2 1 1 A 32 32 LEU N N 32 117.026 118.821 -1.795 1
1 277 . 2 1 1 A 32 32 LEU H H 32 8.303 8.305 -0.002 1
1 278 . 2 1 1 A 32 32 LEU CA C 32 58.266 57.566 0.700 1
1 279 . 2 1 1 A 32 32 LEU HA H 32 3.824 3.716 0.108 1
1 280 . 2 1 1 A 32 32 LEU CB C 32 42.032 41.245 0.787 1
1 293 . 2 1 1 A 32 32 LEU C C 32 178.896 178.679 0.217 1
1 294 . 2 1 1 A 33 33 ARG N N 33 116.212 118.466 -2.254 1
1 295 . 2 1 1 A 33 33 ARG H H 33 7.064 8.053 -0.989 1
1 296 . 2 1 1 A 33 33 ARG CA C 33 58.296 58.758 -0.462 1
1 297 . 2 1 1 A 33 33 ARG HA H 33 4.101 3.965 0.136 1
1 298 . 2 1 1 A 33 33 ARG CB C 33 29.962 29.877 0.085 1
1 307 . 2 1 1 A 33 33 ARG C C 33 178.559 178.405 0.154 1
1 308 . 2 1 1 A 34 34 VAL N N 34 116.383 116.984 -0.601 1
1 309 . 2 1 1 A 34 34 VAL H H 34 7.963 7.614 0.349 1
1 310 . 2 1 1 A 34 34 VAL CA C 34 64.107 65.416 -1.309 1
1 311 . 2 1 1 A 34 34 VAL HA H 34 3.911 3.832 0.079 1
1 312 . 2 1 1 A 34 34 VAL CB C 34 31.048 31.035 0.013 1
1 322 . 2 1 1 A 34 34 VAL C C 34 177.493 177.865 -0.372 1
1 323 . 2 1 1 A 35 35 HIS N N 35 116.627 120.354 -3.727 1
1 324 . 2 1 1 A 35 35 HIS H H 35 7.182 7.415 -0.233 1
1 325 . 2 1 1 A 35 35 HIS CA C 35 55.246 58.637 -3.391 1
1 326 . 2 1 1 A 35 35 HIS HA H 35 4.912 4.464 0.448 1
1 327 . 2 1 1 A 35 35 HIS CB C 35 28.593 30.479 -1.886 1
1 334 . 2 1 1 A 35 35 HIS C C 35 175.599 177.304 -1.705 1
1 335 . 2 1 1 A 36 36 THR N N 36 113.157 114.594 -1.437 1
1 336 . 2 1 1 A 36 36 THR H H 36 7.751 8.616 -0.865 1
1 337 . 2 1 1 A 36 36 THR CA C 36 62.698 65.585 -2.887 1
1 338 . 2 1 1 A 36 36 THR HA H 36 4.345 3.836 0.509 1
1 339 . 2 1 1 A 36 36 THR CB C 36 69.800 69.110 0.690 1
1 345 . 2 1 1 A 36 36 THR C C 36 174.754 175.559 -0.805 1
1 346 . 2 1 1 A 37 37 GLN N N 37 121.531 121.381 0.150 1
1 347 . 2 1 1 A 37 37 GLN H H 37 8.263 7.758 0.505 1
1 348 . 2 1 1 A 37 37 GLN CA C 37 56.362 56.047 0.315 1
1 349 . 2 1 1 A 37 37 GLN HA H 37 4.337 4.184 0.153 1
1 350 . 2 1 1 A 37 37 GLN CB C 37 29.282 28.957 0.325 1
1 359 . 2 1 1 A 37 37 GLN C C 37 176.193 175.908 0.285 1
1 360 . 2 1 1 A 38 38 GLU N N 38 121.589 126.818 -5.229 1
1 361 . 2 1 1 A 38 38 GLU H H 38 8.347 8.487 -0.140 1
1 362 . 2 1 1 A 38 38 GLU CA C 38 57.138 57.451 -0.313 1
1 363 . 2 1 1 A 38 38 GLU HA H 38 4.312 4.192 0.120 1
1 364 . 2 1 1 A 38 38 GLU CB C 38 30.433 30.002 0.431 1
1 370 . 2 1 1 A 38 38 GLU C C 38 176.848 177.122 -0.274 1
1 371 . 2 1 1 A 39 39 THR N N 39 115.160 115.733 -0.573 1
1 372 . 2 1 1 A 39 39 THR H H 39 8.173 8.983 -0.810 1
1 373 . 2 1 1 A 39 39 THR CA C 39 61.834 62.373 -0.539 1
1 374 . 2 1 1 A 39 39 THR HA H 39 4.376 4.580 -0.204 1
1 375 . 2 1 1 A 39 39 THR CB C 39 69.909 70.039 -0.130 1
1 381 . 2 1 1 A 39 39 THR C C 39 174.596 174.130 0.466 1
1 382 . 2 1 1 A 40 40 LEU N N 40 124.714 122.036 2.678 1
1 383 . 2 1 1 A 40 40 LEU H H 40 8.266 8.019 0.247 1
1 384 . 2 1 1 A 40 40 LEU CA C 40 55.357 53.622 1.735 1
1 385 . 2 1 1 A 40 40 LEU HA H 40 4.415 4.814 -0.399 1
1 386 . 2 1 1 A 40 40 LEU CB C 40 42.326 46.490 -4.164 1
1 399 . 2 1 1 A 40 40 LEU C C 40 177.381 175.007 2.374 1
1 400 . 2 1 1 A 41 41 SER N N 41 116.335 120.195 -3.860 1
1 401 . 2 1 1 A 41 41 SER H H 41 8.278 8.847 -0.569 1
1 402 . 2 1 1 A 41 41 SER CA C 41 58.331 58.480 -0.149 1
1 403 . 2 1 1 A 41 41 SER HA H 41 4.514 4.853 -0.339 1
1 404 . 2 1 1 A 41 41 SER CB C 41 63.988 64.133 -0.145 1
1 407 . 2 1 1 A 41 41 SER C C 41 174.478 173.984 0.494 1
1 408 . 2 1 1 A 42 42 GLY N N 42 110.674 109.416 1.258 1
1 409 . 2 1 1 A 42 42 GLY H H 42 8.181 8.372 -0.191 1
1 410 . 2 1 1 A 42 42 GLY CA C 42 44.661 45.660 -0.999 1
1 411 . 2 1 1 A 42 42 GLY HA2 H 42 4.176 4.211 -0.035 1
1 412 . 2 1 1 A 42 42 GLY HA3 H 42 4.100 4.211 -0.111 1
1 413 . 2 1 1 A 42 42 GLY C C 42 171.721 171.647 0.074 1
1 414 . 2 1 1 A 43 43 PRO CA C 43 63.345 62.694 0.651 1
1 415 . 2 1 1 A 43 43 PRO HA H 43 4.491 4.598 -0.107 1
1 416 . 2 1 1 A 43 43 PRO CB C 43 32.228 32.525 -0.297 1
1 1 . 3 1 1 A 9 9 GLY CA C 9 45.305 44.859 0.446 1
1 2 . 3 1 1 A 9 9 GLY HA2 H 9 3.909 4.055 -0.146 1
1 3 . 3 1 1 A 9 9 GLY HA3 H 9 3.977 4.058 -0.081 1
1 4 . 3 1 1 A 9 9 GLY C C 9 174.027 173.100 0.927 1
1 5 . 3 1 1 A 10 10 GLU N N 10 120.322 119.824 0.498 1
1 6 . 3 1 1 A 10 10 GLU H H 10 8.205 8.432 -0.227 1
1 7 . 3 1 1 A 10 10 GLU CA C 10 56.946 55.510 1.436 1
1 8 . 3 1 1 A 10 10 GLU HA H 10 4.186 4.604 -0.418 1
1 9 . 3 1 1 A 10 10 GLU CB C 10 30.386 30.365 0.021 1
1 15 . 3 1 1 A 10 10 GLU C C 10 176.270 175.979 0.291 1
1 16 . 3 1 1 A 11 11 LYS N N 11 121.346 125.343 -3.997 1
1 17 . 3 1 1 A 11 11 LYS H H 11 8.235 8.640 -0.405 1
1 18 . 3 1 1 A 11 11 LYS CA C 11 53.873 54.854 -0.981 1
1 19 . 3 1 1 A 11 11 LYS HA H 11 4.584 4.330 0.254 1
1 20 . 3 1 1 A 11 11 LYS CB C 11 33.141 31.931 1.210 1
1 32 . 3 1 1 A 11 11 LYS C C 11 174.194 176.695 -2.501 1
1 33 . 3 1 1 A 12 12 PRO CA C 12 63.602 64.810 -1.208 1
1 34 . 3 1 1 A 12 12 PRO HA H 12 4.297 4.322 -0.025 1
1 35 . 3 1 1 A 12 12 PRO CB C 12 32.253 31.901 0.352 1
1 44 . 3 1 1 A 12 12 PRO C C 12 176.307 175.793 0.514 1
1 45 . 3 1 1 A 13 13 TYR N N 13 118.127 119.195 -1.068 1
1 46 . 3 1 1 A 13 13 TYR H H 13 7.888 7.494 0.394 1
1 47 . 3 1 1 A 13 13 TYR CA C 13 57.331 57.595 -0.264 1
1 48 . 3 1 1 A 13 13 TYR HA H 13 4.744 5.098 -0.354 1
1 49 . 3 1 1 A 13 13 TYR CB C 13 39.167 41.043 -1.876 1
1 60 . 3 1 1 A 13 13 TYR C C 13 175.007 175.322 -0.315 1
1 61 . 3 1 1 A 14 14 SER N N 14 117.730 115.054 2.676 1
1 62 . 3 1 1 A 14 14 SER H H 14 8.673 9.000 -0.327 1
1 63 . 3 1 1 A 14 14 SER CA C 14 57.166 57.186 -0.020 1
1 64 . 3 1 1 A 14 14 SER HA H 14 5.308 5.287 0.021 1
1 65 . 3 1 1 A 14 14 SER CB C 14 65.510 66.323 -0.813 1
1 68 . 3 1 1 A 14 14 SER C C 14 173.013 172.643 0.370 1
1 69 . 3 1 1 A 15 15 CYS N N 15 125.795 122.561 3.234 1
1 70 . 3 1 1 A 15 15 CYS H H 15 9.205 9.129 0.076 1
1 71 . 3 1 1 A 15 15 CYS CA C 15 59.676 58.246 1.430 1
1 72 . 3 1 1 A 15 15 CYS HA H 15 4.541 4.904 -0.363 1
1 73 . 3 1 1 A 15 15 CYS CB C 15 29.996 29.010 0.986 1
1 76 . 3 1 1 A 15 15 CYS C C 15 177.406 176.181 1.225 1
1 77 . 3 1 1 A 16 16 ASN N N 16 130.048 122.746 7.302 1
1 78 . 3 1 1 A 16 16 ASN H H 16 9.338 8.929 0.409 1
1 79 . 3 1 1 A 16 16 ASN CA C 16 55.280 52.972 2.308 1
1 80 . 3 1 1 A 16 16 ASN HA H 16 4.549 4.933 -0.384 1
1 81 . 3 1 1 A 16 16 ASN CB C 16 37.925 38.216 -0.291 1
1 87 . 3 1 1 A 16 16 ASN C C 16 174.862 174.551 0.311 1
1 88 . 3 1 1 A 17 17 VAL N N 17 123.044 117.688 5.356 1
1 89 . 3 1 1 A 17 17 VAL H H 17 9.097 7.574 1.523 1
1 90 . 3 1 1 A 17 17 VAL CA C 17 65.187 63.678 1.509 1
1 91 . 3 1 1 A 17 17 VAL HA H 17 3.802 4.176 -0.374 1
1 92 . 3 1 1 A 17 17 VAL CB C 17 32.789 33.364 -0.575 1
1 102 . 3 1 1 A 17 17 VAL C C 17 177.200 177.200 0.000 1
1 103 . 3 1 1 A 18 18 CYS N N 18 116.865 115.278 1.587 1
1 104 . 3 1 1 A 18 18 CYS H H 18 8.480 7.642 0.838 1
1 105 . 3 1 1 A 18 18 CYS CA C 18 58.318 59.369 -1.051 1
1 106 . 3 1 1 A 18 18 CYS HA H 18 5.171 4.610 0.561 1
1 107 . 3 1 1 A 18 18 CYS CB C 18 32.802 30.032 2.770 1
1 110 . 3 1 1 A 18 18 CYS C C 18 176.592 175.081 1.511 1
1 111 . 3 1 1 A 19 19 GLY N N 19 113.414 108.938 4.476 1
1 112 . 3 1 1 A 19 19 GLY H H 19 8.031 8.163 -0.132 1
1 113 . 3 1 1 A 19 19 GLY CA C 19 46.207 45.965 0.242 1
1 114 . 3 1 1 A 19 19 GLY HA2 H 19 3.888 4.067 -0.179 1
1 115 . 3 1 1 A 19 19 GLY HA3 H 19 4.255 4.079 0.176 1
1 116 . 3 1 1 A 19 19 GLY C C 19 174.005 173.652 0.353 1
1 117 . 3 1 1 A 20 20 LYS N N 20 124.005 121.368 2.637 1
1 118 . 3 1 1 A 20 20 LYS H H 20 7.996 8.082 -0.086 1
1 119 . 3 1 1 A 20 20 LYS CA C 20 58.589 54.723 3.866 1
1 120 . 3 1 1 A 20 20 LYS HA H 20 3.899 4.885 -0.986 1
1 121 . 3 1 1 A 20 20 LYS CB C 20 33.573 36.015 -2.442 1
1 133 . 3 1 1 A 20 20 LYS C C 20 173.550 174.346 -0.796 1
1 134 . 3 1 1 A 21 21 ALA N N 21 124.604 123.556 1.048 1
1 135 . 3 1 1 A 21 21 ALA H H 21 7.779 8.245 -0.466 1
1 136 . 3 1 1 A 21 21 ALA CA C 21 50.576 50.185 0.391 1
1 137 . 3 1 1 A 21 21 ALA HA H 21 5.141 5.194 -0.053 1
1 138 . 3 1 1 A 21 21 ALA CB C 21 22.100 23.573 -1.473 1
1 142 . 3 1 1 A 21 21 ALA C C 21 176.396 174.750 1.646 1
1 143 . 3 1 1 A 22 22 PHE N N 22 116.766 116.791 -0.025 1
1 144 . 3 1 1 A 22 22 PHE H H 22 8.741 8.798 -0.057 1
1 145 . 3 1 1 A 22 22 PHE CA C 22 57.289 56.670 0.619 1
1 146 . 3 1 1 A 22 22 PHE HA H 22 4.820 5.043 -0.223 1
1 147 . 3 1 1 A 22 22 PHE CB C 22 44.102 43.555 0.547 1
1 160 . 3 1 1 A 22 22 PHE C C 22 174.919 175.757 -0.838 1
1 161 . 3 1 1 A 23 23 VAL N N 23 120.073 121.208 -1.135 1
1 162 . 3 1 1 A 23 23 VAL H H 23 9.112 8.856 0.256 1
1 163 . 3 1 1 A 23 23 VAL CA C 23 65.090 65.169 -0.079 1
1 164 . 3 1 1 A 23 23 VAL HA H 23 4.199 4.217 -0.018 1
1 165 . 3 1 1 A 23 23 VAL CB C 23 32.938 32.809 0.129 1
1 175 . 3 1 1 A 23 23 VAL C C 23 175.563 176.521 -0.958 1
1 176 . 3 1 1 A 24 24 LEU N N 24 115.397 119.767 -4.370 1
1 177 . 3 1 1 A 24 24 LEU H H 24 7.329 8.054 -0.725 1
1 178 . 3 1 1 A 24 24 LEU CA C 24 52.640 52.852 -0.212 1
1 179 . 3 1 1 A 24 24 LEU HA H 24 4.798 4.759 0.039 1
1 180 . 3 1 1 A 24 24 LEU CB C 24 43.962 44.229 -0.267 1
1 193 . 3 1 1 A 24 24 LEU C C 24 177.817 176.603 1.214 1
1 194 . 3 1 1 A 25 25 SER N N 25 121.327 116.791 4.536 1
1 195 . 3 1 1 A 25 25 SER H H 25 8.467 8.402 0.065 1
1 196 . 3 1 1 A 25 25 SER CA C 25 60.968 60.646 0.322 1
1 197 . 3 1 1 A 25 25 SER HA H 25 3.074 3.186 -0.112 1
1 198 . 3 1 1 A 25 25 SER CB C 25 61.619 62.457 -0.838 1
1 201 . 3 1 1 A 25 25 SER C C 25 177.184 176.420 0.764 1
1 202 . 3 1 1 A 26 26 ALA CA C 26 55.062 55.169 -0.107 1
1 203 . 3 1 1 A 26 26 ALA HA H 26 4.055 3.848 0.207 1
1 204 . 3 1 1 A 26 26 ALA CB C 26 18.357 18.487 -0.130 1
1 208 . 3 1 1 A 26 26 ALA C C 26 180.290 179.813 0.477 1
1 209 . 3 1 1 A 27 27 HIS N N 27 115.252 116.097 -0.845 1
1 210 . 3 1 1 A 27 27 HIS H H 27 6.767 7.788 -1.021 1
1 211 . 3 1 1 A 27 27 HIS CA C 27 56.633 59.313 -2.680 1
1 212 . 3 1 1 A 27 27 HIS HA H 27 4.410 4.310 0.100 1
1 213 . 3 1 1 A 27 27 HIS CB C 27 31.638 30.059 1.579 1
1 220 . 3 1 1 A 27 27 HIS C C 27 178.478 177.187 1.291 1
1 221 . 3 1 1 A 28 28 LEU N N 28 122.106 120.669 1.437 1
1 222 . 3 1 1 A 28 28 LEU H H 28 6.996 7.275 -0.279 1
1 223 . 3 1 1 A 28 28 LEU CA C 28 57.746 57.470 0.276 1
1 224 . 3 1 1 A 28 28 LEU HA H 28 3.230 1.900 1.330 1
1 225 . 3 1 1 A 28 28 LEU CB C 28 39.918 40.870 -0.952 1
1 238 . 3 1 1 A 28 28 LEU C C 28 177.325 178.128 -0.803 1
1 239 . 3 1 1 A 29 29 ASN N N 29 116.979 116.007 0.972 1
1 240 . 3 1 1 A 29 29 ASN H H 29 8.235 8.153 0.082 1
1 241 . 3 1 1 A 29 29 ASN CA C 29 56.666 56.315 0.351 1
1 242 . 3 1 1 A 29 29 ASN HA H 29 4.311 4.344 -0.033 1
1 243 . 3 1 1 A 29 29 ASN CB C 29 37.848 38.101 -0.253 1
1 249 . 3 1 1 A 29 29 ASN C C 29 177.975 177.918 0.057 1
1 250 . 3 1 1 A 30 30 GLN N N 30 117.598 117.708 -0.110 1
1 251 . 3 1 1 A 30 30 GLN H H 30 7.545 8.168 -0.623 1
1 252 . 3 1 1 A 30 30 GLN CA C 30 58.522 58.796 -0.274 1
1 253 . 3 1 1 A 30 30 GLN HA H 30 4.017 3.967 0.050 1
1 254 . 3 1 1 A 30 30 GLN CB C 30 28.526 28.315 0.211 1
1 263 . 3 1 1 A 30 30 GLN C C 30 178.093 178.544 -0.451 1
1 264 . 3 1 1 A 31 31 HIS N N 31 120.149 121.628 -1.479 1
1 265 . 3 1 1 A 31 31 HIS H H 31 7.634 7.664 -0.030 1
1 266 . 3 1 1 A 31 31 HIS CA C 31 59.164 59.379 -0.215 1
1 267 . 3 1 1 A 31 31 HIS HA H 31 4.230 4.229 0.001 1
1 268 . 3 1 1 A 31 31 HIS CB C 31 28.669 29.837 -1.168 1
1 275 . 3 1 1 A 31 31 HIS C C 31 176.050 176.938 -0.888 1
1 276 . 3 1 1 A 32 32 LEU N N 32 117.026 119.554 -2.528 1
1 277 . 3 1 1 A 32 32 LEU H H 32 8.303 8.151 0.152 1
1 278 . 3 1 1 A 32 32 LEU CA C 32 58.266 58.155 0.111 1
1 279 . 3 1 1 A 32 32 LEU HA H 32 3.824 3.759 0.065 1
1 280 . 3 1 1 A 32 32 LEU CB C 32 42.032 41.620 0.412 1
1 293 . 3 1 1 A 32 32 LEU C C 32 178.896 179.044 -0.148 1
1 294 . 3 1 1 A 33 33 ARG N N 33 116.212 118.531 -2.319 1
1 295 . 3 1 1 A 33 33 ARG H H 33 7.064 7.736 -0.672 1
1 296 . 3 1 1 A 33 33 ARG CA C 33 58.296 59.837 -1.541 1
1 297 . 3 1 1 A 33 33 ARG HA H 33 4.101 3.856 0.245 1
1 298 . 3 1 1 A 33 33 ARG CB C 33 29.962 29.904 0.058 1
1 307 . 3 1 1 A 33 33 ARG C C 33 178.559 178.683 -0.124 1
1 308 . 3 1 1 A 34 34 VAL N N 34 116.383 116.797 -0.414 1
1 309 . 3 1 1 A 34 34 VAL H H 34 7.963 7.840 0.123 1
1 310 . 3 1 1 A 34 34 VAL CA C 34 64.107 65.044 -0.937 1
1 311 . 3 1 1 A 34 34 VAL HA H 34 3.911 3.765 0.146 1
1 312 . 3 1 1 A 34 34 VAL CB C 34 31.048 31.092 -0.044 1
1 322 . 3 1 1 A 34 34 VAL C C 34 177.493 176.884 0.609 1
1 323 . 3 1 1 A 35 35 HIS N N 35 116.627 119.548 -2.921 1
1 324 . 3 1 1 A 35 35 HIS H H 35 7.182 7.856 -0.674 1
1 325 . 3 1 1 A 35 35 HIS CA C 35 55.246 54.653 0.593 1
1 326 . 3 1 1 A 35 35 HIS HA H 35 4.912 4.653 0.259 1
1 327 . 3 1 1 A 35 35 HIS CB C 35 28.593 28.159 0.434 1
1 334 . 3 1 1 A 35 35 HIS C C 35 175.599 175.593 0.006 1
1 335 . 3 1 1 A 36 36 THR N N 36 113.157 114.392 -1.235 1
1 336 . 3 1 1 A 36 36 THR H H 36 7.751 7.777 -0.026 1
1 337 . 3 1 1 A 36 36 THR CA C 36 62.698 63.309 -0.611 1
1 338 . 3 1 1 A 36 36 THR HA H 36 4.345 4.568 -0.223 1
1 339 . 3 1 1 A 36 36 THR CB C 36 69.800 70.951 -1.151 1
1 345 . 3 1 1 A 36 36 THR C C 36 174.754 176.155 -1.401 1
1 346 . 3 1 1 A 37 37 GLN N N 37 121.531 120.597 0.934 1
1 347 . 3 1 1 A 37 37 GLN H H 37 8.263 7.993 0.270 1
1 348 . 3 1 1 A 37 37 GLN CA C 37 56.362 58.066 -1.704 1
1 349 . 3 1 1 A 37 37 GLN HA H 37 4.337 4.150 0.187 1
1 350 . 3 1 1 A 37 37 GLN CB C 37 29.282 29.660 -0.378 1
1 359 . 3 1 1 A 37 37 GLN C C 37 176.193 176.087 0.106 1
1 360 . 3 1 1 A 38 38 GLU N N 38 121.589 119.559 2.030 1
1 361 . 3 1 1 A 38 38 GLU H H 38 8.347 7.827 0.520 1
1 362 . 3 1 1 A 38 38 GLU CA C 38 57.138 56.062 1.076 1
1 363 . 3 1 1 A 38 38 GLU HA H 38 4.312 4.495 -0.183 1
1 364 . 3 1 1 A 38 38 GLU CB C 38 30.433 31.354 -0.921 1
1 370 . 3 1 1 A 38 38 GLU C C 38 176.848 175.475 1.373 1
1 371 . 3 1 1 A 39 39 THR N N 39 115.160 117.055 -1.895 1
1 372 . 3 1 1 A 39 39 THR H H 39 8.173 8.615 -0.442 1
1 373 . 3 1 1 A 39 39 THR CA C 39 61.834 60.287 1.547 1
1 374 . 3 1 1 A 39 39 THR HA H 39 4.376 5.048 -0.672 1
1 375 . 3 1 1 A 39 39 THR CB C 39 69.909 71.552 -1.643 1
1 381 . 3 1 1 A 39 39 THR C C 39 174.596 173.204 1.392 1
1 382 . 3 1 1 A 40 40 LEU N N 40 124.714 128.855 -4.141 1
1 383 . 3 1 1 A 40 40 LEU H H 40 8.266 8.971 -0.705 1
1 384 . 3 1 1 A 40 40 LEU CA C 40 55.357 53.796 1.561 1
1 385 . 3 1 1 A 40 40 LEU HA H 40 4.415 4.691 -0.276 1
1 386 . 3 1 1 A 40 40 LEU CB C 40 42.326 42.131 0.195 1
1 399 . 3 1 1 A 40 40 LEU C C 40 177.381 175.152 2.229 1
1 400 . 3 1 1 A 41 41 SER N N 41 116.335 115.422 0.913 1
1 401 . 3 1 1 A 41 41 SER H H 41 8.278 7.643 0.635 1
1 402 . 3 1 1 A 41 41 SER CA C 41 58.331 56.407 1.924 1
1 403 . 3 1 1 A 41 41 SER HA H 41 4.514 4.984 -0.470 1
1 404 . 3 1 1 A 41 41 SER CB C 41 63.988 65.736 -1.748 1
1 407 . 3 1 1 A 41 41 SER C C 41 174.478 173.170 1.308 1
1 408 . 3 1 1 A 42 42 GLY N N 42 110.674 112.661 -1.987 1
1 409 . 3 1 1 A 42 42 GLY H H 42 8.181 8.824 -0.643 1
1 410 . 3 1 1 A 42 42 GLY CA C 42 44.661 44.216 0.445 1
1 411 . 3 1 1 A 42 42 GLY HA2 H 42 4.176 4.189 -0.013 1
1 412 . 3 1 1 A 42 42 GLY HA3 H 42 4.100 4.189 -0.089 1
1 413 . 3 1 1 A 42 42 GLY C C 42 171.721 173.108 -1.387 1
1 414 . 3 1 1 A 43 43 PRO CA C 43 63.345 62.849 0.496 1
1 415 . 3 1 1 A 43 43 PRO HA H 43 4.491 4.634 -0.143 1
1 416 . 3 1 1 A 43 43 PRO CB C 43 32.228 31.710 0.518 1
1 1 . 4 1 1 A 9 9 GLY CA C 9 45.305 46.565 -1.260 1
1 2 . 4 1 1 A 9 9 GLY HA2 H 9 3.909 4.024 -0.115 1
1 3 . 4 1 1 A 9 9 GLY HA3 H 9 3.977 4.026 -0.049 1
1 4 . 4 1 1 A 9 9 GLY C C 9 174.027 174.682 -0.655 1
1 5 . 4 1 1 A 10 10 GLU N N 10 120.322 113.534 6.788 1
1 6 . 4 1 1 A 10 10 GLU H H 10 8.205 7.819 0.386 1
1 7 . 4 1 1 A 10 10 GLU CA C 10 56.946 55.220 1.726 1
1 8 . 4 1 1 A 10 10 GLU HA H 10 4.186 4.770 -0.584 1
1 9 . 4 1 1 A 10 10 GLU CB C 10 30.386 32.100 -1.714 1
1 15 . 4 1 1 A 10 10 GLU C C 10 176.270 173.757 2.513 1
1 16 . 4 1 1 A 11 11 LYS N N 11 121.346 120.220 1.126 1
1 17 . 4 1 1 A 11 11 LYS H H 11 8.235 8.537 -0.302 1
1 18 . 4 1 1 A 11 11 LYS CA C 11 53.873 52.900 0.973 1
1 19 . 4 1 1 A 11 11 LYS HA H 11 4.584 4.854 -0.270 1
1 20 . 4 1 1 A 11 11 LYS CB C 11 33.141 34.095 -0.954 1
1 32 . 4 1 1 A 11 11 LYS C C 11 174.194 176.235 -2.041 1
1 33 . 4 1 1 A 12 12 PRO CA C 12 63.602 64.821 -1.219 1
1 34 . 4 1 1 A 12 12 PRO HA H 12 4.297 4.322 -0.025 1
1 35 . 4 1 1 A 12 12 PRO CB C 12 32.253 32.025 0.228 1
1 44 . 4 1 1 A 12 12 PRO C C 12 176.307 175.836 0.471 1
1 45 . 4 1 1 A 13 13 TYR N N 13 118.127 118.830 -0.703 1
1 46 . 4 1 1 A 13 13 TYR H H 13 7.888 7.527 0.361 1
1 47 . 4 1 1 A 13 13 TYR CA C 13 57.331 57.254 0.077 1
1 48 . 4 1 1 A 13 13 TYR HA H 13 4.744 5.198 -0.454 1
1 49 . 4 1 1 A 13 13 TYR CB C 13 39.167 41.162 -1.995 1
1 60 . 4 1 1 A 13 13 TYR C C 13 175.007 175.045 -0.038 1
1 61 . 4 1 1 A 14 14 SER N N 14 117.730 115.874 1.856 1
1 62 . 4 1 1 A 14 14 SER H H 14 8.673 8.923 -0.250 1
1 63 . 4 1 1 A 14 14 SER CA C 14 57.166 57.653 -0.487 1
1 64 . 4 1 1 A 14 14 SER HA H 14 5.308 5.154 0.154 1
1 65 . 4 1 1 A 14 14 SER CB C 14 65.510 66.605 -1.095 1
1 68 . 4 1 1 A 14 14 SER C C 14 173.013 172.729 0.284 1
1 69 . 4 1 1 A 15 15 CYS N N 15 125.795 124.499 1.296 1
1 70 . 4 1 1 A 15 15 CYS H H 15 9.205 9.213 -0.008 1
1 71 . 4 1 1 A 15 15 CYS CA C 15 59.676 58.772 0.904 1
1 72 . 4 1 1 A 15 15 CYS HA H 15 4.541 4.730 -0.189 1
1 73 . 4 1 1 A 15 15 CYS CB C 15 29.996 28.088 1.908 1
1 76 . 4 1 1 A 15 15 CYS C C 15 177.406 176.123 1.283 1
1 77 . 4 1 1 A 16 16 ASN N N 16 130.048 123.789 6.259 1
1 78 . 4 1 1 A 16 16 ASN H H 16 9.338 8.949 0.389 1
1 79 . 4 1 1 A 16 16 ASN CA C 16 55.280 53.073 2.207 1
1 80 . 4 1 1 A 16 16 ASN HA H 16 4.549 4.759 -0.210 1
1 81 . 4 1 1 A 16 16 ASN CB C 16 37.925 37.942 -0.017 1
1 87 . 4 1 1 A 16 16 ASN C C 16 174.862 174.310 0.552 1
1 88 . 4 1 1 A 17 17 VAL N N 17 123.044 117.668 5.376 1
1 89 . 4 1 1 A 17 17 VAL H H 17 9.097 8.018 1.079 1
1 90 . 4 1 1 A 17 17 VAL CA C 17 65.187 63.571 1.616 1
1 91 . 4 1 1 A 17 17 VAL HA H 17 3.802 4.198 -0.396 1
1 92 . 4 1 1 A 17 17 VAL CB C 17 32.789 33.630 -0.841 1
1 102 . 4 1 1 A 17 17 VAL C C 17 177.200 177.301 -0.101 1
1 103 . 4 1 1 A 18 18 CYS N N 18 116.865 115.354 1.511 1
1 104 . 4 1 1 A 18 18 CYS H H 18 8.480 7.637 0.843 1
1 105 . 4 1 1 A 18 18 CYS CA C 18 58.318 59.325 -1.007 1
1 106 . 4 1 1 A 18 18 CYS HA H 18 5.171 4.645 0.526 1
1 107 . 4 1 1 A 18 18 CYS CB C 18 32.802 30.008 2.794 1
1 110 . 4 1 1 A 18 18 CYS C C 18 176.592 175.232 1.360 1
1 111 . 4 1 1 A 19 19 GLY N N 19 113.414 109.246 4.168 1
1 112 . 4 1 1 A 19 19 GLY H H 19 8.031 8.212 -0.181 1
1 113 . 4 1 1 A 19 19 GLY CA C 19 46.207 45.839 0.368 1
1 114 . 4 1 1 A 19 19 GLY HA2 H 19 3.888 4.060 -0.172 1
1 115 . 4 1 1 A 19 19 GLY HA3 H 19 4.255 4.067 0.188 1
1 116 . 4 1 1 A 19 19 GLY C C 19 174.005 173.689 0.316 1
1 117 . 4 1 1 A 20 20 LYS N N 20 124.005 120.550 3.455 1
1 118 . 4 1 1 A 20 20 LYS H H 20 7.996 7.790 0.206 1
1 119 . 4 1 1 A 20 20 LYS CA C 20 58.589 54.530 4.059 1
1 120 . 4 1 1 A 20 20 LYS HA H 20 3.899 4.997 -1.098 1
1 121 . 4 1 1 A 20 20 LYS CB C 20 33.573 36.296 -2.723 1
1 133 . 4 1 1 A 20 20 LYS C C 20 173.550 174.313 -0.763 1
1 134 . 4 1 1 A 21 21 ALA N N 21 124.604 123.704 0.900 1
1 135 . 4 1 1 A 21 21 ALA H H 21 7.779 8.185 -0.406 1
1 136 . 4 1 1 A 21 21 ALA CA C 21 50.576 50.790 -0.214 1
1 137 . 4 1 1 A 21 21 ALA HA H 21 5.141 5.271 -0.130 1
1 138 . 4 1 1 A 21 21 ALA CB C 21 22.100 23.238 -1.138 1
1 142 . 4 1 1 A 21 21 ALA C C 21 176.396 174.766 1.630 1
1 143 . 4 1 1 A 22 22 PHE N N 22 116.766 117.669 -0.903 1
1 144 . 4 1 1 A 22 22 PHE H H 22 8.741 9.176 -0.435 1
1 145 . 4 1 1 A 22 22 PHE CA C 22 57.289 56.603 0.686 1
1 146 . 4 1 1 A 22 22 PHE HA H 22 4.820 4.995 -0.175 1
1 147 . 4 1 1 A 22 22 PHE CB C 22 44.102 43.740 0.362 1
1 160 . 4 1 1 A 22 22 PHE C C 22 174.919 175.868 -0.949 1
1 161 . 4 1 1 A 23 23 VAL N N 23 120.073 121.124 -1.051 1
1 162 . 4 1 1 A 23 23 VAL H H 23 9.112 8.921 0.191 1
1 163 . 4 1 1 A 23 23 VAL CA C 23 65.090 64.568 0.522 1
1 164 . 4 1 1 A 23 23 VAL HA H 23 4.199 4.277 -0.078 1
1 165 . 4 1 1 A 23 23 VAL CB C 23 32.938 32.607 0.331 1
1 175 . 4 1 1 A 23 23 VAL C C 23 175.563 176.653 -1.090 1
1 176 . 4 1 1 A 24 24 LEU N N 24 115.397 119.581 -4.184 1
1 177 . 4 1 1 A 24 24 LEU H H 24 7.329 8.106 -0.777 1
1 178 . 4 1 1 A 24 24 LEU CA C 24 52.640 52.820 -0.180 1
1 179 . 4 1 1 A 24 24 LEU HA H 24 4.798 4.813 -0.015 1
1 180 . 4 1 1 A 24 24 LEU CB C 24 43.962 44.241 -0.279 1
1 193 . 4 1 1 A 24 24 LEU C C 24 177.817 176.651 1.166 1
1 194 . 4 1 1 A 25 25 SER N N 25 121.327 116.051 5.276 1
1 195 . 4 1 1 A 25 25 SER H H 25 8.467 8.620 -0.153 1
1 196 . 4 1 1 A 25 25 SER CA C 25 60.968 60.965 0.003 1
1 197 . 4 1 1 A 25 25 SER HA H 25 3.074 3.098 -0.024 1
1 198 . 4 1 1 A 25 25 SER CB C 25 61.619 62.361 -0.742 1
1 201 . 4 1 1 A 25 25 SER C C 25 177.184 176.000 1.184 1
1 202 . 4 1 1 A 26 26 ALA CA C 26 55.062 55.230 -0.168 1
1 203 . 4 1 1 A 26 26 ALA HA H 26 4.055 3.855 0.200 1
1 204 . 4 1 1 A 26 26 ALA CB C 26 18.357 18.235 0.122 1
1 208 . 4 1 1 A 26 26 ALA C C 26 180.290 179.869 0.421 1
1 209 . 4 1 1 A 27 27 HIS N N 27 115.252 116.101 -0.849 1
1 210 . 4 1 1 A 27 27 HIS H H 27 6.767 7.819 -1.052 1
1 211 . 4 1 1 A 27 27 HIS CA C 27 56.633 59.065 -2.432 1
1 212 . 4 1 1 A 27 27 HIS HA H 27 4.410 4.206 0.204 1
1 213 . 4 1 1 A 27 27 HIS CB C 27 31.638 29.960 1.678 1
1 220 . 4 1 1 A 27 27 HIS C C 27 178.478 177.359 1.119 1
1 221 . 4 1 1 A 28 28 LEU N N 28 122.106 120.181 1.925 1
1 222 . 4 1 1 A 28 28 LEU H H 28 6.996 7.792 -0.796 1
1 223 . 4 1 1 A 28 28 LEU CA C 28 57.746 57.498 0.248 1
1 224 . 4 1 1 A 28 28 LEU HA H 28 3.230 2.430 0.800 1
1 225 . 4 1 1 A 28 28 LEU CB C 28 39.918 41.332 -1.414 1
1 238 . 4 1 1 A 28 28 LEU C C 28 177.325 177.868 -0.543 1
1 239 . 4 1 1 A 29 29 ASN N N 29 116.979 117.363 -0.384 1
1 240 . 4 1 1 A 29 29 ASN H H 29 8.235 8.268 -0.033 1
1 241 . 4 1 1 A 29 29 ASN CA C 29 56.666 56.529 0.137 1
1 242 . 4 1 1 A 29 29 ASN HA H 29 4.311 4.261 0.050 1
1 243 . 4 1 1 A 29 29 ASN CB C 29 37.848 39.358 -1.510 1
1 249 . 4 1 1 A 29 29 ASN C C 29 177.975 177.345 0.630 1
1 250 . 4 1 1 A 30 30 GLN N N 30 117.598 117.583 0.015 1
1 251 . 4 1 1 A 30 30 GLN H H 30 7.545 8.195 -0.650 1
1 252 . 4 1 1 A 30 30 GLN CA C 30 58.522 59.085 -0.563 1
1 253 . 4 1 1 A 30 30 GLN HA H 30 4.017 3.892 0.125 1
1 254 . 4 1 1 A 30 30 GLN CB C 30 28.526 28.103 0.423 1
1 263 . 4 1 1 A 30 30 GLN C C 30 178.093 178.505 -0.412 1
1 264 . 4 1 1 A 31 31 HIS N N 31 120.149 119.767 0.382 1
1 265 . 4 1 1 A 31 31 HIS H H 31 7.634 7.299 0.335 1
1 266 . 4 1 1 A 31 31 HIS CA C 31 59.164 59.819 -0.655 1
1 267 . 4 1 1 A 31 31 HIS HA H 31 4.230 4.188 0.042 1
1 268 . 4 1 1 A 31 31 HIS CB C 31 28.669 29.954 -1.285 1
1 275 . 4 1 1 A 31 31 HIS C C 31 176.050 176.850 -0.800 1
1 276 . 4 1 1 A 32 32 LEU N N 32 117.026 119.528 -2.502 1
1 277 . 4 1 1 A 32 32 LEU H H 32 8.303 8.347 -0.044 1
1 278 . 4 1 1 A 32 32 LEU CA C 32 58.266 57.865 0.401 1
1 279 . 4 1 1 A 32 32 LEU HA H 32 3.824 3.782 0.042 1
1 280 . 4 1 1 A 32 32 LEU CB C 32 42.032 41.624 0.408 1
1 293 . 4 1 1 A 32 32 LEU C C 32 178.896 179.082 -0.186 1
1 294 . 4 1 1 A 33 33 ARG N N 33 116.212 118.901 -2.689 1
1 295 . 4 1 1 A 33 33 ARG H H 33 7.064 7.972 -0.908 1
1 296 . 4 1 1 A 33 33 ARG CA C 33 58.296 59.880 -1.584 1
1 297 . 4 1 1 A 33 33 ARG HA H 33 4.101 3.896 0.205 1
1 298 . 4 1 1 A 33 33 ARG CB C 33 29.962 29.684 0.278 1
1 307 . 4 1 1 A 33 33 ARG C C 33 178.559 178.813 -0.254 1
1 308 . 4 1 1 A 34 34 VAL N N 34 116.383 117.219 -0.836 1
1 309 . 4 1 1 A 34 34 VAL H H 34 7.963 7.908 0.055 1
1 310 . 4 1 1 A 34 34 VAL CA C 34 64.107 64.723 -0.616 1
1 311 . 4 1 1 A 34 34 VAL HA H 34 3.911 3.760 0.151 1
1 312 . 4 1 1 A 34 34 VAL CB C 34 31.048 31.095 -0.047 1
1 322 . 4 1 1 A 34 34 VAL C C 34 177.493 176.812 0.681 1
1 323 . 4 1 1 A 35 35 HIS N N 35 116.627 119.388 -2.761 1
1 324 . 4 1 1 A 35 35 HIS H H 35 7.182 7.859 -0.677 1
1 325 . 4 1 1 A 35 35 HIS CA C 35 55.246 54.659 0.587 1
1 326 . 4 1 1 A 35 35 HIS HA H 35 4.912 4.759 0.153 1
1 327 . 4 1 1 A 35 35 HIS CB C 35 28.593 28.511 0.082 1
1 334 . 4 1 1 A 35 35 HIS C C 35 175.599 175.685 -0.086 1
1 335 . 4 1 1 A 36 36 THR N N 36 113.157 113.839 -0.682 1
1 336 . 4 1 1 A 36 36 THR H H 36 7.751 7.648 0.103 1
1 337 . 4 1 1 A 36 36 THR CA C 36 62.698 63.147 -0.449 1
1 338 . 4 1 1 A 36 36 THR HA H 36 4.345 4.334 0.011 1
1 339 . 4 1 1 A 36 36 THR CB C 36 69.800 70.075 -0.275 1
1 345 . 4 1 1 A 36 36 THR C C 36 174.754 173.910 0.844 1
1 346 . 4 1 1 A 37 37 GLN N N 37 121.531 120.048 1.483 1
1 347 . 4 1 1 A 37 37 GLN H H 37 8.263 7.653 0.610 1
1 348 . 4 1 1 A 37 37 GLN CA C 37 56.362 53.867 2.495 1
1 349 . 4 1 1 A 37 37 GLN HA H 37 4.337 4.814 -0.477 1
1 350 . 4 1 1 A 37 37 GLN CB C 37 29.282 32.173 -2.891 1
1 359 . 4 1 1 A 37 37 GLN C C 37 176.193 174.213 1.980 1
1 360 . 4 1 1 A 38 38 GLU N N 38 121.589 123.095 -1.506 1
1 361 . 4 1 1 A 38 38 GLU H H 38 8.347 8.546 -0.199 1
1 362 . 4 1 1 A 38 38 GLU CA C 38 57.138 56.845 0.293 1
1 363 . 4 1 1 A 38 38 GLU HA H 38 4.312 4.220 0.092 1
1 364 . 4 1 1 A 38 38 GLU CB C 38 30.433 29.919 0.514 1
1 370 . 4 1 1 A 38 38 GLU C C 38 176.848 175.943 0.905 1
1 371 . 4 1 1 A 39 39 THR N N 39 115.160 118.874 -3.714 1
1 372 . 4 1 1 A 39 39 THR H H 39 8.173 8.669 -0.496 1
1 373 . 4 1 1 A 39 39 THR CA C 39 61.834 60.461 1.373 1
1 374 . 4 1 1 A 39 39 THR HA H 39 4.376 4.780 -0.404 1
1 375 . 4 1 1 A 39 39 THR CB C 39 69.909 71.105 -1.196 1
1 381 . 4 1 1 A 39 39 THR C C 39 174.596 174.214 0.382 1
1 382 . 4 1 1 A 40 40 LEU N N 40 124.714 128.805 -4.091 1
1 383 . 4 1 1 A 40 40 LEU H H 40 8.266 8.889 -0.623 1
1 384 . 4 1 1 A 40 40 LEU CA C 40 55.357 55.687 -0.330 1
1 385 . 4 1 1 A 40 40 LEU HA H 40 4.415 3.983 0.432 1
1 386 . 4 1 1 A 40 40 LEU CB C 40 42.326 40.831 1.495 1
1 399 . 4 1 1 A 40 40 LEU C C 40 177.381 176.486 0.895 1
1 400 . 4 1 1 A 41 41 SER N N 41 116.335 115.530 0.805 1
1 401 . 4 1 1 A 41 41 SER H H 41 8.278 7.957 0.321 1
1 402 . 4 1 1 A 41 41 SER CA C 41 58.331 56.868 1.463 1
1 403 . 4 1 1 A 41 41 SER HA H 41 4.514 4.729 -0.215 1
1 404 . 4 1 1 A 41 41 SER CB C 41 63.988 63.335 0.653 1
1 407 . 4 1 1 A 41 41 SER C C 41 174.478 173.974 0.504 1
1 408 . 4 1 1 A 42 42 GLY N N 42 110.674 113.624 -2.950 1
1 409 . 4 1 1 A 42 42 GLY H H 42 8.181 8.292 -0.111 1
1 410 . 4 1 1 A 42 42 GLY CA C 42 44.661 45.217 -0.556 1
1 411 . 4 1 1 A 42 42 GLY HA2 H 42 4.176 4.158 0.018 1
1 412 . 4 1 1 A 42 42 GLY HA3 H 42 4.100 4.159 -0.059 1
1 413 . 4 1 1 A 42 42 GLY C C 42 171.721 173.266 -1.545 1
1 414 . 4 1 1 A 43 43 PRO CA C 43 63.345 62.714 0.631 1
1 415 . 4 1 1 A 43 43 PRO HA H 43 4.491 4.731 -0.240 1
1 416 . 4 1 1 A 43 43 PRO CB C 43 32.228 31.600 0.628 1
1 1 . 5 1 1 A 9 9 GLY CA C 9 45.305 47.370 -2.065 1
1 2 . 5 1 1 A 9 9 GLY HA2 H 9 3.909 3.705 0.204 1
1 3 . 5 1 1 A 9 9 GLY HA3 H 9 3.977 3.708 0.269 1
1 4 . 5 1 1 A 9 9 GLY C C 9 174.027 175.137 -1.110 1
1 5 . 5 1 1 A 10 10 GLU N N 10 120.322 119.762 0.560 1
1 6 . 5 1 1 A 10 10 GLU H H 10 8.205 8.192 0.013 1
1 7 . 5 1 1 A 10 10 GLU CA C 10 56.946 57.209 -0.263 1
1 8 . 5 1 1 A 10 10 GLU HA H 10 4.186 4.001 0.185 1
1 9 . 5 1 1 A 10 10 GLU CB C 10 30.386 28.169 2.217 1
1 15 . 5 1 1 A 10 10 GLU C C 10 176.270 175.964 0.306 1
1 16 . 5 1 1 A 11 11 LYS N N 11 121.346 119.457 1.889 1
1 17 . 5 1 1 A 11 11 LYS H H 11 8.235 7.795 0.440 1
1 18 . 5 1 1 A 11 11 LYS CA C 11 53.873 55.262 -1.389 1
1 19 . 5 1 1 A 11 11 LYS HA H 11 4.584 4.347 0.237 1
1 20 . 5 1 1 A 11 11 LYS CB C 11 33.141 32.258 0.883 1
1 32 . 5 1 1 A 11 11 LYS C C 11 174.194 176.728 -2.534 1
1 33 . 5 1 1 A 12 12 PRO CA C 12 63.602 64.637 -1.035 1
1 34 . 5 1 1 A 12 12 PRO HA H 12 4.297 4.363 -0.066 1
1 35 . 5 1 1 A 12 12 PRO CB C 12 32.253 31.832 0.421 1
1 44 . 5 1 1 A 12 12 PRO C C 12 176.307 175.663 0.644 1
1 45 . 5 1 1 A 13 13 TYR N N 13 118.127 119.149 -1.022 1
1 46 . 5 1 1 A 13 13 TYR H H 13 7.888 7.409 0.479 1
1 47 . 5 1 1 A 13 13 TYR CA C 13 57.331 57.087 0.244 1
1 48 . 5 1 1 A 13 13 TYR HA H 13 4.744 5.226 -0.482 1
1 49 . 5 1 1 A 13 13 TYR CB C 13 39.167 41.415 -2.248 1
1 60 . 5 1 1 A 13 13 TYR C C 13 175.007 174.976 0.031 1
1 61 . 5 1 1 A 14 14 SER N N 14 117.730 115.075 2.655 1
1 62 . 5 1 1 A 14 14 SER H H 14 8.673 8.982 -0.309 1
1 63 . 5 1 1 A 14 14 SER CA C 14 57.166 57.824 -0.658 1
1 64 . 5 1 1 A 14 14 SER HA H 14 5.308 5.209 0.099 1
1 65 . 5 1 1 A 14 14 SER CB C 14 65.510 67.487 -1.977 1
1 68 . 5 1 1 A 14 14 SER C C 14 173.013 172.255 0.758 1
1 69 . 5 1 1 A 15 15 CYS N N 15 125.795 123.288 2.507 1
1 70 . 5 1 1 A 15 15 CYS H H 15 9.205 8.941 0.264 1
1 71 . 5 1 1 A 15 15 CYS CA C 15 59.676 57.519 2.157 1
1 72 . 5 1 1 A 15 15 CYS HA H 15 4.541 4.989 -0.448 1
1 73 . 5 1 1 A 15 15 CYS CB C 15 29.996 30.653 -0.657 1
1 76 . 5 1 1 A 15 15 CYS C C 15 177.406 176.118 1.288 1
1 77 . 5 1 1 A 16 16 ASN N N 16 130.048 124.190 5.858 1
1 78 . 5 1 1 A 16 16 ASN H H 16 9.338 9.008 0.330 1
1 79 . 5 1 1 A 16 16 ASN CA C 16 55.280 54.460 0.820 1
1 80 . 5 1 1 A 16 16 ASN HA H 16 4.549 4.612 -0.063 1
1 81 . 5 1 1 A 16 16 ASN CB C 16 37.925 38.781 -0.856 1
1 87 . 5 1 1 A 16 16 ASN C C 16 174.862 177.382 -2.520 1
1 88 . 5 1 1 A 17 17 VAL N N 17 123.044 120.667 2.377 1
1 89 . 5 1 1 A 17 17 VAL H H 17 9.097 7.935 1.162 1
1 90 . 5 1 1 A 17 17 VAL CA C 17 65.187 66.683 -1.496 1
1 91 . 5 1 1 A 17 17 VAL HA H 17 3.802 3.494 0.308 1
1 92 . 5 1 1 A 17 17 VAL CB C 17 32.789 31.452 1.337 1
1 102 . 5 1 1 A 17 17 VAL C C 17 177.200 177.291 -0.091 1
1 103 . 5 1 1 A 18 18 CYS N N 18 116.865 114.637 2.228 1
1 104 . 5 1 1 A 18 18 CYS H H 18 8.480 7.397 1.083 1
1 105 . 5 1 1 A 18 18 CYS CA C 18 58.318 59.320 -1.002 1
1 106 . 5 1 1 A 18 18 CYS HA H 18 5.171 4.639 0.532 1
1 107 . 5 1 1 A 18 18 CYS CB C 18 32.802 30.144 2.658 1
1 110 . 5 1 1 A 18 18 CYS C C 18 176.592 175.166 1.426 1
1 111 . 5 1 1 A 19 19 GLY N N 19 113.414 109.460 3.954 1
1 112 . 5 1 1 A 19 19 GLY H H 19 8.031 8.240 -0.209 1
1 113 . 5 1 1 A 19 19 GLY CA C 19 46.207 46.064 0.143 1
1 114 . 5 1 1 A 19 19 GLY HA2 H 19 3.888 4.023 -0.135 1
1 115 . 5 1 1 A 19 19 GLY HA3 H 19 4.255 4.033 0.222 1
1 116 . 5 1 1 A 19 19 GLY C C 19 174.005 173.704 0.301 1
1 117 . 5 1 1 A 20 20 LYS N N 20 124.005 120.610 3.395 1
1 118 . 5 1 1 A 20 20 LYS H H 20 7.996 7.509 0.487 1
1 119 . 5 1 1 A 20 20 LYS CA C 20 58.589 54.561 4.028 1
1 120 . 5 1 1 A 20 20 LYS HA H 20 3.899 4.826 -0.927 1
1 121 . 5 1 1 A 20 20 LYS CB C 20 33.573 34.989 -1.416 1
1 133 . 5 1 1 A 20 20 LYS C C 20 173.550 174.147 -0.597 1
1 134 . 5 1 1 A 21 21 ALA N N 21 124.604 123.396 1.208 1
1 135 . 5 1 1 A 21 21 ALA H H 21 7.779 8.127 -0.348 1
1 136 . 5 1 1 A 21 21 ALA CA C 21 50.576 50.947 -0.371 1
1 137 . 5 1 1 A 21 21 ALA HA H 21 5.141 5.050 0.091 1
1 138 . 5 1 1 A 21 21 ALA CB C 21 22.100 22.517 -0.417 1
1 142 . 5 1 1 A 21 21 ALA C C 21 176.396 174.800 1.596 1
1 143 . 5 1 1 A 22 22 PHE N N 22 116.766 118.245 -1.479 1
1 144 . 5 1 1 A 22 22 PHE H H 22 8.741 8.878 -0.137 1
1 145 . 5 1 1 A 22 22 PHE CA C 22 57.289 56.845 0.444 1
1 146 . 5 1 1 A 22 22 PHE HA H 22 4.820 4.924 -0.104 1
1 147 . 5 1 1 A 22 22 PHE CB C 22 44.102 43.640 0.462 1
1 160 . 5 1 1 A 22 22 PHE C C 22 174.919 175.915 -0.996 1
1 161 . 5 1 1 A 23 23 VAL N N 23 120.073 121.674 -1.601 1
1 162 . 5 1 1 A 23 23 VAL H H 23 9.112 8.775 0.337 1
1 163 . 5 1 1 A 23 23 VAL CA C 23 65.090 65.094 -0.004 1
1 164 . 5 1 1 A 23 23 VAL HA H 23 4.199 4.261 -0.062 1
1 165 . 5 1 1 A 23 23 VAL CB C 23 32.938 32.776 0.162 1
1 175 . 5 1 1 A 23 23 VAL C C 23 175.563 176.559 -0.996 1
1 176 . 5 1 1 A 24 24 LEU N N 24 115.397 119.738 -4.341 1
1 177 . 5 1 1 A 24 24 LEU H H 24 7.329 8.168 -0.839 1
1 178 . 5 1 1 A 24 24 LEU CA C 24 52.640 52.937 -0.297 1
1 179 . 5 1 1 A 24 24 LEU HA H 24 4.798 4.791 0.007 1
1 180 . 5 1 1 A 24 24 LEU CB C 24 43.962 44.267 -0.305 1
1 193 . 5 1 1 A 24 24 LEU C C 24 177.817 176.776 1.041 1
1 194 . 5 1 1 A 25 25 SER N N 25 121.327 115.751 5.576 1
1 195 . 5 1 1 A 25 25 SER H H 25 8.467 8.588 -0.121 1
1 196 . 5 1 1 A 25 25 SER CA C 25 60.968 60.933 0.035 1
1 197 . 5 1 1 A 25 25 SER HA H 25 3.074 3.022 0.052 1
1 198 . 5 1 1 A 25 25 SER CB C 25 61.619 62.146 -0.527 1
1 201 . 5 1 1 A 25 25 SER C C 25 177.184 176.058 1.126 1
1 202 . 5 1 1 A 26 26 ALA CA C 26 55.062 55.093 -0.031 1
1 203 . 5 1 1 A 26 26 ALA HA H 26 4.055 3.845 0.210 1
1 204 . 5 1 1 A 26 26 ALA CB C 26 18.357 18.554 -0.197 1
1 208 . 5 1 1 A 26 26 ALA C C 26 180.290 179.795 0.495 1
1 209 . 5 1 1 A 27 27 HIS N N 27 115.252 116.150 -0.898 1
1 210 . 5 1 1 A 27 27 HIS H H 27 6.767 7.874 -1.107 1
1 211 . 5 1 1 A 27 27 HIS CA C 27 56.633 59.111 -2.478 1
1 212 . 5 1 1 A 27 27 HIS HA H 27 4.410 4.255 0.155 1
1 213 . 5 1 1 A 27 27 HIS CB C 27 31.638 29.756 1.882 1
1 220 . 5 1 1 A 27 27 HIS C C 27 178.478 177.264 1.214 1
1 221 . 5 1 1 A 28 28 LEU N N 28 122.106 120.498 1.608 1
1 222 . 5 1 1 A 28 28 LEU H H 28 6.996 7.788 -0.792 1
1 223 . 5 1 1 A 28 28 LEU CA C 28 57.746 57.426 0.320 1
1 224 . 5 1 1 A 28 28 LEU HA H 28 3.230 2.302 0.928 1
1 225 . 5 1 1 A 28 28 LEU CB C 28 39.918 41.566 -1.648 1
1 238 . 5 1 1 A 28 28 LEU C C 28 177.325 177.761 -0.436 1
1 239 . 5 1 1 A 29 29 ASN N N 29 116.979 117.221 -0.242 1
1 240 . 5 1 1 A 29 29 ASN H H 29 8.235 8.305 -0.070 1
1 241 . 5 1 1 A 29 29 ASN CA C 29 56.666 56.845 -0.179 1
1 242 . 5 1 1 A 29 29 ASN HA H 29 4.311 4.235 0.076 1
1 243 . 5 1 1 A 29 29 ASN CB C 29 37.848 39.584 -1.736 1
1 249 . 5 1 1 A 29 29 ASN C C 29 177.975 177.521 0.454 1
1 250 . 5 1 1 A 30 30 GLN N N 30 117.598 117.925 -0.327 1
1 251 . 5 1 1 A 30 30 GLN H H 30 7.545 8.526 -0.981 1
1 252 . 5 1 1 A 30 30 GLN CA C 30 58.522 59.234 -0.712 1
1 253 . 5 1 1 A 30 30 GLN HA H 30 4.017 3.985 0.032 1
1 254 . 5 1 1 A 30 30 GLN CB C 30 28.526 28.050 0.476 1
1 263 . 5 1 1 A 30 30 GLN C C 30 178.093 178.311 -0.218 1
1 264 . 5 1 1 A 31 31 HIS N N 31 120.149 120.500 -0.351 1
1 265 . 5 1 1 A 31 31 HIS H H 31 7.634 7.356 0.278 1
1 266 . 5 1 1 A 31 31 HIS CA C 31 59.164 59.842 -0.678 1
1 267 . 5 1 1 A 31 31 HIS HA H 31 4.230 4.264 -0.034 1
1 268 . 5 1 1 A 31 31 HIS CB C 31 28.669 29.978 -1.309 1
1 275 . 5 1 1 A 31 31 HIS C C 31 176.050 176.863 -0.813 1
1 276 . 5 1 1 A 32 32 LEU N N 32 117.026 119.713 -2.687 1
1 277 . 5 1 1 A 32 32 LEU H H 32 8.303 8.207 0.096 1
1 278 . 5 1 1 A 32 32 LEU CA C 32 58.266 58.113 0.153 1
1 279 . 5 1 1 A 32 32 LEU HA H 32 3.824 3.771 0.053 1
1 280 . 5 1 1 A 32 32 LEU CB C 32 42.032 41.624 0.408 1
1 293 . 5 1 1 A 32 32 LEU C C 32 178.896 179.049 -0.153 1
1 294 . 5 1 1 A 33 33 ARG N N 33 116.212 118.520 -2.308 1
1 295 . 5 1 1 A 33 33 ARG H H 33 7.064 8.214 -1.150 1
1 296 . 5 1 1 A 33 33 ARG CA C 33 58.296 59.822 -1.526 1
1 297 . 5 1 1 A 33 33 ARG HA H 33 4.101 3.836 0.265 1
1 298 . 5 1 1 A 33 33 ARG CB C 33 29.962 29.915 0.047 1
1 307 . 5 1 1 A 33 33 ARG C C 33 178.559 177.966 0.593 1
1 308 . 5 1 1 A 34 34 VAL N N 34 116.383 116.685 -0.302 1
1 309 . 5 1 1 A 34 34 VAL H H 34 7.963 7.788 0.175 1
1 310 . 5 1 1 A 34 34 VAL CA C 34 64.107 65.350 -1.243 1
1 311 . 5 1 1 A 34 34 VAL HA H 34 3.911 3.752 0.159 1
1 312 . 5 1 1 A 34 34 VAL CB C 34 31.048 30.943 0.105 1
1 322 . 5 1 1 A 34 34 VAL C C 34 177.493 177.109 0.384 1
1 323 . 5 1 1 A 35 35 HIS N N 35 116.627 119.244 -2.617 1
1 324 . 5 1 1 A 35 35 HIS H H 35 7.182 7.824 -0.642 1
1 325 . 5 1 1 A 35 35 HIS CA C 35 55.246 54.742 0.504 1
1 326 . 5 1 1 A 35 35 HIS HA H 35 4.912 4.610 0.302 1
1 327 . 5 1 1 A 35 35 HIS CB C 35 28.593 28.073 0.520 1
1 334 . 5 1 1 A 35 35 HIS C C 35 175.599 175.519 0.080 1
1 335 . 5 1 1 A 36 36 THR N N 36 113.157 113.691 -0.534 1
1 336 . 5 1 1 A 36 36 THR H H 36 7.751 7.575 0.176 1
1 337 . 5 1 1 A 36 36 THR CA C 36 62.698 63.311 -0.613 1
1 338 . 5 1 1 A 36 36 THR HA H 36 4.345 4.388 -0.043 1
1 339 . 5 1 1 A 36 36 THR CB C 36 69.800 70.171 -0.371 1
1 345 . 5 1 1 A 36 36 THR C C 36 174.754 174.554 0.200 1
1 346 . 5 1 1 A 37 37 GLN N N 37 121.531 121.370 0.161 1
1 347 . 5 1 1 A 37 37 GLN H H 37 8.263 7.755 0.508 1
1 348 . 5 1 1 A 37 37 GLN CA C 37 56.362 56.244 0.118 1
1 349 . 5 1 1 A 37 37 GLN HA H 37 4.337 4.106 0.231 1
1 350 . 5 1 1 A 37 37 GLN CB C 37 29.282 29.226 0.056 1
1 359 . 5 1 1 A 37 37 GLN C C 37 176.193 175.932 0.261 1
1 360 . 5 1 1 A 38 38 GLU N N 38 121.589 123.628 -2.039 1
1 361 . 5 1 1 A 38 38 GLU H H 38 8.347 8.873 -0.526 1
1 362 . 5 1 1 A 38 38 GLU CA C 38 57.138 56.857 0.281 1
1 363 . 5 1 1 A 38 38 GLU HA H 38 4.312 4.385 -0.073 1
1 364 . 5 1 1 A 38 38 GLU CB C 38 30.433 29.682 0.751 1
1 370 . 5 1 1 A 38 38 GLU C C 38 176.848 177.396 -0.548 1
1 371 . 5 1 1 A 39 39 THR N N 39 115.160 118.598 -3.438 1
1 372 . 5 1 1 A 39 39 THR H H 39 8.173 9.160 -0.987 1
1 373 . 5 1 1 A 39 39 THR CA C 39 61.834 63.017 -1.183 1
1 374 . 5 1 1 A 39 39 THR HA H 39 4.376 3.962 0.414 1
1 375 . 5 1 1 A 39 39 THR CB C 39 69.909 67.644 2.265 1
1 381 . 5 1 1 A 39 39 THR C C 39 174.596 173.563 1.033 1
1 382 . 5 1 1 A 40 40 LEU N N 40 124.714 114.796 9.918 1
1 383 . 5 1 1 A 40 40 LEU H H 40 8.266 8.366 -0.100 1
1 384 . 5 1 1 A 40 40 LEU CA C 40 55.357 56.031 -0.674 1
1 385 . 5 1 1 A 40 40 LEU HA H 40 4.415 3.862 0.553 1
1 386 . 5 1 1 A 40 40 LEU CB C 40 42.326 40.672 1.654 1
1 399 . 5 1 1 A 40 40 LEU C C 40 177.381 175.831 1.550 1
1 400 . 5 1 1 A 41 41 SER N N 41 116.335 114.729 1.606 1
1 401 . 5 1 1 A 41 41 SER H H 41 8.278 8.222 0.056 1
1 402 . 5 1 1 A 41 41 SER CA C 41 58.331 58.796 -0.465 1
1 403 . 5 1 1 A 41 41 SER HA H 41 4.514 4.604 -0.090 1
1 404 . 5 1 1 A 41 41 SER CB C 41 63.988 62.526 1.462 1
1 407 . 5 1 1 A 41 41 SER C C 41 174.478 174.045 0.433 1
1 408 . 5 1 1 A 42 42 GLY N N 42 110.674 113.112 -2.438 1
1 409 . 5 1 1 A 42 42 GLY H H 42 8.181 7.994 0.187 1
1 410 . 5 1 1 A 42 42 GLY CA C 42 44.661 45.717 -1.056 1
1 411 . 5 1 1 A 42 42 GLY HA2 H 42 4.176 4.116 0.060 1
1 412 . 5 1 1 A 42 42 GLY HA3 H 42 4.100 4.117 -0.017 1
1 413 . 5 1 1 A 42 42 GLY C C 42 171.721 173.193 -1.472 1
1 414 . 5 1 1 A 43 43 PRO CA C 43 63.345 62.797 0.548 1
1 415 . 5 1 1 A 43 43 PRO HA H 43 4.491 4.563 -0.072 1
1 416 . 5 1 1 A 43 43 PRO CB C 43 32.228 32.135 0.093 1
1 1 . 6 1 1 A 9 9 GLY CA C 9 45.305 46.049 -0.744 1
1 2 . 6 1 1 A 9 9 GLY HA2 H 9 3.909 3.943 -0.034 1
1 3 . 6 1 1 A 9 9 GLY HA3 H 9 3.977 3.945 0.032 1
1 4 . 6 1 1 A 9 9 GLY C C 9 174.027 172.894 1.133 1
1 5 . 6 1 1 A 10 10 GLU N N 10 120.322 118.467 1.855 1
1 6 . 6 1 1 A 10 10 GLU H H 10 8.205 8.336 -0.131 1
1 7 . 6 1 1 A 10 10 GLU CA C 10 56.946 54.934 2.012 1
1 8 . 6 1 1 A 10 10 GLU HA H 10 4.186 4.979 -0.793 1
1 9 . 6 1 1 A 10 10 GLU CB C 10 30.386 32.434 -2.048 1
1 15 . 6 1 1 A 10 10 GLU C C 10 176.270 174.695 1.575 1
1 16 . 6 1 1 A 11 11 LYS N N 11 121.346 122.071 -0.725 1
1 17 . 6 1 1 A 11 11 LYS H H 11 8.235 8.590 -0.355 1
1 18 . 6 1 1 A 11 11 LYS CA C 11 53.873 54.370 -0.497 1
1 19 . 6 1 1 A 11 11 LYS HA H 11 4.584 4.535 0.049 1
1 20 . 6 1 1 A 11 11 LYS CB C 11 33.141 32.065 1.076 1
1 32 . 6 1 1 A 11 11 LYS C C 11 174.194 176.597 -2.403 1
1 33 . 6 1 1 A 12 12 PRO CA C 12 63.602 64.790 -1.188 1
1 34 . 6 1 1 A 12 12 PRO HA H 12 4.297 4.306 -0.009 1
1 35 . 6 1 1 A 12 12 PRO CB C 12 32.253 31.771 0.482 1
1 44 . 6 1 1 A 12 12 PRO C C 12 176.307 175.846 0.461 1
1 45 . 6 1 1 A 13 13 TYR N N 13 118.127 119.025 -0.898 1
1 46 . 6 1 1 A 13 13 TYR H H 13 7.888 7.440 0.448 1
1 47 . 6 1 1 A 13 13 TYR CA C 13 57.331 57.583 -0.252 1
1 48 . 6 1 1 A 13 13 TYR HA H 13 4.744 5.053 -0.309 1
1 49 . 6 1 1 A 13 13 TYR CB C 13 39.167 40.570 -1.403 1
1 60 . 6 1 1 A 13 13 TYR C C 13 175.007 175.479 -0.472 1
1 61 . 6 1 1 A 14 14 SER N N 14 117.730 114.728 3.002 1
1 62 . 6 1 1 A 14 14 SER H H 14 8.673 9.218 -0.545 1
1 63 . 6 1 1 A 14 14 SER CA C 14 57.166 57.816 -0.650 1
1 64 . 6 1 1 A 14 14 SER HA H 14 5.308 5.319 -0.011 1
1 65 . 6 1 1 A 14 14 SER CB C 14 65.510 66.994 -1.484 1
1 68 . 6 1 1 A 14 14 SER C C 14 173.013 172.539 0.474 1
1 69 . 6 1 1 A 15 15 CYS N N 15 125.795 124.025 1.770 1
1 70 . 6 1 1 A 15 15 CYS H H 15 9.205 9.064 0.141 1
1 71 . 6 1 1 A 15 15 CYS CA C 15 59.676 58.026 1.650 1
1 72 . 6 1 1 A 15 15 CYS HA H 15 4.541 4.962 -0.421 1
1 73 . 6 1 1 A 15 15 CYS CB C 15 29.996 29.809 0.187 1
1 76 . 6 1 1 A 15 15 CYS C C 15 177.406 176.319 1.087 1
1 77 . 6 1 1 A 16 16 ASN N N 16 130.048 122.658 7.390 1
1 78 . 6 1 1 A 16 16 ASN H H 16 9.338 8.593 0.745 1
1 79 . 6 1 1 A 16 16 ASN CA C 16 55.280 53.777 1.503 1
1 80 . 6 1 1 A 16 16 ASN HA H 16 4.549 4.726 -0.177 1
1 81 . 6 1 1 A 16 16 ASN CB C 16 37.925 39.421 -1.496 1
1 87 . 6 1 1 A 16 16 ASN C C 16 174.862 177.255 -2.393 1
1 88 . 6 1 1 A 17 17 VAL N N 17 123.044 120.247 2.797 1
1 89 . 6 1 1 A 17 17 VAL H H 17 9.097 7.759 1.338 1
1 90 . 6 1 1 A 17 17 VAL CA C 17 65.187 66.762 -1.575 1
1 91 . 6 1 1 A 17 17 VAL HA H 17 3.802 3.439 0.363 1
1 92 . 6 1 1 A 17 17 VAL CB C 17 32.789 31.177 1.612 1
1 102 . 6 1 1 A 17 17 VAL C C 17 177.200 177.471 -0.271 1
1 103 . 6 1 1 A 18 18 CYS N N 18 116.865 114.589 2.276 1
1 104 . 6 1 1 A 18 18 CYS H H 18 8.480 7.402 1.078 1
1 105 . 6 1 1 A 18 18 CYS CA C 18 58.318 59.407 -1.089 1
1 106 . 6 1 1 A 18 18 CYS HA H 18 5.171 4.657 0.514 1
1 107 . 6 1 1 A 18 18 CYS CB C 18 32.802 30.078 2.724 1
1 110 . 6 1 1 A 18 18 CYS C C 18 176.592 175.414 1.178 1
1 111 . 6 1 1 A 19 19 GLY N N 19 113.414 110.310 3.104 1
1 112 . 6 1 1 A 19 19 GLY H H 19 8.031 8.505 -0.474 1
1 113 . 6 1 1 A 19 19 GLY CA C 19 46.207 46.300 -0.093 1
1 114 . 6 1 1 A 19 19 GLY HA2 H 19 3.888 3.970 -0.082 1
1 115 . 6 1 1 A 19 19 GLY HA3 H 19 4.255 3.990 0.265 1
1 116 . 6 1 1 A 19 19 GLY C C 19 174.005 173.730 0.275 1
1 117 . 6 1 1 A 20 20 LYS N N 20 124.005 120.294 3.711 1
1 118 . 6 1 1 A 20 20 LYS H H 20 7.996 7.824 0.172 1
1 119 . 6 1 1 A 20 20 LYS CA C 20 58.589 54.543 4.046 1
1 120 . 6 1 1 A 20 20 LYS HA H 20 3.899 4.839 -0.940 1
1 121 . 6 1 1 A 20 20 LYS CB C 20 33.573 35.413 -1.840 1
1 133 . 6 1 1 A 20 20 LYS C C 20 173.550 174.243 -0.693 1
1 134 . 6 1 1 A 21 21 ALA N N 21 124.604 123.454 1.150 1
1 135 . 6 1 1 A 21 21 ALA H H 21 7.779 8.214 -0.435 1
1 136 . 6 1 1 A 21 21 ALA CA C 21 50.576 50.740 -0.164 1
1 137 . 6 1 1 A 21 21 ALA HA H 21 5.141 5.337 -0.196 1
1 138 . 6 1 1 A 21 21 ALA CB C 21 22.100 23.144 -1.044 1
1 142 . 6 1 1 A 21 21 ALA C C 21 176.396 174.718 1.678 1
1 143 . 6 1 1 A 22 22 PHE N N 22 116.766 117.890 -1.124 1
1 144 . 6 1 1 A 22 22 PHE H H 22 8.741 9.175 -0.434 1
1 145 . 6 1 1 A 22 22 PHE CA C 22 57.289 56.542 0.747 1
1 146 . 6 1 1 A 22 22 PHE HA H 22 4.820 4.987 -0.167 1
1 147 . 6 1 1 A 22 22 PHE CB C 22 44.102 43.441 0.661 1
1 160 . 6 1 1 A 22 22 PHE C C 22 174.919 175.851 -0.932 1
1 161 . 6 1 1 A 23 23 VAL N N 23 120.073 121.706 -1.633 1
1 162 . 6 1 1 A 23 23 VAL H H 23 9.112 8.730 0.382 1
1 163 . 6 1 1 A 23 23 VAL CA C 23 65.090 65.466 -0.376 1
1 164 . 6 1 1 A 23 23 VAL HA H 23 4.199 4.119 0.080 1
1 165 . 6 1 1 A 23 23 VAL CB C 23 32.938 32.614 0.324 1
1 175 . 6 1 1 A 23 23 VAL C C 23 175.563 176.454 -0.891 1
1 176 . 6 1 1 A 24 24 LEU N N 24 115.397 119.568 -4.171 1
1 177 . 6 1 1 A 24 24 LEU H H 24 7.329 8.147 -0.818 1
1 178 . 6 1 1 A 24 24 LEU CA C 24 52.640 53.126 -0.486 1
1 179 . 6 1 1 A 24 24 LEU HA H 24 4.798 4.846 -0.048 1
1 180 . 6 1 1 A 24 24 LEU CB C 24 43.962 43.809 0.153 1
1 193 . 6 1 1 A 24 24 LEU C C 24 177.817 176.939 0.878 1
1 194 . 6 1 1 A 25 25 SER N N 25 121.327 117.026 4.301 1
1 195 . 6 1 1 A 25 25 SER H H 25 8.467 8.523 -0.056 1
1 196 . 6 1 1 A 25 25 SER CA C 25 60.968 60.541 0.427 1
1 197 . 6 1 1 A 25 25 SER HA H 25 3.074 2.889 0.185 1
1 198 . 6 1 1 A 25 25 SER CB C 25 61.619 62.316 -0.697 1
1 201 . 6 1 1 A 25 25 SER C C 25 177.184 176.401 0.783 1
1 202 . 6 1 1 A 26 26 ALA CA C 26 55.062 55.201 -0.139 1
1 203 . 6 1 1 A 26 26 ALA HA H 26 4.055 3.867 0.188 1
1 204 . 6 1 1 A 26 26 ALA CB C 26 18.357 18.661 -0.304 1
1 208 . 6 1 1 A 26 26 ALA C C 26 180.290 180.072 0.218 1
1 209 . 6 1 1 A 27 27 HIS N N 27 115.252 116.160 -0.908 1
1 210 . 6 1 1 A 27 27 HIS H H 27 6.767 7.977 -1.210 1
1 211 . 6 1 1 A 27 27 HIS CA C 27 56.633 59.166 -2.533 1
1 212 . 6 1 1 A 27 27 HIS HA H 27 4.410 4.363 0.047 1
1 213 . 6 1 1 A 27 27 HIS CB C 27 31.638 30.197 1.441 1
1 220 . 6 1 1 A 27 27 HIS C C 27 178.478 177.481 0.997 1
1 221 . 6 1 1 A 28 28 LEU N N 28 122.106 120.376 1.730 1
1 222 . 6 1 1 A 28 28 LEU H H 28 6.996 7.785 -0.789 1
1 223 . 6 1 1 A 28 28 LEU CA C 28 57.746 57.310 0.436 1
1 224 . 6 1 1 A 28 28 LEU HA H 28 3.230 1.707 1.523 1
1 225 . 6 1 1 A 28 28 LEU CB C 28 39.918 41.238 -1.320 1
1 238 . 6 1 1 A 28 28 LEU C C 28 177.325 178.219 -0.894 1
1 239 . 6 1 1 A 29 29 ASN N N 29 116.979 115.907 1.072 1
1 240 . 6 1 1 A 29 29 ASN H H 29 8.235 8.509 -0.274 1
1 241 . 6 1 1 A 29 29 ASN CA C 29 56.666 56.394 0.272 1
1 242 . 6 1 1 A 29 29 ASN HA H 29 4.311 4.297 0.014 1
1 243 . 6 1 1 A 29 29 ASN CB C 29 37.848 37.703 0.145 1
1 249 . 6 1 1 A 29 29 ASN C C 29 177.975 178.022 -0.047 1
1 250 . 6 1 1 A 30 30 GLN N N 30 117.598 118.063 -0.465 1
1 251 . 6 1 1 A 30 30 GLN H H 30 7.545 8.259 -0.714 1
1 252 . 6 1 1 A 30 30 GLN CA C 30 58.522 59.124 -0.602 1
1 253 . 6 1 1 A 30 30 GLN HA H 30 4.017 3.925 0.092 1
1 254 . 6 1 1 A 30 30 GLN CB C 30 28.526 28.074 0.452 1
1 263 . 6 1 1 A 30 30 GLN C C 30 178.093 178.461 -0.368 1
1 264 . 6 1 1 A 31 31 HIS N N 31 120.149 119.934 0.215 1
1 265 . 6 1 1 A 31 31 HIS H H 31 7.634 7.339 0.295 1
1 266 . 6 1 1 A 31 31 HIS CA C 31 59.164 59.823 -0.659 1
1 267 . 6 1 1 A 31 31 HIS HA H 31 4.230 4.291 -0.061 1
1 268 . 6 1 1 A 31 31 HIS CB C 31 28.669 30.180 -1.511 1
1 275 . 6 1 1 A 31 31 HIS C C 31 176.050 176.859 -0.809 1
1 276 . 6 1 1 A 32 32 LEU N N 32 117.026 119.124 -2.098 1
1 277 . 6 1 1 A 32 32 LEU H H 32 8.303 8.171 0.132 1
1 278 . 6 1 1 A 32 32 LEU CA C 32 58.266 57.840 0.426 1
1 279 . 6 1 1 A 32 32 LEU HA H 32 3.824 3.726 0.098 1
1 280 . 6 1 1 A 32 32 LEU CB C 32 42.032 41.457 0.575 1
1 293 . 6 1 1 A 32 32 LEU C C 32 178.896 179.105 -0.209 1
1 294 . 6 1 1 A 33 33 ARG N N 33 116.212 118.589 -2.377 1
1 295 . 6 1 1 A 33 33 ARG H H 33 7.064 7.997 -0.933 1
1 296 . 6 1 1 A 33 33 ARG CA C 33 58.296 59.876 -1.580 1
1 297 . 6 1 1 A 33 33 ARG HA H 33 4.101 3.890 0.211 1
1 298 . 6 1 1 A 33 33 ARG CB C 33 29.962 29.748 0.214 1
1 307 . 6 1 1 A 33 33 ARG C C 33 178.559 178.810 -0.251 1
1 308 . 6 1 1 A 34 34 VAL N N 34 116.383 116.903 -0.520 1
1 309 . 6 1 1 A 34 34 VAL H H 34 7.963 7.861 0.102 1
1 310 . 6 1 1 A 34 34 VAL CA C 34 64.107 64.880 -0.773 1
1 311 . 6 1 1 A 34 34 VAL HA H 34 3.911 3.683 0.228 1
1 312 . 6 1 1 A 34 34 VAL CB C 34 31.048 31.157 -0.109 1
1 322 . 6 1 1 A 34 34 VAL C C 34 177.493 177.049 0.444 1
1 323 . 6 1 1 A 35 35 HIS N N 35 116.627 119.302 -2.675 1
1 324 . 6 1 1 A 35 35 HIS H H 35 7.182 7.650 -0.468 1
1 325 . 6 1 1 A 35 35 HIS CA C 35 55.246 57.872 -2.626 1
1 326 . 6 1 1 A 35 35 HIS HA H 35 4.912 4.546 0.366 1
1 327 . 6 1 1 A 35 35 HIS CB C 35 28.593 30.388 -1.795 1
1 334 . 6 1 1 A 35 35 HIS C C 35 175.599 175.383 0.216 1
1 335 . 6 1 1 A 36 36 THR N N 36 113.157 112.954 0.203 1
1 336 . 6 1 1 A 36 36 THR H H 36 7.751 8.298 -0.547 1
1 337 . 6 1 1 A 36 36 THR CA C 36 62.698 63.026 -0.328 1
1 338 . 6 1 1 A 36 36 THR HA H 36 4.345 3.869 0.476 1
1 339 . 6 1 1 A 36 36 THR CB C 36 69.800 67.315 2.485 1
1 345 . 6 1 1 A 36 36 THR C C 36 174.754 173.131 1.623 1
1 346 . 6 1 1 A 37 37 GLN N N 37 121.531 119.604 1.927 1
1 347 . 6 1 1 A 37 37 GLN H H 37 8.263 7.552 0.711 1
1 348 . 6 1 1 A 37 37 GLN CA C 37 56.362 54.069 2.293 1
1 349 . 6 1 1 A 37 37 GLN HA H 37 4.337 4.997 -0.660 1
1 350 . 6 1 1 A 37 37 GLN CB C 37 29.282 33.048 -3.766 1
1 359 . 6 1 1 A 37 37 GLN C C 37 176.193 174.585 1.608 1
1 360 . 6 1 1 A 38 38 GLU N N 38 121.589 118.851 2.738 1
1 361 . 6 1 1 A 38 38 GLU H H 38 8.347 8.634 -0.287 1
1 362 . 6 1 1 A 38 38 GLU CA C 38 57.138 54.461 2.677 1
1 363 . 6 1 1 A 38 38 GLU HA H 38 4.312 5.067 -0.755 1
1 364 . 6 1 1 A 38 38 GLU CB C 38 30.433 34.235 -3.802 1
1 370 . 6 1 1 A 38 38 GLU C C 38 176.848 174.713 2.135 1
1 371 . 6 1 1 A 39 39 THR N N 39 115.160 116.124 -0.964 1
1 372 . 6 1 1 A 39 39 THR H H 39 8.173 8.654 -0.481 1
1 373 . 6 1 1 A 39 39 THR CA C 39 61.834 60.279 1.555 1
1 374 . 6 1 1 A 39 39 THR HA H 39 4.376 4.987 -0.611 1
1 375 . 6 1 1 A 39 39 THR CB C 39 69.909 71.487 -1.578 1
1 381 . 6 1 1 A 39 39 THR C C 39 174.596 172.637 1.959 1
1 382 . 6 1 1 A 40 40 LEU N N 40 124.714 130.618 -5.904 1
1 383 . 6 1 1 A 40 40 LEU H H 40 8.266 9.018 -0.752 1
1 384 . 6 1 1 A 40 40 LEU CA C 40 55.357 54.110 1.247 1
1 385 . 6 1 1 A 40 40 LEU HA H 40 4.415 4.502 -0.087 1
1 386 . 6 1 1 A 40 40 LEU CB C 40 42.326 41.315 1.011 1
1 399 . 6 1 1 A 40 40 LEU C C 40 177.381 176.392 0.989 1
1 400 . 6 1 1 A 41 41 SER N N 41 116.335 122.979 -6.644 1
1 401 . 6 1 1 A 41 41 SER H H 41 8.278 8.407 -0.129 1
1 402 . 6 1 1 A 41 41 SER CA C 41 58.331 57.042 1.289 1
1 403 . 6 1 1 A 41 41 SER HA H 41 4.514 4.743 -0.229 1
1 404 . 6 1 1 A 41 41 SER CB C 41 63.988 64.082 -0.094 1
1 407 . 6 1 1 A 41 41 SER C C 41 174.478 173.204 1.274 1
1 408 . 6 1 1 A 42 42 GLY N N 42 110.674 110.088 0.586 1
1 409 . 6 1 1 A 42 42 GLY H H 42 8.181 7.808 0.373 1
1 410 . 6 1 1 A 42 42 GLY CA C 42 44.661 44.573 0.088 1
1 411 . 6 1 1 A 42 42 GLY HA2 H 42 4.176 4.245 -0.069 1
1 412 . 6 1 1 A 42 42 GLY HA3 H 42 4.100 4.245 -0.145 1
1 413 . 6 1 1 A 42 42 GLY C C 42 171.721 171.373 0.348 1
1 414 . 6 1 1 A 43 43 PRO CA C 43 63.345 62.877 0.468 1
1 415 . 6 1 1 A 43 43 PRO HA H 43 4.491 4.486 0.005 1
1 416 . 6 1 1 A 43 43 PRO CB C 43 32.228 32.112 0.116 1
1 1 . 7 1 1 A 9 9 GLY CA C 9 45.305 46.175 -0.870 1
1 2 . 7 1 1 A 9 9 GLY HA2 H 9 3.909 4.204 -0.295 1
1 3 . 7 1 1 A 9 9 GLY HA3 H 9 3.977 4.206 -0.229 1
1 4 . 7 1 1 A 9 9 GLY C C 9 174.027 171.251 2.776 1
1 5 . 7 1 1 A 10 10 GLU N N 10 120.322 121.384 -1.062 1
1 6 . 7 1 1 A 10 10 GLU H H 10 8.205 8.687 -0.482 1
1 7 . 7 1 1 A 10 10 GLU CA C 10 56.946 54.802 2.144 1
1 8 . 7 1 1 A 10 10 GLU HA H 10 4.186 5.069 -0.883 1
1 9 . 7 1 1 A 10 10 GLU CB C 10 30.386 33.657 -3.271 1
1 15 . 7 1 1 A 10 10 GLU C C 10 176.270 174.867 1.403 1
1 16 . 7 1 1 A 11 11 LYS N N 11 121.346 125.564 -4.218 1
1 17 . 7 1 1 A 11 11 LYS H H 11 8.235 8.668 -0.433 1
1 18 . 7 1 1 A 11 11 LYS CA C 11 53.873 54.269 -0.396 1
1 19 . 7 1 1 A 11 11 LYS HA H 11 4.584 4.558 0.026 1
1 20 . 7 1 1 A 11 11 LYS CB C 11 33.141 32.022 1.119 1
1 32 . 7 1 1 A 11 11 LYS C C 11 174.194 176.587 -2.393 1
1 33 . 7 1 1 A 12 12 PRO CA C 12 63.602 64.815 -1.213 1
1 34 . 7 1 1 A 12 12 PRO HA H 12 4.297 4.324 -0.027 1
1 35 . 7 1 1 A 12 12 PRO CB C 12 32.253 31.867 0.386 1
1 44 . 7 1 1 A 12 12 PRO C C 12 176.307 175.826 0.481 1
1 45 . 7 1 1 A 13 13 TYR N N 13 118.127 119.243 -1.116 1
1 46 . 7 1 1 A 13 13 TYR H H 13 7.888 7.443 0.445 1
1 47 . 7 1 1 A 13 13 TYR CA C 13 57.331 57.549 -0.218 1
1 48 . 7 1 1 A 13 13 TYR HA H 13 4.744 5.031 -0.287 1
1 49 . 7 1 1 A 13 13 TYR CB C 13 39.167 40.944 -1.777 1
1 60 . 7 1 1 A 13 13 TYR C C 13 175.007 175.447 -0.440 1
1 61 . 7 1 1 A 14 14 SER N N 14 117.730 114.865 2.865 1
1 62 . 7 1 1 A 14 14 SER H H 14 8.673 9.173 -0.500 1
1 63 . 7 1 1 A 14 14 SER CA C 14 57.166 57.515 -0.349 1
1 64 . 7 1 1 A 14 14 SER HA H 14 5.308 5.464 -0.156 1
1 65 . 7 1 1 A 14 14 SER CB C 14 65.510 66.419 -0.909 1
1 68 . 7 1 1 A 14 14 SER C C 14 173.013 172.145 0.868 1
1 69 . 7 1 1 A 15 15 CYS N N 15 125.795 121.648 4.147 1
1 70 . 7 1 1 A 15 15 CYS H H 15 9.205 9.160 0.045 1
1 71 . 7 1 1 A 15 15 CYS CA C 15 59.676 57.825 1.851 1
1 72 . 7 1 1 A 15 15 CYS HA H 15 4.541 5.064 -0.523 1
1 73 . 7 1 1 A 15 15 CYS CB C 15 29.996 29.842 0.154 1
1 76 . 7 1 1 A 15 15 CYS C C 15 177.406 176.238 1.168 1
1 77 . 7 1 1 A 16 16 ASN N N 16 130.048 122.811 7.237 1
1 78 . 7 1 1 A 16 16 ASN H H 16 9.338 8.597 0.741 1
1 79 . 7 1 1 A 16 16 ASN CA C 16 55.280 53.640 1.640 1
1 80 . 7 1 1 A 16 16 ASN HA H 16 4.549 4.727 -0.178 1
1 81 . 7 1 1 A 16 16 ASN CB C 16 37.925 39.592 -1.667 1
1 87 . 7 1 1 A 16 16 ASN C C 16 174.862 177.167 -2.305 1
1 88 . 7 1 1 A 17 17 VAL N N 17 123.044 120.130 2.914 1
1 89 . 7 1 1 A 17 17 VAL H H 17 9.097 7.374 1.723 1
1 90 . 7 1 1 A 17 17 VAL CA C 17 65.187 66.732 -1.545 1
1 91 . 7 1 1 A 17 17 VAL HA H 17 3.802 3.435 0.367 1
1 92 . 7 1 1 A 17 17 VAL CB C 17 32.789 31.194 1.595 1
1 102 . 7 1 1 A 17 17 VAL C C 17 177.200 177.361 -0.161 1
1 103 . 7 1 1 A 18 18 CYS N N 18 116.865 114.834 2.031 1
1 104 . 7 1 1 A 18 18 CYS H H 18 8.480 7.383 1.097 1
1 105 . 7 1 1 A 18 18 CYS CA C 18 58.318 59.402 -1.084 1
1 106 . 7 1 1 A 18 18 CYS HA H 18 5.171 4.652 0.519 1
1 107 . 7 1 1 A 18 18 CYS CB C 18 32.802 30.059 2.743 1
1 110 . 7 1 1 A 18 18 CYS C C 18 176.592 175.399 1.193 1
1 111 . 7 1 1 A 19 19 GLY N N 19 113.414 109.939 3.475 1
1 112 . 7 1 1 A 19 19 GLY H H 19 8.031 8.440 -0.409 1
1 113 . 7 1 1 A 19 19 GLY CA C 19 46.207 46.312 -0.105 1
1 114 . 7 1 1 A 19 19 GLY HA2 H 19 3.888 3.998 -0.110 1
1 115 . 7 1 1 A 19 19 GLY HA3 H 19 4.255 4.013 0.242 1
1 116 . 7 1 1 A 19 19 GLY C C 19 174.005 173.634 0.371 1
1 117 . 7 1 1 A 20 20 LYS N N 20 124.005 120.048 3.957 1
1 118 . 7 1 1 A 20 20 LYS H H 20 7.996 7.743 0.253 1
1 119 . 7 1 1 A 20 20 LYS CA C 20 58.589 54.539 4.050 1
1 120 . 7 1 1 A 20 20 LYS HA H 20 3.899 4.905 -1.006 1
1 121 . 7 1 1 A 20 20 LYS CB C 20 33.573 35.801 -2.228 1
1 133 . 7 1 1 A 20 20 LYS C C 20 173.550 174.217 -0.667 1
1 134 . 7 1 1 A 21 21 ALA N N 21 124.604 123.781 0.823 1
1 135 . 7 1 1 A 21 21 ALA H H 21 7.779 8.172 -0.393 1
1 136 . 7 1 1 A 21 21 ALA CA C 21 50.576 50.578 -0.002 1
1 137 . 7 1 1 A 21 21 ALA HA H 21 5.141 5.173 -0.032 1
1 138 . 7 1 1 A 21 21 ALA CB C 21 22.100 23.200 -1.100 1
1 142 . 7 1 1 A 21 21 ALA C C 21 176.396 174.848 1.548 1
1 143 . 7 1 1 A 22 22 PHE N N 22 116.766 117.244 -0.478 1
1 144 . 7 1 1 A 22 22 PHE H H 22 8.741 8.859 -0.118 1
1 145 . 7 1 1 A 22 22 PHE CA C 22 57.289 56.644 0.645 1
1 146 . 7 1 1 A 22 22 PHE HA H 22 4.820 5.028 -0.208 1
1 147 . 7 1 1 A 22 22 PHE CB C 22 44.102 43.504 0.598 1
1 160 . 7 1 1 A 22 22 PHE C C 22 174.919 175.712 -0.793 1
1 161 . 7 1 1 A 23 23 VAL N N 23 120.073 121.250 -1.177 1
1 162 . 7 1 1 A 23 23 VAL H H 23 9.112 8.885 0.227 1
1 163 . 7 1 1 A 23 23 VAL CA C 23 65.090 65.016 0.074 1
1 164 . 7 1 1 A 23 23 VAL HA H 23 4.199 4.246 -0.047 1
1 165 . 7 1 1 A 23 23 VAL CB C 23 32.938 32.806 0.132 1
1 175 . 7 1 1 A 23 23 VAL C C 23 175.563 176.744 -1.181 1
1 176 . 7 1 1 A 24 24 LEU N N 24 115.397 119.629 -4.232 1
1 177 . 7 1 1 A 24 24 LEU H H 24 7.329 8.344 -1.015 1
1 178 . 7 1 1 A 24 24 LEU CA C 24 52.640 53.217 -0.577 1
1 179 . 7 1 1 A 24 24 LEU HA H 24 4.798 4.806 -0.008 1
1 180 . 7 1 1 A 24 24 LEU CB C 24 43.962 44.037 -0.075 1
1 193 . 7 1 1 A 24 24 LEU C C 24 177.817 176.918 0.899 1
1 194 . 7 1 1 A 25 25 SER N N 25 121.327 116.829 4.498 1
1 195 . 7 1 1 A 25 25 SER H H 25 8.467 8.530 -0.063 1
1 196 . 7 1 1 A 25 25 SER CA C 25 60.968 60.681 0.287 1
1 197 . 7 1 1 A 25 25 SER HA H 25 3.074 3.068 0.006 1
1 198 . 7 1 1 A 25 25 SER CB C 25 61.619 62.378 -0.759 1
1 201 . 7 1 1 A 25 25 SER C C 25 177.184 176.440 0.744 1
1 202 . 7 1 1 A 26 26 ALA CA C 26 55.062 55.278 -0.216 1
1 203 . 7 1 1 A 26 26 ALA HA H 26 4.055 3.862 0.193 1
1 204 . 7 1 1 A 26 26 ALA CB C 26 18.357 18.115 0.242 1
1 208 . 7 1 1 A 26 26 ALA C C 26 180.290 179.822 0.468 1
1 209 . 7 1 1 A 27 27 HIS N N 27 115.252 116.242 -0.990 1
1 210 . 7 1 1 A 27 27 HIS H H 27 6.767 7.809 -1.042 1
1 211 . 7 1 1 A 27 27 HIS CA C 27 56.633 59.177 -2.544 1
1 212 . 7 1 1 A 27 27 HIS HA H 27 4.410 4.331 0.079 1
1 213 . 7 1 1 A 27 27 HIS CB C 27 31.638 29.811 1.827 1
1 220 . 7 1 1 A 27 27 HIS C C 27 178.478 177.570 0.908 1
1 221 . 7 1 1 A 28 28 LEU N N 28 122.106 120.418 1.688 1
1 222 . 7 1 1 A 28 28 LEU H H 28 6.996 7.838 -0.842 1
1 223 . 7 1 1 A 28 28 LEU CA C 28 57.746 57.365 0.381 1
1 224 . 7 1 1 A 28 28 LEU HA H 28 3.230 2.298 0.932 1
1 225 . 7 1 1 A 28 28 LEU CB C 28 39.918 41.319 -1.401 1
1 238 . 7 1 1 A 28 28 LEU C C 28 177.325 177.818 -0.493 1
1 239 . 7 1 1 A 29 29 ASN N N 29 116.979 117.230 -0.251 1
1 240 . 7 1 1 A 29 29 ASN H H 29 8.235 8.134 0.101 1
1 241 . 7 1 1 A 29 29 ASN CA C 29 56.666 56.731 -0.065 1
1 242 . 7 1 1 A 29 29 ASN HA H 29 4.311 4.237 0.074 1
1 243 . 7 1 1 A 29 29 ASN CB C 29 37.848 39.645 -1.797 1
1 249 . 7 1 1 A 29 29 ASN C C 29 177.975 177.604 0.371 1
1 250 . 7 1 1 A 30 30 GLN N N 30 117.598 117.445 0.153 1
1 251 . 7 1 1 A 30 30 GLN H H 30 7.545 8.294 -0.749 1
1 252 . 7 1 1 A 30 30 GLN CA C 30 58.522 58.987 -0.465 1
1 253 . 7 1 1 A 30 30 GLN HA H 30 4.017 3.971 0.046 1
1 254 . 7 1 1 A 30 30 GLN CB C 30 28.526 28.370 0.156 1
1 263 . 7 1 1 A 30 30 GLN C C 30 178.093 178.459 -0.366 1
1 264 . 7 1 1 A 31 31 HIS N N 31 120.149 121.561 -1.412 1
1 265 . 7 1 1 A 31 31 HIS H H 31 7.634 7.646 -0.012 1
1 266 . 7 1 1 A 31 31 HIS CA C 31 59.164 59.500 -0.336 1
1 267 . 7 1 1 A 31 31 HIS HA H 31 4.230 4.272 -0.042 1
1 268 . 7 1 1 A 31 31 HIS CB C 31 28.669 30.159 -1.490 1
1 275 . 7 1 1 A 31 31 HIS C C 31 176.050 176.744 -0.694 1
1 276 . 7 1 1 A 32 32 LEU N N 32 117.026 119.111 -2.085 1
1 277 . 7 1 1 A 32 32 LEU H H 32 8.303 8.428 -0.125 1
1 278 . 7 1 1 A 32 32 LEU CA C 32 58.266 57.876 0.390 1
1 279 . 7 1 1 A 32 32 LEU HA H 32 3.824 3.786 0.038 1
1 280 . 7 1 1 A 32 32 LEU CB C 32 42.032 41.479 0.553 1
1 293 . 7 1 1 A 32 32 LEU C C 32 178.896 179.130 -0.234 1
1 294 . 7 1 1 A 33 33 ARG N N 33 116.212 118.821 -2.609 1
1 295 . 7 1 1 A 33 33 ARG H H 33 7.064 8.280 -1.216 1
1 296 . 7 1 1 A 33 33 ARG CA C 33 58.296 59.707 -1.411 1
1 297 . 7 1 1 A 33 33 ARG HA H 33 4.101 3.869 0.232 1
1 298 . 7 1 1 A 33 33 ARG CB C 33 29.962 30.025 -0.063 1
1 307 . 7 1 1 A 33 33 ARG C C 33 178.559 178.625 -0.066 1
1 308 . 7 1 1 A 34 34 VAL N N 34 116.383 116.720 -0.337 1
1 309 . 7 1 1 A 34 34 VAL H H 34 7.963 7.692 0.271 1
1 310 . 7 1 1 A 34 34 VAL CA C 34 64.107 64.709 -0.602 1
1 311 . 7 1 1 A 34 34 VAL HA H 34 3.911 3.756 0.155 1
1 312 . 7 1 1 A 34 34 VAL CB C 34 31.048 31.062 -0.014 1
1 322 . 7 1 1 A 34 34 VAL C C 34 177.493 176.786 0.707 1
1 323 . 7 1 1 A 35 35 HIS N N 35 116.627 119.397 -2.770 1
1 324 . 7 1 1 A 35 35 HIS H H 35 7.182 7.939 -0.757 1
1 325 . 7 1 1 A 35 35 HIS CA C 35 55.246 55.030 0.216 1
1 326 . 7 1 1 A 35 35 HIS HA H 35 4.912 4.849 0.063 1
1 327 . 7 1 1 A 35 35 HIS CB C 35 28.593 28.826 -0.233 1
1 334 . 7 1 1 A 35 35 HIS C C 35 175.599 175.466 0.133 1
1 335 . 7 1 1 A 36 36 THR N N 36 113.157 115.145 -1.988 1
1 336 . 7 1 1 A 36 36 THR H H 36 7.751 7.581 0.170 1
1 337 . 7 1 1 A 36 36 THR CA C 36 62.698 61.093 1.605 1
1 338 . 7 1 1 A 36 36 THR HA H 36 4.345 4.488 -0.143 1
1 339 . 7 1 1 A 36 36 THR CB C 36 69.800 68.627 1.173 1
1 345 . 7 1 1 A 36 36 THR C C 36 174.754 173.958 0.796 1
1 346 . 7 1 1 A 37 37 GLN N N 37 121.531 122.275 -0.744 1
1 347 . 7 1 1 A 37 37 GLN H H 37 8.263 8.008 0.255 1
1 348 . 7 1 1 A 37 37 GLN CA C 37 56.362 56.674 -0.312 1
1 349 . 7 1 1 A 37 37 GLN HA H 37 4.337 4.061 0.276 1
1 350 . 7 1 1 A 37 37 GLN CB C 37 29.282 27.284 1.998 1
1 359 . 7 1 1 A 37 37 GLN C C 37 176.193 176.620 -0.427 1
1 360 . 7 1 1 A 38 38 GLU N N 38 121.589 119.859 1.730 1
1 361 . 7 1 1 A 38 38 GLU H H 38 8.347 8.067 0.280 1
1 362 . 7 1 1 A 38 38 GLU CA C 38 57.138 59.043 -1.905 1
1 363 . 7 1 1 A 38 38 GLU HA H 38 4.312 4.123 0.189 1
1 364 . 7 1 1 A 38 38 GLU CB C 38 30.433 29.283 1.150 1
1 370 . 7 1 1 A 38 38 GLU C C 38 176.848 176.343 0.505 1
1 371 . 7 1 1 A 39 39 THR N N 39 115.160 109.955 5.205 1
1 372 . 7 1 1 A 39 39 THR H H 39 8.173 7.935 0.238 1
1 373 . 7 1 1 A 39 39 THR CA C 39 61.834 60.109 1.725 1
1 374 . 7 1 1 A 39 39 THR HA H 39 4.376 4.933 -0.557 1
1 375 . 7 1 1 A 39 39 THR CB C 39 69.909 72.291 -2.382 1
1 381 . 7 1 1 A 39 39 THR C C 39 174.596 173.175 1.421 1
1 382 . 7 1 1 A 40 40 LEU N N 40 124.714 119.557 5.157 1
1 383 . 7 1 1 A 40 40 LEU H H 40 8.266 8.531 -0.265 1
1 384 . 7 1 1 A 40 40 LEU CA C 40 55.357 53.886 1.471 1
1 385 . 7 1 1 A 40 40 LEU HA H 40 4.415 4.854 -0.439 1
1 386 . 7 1 1 A 40 40 LEU CB C 40 42.326 43.152 -0.826 1
1 399 . 7 1 1 A 40 40 LEU C C 40 177.381 175.851 1.530 1
1 400 . 7 1 1 A 41 41 SER N N 41 116.335 118.845 -2.510 1
1 401 . 7 1 1 A 41 41 SER H H 41 8.278 8.868 -0.590 1
1 402 . 7 1 1 A 41 41 SER CA C 41 58.331 57.016 1.315 1
1 403 . 7 1 1 A 41 41 SER HA H 41 4.514 5.145 -0.631 1
1 404 . 7 1 1 A 41 41 SER CB C 41 63.988 66.043 -2.055 1
1 407 . 7 1 1 A 41 41 SER C C 41 174.478 172.840 1.638 1
1 408 . 7 1 1 A 42 42 GLY N N 42 110.674 112.451 -1.777 1
1 409 . 7 1 1 A 42 42 GLY H H 42 8.181 8.531 -0.350 1
1 410 . 7 1 1 A 42 42 GLY CA C 42 44.661 44.691 -0.030 1
1 411 . 7 1 1 A 42 42 GLY HA2 H 42 4.176 4.197 -0.021 1
1 412 . 7 1 1 A 42 42 GLY HA3 H 42 4.100 4.198 -0.098 1
1 413 . 7 1 1 A 42 42 GLY C C 42 171.721 173.976 -2.255 1
1 414 . 7 1 1 A 43 43 PRO CA C 43 63.345 64.283 -0.938 1
1 415 . 7 1 1 A 43 43 PRO HA H 43 4.491 4.486 0.005 1
1 416 . 7 1 1 A 43 43 PRO CB C 43 32.228 31.938 0.290 1
1 1 . 8 1 1 A 9 9 GLY CA C 9 45.305 45.539 -0.234 1
1 2 . 8 1 1 A 9 9 GLY HA2 H 9 3.909 4.047 -0.138 1
1 3 . 8 1 1 A 9 9 GLY HA3 H 9 3.977 4.050 -0.073 1
1 4 . 8 1 1 A 9 9 GLY C C 9 174.027 174.119 -0.092 1
1 5 . 8 1 1 A 10 10 GLU N N 10 120.322 119.696 0.626 1
1 6 . 8 1 1 A 10 10 GLU H H 10 8.205 8.171 0.034 1
1 7 . 8 1 1 A 10 10 GLU CA C 10 56.946 56.426 0.520 1
1 8 . 8 1 1 A 10 10 GLU HA H 10 4.186 4.335 -0.149 1
1 9 . 8 1 1 A 10 10 GLU CB C 10 30.386 30.039 0.347 1
1 15 . 8 1 1 A 10 10 GLU C C 10 176.270 175.967 0.303 1
1 16 . 8 1 1 A 11 11 LYS N N 11 121.346 122.536 -1.190 1
1 17 . 8 1 1 A 11 11 LYS H H 11 8.235 8.844 -0.609 1
1 18 . 8 1 1 A 11 11 LYS CA C 11 53.873 54.036 -0.163 1
1 19 . 8 1 1 A 11 11 LYS HA H 11 4.584 4.588 -0.004 1
1 20 . 8 1 1 A 11 11 LYS CB C 11 33.141 31.943 1.198 1
1 32 . 8 1 1 A 11 11 LYS C C 11 174.194 176.442 -2.248 1
1 33 . 8 1 1 A 12 12 PRO CA C 12 63.602 64.870 -1.268 1
1 34 . 8 1 1 A 12 12 PRO HA H 12 4.297 4.338 -0.041 1
1 35 . 8 1 1 A 12 12 PRO CB C 12 32.253 31.993 0.260 1
1 44 . 8 1 1 A 12 12 PRO C C 12 176.307 175.796 0.511 1
1 45 . 8 1 1 A 13 13 TYR N N 13 118.127 119.197 -1.070 1
1 46 . 8 1 1 A 13 13 TYR H H 13 7.888 7.485 0.403 1
1 47 . 8 1 1 A 13 13 TYR CA C 13 57.331 57.549 -0.218 1
1 48 . 8 1 1 A 13 13 TYR HA H 13 4.744 5.107 -0.363 1
1 49 . 8 1 1 A 13 13 TYR CB C 13 39.167 40.988 -1.821 1
1 60 . 8 1 1 A 13 13 TYR C C 13 175.007 175.335 -0.328 1
1 61 . 8 1 1 A 14 14 SER N N 14 117.730 115.027 2.703 1
1 62 . 8 1 1 A 14 14 SER H H 14 8.673 9.012 -0.339 1
1 63 . 8 1 1 A 14 14 SER CA C 14 57.166 57.243 -0.077 1
1 64 . 8 1 1 A 14 14 SER HA H 14 5.308 5.297 0.011 1
1 65 . 8 1 1 A 14 14 SER CB C 14 65.510 66.307 -0.797 1
1 68 . 8 1 1 A 14 14 SER C C 14 173.013 172.453 0.560 1
1 69 . 8 1 1 A 15 15 CYS N N 15 125.795 122.617 3.178 1
1 70 . 8 1 1 A 15 15 CYS H H 15 9.205 9.159 0.046 1
1 71 . 8 1 1 A 15 15 CYS CA C 15 59.676 57.988 1.688 1
1 72 . 8 1 1 A 15 15 CYS HA H 15 4.541 4.922 -0.381 1
1 73 . 8 1 1 A 15 15 CYS CB C 15 29.996 29.346 0.650 1
1 76 . 8 1 1 A 15 15 CYS C C 15 177.406 175.875 1.531 1
1 77 . 8 1 1 A 16 16 ASN N N 16 130.048 122.589 7.459 1
1 78 . 8 1 1 A 16 16 ASN H H 16 9.338 8.967 0.371 1
1 79 . 8 1 1 A 16 16 ASN CA C 16 55.280 53.057 2.223 1
1 80 . 8 1 1 A 16 16 ASN HA H 16 4.549 4.898 -0.349 1
1 81 . 8 1 1 A 16 16 ASN CB C 16 37.925 38.130 -0.205 1
1 87 . 8 1 1 A 16 16 ASN C C 16 174.862 174.544 0.318 1
1 88 . 8 1 1 A 17 17 VAL N N 17 123.044 117.510 5.534 1
1 89 . 8 1 1 A 17 17 VAL H H 17 9.097 8.059 1.038 1
1 90 . 8 1 1 A 17 17 VAL CA C 17 65.187 63.551 1.636 1
1 91 . 8 1 1 A 17 17 VAL HA H 17 3.802 4.198 -0.396 1
1 92 . 8 1 1 A 17 17 VAL CB C 17 32.789 33.687 -0.898 1
1 102 . 8 1 1 A 17 17 VAL C C 17 177.200 177.274 -0.074 1
1 103 . 8 1 1 A 18 18 CYS N N 18 116.865 115.600 1.265 1
1 104 . 8 1 1 A 18 18 CYS H H 18 8.480 7.595 0.885 1
1 105 . 8 1 1 A 18 18 CYS CA C 18 58.318 59.349 -1.031 1
1 106 . 8 1 1 A 18 18 CYS HA H 18 5.171 4.656 0.515 1
1 107 . 8 1 1 A 18 18 CYS CB C 18 32.802 29.865 2.937 1
1 110 . 8 1 1 A 18 18 CYS C C 18 176.592 175.257 1.335 1
1 111 . 8 1 1 A 19 19 GLY N N 19 113.414 109.640 3.774 1
1 112 . 8 1 1 A 19 19 GLY H H 19 8.031 8.224 -0.193 1
1 113 . 8 1 1 A 19 19 GLY CA C 19 46.207 45.834 0.373 1
1 114 . 8 1 1 A 19 19 GLY HA2 H 19 3.888 4.064 -0.176 1
1 115 . 8 1 1 A 19 19 GLY HA3 H 19 4.255 4.074 0.181 1
1 116 . 8 1 1 A 19 19 GLY C C 19 174.005 173.698 0.307 1
1 117 . 8 1 1 A 20 20 LYS N N 20 124.005 120.212 3.793 1
1 118 . 8 1 1 A 20 20 LYS H H 20 7.996 7.844 0.152 1
1 119 . 8 1 1 A 20 20 LYS CA C 20 58.589 54.595 3.994 1
1 120 . 8 1 1 A 20 20 LYS HA H 20 3.899 4.869 -0.970 1
1 121 . 8 1 1 A 20 20 LYS CB C 20 33.573 35.819 -2.246 1
1 133 . 8 1 1 A 20 20 LYS C C 20 173.550 174.181 -0.631 1
1 134 . 8 1 1 A 21 21 ALA N N 21 124.604 123.755 0.849 1
1 135 . 8 1 1 A 21 21 ALA H H 21 7.779 8.271 -0.492 1
1 136 . 8 1 1 A 21 21 ALA CA C 21 50.576 50.575 0.001 1
1 137 . 8 1 1 A 21 21 ALA HA H 21 5.141 5.100 0.041 1
1 138 . 8 1 1 A 21 21 ALA CB C 21 22.100 22.811 -0.711 1
1 142 . 8 1 1 A 21 21 ALA C C 21 176.396 174.681 1.715 1
1 143 . 8 1 1 A 22 22 PHE N N 22 116.766 117.937 -1.171 1
1 144 . 8 1 1 A 22 22 PHE H H 22 8.741 8.935 -0.194 1
1 145 . 8 1 1 A 22 22 PHE CA C 22 57.289 56.862 0.427 1
1 146 . 8 1 1 A 22 22 PHE HA H 22 4.820 4.916 -0.096 1
1 147 . 8 1 1 A 22 22 PHE CB C 22 44.102 43.786 0.316 1
1 160 . 8 1 1 A 22 22 PHE C C 22 174.919 175.901 -0.982 1
1 161 . 8 1 1 A 23 23 VAL N N 23 120.073 121.462 -1.389 1
1 162 . 8 1 1 A 23 23 VAL H H 23 9.112 8.756 0.356 1
1 163 . 8 1 1 A 23 23 VAL CA C 23 65.090 65.081 0.009 1
1 164 . 8 1 1 A 23 23 VAL HA H 23 4.199 4.250 -0.051 1
1 165 . 8 1 1 A 23 23 VAL CB C 23 32.938 32.662 0.276 1
1 175 . 8 1 1 A 23 23 VAL C C 23 175.563 176.558 -0.995 1
1 176 . 8 1 1 A 24 24 LEU N N 24 115.397 119.611 -4.214 1
1 177 . 8 1 1 A 24 24 LEU H H 24 7.329 8.073 -0.744 1
1 178 . 8 1 1 A 24 24 LEU CA C 24 52.640 52.840 -0.200 1
1 179 . 8 1 1 A 24 24 LEU HA H 24 4.798 4.752 0.046 1
1 180 . 8 1 1 A 24 24 LEU CB C 24 43.962 44.189 -0.227 1
1 193 . 8 1 1 A 24 24 LEU C C 24 177.817 176.700 1.117 1
1 194 . 8 1 1 A 25 25 SER N N 25 121.327 115.733 5.594 1
1 195 . 8 1 1 A 25 25 SER H H 25 8.467 8.517 -0.050 1
1 196 . 8 1 1 A 25 25 SER CA C 25 60.968 60.820 0.148 1
1 197 . 8 1 1 A 25 25 SER HA H 25 3.074 3.043 0.031 1
1 198 . 8 1 1 A 25 25 SER CB C 25 61.619 62.282 -0.663 1
1 201 . 8 1 1 A 25 25 SER C C 25 177.184 175.970 1.214 1
1 202 . 8 1 1 A 26 26 ALA CA C 26 55.062 55.266 -0.204 1
1 203 . 8 1 1 A 26 26 ALA HA H 26 4.055 3.871 0.184 1
1 204 . 8 1 1 A 26 26 ALA CB C 26 18.357 18.086 0.271 1
1 208 . 8 1 1 A 26 26 ALA C C 26 180.290 179.738 0.552 1
1 209 . 8 1 1 A 27 27 HIS N N 27 115.252 116.140 -0.888 1
1 210 . 8 1 1 A 27 27 HIS H H 27 6.767 7.740 -0.973 1
1 211 . 8 1 1 A 27 27 HIS CA C 27 56.633 59.336 -2.703 1
1 212 . 8 1 1 A 27 27 HIS HA H 27 4.410 4.288 0.122 1
1 213 . 8 1 1 A 27 27 HIS CB C 27 31.638 29.873 1.765 1
1 220 . 8 1 1 A 27 27 HIS C C 27 178.478 177.486 0.992 1
1 221 . 8 1 1 A 28 28 LEU N N 28 122.106 120.208 1.898 1
1 222 . 8 1 1 A 28 28 LEU H H 28 6.996 7.833 -0.837 1
1 223 . 8 1 1 A 28 28 LEU CA C 28 57.746 57.388 0.358 1
1 224 . 8 1 1 A 28 28 LEU HA H 28 3.230 2.200 1.030 1
1 225 . 8 1 1 A 28 28 LEU CB C 28 39.918 41.288 -1.370 1
1 238 . 8 1 1 A 28 28 LEU C C 28 177.325 177.981 -0.656 1
1 239 . 8 1 1 A 29 29 ASN N N 29 116.979 117.222 -0.243 1
1 240 . 8 1 1 A 29 29 ASN H H 29 8.235 8.237 -0.002 1
1 241 . 8 1 1 A 29 29 ASN CA C 29 56.666 56.633 0.033 1
1 242 . 8 1 1 A 29 29 ASN HA H 29 4.311 4.253 0.058 1
1 243 . 8 1 1 A 29 29 ASN CB C 29 37.848 39.455 -1.607 1
1 249 . 8 1 1 A 29 29 ASN C C 29 177.975 177.693 0.282 1
1 250 . 8 1 1 A 30 30 GLN N N 30 117.598 116.695 0.903 1
1 251 . 8 1 1 A 30 30 GLN H H 30 7.545 8.303 -0.758 1
1 252 . 8 1 1 A 30 30 GLN CA C 30 58.522 58.578 -0.056 1
1 253 . 8 1 1 A 30 30 GLN HA H 30 4.017 4.012 0.005 1
1 254 . 8 1 1 A 30 30 GLN CB C 30 28.526 28.626 -0.100 1
1 263 . 8 1 1 A 30 30 GLN C C 30 178.093 178.326 -0.233 1
1 264 . 8 1 1 A 31 31 HIS N N 31 120.149 121.529 -1.380 1
1 265 . 8 1 1 A 31 31 HIS H H 31 7.634 7.601 0.033 1
1 266 . 8 1 1 A 31 31 HIS CA C 31 59.164 59.411 -0.247 1
1 267 . 8 1 1 A 31 31 HIS HA H 31 4.230 4.249 -0.019 1
1 268 . 8 1 1 A 31 31 HIS CB C 31 28.669 29.897 -1.228 1
1 275 . 8 1 1 A 31 31 HIS C C 31 176.050 176.998 -0.948 1
1 276 . 8 1 1 A 32 32 LEU N N 32 117.026 119.150 -2.124 1
1 277 . 8 1 1 A 32 32 LEU H H 32 8.303 8.273 0.030 1
1 278 . 8 1 1 A 32 32 LEU CA C 32 58.266 58.018 0.248 1
1 279 . 8 1 1 A 32 32 LEU HA H 32 3.824 3.749 0.075 1
1 280 . 8 1 1 A 32 32 LEU CB C 32 42.032 41.593 0.439 1
1 293 . 8 1 1 A 32 32 LEU C C 32 178.896 179.028 -0.132 1
1 294 . 8 1 1 A 33 33 ARG N N 33 116.212 118.838 -2.626 1
1 295 . 8 1 1 A 33 33 ARG H H 33 7.064 7.717 -0.653 1
1 296 . 8 1 1 A 33 33 ARG CA C 33 58.296 59.887 -1.591 1
1 297 . 8 1 1 A 33 33 ARG HA H 33 4.101 3.875 0.226 1
1 298 . 8 1 1 A 33 33 ARG CB C 33 29.962 29.694 0.268 1
1 307 . 8 1 1 A 33 33 ARG C C 33 178.559 178.752 -0.193 1
1 308 . 8 1 1 A 34 34 VAL N N 34 116.383 117.166 -0.783 1
1 309 . 8 1 1 A 34 34 VAL H H 34 7.963 7.774 0.189 1
1 310 . 8 1 1 A 34 34 VAL CA C 34 64.107 65.069 -0.962 1
1 311 . 8 1 1 A 34 34 VAL HA H 34 3.911 3.716 0.195 1
1 312 . 8 1 1 A 34 34 VAL CB C 34 31.048 31.135 -0.087 1
1 322 . 8 1 1 A 34 34 VAL C C 34 177.493 176.771 0.722 1
1 323 . 8 1 1 A 35 35 HIS N N 35 116.627 119.507 -2.880 1
1 324 . 8 1 1 A 35 35 HIS H H 35 7.182 7.868 -0.686 1
1 325 . 8 1 1 A 35 35 HIS CA C 35 55.246 54.974 0.272 1
1 326 . 8 1 1 A 35 35 HIS HA H 35 4.912 4.680 0.232 1
1 327 . 8 1 1 A 35 35 HIS CB C 35 28.593 28.788 -0.195 1
1 334 . 8 1 1 A 35 35 HIS C C 35 175.599 175.500 0.099 1
1 335 . 8 1 1 A 36 36 THR N N 36 113.157 114.338 -1.181 1
1 336 . 8 1 1 A 36 36 THR H H 36 7.751 7.436 0.315 1
1 337 . 8 1 1 A 36 36 THR CA C 36 62.698 61.227 1.471 1
1 338 . 8 1 1 A 36 36 THR HA H 36 4.345 4.386 -0.041 1
1 339 . 8 1 1 A 36 36 THR CB C 36 69.800 69.112 0.688 1
1 345 . 8 1 1 A 36 36 THR C C 36 174.754 173.526 1.228 1
1 346 . 8 1 1 A 37 37 GLN N N 37 121.531 119.327 2.204 1
1 347 . 8 1 1 A 37 37 GLN H H 37 8.263 7.648 0.615 1
1 348 . 8 1 1 A 37 37 GLN CA C 37 56.362 54.879 1.483 1
1 349 . 8 1 1 A 37 37 GLN HA H 37 4.337 4.537 -0.200 1
1 350 . 8 1 1 A 37 37 GLN CB C 37 29.282 30.704 -1.422 1
1 359 . 8 1 1 A 37 37 GLN C C 37 176.193 173.122 3.071 1
1 360 . 8 1 1 A 38 38 GLU N N 38 121.589 119.665 1.924 1
1 361 . 8 1 1 A 38 38 GLU H H 38 8.347 8.626 -0.279 1
1 362 . 8 1 1 A 38 38 GLU CA C 38 57.138 54.826 2.312 1
1 363 . 8 1 1 A 38 38 GLU HA H 38 4.312 5.203 -0.891 1
1 364 . 8 1 1 A 38 38 GLU CB C 38 30.433 32.622 -2.189 1
1 370 . 8 1 1 A 38 38 GLU C C 38 176.848 176.176 0.672 1
1 371 . 8 1 1 A 39 39 THR N N 39 115.160 112.538 2.622 1
1 372 . 8 1 1 A 39 39 THR H H 39 8.173 8.796 -0.623 1
1 373 . 8 1 1 A 39 39 THR CA C 39 61.834 59.395 2.439 1
1 374 . 8 1 1 A 39 39 THR HA H 39 4.376 4.974 -0.598 1
1 375 . 8 1 1 A 39 39 THR CB C 39 69.909 71.507 -1.598 1
1 381 . 8 1 1 A 39 39 THR C C 39 174.596 173.754 0.842 1
1 382 . 8 1 1 A 40 40 LEU N N 40 124.714 119.762 4.952 1
1 383 . 8 1 1 A 40 40 LEU H H 40 8.266 8.338 -0.072 1
1 384 . 8 1 1 A 40 40 LEU CA C 40 55.357 55.359 -0.002 1
1 385 . 8 1 1 A 40 40 LEU HA H 40 4.415 4.193 0.222 1
1 386 . 8 1 1 A 40 40 LEU CB C 40 42.326 42.456 -0.130 1
1 399 . 8 1 1 A 40 40 LEU C C 40 177.381 176.938 0.443 1
1 400 . 8 1 1 A 41 41 SER N N 41 116.335 115.716 0.619 1
1 401 . 8 1 1 A 41 41 SER H H 41 8.278 8.431 -0.153 1
1 402 . 8 1 1 A 41 41 SER CA C 41 58.331 56.985 1.346 1
1 403 . 8 1 1 A 41 41 SER HA H 41 4.514 4.817 -0.303 1
1 404 . 8 1 1 A 41 41 SER CB C 41 63.988 65.073 -1.085 1
1 407 . 8 1 1 A 41 41 SER C C 41 174.478 175.107 -0.629 1
1 408 . 8 1 1 A 42 42 GLY N N 42 110.674 108.449 2.225 1
1 409 . 8 1 1 A 42 42 GLY H H 42 8.181 8.442 -0.261 1
1 410 . 8 1 1 A 42 42 GLY CA C 42 44.661 44.348 0.313 1
1 411 . 8 1 1 A 42 42 GLY HA2 H 42 4.176 4.066 0.110 1
1 412 . 8 1 1 A 42 42 GLY HA3 H 42 4.100 4.066 0.034 1
1 413 . 8 1 1 A 42 42 GLY C C 42 171.721 175.103 -3.382 1
1 414 . 8 1 1 A 43 43 PRO CA C 43 63.345 64.072 -0.727 1
1 415 . 8 1 1 A 43 43 PRO HA H 43 4.491 4.535 -0.044 1
1 416 . 8 1 1 A 43 43 PRO CB C 43 32.228 31.721 0.507 1
1 1 . 9 1 1 A 9 9 GLY CA C 9 45.305 43.998 1.307 1
1 2 . 9 1 1 A 9 9 GLY HA2 H 9 3.909 4.057 -0.148 1
1 3 . 9 1 1 A 9 9 GLY HA3 H 9 3.977 4.059 -0.082 1
1 4 . 9 1 1 A 9 9 GLY C C 9 174.027 172.736 1.291 1
1 5 . 9 1 1 A 10 10 GLU N N 10 120.322 119.848 0.474 1
1 6 . 9 1 1 A 10 10 GLU H H 10 8.205 8.496 -0.291 1
1 7 . 9 1 1 A 10 10 GLU CA C 10 56.946 54.655 2.291 1
1 8 . 9 1 1 A 10 10 GLU HA H 10 4.186 5.069 -0.883 1
1 9 . 9 1 1 A 10 10 GLU CB C 10 30.386 33.852 -3.466 1
1 15 . 9 1 1 A 10 10 GLU C C 10 176.270 175.350 0.920 1
1 16 . 9 1 1 A 11 11 LYS N N 11 121.346 123.342 -1.996 1
1 17 . 9 1 1 A 11 11 LYS H H 11 8.235 8.671 -0.436 1
1 18 . 9 1 1 A 11 11 LYS CA C 11 53.873 53.962 -0.089 1
1 19 . 9 1 1 A 11 11 LYS HA H 11 4.584 4.592 -0.008 1
1 20 . 9 1 1 A 11 11 LYS CB C 11 33.141 31.859 1.282 1
1 32 . 9 1 1 A 11 11 LYS C C 11 174.194 176.404 -2.210 1
1 33 . 9 1 1 A 12 12 PRO CA C 12 63.602 64.731 -1.129 1
1 34 . 9 1 1 A 12 12 PRO HA H 12 4.297 4.338 -0.041 1
1 35 . 9 1 1 A 12 12 PRO CB C 12 32.253 31.934 0.319 1
1 44 . 9 1 1 A 12 12 PRO C C 12 176.307 175.798 0.509 1
1 45 . 9 1 1 A 13 13 TYR N N 13 118.127 119.180 -1.053 1
1 46 . 9 1 1 A 13 13 TYR H H 13 7.888 7.374 0.514 1
1 47 . 9 1 1 A 13 13 TYR CA C 13 57.331 57.188 0.143 1
1 48 . 9 1 1 A 13 13 TYR HA H 13 4.744 5.123 -0.379 1
1 49 . 9 1 1 A 13 13 TYR CB C 13 39.167 41.236 -2.069 1
1 60 . 9 1 1 A 13 13 TYR C C 13 175.007 175.069 -0.062 1
1 61 . 9 1 1 A 14 14 SER N N 14 117.730 114.644 3.086 1
1 62 . 9 1 1 A 14 14 SER H H 14 8.673 9.035 -0.362 1
1 63 . 9 1 1 A 14 14 SER CA C 14 57.166 57.636 -0.470 1
1 64 . 9 1 1 A 14 14 SER HA H 14 5.308 5.424 -0.116 1
1 65 . 9 1 1 A 14 14 SER CB C 14 65.510 66.549 -1.039 1
1 68 . 9 1 1 A 14 14 SER C C 14 173.013 172.509 0.504 1
1 69 . 9 1 1 A 15 15 CYS N N 15 125.795 124.551 1.244 1
1 70 . 9 1 1 A 15 15 CYS H H 15 9.205 8.940 0.265 1
1 71 . 9 1 1 A 15 15 CYS CA C 15 59.676 59.351 0.325 1
1 72 . 9 1 1 A 15 15 CYS HA H 15 4.541 4.688 -0.147 1
1 73 . 9 1 1 A 15 15 CYS CB C 15 29.996 28.386 1.610 1
1 76 . 9 1 1 A 15 15 CYS C C 15 177.406 176.125 1.281 1
1 77 . 9 1 1 A 16 16 ASN N N 16 130.048 123.228 6.820 1
1 78 . 9 1 1 A 16 16 ASN H H 16 9.338 8.530 0.808 1
1 79 . 9 1 1 A 16 16 ASN CA C 16 55.280 53.734 1.546 1
1 80 . 9 1 1 A 16 16 ASN HA H 16 4.549 4.743 -0.194 1
1 81 . 9 1 1 A 16 16 ASN CB C 16 37.925 39.598 -1.673 1
1 87 . 9 1 1 A 16 16 ASN C C 16 174.862 177.145 -2.283 1
1 88 . 9 1 1 A 17 17 VAL N N 17 123.044 120.125 2.919 1
1 89 . 9 1 1 A 17 17 VAL H H 17 9.097 7.832 1.265 1
1 90 . 9 1 1 A 17 17 VAL CA C 17 65.187 66.747 -1.560 1
1 91 . 9 1 1 A 17 17 VAL HA H 17 3.802 3.485 0.317 1
1 92 . 9 1 1 A 17 17 VAL CB C 17 32.789 31.414 1.375 1
1 102 . 9 1 1 A 17 17 VAL C C 17 177.200 177.316 -0.116 1
1 103 . 9 1 1 A 18 18 CYS N N 18 116.865 114.715 2.150 1
1 104 . 9 1 1 A 18 18 CYS H H 18 8.480 7.472 1.008 1
1 105 . 9 1 1 A 18 18 CYS CA C 18 58.318 59.320 -1.002 1
1 106 . 9 1 1 A 18 18 CYS HA H 18 5.171 4.678 0.493 1
1 107 . 9 1 1 A 18 18 CYS CB C 18 32.802 30.164 2.638 1
1 110 . 9 1 1 A 18 18 CYS C C 18 176.592 175.483 1.109 1
1 111 . 9 1 1 A 19 19 GLY N N 19 113.414 109.847 3.567 1
1 112 . 9 1 1 A 19 19 GLY H H 19 8.031 8.474 -0.443 1
1 113 . 9 1 1 A 19 19 GLY CA C 19 46.207 45.725 0.482 1
1 114 . 9 1 1 A 19 19 GLY HA2 H 19 3.888 4.003 -0.115 1
1 115 . 9 1 1 A 19 19 GLY HA3 H 19 4.255 4.013 0.242 1
1 116 . 9 1 1 A 19 19 GLY C C 19 174.005 173.590 0.415 1
1 117 . 9 1 1 A 20 20 LYS N N 20 124.005 122.862 1.143 1
1 118 . 9 1 1 A 20 20 LYS H H 20 7.996 7.589 0.407 1
1 119 . 9 1 1 A 20 20 LYS CA C 20 58.589 54.561 4.028 1
1 120 . 9 1 1 A 20 20 LYS HA H 20 3.899 4.808 -0.909 1
1 121 . 9 1 1 A 20 20 LYS CB C 20 33.573 34.820 -1.247 1
1 133 . 9 1 1 A 20 20 LYS C C 20 173.550 174.185 -0.635 1
1 134 . 9 1 1 A 21 21 ALA N N 21 124.604 123.531 1.073 1
1 135 . 9 1 1 A 21 21 ALA H H 21 7.779 8.114 -0.335 1
1 136 . 9 1 1 A 21 21 ALA CA C 21 50.576 51.219 -0.643 1
1 137 . 9 1 1 A 21 21 ALA HA H 21 5.141 5.068 0.073 1
1 138 . 9 1 1 A 21 21 ALA CB C 21 22.100 22.450 -0.350 1
1 142 . 9 1 1 A 21 21 ALA C C 21 176.396 175.031 1.365 1
1 143 . 9 1 1 A 22 22 PHE N N 22 116.766 119.141 -2.375 1
1 144 . 9 1 1 A 22 22 PHE H H 22 8.741 8.822 -0.081 1
1 145 . 9 1 1 A 22 22 PHE CA C 22 57.289 56.648 0.641 1
1 146 . 9 1 1 A 22 22 PHE HA H 22 4.820 5.074 -0.254 1
1 147 . 9 1 1 A 22 22 PHE CB C 22 44.102 43.876 0.226 1
1 160 . 9 1 1 A 22 22 PHE C C 22 174.919 175.761 -0.842 1
1 161 . 9 1 1 A 23 23 VAL N N 23 120.073 121.109 -1.036 1
1 162 . 9 1 1 A 23 23 VAL H H 23 9.112 8.934 0.178 1
1 163 . 9 1 1 A 23 23 VAL CA C 23 65.090 64.563 0.527 1
1 164 . 9 1 1 A 23 23 VAL HA H 23 4.199 4.261 -0.062 1
1 165 . 9 1 1 A 23 23 VAL CB C 23 32.938 32.812 0.126 1
1 175 . 9 1 1 A 23 23 VAL C C 23 175.563 176.548 -0.985 1
1 176 . 9 1 1 A 24 24 LEU N N 24 115.397 119.626 -4.229 1
1 177 . 9 1 1 A 24 24 LEU H H 24 7.329 8.225 -0.896 1
1 178 . 9 1 1 A 24 24 LEU CA C 24 52.640 53.215 -0.575 1
1 179 . 9 1 1 A 24 24 LEU HA H 24 4.798 4.860 -0.062 1
1 180 . 9 1 1 A 24 24 LEU CB C 24 43.962 44.059 -0.097 1
1 193 . 9 1 1 A 24 24 LEU C C 24 177.817 176.933 0.884 1
1 194 . 9 1 1 A 25 25 SER N N 25 121.327 116.102 5.225 1
1 195 . 9 1 1 A 25 25 SER H H 25 8.467 8.713 -0.246 1
1 196 . 9 1 1 A 25 25 SER CA C 25 60.968 61.002 -0.034 1
1 197 . 9 1 1 A 25 25 SER HA H 25 3.074 2.860 0.214 1
1 198 . 9 1 1 A 25 25 SER CB C 25 61.619 62.084 -0.465 1
1 201 . 9 1 1 A 25 25 SER C C 25 177.184 176.039 1.145 1
1 202 . 9 1 1 A 26 26 ALA CA C 26 55.062 55.201 -0.139 1
1 203 . 9 1 1 A 26 26 ALA HA H 26 4.055 3.851 0.204 1
1 204 . 9 1 1 A 26 26 ALA CB C 26 18.357 18.357 0.000 1
1 208 . 9 1 1 A 26 26 ALA C C 26 180.290 179.810 0.480 1
1 209 . 9 1 1 A 27 27 HIS N N 27 115.252 116.132 -0.880 1
1 210 . 9 1 1 A 27 27 HIS H H 27 6.767 7.866 -1.099 1
1 211 . 9 1 1 A 27 27 HIS CA C 27 56.633 58.992 -2.359 1
1 212 . 9 1 1 A 27 27 HIS HA H 27 4.410 4.189 0.221 1
1 213 . 9 1 1 A 27 27 HIS CB C 27 31.638 29.695 1.943 1
1 220 . 9 1 1 A 27 27 HIS C C 27 178.478 177.367 1.111 1
1 221 . 9 1 1 A 28 28 LEU N N 28 122.106 120.579 1.527 1
1 222 . 9 1 1 A 28 28 LEU H H 28 6.996 7.781 -0.785 1
1 223 . 9 1 1 A 28 28 LEU CA C 28 57.746 57.656 0.090 1
1 224 . 9 1 1 A 28 28 LEU HA H 28 3.230 2.803 0.427 1
1 225 . 9 1 1 A 28 28 LEU CB C 28 39.918 41.352 -1.434 1
1 238 . 9 1 1 A 28 28 LEU C C 28 177.325 178.247 -0.922 1
1 239 . 9 1 1 A 29 29 ASN N N 29 116.979 116.001 0.978 1
1 240 . 9 1 1 A 29 29 ASN H H 29 8.235 8.366 -0.131 1
1 241 . 9 1 1 A 29 29 ASN CA C 29 56.666 56.360 0.306 1
1 242 . 9 1 1 A 29 29 ASN HA H 29 4.311 4.355 -0.044 1
1 243 . 9 1 1 A 29 29 ASN CB C 29 37.848 38.056 -0.208 1
1 249 . 9 1 1 A 29 29 ASN C C 29 177.975 178.006 -0.031 1
1 250 . 9 1 1 A 30 30 GLN N N 30 117.598 117.954 -0.356 1
1 251 . 9 1 1 A 30 30 GLN H H 30 7.545 8.254 -0.709 1
1 252 . 9 1 1 A 30 30 GLN CA C 30 58.522 59.043 -0.521 1
1 253 . 9 1 1 A 30 30 GLN HA H 30 4.017 3.955 0.062 1
1 254 . 9 1 1 A 30 30 GLN CB C 30 28.526 28.121 0.405 1
1 263 . 9 1 1 A 30 30 GLN C C 30 178.093 178.524 -0.431 1
1 264 . 9 1 1 A 31 31 HIS N N 31 120.149 120.283 -0.134 1
1 265 . 9 1 1 A 31 31 HIS H H 31 7.634 7.371 0.263 1
1 266 . 9 1 1 A 31 31 HIS CA C 31 59.164 59.659 -0.495 1
1 267 . 9 1 1 A 31 31 HIS HA H 31 4.230 4.268 -0.038 1
1 268 . 9 1 1 A 31 31 HIS CB C 31 28.669 30.328 -1.659 1
1 275 . 9 1 1 A 31 31 HIS C C 31 176.050 176.955 -0.905 1
1 276 . 9 1 1 A 32 32 LEU N N 32 117.026 119.058 -2.032 1
1 277 . 9 1 1 A 32 32 LEU H H 32 8.303 8.420 -0.117 1
1 278 . 9 1 1 A 32 32 LEU CA C 32 58.266 57.707 0.559 1
1 279 . 9 1 1 A 32 32 LEU HA H 32 3.824 3.820 0.004 1
1 280 . 9 1 1 A 32 32 LEU CB C 32 42.032 41.599 0.433 1
1 293 . 9 1 1 A 32 32 LEU C C 32 178.896 179.089 -0.193 1
1 294 . 9 1 1 A 33 33 ARG N N 33 116.212 119.517 -3.305 1
1 295 . 9 1 1 A 33 33 ARG H H 33 7.064 8.318 -1.254 1
1 296 . 9 1 1 A 33 33 ARG CA C 33 58.296 59.753 -1.457 1
1 297 . 9 1 1 A 33 33 ARG HA H 33 4.101 3.955 0.146 1
1 298 . 9 1 1 A 33 33 ARG CB C 33 29.962 29.818 0.144 1
1 307 . 9 1 1 A 33 33 ARG C C 33 178.559 178.930 -0.371 1
1 308 . 9 1 1 A 34 34 VAL N N 34 116.383 117.163 -0.780 1
1 309 . 9 1 1 A 34 34 VAL H H 34 7.963 7.702 0.261 1
1 310 . 9 1 1 A 34 34 VAL CA C 34 64.107 64.607 -0.500 1
1 311 . 9 1 1 A 34 34 VAL HA H 34 3.911 3.736 0.175 1
1 312 . 9 1 1 A 34 34 VAL CB C 34 31.048 31.100 -0.052 1
1 322 . 9 1 1 A 34 34 VAL C C 34 177.493 176.759 0.734 1
1 323 . 9 1 1 A 35 35 HIS N N 35 116.627 119.385 -2.758 1
1 324 . 9 1 1 A 35 35 HIS H H 35 7.182 7.694 -0.512 1
1 325 . 9 1 1 A 35 35 HIS CA C 35 55.246 54.799 0.447 1
1 326 . 9 1 1 A 35 35 HIS HA H 35 4.912 4.732 0.180 1
1 327 . 9 1 1 A 35 35 HIS CB C 35 28.593 28.612 -0.019 1
1 334 . 9 1 1 A 35 35 HIS C C 35 175.599 175.693 -0.094 1
1 335 . 9 1 1 A 36 36 THR N N 36 113.157 114.163 -1.006 1
1 336 . 9 1 1 A 36 36 THR H H 36 7.751 7.621 0.130 1
1 337 . 9 1 1 A 36 36 THR CA C 36 62.698 63.163 -0.465 1
1 338 . 9 1 1 A 36 36 THR HA H 36 4.345 4.316 0.029 1
1 339 . 9 1 1 A 36 36 THR CB C 36 69.800 69.781 0.019 1
1 345 . 9 1 1 A 36 36 THR C C 36 174.754 174.065 0.689 1
1 346 . 9 1 1 A 37 37 GLN N N 37 121.531 121.315 0.216 1
1 347 . 9 1 1 A 37 37 GLN H H 37 8.263 7.761 0.502 1
1 348 . 9 1 1 A 37 37 GLN CA C 37 56.362 54.266 2.096 1
1 349 . 9 1 1 A 37 37 GLN HA H 37 4.337 4.530 -0.193 1
1 350 . 9 1 1 A 37 37 GLN CB C 37 29.282 31.253 -1.971 1
1 359 . 9 1 1 A 37 37 GLN C C 37 176.193 175.476 0.717 1
1 360 . 9 1 1 A 38 38 GLU N N 38 121.589 125.603 -4.014 1
1 361 . 9 1 1 A 38 38 GLU H H 38 8.347 9.237 -0.890 1
1 362 . 9 1 1 A 38 38 GLU CA C 38 57.138 57.395 -0.257 1
1 363 . 9 1 1 A 38 38 GLU HA H 38 4.312 4.110 0.202 1
1 364 . 9 1 1 A 38 38 GLU CB C 38 30.433 28.839 1.594 1
1 370 . 9 1 1 A 38 38 GLU C C 38 176.848 176.912 -0.064 1
1 371 . 9 1 1 A 39 39 THR N N 39 115.160 115.076 0.084 1
1 372 . 9 1 1 A 39 39 THR H H 39 8.173 7.805 0.368 1
1 373 . 9 1 1 A 39 39 THR CA C 39 61.834 65.822 -3.988 1
1 374 . 9 1 1 A 39 39 THR HA H 39 4.376 4.071 0.305 1
1 375 . 9 1 1 A 39 39 THR CB C 39 69.909 69.650 0.259 1
1 381 . 9 1 1 A 39 39 THR C C 39 174.596 174.229 0.367 1
1 382 . 9 1 1 A 40 40 LEU N N 40 124.714 115.720 8.994 1
1 383 . 9 1 1 A 40 40 LEU H H 40 8.266 7.641 0.625 1
1 384 . 9 1 1 A 40 40 LEU CA C 40 55.357 53.841 1.516 1
1 385 . 9 1 1 A 40 40 LEU HA H 40 4.415 4.570 -0.155 1
1 386 . 9 1 1 A 40 40 LEU CB C 40 42.326 44.279 -1.953 1
1 399 . 9 1 1 A 40 40 LEU C C 40 177.381 175.346 2.035 1
1 400 . 9 1 1 A 41 41 SER N N 41 116.335 114.023 2.312 1
1 401 . 9 1 1 A 41 41 SER H H 41 8.278 9.176 -0.898 1
1 402 . 9 1 1 A 41 41 SER CA C 41 58.331 59.427 -1.096 1
1 403 . 9 1 1 A 41 41 SER HA H 41 4.514 4.224 0.290 1
1 404 . 9 1 1 A 41 41 SER CB C 41 63.988 61.981 2.007 1
1 407 . 9 1 1 A 41 41 SER C C 41 174.478 174.272 0.206 1
1 408 . 9 1 1 A 42 42 GLY N N 42 110.674 106.055 4.619 1
1 409 . 9 1 1 A 42 42 GLY H H 42 8.181 8.624 -0.443 1
1 410 . 9 1 1 A 42 42 GLY CA C 42 44.661 47.054 -2.393 1
1 411 . 9 1 1 A 42 42 GLY HA2 H 42 4.176 3.901 0.275 1
1 412 . 9 1 1 A 42 42 GLY HA3 H 42 4.100 3.902 0.198 1
1 413 . 9 1 1 A 42 42 GLY C C 42 171.721 174.900 -3.179 1
1 414 . 9 1 1 A 43 43 PRO CA C 43 63.345 62.265 1.080 1
1 415 . 9 1 1 A 43 43 PRO HA H 43 4.491 4.704 -0.213 1
1 416 . 9 1 1 A 43 43 PRO CB C 43 32.228 29.388 2.840 1
1 1 . 10 1 1 A 9 9 GLY CA C 9 45.305 44.974 0.331 1
1 2 . 10 1 1 A 9 9 GLY HA2 H 9 3.909 4.193 -0.284 1
1 3 . 10 1 1 A 9 9 GLY HA3 H 9 3.977 4.194 -0.217 1
1 4 . 10 1 1 A 9 9 GLY C C 9 174.027 171.065 2.962 1
1 5 . 10 1 1 A 10 10 GLU N N 10 120.322 120.967 -0.645 1
1 6 . 10 1 1 A 10 10 GLU H H 10 8.205 8.607 -0.402 1
1 7 . 10 1 1 A 10 10 GLU CA C 10 56.946 55.228 1.718 1
1 8 . 10 1 1 A 10 10 GLU HA H 10 4.186 4.942 -0.756 1
1 9 . 10 1 1 A 10 10 GLU CB C 10 30.386 33.180 -2.794 1
1 15 . 10 1 1 A 10 10 GLU C C 10 176.270 175.517 0.753 1
1 16 . 10 1 1 A 11 11 LYS N N 11 121.346 127.318 -5.972 1
1 17 . 10 1 1 A 11 11 LYS H H 11 8.235 8.415 -0.180 1
1 18 . 10 1 1 A 11 11 LYS CA C 11 53.873 55.315 -1.442 1
1 19 . 10 1 1 A 11 11 LYS HA H 11 4.584 4.255 0.329 1
1 20 . 10 1 1 A 11 11 LYS CB C 11 33.141 32.109 1.032 1
1 32 . 10 1 1 A 11 11 LYS C C 11 174.194 176.806 -2.612 1
1 33 . 10 1 1 A 12 12 PRO CA C 12 63.602 64.769 -1.167 1
1 34 . 10 1 1 A 12 12 PRO HA H 12 4.297 4.324 -0.027 1
1 35 . 10 1 1 A 12 12 PRO CB C 12 32.253 31.855 0.398 1
1 44 . 10 1 1 A 12 12 PRO C C 12 176.307 175.767 0.540 1
1 45 . 10 1 1 A 13 13 TYR N N 13 118.127 118.867 -0.740 1
1 46 . 10 1 1 A 13 13 TYR H H 13 7.888 7.392 0.496 1
1 47 . 10 1 1 A 13 13 TYR CA C 13 57.331 57.252 0.079 1
1 48 . 10 1 1 A 13 13 TYR HA H 13 4.744 5.199 -0.455 1
1 49 . 10 1 1 A 13 13 TYR CB C 13 39.167 41.138 -1.971 1
1 60 . 10 1 1 A 13 13 TYR C C 13 175.007 175.122 -0.115 1
1 61 . 10 1 1 A 14 14 SER N N 14 117.730 114.872 2.858 1
1 62 . 10 1 1 A 14 14 SER H H 14 8.673 8.937 -0.264 1
1 63 . 10 1 1 A 14 14 SER CA C 14 57.166 57.840 -0.674 1
1 64 . 10 1 1 A 14 14 SER HA H 14 5.308 5.078 0.230 1
1 65 . 10 1 1 A 14 14 SER CB C 14 65.510 66.957 -1.447 1
1 68 . 10 1 1 A 14 14 SER C C 14 173.013 172.366 0.647 1
1 69 . 10 1 1 A 15 15 CYS N N 15 125.795 123.264 2.531 1
1 70 . 10 1 1 A 15 15 CYS H H 15 9.205 9.250 -0.045 1
1 71 . 10 1 1 A 15 15 CYS CA C 15 59.676 58.349 1.327 1
1 72 . 10 1 1 A 15 15 CYS HA H 15 4.541 4.918 -0.377 1
1 73 . 10 1 1 A 15 15 CYS CB C 15 29.996 29.791 0.205 1
1 76 . 10 1 1 A 15 15 CYS C C 15 177.406 176.105 1.301 1
1 77 . 10 1 1 A 16 16 ASN N N 16 130.048 122.212 7.836 1
1 78 . 10 1 1 A 16 16 ASN H H 16 9.338 8.782 0.556 1
1 79 . 10 1 1 A 16 16 ASN CA C 16 55.280 52.588 2.692 1
1 80 . 10 1 1 A 16 16 ASN HA H 16 4.549 5.055 -0.506 1
1 81 . 10 1 1 A 16 16 ASN CB C 16 37.925 38.119 -0.194 1
1 87 . 10 1 1 A 16 16 ASN C C 16 174.862 174.723 0.139 1
1 88 . 10 1 1 A 17 17 VAL N N 17 123.044 117.689 5.355 1
1 89 . 10 1 1 A 17 17 VAL H H 17 9.097 7.660 1.437 1
1 90 . 10 1 1 A 17 17 VAL CA C 17 65.187 63.704 1.483 1
1 91 . 10 1 1 A 17 17 VAL HA H 17 3.802 4.178 -0.376 1
1 92 . 10 1 1 A 17 17 VAL CB C 17 32.789 33.639 -0.850 1
1 102 . 10 1 1 A 17 17 VAL C C 17 177.200 177.286 -0.086 1
1 103 . 10 1 1 A 18 18 CYS N N 18 116.865 115.584 1.281 1
1 104 . 10 1 1 A 18 18 CYS H H 18 8.480 7.613 0.867 1
1 105 . 10 1 1 A 18 18 CYS CA C 18 58.318 59.628 -1.310 1
1 106 . 10 1 1 A 18 18 CYS HA H 18 5.171 4.663 0.508 1
1 107 . 10 1 1 A 18 18 CYS CB C 18 32.802 29.897 2.905 1
1 110 . 10 1 1 A 18 18 CYS C C 18 176.592 175.260 1.332 1
1 111 . 10 1 1 A 19 19 GLY N N 19 113.414 109.294 4.120 1
1 112 . 10 1 1 A 19 19 GLY H H 19 8.031 7.955 0.076 1
1 113 . 10 1 1 A 19 19 GLY CA C 19 46.207 45.798 0.409 1
1 114 . 10 1 1 A 19 19 GLY HA2 H 19 3.888 4.068 -0.180 1
1 115 . 10 1 1 A 19 19 GLY HA3 H 19 4.255 4.081 0.174 1
1 116 . 10 1 1 A 19 19 GLY C C 19 174.005 173.518 0.487 1
1 117 . 10 1 1 A 20 20 LYS N N 20 124.005 121.332 2.673 1
1 118 . 10 1 1 A 20 20 LYS H H 20 7.996 8.281 -0.285 1
1 119 . 10 1 1 A 20 20 LYS CA C 20 58.589 54.857 3.732 1
1 120 . 10 1 1 A 20 20 LYS HA H 20 3.899 4.964 -1.065 1
1 121 . 10 1 1 A 20 20 LYS CB C 20 33.573 36.356 -2.783 1
1 133 . 10 1 1 A 20 20 LYS C C 20 173.550 174.323 -0.773 1
1 134 . 10 1 1 A 21 21 ALA N N 21 124.604 123.700 0.904 1
1 135 . 10 1 1 A 21 21 ALA H H 21 7.779 8.351 -0.572 1
1 136 . 10 1 1 A 21 21 ALA CA C 21 50.576 50.063 0.513 1
1 137 . 10 1 1 A 21 21 ALA HA H 21 5.141 5.275 -0.134 1
1 138 . 10 1 1 A 21 21 ALA CB C 21 22.100 23.604 -1.504 1
1 142 . 10 1 1 A 21 21 ALA C C 21 176.396 174.870 1.526 1
1 143 . 10 1 1 A 22 22 PHE N N 22 116.766 116.675 0.091 1
1 144 . 10 1 1 A 22 22 PHE H H 22 8.741 9.074 -0.333 1
1 145 . 10 1 1 A 22 22 PHE CA C 22 57.289 56.664 0.625 1
1 146 . 10 1 1 A 22 22 PHE HA H 22 4.820 5.000 -0.180 1
1 147 . 10 1 1 A 22 22 PHE CB C 22 44.102 43.136 0.966 1
1 160 . 10 1 1 A 22 22 PHE C C 22 174.919 175.727 -0.808 1
1 161 . 10 1 1 A 23 23 VAL N N 23 120.073 121.743 -1.670 1
1 162 . 10 1 1 A 23 23 VAL H H 23 9.112 8.827 0.285 1
1 163 . 10 1 1 A 23 23 VAL CA C 23 65.090 65.466 -0.376 1
1 164 . 10 1 1 A 23 23 VAL HA H 23 4.199 4.177 0.022 1
1 165 . 10 1 1 A 23 23 VAL CB C 23 32.938 32.638 0.300 1
1 175 . 10 1 1 A 23 23 VAL C C 23 175.563 176.522 -0.959 1
1 176 . 10 1 1 A 24 24 LEU N N 24 115.397 119.626 -4.229 1
1 177 . 10 1 1 A 24 24 LEU H H 24 7.329 8.100 -0.771 1
1 178 . 10 1 1 A 24 24 LEU CA C 24 52.640 52.993 -0.353 1
1 179 . 10 1 1 A 24 24 LEU HA H 24 4.798 4.774 0.024 1
1 180 . 10 1 1 A 24 24 LEU CB C 24 43.962 44.257 -0.295 1
1 193 . 10 1 1 A 24 24 LEU C C 24 177.817 176.566 1.251 1
1 194 . 10 1 1 A 25 25 SER N N 25 121.327 115.847 5.480 1
1 195 . 10 1 1 A 25 25 SER H H 25 8.467 8.476 -0.009 1
1 196 . 10 1 1 A 25 25 SER CA C 25 60.968 61.724 -0.756 1
1 197 . 10 1 1 A 25 25 SER HA H 25 3.074 3.316 -0.242 1
1 198 . 10 1 1 A 25 25 SER CB C 25 61.619 62.758 -1.139 1
1 201 . 10 1 1 A 25 25 SER C C 25 177.184 175.836 1.348 1
1 202 . 10 1 1 A 26 26 ALA CA C 26 55.062 55.167 -0.105 1
1 203 . 10 1 1 A 26 26 ALA HA H 26 4.055 3.907 0.148 1
1 204 . 10 1 1 A 26 26 ALA CB C 26 18.357 18.590 -0.233 1
1 208 . 10 1 1 A 26 26 ALA C C 26 180.290 179.906 0.384 1
1 209 . 10 1 1 A 27 27 HIS N N 27 115.252 116.184 -0.932 1
1 210 . 10 1 1 A 27 27 HIS H H 27 6.767 7.919 -1.152 1
1 211 . 10 1 1 A 27 27 HIS CA C 27 56.633 59.264 -2.631 1
1 212 . 10 1 1 A 27 27 HIS HA H 27 4.410 4.356 0.054 1
1 213 . 10 1 1 A 27 27 HIS CB C 27 31.638 29.873 1.765 1
1 220 . 10 1 1 A 27 27 HIS C C 27 178.478 177.533 0.945 1
1 221 . 10 1 1 A 28 28 LEU N N 28 122.106 120.456 1.650 1
1 222 . 10 1 1 A 28 28 LEU H H 28 6.996 7.614 -0.618 1
1 223 . 10 1 1 A 28 28 LEU CA C 28 57.746 57.383 0.363 1
1 224 . 10 1 1 A 28 28 LEU HA H 28 3.230 2.008 1.222 1
1 225 . 10 1 1 A 28 28 LEU CB C 28 39.918 41.182 -1.264 1
1 238 . 10 1 1 A 28 28 LEU C C 28 177.325 177.875 -0.550 1
1 239 . 10 1 1 A 29 29 ASN N N 29 116.979 117.140 -0.161 1
1 240 . 10 1 1 A 29 29 ASN H H 29 8.235 8.237 -0.002 1
1 241 . 10 1 1 A 29 29 ASN CA C 29 56.666 56.355 0.311 1
1 242 . 10 1 1 A 29 29 ASN HA H 29 4.311 4.239 0.072 1
1 243 . 10 1 1 A 29 29 ASN CB C 29 37.848 39.152 -1.304 1
1 249 . 10 1 1 A 29 29 ASN C C 29 177.975 177.210 0.765 1
1 250 . 10 1 1 A 30 30 GLN N N 30 117.598 117.426 0.172 1
1 251 . 10 1 1 A 30 30 GLN H H 30 7.545 8.341 -0.796 1
1 252 . 10 1 1 A 30 30 GLN CA C 30 58.522 58.922 -0.400 1
1 253 . 10 1 1 A 30 30 GLN HA H 30 4.017 3.951 0.066 1
1 254 . 10 1 1 A 30 30 GLN CB C 30 28.526 28.290 0.236 1
1 263 . 10 1 1 A 30 30 GLN C C 30 178.093 178.441 -0.348 1
1 264 . 10 1 1 A 31 31 HIS N N 31 120.149 120.432 -0.283 1
1 265 . 10 1 1 A 31 31 HIS H H 31 7.634 7.333 0.301 1
1 266 . 10 1 1 A 31 31 HIS CA C 31 59.164 59.821 -0.657 1
1 267 . 10 1 1 A 31 31 HIS HA H 31 4.230 4.259 -0.029 1
1 268 . 10 1 1 A 31 31 HIS CB C 31 28.669 30.011 -1.342 1
1 275 . 10 1 1 A 31 31 HIS C C 31 176.050 177.160 -1.110 1
1 276 . 10 1 1 A 32 32 LEU N N 32 117.026 119.578 -2.552 1
1 277 . 10 1 1 A 32 32 LEU H H 32 8.303 8.157 0.146 1
1 278 . 10 1 1 A 32 32 LEU CA C 32 58.266 57.827 0.439 1
1 279 . 10 1 1 A 32 32 LEU HA H 32 3.824 3.682 0.142 1
1 280 . 10 1 1 A 32 32 LEU CB C 32 42.032 41.463 0.569 1
1 293 . 10 1 1 A 32 32 LEU C C 32 178.896 179.044 -0.148 1
1 294 . 10 1 1 A 33 33 ARG N N 33 116.212 119.260 -3.048 1
1 295 . 10 1 1 A 33 33 ARG H H 33 7.064 7.901 -0.837 1
1 296 . 10 1 1 A 33 33 ARG CA C 33 58.296 59.840 -1.544 1
1 297 . 10 1 1 A 33 33 ARG HA H 33 4.101 3.943 0.158 1
1 298 . 10 1 1 A 33 33 ARG CB C 33 29.962 29.631 0.331 1
1 307 . 10 1 1 A 33 33 ARG C C 33 178.559 178.762 -0.203 1
1 308 . 10 1 1 A 34 34 VAL N N 34 116.383 116.925 -0.542 1
1 309 . 10 1 1 A 34 34 VAL H H 34 7.963 7.974 -0.011 1
1 310 . 10 1 1 A 34 34 VAL CA C 34 64.107 65.316 -1.209 1
1 311 . 10 1 1 A 34 34 VAL HA H 34 3.911 3.667 0.244 1
1 312 . 10 1 1 A 34 34 VAL CB C 34 31.048 31.210 -0.162 1
1 322 . 10 1 1 A 34 34 VAL C C 34 177.493 178.048 -0.555 1
1 323 . 10 1 1 A 35 35 HIS N N 35 116.627 120.606 -3.979 1
1 324 . 10 1 1 A 35 35 HIS H H 35 7.182 7.172 0.010 1
1 325 . 10 1 1 A 35 35 HIS CA C 35 55.246 59.477 -4.231 1
1 326 . 10 1 1 A 35 35 HIS HA H 35 4.912 4.278 0.634 1
1 327 . 10 1 1 A 35 35 HIS CB C 35 28.593 30.727 -2.134 1
1 334 . 10 1 1 A 35 35 HIS C C 35 175.599 176.616 -1.017 1
1 335 . 10 1 1 A 36 36 THR N N 36 113.157 112.037 1.120 1
1 336 . 10 1 1 A 36 36 THR H H 36 7.751 8.070 -0.319 1
1 337 . 10 1 1 A 36 36 THR CA C 36 62.698 60.401 2.297 1
1 338 . 10 1 1 A 36 36 THR HA H 36 4.345 4.267 0.078 1
1 339 . 10 1 1 A 36 36 THR CB C 36 69.800 67.066 2.734 1
1 345 . 10 1 1 A 36 36 THR C C 36 174.754 174.835 -0.081 1
1 346 . 10 1 1 A 37 37 GLN N N 37 121.531 124.307 -2.776 1
1 347 . 10 1 1 A 37 37 GLN H H 37 8.263 7.875 0.388 1
1 348 . 10 1 1 A 37 37 GLN CA C 37 56.362 56.897 -0.535 1
1 349 . 10 1 1 A 37 37 GLN HA H 37 4.337 4.511 -0.174 1
1 350 . 10 1 1 A 37 37 GLN CB C 37 29.282 31.122 -1.840 1
1 359 . 10 1 1 A 37 37 GLN C C 37 176.193 175.348 0.845 1
1 360 . 10 1 1 A 38 38 GLU N N 38 121.589 118.610 2.979 1
1 361 . 10 1 1 A 38 38 GLU H H 38 8.347 8.134 0.213 1
1 362 . 10 1 1 A 38 38 GLU CA C 38 57.138 55.137 2.001 1
1 363 . 10 1 1 A 38 38 GLU HA H 38 4.312 4.664 -0.352 1
1 364 . 10 1 1 A 38 38 GLU CB C 38 30.433 31.576 -1.143 1
1 370 . 10 1 1 A 38 38 GLU C C 38 176.848 176.152 0.696 1
1 371 . 10 1 1 A 39 39 THR N N 39 115.160 119.891 -4.731 1
1 372 . 10 1 1 A 39 39 THR H H 39 8.173 8.593 -0.420 1
1 373 . 10 1 1 A 39 39 THR CA C 39 61.834 63.049 -1.215 1
1 374 . 10 1 1 A 39 39 THR HA H 39 4.376 4.196 0.180 1
1 375 . 10 1 1 A 39 39 THR CB C 39 69.909 69.072 0.837 1
1 381 . 10 1 1 A 39 39 THR C C 39 174.596 174.342 0.254 1
1 382 . 10 1 1 A 40 40 LEU N N 40 124.714 125.341 -0.627 1
1 383 . 10 1 1 A 40 40 LEU H H 40 8.266 8.921 -0.655 1
1 384 . 10 1 1 A 40 40 LEU CA C 40 55.357 54.867 0.490 1
1 385 . 10 1 1 A 40 40 LEU HA H 40 4.415 4.662 -0.247 1
1 386 . 10 1 1 A 40 40 LEU CB C 40 42.326 43.933 -1.607 1
1 399 . 10 1 1 A 40 40 LEU C C 40 177.381 176.536 0.845 1
1 400 . 10 1 1 A 41 41 SER N N 41 116.335 116.880 -0.545 1
1 401 . 10 1 1 A 41 41 SER H H 41 8.278 7.791 0.487 1
1 402 . 10 1 1 A 41 41 SER CA C 41 58.331 58.217 0.114 1
1 403 . 10 1 1 A 41 41 SER HA H 41 4.514 4.483 0.031 1
1 404 . 10 1 1 A 41 41 SER CB C 41 63.988 64.301 -0.313 1
1 407 . 10 1 1 A 41 41 SER C C 41 174.478 174.700 -0.222 1
1 408 . 10 1 1 A 42 42 GLY N N 42 110.674 113.294 -2.620 1
1 409 . 10 1 1 A 42 42 GLY H H 42 8.181 8.478 -0.297 1
1 410 . 10 1 1 A 42 42 GLY CA C 42 44.661 45.400 -0.739 1
1 411 . 10 1 1 A 42 42 GLY HA2 H 42 4.176 3.959 0.217 1
1 412 . 10 1 1 A 42 42 GLY HA3 H 42 4.100 3.959 0.141 1
1 413 . 10 1 1 A 42 42 GLY C C 42 171.721 173.265 -1.544 1
1 414 . 10 1 1 A 43 43 PRO CA C 43 63.345 62.300 1.045 1
1 415 . 10 1 1 A 43 43 PRO HA H 43 4.491 4.623 -0.132 1
1 416 . 10 1 1 A 43 43 PRO CB C 43 32.228 29.529 2.699 1
1 1 . 11 1 1 A 9 9 GLY CA C 9 45.305 44.862 0.443 1
1 2 . 11 1 1 A 9 9 GLY HA2 H 9 3.909 4.310 -0.401 1
1 3 . 11 1 1 A 9 9 GLY HA3 H 9 3.977 4.311 -0.334 1
1 4 . 11 1 1 A 9 9 GLY C C 9 174.027 172.108 1.919 1
1 5 . 11 1 1 A 10 10 GLU N N 10 120.322 122.245 -1.923 1
1 6 . 11 1 1 A 10 10 GLU H H 10 8.205 9.131 -0.926 1
1 7 . 11 1 1 A 10 10 GLU CA C 10 56.946 54.508 2.438 1
1 8 . 11 1 1 A 10 10 GLU HA H 10 4.186 5.057 -0.871 1
1 9 . 11 1 1 A 10 10 GLU CB C 10 30.386 33.581 -3.195 1
1 15 . 11 1 1 A 10 10 GLU C C 10 176.270 175.310 0.960 1
1 16 . 11 1 1 A 11 11 LYS N N 11 121.346 121.634 -0.288 1
1 17 . 11 1 1 A 11 11 LYS H H 11 8.235 8.480 -0.245 1
1 18 . 11 1 1 A 11 11 LYS CA C 11 53.873 55.006 -1.133 1
1 19 . 11 1 1 A 11 11 LYS HA H 11 4.584 4.349 0.235 1
1 20 . 11 1 1 A 11 11 LYS CB C 11 33.141 31.977 1.164 1
1 32 . 11 1 1 A 11 11 LYS C C 11 174.194 176.721 -2.527 1
1 33 . 11 1 1 A 12 12 PRO CA C 12 63.602 64.669 -1.067 1
1 34 . 11 1 1 A 12 12 PRO HA H 12 4.297 4.356 -0.059 1
1 35 . 11 1 1 A 12 12 PRO CB C 12 32.253 31.839 0.414 1
1 44 . 11 1 1 A 12 12 PRO C C 12 176.307 175.659 0.648 1
1 45 . 11 1 1 A 13 13 TYR N N 13 118.127 118.963 -0.836 1
1 46 . 11 1 1 A 13 13 TYR H H 13 7.888 7.333 0.555 1
1 47 . 11 1 1 A 13 13 TYR CA C 13 57.331 56.991 0.340 1
1 48 . 11 1 1 A 13 13 TYR HA H 13 4.744 5.281 -0.537 1
1 49 . 11 1 1 A 13 13 TYR CB C 13 39.167 41.570 -2.403 1
1 60 . 11 1 1 A 13 13 TYR C C 13 175.007 175.036 -0.029 1
1 61 . 11 1 1 A 14 14 SER N N 14 117.730 115.108 2.622 1
1 62 . 11 1 1 A 14 14 SER H H 14 8.673 8.808 -0.135 1
1 63 . 11 1 1 A 14 14 SER CA C 14 57.166 57.746 -0.580 1
1 64 . 11 1 1 A 14 14 SER HA H 14 5.308 5.238 0.070 1
1 65 . 11 1 1 A 14 14 SER CB C 14 65.510 66.516 -1.006 1
1 68 . 11 1 1 A 14 14 SER C C 14 173.013 172.403 0.610 1
1 69 . 11 1 1 A 15 15 CYS N N 15 125.795 124.232 1.563 1
1 70 . 11 1 1 A 15 15 CYS H H 15 9.205 9.134 0.071 1
1 71 . 11 1 1 A 15 15 CYS CA C 15 59.676 58.135 1.541 1
1 72 . 11 1 1 A 15 15 CYS HA H 15 4.541 4.890 -0.349 1
1 73 . 11 1 1 A 15 15 CYS CB C 15 29.996 29.531 0.465 1
1 76 . 11 1 1 A 15 15 CYS C C 15 177.406 175.888 1.518 1
1 77 . 11 1 1 A 16 16 ASN N N 16 130.048 122.770 7.278 1
1 78 . 11 1 1 A 16 16 ASN H H 16 9.338 8.882 0.456 1
1 79 . 11 1 1 A 16 16 ASN CA C 16 55.280 53.023 2.257 1
1 80 . 11 1 1 A 16 16 ASN HA H 16 4.549 4.922 -0.373 1
1 81 . 11 1 1 A 16 16 ASN CB C 16 37.925 38.106 -0.181 1
1 87 . 11 1 1 A 16 16 ASN C C 16 174.862 174.538 0.324 1
1 88 . 11 1 1 A 17 17 VAL N N 17 123.044 117.652 5.392 1
1 89 . 11 1 1 A 17 17 VAL H H 17 9.097 8.048 1.049 1
1 90 . 11 1 1 A 17 17 VAL CA C 17 65.187 63.528 1.659 1
1 91 . 11 1 1 A 17 17 VAL HA H 17 3.802 4.176 -0.374 1
1 92 . 11 1 1 A 17 17 VAL CB C 17 32.789 33.563 -0.774 1
1 102 . 11 1 1 A 17 17 VAL C C 17 177.200 177.291 -0.091 1
1 103 . 11 1 1 A 18 18 CYS N N 18 116.865 115.768 1.097 1
1 104 . 11 1 1 A 18 18 CYS H H 18 8.480 7.655 0.825 1
1 105 . 11 1 1 A 18 18 CYS CA C 18 58.318 59.508 -1.190 1
1 106 . 11 1 1 A 18 18 CYS HA H 18 5.171 4.696 0.475 1
1 107 . 11 1 1 A 18 18 CYS CB C 18 32.802 29.952 2.850 1
1 110 . 11 1 1 A 18 18 CYS C C 18 176.592 175.268 1.324 1
1 111 . 11 1 1 A 19 19 GLY N N 19 113.414 109.406 4.008 1
1 112 . 11 1 1 A 19 19 GLY H H 19 8.031 8.213 -0.182 1
1 113 . 11 1 1 A 19 19 GLY CA C 19 46.207 45.797 0.410 1
1 114 . 11 1 1 A 19 19 GLY HA2 H 19 3.888 4.067 -0.179 1
1 115 . 11 1 1 A 19 19 GLY HA3 H 19 4.255 4.077 0.178 1
1 116 . 11 1 1 A 19 19 GLY C C 19 174.005 173.674 0.331 1
1 117 . 11 1 1 A 20 20 LYS N N 20 124.005 120.739 3.266 1
1 118 . 11 1 1 A 20 20 LYS H H 20 7.996 7.960 0.036 1
1 119 . 11 1 1 A 20 20 LYS CA C 20 58.589 54.611 3.978 1
1 120 . 11 1 1 A 20 20 LYS HA H 20 3.899 4.974 -1.075 1
1 121 . 11 1 1 A 20 20 LYS CB C 20 33.573 35.955 -2.382 1
1 133 . 11 1 1 A 20 20 LYS C C 20 173.550 174.320 -0.770 1
1 134 . 11 1 1 A 21 21 ALA N N 21 124.604 124.076 0.528 1
1 135 . 11 1 1 A 21 21 ALA H H 21 7.779 8.294 -0.515 1
1 136 . 11 1 1 A 21 21 ALA CA C 21 50.576 51.193 -0.617 1
1 137 . 11 1 1 A 21 21 ALA HA H 21 5.141 5.342 -0.201 1
1 138 . 11 1 1 A 21 21 ALA CB C 21 22.100 22.880 -0.780 1
1 142 . 11 1 1 A 21 21 ALA C C 21 176.396 174.973 1.423 1
1 143 . 11 1 1 A 22 22 PHE N N 22 116.766 118.129 -1.363 1
1 144 . 11 1 1 A 22 22 PHE H H 22 8.741 9.193 -0.452 1
1 145 . 11 1 1 A 22 22 PHE CA C 22 57.289 56.714 0.575 1
1 146 . 11 1 1 A 22 22 PHE HA H 22 4.820 5.029 -0.209 1
1 147 . 11 1 1 A 22 22 PHE CB C 22 44.102 43.778 0.324 1
1 160 . 11 1 1 A 22 22 PHE C C 22 174.919 175.964 -1.045 1
1 161 . 11 1 1 A 23 23 VAL N N 23 120.073 120.564 -0.491 1
1 162 . 11 1 1 A 23 23 VAL H H 23 9.112 8.912 0.200 1
1 163 . 11 1 1 A 23 23 VAL CA C 23 65.090 64.273 0.817 1
1 164 . 11 1 1 A 23 23 VAL HA H 23 4.199 4.290 -0.091 1
1 165 . 11 1 1 A 23 23 VAL CB C 23 32.938 32.791 0.147 1
1 175 . 11 1 1 A 23 23 VAL C C 23 175.563 176.320 -0.757 1
1 176 . 11 1 1 A 24 24 LEU N N 24 115.397 119.492 -4.095 1
1 177 . 11 1 1 A 24 24 LEU H H 24 7.329 8.113 -0.784 1
1 178 . 11 1 1 A 24 24 LEU CA C 24 52.640 53.015 -0.375 1
1 179 . 11 1 1 A 24 24 LEU HA H 24 4.798 4.879 -0.081 1
1 180 . 11 1 1 A 24 24 LEU CB C 24 43.962 44.283 -0.321 1
1 193 . 11 1 1 A 24 24 LEU C C 24 177.817 176.543 1.274 1
1 194 . 11 1 1 A 25 25 SER N N 25 121.327 116.401 4.926 1
1 195 . 11 1 1 A 25 25 SER H H 25 8.467 8.710 -0.243 1
1 196 . 11 1 1 A 25 25 SER CA C 25 60.968 60.977 -0.009 1
1 197 . 11 1 1 A 25 25 SER HA H 25 3.074 2.847 0.227 1
1 198 . 11 1 1 A 25 25 SER CB C 25 61.619 62.082 -0.463 1
1 201 . 11 1 1 A 25 25 SER C C 25 177.184 176.015 1.169 1
1 202 . 11 1 1 A 26 26 ALA CA C 26 55.062 55.247 -0.185 1
1 203 . 11 1 1 A 26 26 ALA HA H 26 4.055 3.849 0.206 1
1 204 . 11 1 1 A 26 26 ALA CB C 26 18.357 18.108 0.249 1
1 208 . 11 1 1 A 26 26 ALA C C 26 180.290 179.732 0.558 1
1 209 . 11 1 1 A 27 27 HIS N N 27 115.252 115.969 -0.717 1
1 210 . 11 1 1 A 27 27 HIS H H 27 6.767 7.689 -0.922 1
1 211 . 11 1 1 A 27 27 HIS CA C 27 56.633 59.236 -2.603 1
1 212 . 11 1 1 A 27 27 HIS HA H 27 4.410 4.285 0.125 1
1 213 . 11 1 1 A 27 27 HIS CB C 27 31.638 29.757 1.881 1
1 220 . 11 1 1 A 27 27 HIS C C 27 178.478 177.239 1.239 1
1 221 . 11 1 1 A 28 28 LEU N N 28 122.106 120.294 1.812 1
1 222 . 11 1 1 A 28 28 LEU H H 28 6.996 7.276 -0.280 1
1 223 . 11 1 1 A 28 28 LEU CA C 28 57.746 57.432 0.314 1
1 224 . 11 1 1 A 28 28 LEU HA H 28 3.230 2.295 0.935 1
1 225 . 11 1 1 A 28 28 LEU CB C 28 39.918 40.895 -0.977 1
1 238 . 11 1 1 A 28 28 LEU C C 28 177.325 178.122 -0.797 1
1 239 . 11 1 1 A 29 29 ASN N N 29 116.979 116.034 0.945 1
1 240 . 11 1 1 A 29 29 ASN H H 29 8.235 8.285 -0.050 1
1 241 . 11 1 1 A 29 29 ASN CA C 29 56.666 56.419 0.247 1
1 242 . 11 1 1 A 29 29 ASN HA H 29 4.311 4.355 -0.044 1
1 243 . 11 1 1 A 29 29 ASN CB C 29 37.848 37.882 -0.034 1
1 249 . 11 1 1 A 29 29 ASN C C 29 177.975 178.103 -0.128 1
1 250 . 11 1 1 A 30 30 GLN N N 30 117.598 118.049 -0.451 1
1 251 . 11 1 1 A 30 30 GLN H H 30 7.545 8.143 -0.598 1
1 252 . 11 1 1 A 30 30 GLN CA C 30 58.522 59.130 -0.608 1
1 253 . 11 1 1 A 30 30 GLN HA H 30 4.017 3.966 0.051 1
1 254 . 11 1 1 A 30 30 GLN CB C 30 28.526 28.047 0.479 1
1 263 . 11 1 1 A 30 30 GLN C C 30 178.093 178.445 -0.352 1
1 264 . 11 1 1 A 31 31 HIS N N 31 120.149 121.005 -0.856 1
1 265 . 11 1 1 A 31 31 HIS H H 31 7.634 7.716 -0.082 1
1 266 . 11 1 1 A 31 31 HIS CA C 31 59.164 59.473 -0.309 1
1 267 . 11 1 1 A 31 31 HIS HA H 31 4.230 4.288 -0.058 1
1 268 . 11 1 1 A 31 31 HIS CB C 31 28.669 30.401 -1.732 1
1 275 . 11 1 1 A 31 31 HIS C C 31 176.050 176.890 -0.840 1
1 276 . 11 1 1 A 32 32 LEU N N 32 117.026 119.034 -2.008 1
1 277 . 11 1 1 A 32 32 LEU H H 32 8.303 8.278 0.025 1
1 278 . 11 1 1 A 32 32 LEU CA C 32 58.266 57.853 0.413 1
1 279 . 11 1 1 A 32 32 LEU HA H 32 3.824 3.775 0.049 1
1 280 . 11 1 1 A 32 32 LEU CB C 32 42.032 41.461 0.571 1
1 293 . 11 1 1 A 32 32 LEU C C 32 178.896 179.112 -0.216 1
1 294 . 11 1 1 A 33 33 ARG N N 33 116.212 118.637 -2.425 1
1 295 . 11 1 1 A 33 33 ARG H H 33 7.064 8.301 -1.237 1
1 296 . 11 1 1 A 33 33 ARG CA C 33 58.296 59.876 -1.580 1
1 297 . 11 1 1 A 33 33 ARG HA H 33 4.101 3.947 0.154 1
1 298 . 11 1 1 A 33 33 ARG CB C 33 29.962 29.743 0.219 1
1 307 . 11 1 1 A 33 33 ARG C C 33 178.559 178.907 -0.348 1
1 308 . 11 1 1 A 34 34 VAL N N 34 116.383 116.861 -0.478 1
1 309 . 11 1 1 A 34 34 VAL H H 34 7.963 7.775 0.188 1
1 310 . 11 1 1 A 34 34 VAL CA C 34 64.107 64.698 -0.591 1
1 311 . 11 1 1 A 34 34 VAL HA H 34 3.911 3.692 0.219 1
1 312 . 11 1 1 A 34 34 VAL CB C 34 31.048 31.156 -0.108 1
1 322 . 11 1 1 A 34 34 VAL C C 34 177.493 176.904 0.589 1
1 323 . 11 1 1 A 35 35 HIS N N 35 116.627 119.301 -2.674 1
1 324 . 11 1 1 A 35 35 HIS H H 35 7.182 7.665 -0.483 1
1 325 . 11 1 1 A 35 35 HIS CA C 35 55.246 57.709 -2.463 1
1 326 . 11 1 1 A 35 35 HIS HA H 35 4.912 4.490 0.422 1
1 327 . 11 1 1 A 35 35 HIS CB C 35 28.593 31.108 -2.515 1
1 334 . 11 1 1 A 35 35 HIS C C 35 175.599 176.403 -0.804 1
1 335 . 11 1 1 A 36 36 THR N N 36 113.157 111.836 1.321 1
1 336 . 11 1 1 A 36 36 THR H H 36 7.751 8.233 -0.482 1
1 337 . 11 1 1 A 36 36 THR CA C 36 62.698 60.424 2.274 1
1 338 . 11 1 1 A 36 36 THR HA H 36 4.345 4.310 0.035 1
1 339 . 11 1 1 A 36 36 THR CB C 36 69.800 67.271 2.529 1
1 345 . 11 1 1 A 36 36 THR C C 36 174.754 173.242 1.512 1
1 346 . 11 1 1 A 37 37 GLN N N 37 121.531 126.953 -5.422 1
1 347 . 11 1 1 A 37 37 GLN H H 37 8.263 8.662 -0.399 1
1 348 . 11 1 1 A 37 37 GLN CA C 37 56.362 53.744 2.618 1
1 349 . 11 1 1 A 37 37 GLN HA H 37 4.337 5.013 -0.676 1
1 350 . 11 1 1 A 37 37 GLN CB C 37 29.282 32.036 -2.754 1
1 359 . 11 1 1 A 37 37 GLN C C 37 176.193 175.186 1.007 1
1 360 . 11 1 1 A 38 38 GLU N N 38 121.589 125.730 -4.141 1
1 361 . 11 1 1 A 38 38 GLU H H 38 8.347 8.693 -0.346 1
1 362 . 11 1 1 A 38 38 GLU CA C 38 57.138 57.142 -0.004 1
1 363 . 11 1 1 A 38 38 GLU HA H 38 4.312 4.546 -0.234 1
1 364 . 11 1 1 A 38 38 GLU CB C 38 30.433 30.453 -0.020 1
1 370 . 11 1 1 A 38 38 GLU C C 38 176.848 175.422 1.426 1
1 371 . 11 1 1 A 39 39 THR N N 39 115.160 119.495 -4.335 1
1 372 . 11 1 1 A 39 39 THR H H 39 8.173 8.554 -0.381 1
1 373 . 11 1 1 A 39 39 THR CA C 39 61.834 60.806 1.028 1
1 374 . 11 1 1 A 39 39 THR HA H 39 4.376 4.777 -0.401 1
1 375 . 11 1 1 A 39 39 THR CB C 39 69.909 71.362 -1.453 1
1 381 . 11 1 1 A 39 39 THR C C 39 174.596 171.949 2.647 1
1 382 . 11 1 1 A 40 40 LEU N N 40 124.714 128.644 -3.930 1
1 383 . 11 1 1 A 40 40 LEU H H 40 8.266 9.019 -0.753 1
1 384 . 11 1 1 A 40 40 LEU CA C 40 55.357 53.902 1.455 1
1 385 . 11 1 1 A 40 40 LEU HA H 40 4.415 4.847 -0.432 1
1 386 . 11 1 1 A 40 40 LEU CB C 40 42.326 43.448 -1.122 1
1 399 . 11 1 1 A 40 40 LEU C C 40 177.381 174.618 2.763 1
1 400 . 11 1 1 A 41 41 SER N N 41 116.335 121.018 -4.683 1
1 401 . 11 1 1 A 41 41 SER H H 41 8.278 8.900 -0.622 1
1 402 . 11 1 1 A 41 41 SER CA C 41 58.331 56.655 1.676 1
1 403 . 11 1 1 A 41 41 SER HA H 41 4.514 4.929 -0.415 1
1 404 . 11 1 1 A 41 41 SER CB C 41 63.988 64.762 -0.774 1
1 407 . 11 1 1 A 41 41 SER C C 41 174.478 173.620 0.858 1
1 408 . 11 1 1 A 42 42 GLY N N 42 110.674 114.425 -3.751 1
1 409 . 11 1 1 A 42 42 GLY H H 42 8.181 8.348 -0.167 1
1 410 . 11 1 1 A 42 42 GLY CA C 42 44.661 44.612 0.049 1
1 411 . 11 1 1 A 42 42 GLY HA2 H 42 4.176 4.187 -0.011 1
1 412 . 11 1 1 A 42 42 GLY HA3 H 42 4.100 4.187 -0.087 1
1 413 . 11 1 1 A 42 42 GLY C C 42 171.721 172.848 -1.127 1
1 414 . 11 1 1 A 43 43 PRO CA C 43 63.345 62.279 1.066 1
1 415 . 11 1 1 A 43 43 PRO HA H 43 4.491 4.659 -0.168 1
1 416 . 11 1 1 A 43 43 PRO CB C 43 32.228 30.058 2.170 1
1 1 . 12 1 1 A 9 9 GLY CA C 9 45.305 43.771 1.534 1
1 2 . 12 1 1 A 9 9 GLY HA2 H 9 3.909 4.151 -0.242 1
1 3 . 12 1 1 A 9 9 GLY HA3 H 9 3.977 4.151 -0.174 1
1 4 . 12 1 1 A 9 9 GLY C C 9 174.027 174.122 -0.095 1
1 5 . 12 1 1 A 10 10 GLU N N 10 120.322 120.661 -0.339 1
1 6 . 12 1 1 A 10 10 GLU H H 10 8.205 8.496 -0.291 1
1 7 . 12 1 1 A 10 10 GLU CA C 10 56.946 56.703 0.243 1
1 8 . 12 1 1 A 10 10 GLU HA H 10 4.186 4.244 -0.058 1
1 9 . 12 1 1 A 10 10 GLU CB C 10 30.386 29.816 0.570 1
1 15 . 12 1 1 A 10 10 GLU C C 10 176.270 176.095 0.175 1
1 16 . 12 1 1 A 11 11 LYS N N 11 121.346 122.766 -1.420 1
1 17 . 12 1 1 A 11 11 LYS H H 11 8.235 8.539 -0.304 1
1 18 . 12 1 1 A 11 11 LYS CA C 11 53.873 54.895 -1.022 1
1 19 . 12 1 1 A 11 11 LYS HA H 11 4.584 4.313 0.271 1
1 20 . 12 1 1 A 11 11 LYS CB C 11 33.141 31.948 1.193 1
1 32 . 12 1 1 A 11 11 LYS C C 11 174.194 176.591 -2.397 1
1 33 . 12 1 1 A 12 12 PRO CA C 12 63.602 64.435 -0.833 1
1 34 . 12 1 1 A 12 12 PRO HA H 12 4.297 4.367 -0.070 1
1 35 . 12 1 1 A 12 12 PRO CB C 12 32.253 31.799 0.454 1
1 44 . 12 1 1 A 12 12 PRO C C 12 176.307 175.613 0.694 1
1 45 . 12 1 1 A 13 13 TYR N N 13 118.127 119.170 -1.043 1
1 46 . 12 1 1 A 13 13 TYR H H 13 7.888 7.319 0.569 1
1 47 . 12 1 1 A 13 13 TYR CA C 13 57.331 56.794 0.537 1
1 48 . 12 1 1 A 13 13 TYR HA H 13 4.744 5.284 -0.540 1
1 49 . 12 1 1 A 13 13 TYR CB C 13 39.167 41.480 -2.313 1
1 60 . 12 1 1 A 13 13 TYR C C 13 175.007 175.165 -0.158 1
1 61 . 12 1 1 A 14 14 SER N N 14 117.730 114.981 2.749 1
1 62 . 12 1 1 A 14 14 SER H H 14 8.673 9.086 -0.413 1
1 63 . 12 1 1 A 14 14 SER CA C 14 57.166 57.165 0.001 1
1 64 . 12 1 1 A 14 14 SER HA H 14 5.308 5.207 0.101 1
1 65 . 12 1 1 A 14 14 SER CB C 14 65.510 66.300 -0.790 1
1 68 . 12 1 1 A 14 14 SER C C 14 173.013 172.665 0.348 1
1 69 . 12 1 1 A 15 15 CYS N N 15 125.795 123.603 2.192 1
1 70 . 12 1 1 A 15 15 CYS H H 15 9.205 9.037 0.168 1
1 71 . 12 1 1 A 15 15 CYS CA C 15 59.676 58.675 1.001 1
1 72 . 12 1 1 A 15 15 CYS HA H 15 4.541 4.865 -0.324 1
1 73 . 12 1 1 A 15 15 CYS CB C 15 29.996 28.590 1.406 1
1 76 . 12 1 1 A 15 15 CYS C C 15 177.406 176.170 1.236 1
1 77 . 12 1 1 A 16 16 ASN N N 16 130.048 122.740 7.308 1
1 78 . 12 1 1 A 16 16 ASN H H 16 9.338 8.843 0.495 1
1 79 . 12 1 1 A 16 16 ASN CA C 16 55.280 53.019 2.261 1
1 80 . 12 1 1 A 16 16 ASN HA H 16 4.549 4.932 -0.383 1
1 81 . 12 1 1 A 16 16 ASN CB C 16 37.925 38.122 -0.197 1
1 87 . 12 1 1 A 16 16 ASN C C 16 174.862 174.530 0.332 1
1 88 . 12 1 1 A 17 17 VAL N N 17 123.044 117.620 5.424 1
1 89 . 12 1 1 A 17 17 VAL H H 17 9.097 8.062 1.035 1
1 90 . 12 1 1 A 17 17 VAL CA C 17 65.187 63.586 1.601 1
1 91 . 12 1 1 A 17 17 VAL HA H 17 3.802 4.180 -0.378 1
1 92 . 12 1 1 A 17 17 VAL CB C 17 32.789 33.380 -0.591 1
1 102 . 12 1 1 A 17 17 VAL C C 17 177.200 177.209 -0.009 1
1 103 . 12 1 1 A 18 18 CYS N N 18 116.865 115.135 1.730 1
1 104 . 12 1 1 A 18 18 CYS H H 18 8.480 7.597 0.883 1
1 105 . 12 1 1 A 18 18 CYS CA C 18 58.318 59.591 -1.273 1
1 106 . 12 1 1 A 18 18 CYS HA H 18 5.171 4.568 0.603 1
1 107 . 12 1 1 A 18 18 CYS CB C 18 32.802 29.760 3.042 1
1 110 . 12 1 1 A 18 18 CYS C C 18 176.592 175.184 1.408 1
1 111 . 12 1 1 A 19 19 GLY N N 19 113.414 109.425 3.989 1
1 112 . 12 1 1 A 19 19 GLY H H 19 8.031 8.210 -0.179 1
1 113 . 12 1 1 A 19 19 GLY CA C 19 46.207 45.817 0.390 1
1 114 . 12 1 1 A 19 19 GLY HA2 H 19 3.888 4.065 -0.177 1
1 115 . 12 1 1 A 19 19 GLY HA3 H 19 4.255 4.075 0.180 1
1 116 . 12 1 1 A 19 19 GLY C C 19 174.005 173.689 0.316 1
1 117 . 12 1 1 A 20 20 LYS N N 20 124.005 120.549 3.456 1
1 118 . 12 1 1 A 20 20 LYS H H 20 7.996 7.802 0.194 1
1 119 . 12 1 1 A 20 20 LYS CA C 20 58.589 54.578 4.011 1
1 120 . 12 1 1 A 20 20 LYS HA H 20 3.899 4.866 -0.967 1
1 121 . 12 1 1 A 20 20 LYS CB C 20 33.573 35.504 -1.931 1
1 133 . 12 1 1 A 20 20 LYS C C 20 173.550 174.459 -0.909 1
1 134 . 12 1 1 A 21 21 ALA N N 21 124.604 122.931 1.673 1
1 135 . 12 1 1 A 21 21 ALA H H 21 7.779 8.119 -0.340 1
1 136 . 12 1 1 A 21 21 ALA CA C 21 50.576 50.525 0.051 1
1 137 . 12 1 1 A 21 21 ALA HA H 21 5.141 5.173 -0.032 1
1 138 . 12 1 1 A 21 21 ALA CB C 21 22.100 23.831 -1.731 1
1 142 . 12 1 1 A 21 21 ALA C C 21 176.396 175.069 1.327 1
1 143 . 12 1 1 A 22 22 PHE N N 22 116.766 116.506 0.260 1
1 144 . 12 1 1 A 22 22 PHE H H 22 8.741 8.697 0.044 1
1 145 . 12 1 1 A 22 22 PHE CA C 22 57.289 56.691 0.598 1
1 146 . 12 1 1 A 22 22 PHE HA H 22 4.820 5.031 -0.211 1
1 147 . 12 1 1 A 22 22 PHE CB C 22 44.102 43.394 0.708 1
1 160 . 12 1 1 A 22 22 PHE C C 22 174.919 175.740 -0.821 1
1 161 . 12 1 1 A 23 23 VAL N N 23 120.073 121.165 -1.092 1
1 162 . 12 1 1 A 23 23 VAL H H 23 9.112 8.944 0.168 1
1 163 . 12 1 1 A 23 23 VAL CA C 23 65.090 64.679 0.411 1
1 164 . 12 1 1 A 23 23 VAL HA H 23 4.199 4.238 -0.039 1
1 165 . 12 1 1 A 23 23 VAL CB C 23 32.938 32.640 0.298 1
1 175 . 12 1 1 A 23 23 VAL C C 23 175.563 176.577 -1.014 1
1 176 . 12 1 1 A 24 24 LEU N N 24 115.397 119.637 -4.240 1
1 177 . 12 1 1 A 24 24 LEU H H 24 7.329 8.140 -0.811 1
1 178 . 12 1 1 A 24 24 LEU CA C 24 52.640 52.820 -0.180 1
1 179 . 12 1 1 A 24 24 LEU HA H 24 4.798 4.787 0.011 1
1 180 . 12 1 1 A 24 24 LEU CB C 24 43.962 44.106 -0.144 1
1 193 . 12 1 1 A 24 24 LEU C C 24 177.817 176.592 1.225 1
1 194 . 12 1 1 A 25 25 SER N N 25 121.327 116.972 4.355 1
1 195 . 12 1 1 A 25 25 SER H H 25 8.467 8.463 0.004 1
1 196 . 12 1 1 A 25 25 SER CA C 25 60.968 60.662 0.306 1
1 197 . 12 1 1 A 25 25 SER HA H 25 3.074 3.060 0.014 1
1 198 . 12 1 1 A 25 25 SER CB C 25 61.619 62.408 -0.789 1
1 201 . 12 1 1 A 25 25 SER C C 25 177.184 176.418 0.766 1
1 202 . 12 1 1 A 26 26 ALA CA C 26 55.062 55.068 -0.006 1
1 203 . 12 1 1 A 26 26 ALA HA H 26 4.055 3.855 0.200 1
1 204 . 12 1 1 A 26 26 ALA CB C 26 18.357 18.668 -0.311 1
1 208 . 12 1 1 A 26 26 ALA C C 26 180.290 179.761 0.529 1
1 209 . 12 1 1 A 27 27 HIS N N 27 115.252 116.182 -0.930 1
1 210 . 12 1 1 A 27 27 HIS H H 27 6.767 7.944 -1.177 1
1 211 . 12 1 1 A 27 27 HIS CA C 27 56.633 58.947 -2.314 1
1 212 . 12 1 1 A 27 27 HIS HA H 27 4.410 4.260 0.150 1
1 213 . 12 1 1 A 27 27 HIS CB C 27 31.638 29.725 1.913 1
1 220 . 12 1 1 A 27 27 HIS C C 27 178.478 177.461 1.017 1
1 221 . 12 1 1 A 28 28 LEU N N 28 122.106 120.599 1.507 1
1 222 . 12 1 1 A 28 28 LEU H H 28 6.996 7.316 -0.320 1
1 223 . 12 1 1 A 28 28 LEU CA C 28 57.746 57.424 0.322 1
1 224 . 12 1 1 A 28 28 LEU HA H 28 3.230 2.188 1.042 1
1 225 . 12 1 1 A 28 28 LEU CB C 28 39.918 41.297 -1.379 1
1 238 . 12 1 1 A 28 28 LEU C C 28 177.325 177.998 -0.673 1
1 239 . 12 1 1 A 29 29 ASN N N 29 116.979 116.041 0.938 1
1 240 . 12 1 1 A 29 29 ASN H H 29 8.235 8.284 -0.049 1
1 241 . 12 1 1 A 29 29 ASN CA C 29 56.666 56.356 0.310 1
1 242 . 12 1 1 A 29 29 ASN HA H 29 4.311 4.354 -0.043 1
1 243 . 12 1 1 A 29 29 ASN CB C 29 37.848 38.066 -0.218 1
1 249 . 12 1 1 A 29 29 ASN C C 29 177.975 177.932 0.043 1
1 250 . 12 1 1 A 30 30 GLN N N 30 117.598 117.927 -0.329 1
1 251 . 12 1 1 A 30 30 GLN H H 30 7.545 8.244 -0.699 1
1 252 . 12 1 1 A 30 30 GLN CA C 30 58.522 59.021 -0.499 1
1 253 . 12 1 1 A 30 30 GLN HA H 30 4.017 3.938 0.079 1
1 254 . 12 1 1 A 30 30 GLN CB C 30 28.526 28.267 0.259 1
1 263 . 12 1 1 A 30 30 GLN C C 30 178.093 178.452 -0.359 1
1 264 . 12 1 1 A 31 31 HIS N N 31 120.149 120.679 -0.530 1
1 265 . 12 1 1 A 31 31 HIS H H 31 7.634 7.308 0.326 1
1 266 . 12 1 1 A 31 31 HIS CA C 31 59.164 59.824 -0.660 1
1 267 . 12 1 1 A 31 31 HIS HA H 31 4.230 4.242 -0.012 1
1 268 . 12 1 1 A 31 31 HIS CB C 31 28.669 30.006 -1.337 1
1 275 . 12 1 1 A 31 31 HIS C C 31 176.050 176.997 -0.947 1
1 276 . 12 1 1 A 32 32 LEU N N 32 117.026 119.135 -2.109 1
1 277 . 12 1 1 A 32 32 LEU H H 32 8.303 8.182 0.121 1
1 278 . 12 1 1 A 32 32 LEU CA C 32 58.266 57.679 0.587 1
1 279 . 12 1 1 A 32 32 LEU HA H 32 3.824 3.762 0.062 1
1 280 . 12 1 1 A 32 32 LEU CB C 32 42.032 41.594 0.438 1
1 293 . 12 1 1 A 32 32 LEU C C 32 178.896 179.102 -0.206 1
1 294 . 12 1 1 A 33 33 ARG N N 33 116.212 119.392 -3.180 1
1 295 . 12 1 1 A 33 33 ARG H H 33 7.064 7.843 -0.779 1
1 296 . 12 1 1 A 33 33 ARG CA C 33 58.296 59.726 -1.430 1
1 297 . 12 1 1 A 33 33 ARG HA H 33 4.101 3.932 0.169 1
1 298 . 12 1 1 A 33 33 ARG CB C 33 29.962 29.648 0.314 1
1 307 . 12 1 1 A 33 33 ARG C C 33 178.559 178.894 -0.335 1
1 308 . 12 1 1 A 34 34 VAL N N 34 116.383 116.024 0.359 1
1 309 . 12 1 1 A 34 34 VAL H H 34 7.963 7.872 0.091 1
1 310 . 12 1 1 A 34 34 VAL CA C 34 64.107 64.953 -0.846 1
1 311 . 12 1 1 A 34 34 VAL HA H 34 3.911 3.810 0.101 1
1 312 . 12 1 1 A 34 34 VAL CB C 34 31.048 31.002 0.046 1
1 322 . 12 1 1 A 34 34 VAL C C 34 177.493 176.870 0.623 1
1 323 . 12 1 1 A 35 35 HIS N N 35 116.627 119.674 -3.047 1
1 324 . 12 1 1 A 35 35 HIS H H 35 7.182 7.490 -0.308 1
1 325 . 12 1 1 A 35 35 HIS CA C 35 55.246 58.002 -2.756 1
1 326 . 12 1 1 A 35 35 HIS HA H 35 4.912 4.474 0.438 1
1 327 . 12 1 1 A 35 35 HIS CB C 35 28.593 30.991 -2.398 1
1 334 . 12 1 1 A 35 35 HIS C C 35 175.599 176.501 -0.902 1
1 335 . 12 1 1 A 36 36 THR N N 36 113.157 111.719 1.438 1
1 336 . 12 1 1 A 36 36 THR H H 36 7.751 8.052 -0.301 1
1 337 . 12 1 1 A 36 36 THR CA C 36 62.698 61.509 1.189 1
1 338 . 12 1 1 A 36 36 THR HA H 36 4.345 4.295 0.050 1
1 339 . 12 1 1 A 36 36 THR CB C 36 69.800 67.657 2.143 1
1 345 . 12 1 1 A 36 36 THR C C 36 174.754 173.592 1.162 1
1 346 . 12 1 1 A 37 37 GLN N N 37 121.531 124.102 -2.571 1
1 347 . 12 1 1 A 37 37 GLN H H 37 8.263 7.395 0.868 1
1 348 . 12 1 1 A 37 37 GLN CA C 37 56.362 54.131 2.231 1
1 349 . 12 1 1 A 37 37 GLN HA H 37 4.337 4.903 -0.566 1
1 350 . 12 1 1 A 37 37 GLN CB C 37 29.282 32.504 -3.222 1
1 359 . 12 1 1 A 37 37 GLN C C 37 176.193 173.895 2.298 1
1 360 . 12 1 1 A 38 38 GLU N N 38 121.589 126.176 -4.587 1
1 361 . 12 1 1 A 38 38 GLU H H 38 8.347 8.698 -0.351 1
1 362 . 12 1 1 A 38 38 GLU CA C 38 57.138 56.442 0.696 1
1 363 . 12 1 1 A 38 38 GLU HA H 38 4.312 4.682 -0.370 1
1 364 . 12 1 1 A 38 38 GLU CB C 38 30.433 30.866 -0.433 1
1 370 . 12 1 1 A 38 38 GLU C C 38 176.848 175.992 0.856 1
1 371 . 12 1 1 A 39 39 THR N N 39 115.160 115.030 0.130 1
1 372 . 12 1 1 A 39 39 THR H H 39 8.173 8.777 -0.604 1
1 373 . 12 1 1 A 39 39 THR CA C 39 61.834 60.227 1.607 1
1 374 . 12 1 1 A 39 39 THR HA H 39 4.376 5.017 -0.641 1
1 375 . 12 1 1 A 39 39 THR CB C 39 69.909 72.021 -2.112 1
1 381 . 12 1 1 A 39 39 THR C C 39 174.596 173.006 1.590 1
1 382 . 12 1 1 A 40 40 LEU N N 40 124.714 125.821 -1.107 1
1 383 . 12 1 1 A 40 40 LEU H H 40 8.266 8.728 -0.462 1
1 384 . 12 1 1 A 40 40 LEU CA C 40 55.357 55.192 0.165 1
1 385 . 12 1 1 A 40 40 LEU HA H 40 4.415 4.398 0.017 1
1 386 . 12 1 1 A 40 40 LEU CB C 40 42.326 42.369 -0.043 1
1 399 . 12 1 1 A 40 40 LEU C C 40 177.381 176.815 0.566 1
1 400 . 12 1 1 A 41 41 SER N N 41 116.335 119.669 -3.334 1
1 401 . 12 1 1 A 41 41 SER H H 41 8.278 8.599 -0.321 1
1 402 . 12 1 1 A 41 41 SER CA C 41 58.331 58.948 -0.617 1
1 403 . 12 1 1 A 41 41 SER HA H 41 4.514 4.461 0.053 1
1 404 . 12 1 1 A 41 41 SER CB C 41 63.988 63.270 0.718 1
1 407 . 12 1 1 A 41 41 SER C C 41 174.478 174.126 0.352 1
1 408 . 12 1 1 A 42 42 GLY N N 42 110.674 113.712 -3.038 1
1 409 . 12 1 1 A 42 42 GLY H H 42 8.181 8.447 -0.266 1
1 410 . 12 1 1 A 42 42 GLY CA C 42 44.661 45.065 -0.404 1
1 411 . 12 1 1 A 42 42 GLY HA2 H 42 4.176 4.282 -0.106 1
1 412 . 12 1 1 A 42 42 GLY HA3 H 42 4.100 4.283 -0.183 1
1 413 . 12 1 1 A 42 42 GLY C C 42 171.721 171.163 0.558 1
1 414 . 12 1 1 A 43 43 PRO CA C 43 63.345 62.669 0.676 1
1 415 . 12 1 1 A 43 43 PRO HA H 43 4.491 4.655 -0.164 1
1 416 . 12 1 1 A 43 43 PRO CB C 43 32.228 33.486 -1.258 1
1 1 . 13 1 1 A 9 9 GLY CA C 9 45.305 46.763 -1.458 1
1 2 . 13 1 1 A 9 9 GLY HA2 H 9 3.909 3.932 -0.023 1
1 3 . 13 1 1 A 9 9 GLY HA3 H 9 3.977 3.933 0.044 1
1 4 . 13 1 1 A 9 9 GLY C C 9 174.027 173.701 0.326 1
1 5 . 13 1 1 A 10 10 GLU N N 10 120.322 124.053 -3.731 1
1 6 . 13 1 1 A 10 10 GLU H H 10 8.205 8.551 -0.346 1
1 7 . 13 1 1 A 10 10 GLU CA C 10 56.946 55.297 1.649 1
1 8 . 13 1 1 A 10 10 GLU HA H 10 4.186 4.902 -0.716 1
1 9 . 13 1 1 A 10 10 GLU CB C 10 30.386 30.738 -0.352 1
1 15 . 13 1 1 A 10 10 GLU C C 10 176.270 175.296 0.974 1
1 16 . 13 1 1 A 11 11 LYS N N 11 121.346 125.757 -4.411 1
1 17 . 13 1 1 A 11 11 LYS H H 11 8.235 8.401 -0.166 1
1 18 . 13 1 1 A 11 11 LYS CA C 11 53.873 54.152 -0.279 1
1 19 . 13 1 1 A 11 11 LYS HA H 11 4.584 4.586 -0.002 1
1 20 . 13 1 1 A 11 11 LYS CB C 11 33.141 31.998 1.143 1
1 32 . 13 1 1 A 11 11 LYS C C 11 174.194 176.456 -2.262 1
1 33 . 13 1 1 A 12 12 PRO CA C 12 63.602 64.732 -1.130 1
1 34 . 13 1 1 A 12 12 PRO HA H 12 4.297 4.328 -0.031 1
1 35 . 13 1 1 A 12 12 PRO CB C 12 32.253 31.921 0.332 1
1 44 . 13 1 1 A 12 12 PRO C C 12 176.307 175.836 0.471 1
1 45 . 13 1 1 A 13 13 TYR N N 13 118.127 119.174 -1.047 1
1 46 . 13 1 1 A 13 13 TYR H H 13 7.888 7.387 0.501 1
1 47 . 13 1 1 A 13 13 TYR CA C 13 57.331 57.442 -0.111 1
1 48 . 13 1 1 A 13 13 TYR HA H 13 4.744 5.059 -0.315 1
1 49 . 13 1 1 A 13 13 TYR CB C 13 39.167 41.013 -1.846 1
1 60 . 13 1 1 A 13 13 TYR C C 13 175.007 175.086 -0.079 1
1 61 . 13 1 1 A 14 14 SER N N 14 117.730 114.867 2.863 1
1 62 . 13 1 1 A 14 14 SER H H 14 8.673 8.986 -0.313 1
1 63 . 13 1 1 A 14 14 SER CA C 14 57.166 57.798 -0.632 1
1 64 . 13 1 1 A 14 14 SER HA H 14 5.308 4.993 0.315 1
1 65 . 13 1 1 A 14 14 SER CB C 14 65.510 66.869 -1.359 1
1 68 . 13 1 1 A 14 14 SER C C 14 173.013 172.766 0.247 1
1 69 . 13 1 1 A 15 15 CYS N N 15 125.795 124.377 1.418 1
1 70 . 13 1 1 A 15 15 CYS H H 15 9.205 9.388 -0.183 1
1 71 . 13 1 1 A 15 15 CYS CA C 15 59.676 58.747 0.929 1
1 72 . 13 1 1 A 15 15 CYS HA H 15 4.541 4.867 -0.326 1
1 73 . 13 1 1 A 15 15 CYS CB C 15 29.996 29.021 0.975 1
1 76 . 13 1 1 A 15 15 CYS C C 15 177.406 175.936 1.470 1
1 77 . 13 1 1 A 16 16 ASN N N 16 130.048 121.488 8.560 1
1 78 . 13 1 1 A 16 16 ASN H H 16 9.338 8.763 0.575 1
1 79 . 13 1 1 A 16 16 ASN CA C 16 55.280 52.407 2.873 1
1 80 . 13 1 1 A 16 16 ASN HA H 16 4.549 5.088 -0.539 1
1 81 . 13 1 1 A 16 16 ASN CB C 16 37.925 38.115 -0.190 1
1 87 . 13 1 1 A 16 16 ASN C C 16 174.862 174.774 0.088 1
1 88 . 13 1 1 A 17 17 VAL N N 17 123.044 117.558 5.486 1
1 89 . 13 1 1 A 17 17 VAL H H 17 9.097 7.582 1.515 1
1 90 . 13 1 1 A 17 17 VAL CA C 17 65.187 63.690 1.497 1
1 91 . 13 1 1 A 17 17 VAL HA H 17 3.802 4.173 -0.371 1
1 92 . 13 1 1 A 17 17 VAL CB C 17 32.789 33.315 -0.526 1
1 102 . 13 1 1 A 17 17 VAL C C 17 177.200 177.237 -0.037 1
1 103 . 13 1 1 A 18 18 CYS N N 18 116.865 115.176 1.689 1
1 104 . 13 1 1 A 18 18 CYS H H 18 8.480 7.630 0.850 1
1 105 . 13 1 1 A 18 18 CYS CA C 18 58.318 59.632 -1.314 1
1 106 . 13 1 1 A 18 18 CYS HA H 18 5.171 4.599 0.572 1
1 107 . 13 1 1 A 18 18 CYS CB C 18 32.802 29.701 3.101 1
1 110 . 13 1 1 A 18 18 CYS C C 18 176.592 175.261 1.331 1
1 111 . 13 1 1 A 19 19 GLY N N 19 113.414 109.422 3.992 1
1 112 . 13 1 1 A 19 19 GLY H H 19 8.031 8.059 -0.028 1
1 113 . 13 1 1 A 19 19 GLY CA C 19 46.207 45.694 0.513 1
1 114 . 13 1 1 A 19 19 GLY HA2 H 19 3.888 4.072 -0.184 1
1 115 . 13 1 1 A 19 19 GLY HA3 H 19 4.255 4.080 0.175 1
1 116 . 13 1 1 A 19 19 GLY C C 19 174.005 173.742 0.263 1
1 117 . 13 1 1 A 20 20 LYS N N 20 124.005 120.296 3.709 1
1 118 . 13 1 1 A 20 20 LYS H H 20 7.996 7.790 0.206 1
1 119 . 13 1 1 A 20 20 LYS CA C 20 58.589 54.408 4.181 1
1 120 . 13 1 1 A 20 20 LYS HA H 20 3.899 4.933 -1.034 1
1 121 . 13 1 1 A 20 20 LYS CB C 20 33.573 36.385 -2.812 1
1 133 . 13 1 1 A 20 20 LYS C C 20 173.550 174.306 -0.756 1
1 134 . 13 1 1 A 21 21 ALA N N 21 124.604 124.207 0.397 1
1 135 . 13 1 1 A 21 21 ALA H H 21 7.779 8.377 -0.598 1
1 136 . 13 1 1 A 21 21 ALA CA C 21 50.576 50.282 0.294 1
1 137 . 13 1 1 A 21 21 ALA HA H 21 5.141 5.286 -0.145 1
1 138 . 13 1 1 A 21 21 ALA CB C 21 22.100 23.591 -1.491 1
1 142 . 13 1 1 A 21 21 ALA C C 21 176.396 175.082 1.314 1
1 143 . 13 1 1 A 22 22 PHE N N 22 116.766 116.770 -0.004 1
1 144 . 13 1 1 A 22 22 PHE H H 22 8.741 8.702 0.039 1
1 145 . 13 1 1 A 22 22 PHE CA C 22 57.289 56.603 0.686 1
1 146 . 13 1 1 A 22 22 PHE HA H 22 4.820 5.071 -0.251 1
1 147 . 13 1 1 A 22 22 PHE CB C 22 44.102 43.792 0.310 1
1 160 . 13 1 1 A 22 22 PHE C C 22 174.919 175.732 -0.813 1
1 161 . 13 1 1 A 23 23 VAL N N 23 120.073 120.302 -0.229 1
1 162 . 13 1 1 A 23 23 VAL H H 23 9.112 8.890 0.222 1
1 163 . 13 1 1 A 23 23 VAL CA C 23 65.090 64.212 0.878 1
1 164 . 13 1 1 A 23 23 VAL HA H 23 4.199 4.260 -0.061 1
1 165 . 13 1 1 A 23 23 VAL CB C 23 32.938 32.684 0.254 1
1 175 . 13 1 1 A 23 23 VAL C C 23 175.563 176.408 -0.845 1
1 176 . 13 1 1 A 24 24 LEU N N 24 115.397 119.647 -4.250 1
1 177 . 13 1 1 A 24 24 LEU H H 24 7.329 8.108 -0.779 1
1 178 . 13 1 1 A 24 24 LEU CA C 24 52.640 52.857 -0.217 1
1 179 . 13 1 1 A 24 24 LEU HA H 24 4.798 4.774 0.024 1
1 180 . 13 1 1 A 24 24 LEU CB C 24 43.962 44.178 -0.216 1
1 193 . 13 1 1 A 24 24 LEU C C 24 177.817 176.548 1.269 1
1 194 . 13 1 1 A 25 25 SER N N 25 121.327 116.961 4.366 1
1 195 . 13 1 1 A 25 25 SER H H 25 8.467 8.392 0.075 1
1 196 . 13 1 1 A 25 25 SER CA C 25 60.968 60.608 0.360 1
1 197 . 13 1 1 A 25 25 SER HA H 25 3.074 3.131 -0.057 1
1 198 . 13 1 1 A 25 25 SER CB C 25 61.619 62.449 -0.830 1
1 201 . 13 1 1 A 25 25 SER C C 25 177.184 176.439 0.745 1
1 202 . 13 1 1 A 26 26 ALA CA C 26 55.062 55.142 -0.080 1
1 203 . 13 1 1 A 26 26 ALA HA H 26 4.055 3.855 0.200 1
1 204 . 13 1 1 A 26 26 ALA CB C 26 18.357 18.605 -0.248 1
1 208 . 13 1 1 A 26 26 ALA C C 26 180.290 179.745 0.545 1
1 209 . 13 1 1 A 27 27 HIS N N 27 115.252 116.127 -0.875 1
1 210 . 13 1 1 A 27 27 HIS H H 27 6.767 7.852 -1.085 1
1 211 . 13 1 1 A 27 27 HIS CA C 27 56.633 59.075 -2.442 1
1 212 . 13 1 1 A 27 27 HIS HA H 27 4.410 4.276 0.134 1
1 213 . 13 1 1 A 27 27 HIS CB C 27 31.638 29.865 1.773 1
1 220 . 13 1 1 A 27 27 HIS C C 27 178.478 177.363 1.115 1
1 221 . 13 1 1 A 28 28 LEU N N 28 122.106 120.791 1.315 1
1 222 . 13 1 1 A 28 28 LEU H H 28 6.996 7.795 -0.799 1
1 223 . 13 1 1 A 28 28 LEU CA C 28 57.746 57.652 0.094 1
1 224 . 13 1 1 A 28 28 LEU HA H 28 3.230 2.536 0.694 1
1 225 . 13 1 1 A 28 28 LEU CB C 28 39.918 41.272 -1.354 1
1 238 . 13 1 1 A 28 28 LEU C C 28 177.325 178.362 -1.037 1
1 239 . 13 1 1 A 29 29 ASN N N 29 116.979 116.046 0.933 1
1 240 . 13 1 1 A 29 29 ASN H H 29 8.235 8.334 -0.099 1
1 241 . 13 1 1 A 29 29 ASN CA C 29 56.666 56.412 0.254 1
1 242 . 13 1 1 A 29 29 ASN HA H 29 4.311 4.331 -0.020 1
1 243 . 13 1 1 A 29 29 ASN CB C 29 37.848 37.874 -0.026 1
1 249 . 13 1 1 A 29 29 ASN C C 29 177.975 177.941 0.034 1
1 250 . 13 1 1 A 30 30 GLN N N 30 117.598 118.119 -0.521 1
1 251 . 13 1 1 A 30 30 GLN H H 30 7.545 8.034 -0.489 1
1 252 . 13 1 1 A 30 30 GLN CA C 30 58.522 59.106 -0.584 1
1 253 . 13 1 1 A 30 30 GLN HA H 30 4.017 3.921 0.096 1
1 254 . 13 1 1 A 30 30 GLN CB C 30 28.526 28.091 0.435 1
1 263 . 13 1 1 A 30 30 GLN C C 30 178.093 178.470 -0.377 1
1 264 . 13 1 1 A 31 31 HIS N N 31 120.149 119.910 0.239 1
1 265 . 13 1 1 A 31 31 HIS H H 31 7.634 7.351 0.283 1
1 266 . 13 1 1 A 31 31 HIS CA C 31 59.164 59.849 -0.685 1
1 267 . 13 1 1 A 31 31 HIS HA H 31 4.230 4.250 -0.020 1
1 268 . 13 1 1 A 31 31 HIS CB C 31 28.669 29.973 -1.304 1
1 275 . 13 1 1 A 31 31 HIS C C 31 176.050 176.899 -0.849 1
1 276 . 13 1 1 A 32 32 LEU N N 32 117.026 118.976 -1.950 1
1 277 . 13 1 1 A 32 32 LEU H H 32 8.303 8.289 0.014 1
1 278 . 13 1 1 A 32 32 LEU CA C 32 58.266 57.886 0.380 1
1 279 . 13 1 1 A 32 32 LEU HA H 32 3.824 3.825 -0.001 1
1 280 . 13 1 1 A 32 32 LEU CB C 32 42.032 41.459 0.573 1
1 293 . 13 1 1 A 32 32 LEU C C 32 178.896 179.151 -0.255 1
1 294 . 13 1 1 A 33 33 ARG N N 33 116.212 119.095 -2.883 1
1 295 . 13 1 1 A 33 33 ARG H H 33 7.064 8.074 -1.010 1
1 296 . 13 1 1 A 33 33 ARG CA C 33 58.296 59.709 -1.413 1
1 297 . 13 1 1 A 33 33 ARG HA H 33 4.101 3.887 0.214 1
1 298 . 13 1 1 A 33 33 ARG CB C 33 29.962 30.006 -0.044 1
1 307 . 13 1 1 A 33 33 ARG C C 33 178.559 178.631 -0.072 1
1 308 . 13 1 1 A 34 34 VAL N N 34 116.383 116.621 -0.238 1
1 309 . 13 1 1 A 34 34 VAL H H 34 7.963 7.620 0.343 1
1 310 . 13 1 1 A 34 34 VAL CA C 34 64.107 64.757 -0.650 1
1 311 . 13 1 1 A 34 34 VAL HA H 34 3.911 3.764 0.147 1
1 312 . 13 1 1 A 34 34 VAL CB C 34 31.048 31.094 -0.046 1
1 322 . 13 1 1 A 34 34 VAL C C 34 177.493 176.777 0.716 1
1 323 . 13 1 1 A 35 35 HIS N N 35 116.627 119.435 -2.808 1
1 324 . 13 1 1 A 35 35 HIS H H 35 7.182 7.852 -0.670 1
1 325 . 13 1 1 A 35 35 HIS CA C 35 55.246 54.815 0.431 1
1 326 . 13 1 1 A 35 35 HIS HA H 35 4.912 4.778 0.134 1
1 327 . 13 1 1 A 35 35 HIS CB C 35 28.593 28.647 -0.054 1
1 334 . 13 1 1 A 35 35 HIS C C 35 175.599 175.481 0.118 1
1 335 . 13 1 1 A 36 36 THR N N 36 113.157 114.208 -1.051 1
1 336 . 13 1 1 A 36 36 THR H H 36 7.751 7.459 0.292 1
1 337 . 13 1 1 A 36 36 THR CA C 36 62.698 61.081 1.617 1
1 338 . 13 1 1 A 36 36 THR HA H 36 4.345 4.374 -0.029 1
1 339 . 13 1 1 A 36 36 THR CB C 36 69.800 68.538 1.262 1
1 345 . 13 1 1 A 36 36 THR C C 36 174.754 173.333 1.421 1
1 346 . 13 1 1 A 37 37 GLN N N 37 121.531 119.561 1.970 1
1 347 . 13 1 1 A 37 37 GLN H H 37 8.263 7.676 0.587 1
1 348 . 13 1 1 A 37 37 GLN CA C 37 56.362 54.751 1.611 1
1 349 . 13 1 1 A 37 37 GLN HA H 37 4.337 4.595 -0.258 1
1 350 . 13 1 1 A 37 37 GLN CB C 37 29.282 31.781 -2.499 1
1 359 . 13 1 1 A 37 37 GLN C C 37 176.193 174.061 2.132 1
1 360 . 13 1 1 A 38 38 GLU N N 38 121.589 120.782 0.807 1
1 361 . 13 1 1 A 38 38 GLU H H 38 8.347 8.552 -0.205 1
1 362 . 13 1 1 A 38 38 GLU CA C 38 57.138 56.661 0.477 1
1 363 . 13 1 1 A 38 38 GLU HA H 38 4.312 4.352 -0.040 1
1 364 . 13 1 1 A 38 38 GLU CB C 38 30.433 29.779 0.654 1
1 370 . 13 1 1 A 38 38 GLU C C 38 176.848 175.785 1.063 1
1 371 . 13 1 1 A 39 39 THR N N 39 115.160 120.522 -5.362 1
1 372 . 13 1 1 A 39 39 THR H H 39 8.173 8.577 -0.404 1
1 373 . 13 1 1 A 39 39 THR CA C 39 61.834 60.952 0.882 1
1 374 . 13 1 1 A 39 39 THR HA H 39 4.376 4.592 -0.216 1
1 375 . 13 1 1 A 39 39 THR CB C 39 69.909 69.003 0.906 1
1 381 . 13 1 1 A 39 39 THR C C 39 174.596 173.975 0.621 1
1 382 . 13 1 1 A 40 40 LEU N N 40 124.714 130.570 -5.856 1
1 383 . 13 1 1 A 40 40 LEU H H 40 8.266 8.691 -0.425 1
1 384 . 13 1 1 A 40 40 LEU CA C 40 55.357 56.808 -1.451 1
1 385 . 13 1 1 A 40 40 LEU HA H 40 4.415 4.457 -0.042 1
1 386 . 13 1 1 A 40 40 LEU CB C 40 42.326 43.115 -0.789 1
1 399 . 13 1 1 A 40 40 LEU C C 40 177.381 176.505 0.876 1
1 400 . 13 1 1 A 41 41 SER N N 41 116.335 110.312 6.023 1
1 401 . 13 1 1 A 41 41 SER H H 41 8.278 8.083 0.195 1
1 402 . 13 1 1 A 41 41 SER CA C 41 58.331 56.951 1.380 1
1 403 . 13 1 1 A 41 41 SER HA H 41 4.514 4.813 -0.299 1
1 404 . 13 1 1 A 41 41 SER CB C 41 63.988 65.901 -1.913 1
1 407 . 13 1 1 A 41 41 SER C C 41 174.478 173.742 0.736 1
1 408 . 13 1 1 A 42 42 GLY N N 42 110.674 110.030 0.644 1
1 409 . 13 1 1 A 42 42 GLY H H 42 8.181 8.556 -0.375 1
1 410 . 13 1 1 A 42 42 GLY CA C 42 44.661 46.183 -1.522 1
1 411 . 13 1 1 A 42 42 GLY HA2 H 42 4.176 4.047 0.129 1
1 412 . 13 1 1 A 42 42 GLY HA3 H 42 4.100 4.047 0.053 1
1 413 . 13 1 1 A 42 42 GLY C C 42 171.721 175.186 -3.465 1
1 414 . 13 1 1 A 43 43 PRO CA C 43 63.345 63.292 0.053 1
1 415 . 13 1 1 A 43 43 PRO HA H 43 4.491 4.514 -0.023 1
1 416 . 13 1 1 A 43 43 PRO CB C 43 32.228 32.168 0.060 1
1 1 . 14 1 1 A 9 9 GLY CA C 9 45.305 46.732 -1.427 1
1 2 . 14 1 1 A 9 9 GLY HA2 H 9 3.909 3.832 0.077 1
1 3 . 14 1 1 A 9 9 GLY HA3 H 9 3.977 3.833 0.144 1
1 4 . 14 1 1 A 9 9 GLY C C 9 174.027 174.549 -0.522 1
1 5 . 14 1 1 A 10 10 GLU N N 10 120.322 121.365 -1.043 1
1 6 . 14 1 1 A 10 10 GLU H H 10 8.205 8.327 -0.122 1
1 7 . 14 1 1 A 10 10 GLU CA C 10 56.946 55.697 1.249 1
1 8 . 14 1 1 A 10 10 GLU HA H 10 4.186 4.435 -0.249 1
1 9 . 14 1 1 A 10 10 GLU CB C 10 30.386 30.175 0.211 1
1 15 . 14 1 1 A 10 10 GLU C C 10 176.270 176.872 -0.602 1
1 16 . 14 1 1 A 11 11 LYS N N 11 121.346 123.426 -2.080 1
1 17 . 14 1 1 A 11 11 LYS H H 11 8.235 8.426 -0.191 1
1 18 . 14 1 1 A 11 11 LYS CA C 11 53.873 55.432 -1.559 1
1 19 . 14 1 1 A 11 11 LYS HA H 11 4.584 4.267 0.317 1
1 20 . 14 1 1 A 11 11 LYS CB C 11 33.141 32.155 0.986 1
1 32 . 14 1 1 A 11 11 LYS C C 11 174.194 176.767 -2.573 1
1 33 . 14 1 1 A 12 12 PRO CA C 12 63.602 64.440 -0.838 1
1 34 . 14 1 1 A 12 12 PRO HA H 12 4.297 4.365 -0.068 1
1 35 . 14 1 1 A 12 12 PRO CB C 12 32.253 31.720 0.533 1
1 44 . 14 1 1 A 12 12 PRO C C 12 176.307 175.593 0.714 1
1 45 . 14 1 1 A 13 13 TYR N N 13 118.127 119.177 -1.050 1
1 46 . 14 1 1 A 13 13 TYR H H 13 7.888 7.245 0.643 1
1 47 . 14 1 1 A 13 13 TYR CA C 13 57.331 56.562 0.769 1
1 48 . 14 1 1 A 13 13 TYR HA H 13 4.744 5.354 -0.610 1
1 49 . 14 1 1 A 13 13 TYR CB C 13 39.167 41.638 -2.471 1
1 60 . 14 1 1 A 13 13 TYR C C 13 175.007 175.177 -0.170 1
1 61 . 14 1 1 A 14 14 SER N N 14 117.730 115.274 2.456 1
1 62 . 14 1 1 A 14 14 SER H H 14 8.673 9.106 -0.433 1
1 63 . 14 1 1 A 14 14 SER CA C 14 57.166 57.183 -0.017 1
1 64 . 14 1 1 A 14 14 SER HA H 14 5.308 5.394 -0.086 1
1 65 . 14 1 1 A 14 14 SER CB C 14 65.510 66.248 -0.738 1
1 68 . 14 1 1 A 14 14 SER C C 14 173.013 172.732 0.281 1
1 69 . 14 1 1 A 15 15 CYS N N 15 125.795 123.195 2.600 1
1 70 . 14 1 1 A 15 15 CYS H H 15 9.205 9.300 -0.095 1
1 71 . 14 1 1 A 15 15 CYS CA C 15 59.676 58.305 1.371 1
1 72 . 14 1 1 A 15 15 CYS HA H 15 4.541 4.903 -0.362 1
1 73 . 14 1 1 A 15 15 CYS CB C 15 29.996 28.573 1.423 1
1 76 . 14 1 1 A 15 15 CYS C C 15 177.406 175.904 1.502 1
1 77 . 14 1 1 A 16 16 ASN N N 16 130.048 122.859 7.189 1
1 78 . 14 1 1 A 16 16 ASN H H 16 9.338 9.021 0.317 1
1 79 . 14 1 1 A 16 16 ASN CA C 16 55.280 53.181 2.099 1
1 80 . 14 1 1 A 16 16 ASN HA H 16 4.549 4.820 -0.271 1
1 81 . 14 1 1 A 16 16 ASN CB C 16 37.925 38.216 -0.291 1
1 87 . 14 1 1 A 16 16 ASN C C 16 174.862 174.358 0.504 1
1 88 . 14 1 1 A 17 17 VAL N N 17 123.044 117.512 5.532 1
1 89 . 14 1 1 A 17 17 VAL H H 17 9.097 8.069 1.028 1
1 90 . 14 1 1 A 17 17 VAL CA C 17 65.187 63.560 1.627 1
1 91 . 14 1 1 A 17 17 VAL HA H 17 3.802 4.202 -0.400 1
1 92 . 14 1 1 A 17 17 VAL CB C 17 32.789 33.626 -0.837 1
1 102 . 14 1 1 A 17 17 VAL C C 17 177.200 177.190 0.010 1
1 103 . 14 1 1 A 18 18 CYS N N 18 116.865 115.607 1.258 1
1 104 . 14 1 1 A 18 18 CYS H H 18 8.480 7.651 0.829 1
1 105 . 14 1 1 A 18 18 CYS CA C 18 58.318 59.325 -1.007 1
1 106 . 14 1 1 A 18 18 CYS HA H 18 5.171 4.668 0.503 1
1 107 . 14 1 1 A 18 18 CYS CB C 18 32.802 30.099 2.703 1
1 110 . 14 1 1 A 18 18 CYS C C 18 176.592 175.288 1.304 1
1 111 . 14 1 1 A 19 19 GLY N N 19 113.414 108.935 4.479 1
1 112 . 14 1 1 A 19 19 GLY H H 19 8.031 8.208 -0.177 1
1 113 . 14 1 1 A 19 19 GLY CA C 19 46.207 45.992 0.215 1
1 114 . 14 1 1 A 19 19 GLY HA2 H 19 3.888 4.063 -0.175 1
1 115 . 14 1 1 A 19 19 GLY HA3 H 19 4.255 4.075 0.180 1
1 116 . 14 1 1 A 19 19 GLY C C 19 174.005 173.645 0.360 1
1 117 . 14 1 1 A 20 20 LYS N N 20 124.005 121.229 2.776 1
1 118 . 14 1 1 A 20 20 LYS H H 20 7.996 8.075 -0.079 1
1 119 . 14 1 1 A 20 20 LYS CA C 20 58.589 54.956 3.633 1
1 120 . 14 1 1 A 20 20 LYS HA H 20 3.899 4.990 -1.091 1
1 121 . 14 1 1 A 20 20 LYS CB C 20 33.573 36.291 -2.718 1
1 133 . 14 1 1 A 20 20 LYS C C 20 173.550 174.071 -0.521 1
1 134 . 14 1 1 A 21 21 ALA N N 21 124.604 124.086 0.518 1
1 135 . 14 1 1 A 21 21 ALA H H 21 7.779 8.331 -0.552 1
1 136 . 14 1 1 A 21 21 ALA CA C 21 50.576 50.351 0.225 1
1 137 . 14 1 1 A 21 21 ALA HA H 21 5.141 5.284 -0.143 1
1 138 . 14 1 1 A 21 21 ALA CB C 21 22.100 22.954 -0.854 1
1 142 . 14 1 1 A 21 21 ALA C C 21 176.396 174.863 1.533 1
1 143 . 14 1 1 A 22 22 PHE N N 22 116.766 117.006 -0.240 1
1 144 . 14 1 1 A 22 22 PHE H H 22 8.741 8.976 -0.235 1
1 145 . 14 1 1 A 22 22 PHE CA C 22 57.289 56.677 0.612 1
1 146 . 14 1 1 A 22 22 PHE HA H 22 4.820 5.069 -0.249 1
1 147 . 14 1 1 A 22 22 PHE CB C 22 44.102 43.674 0.428 1
1 160 . 14 1 1 A 22 22 PHE C C 22 174.919 175.726 -0.807 1
1 161 . 14 1 1 A 23 23 VAL N N 23 120.073 121.053 -0.980 1
1 162 . 14 1 1 A 23 23 VAL H H 23 9.112 8.889 0.223 1
1 163 . 14 1 1 A 23 23 VAL CA C 23 65.090 64.547 0.543 1
1 164 . 14 1 1 A 23 23 VAL HA H 23 4.199 4.258 -0.059 1
1 165 . 14 1 1 A 23 23 VAL CB C 23 32.938 32.685 0.253 1
1 175 . 14 1 1 A 23 23 VAL C C 23 175.563 176.472 -0.909 1
1 176 . 14 1 1 A 24 24 LEU N N 24 115.397 119.709 -4.312 1
1 177 . 14 1 1 A 24 24 LEU H H 24 7.329 8.002 -0.673 1
1 178 . 14 1 1 A 24 24 LEU CA C 24 52.640 53.084 -0.444 1
1 179 . 14 1 1 A 24 24 LEU HA H 24 4.798 4.705 0.093 1
1 180 . 14 1 1 A 24 24 LEU CB C 24 43.962 44.240 -0.278 1
1 193 . 14 1 1 A 24 24 LEU C C 24 177.817 176.740 1.077 1
1 194 . 14 1 1 A 25 25 SER N N 25 121.327 115.920 5.407 1
1 195 . 14 1 1 A 25 25 SER H H 25 8.467 8.636 -0.169 1
1 196 . 14 1 1 A 25 25 SER CA C 25 60.968 60.966 0.002 1
1 197 . 14 1 1 A 25 25 SER HA H 25 3.074 3.085 -0.011 1
1 198 . 14 1 1 A 25 25 SER CB C 25 61.619 62.186 -0.567 1
1 201 . 14 1 1 A 25 25 SER C C 25 177.184 176.069 1.115 1
1 202 . 14 1 1 A 26 26 ALA CA C 26 55.062 55.180 -0.118 1
1 203 . 14 1 1 A 26 26 ALA HA H 26 4.055 3.885 0.170 1
1 204 . 14 1 1 A 26 26 ALA CB C 26 18.357 18.653 -0.296 1
1 208 . 14 1 1 A 26 26 ALA C C 26 180.290 180.044 0.246 1
1 209 . 14 1 1 A 27 27 HIS N N 27 115.252 116.191 -0.939 1
1 210 . 14 1 1 A 27 27 HIS H H 27 6.767 8.010 -1.243 1
1 211 . 14 1 1 A 27 27 HIS CA C 27 56.633 59.286 -2.653 1
1 212 . 14 1 1 A 27 27 HIS HA H 27 4.410 4.337 0.073 1
1 213 . 14 1 1 A 27 27 HIS CB C 27 31.638 30.267 1.371 1
1 220 . 14 1 1 A 27 27 HIS C C 27 178.478 177.423 1.055 1
1 221 . 14 1 1 A 28 28 LEU N N 28 122.106 120.196 1.910 1
1 222 . 14 1 1 A 28 28 LEU H H 28 6.996 7.790 -0.794 1
1 223 . 14 1 1 A 28 28 LEU CA C 28 57.746 57.286 0.460 1
1 224 . 14 1 1 A 28 28 LEU HA H 28 3.230 1.992 1.238 1
1 225 . 14 1 1 A 28 28 LEU CB C 28 39.918 41.054 -1.136 1
1 238 . 14 1 1 A 28 28 LEU C C 28 177.325 178.355 -1.030 1
1 239 . 14 1 1 A 29 29 ASN N N 29 116.979 116.221 0.758 1
1 240 . 14 1 1 A 29 29 ASN H H 29 8.235 8.282 -0.047 1
1 241 . 14 1 1 A 29 29 ASN CA C 29 56.666 56.516 0.150 1
1 242 . 14 1 1 A 29 29 ASN HA H 29 4.311 4.396 -0.085 1
1 243 . 14 1 1 A 29 29 ASN CB C 29 37.848 37.701 0.147 1
1 249 . 14 1 1 A 29 29 ASN C C 29 177.975 178.482 -0.507 1
1 250 . 14 1 1 A 30 30 GLN N N 30 117.598 118.896 -1.298 1
1 251 . 14 1 1 A 30 30 GLN H H 30 7.545 8.325 -0.780 1
1 252 . 14 1 1 A 30 30 GLN CA C 30 58.522 58.589 -0.067 1
1 253 . 14 1 1 A 30 30 GLN HA H 30 4.017 4.018 -0.001 1
1 254 . 14 1 1 A 30 30 GLN CB C 30 28.526 29.247 -0.721 1
1 263 . 14 1 1 A 30 30 GLN C C 30 178.093 178.564 -0.471 1
1 264 . 14 1 1 A 31 31 HIS N N 31 120.149 121.498 -1.349 1
1 265 . 14 1 1 A 31 31 HIS H H 31 7.634 7.686 -0.052 1
1 266 . 14 1 1 A 31 31 HIS CA C 31 59.164 59.480 -0.316 1
1 267 . 14 1 1 A 31 31 HIS HA H 31 4.230 4.252 -0.022 1
1 268 . 14 1 1 A 31 31 HIS CB C 31 28.669 30.093 -1.424 1
1 275 . 14 1 1 A 31 31 HIS C C 31 176.050 176.676 -0.626 1
1 276 . 14 1 1 A 32 32 LEU N N 32 117.026 118.887 -1.861 1
1 277 . 14 1 1 A 32 32 LEU H H 32 8.303 8.297 0.006 1
1 278 . 14 1 1 A 32 32 LEU CA C 32 58.266 57.671 0.595 1
1 279 . 14 1 1 A 32 32 LEU HA H 32 3.824 3.796 0.028 1
1 280 . 14 1 1 A 32 32 LEU CB C 32 42.032 41.316 0.716 1
1 293 . 14 1 1 A 32 32 LEU C C 32 178.896 179.174 -0.278 1
1 294 . 14 1 1 A 33 33 ARG N N 33 116.212 118.891 -2.679 1
1 295 . 14 1 1 A 33 33 ARG H H 33 7.064 8.313 -1.249 1
1 296 . 14 1 1 A 33 33 ARG CA C 33 58.296 59.628 -1.332 1
1 297 . 14 1 1 A 33 33 ARG HA H 33 4.101 3.940 0.161 1
1 298 . 14 1 1 A 33 33 ARG CB C 33 29.962 30.020 -0.058 1
1 307 . 14 1 1 A 33 33 ARG C C 33 178.559 178.817 -0.258 1
1 308 . 14 1 1 A 34 34 VAL N N 34 116.383 116.332 0.051 1
1 309 . 14 1 1 A 34 34 VAL H H 34 7.963 7.480 0.483 1
1 310 . 14 1 1 A 34 34 VAL CA C 34 64.107 64.788 -0.681 1
1 311 . 14 1 1 A 34 34 VAL HA H 34 3.911 3.814 0.097 1
1 312 . 14 1 1 A 34 34 VAL CB C 34 31.048 31.166 -0.118 1
1 322 . 14 1 1 A 34 34 VAL C C 34 177.493 176.856 0.637 1
1 323 . 14 1 1 A 35 35 HIS N N 35 116.627 120.121 -3.494 1
1 324 . 14 1 1 A 35 35 HIS H H 35 7.182 7.704 -0.522 1
1 325 . 14 1 1 A 35 35 HIS CA C 35 55.246 58.050 -2.804 1
1 326 . 14 1 1 A 35 35 HIS HA H 35 4.912 4.512 0.400 1
1 327 . 14 1 1 A 35 35 HIS CB C 35 28.593 30.689 -2.096 1
1 334 . 14 1 1 A 35 35 HIS C C 35 175.599 177.364 -1.765 1
1 335 . 14 1 1 A 36 36 THR N N 36 113.157 113.914 -0.757 1
1 336 . 14 1 1 A 36 36 THR H H 36 7.751 8.799 -1.048 1
1 337 . 14 1 1 A 36 36 THR CA C 36 62.698 65.255 -2.557 1
1 338 . 14 1 1 A 36 36 THR HA H 36 4.345 3.910 0.435 1
1 339 . 14 1 1 A 36 36 THR CB C 36 69.800 69.057 0.743 1
1 345 . 14 1 1 A 36 36 THR C C 36 174.754 176.828 -2.074 1
1 346 . 14 1 1 A 37 37 GLN N N 37 121.531 117.147 4.384 1
1 347 . 14 1 1 A 37 37 GLN H H 37 8.263 8.044 0.219 1
1 348 . 14 1 1 A 37 37 GLN CA C 37 56.362 57.734 -1.372 1
1 349 . 14 1 1 A 37 37 GLN HA H 37 4.337 4.205 0.132 1
1 350 . 14 1 1 A 37 37 GLN CB C 37 29.282 28.240 1.042 1
1 359 . 14 1 1 A 37 37 GLN C C 37 176.193 175.614 0.579 1
1 360 . 14 1 1 A 38 38 GLU N N 38 121.589 116.722 4.867 1
1 361 . 14 1 1 A 38 38 GLU H H 38 8.347 7.601 0.746 1
1 362 . 14 1 1 A 38 38 GLU CA C 38 57.138 54.708 2.430 1
1 363 . 14 1 1 A 38 38 GLU HA H 38 4.312 4.800 -0.488 1
1 364 . 14 1 1 A 38 38 GLU CB C 38 30.433 32.193 -1.760 1
1 370 . 14 1 1 A 38 38 GLU C C 38 176.848 176.274 0.574 1
1 371 . 14 1 1 A 39 39 THR N N 39 115.160 117.527 -2.367 1
1 372 . 14 1 1 A 39 39 THR H H 39 8.173 8.576 -0.403 1
1 373 . 14 1 1 A 39 39 THR CA C 39 61.834 65.428 -3.594 1
1 374 . 14 1 1 A 39 39 THR HA H 39 4.376 4.251 0.125 1
1 375 . 14 1 1 A 39 39 THR CB C 39 69.909 69.570 0.339 1
1 381 . 14 1 1 A 39 39 THR C C 39 174.596 174.160 0.436 1
1 382 . 14 1 1 A 40 40 LEU N N 40 124.714 120.299 4.415 1
1 383 . 14 1 1 A 40 40 LEU H H 40 8.266 7.924 0.342 1
1 384 . 14 1 1 A 40 40 LEU CA C 40 55.357 53.834 1.523 1
1 385 . 14 1 1 A 40 40 LEU HA H 40 4.415 4.572 -0.157 1
1 386 . 14 1 1 A 40 40 LEU CB C 40 42.326 41.597 0.729 1
1 399 . 14 1 1 A 40 40 LEU C C 40 177.381 176.521 0.860 1
1 400 . 14 1 1 A 41 41 SER N N 41 116.335 117.222 -0.887 1
1 401 . 14 1 1 A 41 41 SER H H 41 8.278 8.706 -0.428 1
1 402 . 14 1 1 A 41 41 SER CA C 41 58.331 58.896 -0.565 1
1 403 . 14 1 1 A 41 41 SER HA H 41 4.514 4.611 -0.097 1
1 404 . 14 1 1 A 41 41 SER CB C 41 63.988 64.580 -0.592 1
1 407 . 14 1 1 A 41 41 SER C C 41 174.478 175.319 -0.841 1
1 408 . 14 1 1 A 42 42 GLY N N 42 110.674 109.950 0.724 1
1 409 . 14 1 1 A 42 42 GLY H H 42 8.181 8.122 0.059 1
1 410 . 14 1 1 A 42 42 GLY CA C 42 44.661 44.752 -0.091 1
1 411 . 14 1 1 A 42 42 GLY HA2 H 42 4.176 4.119 0.057 1
1 412 . 14 1 1 A 42 42 GLY HA3 H 42 4.100 4.128 -0.028 1
1 413 . 14 1 1 A 42 42 GLY C C 42 171.721 174.639 -2.918 1
1 414 . 14 1 1 A 43 43 PRO CA C 43 63.345 64.892 -1.547 1
1 415 . 14 1 1 A 43 43 PRO HA H 43 4.491 4.432 0.059 1
1 416 . 14 1 1 A 43 43 PRO CB C 43 32.228 31.977 0.251 1
1 1 . 15 1 1 A 9 9 GLY CA C 9 45.305 44.493 0.812 1
1 2 . 15 1 1 A 9 9 GLY HA2 H 9 3.909 4.052 -0.143 1
1 3 . 15 1 1 A 9 9 GLY HA3 H 9 3.977 4.055 -0.078 1
1 4 . 15 1 1 A 9 9 GLY C C 9 174.027 172.806 1.221 1
1 5 . 15 1 1 A 10 10 GLU N N 10 120.322 120.604 -0.282 1
1 6 . 15 1 1 A 10 10 GLU H H 10 8.205 8.457 -0.252 1
1 7 . 15 1 1 A 10 10 GLU CA C 10 56.946 56.302 0.644 1
1 8 . 15 1 1 A 10 10 GLU HA H 10 4.186 4.589 -0.403 1
1 9 . 15 1 1 A 10 10 GLU CB C 10 30.386 30.623 -0.237 1
1 15 . 15 1 1 A 10 10 GLU C C 10 176.270 176.124 0.146 1
1 16 . 15 1 1 A 11 11 LYS N N 11 121.346 125.713 -4.367 1
1 17 . 15 1 1 A 11 11 LYS H H 11 8.235 8.918 -0.683 1
1 18 . 15 1 1 A 11 11 LYS CA C 11 53.873 53.051 0.822 1
1 19 . 15 1 1 A 11 11 LYS HA H 11 4.584 4.752 -0.168 1
1 20 . 15 1 1 A 11 11 LYS CB C 11 33.141 33.107 0.034 1
1 32 . 15 1 1 A 11 11 LYS C C 11 174.194 176.343 -2.149 1
1 33 . 15 1 1 A 12 12 PRO CA C 12 63.602 64.847 -1.245 1
1 34 . 15 1 1 A 12 12 PRO HA H 12 4.297 4.284 0.013 1
1 35 . 15 1 1 A 12 12 PRO CB C 12 32.253 31.851 0.402 1
1 44 . 15 1 1 A 12 12 PRO C C 12 176.307 175.854 0.453 1
1 45 . 15 1 1 A 13 13 TYR N N 13 118.127 119.148 -1.021 1
1 46 . 15 1 1 A 13 13 TYR H H 13 7.888 7.465 0.423 1
1 47 . 15 1 1 A 13 13 TYR CA C 13 57.331 57.429 -0.098 1
1 48 . 15 1 1 A 13 13 TYR HA H 13 4.744 5.059 -0.315 1
1 49 . 15 1 1 A 13 13 TYR CB C 13 39.167 41.182 -2.015 1
1 60 . 15 1 1 A 13 13 TYR C C 13 175.007 175.095 -0.088 1
1 61 . 15 1 1 A 14 14 SER N N 14 117.730 114.723 3.007 1
1 62 . 15 1 1 A 14 14 SER H H 14 8.673 9.079 -0.406 1
1 63 . 15 1 1 A 14 14 SER CA C 14 57.166 57.597 -0.431 1
1 64 . 15 1 1 A 14 14 SER HA H 14 5.308 5.228 0.080 1
1 65 . 15 1 1 A 14 14 SER CB C 14 65.510 66.395 -0.885 1
1 68 . 15 1 1 A 14 14 SER C C 14 173.013 172.114 0.899 1
1 69 . 15 1 1 A 15 15 CYS N N 15 125.795 121.548 4.247 1
1 70 . 15 1 1 A 15 15 CYS H H 15 9.205 8.975 0.230 1
1 71 . 15 1 1 A 15 15 CYS CA C 15 59.676 57.753 1.923 1
1 72 . 15 1 1 A 15 15 CYS HA H 15 4.541 5.057 -0.516 1
1 73 . 15 1 1 A 15 15 CYS CB C 15 29.996 29.813 0.183 1
1 76 . 15 1 1 A 15 15 CYS C C 15 177.406 176.149 1.257 1
1 77 . 15 1 1 A 16 16 ASN N N 16 130.048 122.756 7.292 1
1 78 . 15 1 1 A 16 16 ASN H H 16 9.338 8.547 0.791 1
1 79 . 15 1 1 A 16 16 ASN CA C 16 55.280 53.467 1.813 1
1 80 . 15 1 1 A 16 16 ASN HA H 16 4.549 4.764 -0.215 1
1 81 . 15 1 1 A 16 16 ASN CB C 16 37.925 39.275 -1.350 1
1 87 . 15 1 1 A 16 16 ASN C C 16 174.862 177.212 -2.350 1
1 88 . 15 1 1 A 17 17 VAL N N 17 123.044 120.325 2.719 1
1 89 . 15 1 1 A 17 17 VAL H H 17 9.097 7.354 1.743 1
1 90 . 15 1 1 A 17 17 VAL CA C 17 65.187 66.698 -1.511 1
1 91 . 15 1 1 A 17 17 VAL HA H 17 3.802 3.444 0.358 1
1 92 . 15 1 1 A 17 17 VAL CB C 17 32.789 31.239 1.550 1
1 102 . 15 1 1 A 17 17 VAL C C 17 177.200 177.271 -0.071 1
1 103 . 15 1 1 A 18 18 CYS N N 18 116.865 114.819 2.046 1
1 104 . 15 1 1 A 18 18 CYS H H 18 8.480 7.394 1.086 1
1 105 . 15 1 1 A 18 18 CYS CA C 18 58.318 59.420 -1.102 1
1 106 . 15 1 1 A 18 18 CYS HA H 18 5.171 4.638 0.533 1
1 107 . 15 1 1 A 18 18 CYS CB C 18 32.802 30.083 2.719 1
1 110 . 15 1 1 A 18 18 CYS C C 18 176.592 175.295 1.297 1
1 111 . 15 1 1 A 19 19 GLY N N 19 113.414 110.018 3.396 1
1 112 . 15 1 1 A 19 19 GLY H H 19 8.031 8.407 -0.376 1
1 113 . 15 1 1 A 19 19 GLY CA C 19 46.207 46.269 -0.062 1
1 114 . 15 1 1 A 19 19 GLY HA2 H 19 3.888 3.994 -0.106 1
1 115 . 15 1 1 A 19 19 GLY HA3 H 19 4.255 4.005 0.250 1
1 116 . 15 1 1 A 19 19 GLY C C 19 174.005 173.894 0.111 1
1 117 . 15 1 1 A 20 20 LYS N N 20 124.005 120.212 3.793 1
1 118 . 15 1 1 A 20 20 LYS H H 20 7.996 7.688 0.308 1
1 119 . 15 1 1 A 20 20 LYS CA C 20 58.589 54.585 4.004 1
1 120 . 15 1 1 A 20 20 LYS HA H 20 3.899 4.885 -0.986 1
1 121 . 15 1 1 A 20 20 LYS CB C 20 33.573 35.732 -2.159 1
1 133 . 15 1 1 A 20 20 LYS C C 20 173.550 174.422 -0.872 1
1 134 . 15 1 1 A 21 21 ALA N N 21 124.604 123.444 1.160 1
1 135 . 15 1 1 A 21 21 ALA H H 21 7.779 8.198 -0.419 1
1 136 . 15 1 1 A 21 21 ALA CA C 21 50.576 50.492 0.084 1
1 137 . 15 1 1 A 21 21 ALA HA H 21 5.141 5.203 -0.062 1
1 138 . 15 1 1 A 21 21 ALA CB C 21 22.100 23.009 -0.909 1
1 142 . 15 1 1 A 21 21 ALA C C 21 176.396 174.899 1.497 1
1 143 . 15 1 1 A 22 22 PHE N N 22 116.766 117.113 -0.347 1
1 144 . 15 1 1 A 22 22 PHE H H 22 8.741 8.819 -0.078 1
1 145 . 15 1 1 A 22 22 PHE CA C 22 57.289 56.605 0.684 1
1 146 . 15 1 1 A 22 22 PHE HA H 22 4.820 5.023 -0.203 1
1 147 . 15 1 1 A 22 22 PHE CB C 22 44.102 43.726 0.376 1
1 160 . 15 1 1 A 22 22 PHE C C 22 174.919 175.770 -0.851 1
1 161 . 15 1 1 A 23 23 VAL N N 23 120.073 121.374 -1.301 1
1 162 . 15 1 1 A 23 23 VAL H H 23 9.112 8.906 0.206 1
1 163 . 15 1 1 A 23 23 VAL CA C 23 65.090 65.063 0.027 1
1 164 . 15 1 1 A 23 23 VAL HA H 23 4.199 4.238 -0.039 1
1 165 . 15 1 1 A 23 23 VAL CB C 23 32.938 32.761 0.177 1
1 175 . 15 1 1 A 23 23 VAL C C 23 175.563 176.648 -1.085 1
1 176 . 15 1 1 A 24 24 LEU N N 24 115.397 119.580 -4.183 1
1 177 . 15 1 1 A 24 24 LEU H H 24 7.329 8.077 -0.748 1
1 178 . 15 1 1 A 24 24 LEU CA C 24 52.640 52.963 -0.323 1
1 179 . 15 1 1 A 24 24 LEU HA H 24 4.798 4.826 -0.028 1
1 180 . 15 1 1 A 24 24 LEU CB C 24 43.962 44.342 -0.380 1
1 193 . 15 1 1 A 24 24 LEU C C 24 177.817 176.759 1.058 1
1 194 . 15 1 1 A 25 25 SER N N 25 121.327 116.229 5.098 1
1 195 . 15 1 1 A 25 25 SER H H 25 8.467 8.578 -0.111 1
1 196 . 15 1 1 A 25 25 SER CA C 25 60.968 61.059 -0.091 1
1 197 . 15 1 1 A 25 25 SER HA H 25 3.074 3.221 -0.147 1
1 198 . 15 1 1 A 25 25 SER CB C 25 61.619 61.955 -0.336 1
1 201 . 15 1 1 A 25 25 SER C C 25 177.184 176.074 1.110 1
1 202 . 15 1 1 A 26 26 ALA CA C 26 55.062 55.282 -0.220 1
1 203 . 15 1 1 A 26 26 ALA HA H 26 4.055 3.865 0.190 1
1 204 . 15 1 1 A 26 26 ALA CB C 26 18.357 18.103 0.254 1
1 208 . 15 1 1 A 26 26 ALA C C 26 180.290 179.749 0.541 1
1 209 . 15 1 1 A 27 27 HIS N N 27 115.252 116.139 -0.887 1
1 210 . 15 1 1 A 27 27 HIS H H 27 6.767 7.808 -1.041 1
1 211 . 15 1 1 A 27 27 HIS CA C 27 56.633 59.278 -2.645 1
1 212 . 15 1 1 A 27 27 HIS HA H 27 4.410 4.317 0.093 1
1 213 . 15 1 1 A 27 27 HIS CB C 27 31.638 29.930 1.708 1
1 220 . 15 1 1 A 27 27 HIS C C 27 178.478 177.438 1.040 1
1 221 . 15 1 1 A 28 28 LEU N N 28 122.106 120.598 1.508 1
1 222 . 15 1 1 A 28 28 LEU H H 28 6.996 7.412 -0.416 1
1 223 . 15 1 1 A 28 28 LEU CA C 28 57.746 57.491 0.255 1
1 224 . 15 1 1 A 28 28 LEU HA H 28 3.230 2.405 0.825 1
1 225 . 15 1 1 A 28 28 LEU CB C 28 39.918 41.330 -1.412 1
1 238 . 15 1 1 A 28 28 LEU C C 28 177.325 178.350 -1.025 1
1 239 . 15 1 1 A 29 29 ASN N N 29 116.979 115.910 1.069 1
1 240 . 15 1 1 A 29 29 ASN H H 29 8.235 8.456 -0.221 1
1 241 . 15 1 1 A 29 29 ASN CA C 29 56.666 56.414 0.252 1
1 242 . 15 1 1 A 29 29 ASN HA H 29 4.311 4.334 -0.023 1
1 243 . 15 1 1 A 29 29 ASN CB C 29 37.848 37.917 -0.069 1
1 249 . 15 1 1 A 29 29 ASN C C 29 177.975 178.079 -0.104 1
1 250 . 15 1 1 A 30 30 GLN N N 30 117.598 118.044 -0.446 1
1 251 . 15 1 1 A 30 30 GLN H H 30 7.545 7.951 -0.406 1
1 252 . 15 1 1 A 30 30 GLN CA C 30 58.522 59.114 -0.592 1
1 253 . 15 1 1 A 30 30 GLN HA H 30 4.017 3.923 0.094 1
1 254 . 15 1 1 A 30 30 GLN CB C 30 28.526 28.104 0.422 1
1 263 . 15 1 1 A 30 30 GLN C C 30 178.093 178.493 -0.400 1
1 264 . 15 1 1 A 31 31 HIS N N 31 120.149 119.976 0.173 1
1 265 . 15 1 1 A 31 31 HIS H H 31 7.634 7.507 0.127 1
1 266 . 15 1 1 A 31 31 HIS CA C 31 59.164 59.832 -0.668 1
1 267 . 15 1 1 A 31 31 HIS HA H 31 4.230 4.226 0.004 1
1 268 . 15 1 1 A 31 31 HIS CB C 31 28.669 29.929 -1.260 1
1 275 . 15 1 1 A 31 31 HIS C C 31 176.050 176.962 -0.912 1
1 276 . 15 1 1 A 32 32 LEU N N 32 117.026 118.900 -1.874 1
1 277 . 15 1 1 A 32 32 LEU H H 32 8.303 8.437 -0.134 1
1 278 . 15 1 1 A 32 32 LEU CA C 32 58.266 57.730 0.536 1
1 279 . 15 1 1 A 32 32 LEU HA H 32 3.824 3.775 0.049 1
1 280 . 15 1 1 A 32 32 LEU CB C 32 42.032 41.494 0.538 1
1 293 . 15 1 1 A 32 32 LEU C C 32 178.896 179.063 -0.167 1
1 294 . 15 1 1 A 33 33 ARG N N 33 116.212 118.463 -2.251 1
1 295 . 15 1 1 A 33 33 ARG H H 33 7.064 8.094 -1.030 1
1 296 . 15 1 1 A 33 33 ARG CA C 33 58.296 59.859 -1.563 1
1 297 . 15 1 1 A 33 33 ARG HA H 33 4.101 3.845 0.256 1
1 298 . 15 1 1 A 33 33 ARG CB C 33 29.962 29.815 0.147 1
1 307 . 15 1 1 A 33 33 ARG C C 33 178.559 178.397 0.162 1
1 308 . 15 1 1 A 34 34 VAL N N 34 116.383 116.782 -0.399 1
1 309 . 15 1 1 A 34 34 VAL H H 34 7.963 7.641 0.322 1
1 310 . 15 1 1 A 34 34 VAL CA C 34 64.107 65.397 -1.290 1
1 311 . 15 1 1 A 34 34 VAL HA H 34 3.911 3.651 0.260 1
1 312 . 15 1 1 A 34 34 VAL CB C 34 31.048 31.006 0.042 1
1 322 . 15 1 1 A 34 34 VAL C C 34 177.493 176.970 0.523 1
1 323 . 15 1 1 A 35 35 HIS N N 35 116.627 119.409 -2.782 1
1 324 . 15 1 1 A 35 35 HIS H H 35 7.182 7.567 -0.385 1
1 325 . 15 1 1 A 35 35 HIS CA C 35 55.246 54.857 0.389 1
1 326 . 15 1 1 A 35 35 HIS HA H 35 4.912 4.689 0.223 1
1 327 . 15 1 1 A 35 35 HIS CB C 35 28.593 28.562 0.031 1
1 334 . 15 1 1 A 35 35 HIS C C 35 175.599 175.682 -0.083 1
1 335 . 15 1 1 A 36 36 THR N N 36 113.157 115.318 -2.161 1
1 336 . 15 1 1 A 36 36 THR H H 36 7.751 7.517 0.234 1
1 337 . 15 1 1 A 36 36 THR CA C 36 62.698 64.351 -1.653 1
1 338 . 15 1 1 A 36 36 THR HA H 36 4.345 4.198 0.147 1
1 339 . 15 1 1 A 36 36 THR CB C 36 69.800 69.754 0.046 1
1 345 . 15 1 1 A 36 36 THR C C 36 174.754 175.677 -0.923 1
1 346 . 15 1 1 A 37 37 GLN N N 37 121.531 116.703 4.828 1
1 347 . 15 1 1 A 37 37 GLN H H 37 8.263 8.070 0.193 1
1 348 . 15 1 1 A 37 37 GLN CA C 37 56.362 55.211 1.151 1
1 349 . 15 1 1 A 37 37 GLN HA H 37 4.337 4.514 -0.177 1
1 350 . 15 1 1 A 37 37 GLN CB C 37 29.282 29.711 -0.429 1
1 359 . 15 1 1 A 37 37 GLN C C 37 176.193 175.694 0.499 1
1 360 . 15 1 1 A 38 38 GLU N N 38 121.589 121.787 -0.198 1
1 361 . 15 1 1 A 38 38 GLU H H 38 8.347 7.906 0.441 1
1 362 . 15 1 1 A 38 38 GLU CA C 38 57.138 56.998 0.140 1
1 363 . 15 1 1 A 38 38 GLU HA H 38 4.312 4.282 0.030 1
1 364 . 15 1 1 A 38 38 GLU CB C 38 30.433 30.550 -0.117 1
1 370 . 15 1 1 A 38 38 GLU C C 38 176.848 176.430 0.418 1
1 371 . 15 1 1 A 39 39 THR N N 39 115.160 118.423 -3.263 1
1 372 . 15 1 1 A 39 39 THR H H 39 8.173 8.987 -0.814 1
1 373 . 15 1 1 A 39 39 THR CA C 39 61.834 62.926 -1.092 1
1 374 . 15 1 1 A 39 39 THR HA H 39 4.376 4.442 -0.066 1
1 375 . 15 1 1 A 39 39 THR CB C 39 69.909 69.693 0.216 1
1 381 . 15 1 1 A 39 39 THR C C 39 174.596 174.650 -0.054 1
1 382 . 15 1 1 A 40 40 LEU N N 40 124.714 121.926 2.788 1
1 383 . 15 1 1 A 40 40 LEU H H 40 8.266 7.743 0.523 1
1 384 . 15 1 1 A 40 40 LEU CA C 40 55.357 53.307 2.050 1
1 385 . 15 1 1 A 40 40 LEU HA H 40 4.415 4.693 -0.278 1
1 386 . 15 1 1 A 40 40 LEU CB C 40 42.326 43.115 -0.789 1
1 399 . 15 1 1 A 40 40 LEU C C 40 177.381 175.572 1.809 1
1 400 . 15 1 1 A 41 41 SER N N 41 116.335 120.497 -4.162 1
1 401 . 15 1 1 A 41 41 SER H H 41 8.278 8.745 -0.467 1
1 402 . 15 1 1 A 41 41 SER CA C 41 58.331 56.703 1.628 1
1 403 . 15 1 1 A 41 41 SER HA H 41 4.514 4.841 -0.327 1
1 404 . 15 1 1 A 41 41 SER CB C 41 63.988 64.430 -0.442 1
1 407 . 15 1 1 A 41 41 SER C C 41 174.478 174.402 0.076 1
1 408 . 15 1 1 A 42 42 GLY N N 42 110.674 116.749 -6.075 1
1 409 . 15 1 1 A 42 42 GLY H H 42 8.181 8.562 -0.381 1
1 410 . 15 1 1 A 42 42 GLY CA C 42 44.661 44.859 -0.198 1
1 411 . 15 1 1 A 42 42 GLY HA2 H 42 4.176 4.156 0.020 1
1 412 . 15 1 1 A 42 42 GLY HA3 H 42 4.100 4.157 -0.057 1
1 413 . 15 1 1 A 42 42 GLY C C 42 171.721 173.381 -1.660 1
1 414 . 15 1 1 A 43 43 PRO CA C 43 63.345 62.708 0.637 1
1 415 . 15 1 1 A 43 43 PRO HA H 43 4.491 4.759 -0.268 1
1 416 . 15 1 1 A 43 43 PRO CB C 43 32.228 31.701 0.527 1
1 1 . 16 1 1 A 9 9 GLY CA C 9 45.305 44.356 0.949 1
1 2 . 16 1 1 A 9 9 GLY HA2 H 9 3.909 4.410 -0.501 1
1 3 . 16 1 1 A 9 9 GLY HA3 H 9 3.977 4.413 -0.436 1
1 4 . 16 1 1 A 9 9 GLY C C 9 174.027 173.184 0.843 1
1 5 . 16 1 1 A 10 10 GLU N N 10 120.322 118.804 1.518 1
1 6 . 16 1 1 A 10 10 GLU H H 10 8.205 8.356 -0.151 1
1 7 . 16 1 1 A 10 10 GLU CA C 10 56.946 56.351 0.595 1
1 8 . 16 1 1 A 10 10 GLU HA H 10 4.186 4.288 -0.102 1
1 9 . 16 1 1 A 10 10 GLU CB C 10 30.386 30.033 0.353 1
1 15 . 16 1 1 A 10 10 GLU C C 10 176.270 176.247 0.023 1
1 16 . 16 1 1 A 11 11 LYS N N 11 121.346 121.709 -0.363 1
1 17 . 16 1 1 A 11 11 LYS H H 11 8.235 8.478 -0.243 1
1 18 . 16 1 1 A 11 11 LYS CA C 11 53.873 52.866 1.007 1
1 19 . 16 1 1 A 11 11 LYS HA H 11 4.584 4.787 -0.203 1
1 20 . 16 1 1 A 11 11 LYS CB C 11 33.141 33.965 -0.824 1
1 32 . 16 1 1 A 11 11 LYS C C 11 174.194 176.289 -2.095 1
1 33 . 16 1 1 A 12 12 PRO CA C 12 63.602 64.693 -1.091 1
1 34 . 16 1 1 A 12 12 PRO HA H 12 4.297 4.303 -0.006 1
1 35 . 16 1 1 A 12 12 PRO CB C 12 32.253 31.981 0.272 1
1 44 . 16 1 1 A 12 12 PRO C C 12 176.307 175.720 0.587 1
1 45 . 16 1 1 A 13 13 TYR N N 13 118.127 118.869 -0.742 1
1 46 . 16 1 1 A 13 13 TYR H H 13 7.888 7.365 0.523 1
1 47 . 16 1 1 A 13 13 TYR CA C 13 57.331 56.573 0.758 1
1 48 . 16 1 1 A 13 13 TYR HA H 13 4.744 5.375 -0.631 1
1 49 . 16 1 1 A 13 13 TYR CB C 13 39.167 41.361 -2.194 1
1 60 . 16 1 1 A 13 13 TYR C C 13 175.007 175.014 -0.007 1
1 61 . 16 1 1 A 14 14 SER N N 14 117.730 114.454 3.276 1
1 62 . 16 1 1 A 14 14 SER H H 14 8.673 8.949 -0.276 1
1 63 . 16 1 1 A 14 14 SER CA C 14 57.166 57.674 -0.508 1
1 64 . 16 1 1 A 14 14 SER HA H 14 5.308 5.270 0.038 1
1 65 . 16 1 1 A 14 14 SER CB C 14 65.510 66.495 -0.985 1
1 68 . 16 1 1 A 14 14 SER C C 14 173.013 172.366 0.647 1
1 69 . 16 1 1 A 15 15 CYS N N 15 125.795 122.340 3.455 1
1 70 . 16 1 1 A 15 15 CYS H H 15 9.205 8.983 0.222 1
1 71 . 16 1 1 A 15 15 CYS CA C 15 59.676 58.028 1.648 1
1 72 . 16 1 1 A 15 15 CYS HA H 15 4.541 4.909 -0.368 1
1 73 . 16 1 1 A 15 15 CYS CB C 15 29.996 29.429 0.567 1
1 76 . 16 1 1 A 15 15 CYS C C 15 177.406 176.280 1.126 1
1 77 . 16 1 1 A 16 16 ASN N N 16 130.048 122.786 7.262 1
1 78 . 16 1 1 A 16 16 ASN H H 16 9.338 8.556 0.782 1
1 79 . 16 1 1 A 16 16 ASN CA C 16 55.280 53.739 1.541 1
1 80 . 16 1 1 A 16 16 ASN HA H 16 4.549 4.731 -0.182 1
1 81 . 16 1 1 A 16 16 ASN CB C 16 37.925 39.604 -1.679 1
1 87 . 16 1 1 A 16 16 ASN C C 16 174.862 177.153 -2.291 1
1 88 . 16 1 1 A 17 17 VAL N N 17 123.044 120.255 2.789 1
1 89 . 16 1 1 A 17 17 VAL H H 17 9.097 7.847 1.250 1
1 90 . 16 1 1 A 17 17 VAL CA C 17 65.187 66.748 -1.561 1
1 91 . 16 1 1 A 17 17 VAL HA H 17 3.802 3.461 0.341 1
1 92 . 16 1 1 A 17 17 VAL CB C 17 32.789 31.273 1.516 1
1 102 . 16 1 1 A 17 17 VAL C C 17 177.200 177.434 -0.234 1
1 103 . 16 1 1 A 18 18 CYS N N 18 116.865 114.531 2.334 1
1 104 . 16 1 1 A 18 18 CYS H H 18 8.480 7.366 1.114 1
1 105 . 16 1 1 A 18 18 CYS CA C 18 58.318 59.474 -1.156 1
1 106 . 16 1 1 A 18 18 CYS HA H 18 5.171 4.571 0.600 1
1 107 . 16 1 1 A 18 18 CYS CB C 18 32.802 30.068 2.734 1
1 110 . 16 1 1 A 18 18 CYS C C 18 176.592 175.393 1.199 1
1 111 . 16 1 1 A 19 19 GLY N N 19 113.414 110.254 3.160 1
1 112 . 16 1 1 A 19 19 GLY H H 19 8.031 8.487 -0.456 1
1 113 . 16 1 1 A 19 19 GLY CA C 19 46.207 46.264 -0.057 1
1 114 . 16 1 1 A 19 19 GLY HA2 H 19 3.888 3.960 -0.072 1
1 115 . 16 1 1 A 19 19 GLY HA3 H 19 4.255 3.976 0.279 1
1 116 . 16 1 1 A 19 19 GLY C C 19 174.005 173.705 0.300 1
1 117 . 16 1 1 A 20 20 LYS N N 20 124.005 120.847 3.158 1
1 118 . 16 1 1 A 20 20 LYS H H 20 7.996 7.528 0.468 1
1 119 . 16 1 1 A 20 20 LYS CA C 20 58.589 54.562 4.027 1
1 120 . 16 1 1 A 20 20 LYS HA H 20 3.899 4.883 -0.984 1
1 121 . 16 1 1 A 20 20 LYS CB C 20 33.573 35.359 -1.786 1
1 133 . 16 1 1 A 20 20 LYS C C 20 173.550 174.207 -0.657 1
1 134 . 16 1 1 A 21 21 ALA N N 21 124.604 123.510 1.094 1
1 135 . 16 1 1 A 21 21 ALA H H 21 7.779 8.173 -0.394 1
1 136 . 16 1 1 A 21 21 ALA CA C 21 50.576 50.727 -0.151 1
1 137 . 16 1 1 A 21 21 ALA HA H 21 5.141 5.237 -0.096 1
1 138 . 16 1 1 A 21 21 ALA CB C 21 22.100 22.999 -0.899 1
1 142 . 16 1 1 A 21 21 ALA C C 21 176.396 174.825 1.571 1
1 143 . 16 1 1 A 22 22 PHE N N 22 116.766 117.878 -1.112 1
1 144 . 16 1 1 A 22 22 PHE H H 22 8.741 9.005 -0.264 1
1 145 . 16 1 1 A 22 22 PHE CA C 22 57.289 56.618 0.671 1
1 146 . 16 1 1 A 22 22 PHE HA H 22 4.820 5.006 -0.186 1
1 147 . 16 1 1 A 22 22 PHE CB C 22 44.102 43.354 0.748 1
1 160 . 16 1 1 A 22 22 PHE C C 22 174.919 175.845 -0.926 1
1 161 . 16 1 1 A 23 23 VAL N N 23 120.073 121.683 -1.610 1
1 162 . 16 1 1 A 23 23 VAL H H 23 9.112 8.842 0.270 1
1 163 . 16 1 1 A 23 23 VAL CA C 23 65.090 65.101 -0.011 1
1 164 . 16 1 1 A 23 23 VAL HA H 23 4.199 4.204 -0.005 1
1 165 . 16 1 1 A 23 23 VAL CB C 23 32.938 32.752 0.186 1
1 175 . 16 1 1 A 23 23 VAL C C 23 175.563 176.547 -0.984 1
1 176 . 16 1 1 A 24 24 LEU N N 24 115.397 119.759 -4.362 1
1 177 . 16 1 1 A 24 24 LEU H H 24 7.329 8.234 -0.905 1
1 178 . 16 1 1 A 24 24 LEU CA C 24 52.640 53.325 -0.685 1
1 179 . 16 1 1 A 24 24 LEU HA H 24 4.798 4.841 -0.043 1
1 180 . 16 1 1 A 24 24 LEU CB C 24 43.962 43.641 0.321 1
1 193 . 16 1 1 A 24 24 LEU C C 24 177.817 176.917 0.900 1
1 194 . 16 1 1 A 25 25 SER N N 25 121.327 117.011 4.316 1
1 195 . 16 1 1 A 25 25 SER H H 25 8.467 8.540 -0.073 1
1 196 . 16 1 1 A 25 25 SER CA C 25 60.968 60.560 0.408 1
1 197 . 16 1 1 A 25 25 SER HA H 25 3.074 2.808 0.266 1
1 198 . 16 1 1 A 25 25 SER CB C 25 61.619 62.232 -0.613 1
1 201 . 16 1 1 A 25 25 SER C C 25 177.184 176.440 0.744 1
1 202 . 16 1 1 A 26 26 ALA CA C 26 55.062 55.255 -0.193 1
1 203 . 16 1 1 A 26 26 ALA HA H 26 4.055 3.873 0.182 1
1 204 . 16 1 1 A 26 26 ALA CB C 26 18.357 18.326 0.031 1
1 208 . 16 1 1 A 26 26 ALA C C 26 180.290 179.832 0.458 1
1 209 . 16 1 1 A 27 27 HIS N N 27 115.252 116.060 -0.808 1
1 210 . 16 1 1 A 27 27 HIS H H 27 6.767 7.821 -1.054 1
1 211 . 16 1 1 A 27 27 HIS CA C 27 56.633 59.275 -2.642 1
1 212 . 16 1 1 A 27 27 HIS HA H 27 4.410 4.376 0.034 1
1 213 . 16 1 1 A 27 27 HIS CB C 27 31.638 29.805 1.833 1
1 220 . 16 1 1 A 27 27 HIS C C 27 178.478 177.447 1.031 1
1 221 . 16 1 1 A 28 28 LEU N N 28 122.106 120.882 1.224 1
1 222 . 16 1 1 A 28 28 LEU H H 28 6.996 7.905 -0.909 1
1 223 . 16 1 1 A 28 28 LEU CA C 28 57.746 57.485 0.261 1
1 224 . 16 1 1 A 28 28 LEU HA H 28 3.230 2.195 1.035 1
1 225 . 16 1 1 A 28 28 LEU CB C 28 39.918 41.125 -1.207 1
1 238 . 16 1 1 A 28 28 LEU C C 28 177.325 178.102 -0.777 1
1 239 . 16 1 1 A 29 29 ASN N N 29 116.979 116.068 0.911 1
1 240 . 16 1 1 A 29 29 ASN H H 29 8.235 8.426 -0.191 1
1 241 . 16 1 1 A 29 29 ASN CA C 29 56.666 56.467 0.199 1
1 242 . 16 1 1 A 29 29 ASN HA H 29 4.311 4.340 -0.029 1
1 243 . 16 1 1 A 29 29 ASN CB C 29 37.848 37.795 0.053 1
1 249 . 16 1 1 A 29 29 ASN C C 29 177.975 178.169 -0.194 1
1 250 . 16 1 1 A 30 30 GLN N N 30 117.598 118.044 -0.446 1
1 251 . 16 1 1 A 30 30 GLN H H 30 7.545 8.271 -0.726 1
1 252 . 16 1 1 A 30 30 GLN CA C 30 58.522 59.250 -0.728 1
1 253 . 16 1 1 A 30 30 GLN HA H 30 4.017 3.933 0.084 1
1 254 . 16 1 1 A 30 30 GLN CB C 30 28.526 28.052 0.474 1
1 263 . 16 1 1 A 30 30 GLN C C 30 178.093 178.747 -0.654 1
1 264 . 16 1 1 A 31 31 HIS N N 31 120.149 120.059 0.090 1
1 265 . 16 1 1 A 31 31 HIS H H 31 7.634 7.484 0.150 1
1 266 . 16 1 1 A 31 31 HIS CA C 31 59.164 59.869 -0.705 1
1 267 . 16 1 1 A 31 31 HIS HA H 31 4.230 4.349 -0.119 1
1 268 . 16 1 1 A 31 31 HIS CB C 31 28.669 30.328 -1.659 1
1 275 . 16 1 1 A 31 31 HIS C C 31 176.050 176.900 -0.850 1
1 276 . 16 1 1 A 32 32 LEU N N 32 117.026 118.826 -1.800 1
1 277 . 16 1 1 A 32 32 LEU H H 32 8.303 8.208 0.095 1
1 278 . 16 1 1 A 32 32 LEU CA C 32 58.266 57.557 0.709 1
1 279 . 16 1 1 A 32 32 LEU HA H 32 3.824 3.689 0.135 1
1 280 . 16 1 1 A 32 32 LEU CB C 32 42.032 41.540 0.492 1
1 293 . 16 1 1 A 32 32 LEU C C 32 178.896 178.713 0.183 1
1 294 . 16 1 1 A 33 33 ARG N N 33 116.212 118.517 -2.305 1
1 295 . 16 1 1 A 33 33 ARG H H 33 7.064 8.104 -1.040 1
1 296 . 16 1 1 A 33 33 ARG CA C 33 58.296 58.876 -0.580 1
1 297 . 16 1 1 A 33 33 ARG HA H 33 4.101 3.972 0.129 1
1 298 . 16 1 1 A 33 33 ARG CB C 33 29.962 29.788 0.174 1
1 307 . 16 1 1 A 33 33 ARG C C 33 178.559 178.068 0.491 1
1 308 . 16 1 1 A 34 34 VAL N N 34 116.383 116.542 -0.159 1
1 309 . 16 1 1 A 34 34 VAL H H 34 7.963 7.491 0.472 1
1 310 . 16 1 1 A 34 34 VAL CA C 34 64.107 64.869 -0.762 1
1 311 . 16 1 1 A 34 34 VAL HA H 34 3.911 3.824 0.087 1
1 312 . 16 1 1 A 34 34 VAL CB C 34 31.048 31.399 -0.351 1
1 322 . 16 1 1 A 34 34 VAL C C 34 177.493 176.346 1.147 1
1 323 . 16 1 1 A 35 35 HIS N N 35 116.627 119.159 -2.532 1
1 324 . 16 1 1 A 35 35 HIS H H 35 7.182 7.842 -0.660 1
1 325 . 16 1 1 A 35 35 HIS CA C 35 55.246 55.494 -0.248 1
1 326 . 16 1 1 A 35 35 HIS HA H 35 4.912 4.629 0.283 1
1 327 . 16 1 1 A 35 35 HIS CB C 35 28.593 29.048 -0.455 1
1 334 . 16 1 1 A 35 35 HIS C C 35 175.599 175.643 -0.044 1
1 335 . 16 1 1 A 36 36 THR N N 36 113.157 114.045 -0.888 1
1 336 . 16 1 1 A 36 36 THR H H 36 7.751 8.065 -0.314 1
1 337 . 16 1 1 A 36 36 THR CA C 36 62.698 62.501 0.197 1
1 338 . 16 1 1 A 36 36 THR HA H 36 4.345 4.566 -0.221 1
1 339 . 16 1 1 A 36 36 THR CB C 36 69.800 71.677 -1.877 1
1 345 . 16 1 1 A 36 36 THR C C 36 174.754 175.410 -0.656 1
1 346 . 16 1 1 A 37 37 GLN N N 37 121.531 117.231 4.300 1
1 347 . 16 1 1 A 37 37 GLN H H 37 8.263 8.184 0.079 1
1 348 . 16 1 1 A 37 37 GLN CA C 37 56.362 55.558 0.804 1
1 349 . 16 1 1 A 37 37 GLN HA H 37 4.337 4.315 0.022 1
1 350 . 16 1 1 A 37 37 GLN CB C 37 29.282 28.239 1.043 1
1 359 . 16 1 1 A 37 37 GLN C C 37 176.193 174.893 1.300 1
1 360 . 16 1 1 A 38 38 GLU N N 38 121.589 121.907 -0.318 1
1 361 . 16 1 1 A 38 38 GLU H H 38 8.347 7.685 0.662 1
1 362 . 16 1 1 A 38 38 GLU CA C 38 57.138 55.173 1.965 1
1 363 . 16 1 1 A 38 38 GLU HA H 38 4.312 4.814 -0.502 1
1 364 . 16 1 1 A 38 38 GLU CB C 38 30.433 31.145 -0.712 1
1 370 . 16 1 1 A 38 38 GLU C C 38 176.848 175.312 1.536 1
1 371 . 16 1 1 A 39 39 THR N N 39 115.160 123.161 -8.001 1
1 372 . 16 1 1 A 39 39 THR H H 39 8.173 8.768 -0.595 1
1 373 . 16 1 1 A 39 39 THR CA C 39 61.834 63.082 -1.248 1
1 374 . 16 1 1 A 39 39 THR HA H 39 4.376 4.327 0.049 1
1 375 . 16 1 1 A 39 39 THR CB C 39 69.909 69.299 0.610 1
1 381 . 16 1 1 A 39 39 THR C C 39 174.596 174.994 -0.398 1
1 382 . 16 1 1 A 40 40 LEU N N 40 124.714 128.323 -3.609 1
1 383 . 16 1 1 A 40 40 LEU H H 40 8.266 8.598 -0.332 1
1 384 . 16 1 1 A 40 40 LEU CA C 40 55.357 54.841 0.516 1
1 385 . 16 1 1 A 40 40 LEU HA H 40 4.415 4.205 0.210 1
1 386 . 16 1 1 A 40 40 LEU CB C 40 42.326 42.438 -0.112 1
1 399 . 16 1 1 A 40 40 LEU C C 40 177.381 177.054 0.327 1
1 400 . 16 1 1 A 41 41 SER N N 41 116.335 116.294 0.041 1
1 401 . 16 1 1 A 41 41 SER H H 41 8.278 8.574 -0.296 1
1 402 . 16 1 1 A 41 41 SER CA C 41 58.331 57.358 0.973 1
1 403 . 16 1 1 A 41 41 SER HA H 41 4.514 4.609 -0.095 1
1 404 . 16 1 1 A 41 41 SER CB C 41 63.988 64.028 -0.040 1
1 407 . 16 1 1 A 41 41 SER C C 41 174.478 175.342 -0.864 1
1 408 . 16 1 1 A 42 42 GLY N N 42 110.674 109.670 1.004 1
1 409 . 16 1 1 A 42 42 GLY H H 42 8.181 8.554 -0.373 1
1 410 . 16 1 1 A 42 42 GLY CA C 42 44.661 47.412 -2.751 1
1 411 . 16 1 1 A 42 42 GLY HA2 H 42 4.176 3.869 0.307 1
1 412 . 16 1 1 A 42 42 GLY HA3 H 42 4.100 3.869 0.231 1
1 413 . 16 1 1 A 42 42 GLY C C 42 171.721 174.523 -2.802 1
1 414 . 16 1 1 A 43 43 PRO CA C 43 63.345 62.825 0.520 1
1 415 . 16 1 1 A 43 43 PRO HA H 43 4.491 4.644 -0.153 1
1 416 . 16 1 1 A 43 43 PRO CB C 43 32.228 31.065 1.163 1
1 1 . 17 1 1 A 9 9 GLY CA C 9 45.305 43.850 1.455 1
1 2 . 17 1 1 A 9 9 GLY HA2 H 9 3.909 4.308 -0.399 1
1 3 . 17 1 1 A 9 9 GLY HA3 H 9 3.977 4.309 -0.332 1
1 4 . 17 1 1 A 9 9 GLY C C 9 174.027 171.735 2.292 1
1 5 . 17 1 1 A 10 10 GLU N N 10 120.322 120.312 0.010 1
1 6 . 17 1 1 A 10 10 GLU H H 10 8.205 8.549 -0.344 1
1 7 . 17 1 1 A 10 10 GLU CA C 10 56.946 55.842 1.104 1
1 8 . 17 1 1 A 10 10 GLU HA H 10 4.186 4.651 -0.465 1
1 9 . 17 1 1 A 10 10 GLU CB C 10 30.386 30.797 -0.411 1
1 15 . 17 1 1 A 10 10 GLU C C 10 176.270 175.421 0.849 1
1 16 . 17 1 1 A 11 11 LYS N N 11 121.346 125.578 -4.232 1
1 17 . 17 1 1 A 11 11 LYS H H 11 8.235 8.614 -0.379 1
1 18 . 17 1 1 A 11 11 LYS CA C 11 53.873 52.459 1.414 1
1 19 . 17 1 1 A 11 11 LYS HA H 11 4.584 4.820 -0.236 1
1 20 . 17 1 1 A 11 11 LYS CB C 11 33.141 34.105 -0.964 1
1 32 . 17 1 1 A 11 11 LYS C C 11 174.194 175.794 -1.600 1
1 33 . 17 1 1 A 12 12 PRO CA C 12 63.602 64.591 -0.989 1
1 34 . 17 1 1 A 12 12 PRO HA H 12 4.297 4.331 -0.034 1
1 35 . 17 1 1 A 12 12 PRO CB C 12 32.253 31.823 0.430 1
1 44 . 17 1 1 A 12 12 PRO C C 12 176.307 175.675 0.632 1
1 45 . 17 1 1 A 13 13 TYR N N 13 118.127 118.951 -0.824 1
1 46 . 17 1 1 A 13 13 TYR H H 13 7.888 7.130 0.758 1
1 47 . 17 1 1 A 13 13 TYR CA C 13 57.331 56.720 0.611 1
1 48 . 17 1 1 A 13 13 TYR HA H 13 4.744 5.316 -0.572 1
1 49 . 17 1 1 A 13 13 TYR CB C 13 39.167 41.612 -2.445 1
1 60 . 17 1 1 A 13 13 TYR C C 13 175.007 175.247 -0.240 1
1 61 . 17 1 1 A 14 14 SER N N 14 117.730 115.481 2.249 1
1 62 . 17 1 1 A 14 14 SER H H 14 8.673 9.055 -0.382 1
1 63 . 17 1 1 A 14 14 SER CA C 14 57.166 56.754 0.412 1
1 64 . 17 1 1 A 14 14 SER HA H 14 5.308 5.333 -0.025 1
1 65 . 17 1 1 A 14 14 SER CB C 14 65.510 66.363 -0.853 1
1 68 . 17 1 1 A 14 14 SER C C 14 173.013 172.612 0.401 1
1 69 . 17 1 1 A 15 15 CYS N N 15 125.795 122.219 3.576 1
1 70 . 17 1 1 A 15 15 CYS H H 15 9.205 9.205 0.000 1
1 71 . 17 1 1 A 15 15 CYS CA C 15 59.676 58.399 1.277 1
1 72 . 17 1 1 A 15 15 CYS HA H 15 4.541 4.954 -0.413 1
1 73 . 17 1 1 A 15 15 CYS CB C 15 29.996 29.638 0.358 1
1 76 . 17 1 1 A 15 15 CYS C C 15 177.406 175.956 1.450 1
1 77 . 17 1 1 A 16 16 ASN N N 16 130.048 122.033 8.015 1
1 78 . 17 1 1 A 16 16 ASN H H 16 9.338 8.809 0.529 1
1 79 . 17 1 1 A 16 16 ASN CA C 16 55.280 52.543 2.737 1
1 80 . 17 1 1 A 16 16 ASN HA H 16 4.549 5.066 -0.517 1
1 81 . 17 1 1 A 16 16 ASN CB C 16 37.925 38.142 -0.217 1
1 87 . 17 1 1 A 16 16 ASN C C 16 174.862 174.755 0.107 1
1 88 . 17 1 1 A 17 17 VAL N N 17 123.044 117.547 5.497 1
1 89 . 17 1 1 A 17 17 VAL H H 17 9.097 7.607 1.490 1
1 90 . 17 1 1 A 17 17 VAL CA C 17 65.187 63.538 1.649 1
1 91 . 17 1 1 A 17 17 VAL HA H 17 3.802 4.189 -0.387 1
1 92 . 17 1 1 A 17 17 VAL CB C 17 32.789 33.660 -0.871 1
1 102 . 17 1 1 A 17 17 VAL C C 17 177.200 177.154 0.046 1
1 103 . 17 1 1 A 18 18 CYS N N 18 116.865 115.520 1.345 1
1 104 . 17 1 1 A 18 18 CYS H H 18 8.480 7.627 0.853 1
1 105 . 17 1 1 A 18 18 CYS CA C 18 58.318 59.330 -1.012 1
1 106 . 17 1 1 A 18 18 CYS HA H 18 5.171 4.670 0.501 1
1 107 . 17 1 1 A 18 18 CYS CB C 18 32.802 30.113 2.689 1
1 110 . 17 1 1 A 18 18 CYS C C 18 176.592 175.295 1.297 1
1 111 . 17 1 1 A 19 19 GLY N N 19 113.414 109.151 4.263 1
1 112 . 17 1 1 A 19 19 GLY H H 19 8.031 8.171 -0.140 1
1 113 . 17 1 1 A 19 19 GLY CA C 19 46.207 45.766 0.441 1
1 114 . 17 1 1 A 19 19 GLY HA2 H 19 3.888 4.059 -0.171 1
1 115 . 17 1 1 A 19 19 GLY HA3 H 19 4.255 4.071 0.184 1
1 116 . 17 1 1 A 19 19 GLY C C 19 174.005 173.691 0.314 1
1 117 . 17 1 1 A 20 20 LYS N N 20 124.005 121.600 2.405 1
1 118 . 17 1 1 A 20 20 LYS H H 20 7.996 8.295 -0.299 1
1 119 . 17 1 1 A 20 20 LYS CA C 20 58.589 54.820 3.769 1
1 120 . 17 1 1 A 20 20 LYS HA H 20 3.899 5.010 -1.111 1
1 121 . 17 1 1 A 20 20 LYS CB C 20 33.573 36.343 -2.770 1
1 133 . 17 1 1 A 20 20 LYS C C 20 173.550 174.092 -0.542 1
1 134 . 17 1 1 A 21 21 ALA N N 21 124.604 124.442 0.162 1
1 135 . 17 1 1 A 21 21 ALA H H 21 7.779 8.414 -0.635 1
1 136 . 17 1 1 A 21 21 ALA CA C 21 50.576 50.699 -0.123 1
1 137 . 17 1 1 A 21 21 ALA HA H 21 5.141 5.121 0.020 1
1 138 . 17 1 1 A 21 21 ALA CB C 21 22.100 22.289 -0.189 1
1 142 . 17 1 1 A 21 21 ALA C C 21 176.396 175.345 1.051 1
1 143 . 17 1 1 A 22 22 PHE N N 22 116.766 119.512 -2.746 1
1 144 . 17 1 1 A 22 22 PHE H H 22 8.741 9.249 -0.508 1
1 145 . 17 1 1 A 22 22 PHE CA C 22 57.289 57.050 0.239 1
1 146 . 17 1 1 A 22 22 PHE HA H 22 4.820 4.948 -0.128 1
1 147 . 17 1 1 A 22 22 PHE CB C 22 44.102 43.237 0.865 1
1 160 . 17 1 1 A 22 22 PHE C C 22 174.919 175.798 -0.879 1
1 161 . 17 1 1 A 23 23 VAL N N 23 120.073 120.209 -0.136 1
1 162 . 17 1 1 A 23 23 VAL H H 23 9.112 8.896 0.216 1
1 163 . 17 1 1 A 23 23 VAL CA C 23 65.090 63.648 1.442 1
1 164 . 17 1 1 A 23 23 VAL HA H 23 4.199 4.297 -0.098 1
1 165 . 17 1 1 A 23 23 VAL CB C 23 32.938 32.950 -0.012 1
1 175 . 17 1 1 A 23 23 VAL C C 23 175.563 175.947 -0.384 1
1 176 . 17 1 1 A 24 24 LEU N N 24 115.397 119.828 -4.431 1
1 177 . 17 1 1 A 24 24 LEU H H 24 7.329 7.861 -0.532 1
1 178 . 17 1 1 A 24 24 LEU CA C 24 52.640 52.786 -0.146 1
1 179 . 17 1 1 A 24 24 LEU HA H 24 4.798 4.758 0.040 1
1 180 . 17 1 1 A 24 24 LEU CB C 24 43.962 44.449 -0.487 1
1 193 . 17 1 1 A 24 24 LEU C C 24 177.817 175.989 1.828 1
1 194 . 17 1 1 A 25 25 SER N N 25 121.327 115.705 5.622 1
1 195 . 17 1 1 A 25 25 SER H H 25 8.467 8.446 0.021 1
1 196 . 17 1 1 A 25 25 SER CA C 25 60.968 61.769 -0.801 1
1 197 . 17 1 1 A 25 25 SER HA H 25 3.074 3.407 -0.333 1
1 198 . 17 1 1 A 25 25 SER CB C 25 61.619 62.815 -1.196 1
1 201 . 17 1 1 A 25 25 SER C C 25 177.184 175.861 1.323 1
1 202 . 17 1 1 A 26 26 ALA CA C 26 55.062 55.302 -0.240 1
1 203 . 17 1 1 A 26 26 ALA HA H 26 4.055 3.888 0.167 1
1 204 . 17 1 1 A 26 26 ALA CB C 26 18.357 18.200 0.157 1
1 208 . 17 1 1 A 26 26 ALA C C 26 180.290 179.394 0.896 1
1 209 . 17 1 1 A 27 27 HIS N N 27 115.252 115.909 -0.657 1
1 210 . 17 1 1 A 27 27 HIS H H 27 6.767 7.736 -0.969 1
1 211 . 17 1 1 A 27 27 HIS CA C 27 56.633 59.405 -2.772 1
1 212 . 17 1 1 A 27 27 HIS HA H 27 4.410 4.175 0.235 1
1 213 . 17 1 1 A 27 27 HIS CB C 27 31.638 29.635 2.003 1
1 220 . 17 1 1 A 27 27 HIS C C 27 178.478 177.569 0.909 1
1 221 . 17 1 1 A 28 28 LEU N N 28 122.106 121.076 1.030 1
1 222 . 17 1 1 A 28 28 LEU H H 28 6.996 7.741 -0.745 1
1 223 . 17 1 1 A 28 28 LEU CA C 28 57.746 57.559 0.187 1
1 224 . 17 1 1 A 28 28 LEU HA H 28 3.230 2.801 0.429 1
1 225 . 17 1 1 A 28 28 LEU CB C 28 39.918 41.580 -1.662 1
1 238 . 17 1 1 A 28 28 LEU C C 28 177.325 178.678 -1.353 1
1 239 . 17 1 1 A 29 29 ASN N N 29 116.979 116.672 0.307 1
1 240 . 17 1 1 A 29 29 ASN H H 29 8.235 8.202 0.033 1
1 241 . 17 1 1 A 29 29 ASN CA C 29 56.666 56.341 0.325 1
1 242 . 17 1 1 A 29 29 ASN HA H 29 4.311 4.405 -0.094 1
1 243 . 17 1 1 A 29 29 ASN CB C 29 37.848 37.783 0.065 1
1 249 . 17 1 1 A 29 29 ASN C C 29 177.975 178.170 -0.195 1
1 250 . 17 1 1 A 30 30 GLN N N 30 117.598 118.245 -0.647 1
1 251 . 17 1 1 A 30 30 GLN H H 30 7.545 8.219 -0.674 1
1 252 . 17 1 1 A 30 30 GLN CA C 30 58.522 58.416 0.106 1
1 253 . 17 1 1 A 30 30 GLN HA H 30 4.017 4.022 -0.005 1
1 254 . 17 1 1 A 30 30 GLN CB C 30 28.526 28.753 -0.227 1
1 263 . 17 1 1 A 30 30 GLN C C 30 178.093 178.458 -0.365 1
1 264 . 17 1 1 A 31 31 HIS N N 31 120.149 121.614 -1.465 1
1 265 . 17 1 1 A 31 31 HIS H H 31 7.634 8.044 -0.410 1
1 266 . 17 1 1 A 31 31 HIS CA C 31 59.164 59.294 -0.130 1
1 267 . 17 1 1 A 31 31 HIS HA H 31 4.230 4.228 0.002 1
1 268 . 17 1 1 A 31 31 HIS CB C 31 28.669 29.883 -1.214 1
1 275 . 17 1 1 A 31 31 HIS C C 31 176.050 176.774 -0.724 1
1 276 . 17 1 1 A 32 32 LEU N N 32 117.026 119.108 -2.082 1
1 277 . 17 1 1 A 32 32 LEU H H 32 8.303 8.140 0.163 1
1 278 . 17 1 1 A 32 32 LEU CA C 32 58.266 57.898 0.368 1
1 279 . 17 1 1 A 32 32 LEU HA H 32 3.824 3.719 0.105 1
1 280 . 17 1 1 A 32 32 LEU CB C 32 42.032 41.495 0.537 1
1 293 . 17 1 1 A 32 32 LEU C C 32 178.896 179.268 -0.372 1
1 294 . 17 1 1 A 33 33 ARG N N 33 116.212 119.042 -2.830 1
1 295 . 17 1 1 A 33 33 ARG H H 33 7.064 7.835 -0.771 1
1 296 . 17 1 1 A 33 33 ARG CA C 33 58.296 59.329 -1.033 1
1 297 . 17 1 1 A 33 33 ARG HA H 33 4.101 3.961 0.140 1
1 298 . 17 1 1 A 33 33 ARG CB C 33 29.962 30.001 -0.039 1
1 307 . 17 1 1 A 33 33 ARG C C 33 178.559 178.771 -0.212 1
1 308 . 17 1 1 A 34 34 VAL N N 34 116.383 116.730 -0.347 1
1 309 . 17 1 1 A 34 34 VAL H H 34 7.963 7.771 0.192 1
1 310 . 17 1 1 A 34 34 VAL CA C 34 64.107 65.132 -1.025 1
1 311 . 17 1 1 A 34 34 VAL HA H 34 3.911 3.803 0.108 1
1 312 . 17 1 1 A 34 34 VAL CB C 34 31.048 30.942 0.106 1
1 322 . 17 1 1 A 34 34 VAL C C 34 177.493 177.323 0.170 1
1 323 . 17 1 1 A 35 35 HIS N N 35 116.627 120.311 -3.684 1
1 324 . 17 1 1 A 35 35 HIS H H 35 7.182 7.552 -0.370 1
1 325 . 17 1 1 A 35 35 HIS CA C 35 55.246 58.579 -3.333 1
1 326 . 17 1 1 A 35 35 HIS HA H 35 4.912 4.439 0.473 1
1 327 . 17 1 1 A 35 35 HIS CB C 35 28.593 30.558 -1.965 1
1 334 . 17 1 1 A 35 35 HIS C C 35 175.599 177.471 -1.872 1
1 335 . 17 1 1 A 36 36 THR N N 36 113.157 114.332 -1.175 1
1 336 . 17 1 1 A 36 36 THR H H 36 7.751 8.268 -0.517 1
1 337 . 17 1 1 A 36 36 THR CA C 36 62.698 65.404 -2.706 1
1 338 . 17 1 1 A 36 36 THR HA H 36 4.345 3.841 0.504 1
1 339 . 17 1 1 A 36 36 THR CB C 36 69.800 68.932 0.868 1
1 345 . 17 1 1 A 36 36 THR C C 36 174.754 175.622 -0.868 1
1 346 . 17 1 1 A 37 37 GLN N N 37 121.531 120.463 1.068 1
1 347 . 17 1 1 A 37 37 GLN H H 37 8.263 7.896 0.367 1
1 348 . 17 1 1 A 37 37 GLN CA C 37 56.362 54.782 1.580 1
1 349 . 17 1 1 A 37 37 GLN HA H 37 4.337 4.339 -0.002 1
1 350 . 17 1 1 A 37 37 GLN CB C 37 29.282 27.494 1.788 1
1 359 . 17 1 1 A 37 37 GLN C C 37 176.193 174.823 1.370 1
1 360 . 17 1 1 A 38 38 GLU N N 38 121.589 128.395 -6.806 1
1 361 . 17 1 1 A 38 38 GLU H H 38 8.347 8.908 -0.561 1
1 362 . 17 1 1 A 38 38 GLU CA C 38 57.138 57.014 0.124 1
1 363 . 17 1 1 A 38 38 GLU HA H 38 4.312 4.534 -0.222 1
1 364 . 17 1 1 A 38 38 GLU CB C 38 30.433 30.466 -0.033 1
1 370 . 17 1 1 A 38 38 GLU C C 38 176.848 175.427 1.421 1
1 371 . 17 1 1 A 39 39 THR N N 39 115.160 120.856 -5.696 1
1 372 . 17 1 1 A 39 39 THR H H 39 8.173 8.661 -0.488 1
1 373 . 17 1 1 A 39 39 THR CA C 39 61.834 59.937 1.897 1
1 374 . 17 1 1 A 39 39 THR HA H 39 4.376 4.966 -0.590 1
1 375 . 17 1 1 A 39 39 THR CB C 39 69.909 71.385 -1.476 1
1 381 . 17 1 1 A 39 39 THR C C 39 174.596 173.347 1.249 1
1 382 . 17 1 1 A 40 40 LEU N N 40 124.714 130.410 -5.696 1
1 383 . 17 1 1 A 40 40 LEU H H 40 8.266 8.733 -0.467 1
1 384 . 17 1 1 A 40 40 LEU CA C 40 55.357 56.281 -0.924 1
1 385 . 17 1 1 A 40 40 LEU HA H 40 4.415 4.321 0.094 1
1 386 . 17 1 1 A 40 40 LEU CB C 40 42.326 41.844 0.482 1
1 399 . 17 1 1 A 40 40 LEU C C 40 177.381 175.273 2.108 1
1 400 . 17 1 1 A 41 41 SER N N 41 116.335 120.965 -4.630 1
1 401 . 17 1 1 A 41 41 SER H H 41 8.278 8.628 -0.350 1
1 402 . 17 1 1 A 41 41 SER CA C 41 58.331 57.158 1.173 1
1 403 . 17 1 1 A 41 41 SER HA H 41 4.514 5.072 -0.558 1
1 404 . 17 1 1 A 41 41 SER CB C 41 63.988 66.263 -2.275 1
1 407 . 17 1 1 A 41 41 SER C C 41 174.478 173.119 1.359 1
1 408 . 17 1 1 A 42 42 GLY N N 42 110.674 113.704 -3.030 1
1 409 . 17 1 1 A 42 42 GLY H H 42 8.181 8.449 -0.268 1
1 410 . 17 1 1 A 42 42 GLY CA C 42 44.661 44.952 -0.291 1
1 411 . 17 1 1 A 42 42 GLY HA2 H 42 4.176 4.180 -0.004 1
1 412 . 17 1 1 A 42 42 GLY HA3 H 42 4.100 4.180 -0.080 1
1 413 . 17 1 1 A 42 42 GLY C C 42 171.721 173.867 -2.146 1
1 414 . 17 1 1 A 43 43 PRO CA C 43 63.345 64.930 -1.585 1
1 415 . 17 1 1 A 43 43 PRO HA H 43 4.491 4.462 0.029 1
1 416 . 17 1 1 A 43 43 PRO CB C 43 32.228 32.169 0.059 1
1 1 . 18 1 1 A 9 9 GLY CA C 9 45.305 44.517 0.788 1
1 2 . 18 1 1 A 9 9 GLY HA2 H 9 3.909 4.197 -0.288 1
1 3 . 18 1 1 A 9 9 GLY HA3 H 9 3.977 4.200 -0.223 1
1 4 . 18 1 1 A 9 9 GLY C C 9 174.027 172.991 1.036 1
1 5 . 18 1 1 A 10 10 GLU N N 10 120.322 121.709 -1.387 1
1 6 . 18 1 1 A 10 10 GLU H H 10 8.205 8.515 -0.310 1
1 7 . 18 1 1 A 10 10 GLU CA C 10 56.946 56.514 0.432 1
1 8 . 18 1 1 A 10 10 GLU HA H 10 4.186 4.395 -0.209 1
1 9 . 18 1 1 A 10 10 GLU CB C 10 30.386 30.730 -0.344 1
1 15 . 18 1 1 A 10 10 GLU C C 10 176.270 175.986 0.284 1
1 16 . 18 1 1 A 11 11 LYS N N 11 121.346 124.410 -3.064 1
1 17 . 18 1 1 A 11 11 LYS H H 11 8.235 8.269 -0.034 1
1 18 . 18 1 1 A 11 11 LYS CA C 11 53.873 52.819 1.054 1
1 19 . 18 1 1 A 11 11 LYS HA H 11 4.584 4.798 -0.214 1
1 20 . 18 1 1 A 11 11 LYS CB C 11 33.141 34.332 -1.191 1
1 32 . 18 1 1 A 11 11 LYS C C 11 174.194 175.827 -1.633 1
1 33 . 18 1 1 A 12 12 PRO CA C 12 63.602 64.732 -1.130 1
1 34 . 18 1 1 A 12 12 PRO HA H 12 4.297 4.323 -0.026 1
1 35 . 18 1 1 A 12 12 PRO CB C 12 32.253 31.938 0.315 1
1 44 . 18 1 1 A 12 12 PRO C C 12 176.307 175.847 0.460 1
1 45 . 18 1 1 A 13 13 TYR N N 13 118.127 118.814 -0.687 1
1 46 . 18 1 1 A 13 13 TYR H H 13 7.888 7.319 0.569 1
1 47 . 18 1 1 A 13 13 TYR CA C 13 57.331 57.328 0.003 1
1 48 . 18 1 1 A 13 13 TYR HA H 13 4.744 5.151 -0.407 1
1 49 . 18 1 1 A 13 13 TYR CB C 13 39.167 41.269 -2.102 1
1 60 . 18 1 1 A 13 13 TYR C C 13 175.007 175.052 -0.045 1
1 61 . 18 1 1 A 14 14 SER N N 14 117.730 115.514 2.216 1
1 62 . 18 1 1 A 14 14 SER H H 14 8.673 9.014 -0.341 1
1 63 . 18 1 1 A 14 14 SER CA C 14 57.166 57.742 -0.576 1
1 64 . 18 1 1 A 14 14 SER HA H 14 5.308 5.434 -0.126 1
1 65 . 18 1 1 A 14 14 SER CB C 14 65.510 66.333 -0.823 1
1 68 . 18 1 1 A 14 14 SER C C 14 173.013 173.048 -0.035 1
1 69 . 18 1 1 A 15 15 CYS N N 15 125.795 124.939 0.856 1
1 70 . 18 1 1 A 15 15 CYS H H 15 9.205 9.178 0.027 1
1 71 . 18 1 1 A 15 15 CYS CA C 15 59.676 59.645 0.031 1
1 72 . 18 1 1 A 15 15 CYS HA H 15 4.541 4.713 -0.172 1
1 73 . 18 1 1 A 15 15 CYS CB C 15 29.996 28.490 1.506 1
1 76 . 18 1 1 A 15 15 CYS C C 15 177.406 174.603 2.803 1
1 77 . 18 1 1 A 16 16 ASN N N 16 130.048 124.374 5.674 1
1 78 . 18 1 1 A 16 16 ASN H H 16 9.338 8.998 0.340 1
1 79 . 18 1 1 A 16 16 ASN CA C 16 55.280 54.069 1.211 1
1 80 . 18 1 1 A 16 16 ASN HA H 16 4.549 4.950 -0.401 1
1 81 . 18 1 1 A 16 16 ASN CB C 16 37.925 39.654 -1.729 1
1 87 . 18 1 1 A 16 16 ASN C C 16 174.862 177.066 -2.204 1
1 88 . 18 1 1 A 17 17 VAL N N 17 123.044 120.830 2.214 1
1 89 . 18 1 1 A 17 17 VAL H H 17 9.097 7.930 1.167 1
1 90 . 18 1 1 A 17 17 VAL CA C 17 65.187 66.743 -1.556 1
1 91 . 18 1 1 A 17 17 VAL HA H 17 3.802 3.536 0.266 1
1 92 . 18 1 1 A 17 17 VAL CB C 17 32.789 31.427 1.362 1
1 102 . 18 1 1 A 17 17 VAL C C 17 177.200 177.099 0.101 1
1 103 . 18 1 1 A 18 18 CYS N N 18 116.865 114.763 2.102 1
1 104 . 18 1 1 A 18 18 CYS H H 18 8.480 7.478 1.002 1
1 105 . 18 1 1 A 18 18 CYS CA C 18 58.318 59.254 -0.936 1
1 106 . 18 1 1 A 18 18 CYS HA H 18 5.171 4.643 0.528 1
1 107 . 18 1 1 A 18 18 CYS CB C 18 32.802 30.179 2.623 1
1 110 . 18 1 1 A 18 18 CYS C C 18 176.592 175.304 1.288 1
1 111 . 18 1 1 A 19 19 GLY N N 19 113.414 109.796 3.618 1
1 112 . 18 1 1 A 19 19 GLY H H 19 8.031 8.418 -0.387 1
1 113 . 18 1 1 A 19 19 GLY CA C 19 46.207 45.879 0.328 1
1 114 . 18 1 1 A 19 19 GLY HA2 H 19 3.888 4.041 -0.153 1
1 115 . 18 1 1 A 19 19 GLY HA3 H 19 4.255 4.057 0.198 1
1 116 . 18 1 1 A 19 19 GLY C C 19 174.005 173.649 0.356 1
1 117 . 18 1 1 A 20 20 LYS N N 20 124.005 122.239 1.766 1
1 118 . 18 1 1 A 20 20 LYS H H 20 7.996 7.523 0.473 1
1 119 . 18 1 1 A 20 20 LYS CA C 20 58.589 54.784 3.805 1
1 120 . 18 1 1 A 20 20 LYS HA H 20 3.899 4.857 -0.958 1
1 121 . 18 1 1 A 20 20 LYS CB C 20 33.573 35.350 -1.777 1
1 133 . 18 1 1 A 20 20 LYS C C 20 173.550 174.325 -0.775 1
1 134 . 18 1 1 A 21 21 ALA N N 21 124.604 123.518 1.086 1
1 135 . 18 1 1 A 21 21 ALA H H 21 7.779 8.267 -0.488 1
1 136 . 18 1 1 A 21 21 ALA CA C 21 50.576 50.667 -0.091 1
1 137 . 18 1 1 A 21 21 ALA HA H 21 5.141 5.226 -0.085 1
1 138 . 18 1 1 A 21 21 ALA CB C 21 22.100 22.665 -0.565 1
1 142 . 18 1 1 A 21 21 ALA C C 21 176.396 175.156 1.240 1
1 143 . 18 1 1 A 22 22 PHE N N 22 116.766 118.273 -1.507 1
1 144 . 18 1 1 A 22 22 PHE H H 22 8.741 9.141 -0.400 1
1 145 . 18 1 1 A 22 22 PHE CA C 22 57.289 57.004 0.285 1
1 146 . 18 1 1 A 22 22 PHE HA H 22 4.820 5.074 -0.254 1
1 147 . 18 1 1 A 22 22 PHE CB C 22 44.102 43.852 0.250 1
1 160 . 18 1 1 A 22 22 PHE C C 22 174.919 175.810 -0.891 1
1 161 . 18 1 1 A 23 23 VAL N N 23 120.073 120.083 -0.010 1
1 162 . 18 1 1 A 23 23 VAL H H 23 9.112 8.918 0.194 1
1 163 . 18 1 1 A 23 23 VAL CA C 23 65.090 64.135 0.955 1
1 164 . 18 1 1 A 23 23 VAL HA H 23 4.199 4.239 -0.040 1
1 165 . 18 1 1 A 23 23 VAL CB C 23 32.938 32.775 0.163 1
1 175 . 18 1 1 A 23 23 VAL C C 23 175.563 176.259 -0.696 1
1 176 . 18 1 1 A 24 24 LEU N N 24 115.397 119.561 -4.164 1
1 177 . 18 1 1 A 24 24 LEU H H 24 7.329 8.145 -0.816 1
1 178 . 18 1 1 A 24 24 LEU CA C 24 52.640 52.961 -0.321 1
1 179 . 18 1 1 A 24 24 LEU HA H 24 4.798 4.833 -0.035 1
1 180 . 18 1 1 A 24 24 LEU CB C 24 43.962 44.308 -0.346 1
1 193 . 18 1 1 A 24 24 LEU C C 24 177.817 176.815 1.002 1
1 194 . 18 1 1 A 25 25 SER N N 25 121.327 115.895 5.432 1
1 195 . 18 1 1 A 25 25 SER H H 25 8.467 8.680 -0.213 1
1 196 . 18 1 1 A 25 25 SER CA C 25 60.968 61.052 -0.084 1
1 197 . 18 1 1 A 25 25 SER HA H 25 3.074 2.977 0.097 1
1 198 . 18 1 1 A 25 25 SER CB C 25 61.619 62.034 -0.415 1
1 201 . 18 1 1 A 25 25 SER C C 25 177.184 176.049 1.135 1
1 202 . 18 1 1 A 26 26 ALA CA C 26 55.062 55.210 -0.148 1
1 203 . 18 1 1 A 26 26 ALA HA H 26 4.055 3.844 0.211 1
1 204 . 18 1 1 A 26 26 ALA CB C 26 18.357 18.171 0.186 1
1 208 . 18 1 1 A 26 26 ALA C C 26 180.290 179.771 0.519 1
1 209 . 18 1 1 A 27 27 HIS N N 27 115.252 116.091 -0.839 1
1 210 . 18 1 1 A 27 27 HIS H H 27 6.767 7.808 -1.041 1
1 211 . 18 1 1 A 27 27 HIS CA C 27 56.633 59.072 -2.439 1
1 212 . 18 1 1 A 27 27 HIS HA H 27 4.410 4.269 0.141 1
1 213 . 18 1 1 A 27 27 HIS CB C 27 31.638 29.796 1.842 1
1 220 . 18 1 1 A 27 27 HIS C C 27 178.478 177.380 1.098 1
1 221 . 18 1 1 A 28 28 LEU N N 28 122.106 120.773 1.333 1
1 222 . 18 1 1 A 28 28 LEU H H 28 6.996 7.310 -0.314 1
1 223 . 18 1 1 A 28 28 LEU CA C 28 57.746 57.563 0.183 1
1 224 . 18 1 1 A 28 28 LEU HA H 28 3.230 2.594 0.636 1
1 225 . 18 1 1 A 28 28 LEU CB C 28 39.918 41.333 -1.415 1
1 238 . 18 1 1 A 28 28 LEU C C 28 177.325 178.110 -0.785 1
1 239 . 18 1 1 A 29 29 ASN N N 29 116.979 115.980 0.999 1
1 240 . 18 1 1 A 29 29 ASN H H 29 8.235 8.285 -0.050 1
1 241 . 18 1 1 A 29 29 ASN CA C 29 56.666 56.366 0.300 1
1 242 . 18 1 1 A 29 29 ASN HA H 29 4.311 4.342 -0.031 1
1 243 . 18 1 1 A 29 29 ASN CB C 29 37.848 38.070 -0.222 1
1 249 . 18 1 1 A 29 29 ASN C C 29 177.975 178.029 -0.054 1
1 250 . 18 1 1 A 30 30 GLN N N 30 117.598 117.941 -0.343 1
1 251 . 18 1 1 A 30 30 GLN H H 30 7.545 8.219 -0.674 1
1 252 . 18 1 1 A 30 30 GLN CA C 30 58.522 59.188 -0.666 1
1 253 . 18 1 1 A 30 30 GLN HA H 30 4.017 3.910 0.107 1
1 254 . 18 1 1 A 30 30 GLN CB C 30 28.526 28.115 0.411 1
1 263 . 18 1 1 A 30 30 GLN C C 30 178.093 178.472 -0.379 1
1 264 . 18 1 1 A 31 31 HIS N N 31 120.149 120.096 0.053 1
1 265 . 18 1 1 A 31 31 HIS H H 31 7.634 7.468 0.166 1
1 266 . 18 1 1 A 31 31 HIS CA C 31 59.164 59.802 -0.638 1
1 267 . 18 1 1 A 31 31 HIS HA H 31 4.230 4.255 -0.025 1
1 268 . 18 1 1 A 31 31 HIS CB C 31 28.669 30.368 -1.699 1
1 275 . 18 1 1 A 31 31 HIS C C 31 176.050 177.045 -0.995 1
1 276 . 18 1 1 A 32 32 LEU N N 32 117.026 118.894 -1.868 1
1 277 . 18 1 1 A 32 32 LEU H H 32 8.303 8.277 0.026 1
1 278 . 18 1 1 A 32 32 LEU CA C 32 58.266 57.704 0.562 1
1 279 . 18 1 1 A 32 32 LEU HA H 32 3.824 3.658 0.166 1
1 280 . 18 1 1 A 32 32 LEU CB C 32 42.032 41.385 0.647 1
1 293 . 18 1 1 A 32 32 LEU C C 32 178.896 179.164 -0.268 1
1 294 . 18 1 1 A 33 33 ARG N N 33 116.212 118.884 -2.672 1
1 295 . 18 1 1 A 33 33 ARG H H 33 7.064 7.823 -0.759 1
1 296 . 18 1 1 A 33 33 ARG CA C 33 58.296 59.389 -1.093 1
1 297 . 18 1 1 A 33 33 ARG HA H 33 4.101 3.952 0.149 1
1 298 . 18 1 1 A 33 33 ARG CB C 33 29.962 29.991 -0.029 1
1 307 . 18 1 1 A 33 33 ARG C C 33 178.559 178.857 -0.298 1
1 308 . 18 1 1 A 34 34 VAL N N 34 116.383 116.620 -0.237 1
1 309 . 18 1 1 A 34 34 VAL H H 34 7.963 7.716 0.247 1
1 310 . 18 1 1 A 34 34 VAL CA C 34 64.107 65.656 -1.549 1
1 311 . 18 1 1 A 34 34 VAL HA H 34 3.911 3.845 0.066 1
1 312 . 18 1 1 A 34 34 VAL CB C 34 31.048 30.911 0.137 1
1 322 . 18 1 1 A 34 34 VAL C C 34 177.493 177.747 -0.254 1
1 323 . 18 1 1 A 35 35 HIS N N 35 116.627 119.893 -3.266 1
1 324 . 18 1 1 A 35 35 HIS H H 35 7.182 7.413 -0.231 1
1 325 . 18 1 1 A 35 35 HIS CA C 35 55.246 58.662 -3.416 1
1 326 . 18 1 1 A 35 35 HIS HA H 35 4.912 4.441 0.471 1
1 327 . 18 1 1 A 35 35 HIS CB C 35 28.593 30.986 -2.393 1
1 334 . 18 1 1 A 35 35 HIS C C 35 175.599 176.463 -0.864 1
1 335 . 18 1 1 A 36 36 THR N N 36 113.157 111.882 1.275 1
1 336 . 18 1 1 A 36 36 THR H H 36 7.751 7.732 0.019 1
1 337 . 18 1 1 A 36 36 THR CA C 36 62.698 61.044 1.654 1
1 338 . 18 1 1 A 36 36 THR HA H 36 4.345 4.304 0.041 1
1 339 . 18 1 1 A 36 36 THR CB C 36 69.800 67.163 2.637 1
1 345 . 18 1 1 A 36 36 THR C C 36 174.754 173.707 1.047 1
1 346 . 18 1 1 A 37 37 GLN N N 37 121.531 124.707 -3.176 1
1 347 . 18 1 1 A 37 37 GLN H H 37 8.263 7.704 0.559 1
1 348 . 18 1 1 A 37 37 GLN CA C 37 56.362 53.896 2.466 1
1 349 . 18 1 1 A 37 37 GLN HA H 37 4.337 4.906 -0.569 1
1 350 . 18 1 1 A 37 37 GLN CB C 37 29.282 31.274 -1.992 1
1 359 . 18 1 1 A 37 37 GLN C C 37 176.193 175.402 0.791 1
1 360 . 18 1 1 A 38 38 GLU N N 38 121.589 125.528 -3.939 1
1 361 . 18 1 1 A 38 38 GLU H H 38 8.347 8.528 -0.181 1
1 362 . 18 1 1 A 38 38 GLU CA C 38 57.138 57.520 -0.382 1
1 363 . 18 1 1 A 38 38 GLU HA H 38 4.312 4.368 -0.056 1
1 364 . 18 1 1 A 38 38 GLU CB C 38 30.433 30.626 -0.193 1
1 370 . 18 1 1 A 38 38 GLU C C 38 176.848 176.245 0.603 1
1 371 . 18 1 1 A 39 39 THR N N 39 115.160 115.691 -0.531 1
1 372 . 18 1 1 A 39 39 THR H H 39 8.173 8.691 -0.518 1
1 373 . 18 1 1 A 39 39 THR CA C 39 61.834 59.517 2.317 1
1 374 . 18 1 1 A 39 39 THR HA H 39 4.376 5.096 -0.720 1
1 375 . 18 1 1 A 39 39 THR CB C 39 69.909 72.368 -2.459 1
1 381 . 18 1 1 A 39 39 THR C C 39 174.596 173.442 1.154 1
1 382 . 18 1 1 A 40 40 LEU N N 40 124.714 120.740 3.974 1
1 383 . 18 1 1 A 40 40 LEU H H 40 8.266 8.620 -0.354 1
1 384 . 18 1 1 A 40 40 LEU CA C 40 55.357 54.166 1.191 1
1 385 . 18 1 1 A 40 40 LEU HA H 40 4.415 4.616 -0.201 1
1 386 . 18 1 1 A 40 40 LEU CB C 40 42.326 42.252 0.074 1
1 399 . 18 1 1 A 40 40 LEU C C 40 177.381 176.238 1.143 1
1 400 . 18 1 1 A 41 41 SER N N 41 116.335 117.913 -1.578 1
1 401 . 18 1 1 A 41 41 SER H H 41 8.278 8.622 -0.344 1
1 402 . 18 1 1 A 41 41 SER CA C 41 58.331 59.956 -1.625 1
1 403 . 18 1 1 A 41 41 SER HA H 41 4.514 4.191 0.323 1
1 404 . 18 1 1 A 41 41 SER CB C 41 63.988 62.793 1.195 1
1 407 . 18 1 1 A 41 41 SER C C 41 174.478 174.301 0.177 1
1 408 . 18 1 1 A 42 42 GLY N N 42 110.674 113.800 -3.126 1
1 409 . 18 1 1 A 42 42 GLY H H 42 8.181 8.422 -0.241 1
1 410 . 18 1 1 A 42 42 GLY CA C 42 44.661 45.585 -0.924 1
1 411 . 18 1 1 A 42 42 GLY HA2 H 42 4.176 4.225 -0.049 1
1 412 . 18 1 1 A 42 42 GLY HA3 H 42 4.100 4.226 -0.126 1
1 413 . 18 1 1 A 42 42 GLY C C 42 171.721 172.430 -0.709 1
1 414 . 18 1 1 A 43 43 PRO CA C 43 63.345 62.766 0.579 1
1 415 . 18 1 1 A 43 43 PRO HA H 43 4.491 4.555 -0.064 1
1 416 . 18 1 1 A 43 43 PRO CB C 43 32.228 31.939 0.289 1
1 1 . 19 1 1 A 9 9 GLY CA C 9 45.305 44.650 0.655 1
1 2 . 19 1 1 A 9 9 GLY HA2 H 9 3.909 4.162 -0.253 1
1 3 . 19 1 1 A 9 9 GLY HA3 H 9 3.977 4.165 -0.188 1
1 4 . 19 1 1 A 9 9 GLY C C 9 174.027 173.720 0.307 1
1 5 . 19 1 1 A 10 10 GLU N N 10 120.322 120.936 -0.614 1
1 6 . 19 1 1 A 10 10 GLU H H 10 8.205 8.567 -0.362 1
1 7 . 19 1 1 A 10 10 GLU CA C 10 56.946 56.687 0.259 1
1 8 . 19 1 1 A 10 10 GLU HA H 10 4.186 4.385 -0.199 1
1 9 . 19 1 1 A 10 10 GLU CB C 10 30.386 30.034 0.352 1
1 15 . 19 1 1 A 10 10 GLU C C 10 176.270 176.099 0.171 1
1 16 . 19 1 1 A 11 11 LYS N N 11 121.346 125.679 -4.333 1
1 17 . 19 1 1 A 11 11 LYS H H 11 8.235 8.622 -0.387 1
1 18 . 19 1 1 A 11 11 LYS CA C 11 53.873 54.634 -0.761 1
1 19 . 19 1 1 A 11 11 LYS HA H 11 4.584 4.350 0.234 1
1 20 . 19 1 1 A 11 11 LYS CB C 11 33.141 32.006 1.135 1
1 32 . 19 1 1 A 11 11 LYS C C 11 174.194 176.701 -2.507 1
1 33 . 19 1 1 A 12 12 PRO CA C 12 63.602 64.744 -1.142 1
1 34 . 19 1 1 A 12 12 PRO HA H 12 4.297 4.324 -0.027 1
1 35 . 19 1 1 A 12 12 PRO CB C 12 32.253 31.868 0.385 1
1 44 . 19 1 1 A 12 12 PRO C C 12 176.307 175.763 0.544 1
1 45 . 19 1 1 A 13 13 TYR N N 13 118.127 118.873 -0.746 1
1 46 . 19 1 1 A 13 13 TYR H H 13 7.888 7.327 0.561 1
1 47 . 19 1 1 A 13 13 TYR CA C 13 57.331 57.067 0.264 1
1 48 . 19 1 1 A 13 13 TYR HA H 13 4.744 5.134 -0.390 1
1 49 . 19 1 1 A 13 13 TYR CB C 13 39.167 41.277 -2.110 1
1 60 . 19 1 1 A 13 13 TYR C C 13 175.007 175.032 -0.025 1
1 61 . 19 1 1 A 14 14 SER N N 14 117.730 115.936 1.794 1
1 62 . 19 1 1 A 14 14 SER H H 14 8.673 9.061 -0.388 1
1 63 . 19 1 1 A 14 14 SER CA C 14 57.166 56.679 0.487 1
1 64 . 19 1 1 A 14 14 SER HA H 14 5.308 5.108 0.200 1
1 65 . 19 1 1 A 14 14 SER CB C 14 65.510 65.230 0.280 1
1 68 . 19 1 1 A 14 14 SER C C 14 173.013 172.284 0.729 1
1 69 . 19 1 1 A 15 15 CYS N N 15 125.795 121.773 4.022 1
1 70 . 19 1 1 A 15 15 CYS H H 15 9.205 9.260 -0.055 1
1 71 . 19 1 1 A 15 15 CYS CA C 15 59.676 57.457 2.219 1
1 72 . 19 1 1 A 15 15 CYS HA H 15 4.541 5.346 -0.805 1
1 73 . 19 1 1 A 15 15 CYS CB C 15 29.996 30.624 -0.628 1
1 76 . 19 1 1 A 15 15 CYS C C 15 177.406 174.513 2.893 1
1 77 . 19 1 1 A 16 16 ASN N N 16 130.048 125.954 4.094 1
1 78 . 19 1 1 A 16 16 ASN H H 16 9.338 8.956 0.382 1
1 79 . 19 1 1 A 16 16 ASN CA C 16 55.280 52.057 3.223 1
1 80 . 19 1 1 A 16 16 ASN HA H 16 4.549 5.107 -0.558 1
1 81 . 19 1 1 A 16 16 ASN CB C 16 37.925 39.051 -1.126 1
1 87 . 19 1 1 A 16 16 ASN C C 16 174.862 176.248 -1.386 1
1 88 . 19 1 1 A 17 17 VAL N N 17 123.044 120.428 2.616 1
1 89 . 19 1 1 A 17 17 VAL H H 17 9.097 7.603 1.494 1
1 90 . 19 1 1 A 17 17 VAL CA C 17 65.187 63.430 1.757 1
1 91 . 19 1 1 A 17 17 VAL HA H 17 3.802 4.182 -0.380 1
1 92 . 19 1 1 A 17 17 VAL CB C 17 32.789 33.692 -0.903 1
1 102 . 19 1 1 A 17 17 VAL C C 17 177.200 177.172 0.028 1
1 103 . 19 1 1 A 18 18 CYS N N 18 116.865 115.427 1.438 1
1 104 . 19 1 1 A 18 18 CYS H H 18 8.480 7.714 0.766 1
1 105 . 19 1 1 A 18 18 CYS CA C 18 58.318 59.258 -0.940 1
1 106 . 19 1 1 A 18 18 CYS HA H 18 5.171 4.742 0.429 1
1 107 . 19 1 1 A 18 18 CYS CB C 18 32.802 30.169 2.633 1
1 110 . 19 1 1 A 18 18 CYS C C 18 176.592 175.328 1.264 1
1 111 . 19 1 1 A 19 19 GLY N N 19 113.414 109.021 4.393 1
1 112 . 19 1 1 A 19 19 GLY H H 19 8.031 7.812 0.219 1
1 113 . 19 1 1 A 19 19 GLY CA C 19 46.207 45.489 0.718 1
1 114 . 19 1 1 A 19 19 GLY HA2 H 19 3.888 4.071 -0.183 1
1 115 . 19 1 1 A 19 19 GLY HA3 H 19 4.255 4.084 0.171 1
1 116 . 19 1 1 A 19 19 GLY C C 19 174.005 173.377 0.628 1
1 117 . 19 1 1 A 20 20 LYS N N 20 124.005 123.467 0.538 1
1 118 . 19 1 1 A 20 20 LYS H H 20 7.996 8.472 -0.476 1
1 119 . 19 1 1 A 20 20 LYS CA C 20 58.589 55.105 3.484 1
1 120 . 19 1 1 A 20 20 LYS HA H 20 3.899 4.918 -1.019 1
1 121 . 19 1 1 A 20 20 LYS CB C 20 33.573 36.353 -2.780 1
1 133 . 19 1 1 A 20 20 LYS C C 20 173.550 174.134 -0.584 1
1 134 . 19 1 1 A 21 21 ALA N N 21 124.604 124.004 0.600 1
1 135 . 19 1 1 A 21 21 ALA H H 21 7.779 8.336 -0.557 1
1 136 . 19 1 1 A 21 21 ALA CA C 21 50.576 49.913 0.663 1
1 137 . 19 1 1 A 21 21 ALA HA H 21 5.141 5.273 -0.132 1
1 138 . 19 1 1 A 21 21 ALA CB C 21 22.100 23.297 -1.197 1
1 142 . 19 1 1 A 21 21 ALA C C 21 176.396 174.840 1.556 1
1 143 . 19 1 1 A 22 22 PHE N N 22 116.766 116.896 -0.130 1
1 144 . 19 1 1 A 22 22 PHE H H 22 8.741 8.664 0.077 1
1 145 . 19 1 1 A 22 22 PHE CA C 22 57.289 56.640 0.649 1
1 146 . 19 1 1 A 22 22 PHE HA H 22 4.820 5.041 -0.221 1
1 147 . 19 1 1 A 22 22 PHE CB C 22 44.102 43.276 0.826 1
1 160 . 19 1 1 A 22 22 PHE C C 22 174.919 175.715 -0.796 1
1 161 . 19 1 1 A 23 23 VAL N N 23 120.073 121.187 -1.114 1
1 162 . 19 1 1 A 23 23 VAL H H 23 9.112 8.833 0.279 1
1 163 . 19 1 1 A 23 23 VAL CA C 23 65.090 65.105 -0.015 1
1 164 . 19 1 1 A 23 23 VAL HA H 23 4.199 4.150 0.049 1
1 165 . 19 1 1 A 23 23 VAL CB C 23 32.938 32.712 0.226 1
1 175 . 19 1 1 A 23 23 VAL C C 23 175.563 176.609 -1.046 1
1 176 . 19 1 1 A 24 24 LEU N N 24 115.397 119.482 -4.085 1
1 177 . 19 1 1 A 24 24 LEU H H 24 7.329 7.908 -0.579 1
1 178 . 19 1 1 A 24 24 LEU CA C 24 52.640 52.990 -0.350 1
1 179 . 19 1 1 A 24 24 LEU HA H 24 4.798 4.702 0.096 1
1 180 . 19 1 1 A 24 24 LEU CB C 24 43.962 44.173 -0.211 1
1 193 . 19 1 1 A 24 24 LEU C C 24 177.817 176.996 0.821 1
1 194 . 19 1 1 A 25 25 SER N N 25 121.327 115.843 5.484 1
1 195 . 19 1 1 A 25 25 SER H H 25 8.467 8.532 -0.065 1
1 196 . 19 1 1 A 25 25 SER CA C 25 60.968 60.962 0.006 1
1 197 . 19 1 1 A 25 25 SER HA H 25 3.074 3.207 -0.133 1
1 198 . 19 1 1 A 25 25 SER CB C 25 61.619 61.951 -0.332 1
1 201 . 19 1 1 A 25 25 SER C C 25 177.184 176.100 1.084 1
1 202 . 19 1 1 A 26 26 ALA CA C 26 55.062 55.301 -0.239 1
1 203 . 19 1 1 A 26 26 ALA HA H 26 4.055 3.900 0.155 1
1 204 . 19 1 1 A 26 26 ALA CB C 26 18.357 18.305 0.052 1
1 208 . 19 1 1 A 26 26 ALA C C 26 180.290 179.894 0.396 1
1 209 . 19 1 1 A 27 27 HIS N N 27 115.252 116.167 -0.915 1
1 210 . 19 1 1 A 27 27 HIS H H 27 6.767 8.034 -1.267 1
1 211 . 19 1 1 A 27 27 HIS CA C 27 56.633 59.223 -2.590 1
1 212 . 19 1 1 A 27 27 HIS HA H 27 4.410 4.385 0.025 1
1 213 . 19 1 1 A 27 27 HIS CB C 27 31.638 29.947 1.691 1
1 220 . 19 1 1 A 27 27 HIS C C 27 178.478 177.590 0.888 1
1 221 . 19 1 1 A 28 28 LEU N N 28 122.106 120.733 1.373 1
1 222 . 19 1 1 A 28 28 LEU H H 28 6.996 7.414 -0.418 1
1 223 . 19 1 1 A 28 28 LEU CA C 28 57.746 57.320 0.426 1
1 224 . 19 1 1 A 28 28 LEU HA H 28 3.230 1.798 1.432 1
1 225 . 19 1 1 A 28 28 LEU CB C 28 39.918 41.085 -1.167 1
1 238 . 19 1 1 A 28 28 LEU C C 28 177.325 178.059 -0.734 1
1 239 . 19 1 1 A 29 29 ASN N N 29 116.979 116.022 0.957 1
1 240 . 19 1 1 A 29 29 ASN H H 29 8.235 8.394 -0.159 1
1 241 . 19 1 1 A 29 29 ASN CA C 29 56.666 56.388 0.278 1
1 242 . 19 1 1 A 29 29 ASN HA H 29 4.311 4.316 -0.005 1
1 243 . 19 1 1 A 29 29 ASN CB C 29 37.848 37.834 0.014 1
1 249 . 19 1 1 A 29 29 ASN C C 29 177.975 178.141 -0.166 1
1 250 . 19 1 1 A 30 30 GLN N N 30 117.598 117.899 -0.301 1
1 251 . 19 1 1 A 30 30 GLN H H 30 7.545 8.343 -0.798 1
1 252 . 19 1 1 A 30 30 GLN CA C 30 58.522 59.096 -0.574 1
1 253 . 19 1 1 A 30 30 GLN HA H 30 4.017 4.005 0.012 1
1 254 . 19 1 1 A 30 30 GLN CB C 30 28.526 28.323 0.203 1
1 263 . 19 1 1 A 30 30 GLN C C 30 178.093 178.383 -0.290 1
1 264 . 19 1 1 A 31 31 HIS N N 31 120.149 121.049 -0.900 1
1 265 . 19 1 1 A 31 31 HIS H H 31 7.634 7.383 0.251 1
1 266 . 19 1 1 A 31 31 HIS CA C 31 59.164 59.694 -0.530 1
1 267 . 19 1 1 A 31 31 HIS HA H 31 4.230 4.265 -0.035 1
1 268 . 19 1 1 A 31 31 HIS CB C 31 28.669 30.209 -1.540 1
1 275 . 19 1 1 A 31 31 HIS C C 31 176.050 176.908 -0.858 1
1 276 . 19 1 1 A 32 32 LEU N N 32 117.026 119.687 -2.661 1
1 277 . 19 1 1 A 32 32 LEU H H 32 8.303 8.140 0.163 1
1 278 . 19 1 1 A 32 32 LEU CA C 32 58.266 57.918 0.348 1
1 279 . 19 1 1 A 32 32 LEU HA H 32 3.824 3.665 0.159 1
1 280 . 19 1 1 A 32 32 LEU CB C 32 42.032 41.580 0.452 1
1 293 . 19 1 1 A 32 32 LEU C C 32 178.896 178.989 -0.093 1
1 294 . 19 1 1 A 33 33 ARG N N 33 116.212 118.344 -2.132 1
1 295 . 19 1 1 A 33 33 ARG H H 33 7.064 7.825 -0.761 1
1 296 . 19 1 1 A 33 33 ARG CA C 33 58.296 59.752 -1.456 1
1 297 . 19 1 1 A 33 33 ARG HA H 33 4.101 3.852 0.249 1
1 298 . 19 1 1 A 33 33 ARG CB C 33 29.962 30.017 -0.055 1
1 307 . 19 1 1 A 33 33 ARG C C 33 178.559 178.246 0.313 1
1 308 . 19 1 1 A 34 34 VAL N N 34 116.383 117.250 -0.867 1
1 309 . 19 1 1 A 34 34 VAL H H 34 7.963 7.911 0.052 1
1 310 . 19 1 1 A 34 34 VAL CA C 34 64.107 65.376 -1.269 1
1 311 . 19 1 1 A 34 34 VAL HA H 34 3.911 3.699 0.212 1
1 312 . 19 1 1 A 34 34 VAL CB C 34 31.048 30.947 0.101 1
1 322 . 19 1 1 A 34 34 VAL C C 34 177.493 177.226 0.267 1
1 323 . 19 1 1 A 35 35 HIS N N 35 116.627 119.304 -2.677 1
1 324 . 19 1 1 A 35 35 HIS H H 35 7.182 7.531 -0.349 1
1 325 . 19 1 1 A 35 35 HIS CA C 35 55.246 54.497 0.749 1
1 326 . 19 1 1 A 35 35 HIS HA H 35 4.912 4.649 0.263 1
1 327 . 19 1 1 A 35 35 HIS CB C 35 28.593 27.179 1.414 1
1 334 . 19 1 1 A 35 35 HIS C C 35 175.599 175.295 0.304 1
1 335 . 19 1 1 A 36 36 THR N N 36 113.157 113.935 -0.778 1
1 336 . 19 1 1 A 36 36 THR H H 36 7.751 8.271 -0.520 1
1 337 . 19 1 1 A 36 36 THR CA C 36 62.698 62.917 -0.219 1
1 338 . 19 1 1 A 36 36 THR HA H 36 4.345 4.532 -0.187 1
1 339 . 19 1 1 A 36 36 THR CB C 36 69.800 71.404 -1.604 1
1 345 . 19 1 1 A 36 36 THR C C 36 174.754 174.779 -0.025 1
1 346 . 19 1 1 A 37 37 GLN N N 37 121.531 120.610 0.921 1
1 347 . 19 1 1 A 37 37 GLN H H 37 8.263 7.268 0.995 1
1 348 . 19 1 1 A 37 37 GLN CA C 37 56.362 56.083 0.279 1
1 349 . 19 1 1 A 37 37 GLN HA H 37 4.337 4.382 -0.045 1
1 350 . 19 1 1 A 37 37 GLN CB C 37 29.282 29.667 -0.385 1
1 359 . 19 1 1 A 37 37 GLN C C 37 176.193 175.568 0.625 1
1 360 . 19 1 1 A 38 38 GLU N N 38 121.589 120.771 0.818 1
1 361 . 19 1 1 A 38 38 GLU H H 38 8.347 8.646 -0.299 1
1 362 . 19 1 1 A 38 38 GLU CA C 38 57.138 55.700 1.438 1
1 363 . 19 1 1 A 38 38 GLU HA H 38 4.312 4.711 -0.399 1
1 364 . 19 1 1 A 38 38 GLU CB C 38 30.433 30.196 0.237 1
1 370 . 19 1 1 A 38 38 GLU C C 38 176.848 175.779 1.069 1
1 371 . 19 1 1 A 39 39 THR N N 39 115.160 114.137 1.023 1
1 372 . 19 1 1 A 39 39 THR H H 39 8.173 8.705 -0.532 1
1 373 . 19 1 1 A 39 39 THR CA C 39 61.834 60.487 1.347 1
1 374 . 19 1 1 A 39 39 THR HA H 39 4.376 5.070 -0.694 1
1 375 . 19 1 1 A 39 39 THR CB C 39 69.909 71.798 -1.889 1
1 381 . 19 1 1 A 39 39 THR C C 39 174.596 173.762 0.834 1
1 382 . 19 1 1 A 40 40 LEU N N 40 124.714 121.778 2.936 1
1 383 . 19 1 1 A 40 40 LEU H H 40 8.266 8.373 -0.107 1
1 384 . 19 1 1 A 40 40 LEU CA C 40 55.357 55.279 0.078 1
1 385 . 19 1 1 A 40 40 LEU HA H 40 4.415 4.210 0.205 1
1 386 . 19 1 1 A 40 40 LEU CB C 40 42.326 42.513 -0.187 1
1 399 . 19 1 1 A 40 40 LEU C C 40 177.381 176.593 0.788 1
1 400 . 19 1 1 A 41 41 SER N N 41 116.335 117.834 -1.499 1
1 401 . 19 1 1 A 41 41 SER H H 41 8.278 8.364 -0.086 1
1 402 . 19 1 1 A 41 41 SER CA C 41 58.331 59.666 -1.335 1
1 403 . 19 1 1 A 41 41 SER HA H 41 4.514 4.312 0.202 1
1 404 . 19 1 1 A 41 41 SER CB C 41 63.988 63.934 0.054 1
1 407 . 19 1 1 A 41 41 SER C C 41 174.478 174.547 -0.069 1
1 408 . 19 1 1 A 42 42 GLY N N 42 110.674 112.299 -1.625 1
1 409 . 19 1 1 A 42 42 GLY H H 42 8.181 8.316 -0.135 1
1 410 . 19 1 1 A 42 42 GLY CA C 42 44.661 44.876 -0.215 1
1 411 . 19 1 1 A 42 42 GLY HA2 H 42 4.176 4.085 0.091 1
1 412 . 19 1 1 A 42 42 GLY HA3 H 42 4.100 4.088 0.012 1
1 413 . 19 1 1 A 42 42 GLY C C 42 171.721 174.514 -2.793 1
1 414 . 19 1 1 A 43 43 PRO CA C 43 63.345 64.751 -1.406 1
1 415 . 19 1 1 A 43 43 PRO HA H 43 4.491 4.392 0.099 1
1 416 . 19 1 1 A 43 43 PRO CB C 43 32.228 32.096 0.132 1
1 1 . 20 1 1 A 9 9 GLY CA C 9 45.305 44.676 0.629 1
1 2 . 20 1 1 A 9 9 GLY HA2 H 9 3.909 4.162 -0.253 1
1 3 . 20 1 1 A 9 9 GLY HA3 H 9 3.977 4.166 -0.189 1
1 4 . 20 1 1 A 9 9 GLY C C 9 174.027 173.420 0.607 1
1 5 . 20 1 1 A 10 10 GLU N N 10 120.322 120.704 -0.382 1
1 6 . 20 1 1 A 10 10 GLU H H 10 8.205 8.462 -0.257 1
1 7 . 20 1 1 A 10 10 GLU CA C 10 56.946 55.985 0.961 1
1 8 . 20 1 1 A 10 10 GLU HA H 10 4.186 4.677 -0.491 1
1 9 . 20 1 1 A 10 10 GLU CB C 10 30.386 30.450 -0.064 1
1 15 . 20 1 1 A 10 10 GLU C C 10 176.270 175.991 0.279 1
1 16 . 20 1 1 A 11 11 LYS N N 11 121.346 123.984 -2.638 1
1 17 . 20 1 1 A 11 11 LYS H H 11 8.235 8.698 -0.463 1
1 18 . 20 1 1 A 11 11 LYS CA C 11 53.873 53.135 0.738 1
1 19 . 20 1 1 A 11 11 LYS HA H 11 4.584 5.020 -0.436 1
1 20 . 20 1 1 A 11 11 LYS CB C 11 33.141 32.840 0.301 1
1 32 . 20 1 1 A 11 11 LYS C C 11 174.194 175.665 -1.471 1
1 33 . 20 1 1 A 12 12 PRO CA C 12 63.602 64.841 -1.239 1
1 34 . 20 1 1 A 12 12 PRO HA H 12 4.297 4.436 -0.139 1
1 35 . 20 1 1 A 12 12 PRO CB C 12 32.253 31.968 0.285 1
1 44 . 20 1 1 A 12 12 PRO C C 12 176.307 175.863 0.444 1
1 45 . 20 1 1 A 13 13 TYR N N 13 118.127 119.199 -1.072 1
1 46 . 20 1 1 A 13 13 TYR H H 13 7.888 7.373 0.515 1
1 47 . 20 1 1 A 13 13 TYR CA C 13 57.331 57.476 -0.145 1
1 48 . 20 1 1 A 13 13 TYR HA H 13 4.744 4.964 -0.220 1
1 49 . 20 1 1 A 13 13 TYR CB C 13 39.167 40.694 -1.527 1
1 60 . 20 1 1 A 13 13 TYR C C 13 175.007 175.291 -0.284 1
1 61 . 20 1 1 A 14 14 SER N N 14 117.730 114.931 2.799 1
1 62 . 20 1 1 A 14 14 SER H H 14 8.673 8.929 -0.256 1
1 63 . 20 1 1 A 14 14 SER CA C 14 57.166 57.412 -0.246 1
1 64 . 20 1 1 A 14 14 SER HA H 14 5.308 5.389 -0.081 1
1 65 . 20 1 1 A 14 14 SER CB C 14 65.510 66.469 -0.959 1
1 68 . 20 1 1 A 14 14 SER C C 14 173.013 172.200 0.813 1
1 69 . 20 1 1 A 15 15 CYS N N 15 125.795 121.133 4.662 1
1 70 . 20 1 1 A 15 15 CYS H H 15 9.205 9.036 0.169 1
1 71 . 20 1 1 A 15 15 CYS CA C 15 59.676 57.386 2.290 1
1 72 . 20 1 1 A 15 15 CYS HA H 15 4.541 5.191 -0.650 1
1 73 . 20 1 1 A 15 15 CYS CB C 15 29.996 30.658 -0.662 1
1 76 . 20 1 1 A 15 15 CYS C C 15 177.406 174.675 2.731 1
1 77 . 20 1 1 A 16 16 ASN N N 16 130.048 127.054 2.994 1
1 78 . 20 1 1 A 16 16 ASN H H 16 9.338 9.041 0.297 1
1 79 . 20 1 1 A 16 16 ASN CA C 16 55.280 52.099 3.181 1
1 80 . 20 1 1 A 16 16 ASN HA H 16 4.549 4.989 -0.440 1
1 81 . 20 1 1 A 16 16 ASN CB C 16 37.925 37.938 -0.013 1
1 87 . 20 1 1 A 16 16 ASN C C 16 174.862 176.247 -1.385 1
1 88 . 20 1 1 A 17 17 VAL N N 17 123.044 120.341 2.703 1
1 89 . 20 1 1 A 17 17 VAL H H 17 9.097 8.039 1.058 1
1 90 . 20 1 1 A 17 17 VAL CA C 17 65.187 63.547 1.640 1
1 91 . 20 1 1 A 17 17 VAL HA H 17 3.802 4.172 -0.370 1
1 92 . 20 1 1 A 17 17 VAL CB C 17 32.789 33.645 -0.856 1
1 102 . 20 1 1 A 17 17 VAL C C 17 177.200 177.235 -0.035 1
1 103 . 20 1 1 A 18 18 CYS N N 18 116.865 115.588 1.277 1
1 104 . 20 1 1 A 18 18 CYS H H 18 8.480 7.570 0.910 1
1 105 . 20 1 1 A 18 18 CYS CA C 18 58.318 59.441 -1.123 1
1 106 . 20 1 1 A 18 18 CYS HA H 18 5.171 4.705 0.466 1
1 107 . 20 1 1 A 18 18 CYS CB C 18 32.802 29.907 2.895 1
1 110 . 20 1 1 A 18 18 CYS C C 18 176.592 175.277 1.315 1
1 111 . 20 1 1 A 19 19 GLY N N 19 113.414 109.507 3.907 1
1 112 . 20 1 1 A 19 19 GLY H H 19 8.031 8.211 -0.180 1
1 113 . 20 1 1 A 19 19 GLY CA C 19 46.207 45.828 0.379 1
1 114 . 20 1 1 A 19 19 GLY HA2 H 19 3.888 4.063 -0.175 1
1 115 . 20 1 1 A 19 19 GLY HA3 H 19 4.255 4.072 0.183 1
1 116 . 20 1 1 A 19 19 GLY C C 19 174.005 173.696 0.309 1
1 117 . 20 1 1 A 20 20 LYS N N 20 124.005 120.590 3.415 1
1 118 . 20 1 1 A 20 20 LYS H H 20 7.996 7.873 0.123 1
1 119 . 20 1 1 A 20 20 LYS CA C 20 58.589 54.572 4.017 1
1 120 . 20 1 1 A 20 20 LYS HA H 20 3.899 5.064 -1.165 1
1 121 . 20 1 1 A 20 20 LYS CB C 20 33.573 36.403 -2.830 1
1 133 . 20 1 1 A 20 20 LYS C C 20 173.550 174.254 -0.704 1
1 134 . 20 1 1 A 21 21 ALA N N 21 124.604 124.068 0.536 1
1 135 . 20 1 1 A 21 21 ALA H H 21 7.779 8.347 -0.568 1
1 136 . 20 1 1 A 21 21 ALA CA C 21 50.576 50.408 0.168 1
1 137 . 20 1 1 A 21 21 ALA HA H 21 5.141 5.296 -0.155 1
1 138 . 20 1 1 A 21 21 ALA CB C 21 22.100 22.829 -0.729 1
1 142 . 20 1 1 A 21 21 ALA C C 21 176.396 174.893 1.503 1
1 143 . 20 1 1 A 22 22 PHE N N 22 116.766 117.172 -0.406 1
1 144 . 20 1 1 A 22 22 PHE H H 22 8.741 8.978 -0.237 1
1 145 . 20 1 1 A 22 22 PHE CA C 22 57.289 56.717 0.572 1
1 146 . 20 1 1 A 22 22 PHE HA H 22 4.820 5.043 -0.223 1
1 147 . 20 1 1 A 22 22 PHE CB C 22 44.102 43.724 0.378 1
1 160 . 20 1 1 A 22 22 PHE C C 22 174.919 175.893 -0.974 1
1 161 . 20 1 1 A 23 23 VAL N N 23 120.073 121.775 -1.702 1
1 162 . 20 1 1 A 23 23 VAL H H 23 9.112 8.773 0.339 1
1 163 . 20 1 1 A 23 23 VAL CA C 23 65.090 65.142 -0.052 1
1 164 . 20 1 1 A 23 23 VAL HA H 23 4.199 4.199 0.000 1
1 165 . 20 1 1 A 23 23 VAL CB C 23 32.938 32.831 0.107 1
1 175 . 20 1 1 A 23 23 VAL C C 23 175.563 176.801 -1.238 1
1 176 . 20 1 1 A 24 24 LEU N N 24 115.397 119.555 -4.158 1
1 177 . 20 1 1 A 24 24 LEU H H 24 7.329 8.034 -0.705 1
1 178 . 20 1 1 A 24 24 LEU CA C 24 52.640 52.909 -0.269 1
1 179 . 20 1 1 A 24 24 LEU HA H 24 4.798 4.814 -0.016 1
1 180 . 20 1 1 A 24 24 LEU CB C 24 43.962 44.186 -0.224 1
1 193 . 20 1 1 A 24 24 LEU C C 24 177.817 176.629 1.188 1
1 194 . 20 1 1 A 25 25 SER N N 25 121.327 117.033 4.294 1
1 195 . 20 1 1 A 25 25 SER H H 25 8.467 8.369 0.098 1
1 196 . 20 1 1 A 25 25 SER CA C 25 60.968 60.689 0.279 1
1 197 . 20 1 1 A 25 25 SER HA H 25 3.074 3.134 -0.060 1
1 198 . 20 1 1 A 25 25 SER CB C 25 61.619 62.318 -0.699 1
1 201 . 20 1 1 A 25 25 SER C C 25 177.184 176.271 0.913 1
1 202 . 20 1 1 A 26 26 ALA CA C 26 55.062 55.275 -0.213 1
1 203 . 20 1 1 A 26 26 ALA HA H 26 4.055 3.858 0.197 1
1 204 . 20 1 1 A 26 26 ALA CB C 26 18.357 18.094 0.263 1
1 208 . 20 1 1 A 26 26 ALA C C 26 180.290 179.658 0.632 1
1 209 . 20 1 1 A 27 27 HIS N N 27 115.252 116.064 -0.812 1
1 210 . 20 1 1 A 27 27 HIS H H 27 6.767 7.763 -0.996 1
1 211 . 20 1 1 A 27 27 HIS CA C 27 56.633 59.301 -2.668 1
1 212 . 20 1 1 A 27 27 HIS HA H 27 4.410 4.218 0.192 1
1 213 . 20 1 1 A 27 27 HIS CB C 27 31.638 29.444 2.194 1
1 220 . 20 1 1 A 27 27 HIS C C 27 178.478 177.359 1.119 1
1 221 . 20 1 1 A 28 28 LEU N N 28 122.106 121.181 0.925 1
1 222 . 20 1 1 A 28 28 LEU H H 28 6.996 7.379 -0.383 1
1 223 . 20 1 1 A 28 28 LEU CA C 28 57.746 57.657 0.089 1
1 224 . 20 1 1 A 28 28 LEU HA H 28 3.230 2.665 0.565 1
1 225 . 20 1 1 A 28 28 LEU CB C 28 39.918 41.572 -1.654 1
1 238 . 20 1 1 A 28 28 LEU C C 28 177.325 178.436 -1.111 1
1 239 . 20 1 1 A 29 29 ASN N N 29 116.979 115.982 0.997 1
1 240 . 20 1 1 A 29 29 ASN H H 29 8.235 8.413 -0.178 1
1 241 . 20 1 1 A 29 29 ASN CA C 29 56.666 56.421 0.245 1
1 242 . 20 1 1 A 29 29 ASN HA H 29 4.311 4.356 -0.045 1
1 243 . 20 1 1 A 29 29 ASN CB C 29 37.848 37.814 0.034 1
1 249 . 20 1 1 A 29 29 ASN C C 29 177.975 178.184 -0.209 1
1 250 . 20 1 1 A 30 30 GLN N N 30 117.598 118.208 -0.610 1
1 251 . 20 1 1 A 30 30 GLN H H 30 7.545 8.113 -0.568 1
1 252 . 20 1 1 A 30 30 GLN CA C 30 58.522 59.247 -0.725 1
1 253 . 20 1 1 A 30 30 GLN HA H 30 4.017 3.979 0.038 1
1 254 . 20 1 1 A 30 30 GLN CB C 30 28.526 28.040 0.486 1
1 263 . 20 1 1 A 30 30 GLN C C 30 178.093 178.294 -0.201 1
1 264 . 20 1 1 A 31 31 HIS N N 31 120.149 120.708 -0.559 1
1 265 . 20 1 1 A 31 31 HIS H H 31 7.634 7.593 0.041 1
1 266 . 20 1 1 A 31 31 HIS CA C 31 59.164 59.669 -0.505 1
1 267 . 20 1 1 A 31 31 HIS HA H 31 4.230 4.254 -0.024 1
1 268 . 20 1 1 A 31 31 HIS CB C 31 28.669 30.125 -1.456 1
1 275 . 20 1 1 A 31 31 HIS C C 31 176.050 177.195 -1.145 1
1 276 . 20 1 1 A 32 32 LEU N N 32 117.026 119.560 -2.534 1
1 277 . 20 1 1 A 32 32 LEU H H 32 8.303 8.413 -0.110 1
1 278 . 20 1 1 A 32 32 LEU CA C 32 58.266 57.909 0.357 1
1 279 . 20 1 1 A 32 32 LEU HA H 32 3.824 3.812 0.012 1
1 280 . 20 1 1 A 32 32 LEU CB C 32 42.032 41.473 0.559 1
1 293 . 20 1 1 A 32 32 LEU C C 32 178.896 179.086 -0.190 1
1 294 . 20 1 1 A 33 33 ARG N N 33 116.212 118.628 -2.416 1
1 295 . 20 1 1 A 33 33 ARG H H 33 7.064 7.751 -0.687 1
1 296 . 20 1 1 A 33 33 ARG CA C 33 58.296 59.863 -1.567 1
1 297 . 20 1 1 A 33 33 ARG HA H 33 4.101 3.854 0.247 1
1 298 . 20 1 1 A 33 33 ARG CB C 33 29.962 29.712 0.250 1
1 307 . 20 1 1 A 33 33 ARG C C 33 178.559 178.323 0.236 1
1 308 . 20 1 1 A 34 34 VAL N N 34 116.383 117.163 -0.780 1
1 309 . 20 1 1 A 34 34 VAL H H 34 7.963 7.773 0.190 1
1 310 . 20 1 1 A 34 34 VAL CA C 34 64.107 65.321 -1.214 1
1 311 . 20 1 1 A 34 34 VAL HA H 34 3.911 3.689 0.222 1
1 312 . 20 1 1 A 34 34 VAL CB C 34 31.048 31.032 0.016 1
1 322 . 20 1 1 A 34 34 VAL C C 34 177.493 177.065 0.428 1
1 323 . 20 1 1 A 35 35 HIS N N 35 116.627 119.257 -2.630 1
1 324 . 20 1 1 A 35 35 HIS H H 35 7.182 7.730 -0.548 1
1 325 . 20 1 1 A 35 35 HIS CA C 35 55.246 54.725 0.521 1
1 326 . 20 1 1 A 35 35 HIS HA H 35 4.912 4.623 0.289 1
1 327 . 20 1 1 A 35 35 HIS CB C 35 28.593 28.065 0.528 1
1 334 . 20 1 1 A 35 35 HIS C C 35 175.599 175.604 -0.005 1
1 335 . 20 1 1 A 36 36 THR N N 36 113.157 113.855 -0.698 1
1 336 . 20 1 1 A 36 36 THR H H 36 7.751 7.795 -0.044 1
1 337 . 20 1 1 A 36 36 THR CA C 36 62.698 63.446 -0.748 1
1 338 . 20 1 1 A 36 36 THR HA H 36 4.345 4.347 -0.002 1
1 339 . 20 1 1 A 36 36 THR CB C 36 69.800 70.246 -0.446 1
1 345 . 20 1 1 A 36 36 THR C C 36 174.754 174.096 0.658 1
1 346 . 20 1 1 A 37 37 GLN N N 37 121.531 119.538 1.993 1
1 347 . 20 1 1 A 37 37 GLN H H 37 8.263 7.978 0.285 1
1 348 . 20 1 1 A 37 37 GLN CA C 37 56.362 54.379 1.983 1
1 349 . 20 1 1 A 37 37 GLN HA H 37 4.337 4.648 -0.311 1
1 350 . 20 1 1 A 37 37 GLN CB C 37 29.282 30.471 -1.189 1
1 359 . 20 1 1 A 37 37 GLN C C 37 176.193 175.670 0.523 1
1 360 . 20 1 1 A 38 38 GLU N N 38 121.589 121.748 -0.159 1
1 361 . 20 1 1 A 38 38 GLU H H 38 8.347 8.528 -0.181 1
1 362 . 20 1 1 A 38 38 GLU CA C 38 57.138 56.714 0.424 1
1 363 . 20 1 1 A 38 38 GLU HA H 38 4.312 4.192 0.120 1
1 364 . 20 1 1 A 38 38 GLU CB C 38 30.433 29.971 0.462 1
1 370 . 20 1 1 A 38 38 GLU C C 38 176.848 176.543 0.305 1
1 371 . 20 1 1 A 39 39 THR N N 39 115.160 111.959 3.201 1
1 372 . 20 1 1 A 39 39 THR H H 39 8.173 8.430 -0.257 1
1 373 . 20 1 1 A 39 39 THR CA C 39 61.834 60.198 1.636 1
1 374 . 20 1 1 A 39 39 THR HA H 39 4.376 4.852 -0.476 1
1 375 . 20 1 1 A 39 39 THR CB C 39 69.909 72.053 -2.144 1
1 381 . 20 1 1 A 39 39 THR C C 39 174.596 173.869 0.727 1
1 382 . 20 1 1 A 40 40 LEU N N 40 124.714 122.688 2.026 1
1 383 . 20 1 1 A 40 40 LEU H H 40 8.266 9.034 -0.768 1
1 384 . 20 1 1 A 40 40 LEU CA C 40 55.357 55.763 -0.406 1
1 385 . 20 1 1 A 40 40 LEU HA H 40 4.415 3.978 0.437 1
1 386 . 20 1 1 A 40 40 LEU CB C 40 42.326 41.152 1.174 1
1 399 . 20 1 1 A 40 40 LEU C C 40 177.381 176.445 0.936 1
1 400 . 20 1 1 A 41 41 SER N N 41 116.335 115.329 1.006 1
1 401 . 20 1 1 A 41 41 SER H H 41 8.278 7.772 0.506 1
1 402 . 20 1 1 A 41 41 SER CA C 41 58.331 60.195 -1.864 1
1 403 . 20 1 1 A 41 41 SER HA H 41 4.514 4.366 0.148 1
1 404 . 20 1 1 A 41 41 SER CB C 41 63.988 64.167 -0.179 1
1 407 . 20 1 1 A 41 41 SER C C 41 174.478 175.996 -1.518 1
1 408 . 20 1 1 A 42 42 GLY N N 42 110.674 112.471 -1.797 1
1 409 . 20 1 1 A 42 42 GLY H H 42 8.181 8.684 -0.503 1
1 410 . 20 1 1 A 42 42 GLY CA C 42 44.661 48.014 -3.353 1
1 411 . 20 1 1 A 42 42 GLY HA2 H 42 4.176 3.838 0.338 1
1 412 . 20 1 1 A 42 42 GLY HA3 H 42 4.100 3.839 0.261 1
1 413 . 20 1 1 A 42 42 GLY C C 42 171.721 174.750 -3.029 1
1 414 . 20 1 1 A 43 43 PRO CA C 43 63.345 62.815 0.530 1
1 415 . 20 1 1 A 43 43 PRO HA H 43 4.491 4.479 0.012 1
1 416 . 20 1 1 A 43 43 PRO CB C 43 32.228 31.708 0.520 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 34 1.044 1
2 1 1 1 "RMS(OBS, PRED)" CA 35 1.406 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.419 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.512 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.335 1
6 1 1 1 "RMS(OBS, PRED)" N 31 3.030 1
7 1 2 1 "RMS(OBS, PRED)" C 34 1.016 1
8 1 2 1 "RMS(OBS, PRED)" CA 35 1.428 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.451 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.594 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.382 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.896 1
13 1 3 1 "RMS(OBS, PRED)" C 34 1.060 1
14 1 3 1 "RMS(OBS, PRED)" CA 35 1.281 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.102 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.542 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.371 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.869 1
19 1 4 1 "RMS(OBS, PRED)" C 34 1.041 1
20 1 4 1 "RMS(OBS, PRED)" CA 35 1.278 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.310 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.526 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.330 1
24 1 4 1 "RMS(OBS, PRED)" N 31 3.011 1
25 1 5 1 "RMS(OBS, PRED)" C 34 1.040 1
26 1 5 1 "RMS(OBS, PRED)" CA 35 1.193 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.271 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.598 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.315 1
30 1 5 1 "RMS(OBS, PRED)" N 31 3.124 1
31 1 6 1 "RMS(OBS, PRED)" C 34 1.159 1
32 1 6 1 "RMS(OBS, PRED)" CA 35 1.424 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.565 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.615 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.426 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.963 1
37 1 7 1 "RMS(OBS, PRED)" C 34 1.192 1
38 1 7 1 "RMS(OBS, PRED)" CA 35 1.302 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.444 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.642 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.364 1
42 1 7 1 "RMS(OBS, PRED)" N 31 3.023 1
43 1 8 1 "RMS(OBS, PRED)" C 34 1.176 1
44 1 8 1 "RMS(OBS, PRED)" CA 35 1.318 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.170 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.512 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.349 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.967 1
49 1 9 1 "RMS(OBS, PRED)" C 34 1.124 1
50 1 9 1 "RMS(OBS, PRED)" CA 35 1.459 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.467 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.640 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.294 1
54 1 9 1 "RMS(OBS, PRED)" N 31 3.138 1
55 1 10 1 "RMS(OBS, PRED)" C 34 1.067 1
56 1 10 1 "RMS(OBS, PRED)" CA 35 1.516 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.533 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.554 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.387 1
60 1 10 1 "RMS(OBS, PRED)" N 31 3.173 1
61 1 11 1 "RMS(OBS, PRED)" C 34 1.229 1
62 1 11 1 "RMS(OBS, PRED)" CA 35 1.474 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.517 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.553 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.390 1
66 1 11 1 "RMS(OBS, PRED)" N 31 3.207 1
67 1 12 1 "RMS(OBS, PRED)" C 34 0.974 1
68 1 12 1 "RMS(OBS, PRED)" CA 35 1.318 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.424 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.523 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.353 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.886 1
73 1 13 1 "RMS(OBS, PRED)" C 34 1.125 1
74 1 13 1 "RMS(OBS, PRED)" CA 35 1.340 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.262 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.568 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.315 1
78 1 13 1 "RMS(OBS, PRED)" N 31 3.401 1
79 1 14 1 "RMS(OBS, PRED)" C 34 1.109 1
80 1 14 1 "RMS(OBS, PRED)" CA 35 1.549 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.183 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.590 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.361 1
84 1 14 1 "RMS(OBS, PRED)" N 31 3.063 1
85 1 15 1 "RMS(OBS, PRED)" C 34 1.019 1
86 1 15 1 "RMS(OBS, PRED)" CA 35 1.280 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.001 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.611 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.303 1
90 1 15 1 "RMS(OBS, PRED)" N 31 3.195 1
91 1 16 1 "RMS(OBS, PRED)" C 34 1.074 1
92 1 16 1 "RMS(OBS, PRED)" CA 35 1.275 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.135 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.604 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.348 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.999 1
97 1 17 1 "RMS(OBS, PRED)" C 34 1.173 1
98 1 17 1 "RMS(OBS, PRED)" CA 35 1.500 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.274 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.565 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.355 1
102 1 17 1 "RMS(OBS, PRED)" N 31 3.606 1
103 1 18 1 "RMS(OBS, PRED)" C 34 1.011 1
104 1 18 1 "RMS(OBS, PRED)" CA 35 1.394 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.366 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.510 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.320 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.620 1
109 1 19 1 "RMS(OBS, PRED)" C 34 1.089 1
110 1 19 1 "RMS(OBS, PRED)" CA 35 1.277 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.147 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.567 1
113 1 19 1 "RMS(OBS, PRED)" HA 38 0.400 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.405 1
115 1 20 1 "RMS(OBS, PRED)" C 34 1.107 1
116 1 20 1 "RMS(OBS, PRED)" CA 35 1.480 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.149 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.494 1
119 1 20 1 "RMS(OBS, PRED)" HA 38 0.345 1
120 1 20 1 "RMS(OBS, PRED)" N 31 2.365 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 9 9 GLY CA C 9 45.305 45.349 -0.044 2
1 2 . 1 1 A 9 9 GLY HA2 H 9 3.909 4.096 -0.187 2
1 3 . 1 1 A 9 9 GLY HA3 H 9 3.977 4.098 -0.121 2
1 4 . 1 1 A 9 9 GLY C C 9 174.027 173.184 0.843 2
1 5 . 1 1 A 10 10 GLU N N 10 120.322 120.369 -0.047 2
1 6 . 1 1 A 10 10 GLU H H 10 8.205 8.446 -0.241 2
1 7 . 1 1 A 10 10 GLU CA C 10 56.946 55.758 1.188 2
1 8 . 1 1 A 10 10 GLU HA H 10 4.186 4.642 -0.456 2
1 9 . 1 1 A 10 10 GLU CB C 10 30.386 31.238 -0.852 2
1 15 . 1 1 A 10 10 GLU C C 10 176.270 175.653 0.617 2
1 16 . 1 1 A 11 11 LYS N N 11 121.346 123.845 -2.499 2
1 17 . 1 1 A 11 11 LYS H H 11 8.235 8.522 -0.287 2
1 18 . 1 1 A 11 11 LYS CA C 11 53.873 54.086 -0.213 2
1 19 . 1 1 A 11 11 LYS HA H 11 4.584 4.563 0.021 2
1 20 . 1 1 A 11 11 LYS CB C 11 33.141 32.646 0.495 2
1 32 . 1 1 A 11 11 LYS C C 11 174.194 176.432 -2.238 2
1 33 . 1 1 A 12 12 PRO CA C 12 63.602 64.726 -1.124 2
1 34 . 1 1 A 12 12 PRO HA H 12 4.297 4.335 -0.038 2
1 35 . 1 1 A 12 12 PRO CB C 12 32.253 31.889 0.364 2
1 44 . 1 1 A 12 12 PRO C C 12 176.307 175.767 0.540 2
1 45 . 1 1 A 13 13 TYR N N 13 118.127 119.060 -0.933 2
1 46 . 1 1 A 13 13 TYR H H 13 7.888 7.382 0.506 2
1 47 . 1 1 A 13 13 TYR CA C 13 57.331 57.204 0.127 2
1 48 . 1 1 A 13 13 TYR HA H 13 4.744 5.168 -0.424 2
1 49 . 1 1 A 13 13 TYR CB C 13 39.167 41.179 -2.012 2
1 60 . 1 1 A 13 13 TYR C C 13 175.007 175.170 -0.163 2
1 61 . 1 1 A 14 14 SER N N 14 117.730 115.192 2.538 2
1 62 . 1 1 A 14 14 SER H H 14 8.673 9.012 -0.339 2
1 63 . 1 1 A 14 14 SER CA C 14 57.166 57.502 -0.336 2
1 64 . 1 1 A 14 14 SER HA H 14 5.308 5.250 0.059 2
1 65 . 1 1 A 14 14 SER CB C 14 65.510 66.498 -0.988 2
1 68 . 1 1 A 14 14 SER C C 14 173.013 172.486 0.527 2
1 69 . 1 1 A 15 15 CYS N N 15 125.795 123.218 2.577 2
1 70 . 1 1 A 15 15 CYS H H 15 9.205 9.128 0.077 2
1 71 . 1 1 A 15 15 CYS CA C 15 59.676 58.244 1.432 2
1 72 . 1 1 A 15 15 CYS HA H 15 4.541 4.926 -0.385 2
1 73 . 1 1 A 15 15 CYS CB C 15 29.996 29.327 0.669 2
1 76 . 1 1 A 15 15 CYS C C 15 177.406 175.841 1.565 2
1 77 . 1 1 A 16 16 ASN N N 16 130.048 123.292 6.756 2
1 78 . 1 1 A 16 16 ASN H H 16 9.338 8.835 0.503 2
1 79 . 1 1 A 16 16 ASN CA C 16 55.280 53.152 2.128 2
1 80 . 1 1 A 16 16 ASN HA H 16 4.549 4.873 -0.324 2
1 81 . 1 1 A 16 16 ASN CB C 16 37.925 38.609 -0.684 2
1 87 . 1 1 A 16 16 ASN C C 16 174.862 175.638 -0.776 2
1 88 . 1 1 A 17 17 VAL N N 17 123.044 118.858 4.186 2
1 89 . 1 1 A 17 17 VAL H H 17 9.097 7.796 1.301 2
1 90 . 1 1 A 17 17 VAL CA C 17 65.187 64.697 0.490 2
1 91 . 1 1 A 17 17 VAL HA H 17 3.802 3.934 -0.132 2
1 92 . 1 1 A 17 17 VAL CB C 17 32.789 32.766 0.023 2
1 102 . 1 1 A 17 17 VAL C C 17 177.200 177.266 -0.066 2
1 103 . 1 1 A 18 18 CYS N N 18 116.865 115.189 1.675 2
1 104 . 1 1 A 18 18 CYS H H 18 8.480 7.557 0.923 2
1 105 . 1 1 A 18 18 CYS CA C 18 58.318 59.424 -1.106 2
1 106 . 1 1 A 18 18 CYS HA H 18 5.171 4.647 0.523 2
1 107 . 1 1 A 18 18 CYS CB C 18 32.802 29.999 2.803 2
1 110 . 1 1 A 18 18 CYS C C 18 176.592 175.279 1.313 2
1 111 . 1 1 A 19 19 GLY N N 19 113.414 109.520 3.894 2
1 112 . 1 1 A 19 19 GLY H H 19 8.031 8.226 -0.195 2
1 113 . 1 1 A 19 19 GLY CA C 19 46.207 45.911 0.296 2
1 114 . 1 1 A 19 19 GLY HA2 H 19 3.888 4.042 -0.154 2
1 115 . 1 1 A 19 19 GLY HA3 H 19 4.255 4.054 0.201 2
1 116 . 1 1 A 19 19 GLY C C 19 174.005 173.669 0.336 2
1 117 . 1 1 A 20 20 LYS N N 20 124.005 120.992 3.013 2
1 118 . 1 1 A 20 20 LYS H H 20 7.996 7.873 0.123 2
1 119 . 1 1 A 20 20 LYS CA C 20 58.589 54.650 3.939 2
1 120 . 1 1 A 20 20 LYS HA H 20 3.899 4.915 -1.016 2
1 121 . 1 1 A 20 20 LYS CB C 20 33.573 35.845 -2.272 2
1 133 . 1 1 A 20 20 LYS C C 20 173.550 174.268 -0.718 2
1 134 . 1 1 A 21 21 ALA N N 21 124.604 123.740 0.864 2
1 135 . 1 1 A 21 21 ALA H H 21 7.779 8.244 -0.465 2
1 136 . 1 1 A 21 21 ALA CA C 21 50.576 50.578 -0.002 2
1 137 . 1 1 A 21 21 ALA HA H 21 5.141 5.217 -0.076 2
1 138 . 1 1 A 21 21 ALA CB C 21 22.100 23.117 -1.017 2
1 142 . 1 1 A 21 21 ALA C C 21 176.396 174.898 1.499 2
1 143 . 1 1 A 22 22 PHE N N 22 116.766 117.514 -0.748 2
1 144 . 1 1 A 22 22 PHE H H 22 8.741 8.960 -0.219 2
1 145 . 1 1 A 22 22 PHE CA C 22 57.289 56.710 0.579 2
1 146 . 1 1 A 22 22 PHE HA H 22 4.820 5.014 -0.195 2
1 147 . 1 1 A 22 22 PHE CB C 22 44.102 43.569 0.533 2
1 160 . 1 1 A 22 22 PHE C C 22 174.919 175.798 -0.879 2
1 161 . 1 1 A 23 23 VAL N N 23 120.073 121.158 -1.085 2
1 162 . 1 1 A 23 23 VAL H H 23 9.112 8.864 0.248 2
1 163 . 1 1 A 23 23 VAL CA C 23 65.090 64.830 0.260 2
1 164 . 1 1 A 23 23 VAL HA H 23 4.199 4.230 -0.031 2
1 165 . 1 1 A 23 23 VAL CB C 23 32.938 32.733 0.205 2
1 175 . 1 1 A 23 23 VAL C C 23 175.563 176.509 -0.946 2
1 176 . 1 1 A 24 24 LEU N N 24 115.397 119.646 -4.249 2
1 177 . 1 1 A 24 24 LEU H H 24 7.329 8.105 -0.776 2
1 178 . 1 1 A 24 24 LEU CA C 24 52.640 52.993 -0.353 2
1 179 . 1 1 A 24 24 LEU HA H 24 4.798 4.790 0.008 2
1 180 . 1 1 A 24 24 LEU CB C 24 43.962 44.152 -0.190 2
1 193 . 1 1 A 24 24 LEU C C 24 177.817 176.694 1.123 2
1 194 . 1 1 A 25 25 SER N N 25 121.327 116.400 4.927 2
1 195 . 1 1 A 25 25 SER H H 25 8.467 8.532 -0.065 2
1 196 . 1 1 A 25 25 SER CA C 25 60.968 60.888 0.080 2
1 197 . 1 1 A 25 25 SER HA H 25 3.074 3.062 0.012 2
1 198 . 1 1 A 25 25 SER CB C 25 61.619 62.301 -0.682 2
1 201 . 1 1 A 25 25 SER C C 25 177.184 176.187 0.997 2
1 202 . 1 1 A 26 26 ALA CA C 26 55.062 55.214 -0.152 2
1 203 . 1 1 A 26 26 ALA HA H 26 4.055 3.867 0.188 2
1 204 . 1 1 A 26 26 ALA CB C 26 18.357 18.357 -0.000 2
1 208 . 1 1 A 26 26 ALA C C 26 180.290 179.806 0.484 2
1 209 . 1 1 A 27 27 HIS N N 27 115.252 116.118 -0.865 2
1 210 . 1 1 A 27 27 HIS H H 27 6.767 7.847 -1.080 2
1 211 . 1 1 A 27 27 HIS CA C 27 56.633 59.194 -2.561 2
1 212 . 1 1 A 27 27 HIS HA H 27 4.410 4.288 0.122 2
1 213 . 1 1 A 27 27 HIS CB C 27 31.638 29.872 1.766 2
1 220 . 1 1 A 27 27 HIS C C 27 178.478 177.407 1.070 2
1 221 . 1 1 A 28 28 LEU N N 28 122.106 120.584 1.522 2
1 222 . 1 1 A 28 28 LEU H H 28 6.996 7.632 -0.636 2
1 223 . 1 1 A 28 28 LEU CA C 28 57.746 57.468 0.278 2
1 224 . 1 1 A 28 28 LEU HA H 28 3.230 2.281 0.949 2
1 225 . 1 1 A 28 28 LEU CB C 28 39.918 41.261 -1.343 2
1 238 . 1 1 A 28 28 LEU C C 28 177.325 178.152 -0.827 2
1 239 . 1 1 A 29 29 ASN N N 29 116.979 116.350 0.629 2
1 240 . 1 1 A 29 29 ASN H H 29 8.235 8.319 -0.084 2
1 241 . 1 1 A 29 29 ASN CA C 29 56.666 56.453 0.213 2
1 242 . 1 1 A 29 29 ASN HA H 29 4.311 4.322 -0.011 2
1 243 . 1 1 A 29 29 ASN CB C 29 37.848 38.273 -0.425 2
1 249 . 1 1 A 29 29 ASN C C 29 177.975 177.925 0.050 2
1 250 . 1 1 A 30 30 GLN N N 30 117.598 117.901 -0.303 2
1 251 . 1 1 A 30 30 GLN H H 30 7.545 8.236 -0.691 2
1 252 . 1 1 A 30 30 GLN CA C 30 58.522 59.018 -0.496 2
1 253 . 1 1 A 30 30 GLN HA H 30 4.017 3.957 0.060 2
1 254 . 1 1 A 30 30 GLN CB C 30 28.526 28.262 0.264 2
1 263 . 1 1 A 30 30 GLN C C 30 178.093 178.466 -0.373 2
1 264 . 1 1 A 31 31 HIS N N 31 120.149 120.625 -0.476 2
1 265 . 1 1 A 31 31 HIS H H 31 7.634 7.504 0.130 2
1 266 . 1 1 A 31 31 HIS CA C 31 59.164 59.666 -0.502 2
1 267 . 1 1 A 31 31 HIS HA H 31 4.230 4.258 -0.028 2
1 268 . 1 1 A 31 31 HIS CB C 31 28.669 30.102 -1.433 2
1 275 . 1 1 A 31 31 HIS C C 31 176.050 176.916 -0.866 2
1 276 . 1 1 A 32 32 LEU N N 32 117.026 119.220 -2.194 2
1 277 . 1 1 A 32 32 LEU H H 32 8.303 8.285 0.018 2
1 278 . 1 1 A 32 32 LEU CA C 32 58.266 57.834 0.431 2
1 279 . 1 1 A 32 32 LEU HA H 32 3.824 3.756 0.068 2
1 280 . 1 1 A 32 32 LEU CB C 32 42.032 41.505 0.527 2
1 293 . 1 1 A 32 32 LEU C C 32 178.896 179.061 -0.165 2
1 294 . 1 1 A 33 33 ARG N N 33 116.212 118.816 -2.604 2
1 295 . 1 1 A 33 33 ARG H H 33 7.064 8.003 -0.939 2
1 296 . 1 1 A 33 33 ARG CA C 33 58.296 59.654 -1.358 2
1 297 . 1 1 A 33 33 ARG HA H 33 4.101 3.906 0.195 2
1 298 . 1 1 A 33 33 ARG CB C 33 29.962 29.851 0.111 2
1 307 . 1 1 A 33 33 ARG C C 33 178.559 178.614 -0.055 2
1 308 . 1 1 A 34 34 VAL N N 34 116.383 116.802 -0.419 2
1 309 . 1 1 A 34 34 VAL H H 34 7.963 7.755 0.208 2
1 310 . 1 1 A 34 34 VAL CA C 34 64.107 65.049 -0.942 2
1 311 . 1 1 A 34 34 VAL HA H 34 3.911 3.750 0.161 2
1 312 . 1 1 A 34 34 VAL CB C 34 31.048 31.078 -0.030 2
1 322 . 1 1 A 34 34 VAL C C 34 177.493 177.061 0.432 2
1 323 . 1 1 A 35 35 HIS N N 35 116.627 119.616 -2.989 2
1 324 . 1 1 A 35 35 HIS H H 35 7.182 7.658 -0.476 2
1 325 . 1 1 A 35 35 HIS CA C 35 55.246 56.394 -1.148 2
1 326 . 1 1 A 35 35 HIS HA H 35 4.912 4.590 0.321 2
1 327 . 1 1 A 35 35 HIS CB C 35 28.593 29.474 -0.881 2
1 334 . 1 1 A 35 35 HIS C C 35 175.599 176.063 -0.464 2
1 335 . 1 1 A 36 36 THR N N 36 113.157 113.569 -0.412 2
1 336 . 1 1 A 36 36 THR H H 36 7.751 7.950 -0.199 2
1 337 . 1 1 A 36 36 THR CA C 36 62.698 62.663 0.035 2
1 338 . 1 1 A 36 36 THR HA H 36 4.345 4.273 0.072 2
1 339 . 1 1 A 36 36 THR CB C 36 69.800 69.055 0.745 2
1 345 . 1 1 A 36 36 THR C C 36 174.754 174.472 0.282 2
1 346 . 1 1 A 37 37 GLN N N 37 121.531 121.122 0.409 2
1 347 . 1 1 A 37 37 GLN H H 37 8.263 7.838 0.425 2
1 348 . 1 1 A 37 37 GLN CA C 37 56.362 55.264 1.098 2
1 349 . 1 1 A 37 37 GLN HA H 37 4.337 4.539 -0.202 2
1 350 . 1 1 A 37 37 GLN CB C 37 29.282 30.361 -1.079 2
1 359 . 1 1 A 37 37 GLN C C 37 176.193 175.140 1.053 2
1 360 . 1 1 A 38 38 GLU N N 38 121.589 122.517 -0.928 2
1 361 . 1 1 A 38 38 GLU H H 38 8.347 8.441 -0.094 2
1 362 . 1 1 A 38 38 GLU CA C 38 57.138 56.431 0.707 2
1 363 . 1 1 A 38 38 GLU HA H 38 4.312 4.515 -0.203 2
1 364 . 1 1 A 38 38 GLU CB C 38 30.433 30.686 -0.253 2
1 370 . 1 1 A 38 38 GLU C C 38 176.848 176.080 0.768 2
1 371 . 1 1 A 39 39 THR N N 39 115.160 116.879 -1.719 2
1 372 . 1 1 A 39 39 THR H H 39 8.173 8.629 -0.456 2
1 373 . 1 1 A 39 39 THR CA C 39 61.834 61.446 0.388 2
1 374 . 1 1 A 39 39 THR HA H 39 4.376 4.687 -0.311 2
1 375 . 1 1 A 39 39 THR CB C 39 69.909 70.632 -0.723 2
1 381 . 1 1 A 39 39 THR C C 39 174.596 173.634 0.962 2
1 382 . 1 1 A 40 40 LEU N N 40 124.714 124.253 0.461 2
1 383 . 1 1 A 40 40 LEU H H 40 8.266 8.545 -0.279 2
1 384 . 1 1 A 40 40 LEU CA C 40 55.357 54.699 0.658 2
1 385 . 1 1 A 40 40 LEU HA H 40 4.415 4.445 -0.030 2
1 386 . 1 1 A 40 40 LEU CB C 40 42.326 42.496 -0.170 2
1 399 . 1 1 A 40 40 LEU C C 40 177.381 176.076 1.305 2
1 400 . 1 1 A 41 41 SER N N 41 116.335 117.593 -1.258 2
1 401 . 1 1 A 41 41 SER H H 41 8.278 8.445 -0.167 2
1 402 . 1 1 A 41 41 SER CA C 41 58.331 58.058 0.273 2
1 403 . 1 1 A 41 41 SER HA H 41 4.514 4.667 -0.153 2
1 404 . 1 1 A 41 41 SER CB C 41 63.988 64.310 -0.322 2
1 407 . 1 1 A 41 41 SER C C 41 174.478 174.207 0.271 2
1 408 . 1 1 A 42 42 GLY N N 42 110.674 111.623 -0.949 2
1 409 . 1 1 A 42 42 GLY H H 42 8.181 8.365 -0.184 2
1 410 . 1 1 A 42 42 GLY CA C 42 44.661 45.429 -0.768 2
1 411 . 1 1 A 42 42 GLY HA2 H 42 4.176 4.104 0.072 2
1 412 . 1 1 A 42 42 GLY HA3 H 42 4.100 4.105 -0.005 2
1 413 . 1 1 A 42 42 GLY C C 42 171.721 173.431 -1.710 2
1 414 . 1 1 A 43 43 PRO CA C 43 63.345 63.182 0.163 2
1 415 . 1 1 A 43 43 PRO HA H 43 4.491 4.574 -0.083 2
1 416 . 1 1 A 43 43 PRO CB C 43 32.228 31.658 0.570 2
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