data_10230_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10230
_Entry.PDB_ID 2EN1
_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 H H 9 8.233 8.324 -0.091 1
1 2 . 1 1 1 A 9 9 GLY HA2 H 9 4.025 4.177 -0.152 1
1 3 . 1 1 1 A 9 9 GLY HA3 H 9 3.948 4.178 -0.230 1
1 4 . 1 1 1 A 9 9 GLY C C 9 174.022 173.037 0.985 1
1 5 . 1 1 1 A 9 9 GLY CA C 9 45.367 44.679 0.688 1
1 6 . 1 1 1 A 9 9 GLY N N 9 110.543 112.883 -2.340 1
1 7 . 1 1 1 A 10 10 GLU H H 10 8.175 8.625 -0.450 1
1 8 . 1 1 1 A 10 10 GLU HA H 10 4.187 5.034 -0.847 1
1 13 . 1 1 1 A 10 10 GLU C C 10 176.220 175.557 0.663 1
1 14 . 1 1 1 A 10 10 GLU CA C 10 56.730 54.834 1.896 1
1 15 . 1 1 1 A 10 10 GLU CB C 10 30.395 32.624 -2.229 1
1 17 . 1 1 1 A 10 10 GLU N N 10 120.194 121.089 -0.895 1
1 18 . 1 1 1 A 11 11 LYS H H 11 8.391 8.555 -0.164 1
1 19 . 1 1 1 A 11 11 LYS HA H 11 4.528 4.870 -0.342 1
1 28 . 1 1 1 A 11 11 LYS C C 11 174.468 175.703 -1.235 1
1 29 . 1 1 1 A 11 11 LYS CA C 11 54.112 52.216 1.896 1
1 30 . 1 1 1 A 11 11 LYS CB C 11 33.635 34.349 -0.714 1
1 34 . 1 1 1 A 11 11 LYS N N 11 121.933 122.805 -0.872 1
1 35 . 1 1 1 A 12 12 PRO HA H 12 4.229 4.408 -0.179 1
1 42 . 1 1 1 A 12 12 PRO C C 12 176.420 175.895 0.525 1
1 43 . 1 1 1 A 12 12 PRO CA C 12 63.948 64.208 -0.260 1
1 44 . 1 1 1 A 12 12 PRO CB C 12 32.366 31.446 0.920 1
1 47 . 1 1 1 A 13 13 PHE H H 13 7.694 7.222 0.472 1
1 48 . 1 1 1 A 13 13 PHE HA H 13 4.700 5.245 -0.545 1
1 56 . 1 1 1 A 13 13 PHE C C 13 174.071 174.166 -0.095 1
1 57 . 1 1 1 A 13 13 PHE CA C 13 57.784 56.565 1.219 1
1 58 . 1 1 1 A 13 13 PHE CB C 13 39.605 41.884 -2.279 1
1 64 . 1 1 1 A 13 13 PHE N N 13 117.427 118.306 -0.879 1
1 65 . 1 1 1 A 14 14 LYS H H 14 8.784 8.938 -0.154 1
1 66 . 1 1 1 A 14 14 LYS HA H 14 4.976 5.413 -0.437 1
1 75 . 1 1 1 A 14 14 LYS C C 14 174.467 174.937 -0.470 1
1 76 . 1 1 1 A 14 14 LYS CA C 14 54.862 54.974 -0.112 1
1 77 . 1 1 1 A 14 14 LYS CB C 14 36.253 36.561 -0.308 1
1 81 . 1 1 1 A 14 14 LYS N N 14 125.268 123.037 2.231 1
1 82 . 1 1 1 A 15 15 CYS H H 15 9.301 9.125 0.176 1
1 83 . 1 1 1 A 15 15 CYS HA H 15 4.615 4.650 -0.035 1
1 86 . 1 1 1 A 15 15 CYS C C 15 177.056 175.810 1.246 1
1 87 . 1 1 1 A 15 15 CYS CA C 15 59.312 59.102 0.210 1
1 88 . 1 1 1 A 15 15 CYS CB C 15 29.488 27.678 1.810 1
1 89 . 1 1 1 A 15 15 CYS N N 15 128.099 125.398 2.701 1
1 90 . 1 1 1 A 16 16 GLU H H 16 9.566 8.825 0.741 1
1 91 . 1 1 1 A 16 16 GLU HA H 16 4.132 4.115 0.017 1
1 96 . 1 1 1 A 16 16 GLU C C 16 177.004 178.512 -1.508 1
1 97 . 1 1 1 A 16 16 GLU CA C 16 58.483 59.172 -0.689 1
1 98 . 1 1 1 A 16 16 GLU CB C 16 29.405 29.298 0.107 1
1 100 . 1 1 1 A 16 16 GLU N N 16 132.079 127.495 4.584 1
1 101 . 1 1 1 A 17 17 GLU H H 17 8.515 8.334 0.181 1
1 102 . 1 1 1 A 17 17 GLU HA H 17 4.166 3.917 0.249 1
1 107 . 1 1 1 A 17 17 GLU C C 17 177.263 178.300 -1.037 1
1 108 . 1 1 1 A 17 17 GLU CA C 17 58.536 58.568 -0.032 1
1 109 . 1 1 1 A 17 17 GLU CB C 17 29.369 28.513 0.856 1
1 111 . 1 1 1 A 17 17 GLU N N 17 119.982 120.490 -0.508 1
1 112 . 1 1 1 A 18 18 CYS H H 18 7.938 7.899 0.039 1
1 113 . 1 1 1 A 18 18 CYS HA H 18 5.196 4.700 0.496 1
1 116 . 1 1 1 A 18 18 CYS C C 18 176.278 175.561 0.717 1
1 117 . 1 1 1 A 18 18 CYS CA C 18 58.263 59.444 -1.181 1
1 118 . 1 1 1 A 18 18 CYS CB C 18 32.587 30.068 2.519 1
1 119 . 1 1 1 A 18 18 CYS N N 18 114.272 114.582 -0.310 1
1 120 . 1 1 1 A 19 19 GLY H H 19 8.314 8.280 0.034 1
1 121 . 1 1 1 A 19 19 GLY HA2 H 19 4.268 4.094 0.174 1
1 122 . 1 1 1 A 19 19 GLY HA3 H 19 3.673 4.106 -0.433 1
1 123 . 1 1 1 A 19 19 GLY C C 19 173.616 174.753 -1.137 1
1 124 . 1 1 1 A 19 19 GLY CA C 19 46.257 44.919 1.338 1
1 125 . 1 1 1 A 19 19 GLY N N 19 114.021 109.844 4.177 1
1 126 . 1 1 1 A 20 20 LYS H H 20 7.978 7.340 0.638 1
1 127 . 1 1 1 A 20 20 LYS HA H 20 3.931 4.272 -0.341 1
1 136 . 1 1 1 A 20 20 LYS C C 20 174.188 175.092 -0.904 1
1 137 . 1 1 1 A 20 20 LYS CA C 20 58.366 56.331 2.035 1
1 138 . 1 1 1 A 20 20 LYS CB C 20 33.708 34.202 -0.494 1
1 142 . 1 1 1 A 20 20 LYS N N 20 122.893 120.353 2.540 1
1 143 . 1 1 1 A 21 21 ARG H H 21 7.701 7.959 -0.258 1
1 144 . 1 1 1 A 21 21 ARG HA H 21 5.225 5.460 -0.235 1
1 151 . 1 1 1 A 21 21 ARG C C 21 175.407 174.426 0.981 1
1 152 . 1 1 1 A 21 21 ARG CA C 21 54.329 54.242 0.087 1
1 153 . 1 1 1 A 21 21 ARG CB C 21 33.812 34.630 -0.818 1
1 156 . 1 1 1 A 21 21 ARG N N 21 118.953 118.624 0.329 1
1 157 . 1 1 1 A 22 22 PHE H H 22 8.809 9.025 -0.216 1
1 158 . 1 1 1 A 22 22 PHE HA H 22 4.843 4.922 -0.079 1
1 166 . 1 1 1 A 22 22 PHE C C 22 175.443 175.562 -0.119 1
1 167 . 1 1 1 A 22 22 PHE CA C 22 57.033 56.978 0.055 1
1 168 . 1 1 1 A 22 22 PHE CB C 22 43.947 42.933 1.014 1
1 174 . 1 1 1 A 22 22 PHE N N 22 116.286 119.608 -3.322 1
1 175 . 1 1 1 A 23 23 THR H H 23 8.980 8.740 0.240 1
1 176 . 1 1 1 A 23 23 THR HA H 23 4.463 4.495 -0.032 1
1 181 . 1 1 1 A 23 23 THR C C 23 174.420 174.056 0.364 1
1 182 . 1 1 1 A 23 23 THR CA C 23 64.989 63.612 1.377 1
1 183 . 1 1 1 A 23 23 THR CB C 23 69.648 69.880 -0.232 1
1 185 . 1 1 1 A 23 23 THR N N 23 114.709 117.412 -2.703 1
1 186 . 1 1 1 A 24 24 GLN H H 24 7.526 7.641 -0.115 1
1 187 . 1 1 1 A 24 24 GLN HA H 24 4.809 4.297 0.512 1
1 194 . 1 1 1 A 24 24 GLN C C 24 176.247 175.134 1.113 1
1 195 . 1 1 1 A 24 24 GLN CA C 24 53.833 54.259 -0.426 1
1 196 . 1 1 1 A 24 24 GLN CB C 24 32.628 31.889 0.739 1
1 198 . 1 1 1 A 24 24 GLN N N 24 115.299 118.599 -3.300 1
1 200 . 1 1 1 A 25 25 ASN HA H 25 3.359 3.635 -0.276 1
1 205 . 1 1 1 A 25 25 ASN CA C 25 55.668 55.414 0.254 1
1 206 . 1 1 1 A 25 25 ASN CB C 25 37.930 36.887 1.043 1
1 207 . 1 1 1 A 25 25 ASN N N 25 119.000 119.936 -0.936 1
1 209 . 1 1 1 A 26 26 SER HA H 26 4.003 4.060 -0.057 1
1 212 . 1 1 1 A 26 26 SER C C 26 177.207 176.318 0.889 1
1 213 . 1 1 1 A 26 26 SER CA C 26 60.851 61.614 -0.763 1
1 214 . 1 1 1 A 26 26 SER CB C 26 61.368 63.209 -1.841 1
1 215 . 1 1 1 A 26 26 SER N N 26 118.833 115.254 3.579 1
1 216 . 1 1 1 A 27 27 GLN H H 27 6.685 7.363 -0.678 1
1 217 . 1 1 1 A 27 27 GLN HA H 27 4.060 3.973 0.087 1
1 224 . 1 1 1 A 27 27 GLN C C 27 178.447 177.678 0.769 1
1 225 . 1 1 1 A 27 27 GLN CA C 27 57.550 58.688 -1.138 1
1 226 . 1 1 1 A 27 27 GLN CB C 27 28.617 28.492 0.125 1
1 228 . 1 1 1 A 27 27 GLN N N 27 121.169 121.331 -0.162 1
1 230 . 1 1 1 A 28 28 LEU H H 28 6.836 7.216 -0.380 1
1 231 . 1 1 1 A 28 28 LEU HA H 28 3.150 2.216 0.934 1
1 241 . 1 1 1 A 28 28 LEU C C 28 177.696 178.092 -0.396 1
1 242 . 1 1 1 A 28 28 LEU CA C 28 57.849 57.348 0.501 1
1 243 . 1 1 1 A 28 28 LEU CB C 28 40.265 41.543 -1.278 1
1 247 . 1 1 1 A 28 28 LEU N N 28 121.952 121.054 0.898 1
1 248 . 1 1 1 A 29 29 HIS H H 29 8.184 8.836 -0.652 1
1 249 . 1 1 1 A 29 29 HIS HA H 29 4.354 4.267 0.087 1
1 254 . 1 1 1 A 29 29 HIS C C 29 178.575 176.986 1.589 1
1 255 . 1 1 1 A 29 29 HIS CA C 29 59.335 59.253 0.082 1
1 256 . 1 1 1 A 29 29 HIS CB C 29 30.003 29.730 0.273 1
1 259 . 1 1 1 A 29 29 HIS N N 29 118.076 117.177 0.899 1
1 260 . 1 1 1 A 30 30 SER H H 30 7.774 7.484 0.290 1
1 261 . 1 1 1 A 30 30 SER HA H 30 4.114 4.224 -0.110 1
1 264 . 1 1 1 A 30 30 SER C C 30 176.995 177.003 -0.008 1
1 265 . 1 1 1 A 30 30 SER CA C 30 61.403 60.574 0.829 1
1 266 . 1 1 1 A 30 30 SER CB C 30 62.700 62.883 -0.183 1
1 267 . 1 1 1 A 30 30 SER N N 30 113.416 115.144 -1.728 1
1 268 . 1 1 1 A 31 31 HIS H H 31 7.674 7.722 -0.048 1
1 269 . 1 1 1 A 31 31 HIS HA H 31 4.244 4.222 0.022 1
1 274 . 1 1 1 A 31 31 HIS C C 31 175.921 177.180 -1.259 1
1 275 . 1 1 1 A 31 31 HIS CA C 31 58.808 59.336 -0.528 1
1 276 . 1 1 1 A 31 31 HIS CB C 31 28.456 30.176 -1.720 1
1 279 . 1 1 1 A 31 31 HIS N N 31 121.035 120.994 0.041 1
1 280 . 1 1 1 A 32 32 GLN H H 32 8.120 8.719 -0.599 1
1 281 . 1 1 1 A 32 32 GLN HA H 32 3.662 4.139 -0.477 1
1 288 . 1 1 1 A 32 32 GLN C C 32 177.273 178.462 -1.189 1
1 289 . 1 1 1 A 32 32 GLN CA C 32 59.264 59.003 0.261 1
1 290 . 1 1 1 A 32 32 GLN CB C 32 28.135 28.253 -0.118 1
1 292 . 1 1 1 A 32 32 GLN N N 32 115.343 118.569 -3.226 1
1 294 . 1 1 1 A 33 33 ARG H H 33 7.065 8.070 -1.005 1
1 295 . 1 1 1 A 33 33 ARG HA H 33 4.124 4.190 -0.066 1
1 302 . 1 1 1 A 33 33 ARG C C 33 178.476 178.988 -0.512 1
1 303 . 1 1 1 A 33 33 ARG CA C 33 58.372 58.978 -0.606 1
1 304 . 1 1 1 A 33 33 ARG CB C 33 29.919 30.238 -0.319 1
1 307 . 1 1 1 A 33 33 ARG N N 33 117.435 120.087 -2.652 1
1 308 . 1 1 1 A 34 34 VAL H H 34 7.882 7.912 -0.030 1
1 309 . 1 1 1 A 34 34 VAL HA H 34 3.899 4.099 -0.200 1
1 317 . 1 1 1 A 34 34 VAL C C 34 177.238 176.697 0.541 1
1 318 . 1 1 1 A 34 34 VAL CA C 34 63.969 65.180 -1.211 1
1 319 . 1 1 1 A 34 34 VAL CB C 34 31.000 31.226 -0.226 1
1 322 . 1 1 1 A 34 34 VAL N N 34 116.190 116.402 -0.212 1
1 323 . 1 1 1 A 35 35 HIS H H 35 7.203 7.848 -0.645 1
1 324 . 1 1 1 A 35 35 HIS HA H 35 4.877 4.443 0.434 1
1 329 . 1 1 1 A 35 35 HIS C C 35 175.781 176.004 -0.223 1
1 330 . 1 1 1 A 35 35 HIS CA C 35 55.155 58.061 -2.906 1
1 331 . 1 1 1 A 35 35 HIS CB C 35 28.648 30.739 -2.091 1
1 334 . 1 1 1 A 35 35 HIS N N 35 117.199 119.845 -2.646 1
1 335 . 1 1 1 A 36 36 THR H H 36 7.779 7.695 0.084 1
1 336 . 1 1 1 A 36 36 THR HA H 36 4.353 4.388 -0.035 1
1 341 . 1 1 1 A 36 36 THR C C 36 175.511 174.486 1.025 1
1 342 . 1 1 1 A 36 36 THR CA C 36 62.495 61.512 0.983 1
1 343 . 1 1 1 A 36 36 THR CB C 36 69.840 68.904 0.936 1
1 345 . 1 1 1 A 36 36 THR N N 36 111.736 105.945 5.791 1
1 346 . 1 1 1 A 37 37 GLY H H 37 8.231 7.806 0.425 1
1 347 . 1 1 1 A 37 37 GLY HA2 H 37 4.026 3.894 0.132 1
1 348 . 1 1 1 A 37 37 GLY HA3 H 37 3.951 3.899 0.052 1
1 349 . 1 1 1 A 37 37 GLY C C 37 174.029 174.409 -0.380 1
1 350 . 1 1 1 A 37 37 GLY CA C 37 45.277 46.693 -1.416 1
1 351 . 1 1 1 A 37 37 GLY N N 37 110.634 109.757 0.877 1
1 352 . 1 1 1 A 38 38 GLU H H 38 8.089 8.689 -0.600 1
1 353 . 1 1 1 A 38 38 GLU HA H 38 4.246 4.607 -0.361 1
1 358 . 1 1 1 A 38 38 GLU C C 38 176.458 174.925 1.533 1
1 359 . 1 1 1 A 38 38 GLU CA C 38 56.489 55.552 0.937 1
1 360 . 1 1 1 A 38 38 GLU CB C 38 30.515 29.814 0.701 1
1 362 . 1 1 1 A 38 38 GLU N N 38 120.563 123.017 -2.454 1
1 363 . 1 1 1 A 39 39 LYS H H 39 8.395 7.909 0.486 1
1 364 . 1 1 1 A 39 39 LYS HA H 39 4.604 4.799 -0.195 1
1 373 . 1 1 1 A 39 39 LYS C C 39 174.345 174.047 0.298 1
1 374 . 1 1 1 A 39 39 LYS CA C 39 54.144 52.840 1.304 1
1 375 . 1 1 1 A 39 39 LYS CB C 39 32.504 34.849 -2.345 1
1 379 . 1 1 1 A 39 39 LYS N N 39 123.827 123.118 0.709 1
1 380 . 1 1 1 A 40 40 PRO HA H 40 4.456 4.549 -0.093 1
1 387 . 1 1 1 A 40 40 PRO CA C 40 63.186 62.838 0.348 1
1 388 . 1 1 1 A 40 40 PRO CB C 40 32.177 31.716 0.461 1
1 391 . 1 1 1 A 41 41 SER H H 41 8.483 8.483 0.000 1
1 392 . 1 1 1 A 41 41 SER HA H 41 4.453 4.240 0.213 1
1 395 . 1 1 1 A 41 41 SER CA C 41 58.591 59.720 -1.129 1
1 396 . 1 1 1 A 41 41 SER CB C 41 63.944 63.162 0.782 1
1 397 . 1 1 1 A 41 41 SER N N 41 116.550 118.191 -1.641 1
1 398 . 1 1 1 A 42 42 GLY H H 42 8.230 8.339 -0.109 1
1 399 . 1 1 1 A 42 42 GLY HA2 H 42 4.159 4.260 -0.101 1
1 400 . 1 1 1 A 42 42 GLY HA3 H 42 4.111 4.260 -0.149 1
1 401 . 1 1 1 A 42 42 GLY CA C 42 44.656 45.848 -1.192 1
1 402 . 1 1 1 A 42 42 GLY N N 42 110.653 112.935 -2.282 1
1 403 . 1 1 1 A 43 43 PRO HA H 43 4.466 4.649 -0.183 1
1 410 . 1 1 1 A 43 43 PRO CA C 43 63.318 62.766 0.552 1
1 411 . 1 1 1 A 43 43 PRO CB C 43 32.206 31.568 0.638 1
1 414 . 1 1 1 A 44 44 SER H H 44 8.485 8.787 -0.302 1
1 1 . 2 1 1 A 9 9 GLY H H 9 8.233 8.821 -0.588 1
1 2 . 2 1 1 A 9 9 GLY HA2 H 9 4.025 4.153 -0.128 1
1 3 . 2 1 1 A 9 9 GLY HA3 H 9 3.948 4.160 -0.212 1
1 4 . 2 1 1 A 9 9 GLY C C 9 174.022 174.362 -0.340 1
1 5 . 2 1 1 A 9 9 GLY CA C 9 45.367 45.628 -0.261 1
1 6 . 2 1 1 A 9 9 GLY N N 9 110.543 112.022 -1.479 1
1 7 . 2 1 1 A 10 10 GLU H H 10 8.175 7.965 0.210 1
1 8 . 2 1 1 A 10 10 GLU HA H 10 4.187 4.341 -0.154 1
1 13 . 2 1 1 A 10 10 GLU C C 10 176.220 175.400 0.820 1
1 14 . 2 1 1 A 10 10 GLU CA C 10 56.730 56.077 0.653 1
1 15 . 2 1 1 A 10 10 GLU CB C 10 30.395 30.685 -0.290 1
1 17 . 2 1 1 A 10 10 GLU N N 10 120.194 120.080 0.114 1
1 18 . 2 1 1 A 11 11 LYS H H 11 8.391 8.411 -0.020 1
1 19 . 2 1 1 A 11 11 LYS HA H 11 4.528 4.921 -0.393 1
1 28 . 2 1 1 A 11 11 LYS C C 11 174.468 175.726 -1.258 1
1 29 . 2 1 1 A 11 11 LYS CA C 11 54.112 52.539 1.573 1
1 30 . 2 1 1 A 11 11 LYS CB C 11 33.635 34.997 -1.362 1
1 34 . 2 1 1 A 11 11 LYS N N 11 121.933 122.492 -0.559 1
1 35 . 2 1 1 A 12 12 PRO HA H 12 4.229 4.369 -0.140 1
1 42 . 2 1 1 A 12 12 PRO C C 12 176.420 176.038 0.382 1
1 43 . 2 1 1 A 12 12 PRO CA C 12 63.948 64.225 -0.277 1
1 44 . 2 1 1 A 12 12 PRO CB C 12 32.366 31.659 0.707 1
1 47 . 2 1 1 A 13 13 PHE H H 13 7.694 7.289 0.405 1
1 48 . 2 1 1 A 13 13 PHE HA H 13 4.700 5.143 -0.443 1
1 56 . 2 1 1 A 13 13 PHE C C 13 174.071 174.180 -0.109 1
1 57 . 2 1 1 A 13 13 PHE CA C 13 57.784 56.828 0.956 1
1 58 . 2 1 1 A 13 13 PHE CB C 13 39.605 41.420 -1.815 1
1 64 . 2 1 1 A 13 13 PHE N N 13 117.427 118.136 -0.709 1
1 65 . 2 1 1 A 14 14 LYS H H 14 8.784 8.881 -0.097 1
1 66 . 2 1 1 A 14 14 LYS HA H 14 4.976 5.296 -0.320 1
1 75 . 2 1 1 A 14 14 LYS C C 14 174.467 174.985 -0.518 1
1 76 . 2 1 1 A 14 14 LYS CA C 14 54.862 54.814 0.048 1
1 77 . 2 1 1 A 14 14 LYS CB C 14 36.253 36.525 -0.272 1
1 81 . 2 1 1 A 14 14 LYS N N 14 125.268 122.726 2.542 1
1 82 . 2 1 1 A 15 15 CYS H H 15 9.301 9.126 0.175 1
1 83 . 2 1 1 A 15 15 CYS HA H 15 4.615 4.671 -0.056 1
1 86 . 2 1 1 A 15 15 CYS C C 15 177.056 175.984 1.072 1
1 87 . 2 1 1 A 15 15 CYS CA C 15 59.312 59.145 0.167 1
1 88 . 2 1 1 A 15 15 CYS CB C 15 29.488 28.256 1.232 1
1 89 . 2 1 1 A 15 15 CYS N N 15 128.099 125.352 2.747 1
1 90 . 2 1 1 A 16 16 GLU H H 16 9.566 8.996 0.570 1
1 91 . 2 1 1 A 16 16 GLU HA H 16 4.132 4.094 0.038 1
1 96 . 2 1 1 A 16 16 GLU C C 16 177.004 178.499 -1.495 1
1 97 . 2 1 1 A 16 16 GLU CA C 16 58.483 59.584 -1.101 1
1 98 . 2 1 1 A 16 16 GLU CB C 16 29.405 29.233 0.172 1
1 100 . 2 1 1 A 16 16 GLU N N 16 132.079 127.672 4.407 1
1 101 . 2 1 1 A 17 17 GLU H H 17 8.515 8.423 0.092 1
1 102 . 2 1 1 A 17 17 GLU HA H 17 4.166 3.936 0.230 1
1 107 . 2 1 1 A 17 17 GLU C C 17 177.263 178.196 -0.933 1
1 108 . 2 1 1 A 17 17 GLU CA C 17 58.536 58.598 -0.062 1
1 109 . 2 1 1 A 17 17 GLU CB C 17 29.369 28.285 1.084 1
1 111 . 2 1 1 A 17 17 GLU N N 17 119.982 120.397 -0.415 1
1 112 . 2 1 1 A 18 18 CYS H H 18 7.938 7.859 0.079 1
1 113 . 2 1 1 A 18 18 CYS HA H 18 5.196 4.728 0.468 1
1 116 . 2 1 1 A 18 18 CYS C C 18 176.278 175.616 0.662 1
1 117 . 2 1 1 A 18 18 CYS CA C 18 58.263 59.373 -1.110 1
1 118 . 2 1 1 A 18 18 CYS CB C 18 32.587 30.233 2.354 1
1 119 . 2 1 1 A 18 18 CYS N N 18 114.272 114.660 -0.388 1
1 120 . 2 1 1 A 19 19 GLY H H 19 8.314 8.252 0.062 1
1 121 . 2 1 1 A 19 19 GLY HA2 H 19 4.268 4.075 0.193 1
1 122 . 2 1 1 A 19 19 GLY HA3 H 19 3.673 4.085 -0.412 1
1 123 . 2 1 1 A 19 19 GLY C C 19 173.616 174.913 -1.297 1
1 124 . 2 1 1 A 19 19 GLY CA C 19 46.257 45.041 1.216 1
1 125 . 2 1 1 A 19 19 GLY N N 19 114.021 110.071 3.950 1
1 126 . 2 1 1 A 20 20 LYS H H 20 7.978 7.297 0.681 1
1 127 . 2 1 1 A 20 20 LYS HA H 20 3.931 4.260 -0.329 1
1 136 . 2 1 1 A 20 20 LYS C C 20 174.188 175.060 -0.872 1
1 137 . 2 1 1 A 20 20 LYS CA C 20 58.366 56.264 2.102 1
1 138 . 2 1 1 A 20 20 LYS CB C 20 33.708 34.166 -0.458 1
1 142 . 2 1 1 A 20 20 LYS N N 20 122.893 120.438 2.455 1
1 143 . 2 1 1 A 21 21 ARG H H 21 7.701 7.933 -0.232 1
1 144 . 2 1 1 A 21 21 ARG HA H 21 5.225 5.369 -0.144 1
1 151 . 2 1 1 A 21 21 ARG C C 21 175.407 174.380 1.027 1
1 152 . 2 1 1 A 21 21 ARG CA C 21 54.329 54.176 0.153 1
1 153 . 2 1 1 A 21 21 ARG CB C 21 33.812 34.656 -0.844 1
1 156 . 2 1 1 A 21 21 ARG N N 21 118.953 118.579 0.374 1
1 157 . 2 1 1 A 22 22 PHE H H 22 8.809 9.002 -0.193 1
1 158 . 2 1 1 A 22 22 PHE HA H 22 4.843 4.914 -0.071 1
1 166 . 2 1 1 A 22 22 PHE C C 22 175.443 175.544 -0.101 1
1 167 . 2 1 1 A 22 22 PHE CA C 22 57.033 56.955 0.078 1
1 168 . 2 1 1 A 22 22 PHE CB C 22 43.947 42.929 1.018 1
1 174 . 2 1 1 A 22 22 PHE N N 22 116.286 119.575 -3.289 1
1 175 . 2 1 1 A 23 23 THR H H 23 8.980 8.773 0.207 1
1 176 . 2 1 1 A 23 23 THR HA H 23 4.463 4.523 -0.060 1
1 181 . 2 1 1 A 23 23 THR C C 23 174.420 173.973 0.447 1
1 182 . 2 1 1 A 23 23 THR CA C 23 64.989 63.602 1.387 1
1 183 . 2 1 1 A 23 23 THR CB C 23 69.648 69.757 -0.109 1
1 185 . 2 1 1 A 23 23 THR N N 23 114.709 117.408 -2.699 1
1 186 . 2 1 1 A 24 24 GLN H H 24 7.526 7.562 -0.036 1
1 187 . 2 1 1 A 24 24 GLN HA H 24 4.809 4.315 0.494 1
1 194 . 2 1 1 A 24 24 GLN C C 24 176.247 175.178 1.069 1
1 195 . 2 1 1 A 24 24 GLN CA C 24 53.833 54.202 -0.369 1
1 196 . 2 1 1 A 24 24 GLN CB C 24 32.628 31.954 0.674 1
1 198 . 2 1 1 A 24 24 GLN N N 24 115.299 118.718 -3.419 1
1 200 . 2 1 1 A 25 25 ASN HA H 25 3.359 3.584 -0.225 1
1 205 . 2 1 1 A 25 25 ASN CA C 25 55.668 55.485 0.183 1
1 206 . 2 1 1 A 25 25 ASN CB C 25 37.930 37.153 0.777 1
1 207 . 2 1 1 A 25 25 ASN N N 25 119.000 120.068 -1.068 1
1 209 . 2 1 1 A 26 26 SER HA H 26 4.003 4.136 -0.133 1
1 212 . 2 1 1 A 26 26 SER C C 26 177.207 176.281 0.926 1
1 213 . 2 1 1 A 26 26 SER CA C 26 60.851 61.656 -0.805 1
1 214 . 2 1 1 A 26 26 SER CB C 26 61.368 63.289 -1.921 1
1 215 . 2 1 1 A 26 26 SER N N 26 118.833 115.330 3.503 1
1 216 . 2 1 1 A 27 27 GLN H H 27 6.685 7.497 -0.812 1
1 217 . 2 1 1 A 27 27 GLN HA H 27 4.060 3.879 0.181 1
1 224 . 2 1 1 A 27 27 GLN C C 27 178.447 177.627 0.820 1
1 225 . 2 1 1 A 27 27 GLN CA C 27 57.550 58.653 -1.103 1
1 226 . 2 1 1 A 27 27 GLN CB C 27 28.617 28.303 0.314 1
1 228 . 2 1 1 A 27 27 GLN N N 27 121.169 121.044 0.125 1
1 230 . 2 1 1 A 28 28 LEU H H 28 6.836 7.176 -0.340 1
1 231 . 2 1 1 A 28 28 LEU HA H 28 3.150 2.305 0.845 1
1 241 . 2 1 1 A 28 28 LEU C C 28 177.696 178.120 -0.424 1
1 242 . 2 1 1 A 28 28 LEU CA C 28 57.849 57.383 0.466 1
1 243 . 2 1 1 A 28 28 LEU CB C 28 40.265 41.448 -1.183 1
1 247 . 2 1 1 A 28 28 LEU N N 28 121.952 120.997 0.955 1
1 248 . 2 1 1 A 29 29 HIS H H 29 8.184 8.397 -0.213 1
1 249 . 2 1 1 A 29 29 HIS HA H 29 4.354 4.295 0.059 1
1 254 . 2 1 1 A 29 29 HIS C C 29 178.575 177.140 1.435 1
1 255 . 2 1 1 A 29 29 HIS CA C 29 59.335 59.299 0.036 1
1 256 . 2 1 1 A 29 29 HIS CB C 29 30.003 29.621 0.382 1
1 259 . 2 1 1 A 29 29 HIS N N 29 118.076 117.121 0.955 1
1 260 . 2 1 1 A 30 30 SER H H 30 7.774 7.564 0.210 1
1 261 . 2 1 1 A 30 30 SER HA H 30 4.114 4.204 -0.090 1
1 264 . 2 1 1 A 30 30 SER C C 30 176.995 176.999 -0.004 1
1 265 . 2 1 1 A 30 30 SER CA C 30 61.403 60.636 0.767 1
1 266 . 2 1 1 A 30 30 SER CB C 30 62.700 62.895 -0.195 1
1 267 . 2 1 1 A 30 30 SER N N 30 113.416 115.134 -1.718 1
1 268 . 2 1 1 A 31 31 HIS H H 31 7.674 7.751 -0.077 1
1 269 . 2 1 1 A 31 31 HIS HA H 31 4.244 4.218 0.026 1
1 274 . 2 1 1 A 31 31 HIS C C 31 175.921 177.237 -1.316 1
1 275 . 2 1 1 A 31 31 HIS CA C 31 58.808 59.324 -0.516 1
1 276 . 2 1 1 A 31 31 HIS CB C 31 28.456 30.138 -1.682 1
1 279 . 2 1 1 A 31 31 HIS N N 31 121.035 120.975 0.060 1
1 280 . 2 1 1 A 32 32 GLN H H 32 8.120 8.683 -0.563 1
1 281 . 2 1 1 A 32 32 GLN HA H 32 3.662 4.125 -0.463 1
1 288 . 2 1 1 A 32 32 GLN C C 32 177.273 178.591 -1.318 1
1 289 . 2 1 1 A 32 32 GLN CA C 32 59.264 59.092 0.172 1
1 290 . 2 1 1 A 32 32 GLN CB C 32 28.135 28.234 -0.099 1
1 292 . 2 1 1 A 32 32 GLN N N 32 115.343 118.487 -3.144 1
1 294 . 2 1 1 A 33 33 ARG H H 33 7.065 8.037 -0.972 1
1 295 . 2 1 1 A 33 33 ARG HA H 33 4.124 4.278 -0.154 1
1 302 . 2 1 1 A 33 33 ARG C C 33 178.476 178.974 -0.498 1
1 303 . 2 1 1 A 33 33 ARG CA C 33 58.372 58.936 -0.564 1
1 304 . 2 1 1 A 33 33 ARG CB C 33 29.919 29.838 0.081 1
1 307 . 2 1 1 A 33 33 ARG N N 33 117.435 120.188 -2.753 1
1 308 . 2 1 1 A 34 34 VAL H H 34 7.882 7.929 -0.047 1
1 309 . 2 1 1 A 34 34 VAL HA H 34 3.899 3.722 0.177 1
1 317 . 2 1 1 A 34 34 VAL C C 34 177.238 177.156 0.082 1
1 318 . 2 1 1 A 34 34 VAL CA C 34 63.969 65.182 -1.213 1
1 319 . 2 1 1 A 34 34 VAL CB C 34 31.000 31.241 -0.241 1
1 322 . 2 1 1 A 34 34 VAL N N 34 116.190 116.564 -0.374 1
1 323 . 2 1 1 A 35 35 HIS H H 35 7.203 7.690 -0.487 1
1 324 . 2 1 1 A 35 35 HIS HA H 35 4.877 4.465 0.412 1
1 329 . 2 1 1 A 35 35 HIS C C 35 175.781 175.992 -0.211 1
1 330 . 2 1 1 A 35 35 HIS CA C 35 55.155 58.223 -3.068 1
1 331 . 2 1 1 A 35 35 HIS CB C 35 28.648 30.805 -2.157 1
1 334 . 2 1 1 A 35 35 HIS N N 35 117.199 119.902 -2.703 1
1 335 . 2 1 1 A 36 36 THR H H 36 7.779 7.769 0.010 1
1 336 . 2 1 1 A 36 36 THR HA H 36 4.353 4.306 0.047 1
1 341 . 2 1 1 A 36 36 THR C C 36 175.511 174.564 0.947 1
1 342 . 2 1 1 A 36 36 THR CA C 36 62.495 61.410 1.085 1
1 343 . 2 1 1 A 36 36 THR CB C 36 69.840 68.534 1.306 1
1 345 . 2 1 1 A 36 36 THR N N 36 111.736 111.167 0.569 1
1 346 . 2 1 1 A 37 37 GLY H H 37 8.231 7.627 0.604 1
1 347 . 2 1 1 A 37 37 GLY HA2 H 37 4.026 4.034 -0.008 1
1 348 . 2 1 1 A 37 37 GLY HA3 H 37 3.951 4.044 -0.093 1
1 349 . 2 1 1 A 37 37 GLY C C 37 174.029 173.691 0.338 1
1 350 . 2 1 1 A 37 37 GLY CA C 37 45.277 45.927 -0.650 1
1 351 . 2 1 1 A 37 37 GLY N N 37 110.634 110.592 0.042 1
1 352 . 2 1 1 A 38 38 GLU H H 38 8.089 8.077 0.012 1
1 353 . 2 1 1 A 38 38 GLU HA H 38 4.246 4.791 -0.545 1
1 358 . 2 1 1 A 38 38 GLU C C 38 176.458 175.010 1.448 1
1 359 . 2 1 1 A 38 38 GLU CA C 38 56.489 55.284 1.205 1
1 360 . 2 1 1 A 38 38 GLU CB C 38 30.515 31.663 -1.148 1
1 362 . 2 1 1 A 38 38 GLU N N 38 120.563 120.252 0.311 1
1 363 . 2 1 1 A 39 39 LYS H H 39 8.395 8.840 -0.445 1
1 364 . 2 1 1 A 39 39 LYS HA H 39 4.604 5.038 -0.434 1
1 373 . 2 1 1 A 39 39 LYS C C 39 174.345 173.600 0.745 1
1 374 . 2 1 1 A 39 39 LYS CA C 39 54.144 53.819 0.325 1
1 375 . 2 1 1 A 39 39 LYS CB C 39 32.504 35.839 -3.335 1
1 379 . 2 1 1 A 39 39 LYS N N 39 123.827 124.050 -0.223 1
1 380 . 2 1 1 A 40 40 PRO HA H 40 4.456 4.447 0.009 1
1 387 . 2 1 1 A 40 40 PRO CA C 40 63.186 62.840 0.346 1
1 388 . 2 1 1 A 40 40 PRO CB C 40 32.177 32.107 0.070 1
1 391 . 2 1 1 A 41 41 SER H H 41 8.483 8.512 -0.029 1
1 392 . 2 1 1 A 41 41 SER HA H 41 4.453 4.356 0.097 1
1 395 . 2 1 1 A 41 41 SER CA C 41 58.591 59.160 -0.569 1
1 396 . 2 1 1 A 41 41 SER CB C 41 63.944 63.335 0.609 1
1 397 . 2 1 1 A 41 41 SER N N 41 116.550 115.841 0.709 1
1 398 . 2 1 1 A 42 42 GLY H H 42 8.230 8.249 -0.019 1
1 399 . 2 1 1 A 42 42 GLY HA2 H 42 4.159 4.103 0.056 1
1 400 . 2 1 1 A 42 42 GLY HA3 H 42 4.111 4.105 0.006 1
1 401 . 2 1 1 A 42 42 GLY CA C 42 44.656 46.116 -1.460 1
1 402 . 2 1 1 A 42 42 GLY N N 42 110.653 109.288 1.365 1
1 403 . 2 1 1 A 43 43 PRO HA H 43 4.466 4.609 -0.143 1
1 410 . 2 1 1 A 43 43 PRO CA C 43 63.318 62.685 0.633 1
1 411 . 2 1 1 A 43 43 PRO CB C 43 32.206 31.449 0.757 1
1 414 . 2 1 1 A 44 44 SER H H 44 8.485 8.504 -0.019 1
1 1 . 3 1 1 A 9 9 GLY H H 9 8.233 8.435 -0.202 1
1 2 . 3 1 1 A 9 9 GLY HA2 H 9 4.025 3.978 0.047 1
1 3 . 3 1 1 A 9 9 GLY HA3 H 9 3.948 3.982 -0.034 1
1 4 . 3 1 1 A 9 9 GLY C C 9 174.022 173.638 0.384 1
1 5 . 3 1 1 A 9 9 GLY CA C 9 45.367 45.470 -0.103 1
1 6 . 3 1 1 A 9 9 GLY N N 9 110.543 109.222 1.321 1
1 7 . 3 1 1 A 10 10 GLU H H 10 8.175 7.847 0.328 1
1 8 . 3 1 1 A 10 10 GLU HA H 10 4.187 4.844 -0.657 1
1 13 . 3 1 1 A 10 10 GLU C C 10 176.220 174.341 1.879 1
1 14 . 3 1 1 A 10 10 GLU CA C 10 56.730 54.928 1.802 1
1 15 . 3 1 1 A 10 10 GLU CB C 10 30.395 32.627 -2.232 1
1 17 . 3 1 1 A 10 10 GLU N N 10 120.194 116.249 3.945 1
1 18 . 3 1 1 A 11 11 LYS H H 11 8.391 8.685 -0.294 1
1 19 . 3 1 1 A 11 11 LYS HA H 11 4.528 4.970 -0.442 1
1 28 . 3 1 1 A 11 11 LYS C C 11 174.468 175.875 -1.407 1
1 29 . 3 1 1 A 11 11 LYS CA C 11 54.112 52.733 1.379 1
1 30 . 3 1 1 A 11 11 LYS CB C 11 33.635 35.129 -1.494 1
1 34 . 3 1 1 A 11 11 LYS N N 11 121.933 123.785 -1.852 1
1 35 . 3 1 1 A 12 12 PRO HA H 12 4.229 4.421 -0.192 1
1 42 . 3 1 1 A 12 12 PRO C C 12 176.420 176.028 0.392 1
1 43 . 3 1 1 A 12 12 PRO CA C 12 63.948 64.196 -0.248 1
1 44 . 3 1 1 A 12 12 PRO CB C 12 32.366 31.490 0.876 1
1 47 . 3 1 1 A 13 13 PHE H H 13 7.694 7.231 0.463 1
1 48 . 3 1 1 A 13 13 PHE HA H 13 4.700 5.215 -0.515 1
1 56 . 3 1 1 A 13 13 PHE C C 13 174.071 174.420 -0.349 1
1 57 . 3 1 1 A 13 13 PHE CA C 13 57.784 57.038 0.746 1
1 58 . 3 1 1 A 13 13 PHE CB C 13 39.605 41.953 -2.348 1
1 64 . 3 1 1 A 13 13 PHE N N 13 117.427 118.497 -1.070 1
1 65 . 3 1 1 A 14 14 LYS H H 14 8.784 8.871 -0.087 1
1 66 . 3 1 1 A 14 14 LYS HA H 14 4.976 5.343 -0.367 1
1 75 . 3 1 1 A 14 14 LYS C C 14 174.467 174.991 -0.524 1
1 76 . 3 1 1 A 14 14 LYS CA C 14 54.862 55.065 -0.203 1
1 77 . 3 1 1 A 14 14 LYS CB C 14 36.253 36.493 -0.240 1
1 81 . 3 1 1 A 14 14 LYS N N 14 125.268 122.126 3.142 1
1 82 . 3 1 1 A 15 15 CYS H H 15 9.301 9.086 0.215 1
1 83 . 3 1 1 A 15 15 CYS HA H 15 4.615 4.607 0.008 1
1 86 . 3 1 1 A 15 15 CYS C C 15 177.056 175.564 1.492 1
1 87 . 3 1 1 A 15 15 CYS CA C 15 59.312 59.015 0.297 1
1 88 . 3 1 1 A 15 15 CYS CB C 15 29.488 27.529 1.959 1
1 89 . 3 1 1 A 15 15 CYS N N 15 128.099 125.409 2.690 1
1 90 . 3 1 1 A 16 16 GLU H H 16 9.566 8.364 1.202 1
1 91 . 3 1 1 A 16 16 GLU HA H 16 4.132 4.105 0.027 1
1 96 . 3 1 1 A 16 16 GLU C C 16 177.004 178.483 -1.479 1
1 97 . 3 1 1 A 16 16 GLU CA C 16 58.483 59.185 -0.702 1
1 98 . 3 1 1 A 16 16 GLU CB C 16 29.405 29.326 0.079 1
1 100 . 3 1 1 A 16 16 GLU N N 16 132.079 127.046 5.033 1
1 101 . 3 1 1 A 17 17 GLU H H 17 8.515 8.328 0.187 1
1 102 . 3 1 1 A 17 17 GLU HA H 17 4.166 3.894 0.272 1
1 107 . 3 1 1 A 17 17 GLU C C 17 177.263 178.298 -1.035 1
1 108 . 3 1 1 A 17 17 GLU CA C 17 58.536 58.553 -0.017 1
1 109 . 3 1 1 A 17 17 GLU CB C 17 29.369 28.465 0.904 1
1 111 . 3 1 1 A 17 17 GLU N N 17 119.982 120.131 -0.149 1
1 112 . 3 1 1 A 18 18 CYS H H 18 7.938 7.572 0.366 1
1 113 . 3 1 1 A 18 18 CYS HA H 18 5.196 4.712 0.484 1
1 116 . 3 1 1 A 18 18 CYS C C 18 176.278 175.557 0.721 1
1 117 . 3 1 1 A 18 18 CYS CA C 18 58.263 59.449 -1.186 1
1 118 . 3 1 1 A 18 18 CYS CB C 18 32.587 30.184 2.403 1
1 119 . 3 1 1 A 18 18 CYS N N 18 114.272 114.576 -0.304 1
1 120 . 3 1 1 A 19 19 GLY H H 19 8.314 8.389 -0.075 1
1 121 . 3 1 1 A 19 19 GLY HA2 H 19 4.268 4.093 0.175 1
1 122 . 3 1 1 A 19 19 GLY HA3 H 19 3.673 4.103 -0.430 1
1 123 . 3 1 1 A 19 19 GLY C C 19 173.616 174.692 -1.076 1
1 124 . 3 1 1 A 19 19 GLY CA C 19 46.257 44.933 1.324 1
1 125 . 3 1 1 A 19 19 GLY N N 19 114.021 109.826 4.195 1
1 126 . 3 1 1 A 20 20 LYS H H 20 7.978 7.386 0.592 1
1 127 . 3 1 1 A 20 20 LYS HA H 20 3.931 4.264 -0.333 1
1 136 . 3 1 1 A 20 20 LYS C C 20 174.188 175.132 -0.944 1
1 137 . 3 1 1 A 20 20 LYS CA C 20 58.366 56.479 1.887 1
1 138 . 3 1 1 A 20 20 LYS CB C 20 33.708 34.182 -0.474 1
1 142 . 3 1 1 A 20 20 LYS N N 20 122.893 120.511 2.382 1
1 143 . 3 1 1 A 21 21 ARG H H 21 7.701 8.026 -0.325 1
1 144 . 3 1 1 A 21 21 ARG HA H 21 5.225 5.478 -0.253 1
1 151 . 3 1 1 A 21 21 ARG C C 21 175.407 174.539 0.868 1
1 152 . 3 1 1 A 21 21 ARG CA C 21 54.329 54.285 0.044 1
1 153 . 3 1 1 A 21 21 ARG CB C 21 33.812 34.744 -0.932 1
1 156 . 3 1 1 A 21 21 ARG N N 21 118.953 118.583 0.370 1
1 157 . 3 1 1 A 22 22 PHE H H 22 8.809 8.883 -0.074 1
1 158 . 3 1 1 A 22 22 PHE HA H 22 4.843 4.903 -0.060 1
1 166 . 3 1 1 A 22 22 PHE C C 22 175.443 175.566 -0.123 1
1 167 . 3 1 1 A 22 22 PHE CA C 22 57.033 56.993 0.040 1
1 168 . 3 1 1 A 22 22 PHE CB C 22 43.947 42.954 0.993 1
1 174 . 3 1 1 A 22 22 PHE N N 22 116.286 119.604 -3.318 1
1 175 . 3 1 1 A 23 23 THR H H 23 8.980 8.748 0.232 1
1 176 . 3 1 1 A 23 23 THR HA H 23 4.463 4.493 -0.030 1
1 181 . 3 1 1 A 23 23 THR C C 23 174.420 174.170 0.250 1
1 182 . 3 1 1 A 23 23 THR CA C 23 64.989 63.633 1.356 1
1 183 . 3 1 1 A 23 23 THR CB C 23 69.648 69.926 -0.278 1
1 185 . 3 1 1 A 23 23 THR N N 23 114.709 117.231 -2.522 1
1 186 . 3 1 1 A 24 24 GLN H H 24 7.526 7.714 -0.188 1
1 187 . 3 1 1 A 24 24 GLN HA H 24 4.809 4.459 0.350 1
1 194 . 3 1 1 A 24 24 GLN C C 24 176.247 175.156 1.091 1
1 195 . 3 1 1 A 24 24 GLN CA C 24 53.833 54.349 -0.516 1
1 196 . 3 1 1 A 24 24 GLN CB C 24 32.628 31.859 0.769 1
1 198 . 3 1 1 A 24 24 GLN N N 24 115.299 118.369 -3.070 1
1 200 . 3 1 1 A 25 25 ASN HA H 25 3.359 3.581 -0.222 1
1 205 . 3 1 1 A 25 25 ASN CA C 25 55.668 55.384 0.284 1
1 206 . 3 1 1 A 25 25 ASN CB C 25 37.930 36.831 1.099 1
1 207 . 3 1 1 A 25 25 ASN N N 25 119.000 119.705 -0.705 1
1 209 . 3 1 1 A 26 26 SER HA H 26 4.003 3.969 0.034 1
1 212 . 3 1 1 A 26 26 SER C C 26 177.207 176.346 0.861 1
1 213 . 3 1 1 A 26 26 SER CA C 26 60.851 61.367 -0.516 1
1 214 . 3 1 1 A 26 26 SER CB C 26 61.368 63.240 -1.872 1
1 215 . 3 1 1 A 26 26 SER N N 26 118.833 115.189 3.644 1
1 216 . 3 1 1 A 27 27 GLN H H 27 6.685 7.369 -0.684 1
1 217 . 3 1 1 A 27 27 GLN HA H 27 4.060 3.986 0.074 1
1 224 . 3 1 1 A 27 27 GLN C C 27 178.447 177.697 0.750 1
1 225 . 3 1 1 A 27 27 GLN CA C 27 57.550 58.698 -1.148 1
1 226 . 3 1 1 A 27 27 GLN CB C 27 28.617 28.491 0.126 1
1 228 . 3 1 1 A 27 27 GLN N N 27 121.169 121.333 -0.164 1
1 230 . 3 1 1 A 28 28 LEU H H 28 6.836 7.238 -0.402 1
1 231 . 3 1 1 A 28 28 LEU HA H 28 3.150 2.292 0.858 1
1 241 . 3 1 1 A 28 28 LEU C C 28 177.696 178.185 -0.489 1
1 242 . 3 1 1 A 28 28 LEU CA C 28 57.849 57.396 0.453 1
1 243 . 3 1 1 A 28 28 LEU CB C 28 40.265 41.617 -1.352 1
1 247 . 3 1 1 A 28 28 LEU N N 28 121.952 121.113 0.839 1
1 248 . 3 1 1 A 29 29 HIS H H 29 8.184 8.892 -0.708 1
1 249 . 3 1 1 A 29 29 HIS HA H 29 4.354 4.337 0.017 1
1 254 . 3 1 1 A 29 29 HIS C C 29 178.575 177.879 0.696 1
1 255 . 3 1 1 A 29 29 HIS CA C 29 59.335 59.221 0.114 1
1 256 . 3 1 1 A 29 29 HIS CB C 29 30.003 29.522 0.481 1
1 259 . 3 1 1 A 29 29 HIS N N 29 118.076 117.470 0.606 1
1 260 . 3 1 1 A 30 30 SER H H 30 7.774 7.741 0.033 1
1 261 . 3 1 1 A 30 30 SER HA H 30 4.114 4.270 -0.156 1
1 264 . 3 1 1 A 30 30 SER C C 30 176.995 176.222 0.773 1
1 265 . 3 1 1 A 30 30 SER CA C 30 61.403 61.450 -0.047 1
1 266 . 3 1 1 A 30 30 SER CB C 30 62.700 63.257 -0.557 1
1 267 . 3 1 1 A 30 30 SER N N 30 113.416 115.811 -2.395 1
1 268 . 3 1 1 A 31 31 HIS H H 31 7.674 7.705 -0.031 1
1 269 . 3 1 1 A 31 31 HIS HA H 31 4.244 4.245 -0.001 1
1 274 . 3 1 1 A 31 31 HIS C C 31 175.921 177.281 -1.360 1
1 275 . 3 1 1 A 31 31 HIS CA C 31 58.808 59.372 -0.564 1
1 276 . 3 1 1 A 31 31 HIS CB C 31 28.456 30.180 -1.724 1
1 279 . 3 1 1 A 31 31 HIS N N 31 121.035 121.570 -0.535 1
1 280 . 3 1 1 A 32 32 GLN H H 32 8.120 8.658 -0.538 1
1 281 . 3 1 1 A 32 32 GLN HA H 32 3.662 4.137 -0.475 1
1 288 . 3 1 1 A 32 32 GLN C C 32 177.273 178.605 -1.332 1
1 289 . 3 1 1 A 32 32 GLN CA C 32 59.264 58.815 0.449 1
1 290 . 3 1 1 A 32 32 GLN CB C 32 28.135 28.241 -0.106 1
1 292 . 3 1 1 A 32 32 GLN N N 32 115.343 118.341 -2.998 1
1 294 . 3 1 1 A 33 33 ARG H H 33 7.065 8.042 -0.977 1
1 295 . 3 1 1 A 33 33 ARG HA H 33 4.124 4.267 -0.143 1
1 302 . 3 1 1 A 33 33 ARG C C 33 178.476 178.979 -0.503 1
1 303 . 3 1 1 A 33 33 ARG CA C 33 58.372 58.924 -0.552 1
1 304 . 3 1 1 A 33 33 ARG CB C 33 29.919 29.835 0.084 1
1 307 . 3 1 1 A 33 33 ARG N N 33 117.435 120.249 -2.814 1
1 308 . 3 1 1 A 34 34 VAL H H 34 7.882 7.954 -0.072 1
1 309 . 3 1 1 A 34 34 VAL HA H 34 3.899 3.684 0.215 1
1 317 . 3 1 1 A 34 34 VAL C C 34 177.238 177.633 -0.395 1
1 318 . 3 1 1 A 34 34 VAL CA C 34 63.969 65.270 -1.301 1
1 319 . 3 1 1 A 34 34 VAL CB C 34 31.000 31.178 -0.178 1
1 322 . 3 1 1 A 34 34 VAL N N 34 116.190 116.735 -0.545 1
1 323 . 3 1 1 A 35 35 HIS H H 35 7.203 7.662 -0.459 1
1 324 . 3 1 1 A 35 35 HIS HA H 35 4.877 4.406 0.471 1
1 329 . 3 1 1 A 35 35 HIS C C 35 175.781 176.004 -0.223 1
1 330 . 3 1 1 A 35 35 HIS CA C 35 55.155 58.763 -3.608 1
1 331 . 3 1 1 A 35 35 HIS CB C 35 28.648 30.909 -2.261 1
1 334 . 3 1 1 A 35 35 HIS N N 35 117.199 120.153 -2.954 1
1 335 . 3 1 1 A 36 36 THR H H 36 7.779 7.423 0.356 1
1 336 . 3 1 1 A 36 36 THR HA H 36 4.353 4.461 -0.108 1
1 341 . 3 1 1 A 36 36 THR C C 36 175.511 174.049 1.462 1
1 342 . 3 1 1 A 36 36 THR CA C 36 62.495 60.600 1.895 1
1 343 . 3 1 1 A 36 36 THR CB C 36 69.840 68.511 1.329 1
1 345 . 3 1 1 A 36 36 THR N N 36 111.736 105.589 6.147 1
1 346 . 3 1 1 A 37 37 GLY H H 37 8.231 8.273 -0.042 1
1 347 . 3 1 1 A 37 37 GLY HA2 H 37 4.026 4.377 -0.351 1
1 348 . 3 1 1 A 37 37 GLY HA3 H 37 3.951 4.386 -0.435 1
1 349 . 3 1 1 A 37 37 GLY C C 37 174.029 174.965 -0.936 1
1 350 . 3 1 1 A 37 37 GLY CA C 37 45.277 43.737 1.540 1
1 351 . 3 1 1 A 37 37 GLY N N 37 110.634 110.310 0.324 1
1 352 . 3 1 1 A 38 38 GLU H H 38 8.089 8.867 -0.778 1
1 353 . 3 1 1 A 38 38 GLU HA H 38 4.246 4.232 0.014 1
1 358 . 3 1 1 A 38 38 GLU C C 38 176.458 175.817 0.641 1
1 359 . 3 1 1 A 38 38 GLU CA C 38 56.489 58.329 -1.840 1
1 360 . 3 1 1 A 38 38 GLU CB C 38 30.515 30.334 0.181 1
1 362 . 3 1 1 A 38 38 GLU N N 38 120.563 120.452 0.111 1
1 363 . 3 1 1 A 39 39 LYS H H 39 8.395 7.558 0.837 1
1 364 . 3 1 1 A 39 39 LYS HA H 39 4.604 4.734 -0.130 1
1 373 . 3 1 1 A 39 39 LYS C C 39 174.345 173.741 0.604 1
1 374 . 3 1 1 A 39 39 LYS CA C 39 54.144 53.047 1.097 1
1 375 . 3 1 1 A 39 39 LYS CB C 39 32.504 34.139 -1.635 1
1 379 . 3 1 1 A 39 39 LYS N N 39 123.827 118.635 5.192 1
1 380 . 3 1 1 A 40 40 PRO HA H 40 4.456 4.668 -0.212 1
1 387 . 3 1 1 A 40 40 PRO CA C 40 63.186 62.804 0.382 1
1 388 . 3 1 1 A 40 40 PRO CB C 40 32.177 32.275 -0.098 1
1 391 . 3 1 1 A 41 41 SER H H 41 8.483 8.647 -0.164 1
1 392 . 3 1 1 A 41 41 SER HA H 41 4.453 4.348 0.105 1
1 395 . 3 1 1 A 41 41 SER CA C 41 58.591 60.401 -1.810 1
1 396 . 3 1 1 A 41 41 SER CB C 41 63.944 63.265 0.679 1
1 397 . 3 1 1 A 41 41 SER N N 41 116.550 118.716 -2.166 1
1 398 . 3 1 1 A 42 42 GLY H H 42 8.230 7.304 0.926 1
1 399 . 3 1 1 A 42 42 GLY HA2 H 42 4.159 4.071 0.088 1
1 400 . 3 1 1 A 42 42 GLY HA3 H 42 4.111 4.074 0.037 1
1 401 . 3 1 1 A 42 42 GLY CA C 42 44.656 45.301 -0.645 1
1 402 . 3 1 1 A 42 42 GLY N N 42 110.653 106.089 4.564 1
1 403 . 3 1 1 A 43 43 PRO HA H 43 4.466 4.726 -0.260 1
1 410 . 3 1 1 A 43 43 PRO CA C 43 63.318 62.721 0.597 1
1 411 . 3 1 1 A 43 43 PRO CB C 43 32.206 32.252 -0.046 1
1 414 . 3 1 1 A 44 44 SER H H 44 8.485 8.843 -0.358 1
1 1 . 4 1 1 A 9 9 GLY H H 9 8.233 8.323 -0.090 1
1 2 . 4 1 1 A 9 9 GLY HA2 H 9 4.025 4.151 -0.126 1
1 3 . 4 1 1 A 9 9 GLY HA3 H 9 3.948 4.155 -0.207 1
1 4 . 4 1 1 A 9 9 GLY C C 9 174.022 172.141 1.881 1
1 5 . 4 1 1 A 9 9 GLY CA C 9 45.367 45.739 -0.372 1
1 6 . 4 1 1 A 9 9 GLY N N 9 110.543 110.266 0.277 1
1 7 . 4 1 1 A 10 10 GLU H H 10 8.175 8.481 -0.306 1
1 8 . 4 1 1 A 10 10 GLU HA H 10 4.187 4.605 -0.418 1
1 13 . 4 1 1 A 10 10 GLU C C 10 176.220 175.992 0.228 1
1 14 . 4 1 1 A 10 10 GLU CA C 10 56.730 56.723 0.007 1
1 15 . 4 1 1 A 10 10 GLU CB C 10 30.395 30.329 0.066 1
1 17 . 4 1 1 A 10 10 GLU N N 10 120.194 125.204 -5.010 1
1 18 . 4 1 1 A 11 11 LYS H H 11 8.391 8.440 -0.049 1
1 19 . 4 1 1 A 11 11 LYS HA H 11 4.528 4.887 -0.359 1
1 28 . 4 1 1 A 11 11 LYS C C 11 174.468 175.621 -1.153 1
1 29 . 4 1 1 A 11 11 LYS CA C 11 54.112 52.191 1.921 1
1 30 . 4 1 1 A 11 11 LYS CB C 11 33.635 34.041 -0.406 1
1 34 . 4 1 1 A 11 11 LYS N N 11 121.933 126.134 -4.201 1
1 35 . 4 1 1 A 12 12 PRO HA H 12 4.229 4.389 -0.160 1
1 42 . 4 1 1 A 12 12 PRO C C 12 176.420 176.100 0.320 1
1 43 . 4 1 1 A 12 12 PRO CA C 12 63.948 64.572 -0.624 1
1 44 . 4 1 1 A 12 12 PRO CB C 12 32.366 31.785 0.581 1
1 47 . 4 1 1 A 13 13 PHE H H 13 7.694 7.458 0.236 1
1 48 . 4 1 1 A 13 13 PHE HA H 13 4.700 5.003 -0.303 1
1 56 . 4 1 1 A 13 13 PHE C C 13 174.071 174.670 -0.599 1
1 57 . 4 1 1 A 13 13 PHE CA C 13 57.784 57.315 0.469 1
1 58 . 4 1 1 A 13 13 PHE CB C 13 39.605 41.129 -1.524 1
1 64 . 4 1 1 A 13 13 PHE N N 13 117.427 118.507 -1.080 1
1 65 . 4 1 1 A 14 14 LYS H H 14 8.784 8.928 -0.144 1
1 66 . 4 1 1 A 14 14 LYS HA H 14 4.976 5.245 -0.269 1
1 75 . 4 1 1 A 14 14 LYS C C 14 174.467 175.041 -0.574 1
1 76 . 4 1 1 A 14 14 LYS CA C 14 54.862 55.108 -0.246 1
1 77 . 4 1 1 A 14 14 LYS CB C 14 36.253 36.375 -0.122 1
1 81 . 4 1 1 A 14 14 LYS N N 14 125.268 122.397 2.871 1
1 82 . 4 1 1 A 15 15 CYS H H 15 9.301 9.017 0.284 1
1 83 . 4 1 1 A 15 15 CYS HA H 15 4.615 4.688 -0.073 1
1 86 . 4 1 1 A 15 15 CYS C C 15 177.056 176.014 1.042 1
1 87 . 4 1 1 A 15 15 CYS CA C 15 59.312 59.253 0.059 1
1 88 . 4 1 1 A 15 15 CYS CB C 15 29.488 28.439 1.049 1
1 89 . 4 1 1 A 15 15 CYS N N 15 128.099 125.334 2.765 1
1 90 . 4 1 1 A 16 16 GLU H H 16 9.566 8.998 0.568 1
1 91 . 4 1 1 A 16 16 GLU HA H 16 4.132 4.102 0.030 1
1 96 . 4 1 1 A 16 16 GLU C C 16 177.004 178.511 -1.507 1
1 97 . 4 1 1 A 16 16 GLU CA C 16 58.483 59.526 -1.043 1
1 98 . 4 1 1 A 16 16 GLU CB C 16 29.405 29.283 0.122 1
1 100 . 4 1 1 A 16 16 GLU N N 16 132.079 127.723 4.356 1
1 101 . 4 1 1 A 17 17 GLU H H 17 8.515 8.329 0.186 1
1 102 . 4 1 1 A 17 17 GLU HA H 17 4.166 3.952 0.214 1
1 107 . 4 1 1 A 17 17 GLU C C 17 177.263 178.048 -0.785 1
1 108 . 4 1 1 A 17 17 GLU CA C 17 58.536 58.645 -0.109 1
1 109 . 4 1 1 A 17 17 GLU CB C 17 29.369 28.441 0.928 1
1 111 . 4 1 1 A 17 17 GLU N N 17 119.982 120.187 -0.205 1
1 112 . 4 1 1 A 18 18 CYS H H 18 7.938 7.857 0.081 1
1 113 . 4 1 1 A 18 18 CYS HA H 18 5.196 4.705 0.491 1
1 116 . 4 1 1 A 18 18 CYS C C 18 176.278 175.611 0.667 1
1 117 . 4 1 1 A 18 18 CYS CA C 18 58.263 59.461 -1.198 1
1 118 . 4 1 1 A 18 18 CYS CB C 18 32.587 30.149 2.438 1
1 119 . 4 1 1 A 18 18 CYS N N 18 114.272 114.704 -0.432 1
1 120 . 4 1 1 A 19 19 GLY H H 19 8.314 8.211 0.103 1
1 121 . 4 1 1 A 19 19 GLY HA2 H 19 4.268 4.077 0.191 1
1 122 . 4 1 1 A 19 19 GLY HA3 H 19 3.673 4.089 -0.416 1
1 123 . 4 1 1 A 19 19 GLY C C 19 173.616 174.962 -1.346 1
1 124 . 4 1 1 A 19 19 GLY CA C 19 46.257 45.034 1.223 1
1 125 . 4 1 1 A 19 19 GLY N N 19 114.021 110.076 3.945 1
1 126 . 4 1 1 A 20 20 LYS H H 20 7.978 7.340 0.638 1
1 127 . 4 1 1 A 20 20 LYS HA H 20 3.931 4.249 -0.318 1
1 136 . 4 1 1 A 20 20 LYS C C 20 174.188 175.200 -1.012 1
1 137 . 4 1 1 A 20 20 LYS CA C 20 58.366 56.278 2.088 1
1 138 . 4 1 1 A 20 20 LYS CB C 20 33.708 34.153 -0.445 1
1 142 . 4 1 1 A 20 20 LYS N N 20 122.893 120.441 2.452 1
1 143 . 4 1 1 A 21 21 ARG H H 21 7.701 7.952 -0.251 1
1 144 . 4 1 1 A 21 21 ARG HA H 21 5.225 5.369 -0.144 1
1 151 . 4 1 1 A 21 21 ARG C C 21 175.407 174.394 1.013 1
1 152 . 4 1 1 A 21 21 ARG CA C 21 54.329 54.235 0.094 1
1 153 . 4 1 1 A 21 21 ARG CB C 21 33.812 34.435 -0.623 1
1 156 . 4 1 1 A 21 21 ARG N N 21 118.953 118.597 0.356 1
1 157 . 4 1 1 A 22 22 PHE H H 22 8.809 9.133 -0.324 1
1 158 . 4 1 1 A 22 22 PHE HA H 22 4.843 4.891 -0.048 1
1 166 . 4 1 1 A 22 22 PHE C C 22 175.443 175.553 -0.110 1
1 167 . 4 1 1 A 22 22 PHE CA C 22 57.033 56.928 0.105 1
1 168 . 4 1 1 A 22 22 PHE CB C 22 43.947 43.040 0.907 1
1 174 . 4 1 1 A 22 22 PHE N N 22 116.286 119.804 -3.518 1
1 175 . 4 1 1 A 23 23 THR H H 23 8.980 8.777 0.203 1
1 176 . 4 1 1 A 23 23 THR HA H 23 4.463 4.520 -0.057 1
1 181 . 4 1 1 A 23 23 THR C C 23 174.420 173.924 0.496 1
1 182 . 4 1 1 A 23 23 THR CA C 23 64.989 63.599 1.390 1
1 183 . 4 1 1 A 23 23 THR CB C 23 69.648 69.888 -0.240 1
1 185 . 4 1 1 A 23 23 THR N N 23 114.709 117.041 -2.332 1
1 186 . 4 1 1 A 24 24 GLN H H 24 7.526 7.559 -0.033 1
1 187 . 4 1 1 A 24 24 GLN HA H 24 4.809 4.170 0.639 1
1 194 . 4 1 1 A 24 24 GLN C C 24 176.247 174.962 1.285 1
1 195 . 4 1 1 A 24 24 GLN CA C 24 53.833 53.870 -0.037 1
1 196 . 4 1 1 A 24 24 GLN CB C 24 32.628 31.995 0.633 1
1 198 . 4 1 1 A 24 24 GLN N N 24 115.299 118.593 -3.294 1
1 200 . 4 1 1 A 25 25 ASN HA H 25 3.359 3.601 -0.242 1
1 205 . 4 1 1 A 25 25 ASN CA C 25 55.668 55.445 0.223 1
1 206 . 4 1 1 A 25 25 ASN CB C 25 37.930 37.139 0.791 1
1 207 . 4 1 1 A 25 25 ASN N N 25 119.000 120.538 -1.538 1
1 209 . 4 1 1 A 26 26 SER HA H 26 4.003 4.107 -0.104 1
1 212 . 4 1 1 A 26 26 SER C C 26 177.207 176.574 0.633 1
1 213 . 4 1 1 A 26 26 SER CA C 26 60.851 61.776 -0.925 1
1 214 . 4 1 1 A 26 26 SER CB C 26 61.368 62.872 -1.504 1
1 215 . 4 1 1 A 26 26 SER N N 26 118.833 115.378 3.455 1
1 216 . 4 1 1 A 27 27 GLN H H 27 6.685 7.291 -0.606 1
1 217 . 4 1 1 A 27 27 GLN HA H 27 4.060 3.851 0.209 1
1 224 . 4 1 1 A 27 27 GLN C C 27 178.447 177.645 0.802 1
1 225 . 4 1 1 A 27 27 GLN CA C 27 57.550 58.648 -1.098 1
1 226 . 4 1 1 A 27 27 GLN CB C 27 28.617 28.435 0.182 1
1 228 . 4 1 1 A 27 27 GLN N N 27 121.169 121.094 0.075 1
1 230 . 4 1 1 A 28 28 LEU H H 28 6.836 7.130 -0.294 1
1 231 . 4 1 1 A 28 28 LEU HA H 28 3.150 2.428 0.722 1
1 241 . 4 1 1 A 28 28 LEU C C 28 177.696 178.163 -0.467 1
1 242 . 4 1 1 A 28 28 LEU CA C 28 57.849 57.410 0.439 1
1 243 . 4 1 1 A 28 28 LEU CB C 28 40.265 41.536 -1.271 1
1 247 . 4 1 1 A 28 28 LEU N N 28 121.952 121.195 0.757 1
1 248 . 4 1 1 A 29 29 HIS H H 29 8.184 8.597 -0.413 1
1 249 . 4 1 1 A 29 29 HIS HA H 29 4.354 4.340 0.014 1
1 254 . 4 1 1 A 29 29 HIS C C 29 178.575 177.094 1.481 1
1 255 . 4 1 1 A 29 29 HIS CA C 29 59.335 59.336 -0.001 1
1 256 . 4 1 1 A 29 29 HIS CB C 29 30.003 29.596 0.407 1
1 259 . 4 1 1 A 29 29 HIS N N 29 118.076 117.273 0.803 1
1 260 . 4 1 1 A 30 30 SER H H 30 7.774 7.607 0.167 1
1 261 . 4 1 1 A 30 30 SER HA H 30 4.114 4.207 -0.093 1
1 264 . 4 1 1 A 30 30 SER C C 30 176.995 176.879 0.116 1
1 265 . 4 1 1 A 30 30 SER CA C 30 61.403 60.512 0.891 1
1 266 . 4 1 1 A 30 30 SER CB C 30 62.700 62.873 -0.173 1
1 267 . 4 1 1 A 30 30 SER N N 30 113.416 115.321 -1.905 1
1 268 . 4 1 1 A 31 31 HIS H H 31 7.674 7.720 -0.046 1
1 269 . 4 1 1 A 31 31 HIS HA H 31 4.244 4.215 0.029 1
1 274 . 4 1 1 A 31 31 HIS C C 31 175.921 177.261 -1.340 1
1 275 . 4 1 1 A 31 31 HIS CA C 31 58.808 59.369 -0.561 1
1 276 . 4 1 1 A 31 31 HIS CB C 31 28.456 29.984 -1.528 1
1 279 . 4 1 1 A 31 31 HIS N N 31 121.035 120.978 0.057 1
1 280 . 4 1 1 A 32 32 GLN H H 32 8.120 8.560 -0.440 1
1 281 . 4 1 1 A 32 32 GLN HA H 32 3.662 4.000 -0.338 1
1 288 . 4 1 1 A 32 32 GLN C C 32 177.273 178.548 -1.275 1
1 289 . 4 1 1 A 32 32 GLN CA C 32 59.264 58.981 0.283 1
1 290 . 4 1 1 A 32 32 GLN CB C 32 28.135 28.346 -0.211 1
1 292 . 4 1 1 A 32 32 GLN N N 32 115.343 117.932 -2.589 1
1 294 . 4 1 1 A 33 33 ARG H H 33 7.065 8.081 -1.016 1
1 295 . 4 1 1 A 33 33 ARG HA H 33 4.124 4.327 -0.203 1
1 302 . 4 1 1 A 33 33 ARG C C 33 178.476 179.076 -0.600 1
1 303 . 4 1 1 A 33 33 ARG CA C 33 58.372 59.017 -0.645 1
1 304 . 4 1 1 A 33 33 ARG CB C 33 29.919 30.045 -0.126 1
1 307 . 4 1 1 A 33 33 ARG N N 33 117.435 120.424 -2.989 1
1 308 . 4 1 1 A 34 34 VAL H H 34 7.882 7.966 -0.084 1
1 309 . 4 1 1 A 34 34 VAL HA H 34 3.899 3.673 0.226 1
1 317 . 4 1 1 A 34 34 VAL C C 34 177.238 177.604 -0.366 1
1 318 . 4 1 1 A 34 34 VAL CA C 34 63.969 65.347 -1.378 1
1 319 . 4 1 1 A 34 34 VAL CB C 34 31.000 31.181 -0.181 1
1 322 . 4 1 1 A 34 34 VAL N N 34 116.190 116.817 -0.627 1
1 323 . 4 1 1 A 35 35 HIS H H 35 7.203 7.628 -0.425 1
1 324 . 4 1 1 A 35 35 HIS HA H 35 4.877 4.387 0.490 1
1 329 . 4 1 1 A 35 35 HIS C C 35 175.781 176.175 -0.394 1
1 330 . 4 1 1 A 35 35 HIS CA C 35 55.155 59.248 -4.093 1
1 331 . 4 1 1 A 35 35 HIS CB C 35 28.648 30.552 -1.904 1
1 334 . 4 1 1 A 35 35 HIS N N 35 117.199 120.207 -3.008 1
1 335 . 4 1 1 A 36 36 THR H H 36 7.779 7.793 -0.014 1
1 336 . 4 1 1 A 36 36 THR HA H 36 4.353 4.270 0.083 1
1 341 . 4 1 1 A 36 36 THR C C 36 175.511 174.429 1.082 1
1 342 . 4 1 1 A 36 36 THR CA C 36 62.495 61.637 0.858 1
1 343 . 4 1 1 A 36 36 THR CB C 36 69.840 68.621 1.219 1
1 345 . 4 1 1 A 36 36 THR N N 36 111.736 111.772 -0.036 1
1 346 . 4 1 1 A 37 37 GLY H H 37 8.231 7.736 0.495 1
1 347 . 4 1 1 A 37 37 GLY HA2 H 37 4.026 4.050 -0.024 1
1 348 . 4 1 1 A 37 37 GLY HA3 H 37 3.951 4.059 -0.108 1
1 349 . 4 1 1 A 37 37 GLY C C 37 174.029 174.267 -0.238 1
1 350 . 4 1 1 A 37 37 GLY CA C 37 45.277 46.073 -0.796 1
1 351 . 4 1 1 A 37 37 GLY N N 37 110.634 110.839 -0.205 1
1 352 . 4 1 1 A 38 38 GLU H H 38 8.089 7.744 0.345 1
1 353 . 4 1 1 A 38 38 GLU HA H 38 4.246 4.362 -0.116 1
1 358 . 4 1 1 A 38 38 GLU C C 38 176.458 176.138 0.320 1
1 359 . 4 1 1 A 38 38 GLU CA C 38 56.489 56.458 0.031 1
1 360 . 4 1 1 A 38 38 GLU CB C 38 30.515 30.075 0.440 1
1 362 . 4 1 1 A 38 38 GLU N N 38 120.563 117.577 2.986 1
1 363 . 4 1 1 A 39 39 LYS H H 39 8.395 8.120 0.275 1
1 364 . 4 1 1 A 39 39 LYS HA H 39 4.604 4.248 0.356 1
1 373 . 4 1 1 A 39 39 LYS C C 39 174.345 175.144 -0.799 1
1 374 . 4 1 1 A 39 39 LYS CA C 39 54.144 55.201 -1.057 1
1 375 . 4 1 1 A 39 39 LYS CB C 39 32.504 33.055 -0.551 1
1 379 . 4 1 1 A 39 39 LYS N N 39 123.827 124.261 -0.434 1
1 380 . 4 1 1 A 40 40 PRO HA H 40 4.456 4.794 -0.338 1
1 387 . 4 1 1 A 40 40 PRO CA C 40 63.186 62.804 0.382 1
1 388 . 4 1 1 A 40 40 PRO CB C 40 32.177 32.491 -0.314 1
1 391 . 4 1 1 A 41 41 SER H H 41 8.483 8.458 0.025 1
1 392 . 4 1 1 A 41 41 SER HA H 41 4.453 5.001 -0.548 1
1 395 . 4 1 1 A 41 41 SER CA C 41 58.591 56.028 2.563 1
1 396 . 4 1 1 A 41 41 SER CB C 41 63.944 66.044 -2.100 1
1 397 . 4 1 1 A 41 41 SER N N 41 116.550 114.345 2.205 1
1 398 . 4 1 1 A 42 42 GLY H H 42 8.230 8.513 -0.283 1
1 399 . 4 1 1 A 42 42 GLY HA2 H 42 4.159 4.077 0.082 1
1 400 . 4 1 1 A 42 42 GLY HA3 H 42 4.111 4.078 0.033 1
1 401 . 4 1 1 A 42 42 GLY CA C 42 44.656 44.712 -0.056 1
1 402 . 4 1 1 A 42 42 GLY N N 42 110.653 110.375 0.278 1
1 403 . 4 1 1 A 43 43 PRO HA H 43 4.466 4.673 -0.207 1
1 410 . 4 1 1 A 43 43 PRO CA C 43 63.318 62.891 0.427 1
1 411 . 4 1 1 A 43 43 PRO CB C 43 32.206 31.819 0.387 1
1 414 . 4 1 1 A 44 44 SER H H 44 8.485 8.786 -0.301 1
1 1 . 5 1 1 A 9 9 GLY H H 9 8.233 9.104 -0.871 1
1 2 . 5 1 1 A 9 9 GLY HA2 H 9 4.025 4.223 -0.198 1
1 3 . 5 1 1 A 9 9 GLY HA3 H 9 3.948 4.229 -0.281 1
1 4 . 5 1 1 A 9 9 GLY C C 9 174.022 172.145 1.877 1
1 5 . 5 1 1 A 9 9 GLY CA C 9 45.367 43.933 1.434 1
1 6 . 5 1 1 A 9 9 GLY N N 9 110.543 111.035 -0.492 1
1 7 . 5 1 1 A 10 10 GLU H H 10 8.175 8.513 -0.338 1
1 8 . 5 1 1 A 10 10 GLU HA H 10 4.187 4.541 -0.354 1
1 13 . 5 1 1 A 10 10 GLU C C 10 176.220 176.107 0.113 1
1 14 . 5 1 1 A 10 10 GLU CA C 10 56.730 56.413 0.317 1
1 15 . 5 1 1 A 10 10 GLU CB C 10 30.395 30.319 0.076 1
1 17 . 5 1 1 A 10 10 GLU N N 10 120.194 120.653 -0.459 1
1 18 . 5 1 1 A 11 11 LYS H H 11 8.391 8.313 0.078 1
1 19 . 5 1 1 A 11 11 LYS HA H 11 4.528 4.904 -0.376 1
1 28 . 5 1 1 A 11 11 LYS C C 11 174.468 175.776 -1.308 1
1 29 . 5 1 1 A 11 11 LYS CA C 11 54.112 52.576 1.536 1
1 30 . 5 1 1 A 11 11 LYS CB C 11 33.635 35.012 -1.377 1
1 34 . 5 1 1 A 11 11 LYS N N 11 121.933 125.285 -3.352 1
1 35 . 5 1 1 A 12 12 PRO HA H 12 4.229 4.383 -0.154 1
1 42 . 5 1 1 A 12 12 PRO C C 12 176.420 176.060 0.360 1
1 43 . 5 1 1 A 12 12 PRO CA C 12 63.948 64.195 -0.247 1
1 44 . 5 1 1 A 12 12 PRO CB C 12 32.366 31.735 0.631 1
1 47 . 5 1 1 A 13 13 PHE H H 13 7.694 7.276 0.418 1
1 48 . 5 1 1 A 13 13 PHE HA H 13 4.700 5.207 -0.507 1
1 56 . 5 1 1 A 13 13 PHE C C 13 174.071 174.344 -0.273 1
1 57 . 5 1 1 A 13 13 PHE CA C 13 57.784 56.849 0.935 1
1 58 . 5 1 1 A 13 13 PHE CB C 13 39.605 41.849 -2.244 1
1 64 . 5 1 1 A 13 13 PHE N N 13 117.427 118.244 -0.817 1
1 65 . 5 1 1 A 14 14 LYS H H 14 8.784 8.856 -0.072 1
1 66 . 5 1 1 A 14 14 LYS HA H 14 4.976 5.300 -0.324 1
1 75 . 5 1 1 A 14 14 LYS C C 14 174.467 174.955 -0.488 1
1 76 . 5 1 1 A 14 14 LYS CA C 14 54.862 55.060 -0.198 1
1 77 . 5 1 1 A 14 14 LYS CB C 14 36.253 36.492 -0.239 1
1 81 . 5 1 1 A 14 14 LYS N N 14 125.268 122.364 2.904 1
1 82 . 5 1 1 A 15 15 CYS H H 15 9.301 9.116 0.185 1
1 83 . 5 1 1 A 15 15 CYS HA H 15 4.615 4.669 -0.054 1
1 86 . 5 1 1 A 15 15 CYS C C 15 177.056 175.910 1.146 1
1 87 . 5 1 1 A 15 15 CYS CA C 15 59.312 59.239 0.073 1
1 88 . 5 1 1 A 15 15 CYS CB C 15 29.488 28.161 1.327 1
1 89 . 5 1 1 A 15 15 CYS N N 15 128.099 125.373 2.726 1
1 90 . 5 1 1 A 16 16 GLU H H 16 9.566 8.829 0.737 1
1 91 . 5 1 1 A 16 16 GLU HA H 16 4.132 4.102 0.030 1
1 96 . 5 1 1 A 16 16 GLU C C 16 177.004 178.511 -1.507 1
1 97 . 5 1 1 A 16 16 GLU CA C 16 58.483 59.290 -0.807 1
1 98 . 5 1 1 A 16 16 GLU CB C 16 29.405 29.251 0.154 1
1 100 . 5 1 1 A 16 16 GLU N N 16 132.079 127.553 4.526 1
1 101 . 5 1 1 A 17 17 GLU H H 17 8.515 8.467 0.048 1
1 102 . 5 1 1 A 17 17 GLU HA H 17 4.166 3.921 0.245 1
1 107 . 5 1 1 A 17 17 GLU C C 17 177.263 178.124 -0.861 1
1 108 . 5 1 1 A 17 17 GLU CA C 17 58.536 58.614 -0.078 1
1 109 . 5 1 1 A 17 17 GLU CB C 17 29.369 28.357 1.012 1
1 111 . 5 1 1 A 17 17 GLU N N 17 119.982 120.147 -0.165 1
1 112 . 5 1 1 A 18 18 CYS H H 18 7.938 7.882 0.056 1
1 113 . 5 1 1 A 18 18 CYS HA H 18 5.196 4.714 0.482 1
1 116 . 5 1 1 A 18 18 CYS C C 18 176.278 175.606 0.672 1
1 117 . 5 1 1 A 18 18 CYS CA C 18 58.263 59.444 -1.181 1
1 118 . 5 1 1 A 18 18 CYS CB C 18 32.587 30.191 2.396 1
1 119 . 5 1 1 A 18 18 CYS N N 18 114.272 114.677 -0.405 1
1 120 . 5 1 1 A 19 19 GLY H H 19 8.314 8.248 0.066 1
1 121 . 5 1 1 A 19 19 GLY HA2 H 19 4.268 4.090 0.178 1
1 122 . 5 1 1 A 19 19 GLY HA3 H 19 3.673 4.100 -0.427 1
1 123 . 5 1 1 A 19 19 GLY C C 19 173.616 174.753 -1.137 1
1 124 . 5 1 1 A 19 19 GLY CA C 19 46.257 45.019 1.238 1
1 125 . 5 1 1 A 19 19 GLY N N 19 114.021 109.889 4.132 1
1 126 . 5 1 1 A 20 20 LYS H H 20 7.978 7.335 0.643 1
1 127 . 5 1 1 A 20 20 LYS HA H 20 3.931 4.268 -0.337 1
1 136 . 5 1 1 A 20 20 LYS C C 20 174.188 175.078 -0.890 1
1 137 . 5 1 1 A 20 20 LYS CA C 20 58.366 56.273 2.093 1
1 138 . 5 1 1 A 20 20 LYS CB C 20 33.708 34.183 -0.475 1
1 142 . 5 1 1 A 20 20 LYS N N 20 122.893 120.416 2.477 1
1 143 . 5 1 1 A 21 21 ARG H H 21 7.701 7.954 -0.253 1
1 144 . 5 1 1 A 21 21 ARG HA H 21 5.225 5.388 -0.163 1
1 151 . 5 1 1 A 21 21 ARG C C 21 175.407 174.426 0.981 1
1 152 . 5 1 1 A 21 21 ARG CA C 21 54.329 54.166 0.163 1
1 153 . 5 1 1 A 21 21 ARG CB C 21 33.812 34.640 -0.828 1
1 156 . 5 1 1 A 21 21 ARG N N 21 118.953 118.613 0.340 1
1 157 . 5 1 1 A 22 22 PHE H H 22 8.809 8.875 -0.066 1
1 158 . 5 1 1 A 22 22 PHE HA H 22 4.843 4.927 -0.084 1
1 166 . 5 1 1 A 22 22 PHE C C 22 175.443 175.552 -0.109 1
1 167 . 5 1 1 A 22 22 PHE CA C 22 57.033 56.891 0.142 1
1 168 . 5 1 1 A 22 22 PHE CB C 22 43.947 42.959 0.988 1
1 174 . 5 1 1 A 22 22 PHE N N 22 116.286 119.599 -3.313 1
1 175 . 5 1 1 A 23 23 THR H H 23 8.980 8.752 0.228 1
1 176 . 5 1 1 A 23 23 THR HA H 23 4.463 4.494 -0.031 1
1 181 . 5 1 1 A 23 23 THR C C 23 174.420 174.150 0.270 1
1 182 . 5 1 1 A 23 23 THR CA C 23 64.989 63.600 1.389 1
1 183 . 5 1 1 A 23 23 THR CB C 23 69.648 69.871 -0.223 1
1 185 . 5 1 1 A 23 23 THR N N 23 114.709 117.095 -2.386 1
1 186 . 5 1 1 A 24 24 GLN H H 24 7.526 7.678 -0.152 1
1 187 . 5 1 1 A 24 24 GLN HA H 24 4.809 4.398 0.411 1
1 194 . 5 1 1 A 24 24 GLN C C 24 176.247 175.255 0.992 1
1 195 . 5 1 1 A 24 24 GLN CA C 24 53.833 54.205 -0.372 1
1 196 . 5 1 1 A 24 24 GLN CB C 24 32.628 32.095 0.533 1
1 198 . 5 1 1 A 24 24 GLN N N 24 115.299 118.625 -3.326 1
1 200 . 5 1 1 A 25 25 ASN HA H 25 3.359 3.591 -0.232 1
1 205 . 5 1 1 A 25 25 ASN CA C 25 55.668 55.449 0.219 1
1 206 . 5 1 1 A 25 25 ASN CB C 25 37.930 36.991 0.939 1
1 207 . 5 1 1 A 25 25 ASN N N 25 119.000 119.734 -0.734 1
1 209 . 5 1 1 A 26 26 SER HA H 26 4.003 3.922 0.081 1
1 212 . 5 1 1 A 26 26 SER C C 26 177.207 176.908 0.299 1
1 213 . 5 1 1 A 26 26 SER CA C 26 60.851 61.207 -0.356 1
1 214 . 5 1 1 A 26 26 SER CB C 26 61.368 62.895 -1.527 1
1 215 . 5 1 1 A 26 26 SER N N 26 118.833 114.203 4.630 1
1 216 . 5 1 1 A 27 27 GLN H H 27 6.685 7.513 -0.828 1
1 217 . 5 1 1 A 27 27 GLN HA H 27 4.060 3.892 0.168 1
1 224 . 5 1 1 A 27 27 GLN C C 27 178.447 177.667 0.780 1
1 225 . 5 1 1 A 27 27 GLN CA C 27 57.550 58.673 -1.123 1
1 226 . 5 1 1 A 27 27 GLN CB C 27 28.617 28.354 0.263 1
1 228 . 5 1 1 A 27 27 GLN N N 27 121.169 121.513 -0.344 1
1 230 . 5 1 1 A 28 28 LEU H H 28 6.836 7.240 -0.404 1
1 231 . 5 1 1 A 28 28 LEU HA H 28 3.150 2.369 0.781 1
1 241 . 5 1 1 A 28 28 LEU C C 28 177.696 178.235 -0.539 1
1 242 . 5 1 1 A 28 28 LEU CA C 28 57.849 57.488 0.361 1
1 243 . 5 1 1 A 28 28 LEU CB C 28 40.265 41.622 -1.357 1
1 247 . 5 1 1 A 28 28 LEU N N 28 121.952 121.075 0.877 1
1 248 . 5 1 1 A 29 29 HIS H H 29 8.184 8.796 -0.612 1
1 249 . 5 1 1 A 29 29 HIS HA H 29 4.354 4.337 0.017 1
1 254 . 5 1 1 A 29 29 HIS C C 29 178.575 177.236 1.339 1
1 255 . 5 1 1 A 29 29 HIS CA C 29 59.335 59.306 0.029 1
1 256 . 5 1 1 A 29 29 HIS CB C 29 30.003 29.505 0.498 1
1 259 . 5 1 1 A 29 29 HIS N N 29 118.076 117.198 0.878 1
1 260 . 5 1 1 A 30 30 SER H H 30 7.774 7.642 0.132 1
1 261 . 5 1 1 A 30 30 SER HA H 30 4.114 4.163 -0.049 1
1 264 . 5 1 1 A 30 30 SER C C 30 176.995 176.880 0.115 1
1 265 . 5 1 1 A 30 30 SER CA C 30 61.403 60.578 0.825 1
1 266 . 5 1 1 A 30 30 SER CB C 30 62.700 62.955 -0.255 1
1 267 . 5 1 1 A 30 30 SER N N 30 113.416 115.140 -1.724 1
1 268 . 5 1 1 A 31 31 HIS H H 31 7.674 7.702 -0.028 1
1 269 . 5 1 1 A 31 31 HIS HA H 31 4.244 4.235 0.009 1
1 274 . 5 1 1 A 31 31 HIS C C 31 175.921 177.282 -1.361 1
1 275 . 5 1 1 A 31 31 HIS CA C 31 58.808 59.362 -0.554 1
1 276 . 5 1 1 A 31 31 HIS CB C 31 28.456 30.163 -1.707 1
1 279 . 5 1 1 A 31 31 HIS N N 31 121.035 120.892 0.143 1
1 280 . 5 1 1 A 32 32 GLN H H 32 8.120 8.673 -0.553 1
1 281 . 5 1 1 A 32 32 GLN HA H 32 3.662 4.262 -0.600 1
1 288 . 5 1 1 A 32 32 GLN C C 32 177.273 178.578 -1.305 1
1 289 . 5 1 1 A 32 32 GLN CA C 32 59.264 59.050 0.214 1
1 290 . 5 1 1 A 32 32 GLN CB C 32 28.135 28.192 -0.057 1
1 292 . 5 1 1 A 32 32 GLN N N 32 115.343 118.392 -3.049 1
1 294 . 5 1 1 A 33 33 ARG H H 33 7.065 8.036 -0.971 1
1 295 . 5 1 1 A 33 33 ARG HA H 33 4.124 4.206 -0.082 1
1 302 . 5 1 1 A 33 33 ARG C C 33 178.476 179.000 -0.524 1
1 303 . 5 1 1 A 33 33 ARG CA C 33 58.372 58.921 -0.549 1
1 304 . 5 1 1 A 33 33 ARG CB C 33 29.919 29.851 0.068 1
1 307 . 5 1 1 A 33 33 ARG N N 33 117.435 120.182 -2.747 1
1 308 . 5 1 1 A 34 34 VAL H H 34 7.882 7.907 -0.025 1
1 309 . 5 1 1 A 34 34 VAL HA H 34 3.899 3.709 0.190 1
1 317 . 5 1 1 A 34 34 VAL C C 34 177.238 177.347 -0.109 1
1 318 . 5 1 1 A 34 34 VAL CA C 34 63.969 65.253 -1.284 1
1 319 . 5 1 1 A 34 34 VAL CB C 34 31.000 31.174 -0.174 1
1 322 . 5 1 1 A 34 34 VAL N N 34 116.190 116.393 -0.203 1
1 323 . 5 1 1 A 35 35 HIS H H 35 7.203 7.834 -0.631 1
1 324 . 5 1 1 A 35 35 HIS HA H 35 4.877 4.350 0.527 1
1 329 . 5 1 1 A 35 35 HIS C C 35 175.781 176.895 -1.114 1
1 330 . 5 1 1 A 35 35 HIS CA C 35 55.155 58.815 -3.660 1
1 331 . 5 1 1 A 35 35 HIS CB C 35 28.648 30.128 -1.480 1
1 334 . 5 1 1 A 35 35 HIS N N 35 117.199 120.239 -3.040 1
1 335 . 5 1 1 A 36 36 THR H H 36 7.779 7.943 -0.164 1
1 336 . 5 1 1 A 36 36 THR HA H 36 4.353 4.028 0.325 1
1 341 . 5 1 1 A 36 36 THR C C 36 175.511 177.431 -1.920 1
1 342 . 5 1 1 A 36 36 THR CA C 36 62.495 65.186 -2.691 1
1 343 . 5 1 1 A 36 36 THR CB C 36 69.840 68.316 1.524 1
1 345 . 5 1 1 A 36 36 THR N N 36 111.736 111.657 0.079 1
1 346 . 5 1 1 A 37 37 GLY H H 37 8.231 8.212 0.019 1
1 347 . 5 1 1 A 37 37 GLY HA2 H 37 4.026 3.903 0.123 1
1 348 . 5 1 1 A 37 37 GLY HA3 H 37 3.951 3.913 0.038 1
1 349 . 5 1 1 A 37 37 GLY C C 37 174.029 174.481 -0.452 1
1 350 . 5 1 1 A 37 37 GLY CA C 37 45.277 47.200 -1.923 1
1 351 . 5 1 1 A 37 37 GLY N N 37 110.634 109.302 1.332 1
1 352 . 5 1 1 A 38 38 GLU H H 38 8.089 7.632 0.457 1
1 353 . 5 1 1 A 38 38 GLU HA H 38 4.246 4.530 -0.284 1
1 358 . 5 1 1 A 38 38 GLU C C 38 176.458 174.603 1.855 1
1 359 . 5 1 1 A 38 38 GLU CA C 38 56.489 55.165 1.324 1
1 360 . 5 1 1 A 38 38 GLU CB C 38 30.515 30.256 0.259 1
1 362 . 5 1 1 A 38 38 GLU N N 38 120.563 118.128 2.435 1
1 363 . 5 1 1 A 39 39 LYS H H 39 8.395 8.436 -0.041 1
1 364 . 5 1 1 A 39 39 LYS HA H 39 4.604 4.331 0.273 1
1 373 . 5 1 1 A 39 39 LYS C C 39 174.345 175.933 -1.588 1
1 374 . 5 1 1 A 39 39 LYS CA C 39 54.144 55.431 -1.287 1
1 375 . 5 1 1 A 39 39 LYS CB C 39 32.504 32.396 0.108 1
1 379 . 5 1 1 A 39 39 LYS N N 39 123.827 123.765 0.062 1
1 380 . 5 1 1 A 40 40 PRO HA H 40 4.456 4.583 -0.127 1
1 387 . 5 1 1 A 40 40 PRO CA C 40 63.186 62.823 0.363 1
1 388 . 5 1 1 A 40 40 PRO CB C 40 32.177 32.083 0.094 1
1 391 . 5 1 1 A 41 41 SER H H 41 8.483 8.513 -0.030 1
1 392 . 5 1 1 A 41 41 SER HA H 41 4.453 4.283 0.170 1
1 395 . 5 1 1 A 41 41 SER CA C 41 58.591 59.943 -1.352 1
1 396 . 5 1 1 A 41 41 SER CB C 41 63.944 63.618 0.326 1
1 397 . 5 1 1 A 41 41 SER N N 41 116.550 119.113 -2.563 1
1 398 . 5 1 1 A 42 42 GLY H H 42 8.230 8.558 -0.328 1
1 399 . 5 1 1 A 42 42 GLY HA2 H 42 4.159 4.183 -0.024 1
1 400 . 5 1 1 A 42 42 GLY HA3 H 42 4.111 4.185 -0.074 1
1 401 . 5 1 1 A 42 42 GLY CA C 42 44.656 44.733 -0.077 1
1 402 . 5 1 1 A 42 42 GLY N N 42 110.653 112.215 -1.562 1
1 403 . 5 1 1 A 43 43 PRO HA H 43 4.466 4.673 -0.207 1
1 410 . 5 1 1 A 43 43 PRO CA C 43 63.318 62.389 0.929 1
1 411 . 5 1 1 A 43 43 PRO CB C 43 32.206 30.125 2.081 1
1 414 . 5 1 1 A 44 44 SER H H 44 8.485 8.320 0.165 1
1 1 . 6 1 1 A 9 9 GLY H H 9 8.233 8.366 -0.133 1
1 2 . 6 1 1 A 9 9 GLY HA2 H 9 4.025 4.120 -0.095 1
1 3 . 6 1 1 A 9 9 GLY HA3 H 9 3.948 4.126 -0.178 1
1 4 . 6 1 1 A 9 9 GLY C C 9 174.022 174.412 -0.390 1
1 5 . 6 1 1 A 9 9 GLY CA C 9 45.367 45.602 -0.235 1
1 6 . 6 1 1 A 9 9 GLY N N 9 110.543 115.013 -4.470 1
1 7 . 6 1 1 A 10 10 GLU H H 10 8.175 7.627 0.548 1
1 8 . 6 1 1 A 10 10 GLU HA H 10 4.187 4.230 -0.043 1
1 13 . 6 1 1 A 10 10 GLU C C 10 176.220 175.789 0.431 1
1 14 . 6 1 1 A 10 10 GLU CA C 10 56.730 56.826 -0.096 1
1 15 . 6 1 1 A 10 10 GLU CB C 10 30.395 30.236 0.159 1
1 17 . 6 1 1 A 10 10 GLU N N 10 120.194 121.643 -1.449 1
1 18 . 6 1 1 A 11 11 LYS H H 11 8.391 8.490 -0.099 1
1 19 . 6 1 1 A 11 11 LYS HA H 11 4.528 4.953 -0.425 1
1 28 . 6 1 1 A 11 11 LYS C C 11 174.468 175.481 -1.013 1
1 29 . 6 1 1 A 11 11 LYS CA C 11 54.112 52.600 1.512 1
1 30 . 6 1 1 A 11 11 LYS CB C 11 33.635 34.494 -0.859 1
1 34 . 6 1 1 A 11 11 LYS N N 11 121.933 126.689 -4.756 1
1 35 . 6 1 1 A 12 12 PRO HA H 12 4.229 4.413 -0.184 1
1 42 . 6 1 1 A 12 12 PRO C C 12 176.420 176.036 0.384 1
1 43 . 6 1 1 A 12 12 PRO CA C 12 63.948 64.175 -0.227 1
1 44 . 6 1 1 A 12 12 PRO CB C 12 32.366 31.420 0.946 1
1 47 . 6 1 1 A 13 13 PHE H H 13 7.694 7.181 0.513 1
1 48 . 6 1 1 A 13 13 PHE HA H 13 4.700 5.189 -0.489 1
1 56 . 6 1 1 A 13 13 PHE C C 13 174.071 174.273 -0.202 1
1 57 . 6 1 1 A 13 13 PHE CA C 13 57.784 56.841 0.943 1
1 58 . 6 1 1 A 13 13 PHE CB C 13 39.605 41.437 -1.832 1
1 64 . 6 1 1 A 13 13 PHE N N 13 117.427 118.386 -0.959 1
1 65 . 6 1 1 A 14 14 LYS H H 14 8.784 8.944 -0.160 1
1 66 . 6 1 1 A 14 14 LYS HA H 14 4.976 5.446 -0.470 1
1 75 . 6 1 1 A 14 14 LYS C C 14 174.467 175.092 -0.625 1
1 76 . 6 1 1 A 14 14 LYS CA C 14 54.862 54.828 0.034 1
1 77 . 6 1 1 A 14 14 LYS CB C 14 36.253 36.627 -0.374 1
1 81 . 6 1 1 A 14 14 LYS N N 14 125.268 123.008 2.260 1
1 82 . 6 1 1 A 15 15 CYS H H 15 9.301 9.204 0.097 1
1 83 . 6 1 1 A 15 15 CYS HA H 15 4.615 4.614 0.001 1
1 86 . 6 1 1 A 15 15 CYS C C 15 177.056 175.974 1.082 1
1 87 . 6 1 1 A 15 15 CYS CA C 15 59.312 59.239 0.073 1
1 88 . 6 1 1 A 15 15 CYS CB C 15 29.488 28.277 1.211 1
1 89 . 6 1 1 A 15 15 CYS N N 15 128.099 125.381 2.718 1
1 90 . 6 1 1 A 16 16 GLU H H 16 9.566 8.869 0.697 1
1 91 . 6 1 1 A 16 16 GLU HA H 16 4.132 4.082 0.050 1
1 96 . 6 1 1 A 16 16 GLU C C 16 177.004 178.495 -1.491 1
1 97 . 6 1 1 A 16 16 GLU CA C 16 58.483 59.366 -0.883 1
1 98 . 6 1 1 A 16 16 GLU CB C 16 29.405 29.201 0.204 1
1 100 . 6 1 1 A 16 16 GLU N N 16 132.079 127.629 4.450 1
1 101 . 6 1 1 A 17 17 GLU H H 17 8.515 8.390 0.125 1
1 102 . 6 1 1 A 17 17 GLU HA H 17 4.166 3.921 0.245 1
1 107 . 6 1 1 A 17 17 GLU C C 17 177.263 178.195 -0.932 1
1 108 . 6 1 1 A 17 17 GLU CA C 17 58.536 58.575 -0.039 1
1 109 . 6 1 1 A 17 17 GLU CB C 17 29.369 28.304 1.065 1
1 111 . 6 1 1 A 17 17 GLU N N 17 119.982 120.140 -0.158 1
1 112 . 6 1 1 A 18 18 CYS H H 18 7.938 7.816 0.122 1
1 113 . 6 1 1 A 18 18 CYS HA H 18 5.196 4.705 0.491 1
1 116 . 6 1 1 A 18 18 CYS C C 18 176.278 175.595 0.683 1
1 117 . 6 1 1 A 18 18 CYS CA C 18 58.263 59.346 -1.083 1
1 118 . 6 1 1 A 18 18 CYS CB C 18 32.587 30.176 2.411 1
1 119 . 6 1 1 A 18 18 CYS N N 18 114.272 114.532 -0.260 1
1 120 . 6 1 1 A 19 19 GLY H H 19 8.314 8.281 0.033 1
1 121 . 6 1 1 A 19 19 GLY HA2 H 19 4.268 4.083 0.185 1
1 122 . 6 1 1 A 19 19 GLY HA3 H 19 3.673 4.091 -0.418 1
1 123 . 6 1 1 A 19 19 GLY C C 19 173.616 174.753 -1.137 1
1 124 . 6 1 1 A 19 19 GLY CA C 19 46.257 45.011 1.246 1
1 125 . 6 1 1 A 19 19 GLY N N 19 114.021 109.882 4.139 1
1 126 . 6 1 1 A 20 20 LYS H H 20 7.978 7.350 0.628 1
1 127 . 6 1 1 A 20 20 LYS HA H 20 3.931 4.282 -0.351 1
1 136 . 6 1 1 A 20 20 LYS C C 20 174.188 175.249 -1.061 1
1 137 . 6 1 1 A 20 20 LYS CA C 20 58.366 56.294 2.072 1
1 138 . 6 1 1 A 20 20 LYS CB C 20 33.708 34.202 -0.494 1
1 142 . 6 1 1 A 20 20 LYS N N 20 122.893 120.338 2.555 1
1 143 . 6 1 1 A 21 21 ARG H H 21 7.701 8.025 -0.324 1
1 144 . 6 1 1 A 21 21 ARG HA H 21 5.225 5.495 -0.270 1
1 151 . 6 1 1 A 21 21 ARG C C 21 175.407 174.472 0.935 1
1 152 . 6 1 1 A 21 21 ARG CA C 21 54.329 54.337 -0.008 1
1 153 . 6 1 1 A 21 21 ARG CB C 21 33.812 34.683 -0.871 1
1 156 . 6 1 1 A 21 21 ARG N N 21 118.953 118.676 0.277 1
1 157 . 6 1 1 A 22 22 PHE H H 22 8.809 9.059 -0.250 1
1 158 . 6 1 1 A 22 22 PHE HA H 22 4.843 4.923 -0.080 1
1 166 . 6 1 1 A 22 22 PHE C C 22 175.443 175.614 -0.171 1
1 167 . 6 1 1 A 22 22 PHE CA C 22 57.033 56.816 0.217 1
1 168 . 6 1 1 A 22 22 PHE CB C 22 43.947 43.319 0.628 1
1 174 . 6 1 1 A 22 22 PHE N N 22 116.286 119.820 -3.534 1
1 175 . 6 1 1 A 23 23 THR H H 23 8.980 8.825 0.155 1
1 176 . 6 1 1 A 23 23 THR HA H 23 4.463 4.535 -0.072 1
1 181 . 6 1 1 A 23 23 THR C C 23 174.420 173.971 0.449 1
1 182 . 6 1 1 A 23 23 THR CA C 23 64.989 63.667 1.322 1
1 183 . 6 1 1 A 23 23 THR CB C 23 69.648 69.904 -0.256 1
1 185 . 6 1 1 A 23 23 THR N N 23 114.709 116.997 -2.288 1
1 186 . 6 1 1 A 24 24 GLN H H 24 7.526 7.616 -0.090 1
1 187 . 6 1 1 A 24 24 GLN HA H 24 4.809 4.324 0.485 1
1 194 . 6 1 1 A 24 24 GLN C C 24 176.247 175.377 0.870 1
1 195 . 6 1 1 A 24 24 GLN CA C 24 53.833 54.276 -0.443 1
1 196 . 6 1 1 A 24 24 GLN CB C 24 32.628 31.912 0.716 1
1 198 . 6 1 1 A 24 24 GLN N N 24 115.299 118.356 -3.057 1
1 200 . 6 1 1 A 25 25 ASN HA H 25 3.359 3.920 -0.561 1
1 205 . 6 1 1 A 25 25 ASN CA C 25 55.668 55.727 -0.059 1
1 206 . 6 1 1 A 25 25 ASN CB C 25 37.930 37.336 0.594 1
1 207 . 6 1 1 A 25 25 ASN N N 25 119.000 120.282 -1.282 1
1 209 . 6 1 1 A 26 26 SER HA H 26 4.003 4.006 -0.003 1
1 212 . 6 1 1 A 26 26 SER C C 26 177.207 176.989 0.218 1
1 213 . 6 1 1 A 26 26 SER CA C 26 60.851 61.106 -0.255 1
1 214 . 6 1 1 A 26 26 SER CB C 26 61.368 62.947 -1.579 1
1 215 . 6 1 1 A 26 26 SER N N 26 118.833 114.014 4.819 1
1 216 . 6 1 1 A 27 27 GLN H H 27 6.685 7.519 -0.834 1
1 217 . 6 1 1 A 27 27 GLN HA H 27 4.060 3.974 0.086 1
1 224 . 6 1 1 A 27 27 GLN C C 27 178.447 177.677 0.770 1
1 225 . 6 1 1 A 27 27 GLN CA C 27 57.550 58.695 -1.145 1
1 226 . 6 1 1 A 27 27 GLN CB C 27 28.617 28.491 0.126 1
1 228 . 6 1 1 A 27 27 GLN N N 27 121.169 121.571 -0.402 1
1 230 . 6 1 1 A 28 28 LEU H H 28 6.836 7.217 -0.381 1
1 231 . 6 1 1 A 28 28 LEU HA H 28 3.150 2.393 0.757 1
1 241 . 6 1 1 A 28 28 LEU C C 28 177.696 178.104 -0.408 1
1 242 . 6 1 1 A 28 28 LEU CA C 28 57.849 57.455 0.394 1
1 243 . 6 1 1 A 28 28 LEU CB C 28 40.265 41.684 -1.419 1
1 247 . 6 1 1 A 28 28 LEU N N 28 121.952 121.107 0.845 1
1 248 . 6 1 1 A 29 29 HIS H H 29 8.184 8.956 -0.772 1
1 249 . 6 1 1 A 29 29 HIS HA H 29 4.354 4.265 0.089 1
1 254 . 6 1 1 A 29 29 HIS C C 29 178.575 177.135 1.440 1
1 255 . 6 1 1 A 29 29 HIS CA C 29 59.335 59.222 0.113 1
1 256 . 6 1 1 A 29 29 HIS CB C 29 30.003 29.729 0.274 1
1 259 . 6 1 1 A 29 29 HIS N N 29 118.076 117.109 0.967 1
1 260 . 6 1 1 A 30 30 SER H H 30 7.774 7.561 0.213 1
1 261 . 6 1 1 A 30 30 SER HA H 30 4.114 4.200 -0.086 1
1 264 . 6 1 1 A 30 30 SER C C 30 176.995 176.881 0.114 1
1 265 . 6 1 1 A 30 30 SER CA C 30 61.403 60.634 0.769 1
1 266 . 6 1 1 A 30 30 SER CB C 30 62.700 62.879 -0.179 1
1 267 . 6 1 1 A 30 30 SER N N 30 113.416 115.137 -1.721 1
1 268 . 6 1 1 A 31 31 HIS H H 31 7.674 7.623 0.051 1
1 269 . 6 1 1 A 31 31 HIS HA H 31 4.244 4.219 0.025 1
1 274 . 6 1 1 A 31 31 HIS C C 31 175.921 177.295 -1.374 1
1 275 . 6 1 1 A 31 31 HIS CA C 31 58.808 59.355 -0.547 1
1 276 . 6 1 1 A 31 31 HIS CB C 31 28.456 30.078 -1.622 1
1 279 . 6 1 1 A 31 31 HIS N N 31 121.035 120.965 0.070 1
1 280 . 6 1 1 A 32 32 GLN H H 32 8.120 8.526 -0.406 1
1 281 . 6 1 1 A 32 32 GLN HA H 32 3.662 4.158 -0.496 1
1 288 . 6 1 1 A 32 32 GLN C C 32 177.273 178.678 -1.405 1
1 289 . 6 1 1 A 32 32 GLN CA C 32 59.264 58.951 0.313 1
1 290 . 6 1 1 A 32 32 GLN CB C 32 28.135 28.148 -0.013 1
1 292 . 6 1 1 A 32 32 GLN N N 32 115.343 118.078 -2.735 1
1 294 . 6 1 1 A 33 33 ARG H H 33 7.065 7.867 -0.802 1
1 295 . 6 1 1 A 33 33 ARG HA H 33 4.124 4.197 -0.073 1
1 302 . 6 1 1 A 33 33 ARG C C 33 178.476 179.133 -0.657 1
1 303 . 6 1 1 A 33 33 ARG CA C 33 58.372 58.809 -0.437 1
1 304 . 6 1 1 A 33 33 ARG CB C 33 29.919 29.724 0.195 1
1 307 . 6 1 1 A 33 33 ARG N N 33 117.435 119.883 -2.448 1
1 308 . 6 1 1 A 34 34 VAL H H 34 7.882 7.913 -0.031 1
1 309 . 6 1 1 A 34 34 VAL HA H 34 3.899 3.721 0.178 1
1 317 . 6 1 1 A 34 34 VAL C C 34 177.238 177.255 -0.017 1
1 318 . 6 1 1 A 34 34 VAL CA C 34 63.969 65.178 -1.209 1
1 319 . 6 1 1 A 34 34 VAL CB C 34 31.000 31.265 -0.265 1
1 322 . 6 1 1 A 34 34 VAL N N 34 116.190 116.952 -0.762 1
1 323 . 6 1 1 A 35 35 HIS H H 35 7.203 7.551 -0.348 1
1 324 . 6 1 1 A 35 35 HIS HA H 35 4.877 4.380 0.497 1
1 329 . 6 1 1 A 35 35 HIS C C 35 175.781 177.296 -1.515 1
1 330 . 6 1 1 A 35 35 HIS CA C 35 55.155 58.530 -3.375 1
1 331 . 6 1 1 A 35 35 HIS CB C 35 28.648 30.507 -1.859 1
1 334 . 6 1 1 A 35 35 HIS N N 35 117.199 119.990 -2.791 1
1 335 . 6 1 1 A 36 36 THR H H 36 7.779 7.526 0.253 1
1 336 . 6 1 1 A 36 36 THR HA H 36 4.353 4.070 0.283 1
1 341 . 6 1 1 A 36 36 THR C C 36 175.511 175.811 -0.300 1
1 342 . 6 1 1 A 36 36 THR CA C 36 62.495 64.654 -2.159 1
1 343 . 6 1 1 A 36 36 THR CB C 36 69.840 68.803 1.037 1
1 345 . 6 1 1 A 36 36 THR N N 36 111.736 112.148 -0.412 1
1 346 . 6 1 1 A 37 37 GLY H H 37 8.231 8.152 0.079 1
1 347 . 6 1 1 A 37 37 GLY HA2 H 37 4.026 4.015 0.011 1
1 348 . 6 1 1 A 37 37 GLY HA3 H 37 3.951 4.021 -0.070 1
1 349 . 6 1 1 A 37 37 GLY C C 37 174.029 173.036 0.993 1
1 350 . 6 1 1 A 37 37 GLY CA C 37 45.277 46.310 -1.033 1
1 351 . 6 1 1 A 37 37 GLY N N 37 110.634 108.006 2.628 1
1 352 . 6 1 1 A 38 38 GLU H H 38 8.089 8.619 -0.530 1
1 353 . 6 1 1 A 38 38 GLU HA H 38 4.246 4.869 -0.623 1
1 358 . 6 1 1 A 38 38 GLU C C 38 176.458 175.767 0.691 1
1 359 . 6 1 1 A 38 38 GLU CA C 38 56.489 55.775 0.714 1
1 360 . 6 1 1 A 38 38 GLU CB C 38 30.515 31.060 -0.545 1
1 362 . 6 1 1 A 38 38 GLU N N 38 120.563 124.074 -3.511 1
1 363 . 6 1 1 A 39 39 LYS H H 39 8.395 8.783 -0.388 1
1 364 . 6 1 1 A 39 39 LYS HA H 39 4.604 4.869 -0.265 1
1 373 . 6 1 1 A 39 39 LYS C C 39 174.345 173.995 0.350 1
1 374 . 6 1 1 A 39 39 LYS CA C 39 54.144 52.907 1.237 1
1 375 . 6 1 1 A 39 39 LYS CB C 39 32.504 35.185 -2.681 1
1 379 . 6 1 1 A 39 39 LYS N N 39 123.827 126.029 -2.202 1
1 380 . 6 1 1 A 40 40 PRO HA H 40 4.456 4.673 -0.217 1
1 387 . 6 1 1 A 40 40 PRO CA C 40 63.186 62.735 0.451 1
1 388 . 6 1 1 A 40 40 PRO CB C 40 32.177 31.782 0.395 1
1 391 . 6 1 1 A 41 41 SER H H 41 8.483 8.705 -0.222 1
1 392 . 6 1 1 A 41 41 SER HA H 41 4.453 4.738 -0.285 1
1 395 . 6 1 1 A 41 41 SER CA C 41 58.591 57.075 1.516 1
1 396 . 6 1 1 A 41 41 SER CB C 41 63.944 64.204 -0.260 1
1 397 . 6 1 1 A 41 41 SER N N 41 116.550 118.259 -1.709 1
1 398 . 6 1 1 A 42 42 GLY H H 42 8.230 8.189 0.041 1
1 399 . 6 1 1 A 42 42 GLY HA2 H 42 4.159 4.142 0.017 1
1 400 . 6 1 1 A 42 42 GLY HA3 H 42 4.111 4.142 -0.031 1
1 401 . 6 1 1 A 42 42 GLY CA C 42 44.656 44.251 0.405 1
1 402 . 6 1 1 A 42 42 GLY N N 42 110.653 109.584 1.069 1
1 403 . 6 1 1 A 43 43 PRO HA H 43 4.466 4.574 -0.108 1
1 410 . 6 1 1 A 43 43 PRO CA C 43 63.318 62.599 0.719 1
1 411 . 6 1 1 A 43 43 PRO CB C 43 32.206 32.815 -0.609 1
1 414 . 6 1 1 A 44 44 SER H H 44 8.485 8.289 0.196 1
1 1 . 7 1 1 A 9 9 GLY H H 9 8.233 8.021 0.212 1
1 2 . 7 1 1 A 9 9 GLY HA2 H 9 4.025 3.823 0.202 1
1 3 . 7 1 1 A 9 9 GLY HA3 H 9 3.948 3.823 0.125 1
1 4 . 7 1 1 A 9 9 GLY C C 9 174.022 174.191 -0.169 1
1 5 . 7 1 1 A 9 9 GLY CA C 9 45.367 46.122 -0.755 1
1 6 . 7 1 1 A 9 9 GLY N N 9 110.543 107.914 2.629 1
1 7 . 7 1 1 A 10 10 GLU H H 10 8.175 8.518 -0.343 1
1 8 . 7 1 1 A 10 10 GLU HA H 10 4.187 4.360 -0.173 1
1 13 . 7 1 1 A 10 10 GLU C C 10 176.220 176.647 -0.427 1
1 14 . 7 1 1 A 10 10 GLU CA C 10 56.730 57.333 -0.603 1
1 15 . 7 1 1 A 10 10 GLU CB C 10 30.395 30.124 0.271 1
1 17 . 7 1 1 A 10 10 GLU N N 10 120.194 123.774 -3.580 1
1 18 . 7 1 1 A 11 11 LYS H H 11 8.391 8.228 0.163 1
1 19 . 7 1 1 A 11 11 LYS HA H 11 4.528 4.958 -0.430 1
1 28 . 7 1 1 A 11 11 LYS C C 11 174.468 175.531 -1.063 1
1 29 . 7 1 1 A 11 11 LYS CA C 11 54.112 52.376 1.736 1
1 30 . 7 1 1 A 11 11 LYS CB C 11 33.635 34.424 -0.789 1
1 34 . 7 1 1 A 11 11 LYS N N 11 121.933 124.024 -2.091 1
1 35 . 7 1 1 A 12 12 PRO HA H 12 4.229 4.407 -0.178 1
1 42 . 7 1 1 A 12 12 PRO C C 12 176.420 176.139 0.281 1
1 43 . 7 1 1 A 12 12 PRO CA C 12 63.948 64.651 -0.703 1
1 44 . 7 1 1 A 12 12 PRO CB C 12 32.366 31.848 0.518 1
1 47 . 7 1 1 A 13 13 PHE H H 13 7.694 7.429 0.265 1
1 48 . 7 1 1 A 13 13 PHE HA H 13 4.700 5.042 -0.342 1
1 56 . 7 1 1 A 13 13 PHE C C 13 174.071 174.800 -0.729 1
1 57 . 7 1 1 A 13 13 PHE CA C 13 57.784 57.413 0.371 1
1 58 . 7 1 1 A 13 13 PHE CB C 13 39.605 41.292 -1.687 1
1 64 . 7 1 1 A 13 13 PHE N N 13 117.427 118.539 -1.112 1
1 65 . 7 1 1 A 14 14 LYS H H 14 8.784 8.893 -0.109 1
1 66 . 7 1 1 A 14 14 LYS HA H 14 4.976 5.266 -0.290 1
1 75 . 7 1 1 A 14 14 LYS C C 14 174.467 174.884 -0.417 1
1 76 . 7 1 1 A 14 14 LYS CA C 14 54.862 55.193 -0.331 1
1 77 . 7 1 1 A 14 14 LYS CB C 14 36.253 36.413 -0.160 1
1 81 . 7 1 1 A 14 14 LYS N N 14 125.268 121.757 3.511 1
1 82 . 7 1 1 A 15 15 CYS H H 15 9.301 9.107 0.194 1
1 83 . 7 1 1 A 15 15 CYS HA H 15 4.615 4.594 0.021 1
1 86 . 7 1 1 A 15 15 CYS C C 15 177.056 175.749 1.307 1
1 87 . 7 1 1 A 15 15 CYS CA C 15 59.312 59.026 0.286 1
1 88 . 7 1 1 A 15 15 CYS CB C 15 29.488 27.630 1.858 1
1 89 . 7 1 1 A 15 15 CYS N N 15 128.099 125.375 2.724 1
1 90 . 7 1 1 A 16 16 GLU H H 16 9.566 8.774 0.792 1
1 91 . 7 1 1 A 16 16 GLU HA H 16 4.132 4.101 0.031 1
1 96 . 7 1 1 A 16 16 GLU C C 16 177.004 178.482 -1.478 1
1 97 . 7 1 1 A 16 16 GLU CA C 16 58.483 59.210 -0.727 1
1 98 . 7 1 1 A 16 16 GLU CB C 16 29.405 29.327 0.078 1
1 100 . 7 1 1 A 16 16 GLU N N 16 132.079 127.439 4.640 1
1 101 . 7 1 1 A 17 17 GLU H H 17 8.515 8.365 0.150 1
1 102 . 7 1 1 A 17 17 GLU HA H 17 4.166 3.908 0.258 1
1 107 . 7 1 1 A 17 17 GLU C C 17 177.263 178.274 -1.011 1
1 108 . 7 1 1 A 17 17 GLU CA C 17 58.536 58.585 -0.049 1
1 109 . 7 1 1 A 17 17 GLU CB C 17 29.369 28.490 0.879 1
1 111 . 7 1 1 A 17 17 GLU N N 17 119.982 120.333 -0.351 1
1 112 . 7 1 1 A 18 18 CYS H H 18 7.938 7.822 0.116 1
1 113 . 7 1 1 A 18 18 CYS HA H 18 5.196 4.699 0.497 1
1 116 . 7 1 1 A 18 18 CYS C C 18 176.278 175.549 0.729 1
1 117 . 7 1 1 A 18 18 CYS CA C 18 58.263 59.343 -1.080 1
1 118 . 7 1 1 A 18 18 CYS CB C 18 32.587 30.177 2.410 1
1 119 . 7 1 1 A 18 18 CYS N N 18 114.272 114.533 -0.261 1
1 120 . 7 1 1 A 19 19 GLY H H 19 8.314 8.314 0.000 1
1 121 . 7 1 1 A 19 19 GLY HA2 H 19 4.268 4.085 0.183 1
1 122 . 7 1 1 A 19 19 GLY HA3 H 19 3.673 4.093 -0.420 1
1 123 . 7 1 1 A 19 19 GLY C C 19 173.616 174.613 -0.997 1
1 124 . 7 1 1 A 19 19 GLY CA C 19 46.257 44.907 1.350 1
1 125 . 7 1 1 A 19 19 GLY N N 19 114.021 109.844 4.177 1
1 126 . 7 1 1 A 20 20 LYS H H 20 7.978 7.372 0.606 1
1 127 . 7 1 1 A 20 20 LYS HA H 20 3.931 4.274 -0.343 1
1 136 . 7 1 1 A 20 20 LYS C C 20 174.188 175.095 -0.907 1
1 137 . 7 1 1 A 20 20 LYS CA C 20 58.366 56.285 2.081 1
1 138 . 7 1 1 A 20 20 LYS CB C 20 33.708 34.211 -0.503 1
1 142 . 7 1 1 A 20 20 LYS N N 20 122.893 120.352 2.541 1
1 143 . 7 1 1 A 21 21 ARG H H 21 7.701 7.976 -0.275 1
1 144 . 7 1 1 A 21 21 ARG HA H 21 5.225 5.424 -0.199 1
1 151 . 7 1 1 A 21 21 ARG C C 21 175.407 174.497 0.910 1
1 152 . 7 1 1 A 21 21 ARG CA C 21 54.329 54.140 0.189 1
1 153 . 7 1 1 A 21 21 ARG CB C 21 33.812 34.739 -0.927 1
1 156 . 7 1 1 A 21 21 ARG N N 21 118.953 118.521 0.432 1
1 157 . 7 1 1 A 22 22 PHE H H 22 8.809 8.823 -0.014 1
1 158 . 7 1 1 A 22 22 PHE HA H 22 4.843 4.900 -0.057 1
1 166 . 7 1 1 A 22 22 PHE C C 22 175.443 175.571 -0.128 1
1 167 . 7 1 1 A 22 22 PHE CA C 22 57.033 56.951 0.082 1
1 168 . 7 1 1 A 22 22 PHE CB C 22 43.947 42.915 1.032 1
1 174 . 7 1 1 A 22 22 PHE N N 22 116.286 119.526 -3.240 1
1 175 . 7 1 1 A 23 23 THR H H 23 8.980 8.748 0.232 1
1 176 . 7 1 1 A 23 23 THR HA H 23 4.463 4.502 -0.039 1
1 181 . 7 1 1 A 23 23 THR C C 23 174.420 174.162 0.258 1
1 182 . 7 1 1 A 23 23 THR CA C 23 64.989 63.628 1.361 1
1 183 . 7 1 1 A 23 23 THR CB C 23 69.648 69.940 -0.292 1
1 185 . 7 1 1 A 23 23 THR N N 23 114.709 117.598 -2.889 1
1 186 . 7 1 1 A 24 24 GLN H H 24 7.526 7.706 -0.180 1
1 187 . 7 1 1 A 24 24 GLN HA H 24 4.809 4.458 0.351 1
1 194 . 7 1 1 A 24 24 GLN C C 24 176.247 175.296 0.951 1
1 195 . 7 1 1 A 24 24 GLN CA C 24 53.833 54.364 -0.531 1
1 196 . 7 1 1 A 24 24 GLN CB C 24 32.628 31.841 0.787 1
1 198 . 7 1 1 A 24 24 GLN N N 24 115.299 118.653 -3.354 1
1 200 . 7 1 1 A 25 25 ASN HA H 25 3.359 3.707 -0.348 1
1 205 . 7 1 1 A 25 25 ASN CA C 25 55.668 55.567 0.101 1
1 206 . 7 1 1 A 25 25 ASN CB C 25 37.930 37.299 0.631 1
1 207 . 7 1 1 A 25 25 ASN N N 25 119.000 120.101 -1.101 1
1 209 . 7 1 1 A 26 26 SER HA H 26 4.003 3.999 0.004 1
1 212 . 7 1 1 A 26 26 SER C C 26 177.207 176.255 0.952 1
1 213 . 7 1 1 A 26 26 SER CA C 26 60.851 61.673 -0.822 1
1 214 . 7 1 1 A 26 26 SER CB C 26 61.368 62.972 -1.604 1
1 215 . 7 1 1 A 26 26 SER N N 26 118.833 115.351 3.482 1
1 216 . 7 1 1 A 27 27 GLN H H 27 6.685 7.695 -1.010 1
1 217 . 7 1 1 A 27 27 GLN HA H 27 4.060 3.892 0.168 1
1 224 . 7 1 1 A 27 27 GLN C C 27 178.447 177.738 0.709 1
1 225 . 7 1 1 A 27 27 GLN CA C 27 57.550 58.680 -1.130 1
1 226 . 7 1 1 A 27 27 GLN CB C 27 28.617 28.434 0.183 1
1 228 . 7 1 1 A 27 27 GLN N N 27 121.169 121.162 0.007 1
1 230 . 7 1 1 A 28 28 LEU H H 28 6.836 7.284 -0.448 1
1 231 . 7 1 1 A 28 28 LEU HA H 28 3.150 2.314 0.836 1
1 241 . 7 1 1 A 28 28 LEU C C 28 177.696 178.041 -0.345 1
1 242 . 7 1 1 A 28 28 LEU CA C 28 57.849 57.407 0.442 1
1 243 . 7 1 1 A 28 28 LEU CB C 28 40.265 41.510 -1.245 1
1 247 . 7 1 1 A 28 28 LEU N N 28 121.952 121.148 0.804 1
1 248 . 7 1 1 A 29 29 HIS H H 29 8.184 8.957 -0.773 1
1 249 . 7 1 1 A 29 29 HIS HA H 29 4.354 4.262 0.092 1
1 254 . 7 1 1 A 29 29 HIS C C 29 178.575 177.140 1.435 1
1 255 . 7 1 1 A 29 29 HIS CA C 29 59.335 59.208 0.127 1
1 256 . 7 1 1 A 29 29 HIS CB C 29 30.003 29.690 0.313 1
1 259 . 7 1 1 A 29 29 HIS N N 29 118.076 117.117 0.959 1
1 260 . 7 1 1 A 30 30 SER H H 30 7.774 7.661 0.113 1
1 261 . 7 1 1 A 30 30 SER HA H 30 4.114 4.185 -0.071 1
1 264 . 7 1 1 A 30 30 SER C C 30 176.995 176.914 0.081 1
1 265 . 7 1 1 A 30 30 SER CA C 30 61.403 60.565 0.838 1
1 266 . 7 1 1 A 30 30 SER CB C 30 62.700 62.877 -0.177 1
1 267 . 7 1 1 A 30 30 SER N N 30 113.416 115.135 -1.719 1
1 268 . 7 1 1 A 31 31 HIS H H 31 7.674 7.687 -0.013 1
1 269 . 7 1 1 A 31 31 HIS HA H 31 4.244 4.212 0.032 1
1 274 . 7 1 1 A 31 31 HIS C C 31 175.921 177.213 -1.292 1
1 275 . 7 1 1 A 31 31 HIS CA C 31 58.808 59.322 -0.514 1
1 276 . 7 1 1 A 31 31 HIS CB C 31 28.456 30.138 -1.682 1
1 279 . 7 1 1 A 31 31 HIS N N 31 121.035 120.970 0.065 1
1 280 . 7 1 1 A 32 32 GLN H H 32 8.120 8.636 -0.516 1
1 281 . 7 1 1 A 32 32 GLN HA H 32 3.662 4.149 -0.487 1
1 288 . 7 1 1 A 32 32 GLN C C 32 177.273 178.450 -1.177 1
1 289 . 7 1 1 A 32 32 GLN CA C 32 59.264 58.845 0.419 1
1 290 . 7 1 1 A 32 32 GLN CB C 32 28.135 28.239 -0.104 1
1 292 . 7 1 1 A 32 32 GLN N N 32 115.343 118.472 -3.129 1
1 294 . 7 1 1 A 33 33 ARG H H 33 7.065 8.054 -0.989 1
1 295 . 7 1 1 A 33 33 ARG HA H 33 4.124 4.261 -0.137 1
1 302 . 7 1 1 A 33 33 ARG C C 33 178.476 178.996 -0.520 1
1 303 . 7 1 1 A 33 33 ARG CA C 33 58.372 58.952 -0.580 1
1 304 . 7 1 1 A 33 33 ARG CB C 33 29.919 29.791 0.128 1
1 307 . 7 1 1 A 33 33 ARG N N 33 117.435 120.376 -2.941 1
1 308 . 7 1 1 A 34 34 VAL H H 34 7.882 7.971 -0.089 1
1 309 . 7 1 1 A 34 34 VAL HA H 34 3.899 3.674 0.225 1
1 317 . 7 1 1 A 34 34 VAL C C 34 177.238 177.451 -0.213 1
1 318 . 7 1 1 A 34 34 VAL CA C 34 63.969 65.249 -1.280 1
1 319 . 7 1 1 A 34 34 VAL CB C 34 31.000 31.155 -0.155 1
1 322 . 7 1 1 A 34 34 VAL N N 34 116.190 116.736 -0.546 1
1 323 . 7 1 1 A 35 35 HIS H H 35 7.203 7.670 -0.467 1
1 324 . 7 1 1 A 35 35 HIS HA H 35 4.877 4.454 0.423 1
1 329 . 7 1 1 A 35 35 HIS C C 35 175.781 176.094 -0.313 1
1 330 . 7 1 1 A 35 35 HIS CA C 35 55.155 58.609 -3.454 1
1 331 . 7 1 1 A 35 35 HIS CB C 35 28.648 30.600 -1.952 1
1 334 . 7 1 1 A 35 35 HIS N N 35 117.199 119.969 -2.770 1
1 335 . 7 1 1 A 36 36 THR H H 36 7.779 7.661 0.118 1
1 336 . 7 1 1 A 36 36 THR HA H 36 4.353 4.292 0.061 1
1 341 . 7 1 1 A 36 36 THR C C 36 175.511 175.037 0.474 1
1 342 . 7 1 1 A 36 36 THR CA C 36 62.495 61.525 0.970 1
1 343 . 7 1 1 A 36 36 THR CB C 36 69.840 68.611 1.229 1
1 345 . 7 1 1 A 36 36 THR N N 36 111.736 110.829 0.907 1
1 346 . 7 1 1 A 37 37 GLY H H 37 8.231 8.251 -0.020 1
1 347 . 7 1 1 A 37 37 GLY HA2 H 37 4.026 3.963 0.063 1
1 348 . 7 1 1 A 37 37 GLY HA3 H 37 3.951 3.968 -0.017 1
1 349 . 7 1 1 A 37 37 GLY C C 37 174.029 173.440 0.589 1
1 350 . 7 1 1 A 37 37 GLY CA C 37 45.277 45.092 0.185 1
1 351 . 7 1 1 A 37 37 GLY N N 37 110.634 111.188 -0.554 1
1 352 . 7 1 1 A 38 38 GLU H H 38 8.089 8.266 -0.177 1
1 353 . 7 1 1 A 38 38 GLU HA H 38 4.246 4.785 -0.539 1
1 358 . 7 1 1 A 38 38 GLU C C 38 176.458 175.040 1.418 1
1 359 . 7 1 1 A 38 38 GLU CA C 38 56.489 55.517 0.972 1
1 360 . 7 1 1 A 38 38 GLU CB C 38 30.515 31.033 -0.518 1
1 362 . 7 1 1 A 38 38 GLU N N 38 120.563 122.263 -1.700 1
1 363 . 7 1 1 A 39 39 LYS H H 39 8.395 8.549 -0.154 1
1 364 . 7 1 1 A 39 39 LYS HA H 39 4.604 4.797 -0.193 1
1 373 . 7 1 1 A 39 39 LYS C C 39 174.345 174.089 0.256 1
1 374 . 7 1 1 A 39 39 LYS CA C 39 54.144 53.046 1.098 1
1 375 . 7 1 1 A 39 39 LYS CB C 39 32.504 34.553 -2.049 1
1 379 . 7 1 1 A 39 39 LYS N N 39 123.827 125.643 -1.816 1
1 380 . 7 1 1 A 40 40 PRO HA H 40 4.456 4.741 -0.285 1
1 387 . 7 1 1 A 40 40 PRO CA C 40 63.186 62.462 0.724 1
1 388 . 7 1 1 A 40 40 PRO CB C 40 32.177 29.790 2.387 1
1 391 . 7 1 1 A 41 41 SER H H 41 8.483 8.436 0.047 1
1 392 . 7 1 1 A 41 41 SER HA H 41 4.453 4.781 -0.328 1
1 395 . 7 1 1 A 41 41 SER CA C 41 58.591 56.701 1.890 1
1 396 . 7 1 1 A 41 41 SER CB C 41 63.944 65.949 -2.005 1
1 397 . 7 1 1 A 41 41 SER N N 41 116.550 119.209 -2.659 1
1 398 . 7 1 1 A 42 42 GLY H H 42 8.230 8.826 -0.596 1
1 399 . 7 1 1 A 42 42 GLY HA2 H 42 4.159 3.882 0.277 1
1 400 . 7 1 1 A 42 42 GLY HA3 H 42 4.111 3.882 0.229 1
1 401 . 7 1 1 A 42 42 GLY CA C 42 44.656 46.910 -2.254 1
1 402 . 7 1 1 A 42 42 GLY N N 42 110.653 117.230 -6.577 1
1 403 . 7 1 1 A 43 43 PRO HA H 43 4.466 4.718 -0.252 1
1 410 . 7 1 1 A 43 43 PRO CA C 43 63.318 62.364 0.954 1
1 411 . 7 1 1 A 43 43 PRO CB C 43 32.206 29.514 2.692 1
1 414 . 7 1 1 A 44 44 SER H H 44 8.485 8.073 0.412 1
1 1 . 8 1 1 A 9 9 GLY H H 9 8.233 8.481 -0.248 1
1 2 . 8 1 1 A 9 9 GLY HA2 H 9 4.025 4.072 -0.047 1
1 3 . 8 1 1 A 9 9 GLY HA3 H 9 3.948 4.077 -0.129 1
1 4 . 8 1 1 A 9 9 GLY C C 9 174.022 172.174 1.848 1
1 5 . 8 1 1 A 9 9 GLY CA C 9 45.367 45.242 0.125 1
1 6 . 8 1 1 A 9 9 GLY N N 9 110.543 110.674 -0.131 1
1 7 . 8 1 1 A 10 10 GLU H H 10 8.175 8.862 -0.687 1
1 8 . 8 1 1 A 10 10 GLU HA H 10 4.187 5.109 -0.922 1
1 13 . 8 1 1 A 10 10 GLU C C 10 176.220 175.092 1.128 1
1 14 . 8 1 1 A 10 10 GLU CA C 10 56.730 54.542 2.188 1
1 15 . 8 1 1 A 10 10 GLU CB C 10 30.395 33.559 -3.164 1
1 17 . 8 1 1 A 10 10 GLU N N 10 120.194 118.125 2.069 1
1 18 . 8 1 1 A 11 11 LYS H H 11 8.391 8.477 -0.086 1
1 19 . 8 1 1 A 11 11 LYS HA H 11 4.528 5.032 -0.504 1
1 28 . 8 1 1 A 11 11 LYS C C 11 174.468 175.720 -1.252 1
1 29 . 8 1 1 A 11 11 LYS CA C 11 54.112 52.754 1.358 1
1 30 . 8 1 1 A 11 11 LYS CB C 11 33.635 35.256 -1.621 1
1 34 . 8 1 1 A 11 11 LYS N N 11 121.933 121.068 0.865 1
1 35 . 8 1 1 A 12 12 PRO HA H 12 4.229 4.397 -0.168 1
1 42 . 8 1 1 A 12 12 PRO C C 12 176.420 176.141 0.279 1
1 43 . 8 1 1 A 12 12 PRO CA C 12 63.948 64.469 -0.521 1
1 44 . 8 1 1 A 12 12 PRO CB C 12 32.366 31.835 0.531 1
1 47 . 8 1 1 A 13 13 PHE H H 13 7.694 7.319 0.375 1
1 48 . 8 1 1 A 13 13 PHE HA H 13 4.700 5.008 -0.308 1
1 56 . 8 1 1 A 13 13 PHE C C 13 174.071 174.776 -0.705 1
1 57 . 8 1 1 A 13 13 PHE CA C 13 57.784 57.412 0.372 1
1 58 . 8 1 1 A 13 13 PHE CB C 13 39.605 41.035 -1.430 1
1 64 . 8 1 1 A 13 13 PHE N N 13 117.427 118.456 -1.029 1
1 65 . 8 1 1 A 14 14 LYS H H 14 8.784 8.960 -0.176 1
1 66 . 8 1 1 A 14 14 LYS HA H 14 4.976 5.426 -0.450 1
1 75 . 8 1 1 A 14 14 LYS C C 14 174.467 174.947 -0.480 1
1 76 . 8 1 1 A 14 14 LYS CA C 14 54.862 54.839 0.023 1
1 77 . 8 1 1 A 14 14 LYS CB C 14 36.253 36.497 -0.244 1
1 81 . 8 1 1 A 14 14 LYS N N 14 125.268 122.404 2.864 1
1 82 . 8 1 1 A 15 15 CYS H H 15 9.301 9.277 0.024 1
1 83 . 8 1 1 A 15 15 CYS HA H 15 4.615 4.655 -0.040 1
1 86 . 8 1 1 A 15 15 CYS C C 15 177.056 175.609 1.447 1
1 87 . 8 1 1 A 15 15 CYS CA C 15 59.312 58.973 0.339 1
1 88 . 8 1 1 A 15 15 CYS CB C 15 29.488 27.627 1.861 1
1 89 . 8 1 1 A 15 15 CYS N N 15 128.099 125.402 2.697 1
1 90 . 8 1 1 A 16 16 GLU H H 16 9.566 8.389 1.177 1
1 91 . 8 1 1 A 16 16 GLU HA H 16 4.132 4.122 0.010 1
1 96 . 8 1 1 A 16 16 GLU C C 16 177.004 178.512 -1.508 1
1 97 . 8 1 1 A 16 16 GLU CA C 16 58.483 59.241 -0.758 1
1 98 . 8 1 1 A 16 16 GLU CB C 16 29.405 29.338 0.067 1
1 100 . 8 1 1 A 16 16 GLU N N 16 132.079 127.128 4.951 1
1 101 . 8 1 1 A 17 17 GLU H H 17 8.515 8.505 0.010 1
1 102 . 8 1 1 A 17 17 GLU HA H 17 4.166 3.954 0.212 1
1 107 . 8 1 1 A 17 17 GLU C C 17 177.263 178.279 -1.016 1
1 108 . 8 1 1 A 17 17 GLU CA C 17 58.536 58.637 -0.101 1
1 109 . 8 1 1 A 17 17 GLU CB C 17 29.369 28.546 0.823 1
1 111 . 8 1 1 A 17 17 GLU N N 17 119.982 120.158 -0.176 1
1 112 . 8 1 1 A 18 18 CYS H H 18 7.938 7.838 0.100 1
1 113 . 8 1 1 A 18 18 CYS HA H 18 5.196 4.674 0.522 1
1 116 . 8 1 1 A 18 18 CYS C C 18 176.278 175.550 0.728 1
1 117 . 8 1 1 A 18 18 CYS CA C 18 58.263 59.327 -1.064 1
1 118 . 8 1 1 A 18 18 CYS CB C 18 32.587 30.136 2.451 1
1 119 . 8 1 1 A 18 18 CYS N N 18 114.272 114.543 -0.271 1
1 120 . 8 1 1 A 19 19 GLY H H 19 8.314 8.372 -0.058 1
1 121 . 8 1 1 A 19 19 GLY HA2 H 19 4.268 4.093 0.175 1
1 122 . 8 1 1 A 19 19 GLY HA3 H 19 3.673 4.106 -0.433 1
1 123 . 8 1 1 A 19 19 GLY C C 19 173.616 174.598 -0.982 1
1 124 . 8 1 1 A 19 19 GLY CA C 19 46.257 44.919 1.338 1
1 125 . 8 1 1 A 19 19 GLY N N 19 114.021 109.858 4.163 1
1 126 . 8 1 1 A 20 20 LYS H H 20 7.978 7.338 0.640 1
1 127 . 8 1 1 A 20 20 LYS HA H 20 3.931 4.280 -0.349 1
1 136 . 8 1 1 A 20 20 LYS C C 20 174.188 175.109 -0.921 1
1 137 . 8 1 1 A 20 20 LYS CA C 20 58.366 56.334 2.032 1
1 138 . 8 1 1 A 20 20 LYS CB C 20 33.708 34.216 -0.508 1
1 142 . 8 1 1 A 20 20 LYS N N 20 122.893 120.360 2.533 1
1 143 . 8 1 1 A 21 21 ARG H H 21 7.701 7.906 -0.205 1
1 144 . 8 1 1 A 21 21 ARG HA H 21 5.225 5.509 -0.284 1
1 151 . 8 1 1 A 21 21 ARG C C 21 175.407 174.431 0.976 1
1 152 . 8 1 1 A 21 21 ARG CA C 21 54.329 54.024 0.305 1
1 153 . 8 1 1 A 21 21 ARG CB C 21 33.812 34.729 -0.917 1
1 156 . 8 1 1 A 21 21 ARG N N 21 118.953 118.522 0.431 1
1 157 . 8 1 1 A 22 22 PHE H H 22 8.809 8.928 -0.119 1
1 158 . 8 1 1 A 22 22 PHE HA H 22 4.843 4.881 -0.038 1
1 166 . 8 1 1 A 22 22 PHE C C 22 175.443 175.552 -0.109 1
1 167 . 8 1 1 A 22 22 PHE CA C 22 57.033 56.947 0.086 1
1 168 . 8 1 1 A 22 22 PHE CB C 22 43.947 42.923 1.024 1
1 174 . 8 1 1 A 22 22 PHE N N 22 116.286 118.837 -2.551 1
1 175 . 8 1 1 A 23 23 THR H H 23 8.980 8.773 0.207 1
1 176 . 8 1 1 A 23 23 THR HA H 23 4.463 4.516 -0.053 1
1 181 . 8 1 1 A 23 23 THR C C 23 174.420 173.972 0.448 1
1 182 . 8 1 1 A 23 23 THR CA C 23 64.989 63.589 1.400 1
1 183 . 8 1 1 A 23 23 THR CB C 23 69.648 69.865 -0.217 1
1 185 . 8 1 1 A 23 23 THR N N 23 114.709 117.434 -2.725 1
1 186 . 8 1 1 A 24 24 GLN H H 24 7.526 7.600 -0.074 1
1 187 . 8 1 1 A 24 24 GLN HA H 24 4.809 4.426 0.383 1
1 194 . 8 1 1 A 24 24 GLN C C 24 176.247 175.322 0.925 1
1 195 . 8 1 1 A 24 24 GLN CA C 24 53.833 54.262 -0.429 1
1 196 . 8 1 1 A 24 24 GLN CB C 24 32.628 32.027 0.601 1
1 198 . 8 1 1 A 24 24 GLN N N 24 115.299 118.697 -3.398 1
1 200 . 8 1 1 A 25 25 ASN HA H 25 3.359 3.542 -0.183 1
1 205 . 8 1 1 A 25 25 ASN CA C 25 55.668 55.441 0.227 1
1 206 . 8 1 1 A 25 25 ASN CB C 25 37.930 36.918 1.012 1
1 207 . 8 1 1 A 25 25 ASN N N 25 119.000 120.202 -1.202 1
1 209 . 8 1 1 A 26 26 SER HA H 26 4.003 4.050 -0.047 1
1 212 . 8 1 1 A 26 26 SER C C 26 177.207 176.278 0.929 1
1 213 . 8 1 1 A 26 26 SER CA C 26 60.851 61.589 -0.738 1
1 214 . 8 1 1 A 26 26 SER CB C 26 61.368 63.203 -1.835 1
1 215 . 8 1 1 A 26 26 SER N N 26 118.833 115.305 3.528 1
1 216 . 8 1 1 A 27 27 GLN H H 27 6.685 7.527 -0.842 1
1 217 . 8 1 1 A 27 27 GLN HA H 27 4.060 3.910 0.150 1
1 224 . 8 1 1 A 27 27 GLN C C 27 178.447 177.693 0.754 1
1 225 . 8 1 1 A 27 27 GLN CA C 27 57.550 58.691 -1.141 1
1 226 . 8 1 1 A 27 27 GLN CB C 27 28.617 28.302 0.315 1
1 228 . 8 1 1 A 27 27 GLN N N 27 121.169 121.085 0.084 1
1 230 . 8 1 1 A 28 28 LEU H H 28 6.836 7.271 -0.435 1
1 231 . 8 1 1 A 28 28 LEU HA H 28 3.150 2.412 0.738 1
1 241 . 8 1 1 A 28 28 LEU C C 28 177.696 178.220 -0.524 1
1 242 . 8 1 1 A 28 28 LEU CA C 28 57.849 57.477 0.372 1
1 243 . 8 1 1 A 28 28 LEU CB C 28 40.265 41.553 -1.288 1
1 247 . 8 1 1 A 28 28 LEU N N 28 121.952 121.088 0.864 1
1 248 . 8 1 1 A 29 29 HIS H H 29 8.184 8.706 -0.522 1
1 249 . 8 1 1 A 29 29 HIS HA H 29 4.354 4.330 0.024 1
1 254 . 8 1 1 A 29 29 HIS C C 29 178.575 177.142 1.433 1
1 255 . 8 1 1 A 29 29 HIS CA C 29 59.335 59.318 0.017 1
1 256 . 8 1 1 A 29 29 HIS CB C 29 30.003 29.598 0.405 1
1 259 . 8 1 1 A 29 29 HIS N N 29 118.076 117.192 0.884 1
1 260 . 8 1 1 A 30 30 SER H H 30 7.774 7.570 0.204 1
1 261 . 8 1 1 A 30 30 SER HA H 30 4.114 4.163 -0.049 1
1 264 . 8 1 1 A 30 30 SER C C 30 176.995 177.002 -0.007 1
1 265 . 8 1 1 A 30 30 SER CA C 30 61.403 60.644 0.759 1
1 266 . 8 1 1 A 30 30 SER CB C 30 62.700 62.951 -0.251 1
1 267 . 8 1 1 A 30 30 SER N N 30 113.416 115.538 -2.122 1
1 268 . 8 1 1 A 31 31 HIS H H 31 7.674 7.690 -0.016 1
1 269 . 8 1 1 A 31 31 HIS HA H 31 4.244 4.224 0.020 1
1 274 . 8 1 1 A 31 31 HIS C C 31 175.921 177.139 -1.218 1
1 275 . 8 1 1 A 31 31 HIS CA C 31 58.808 59.178 -0.370 1
1 276 . 8 1 1 A 31 31 HIS CB C 31 28.456 30.158 -1.702 1
1 279 . 8 1 1 A 31 31 HIS N N 31 121.035 120.890 0.145 1
1 280 . 8 1 1 A 32 32 GLN H H 32 8.120 8.689 -0.569 1
1 281 . 8 1 1 A 32 32 GLN HA H 32 3.662 4.135 -0.473 1
1 288 . 8 1 1 A 32 32 GLN C C 32 177.273 178.558 -1.285 1
1 289 . 8 1 1 A 32 32 GLN CA C 32 59.264 59.036 0.228 1
1 290 . 8 1 1 A 32 32 GLN CB C 32 28.135 28.205 -0.070 1
1 292 . 8 1 1 A 32 32 GLN N N 32 115.343 118.532 -3.189 1
1 294 . 8 1 1 A 33 33 ARG H H 33 7.065 7.996 -0.931 1
1 295 . 8 1 1 A 33 33 ARG HA H 33 4.124 4.194 -0.070 1
1 302 . 8 1 1 A 33 33 ARG C C 33 178.476 178.980 -0.504 1
1 303 . 8 1 1 A 33 33 ARG CA C 33 58.372 58.899 -0.527 1
1 304 . 8 1 1 A 33 33 ARG CB C 33 29.919 29.809 0.110 1
1 307 . 8 1 1 A 33 33 ARG N N 33 117.435 120.235 -2.800 1
1 308 . 8 1 1 A 34 34 VAL H H 34 7.882 7.848 0.034 1
1 309 . 8 1 1 A 34 34 VAL HA H 34 3.899 3.721 0.178 1
1 317 . 8 1 1 A 34 34 VAL C C 34 177.238 176.486 0.752 1
1 318 . 8 1 1 A 34 34 VAL CA C 34 63.969 65.081 -1.112 1
1 319 . 8 1 1 A 34 34 VAL CB C 34 31.000 31.092 -0.092 1
1 322 . 8 1 1 A 34 34 VAL N N 34 116.190 116.659 -0.469 1
1 323 . 8 1 1 A 35 35 HIS H H 35 7.203 7.670 -0.467 1
1 324 . 8 1 1 A 35 35 HIS HA H 35 4.877 4.422 0.455 1
1 329 . 8 1 1 A 35 35 HIS C C 35 175.781 177.456 -1.675 1
1 330 . 8 1 1 A 35 35 HIS CA C 35 55.155 58.162 -3.007 1
1 331 . 8 1 1 A 35 35 HIS CB C 35 28.648 30.819 -2.171 1
1 334 . 8 1 1 A 35 35 HIS N N 35 117.199 119.736 -2.537 1
1 335 . 8 1 1 A 36 36 THR H H 36 7.779 7.967 -0.188 1
1 336 . 8 1 1 A 36 36 THR HA H 36 4.353 3.994 0.359 1
1 341 . 8 1 1 A 36 36 THR C C 36 175.511 177.122 -1.611 1
1 342 . 8 1 1 A 36 36 THR CA C 36 62.495 65.321 -2.826 1
1 343 . 8 1 1 A 36 36 THR CB C 36 69.840 67.956 1.884 1
1 345 . 8 1 1 A 36 36 THR N N 36 111.736 112.615 -0.879 1
1 346 . 8 1 1 A 37 37 GLY H H 37 8.231 7.835 0.396 1
1 347 . 8 1 1 A 37 37 GLY HA2 H 37 4.026 3.759 0.267 1
1 348 . 8 1 1 A 37 37 GLY HA3 H 37 3.951 3.768 0.183 1
1 349 . 8 1 1 A 37 37 GLY C C 37 174.029 174.010 0.019 1
1 350 . 8 1 1 A 37 37 GLY CA C 37 45.277 46.986 -1.709 1
1 351 . 8 1 1 A 37 37 GLY N N 37 110.634 110.264 0.370 1
1 352 . 8 1 1 A 38 38 GLU H H 38 8.089 7.896 0.193 1
1 353 . 8 1 1 A 38 38 GLU HA H 38 4.246 4.935 -0.689 1
1 358 . 8 1 1 A 38 38 GLU C C 38 176.458 174.691 1.767 1
1 359 . 8 1 1 A 38 38 GLU CA C 38 56.489 54.511 1.978 1
1 360 . 8 1 1 A 38 38 GLU CB C 38 30.515 33.304 -2.789 1
1 362 . 8 1 1 A 38 38 GLU N N 38 120.563 119.259 1.304 1
1 363 . 8 1 1 A 39 39 LYS H H 39 8.395 8.406 -0.011 1
1 364 . 8 1 1 A 39 39 LYS HA H 39 4.604 4.878 -0.274 1
1 373 . 8 1 1 A 39 39 LYS C C 39 174.345 175.340 -0.995 1
1 374 . 8 1 1 A 39 39 LYS CA C 39 54.144 54.283 -0.139 1
1 375 . 8 1 1 A 39 39 LYS CB C 39 32.504 33.213 -0.709 1
1 379 . 8 1 1 A 39 39 LYS N N 39 123.827 122.237 1.590 1
1 380 . 8 1 1 A 40 40 PRO HA H 40 4.456 4.670 -0.214 1
1 387 . 8 1 1 A 40 40 PRO CA C 40 63.186 62.486 0.700 1
1 388 . 8 1 1 A 40 40 PRO CB C 40 32.177 32.654 -0.477 1
1 391 . 8 1 1 A 41 41 SER H H 41 8.483 8.453 0.030 1
1 392 . 8 1 1 A 41 41 SER HA H 41 4.453 4.765 -0.312 1
1 395 . 8 1 1 A 41 41 SER CA C 41 58.591 57.798 0.793 1
1 396 . 8 1 1 A 41 41 SER CB C 41 63.944 62.386 1.558 1
1 397 . 8 1 1 A 41 41 SER N N 41 116.550 117.876 -1.326 1
1 398 . 8 1 1 A 42 42 GLY H H 42 8.230 8.100 0.130 1
1 399 . 8 1 1 A 42 42 GLY HA2 H 42 4.159 4.185 -0.026 1
1 400 . 8 1 1 A 42 42 GLY HA3 H 42 4.111 4.187 -0.076 1
1 401 . 8 1 1 A 42 42 GLY CA C 42 44.656 45.059 -0.403 1
1 402 . 8 1 1 A 42 42 GLY N N 42 110.653 112.408 -1.755 1
1 403 . 8 1 1 A 43 43 PRO HA H 43 4.466 4.567 -0.101 1
1 410 . 8 1 1 A 43 43 PRO CA C 43 63.318 63.594 -0.276 1
1 411 . 8 1 1 A 43 43 PRO CB C 43 32.206 31.854 0.352 1
1 414 . 8 1 1 A 44 44 SER H H 44 8.485 7.852 0.633 1
1 1 . 9 1 1 A 9 9 GLY H H 9 8.233 7.847 0.386 1
1 2 . 9 1 1 A 9 9 GLY HA2 H 9 4.025 4.037 -0.012 1
1 3 . 9 1 1 A 9 9 GLY HA3 H 9 3.948 4.038 -0.090 1
1 4 . 9 1 1 A 9 9 GLY C C 9 174.022 173.582 0.440 1
1 5 . 9 1 1 A 9 9 GLY CA C 9 45.367 44.750 0.617 1
1 6 . 9 1 1 A 9 9 GLY N N 9 110.543 107.090 3.453 1
1 7 . 9 1 1 A 10 10 GLU H H 10 8.175 8.552 -0.377 1
1 8 . 9 1 1 A 10 10 GLU HA H 10 4.187 4.776 -0.589 1
1 13 . 9 1 1 A 10 10 GLU C C 10 176.220 175.820 0.400 1
1 14 . 9 1 1 A 10 10 GLU CA C 10 56.730 55.801 0.929 1
1 15 . 9 1 1 A 10 10 GLU CB C 10 30.395 30.343 0.052 1
1 17 . 9 1 1 A 10 10 GLU N N 10 120.194 120.640 -0.446 1
1 18 . 9 1 1 A 11 11 LYS H H 11 8.391 8.478 -0.087 1
1 19 . 9 1 1 A 11 11 LYS HA H 11 4.528 4.987 -0.459 1
1 28 . 9 1 1 A 11 11 LYS C C 11 174.468 175.740 -1.272 1
1 29 . 9 1 1 A 11 11 LYS CA C 11 54.112 52.444 1.668 1
1 30 . 9 1 1 A 11 11 LYS CB C 11 33.635 33.911 -0.276 1
1 34 . 9 1 1 A 11 11 LYS N N 11 121.933 124.209 -2.276 1
1 35 . 9 1 1 A 12 12 PRO HA H 12 4.229 4.397 -0.168 1
1 42 . 9 1 1 A 12 12 PRO C C 12 176.420 176.081 0.339 1
1 43 . 9 1 1 A 12 12 PRO CA C 12 63.948 64.385 -0.437 1
1 44 . 9 1 1 A 12 12 PRO CB C 12 32.366 31.662 0.704 1
1 47 . 9 1 1 A 13 13 PHE H H 13 7.694 7.283 0.411 1
1 48 . 9 1 1 A 13 13 PHE HA H 13 4.700 5.011 -0.311 1
1 56 . 9 1 1 A 13 13 PHE C C 13 174.071 174.339 -0.268 1
1 57 . 9 1 1 A 13 13 PHE CA C 13 57.784 57.005 0.779 1
1 58 . 9 1 1 A 13 13 PHE CB C 13 39.605 41.060 -1.455 1
1 64 . 9 1 1 A 13 13 PHE N N 13 117.427 118.364 -0.937 1
1 65 . 9 1 1 A 14 14 LYS H H 14 8.784 8.934 -0.150 1
1 66 . 9 1 1 A 14 14 LYS HA H 14 4.976 5.450 -0.474 1
1 75 . 9 1 1 A 14 14 LYS C C 14 174.467 174.990 -0.523 1
1 76 . 9 1 1 A 14 14 LYS CA C 14 54.862 54.740 0.122 1
1 77 . 9 1 1 A 14 14 LYS CB C 14 36.253 36.560 -0.307 1
1 81 . 9 1 1 A 14 14 LYS N N 14 125.268 122.709 2.559 1
1 82 . 9 1 1 A 15 15 CYS H H 15 9.301 9.189 0.112 1
1 83 . 9 1 1 A 15 15 CYS HA H 15 4.615 4.625 -0.010 1
1 86 . 9 1 1 A 15 15 CYS C C 15 177.056 175.702 1.354 1
1 87 . 9 1 1 A 15 15 CYS CA C 15 59.312 58.944 0.368 1
1 88 . 9 1 1 A 15 15 CYS CB C 15 29.488 27.634 1.854 1
1 89 . 9 1 1 A 15 15 CYS N N 15 128.099 125.377 2.722 1
1 90 . 9 1 1 A 16 16 GLU H H 16 9.566 8.801 0.765 1
1 91 . 9 1 1 A 16 16 GLU HA H 16 4.132 4.114 0.018 1
1 96 . 9 1 1 A 16 16 GLU C C 16 177.004 178.473 -1.469 1
1 97 . 9 1 1 A 16 16 GLU CA C 16 58.483 59.233 -0.750 1
1 98 . 9 1 1 A 16 16 GLU CB C 16 29.405 29.325 0.080 1
1 100 . 9 1 1 A 16 16 GLU N N 16 132.079 127.343 4.736 1
1 101 . 9 1 1 A 17 17 GLU H H 17 8.515 8.467 0.048 1
1 102 . 9 1 1 A 17 17 GLU HA H 17 4.166 3.922 0.244 1
1 107 . 9 1 1 A 17 17 GLU C C 17 177.263 178.261 -0.998 1
1 108 . 9 1 1 A 17 17 GLU CA C 17 58.536 58.589 -0.053 1
1 109 . 9 1 1 A 17 17 GLU CB C 17 29.369 28.332 1.037 1
1 111 . 9 1 1 A 17 17 GLU N N 17 119.982 120.138 -0.156 1
1 112 . 9 1 1 A 18 18 CYS H H 18 7.938 7.857 0.081 1
1 113 . 9 1 1 A 18 18 CYS HA H 18 5.196 4.737 0.459 1
1 116 . 9 1 1 A 18 18 CYS C C 18 176.278 175.569 0.709 1
1 117 . 9 1 1 A 18 18 CYS CA C 18 58.263 59.458 -1.195 1
1 118 . 9 1 1 A 18 18 CYS CB C 18 32.587 30.191 2.396 1
1 119 . 9 1 1 A 18 18 CYS N N 18 114.272 114.695 -0.423 1
1 120 . 9 1 1 A 19 19 GLY H H 19 8.314 8.434 -0.120 1
1 121 . 9 1 1 A 19 19 GLY HA2 H 19 4.268 4.091 0.177 1
1 122 . 9 1 1 A 19 19 GLY HA3 H 19 3.673 4.100 -0.427 1
1 123 . 9 1 1 A 19 19 GLY C C 19 173.616 174.664 -1.048 1
1 124 . 9 1 1 A 19 19 GLY CA C 19 46.257 45.019 1.238 1
1 125 . 9 1 1 A 19 19 GLY N N 19 114.021 109.879 4.142 1
1 126 . 9 1 1 A 20 20 LYS H H 20 7.978 7.292 0.686 1
1 127 . 9 1 1 A 20 20 LYS HA H 20 3.931 4.269 -0.338 1
1 136 . 9 1 1 A 20 20 LYS C C 20 174.188 175.214 -1.026 1
1 137 . 9 1 1 A 20 20 LYS CA C 20 58.366 56.319 2.047 1
1 138 . 9 1 1 A 20 20 LYS CB C 20 33.708 34.215 -0.507 1
1 142 . 9 1 1 A 20 20 LYS N N 20 122.893 120.158 2.735 1
1 143 . 9 1 1 A 21 21 ARG H H 21 7.701 7.966 -0.265 1
1 144 . 9 1 1 A 21 21 ARG HA H 21 5.225 5.473 -0.248 1
1 151 . 9 1 1 A 21 21 ARG C C 21 175.407 174.478 0.929 1
1 152 . 9 1 1 A 21 21 ARG CA C 21 54.329 54.152 0.177 1
1 153 . 9 1 1 A 21 21 ARG CB C 21 33.812 34.641 -0.829 1
1 156 . 9 1 1 A 21 21 ARG N N 21 118.953 118.625 0.328 1
1 157 . 9 1 1 A 22 22 PHE H H 22 8.809 9.058 -0.249 1
1 158 . 9 1 1 A 22 22 PHE HA H 22 4.843 4.877 -0.034 1
1 166 . 9 1 1 A 22 22 PHE C C 22 175.443 175.561 -0.118 1
1 167 . 9 1 1 A 22 22 PHE CA C 22 57.033 56.912 0.121 1
1 168 . 9 1 1 A 22 22 PHE CB C 22 43.947 43.056 0.891 1
1 174 . 9 1 1 A 22 22 PHE N N 22 116.286 119.609 -3.323 1
1 175 . 9 1 1 A 23 23 THR H H 23 8.980 8.693 0.287 1
1 176 . 9 1 1 A 23 23 THR HA H 23 4.463 4.490 -0.027 1
1 181 . 9 1 1 A 23 23 THR C C 23 174.420 174.084 0.336 1
1 182 . 9 1 1 A 23 23 THR CA C 23 64.989 63.610 1.379 1
1 183 . 9 1 1 A 23 23 THR CB C 23 69.648 69.859 -0.211 1
1 185 . 9 1 1 A 23 23 THR N N 23 114.709 117.617 -2.908 1
1 186 . 9 1 1 A 24 24 GLN H H 24 7.526 7.702 -0.176 1
1 187 . 9 1 1 A 24 24 GLN HA H 24 4.809 4.401 0.408 1
1 194 . 9 1 1 A 24 24 GLN C C 24 176.247 175.350 0.897 1
1 195 . 9 1 1 A 24 24 GLN CA C 24 53.833 54.411 -0.578 1
1 196 . 9 1 1 A 24 24 GLN CB C 24 32.628 31.867 0.761 1
1 198 . 9 1 1 A 24 24 GLN N N 24 115.299 118.759 -3.460 1
1 200 . 9 1 1 A 25 25 ASN HA H 25 3.359 3.528 -0.169 1
1 205 . 9 1 1 A 25 25 ASN CA C 25 55.668 55.447 0.221 1
1 206 . 9 1 1 A 25 25 ASN CB C 25 37.930 37.060 0.870 1
1 207 . 9 1 1 A 25 25 ASN N N 25 119.000 120.155 -1.155 1
1 209 . 9 1 1 A 26 26 SER HA H 26 4.003 4.088 -0.085 1
1 212 . 9 1 1 A 26 26 SER C C 26 177.207 176.289 0.918 1
1 213 . 9 1 1 A 26 26 SER CA C 26 60.851 61.704 -0.853 1
1 214 . 9 1 1 A 26 26 SER CB C 26 61.368 63.194 -1.826 1
1 215 . 9 1 1 A 26 26 SER N N 26 118.833 115.423 3.410 1
1 216 . 9 1 1 A 27 27 GLN H H 27 6.685 7.530 -0.845 1
1 217 . 9 1 1 A 27 27 GLN HA H 27 4.060 3.886 0.174 1
1 224 . 9 1 1 A 27 27 GLN C C 27 178.447 177.664 0.783 1
1 225 . 9 1 1 A 27 27 GLN CA C 27 57.550 58.679 -1.129 1
1 226 . 9 1 1 A 27 27 GLN CB C 27 28.617 28.422 0.195 1
1 228 . 9 1 1 A 27 27 GLN N N 27 121.169 121.137 0.032 1
1 230 . 9 1 1 A 28 28 LEU H H 28 6.836 7.171 -0.335 1
1 231 . 9 1 1 A 28 28 LEU HA H 28 3.150 2.319 0.831 1
1 241 . 9 1 1 A 28 28 LEU C C 28 177.696 178.160 -0.464 1
1 242 . 9 1 1 A 28 28 LEU CA C 28 57.849 57.471 0.378 1
1 243 . 9 1 1 A 28 28 LEU CB C 28 40.265 41.566 -1.301 1
1 247 . 9 1 1 A 28 28 LEU N N 28 121.952 121.034 0.918 1
1 248 . 9 1 1 A 29 29 HIS H H 29 8.184 8.540 -0.356 1
1 249 . 9 1 1 A 29 29 HIS HA H 29 4.354 4.353 0.001 1
1 254 . 9 1 1 A 29 29 HIS C C 29 178.575 177.284 1.291 1
1 255 . 9 1 1 A 29 29 HIS CA C 29 59.335 59.345 -0.010 1
1 256 . 9 1 1 A 29 29 HIS CB C 29 30.003 29.478 0.525 1
1 259 . 9 1 1 A 29 29 HIS N N 29 118.076 117.264 0.812 1
1 260 . 9 1 1 A 30 30 SER H H 30 7.774 7.722 0.052 1
1 261 . 9 1 1 A 30 30 SER HA H 30 4.114 4.104 0.010 1
1 264 . 9 1 1 A 30 30 SER C C 30 176.995 176.775 0.220 1
1 265 . 9 1 1 A 30 30 SER CA C 30 61.403 60.824 0.579 1
1 266 . 9 1 1 A 30 30 SER CB C 30 62.700 62.986 -0.286 1
1 267 . 9 1 1 A 30 30 SER N N 30 113.416 115.109 -1.693 1
1 268 . 9 1 1 A 31 31 HIS H H 31 7.674 7.619 0.055 1
1 269 . 9 1 1 A 31 31 HIS HA H 31 4.244 4.249 -0.005 1
1 274 . 9 1 1 A 31 31 HIS C C 31 175.921 177.327 -1.406 1
1 275 . 9 1 1 A 31 31 HIS CA C 31 58.808 59.227 -0.419 1
1 276 . 9 1 1 A 31 31 HIS CB C 31 28.456 29.929 -1.473 1
1 279 . 9 1 1 A 31 31 HIS N N 31 121.035 120.923 0.112 1
1 280 . 9 1 1 A 32 32 GLN H H 32 8.120 8.675 -0.555 1
1 281 . 9 1 1 A 32 32 GLN HA H 32 3.662 4.188 -0.526 1
1 288 . 9 1 1 A 32 32 GLN C C 32 177.273 178.587 -1.314 1
1 289 . 9 1 1 A 32 32 GLN CA C 32 59.264 58.848 0.416 1
1 290 . 9 1 1 A 32 32 GLN CB C 32 28.135 28.294 -0.159 1
1 292 . 9 1 1 A 32 32 GLN N N 32 115.343 118.380 -3.037 1
1 294 . 9 1 1 A 33 33 ARG H H 33 7.065 8.060 -0.995 1
1 295 . 9 1 1 A 33 33 ARG HA H 33 4.124 4.238 -0.114 1
1 302 . 9 1 1 A 33 33 ARG C C 33 178.476 178.947 -0.471 1
1 303 . 9 1 1 A 33 33 ARG CA C 33 58.372 58.933 -0.561 1
1 304 . 9 1 1 A 33 33 ARG CB C 33 29.919 29.861 0.058 1
1 307 . 9 1 1 A 33 33 ARG N N 33 117.435 120.271 -2.836 1
1 308 . 9 1 1 A 34 34 VAL H H 34 7.882 7.962 -0.080 1
1 309 . 9 1 1 A 34 34 VAL HA H 34 3.899 3.695 0.204 1
1 317 . 9 1 1 A 34 34 VAL C C 34 177.238 177.643 -0.405 1
1 318 . 9 1 1 A 34 34 VAL CA C 34 63.969 65.292 -1.323 1
1 319 . 9 1 1 A 34 34 VAL CB C 34 31.000 31.181 -0.181 1
1 322 . 9 1 1 A 34 34 VAL N N 34 116.190 116.747 -0.557 1
1 323 . 9 1 1 A 35 35 HIS H H 35 7.203 7.549 -0.346 1
1 324 . 9 1 1 A 35 35 HIS HA H 35 4.877 4.375 0.502 1
1 329 . 9 1 1 A 35 35 HIS C C 35 175.781 176.110 -0.329 1
1 330 . 9 1 1 A 35 35 HIS CA C 35 55.155 59.217 -4.062 1
1 331 . 9 1 1 A 35 35 HIS CB C 35 28.648 30.813 -2.165 1
1 334 . 9 1 1 A 35 35 HIS N N 35 117.199 120.208 -3.009 1
1 335 . 9 1 1 A 36 36 THR H H 36 7.779 7.658 0.121 1
1 336 . 9 1 1 A 36 36 THR HA H 36 4.353 4.316 0.037 1
1 341 . 9 1 1 A 36 36 THR C C 36 175.511 174.591 0.920 1
1 342 . 9 1 1 A 36 36 THR CA C 36 62.495 61.362 1.133 1
1 343 . 9 1 1 A 36 36 THR CB C 36 69.840 68.725 1.115 1
1 345 . 9 1 1 A 36 36 THR N N 36 111.736 109.576 2.160 1
1 346 . 9 1 1 A 37 37 GLY H H 37 8.231 7.615 0.616 1
1 347 . 9 1 1 A 37 37 GLY HA2 H 37 4.026 4.018 0.008 1
1 348 . 9 1 1 A 37 37 GLY HA3 H 37 3.951 4.028 -0.077 1
1 349 . 9 1 1 A 37 37 GLY C C 37 174.029 174.631 -0.602 1
1 350 . 9 1 1 A 37 37 GLY CA C 37 45.277 45.762 -0.485 1
1 351 . 9 1 1 A 37 37 GLY N N 37 110.634 110.525 0.109 1
1 352 . 9 1 1 A 38 38 GLU H H 38 8.089 7.518 0.571 1
1 353 . 9 1 1 A 38 38 GLU HA H 38 4.246 4.417 -0.171 1
1 358 . 9 1 1 A 38 38 GLU C C 38 176.458 175.649 0.809 1
1 359 . 9 1 1 A 38 38 GLU CA C 38 56.489 55.272 1.217 1
1 360 . 9 1 1 A 38 38 GLU CB C 38 30.515 28.167 2.348 1
1 362 . 9 1 1 A 38 38 GLU N N 38 120.563 121.136 -0.573 1
1 363 . 9 1 1 A 39 39 LYS H H 39 8.395 7.253 1.142 1
1 364 . 9 1 1 A 39 39 LYS HA H 39 4.604 4.447 0.157 1
1 373 . 9 1 1 A 39 39 LYS C C 39 174.345 176.092 -1.747 1
1 374 . 9 1 1 A 39 39 LYS CA C 39 54.144 55.389 -1.245 1
1 375 . 9 1 1 A 39 39 LYS CB C 39 32.504 32.411 0.093 1
1 379 . 9 1 1 A 39 39 LYS N N 39 123.827 118.753 5.074 1
1 380 . 9 1 1 A 40 40 PRO HA H 40 4.456 4.413 0.043 1
1 387 . 9 1 1 A 40 40 PRO CA C 40 63.186 62.569 0.617 1
1 388 . 9 1 1 A 40 40 PRO CB C 40 32.177 32.637 -0.460 1
1 391 . 9 1 1 A 41 41 SER H H 41 8.483 8.621 -0.138 1
1 392 . 9 1 1 A 41 41 SER HA H 41 4.453 3.976 0.477 1
1 395 . 9 1 1 A 41 41 SER CA C 41 58.591 59.134 -0.543 1
1 396 . 9 1 1 A 41 41 SER CB C 41 63.944 62.029 1.915 1
1 397 . 9 1 1 A 41 41 SER N N 41 116.550 111.713 4.837 1
1 398 . 9 1 1 A 42 42 GLY H H 42 8.230 8.135 0.095 1
1 399 . 9 1 1 A 42 42 GLY HA2 H 42 4.159 4.122 0.037 1
1 400 . 9 1 1 A 42 42 GLY HA3 H 42 4.111 4.122 -0.011 1
1 401 . 9 1 1 A 42 42 GLY CA C 42 44.656 45.372 -0.716 1
1 402 . 9 1 1 A 42 42 GLY N N 42 110.653 108.080 2.573 1
1 403 . 9 1 1 A 43 43 PRO HA H 43 4.466 4.629 -0.163 1
1 410 . 9 1 1 A 43 43 PRO CA C 43 63.318 62.658 0.660 1
1 411 . 9 1 1 A 43 43 PRO CB C 43 32.206 31.636 0.570 1
1 414 . 9 1 1 A 44 44 SER H H 44 8.485 8.628 -0.143 1
1 1 . 10 1 1 A 9 9 GLY H H 9 8.233 8.386 -0.153 1
1 2 . 10 1 1 A 9 9 GLY HA2 H 9 4.025 4.261 -0.236 1
1 3 . 10 1 1 A 9 9 GLY HA3 H 9 3.948 4.262 -0.314 1
1 4 . 10 1 1 A 9 9 GLY C C 9 174.022 172.130 1.892 1
1 5 . 10 1 1 A 9 9 GLY CA C 9 45.367 46.116 -0.749 1
1 6 . 10 1 1 A 9 9 GLY N N 9 110.543 113.105 -2.562 1
1 7 . 10 1 1 A 10 10 GLU H H 10 8.175 8.848 -0.673 1
1 8 . 10 1 1 A 10 10 GLU HA H 10 4.187 5.308 -1.121 1
1 13 . 10 1 1 A 10 10 GLU C C 10 176.220 174.580 1.640 1
1 14 . 10 1 1 A 10 10 GLU CA C 10 56.730 54.645 2.085 1
1 15 . 10 1 1 A 10 10 GLU CB C 10 30.395 33.453 -3.058 1
1 17 . 10 1 1 A 10 10 GLU N N 10 120.194 120.001 0.193 1
1 18 . 10 1 1 A 11 11 LYS H H 11 8.391 8.581 -0.190 1
1 19 . 10 1 1 A 11 11 LYS HA H 11 4.528 4.995 -0.467 1
1 28 . 10 1 1 A 11 11 LYS C C 11 174.468 175.748 -1.280 1
1 29 . 10 1 1 A 11 11 LYS CA C 11 54.112 52.755 1.357 1
1 30 . 10 1 1 A 11 11 LYS CB C 11 33.635 35.420 -1.785 1
1 34 . 10 1 1 A 11 11 LYS N N 11 121.933 122.079 -0.146 1
1 35 . 10 1 1 A 12 12 PRO HA H 12 4.229 4.413 -0.184 1
1 42 . 10 1 1 A 12 12 PRO C C 12 176.420 176.084 0.336 1
1 43 . 10 1 1 A 12 12 PRO CA C 12 63.948 64.305 -0.357 1
1 44 . 10 1 1 A 12 12 PRO CB C 12 32.366 31.641 0.725 1
1 47 . 10 1 1 A 13 13 PHE H H 13 7.694 7.271 0.423 1
1 48 . 10 1 1 A 13 13 PHE HA H 13 4.700 5.113 -0.413 1
1 56 . 10 1 1 A 13 13 PHE C C 13 174.071 174.472 -0.401 1
1 57 . 10 1 1 A 13 13 PHE CA C 13 57.784 57.258 0.526 1
1 58 . 10 1 1 A 13 13 PHE CB C 13 39.605 41.709 -2.104 1
1 64 . 10 1 1 A 13 13 PHE N N 13 117.427 118.400 -0.973 1
1 65 . 10 1 1 A 14 14 LYS H H 14 8.784 8.910 -0.126 1
1 66 . 10 1 1 A 14 14 LYS HA H 14 4.976 5.330 -0.354 1
1 75 . 10 1 1 A 14 14 LYS C C 14 174.467 174.868 -0.401 1
1 76 . 10 1 1 A 14 14 LYS CA C 14 54.862 55.159 -0.297 1
1 77 . 10 1 1 A 14 14 LYS CB C 14 36.253 36.463 -0.210 1
1 81 . 10 1 1 A 14 14 LYS N N 14 125.268 121.853 3.415 1
1 82 . 10 1 1 A 15 15 CYS H H 15 9.301 9.092 0.209 1
1 83 . 10 1 1 A 15 15 CYS HA H 15 4.615 4.622 -0.007 1
1 86 . 10 1 1 A 15 15 CYS C C 15 177.056 175.785 1.271 1
1 87 . 10 1 1 A 15 15 CYS CA C 15 59.312 59.015 0.297 1
1 88 . 10 1 1 A 15 15 CYS CB C 15 29.488 27.620 1.868 1
1 89 . 10 1 1 A 15 15 CYS N N 15 128.099 125.350 2.749 1
1 90 . 10 1 1 A 16 16 GLU H H 16 9.566 8.804 0.762 1
1 91 . 10 1 1 A 16 16 GLU HA H 16 4.132 4.106 0.026 1
1 96 . 10 1 1 A 16 16 GLU C C 16 177.004 178.499 -1.495 1
1 97 . 10 1 1 A 16 16 GLU CA C 16 58.483 59.209 -0.726 1
1 98 . 10 1 1 A 16 16 GLU CB C 16 29.405 29.307 0.098 1
1 100 . 10 1 1 A 16 16 GLU N N 16 132.079 127.467 4.612 1
1 101 . 10 1 1 A 17 17 GLU H H 17 8.515 8.348 0.167 1
1 102 . 10 1 1 A 17 17 GLU HA H 17 4.166 3.890 0.276 1
1 107 . 10 1 1 A 17 17 GLU C C 17 177.263 178.327 -1.064 1
1 108 . 10 1 1 A 17 17 GLU CA C 17 58.536 58.531 0.005 1
1 109 . 10 1 1 A 17 17 GLU CB C 17 29.369 28.265 1.104 1
1 111 . 10 1 1 A 17 17 GLU N N 17 119.982 120.478 -0.496 1
1 112 . 10 1 1 A 18 18 CYS H H 18 7.938 7.872 0.066 1
1 113 . 10 1 1 A 18 18 CYS HA H 18 5.196 4.771 0.425 1
1 116 . 10 1 1 A 18 18 CYS C C 18 176.278 175.623 0.655 1
1 117 . 10 1 1 A 18 18 CYS CA C 18 58.263 59.488 -1.225 1
1 118 . 10 1 1 A 18 18 CYS CB C 18 32.587 30.135 2.452 1
1 119 . 10 1 1 A 18 18 CYS N N 18 114.272 114.608 -0.336 1
1 120 . 10 1 1 A 19 19 GLY H H 19 8.314 8.351 -0.037 1
1 121 . 10 1 1 A 19 19 GLY HA2 H 19 4.268 4.093 0.175 1
1 122 . 10 1 1 A 19 19 GLY HA3 H 19 3.673 4.101 -0.428 1
1 123 . 10 1 1 A 19 19 GLY C C 19 173.616 174.738 -1.122 1
1 124 . 10 1 1 A 19 19 GLY CA C 19 46.257 44.997 1.260 1
1 125 . 10 1 1 A 19 19 GLY N N 19 114.021 109.867 4.154 1
1 126 . 10 1 1 A 20 20 LYS H H 20 7.978 7.284 0.694 1
1 127 . 10 1 1 A 20 20 LYS HA H 20 3.931 4.264 -0.333 1
1 136 . 10 1 1 A 20 20 LYS C C 20 174.188 175.094 -0.906 1
1 137 . 10 1 1 A 20 20 LYS CA C 20 58.366 56.257 2.109 1
1 138 . 10 1 1 A 20 20 LYS CB C 20 33.708 34.148 -0.440 1
1 142 . 10 1 1 A 20 20 LYS N N 20 122.893 120.265 2.628 1
1 143 . 10 1 1 A 21 21 ARG H H 21 7.701 7.963 -0.262 1
1 144 . 10 1 1 A 21 21 ARG HA H 21 5.225 5.435 -0.210 1
1 151 . 10 1 1 A 21 21 ARG C C 21 175.407 174.437 0.970 1
1 152 . 10 1 1 A 21 21 ARG CA C 21 54.329 54.127 0.202 1
1 153 . 10 1 1 A 21 21 ARG CB C 21 33.812 34.735 -0.923 1
1 156 . 10 1 1 A 21 21 ARG N N 21 118.953 118.506 0.447 1
1 157 . 10 1 1 A 22 22 PHE H H 22 8.809 8.819 -0.010 1
1 158 . 10 1 1 A 22 22 PHE HA H 22 4.843 4.878 -0.035 1
1 166 . 10 1 1 A 22 22 PHE C C 22 175.443 175.579 -0.136 1
1 167 . 10 1 1 A 22 22 PHE CA C 22 57.033 57.033 0.000 1
1 168 . 10 1 1 A 22 22 PHE CB C 22 43.947 43.069 0.878 1
1 174 . 10 1 1 A 22 22 PHE N N 22 116.286 119.204 -2.918 1
1 175 . 10 1 1 A 23 23 THR H H 23 8.980 8.747 0.233 1
1 176 . 10 1 1 A 23 23 THR HA H 23 4.463 4.480 -0.017 1
1 181 . 10 1 1 A 23 23 THR C C 23 174.420 174.147 0.273 1
1 182 . 10 1 1 A 23 23 THR CA C 23 64.989 63.604 1.385 1
1 183 . 10 1 1 A 23 23 THR CB C 23 69.648 69.863 -0.215 1
1 185 . 10 1 1 A 23 23 THR N N 23 114.709 117.199 -2.490 1
1 186 . 10 1 1 A 24 24 GLN H H 24 7.526 7.545 -0.019 1
1 187 . 10 1 1 A 24 24 GLN HA H 24 4.809 4.335 0.474 1
1 194 . 10 1 1 A 24 24 GLN C C 24 176.247 175.032 1.215 1
1 195 . 10 1 1 A 24 24 GLN CA C 24 53.833 53.595 0.238 1
1 196 . 10 1 1 A 24 24 GLN CB C 24 32.628 32.747 -0.119 1
1 198 . 10 1 1 A 24 24 GLN N N 24 115.299 118.521 -3.222 1
1 200 . 10 1 1 A 25 25 ASN HA H 25 3.359 3.697 -0.338 1
1 205 . 10 1 1 A 25 25 ASN CA C 25 55.668 55.499 0.169 1
1 206 . 10 1 1 A 25 25 ASN CB C 25 37.930 37.130 0.800 1
1 207 . 10 1 1 A 25 25 ASN N N 25 119.000 119.472 -0.472 1
1 209 . 10 1 1 A 26 26 SER HA H 26 4.003 4.007 -0.004 1
1 212 . 10 1 1 A 26 26 SER C C 26 177.207 176.263 0.944 1
1 213 . 10 1 1 A 26 26 SER CA C 26 60.851 61.558 -0.707 1
1 214 . 10 1 1 A 26 26 SER CB C 26 61.368 63.006 -1.638 1
1 215 . 10 1 1 A 26 26 SER N N 26 118.833 115.422 3.411 1
1 216 . 10 1 1 A 27 27 GLN H H 27 6.685 7.506 -0.821 1
1 217 . 10 1 1 A 27 27 GLN HA H 27 4.060 3.902 0.158 1
1 224 . 10 1 1 A 27 27 GLN C C 27 178.447 177.671 0.776 1
1 225 . 10 1 1 A 27 27 GLN CA C 27 57.550 58.682 -1.132 1
1 226 . 10 1 1 A 27 27 GLN CB C 27 28.617 28.339 0.278 1
1 228 . 10 1 1 A 27 27 GLN N N 27 121.169 121.085 0.084 1
1 230 . 10 1 1 A 28 28 LEU H H 28 6.836 7.145 -0.309 1
1 231 . 10 1 1 A 28 28 LEU HA H 28 3.150 2.185 0.965 1
1 241 . 10 1 1 A 28 28 LEU C C 28 177.696 178.181 -0.485 1
1 242 . 10 1 1 A 28 28 LEU CA C 28 57.849 57.389 0.460 1
1 243 . 10 1 1 A 28 28 LEU CB C 28 40.265 41.541 -1.276 1
1 247 . 10 1 1 A 28 28 LEU N N 28 121.952 121.027 0.925 1
1 248 . 10 1 1 A 29 29 HIS H H 29 8.184 8.628 -0.444 1
1 249 . 10 1 1 A 29 29 HIS HA H 29 4.354 4.304 0.050 1
1 254 . 10 1 1 A 29 29 HIS C C 29 178.575 177.233 1.342 1
1 255 . 10 1 1 A 29 29 HIS CA C 29 59.335 59.338 -0.003 1
1 256 . 10 1 1 A 29 29 HIS CB C 29 30.003 29.444 0.559 1
1 259 . 10 1 1 A 29 29 HIS N N 29 118.076 117.538 0.538 1
1 260 . 10 1 1 A 30 30 SER H H 30 7.774 7.582 0.192 1
1 261 . 10 1 1 A 30 30 SER HA H 30 4.114 4.125 -0.011 1
1 264 . 10 1 1 A 30 30 SER C C 30 176.995 176.759 0.236 1
1 265 . 10 1 1 A 30 30 SER CA C 30 61.403 60.972 0.431 1
1 266 . 10 1 1 A 30 30 SER CB C 30 62.700 62.996 -0.296 1
1 267 . 10 1 1 A 30 30 SER N N 30 113.416 114.731 -1.315 1
1 268 . 10 1 1 A 31 31 HIS H H 31 7.674 7.660 0.014 1
1 269 . 10 1 1 A 31 31 HIS HA H 31 4.244 4.285 -0.041 1
1 274 . 10 1 1 A 31 31 HIS C C 31 175.921 177.346 -1.425 1
1 275 . 10 1 1 A 31 31 HIS CA C 31 58.808 59.095 -0.287 1
1 276 . 10 1 1 A 31 31 HIS CB C 31 28.456 29.941 -1.485 1
1 279 . 10 1 1 A 31 31 HIS N N 31 121.035 120.621 0.414 1
1 280 . 10 1 1 A 32 32 GLN H H 32 8.120 8.659 -0.539 1
1 281 . 10 1 1 A 32 32 GLN HA H 32 3.662 4.182 -0.520 1
1 288 . 10 1 1 A 32 32 GLN C C 32 177.273 178.585 -1.312 1
1 289 . 10 1 1 A 32 32 GLN CA C 32 59.264 58.939 0.325 1
1 290 . 10 1 1 A 32 32 GLN CB C 32 28.135 28.377 -0.242 1
1 292 . 10 1 1 A 32 32 GLN N N 32 115.343 118.674 -3.331 1
1 294 . 10 1 1 A 33 33 ARG H H 33 7.065 7.984 -0.919 1
1 295 . 10 1 1 A 33 33 ARG HA H 33 4.124 4.057 0.067 1
1 302 . 10 1 1 A 33 33 ARG C C 33 178.476 179.050 -0.574 1
1 303 . 10 1 1 A 33 33 ARG CA C 33 58.372 58.880 -0.508 1
1 304 . 10 1 1 A 33 33 ARG CB C 33 29.919 29.675 0.244 1
1 307 . 10 1 1 A 33 33 ARG N N 33 117.435 120.415 -2.980 1
1 308 . 10 1 1 A 34 34 VAL H H 34 7.882 7.975 -0.093 1
1 309 . 10 1 1 A 34 34 VAL HA H 34 3.899 3.698 0.201 1
1 317 . 10 1 1 A 34 34 VAL C C 34 177.238 177.574 -0.336 1
1 318 . 10 1 1 A 34 34 VAL CA C 34 63.969 65.289 -1.320 1
1 319 . 10 1 1 A 34 34 VAL CB C 34 31.000 31.169 -0.169 1
1 322 . 10 1 1 A 34 34 VAL N N 34 116.190 116.754 -0.564 1
1 323 . 10 1 1 A 35 35 HIS H H 35 7.203 8.002 -0.799 1
1 324 . 10 1 1 A 35 35 HIS HA H 35 4.877 4.332 0.545 1
1 329 . 10 1 1 A 35 35 HIS C C 35 175.781 176.562 -0.781 1
1 330 . 10 1 1 A 35 35 HIS CA C 35 55.155 59.115 -3.960 1
1 331 . 10 1 1 A 35 35 HIS CB C 35 28.648 29.812 -1.164 1
1 334 . 10 1 1 A 35 35 HIS N N 35 117.199 120.308 -3.109 1
1 335 . 10 1 1 A 36 36 THR H H 36 7.779 7.769 0.010 1
1 336 . 10 1 1 A 36 36 THR HA H 36 4.353 4.105 0.248 1
1 341 . 10 1 1 A 36 36 THR C C 36 175.511 176.750 -1.239 1
1 342 . 10 1 1 A 36 36 THR CA C 36 62.495 64.589 -2.094 1
1 343 . 10 1 1 A 36 36 THR CB C 36 69.840 68.622 1.218 1
1 345 . 10 1 1 A 36 36 THR N N 36 111.736 111.069 0.667 1
1 346 . 10 1 1 A 37 37 GLY H H 37 8.231 8.392 -0.161 1
1 347 . 10 1 1 A 37 37 GLY HA2 H 37 4.026 3.703 0.323 1
1 348 . 10 1 1 A 37 37 GLY HA3 H 37 3.951 3.712 0.239 1
1 349 . 10 1 1 A 37 37 GLY C C 37 174.029 174.358 -0.329 1
1 350 . 10 1 1 A 37 37 GLY CA C 37 45.277 46.909 -1.632 1
1 351 . 10 1 1 A 37 37 GLY N N 37 110.634 110.498 0.136 1
1 352 . 10 1 1 A 38 38 GLU H H 38 8.089 7.834 0.255 1
1 353 . 10 1 1 A 38 38 GLU HA H 38 4.246 4.691 -0.445 1
1 358 . 10 1 1 A 38 38 GLU C C 38 176.458 176.126 0.332 1
1 359 . 10 1 1 A 38 38 GLU CA C 38 56.489 55.895 0.594 1
1 360 . 10 1 1 A 38 38 GLU CB C 38 30.515 30.964 -0.449 1
1 362 . 10 1 1 A 38 38 GLU N N 38 120.563 117.150 3.413 1
1 363 . 10 1 1 A 39 39 LYS H H 39 8.395 8.952 -0.557 1
1 364 . 10 1 1 A 39 39 LYS HA H 39 4.604 4.917 -0.313 1
1 373 . 10 1 1 A 39 39 LYS C C 39 174.345 174.714 -0.369 1
1 374 . 10 1 1 A 39 39 LYS CA C 39 54.144 53.547 0.597 1
1 375 . 10 1 1 A 39 39 LYS CB C 39 32.504 34.587 -2.083 1
1 379 . 10 1 1 A 39 39 LYS N N 39 123.827 120.912 2.915 1
1 380 . 10 1 1 A 40 40 PRO HA H 40 4.456 4.713 -0.257 1
1 387 . 10 1 1 A 40 40 PRO CA C 40 63.186 62.784 0.402 1
1 388 . 10 1 1 A 40 40 PRO CB C 40 32.177 33.697 -1.520 1
1 391 . 10 1 1 A 41 41 SER H H 41 8.483 8.682 -0.199 1
1 392 . 10 1 1 A 41 41 SER HA H 41 4.453 4.368 0.085 1
1 395 . 10 1 1 A 41 41 SER CA C 41 58.591 61.743 -3.152 1
1 396 . 10 1 1 A 41 41 SER CB C 41 63.944 63.425 0.519 1
1 397 . 10 1 1 A 41 41 SER N N 41 116.550 115.717 0.833 1
1 398 . 10 1 1 A 42 42 GLY H H 42 8.230 7.863 0.367 1
1 399 . 10 1 1 A 42 42 GLY HA2 H 42 4.159 4.120 0.039 1
1 400 . 10 1 1 A 42 42 GLY HA3 H 42 4.111 4.123 -0.012 1
1 401 . 10 1 1 A 42 42 GLY CA C 42 44.656 44.432 0.224 1
1 402 . 10 1 1 A 42 42 GLY N N 42 110.653 108.984 1.669 1
1 403 . 10 1 1 A 43 43 PRO HA H 43 4.466 4.482 -0.016 1
1 410 . 10 1 1 A 43 43 PRO CA C 43 63.318 62.855 0.463 1
1 411 . 10 1 1 A 43 43 PRO CB C 43 32.206 31.991 0.215 1
1 414 . 10 1 1 A 44 44 SER H H 44 8.485 8.386 0.099 1
1 1 . 11 1 1 A 9 9 GLY H H 9 8.233 7.828 0.405 1
1 2 . 11 1 1 A 9 9 GLY HA2 H 9 4.025 4.039 -0.014 1
1 3 . 11 1 1 A 9 9 GLY HA3 H 9 3.948 4.042 -0.094 1
1 4 . 11 1 1 A 9 9 GLY C C 9 174.022 173.980 0.042 1
1 5 . 11 1 1 A 9 9 GLY CA C 9 45.367 44.972 0.395 1
1 6 . 11 1 1 A 9 9 GLY N N 9 110.543 109.229 1.314 1
1 7 . 11 1 1 A 10 10 GLU H H 10 8.175 8.824 -0.649 1
1 8 . 11 1 1 A 10 10 GLU HA H 10 4.187 4.468 -0.281 1
1 13 . 11 1 1 A 10 10 GLU C C 10 176.220 176.059 0.161 1
1 14 . 11 1 1 A 10 10 GLU CA C 10 56.730 56.097 0.633 1
1 15 . 11 1 1 A 10 10 GLU CB C 10 30.395 30.444 -0.049 1
1 17 . 11 1 1 A 10 10 GLU N N 10 120.194 124.012 -3.818 1
1 18 . 11 1 1 A 11 11 LYS H H 11 8.391 8.902 -0.511 1
1 19 . 11 1 1 A 11 11 LYS HA H 11 4.528 4.908 -0.380 1
1 28 . 11 1 1 A 11 11 LYS C C 11 174.468 175.994 -1.526 1
1 29 . 11 1 1 A 11 11 LYS CA C 11 54.112 52.222 1.890 1
1 30 . 11 1 1 A 11 11 LYS CB C 11 33.635 33.373 0.262 1
1 34 . 11 1 1 A 11 11 LYS N N 11 121.933 124.996 -3.063 1
1 35 . 11 1 1 A 12 12 PRO HA H 12 4.229 4.408 -0.179 1
1 42 . 11 1 1 A 12 12 PRO C C 12 176.420 176.083 0.337 1
1 43 . 11 1 1 A 12 12 PRO CA C 12 63.948 64.392 -0.444 1
1 44 . 11 1 1 A 12 12 PRO CB C 12 32.366 31.758 0.608 1
1 47 . 11 1 1 A 13 13 PHE H H 13 7.694 7.362 0.332 1
1 48 . 11 1 1 A 13 13 PHE HA H 13 4.700 5.067 -0.367 1
1 56 . 11 1 1 A 13 13 PHE C C 13 174.071 174.581 -0.510 1
1 57 . 11 1 1 A 13 13 PHE CA C 13 57.784 57.334 0.450 1
1 58 . 11 1 1 A 13 13 PHE CB C 13 39.605 41.561 -1.956 1
1 64 . 11 1 1 A 13 13 PHE N N 13 117.427 118.369 -0.942 1
1 65 . 11 1 1 A 14 14 LYS H H 14 8.784 8.924 -0.140 1
1 66 . 11 1 1 A 14 14 LYS HA H 14 4.976 5.316 -0.340 1
1 75 . 11 1 1 A 14 14 LYS C C 14 174.467 174.900 -0.433 1
1 76 . 11 1 1 A 14 14 LYS CA C 14 54.862 55.151 -0.289 1
1 77 . 11 1 1 A 14 14 LYS CB C 14 36.253 36.382 -0.129 1
1 81 . 11 1 1 A 14 14 LYS N N 14 125.268 121.738 3.530 1
1 82 . 11 1 1 A 15 15 CYS H H 15 9.301 9.258 0.043 1
1 83 . 11 1 1 A 15 15 CYS HA H 15 4.615 4.674 -0.059 1
1 86 . 11 1 1 A 15 15 CYS C C 15 177.056 175.926 1.130 1
1 87 . 11 1 1 A 15 15 CYS CA C 15 59.312 59.151 0.161 1
1 88 . 11 1 1 A 15 15 CYS CB C 15 29.488 27.894 1.594 1
1 89 . 11 1 1 A 15 15 CYS N N 15 128.099 125.349 2.750 1
1 90 . 11 1 1 A 16 16 GLU H H 16 9.566 8.884 0.682 1
1 91 . 11 1 1 A 16 16 GLU HA H 16 4.132 4.107 0.025 1
1 96 . 11 1 1 A 16 16 GLU C C 16 177.004 178.516 -1.512 1
1 97 . 11 1 1 A 16 16 GLU CA C 16 58.483 59.280 -0.797 1
1 98 . 11 1 1 A 16 16 GLU CB C 16 29.405 29.296 0.109 1
1 100 . 11 1 1 A 16 16 GLU N N 16 132.079 127.549 4.530 1
1 101 . 11 1 1 A 17 17 GLU H H 17 8.515 8.385 0.130 1
1 102 . 11 1 1 A 17 17 GLU HA H 17 4.166 3.909 0.257 1
1 107 . 11 1 1 A 17 17 GLU C C 17 177.263 178.307 -1.044 1
1 108 . 11 1 1 A 17 17 GLU CA C 17 58.536 58.583 -0.047 1
1 109 . 11 1 1 A 17 17 GLU CB C 17 29.369 28.386 0.983 1
1 111 . 11 1 1 A 17 17 GLU N N 17 119.982 120.534 -0.552 1
1 112 . 11 1 1 A 18 18 CYS H H 18 7.938 7.884 0.054 1
1 113 . 11 1 1 A 18 18 CYS HA H 18 5.196 4.737 0.459 1
1 116 . 11 1 1 A 18 18 CYS C C 18 176.278 175.570 0.708 1
1 117 . 11 1 1 A 18 18 CYS CA C 18 58.263 59.465 -1.202 1
1 118 . 11 1 1 A 18 18 CYS CB C 18 32.587 30.117 2.470 1
1 119 . 11 1 1 A 18 18 CYS N N 18 114.272 114.712 -0.440 1
1 120 . 11 1 1 A 19 19 GLY H H 19 8.314 8.228 0.086 1
1 121 . 11 1 1 A 19 19 GLY HA2 H 19 4.268 4.093 0.175 1
1 122 . 11 1 1 A 19 19 GLY HA3 H 19 3.673 4.104 -0.431 1
1 123 . 11 1 1 A 19 19 GLY C C 19 173.616 174.591 -0.975 1
1 124 . 11 1 1 A 19 19 GLY CA C 19 46.257 44.940 1.317 1
1 125 . 11 1 1 A 19 19 GLY N N 19 114.021 109.869 4.152 1
1 126 . 11 1 1 A 20 20 LYS H H 20 7.978 7.335 0.643 1
1 127 . 11 1 1 A 20 20 LYS HA H 20 3.931 4.257 -0.326 1
1 136 . 11 1 1 A 20 20 LYS C C 20 174.188 175.098 -0.910 1
1 137 . 11 1 1 A 20 20 LYS CA C 20 58.366 56.345 2.021 1
1 138 . 11 1 1 A 20 20 LYS CB C 20 33.708 34.093 -0.385 1
1 142 . 11 1 1 A 20 20 LYS N N 20 122.893 120.298 2.595 1
1 143 . 11 1 1 A 21 21 ARG H H 21 7.701 7.963 -0.262 1
1 144 . 11 1 1 A 21 21 ARG HA H 21 5.225 5.355 -0.130 1
1 151 . 11 1 1 A 21 21 ARG C C 21 175.407 174.444 0.963 1
1 152 . 11 1 1 A 21 21 ARG CA C 21 54.329 54.198 0.131 1
1 153 . 11 1 1 A 21 21 ARG CB C 21 33.812 34.542 -0.730 1
1 156 . 11 1 1 A 21 21 ARG N N 21 118.953 118.499 0.454 1
1 157 . 11 1 1 A 22 22 PHE H H 22 8.809 8.905 -0.096 1
1 158 . 11 1 1 A 22 22 PHE HA H 22 4.843 4.903 -0.060 1
1 166 . 11 1 1 A 22 22 PHE C C 22 175.443 175.565 -0.122 1
1 167 . 11 1 1 A 22 22 PHE CA C 22 57.033 56.978 0.055 1
1 168 . 11 1 1 A 22 22 PHE CB C 22 43.947 43.033 0.914 1
1 174 . 11 1 1 A 22 22 PHE N N 22 116.286 119.576 -3.290 1
1 175 . 11 1 1 A 23 23 THR H H 23 8.980 8.743 0.237 1
1 176 . 11 1 1 A 23 23 THR HA H 23 4.463 4.495 -0.032 1
1 181 . 11 1 1 A 23 23 THR C C 23 174.420 174.098 0.322 1
1 182 . 11 1 1 A 23 23 THR CA C 23 64.989 63.608 1.381 1
1 183 . 11 1 1 A 23 23 THR CB C 23 69.648 69.874 -0.226 1
1 185 . 11 1 1 A 23 23 THR N N 23 114.709 117.253 -2.544 1
1 186 . 11 1 1 A 24 24 GLN H H 24 7.526 7.636 -0.110 1
1 187 . 11 1 1 A 24 24 GLN HA H 24 4.809 4.393 0.416 1
1 194 . 11 1 1 A 24 24 GLN C C 24 176.247 175.306 0.941 1
1 195 . 11 1 1 A 24 24 GLN CA C 24 53.833 54.404 -0.571 1
1 196 . 11 1 1 A 24 24 GLN CB C 24 32.628 31.784 0.844 1
1 198 . 11 1 1 A 24 24 GLN N N 24 115.299 118.650 -3.351 1
1 200 . 11 1 1 A 25 25 ASN HA H 25 3.359 3.556 -0.197 1
1 205 . 11 1 1 A 25 25 ASN CA C 25 55.668 55.364 0.304 1
1 206 . 11 1 1 A 25 25 ASN CB C 25 37.930 36.857 1.073 1
1 207 . 11 1 1 A 25 25 ASN N N 25 119.000 120.055 -1.055 1
1 209 . 11 1 1 A 26 26 SER HA H 26 4.003 3.880 0.123 1
1 212 . 11 1 1 A 26 26 SER C C 26 177.207 176.887 0.320 1
1 213 . 11 1 1 A 26 26 SER CA C 26 60.851 61.206 -0.355 1
1 214 . 11 1 1 A 26 26 SER CB C 26 61.368 62.858 -1.490 1
1 215 . 11 1 1 A 26 26 SER N N 26 118.833 114.217 4.616 1
1 216 . 11 1 1 A 27 27 GLN H H 27 6.685 7.496 -0.811 1
1 217 . 11 1 1 A 27 27 GLN HA H 27 4.060 3.880 0.180 1
1 224 . 11 1 1 A 27 27 GLN C C 27 178.447 177.661 0.786 1
1 225 . 11 1 1 A 27 27 GLN CA C 27 57.550 58.662 -1.112 1
1 226 . 11 1 1 A 27 27 GLN CB C 27 28.617 28.321 0.296 1
1 228 . 11 1 1 A 27 27 GLN N N 27 121.169 121.520 -0.351 1
1 230 . 11 1 1 A 28 28 LEU H H 28 6.836 7.248 -0.412 1
1 231 . 11 1 1 A 28 28 LEU HA H 28 3.150 2.455 0.695 1
1 241 . 11 1 1 A 28 28 LEU C C 28 177.696 178.284 -0.588 1
1 242 . 11 1 1 A 28 28 LEU CA C 28 57.849 57.575 0.274 1
1 243 . 11 1 1 A 28 28 LEU CB C 28 40.265 41.646 -1.381 1
1 247 . 11 1 1 A 28 28 LEU N N 28 121.952 121.046 0.906 1
1 248 . 11 1 1 A 29 29 HIS H H 29 8.184 8.727 -0.543 1
1 249 . 11 1 1 A 29 29 HIS HA H 29 4.354 4.323 0.031 1
1 254 . 11 1 1 A 29 29 HIS C C 29 178.575 178.039 0.536 1
1 255 . 11 1 1 A 29 29 HIS CA C 29 59.335 59.323 0.012 1
1 256 . 11 1 1 A 29 29 HIS CB C 29 30.003 29.508 0.495 1
1 259 . 11 1 1 A 29 29 HIS N N 29 118.076 117.597 0.479 1
1 260 . 11 1 1 A 30 30 SER H H 30 7.774 7.825 -0.051 1
1 261 . 11 1 1 A 30 30 SER HA H 30 4.114 4.160 -0.046 1
1 264 . 11 1 1 A 30 30 SER C C 30 176.995 176.364 0.631 1
1 265 . 11 1 1 A 30 30 SER CA C 30 61.403 61.401 0.002 1
1 266 . 11 1 1 A 30 30 SER CB C 30 62.700 63.397 -0.697 1
1 267 . 11 1 1 A 30 30 SER N N 30 113.416 115.756 -2.340 1
1 268 . 11 1 1 A 31 31 HIS H H 31 7.674 7.561 0.113 1
1 269 . 11 1 1 A 31 31 HIS HA H 31 4.244 4.262 -0.018 1
1 274 . 11 1 1 A 31 31 HIS C C 31 175.921 177.438 -1.517 1
1 275 . 11 1 1 A 31 31 HIS CA C 31 58.808 59.275 -0.467 1
1 276 . 11 1 1 A 31 31 HIS CB C 31 28.456 29.976 -1.520 1
1 279 . 11 1 1 A 31 31 HIS N N 31 121.035 121.434 -0.399 1
1 280 . 11 1 1 A 32 32 GLN H H 32 8.120 8.657 -0.537 1
1 281 . 11 1 1 A 32 32 GLN HA H 32 3.662 4.275 -0.613 1
1 288 . 11 1 1 A 32 32 GLN C C 32 177.273 178.700 -1.427 1
1 289 . 11 1 1 A 32 32 GLN CA C 32 59.264 58.895 0.369 1
1 290 . 11 1 1 A 32 32 GLN CB C 32 28.135 28.334 -0.199 1
1 292 . 11 1 1 A 32 32 GLN N N 32 115.343 118.652 -3.309 1
1 294 . 11 1 1 A 33 33 ARG H H 33 7.065 7.919 -0.854 1
1 295 . 11 1 1 A 33 33 ARG HA H 33 4.124 4.253 -0.129 1
1 302 . 11 1 1 A 33 33 ARG C C 33 178.476 179.062 -0.586 1
1 303 . 11 1 1 A 33 33 ARG CA C 33 58.372 58.806 -0.434 1
1 304 . 11 1 1 A 33 33 ARG CB C 33 29.919 29.786 0.133 1
1 307 . 11 1 1 A 33 33 ARG N N 33 117.435 120.308 -2.873 1
1 308 . 11 1 1 A 34 34 VAL H H 34 7.882 7.893 -0.011 1
1 309 . 11 1 1 A 34 34 VAL HA H 34 3.899 3.720 0.179 1
1 317 . 11 1 1 A 34 34 VAL C C 34 177.238 177.449 -0.211 1
1 318 . 11 1 1 A 34 34 VAL CA C 34 63.969 65.274 -1.305 1
1 319 . 11 1 1 A 34 34 VAL CB C 34 31.000 31.201 -0.201 1
1 322 . 11 1 1 A 34 34 VAL N N 34 116.190 116.967 -0.777 1
1 323 . 11 1 1 A 35 35 HIS H H 35 7.203 7.697 -0.494 1
1 324 . 11 1 1 A 35 35 HIS HA H 35 4.877 4.447 0.430 1
1 329 . 11 1 1 A 35 35 HIS C C 35 175.781 176.108 -0.327 1
1 330 . 11 1 1 A 35 35 HIS CA C 35 55.155 58.622 -3.467 1
1 331 . 11 1 1 A 35 35 HIS CB C 35 28.648 31.048 -2.400 1
1 334 . 11 1 1 A 35 35 HIS N N 35 117.199 119.819 -2.620 1
1 335 . 11 1 1 A 36 36 THR H H 36 7.779 7.385 0.394 1
1 336 . 11 1 1 A 36 36 THR HA H 36 4.353 4.306 0.047 1
1 341 . 11 1 1 A 36 36 THR C C 36 175.511 174.394 1.117 1
1 342 . 11 1 1 A 36 36 THR CA C 36 62.495 61.573 0.922 1
1 343 . 11 1 1 A 36 36 THR CB C 36 69.840 68.631 1.209 1
1 345 . 11 1 1 A 36 36 THR N N 36 111.736 111.161 0.575 1
1 346 . 11 1 1 A 37 37 GLY H H 37 8.231 7.858 0.373 1
1 347 . 11 1 1 A 37 37 GLY HA2 H 37 4.026 3.989 0.037 1
1 348 . 11 1 1 A 37 37 GLY HA3 H 37 3.951 3.998 -0.047 1
1 349 . 11 1 1 A 37 37 GLY C C 37 174.029 173.648 0.381 1
1 350 . 11 1 1 A 37 37 GLY CA C 37 45.277 46.138 -0.861 1
1 351 . 11 1 1 A 37 37 GLY N N 37 110.634 111.044 -0.410 1
1 352 . 11 1 1 A 38 38 GLU H H 38 8.089 7.993 0.096 1
1 353 . 11 1 1 A 38 38 GLU HA H 38 4.246 4.828 -0.582 1
1 358 . 11 1 1 A 38 38 GLU C C 38 176.458 175.404 1.054 1
1 359 . 11 1 1 A 38 38 GLU CA C 38 56.489 55.210 1.279 1
1 360 . 11 1 1 A 38 38 GLU CB C 38 30.515 31.995 -1.480 1
1 362 . 11 1 1 A 38 38 GLU N N 38 120.563 118.564 1.999 1
1 363 . 11 1 1 A 39 39 LYS H H 39 8.395 8.753 -0.358 1
1 364 . 11 1 1 A 39 39 LYS HA H 39 4.604 4.791 -0.187 1
1 373 . 11 1 1 A 39 39 LYS C C 39 174.345 174.016 0.329 1
1 374 . 11 1 1 A 39 39 LYS CA C 39 54.144 52.914 1.230 1
1 375 . 11 1 1 A 39 39 LYS CB C 39 32.504 34.049 -1.545 1
1 379 . 11 1 1 A 39 39 LYS N N 39 123.827 124.360 -0.533 1
1 380 . 11 1 1 A 40 40 PRO HA H 40 4.456 4.601 -0.145 1
1 387 . 11 1 1 A 40 40 PRO CA C 40 63.186 62.487 0.699 1
1 388 . 11 1 1 A 40 40 PRO CB C 40 32.177 33.206 -1.029 1
1 391 . 11 1 1 A 41 41 SER H H 41 8.483 8.577 -0.094 1
1 392 . 11 1 1 A 41 41 SER HA H 41 4.453 4.998 -0.545 1
1 395 . 11 1 1 A 41 41 SER CA C 41 58.591 57.369 1.222 1
1 396 . 11 1 1 A 41 41 SER CB C 41 63.944 67.292 -3.348 1
1 397 . 11 1 1 A 41 41 SER N N 41 116.550 114.203 2.347 1
1 398 . 11 1 1 A 42 42 GLY H H 42 8.230 8.489 -0.259 1
1 399 . 11 1 1 A 42 42 GLY HA2 H 42 4.159 3.937 0.222 1
1 400 . 11 1 1 A 42 42 GLY HA3 H 42 4.111 3.938 0.173 1
1 401 . 11 1 1 A 42 42 GLY CA C 42 44.656 46.470 -1.814 1
1 402 . 11 1 1 A 42 42 GLY N N 42 110.653 111.476 -0.823 1
1 403 . 11 1 1 A 43 43 PRO HA H 43 4.466 4.673 -0.207 1
1 410 . 11 1 1 A 43 43 PRO CA C 43 63.318 62.595 0.723 1
1 411 . 11 1 1 A 43 43 PRO CB C 43 32.206 32.248 -0.042 1
1 414 . 11 1 1 A 44 44 SER H H 44 8.485 8.712 -0.227 1
1 1 . 12 1 1 A 9 9 GLY H H 9 8.233 8.043 0.190 1
1 2 . 12 1 1 A 9 9 GLY HA2 H 9 4.025 4.123 -0.098 1
1 3 . 12 1 1 A 9 9 GLY HA3 H 9 3.948 4.132 -0.184 1
1 4 . 12 1 1 A 9 9 GLY C C 9 174.022 173.786 0.236 1
1 5 . 12 1 1 A 9 9 GLY CA C 9 45.367 45.684 -0.317 1
1 6 . 12 1 1 A 9 9 GLY N N 9 110.543 106.909 3.634 1
1 7 . 12 1 1 A 10 10 GLU H H 10 8.175 8.046 0.129 1
1 8 . 12 1 1 A 10 10 GLU HA H 10 4.187 4.323 -0.136 1
1 13 . 12 1 1 A 10 10 GLU C C 10 176.220 175.483 0.737 1
1 14 . 12 1 1 A 10 10 GLU CA C 10 56.730 56.720 0.010 1
1 15 . 12 1 1 A 10 10 GLU CB C 10 30.395 29.854 0.541 1
1 17 . 12 1 1 A 10 10 GLU N N 10 120.194 122.960 -2.766 1
1 18 . 12 1 1 A 11 11 LYS H H 11 8.391 8.467 -0.076 1
1 19 . 12 1 1 A 11 11 LYS HA H 11 4.528 4.944 -0.416 1
1 28 . 12 1 1 A 11 11 LYS C C 11 174.468 175.694 -1.226 1
1 29 . 12 1 1 A 11 11 LYS CA C 11 54.112 52.447 1.665 1
1 30 . 12 1 1 A 11 11 LYS CB C 11 33.635 33.899 -0.264 1
1 34 . 12 1 1 A 11 11 LYS N N 11 121.933 127.833 -5.900 1
1 35 . 12 1 1 A 12 12 PRO HA H 12 4.229 4.404 -0.175 1
1 42 . 12 1 1 A 12 12 PRO C C 12 176.420 176.017 0.403 1
1 43 . 12 1 1 A 12 12 PRO CA C 12 63.948 64.256 -0.308 1
1 44 . 12 1 1 A 12 12 PRO CB C 12 32.366 31.503 0.863 1
1 47 . 12 1 1 A 13 13 PHE H H 13 7.694 7.257 0.437 1
1 48 . 12 1 1 A 13 13 PHE HA H 13 4.700 5.083 -0.383 1
1 56 . 12 1 1 A 13 13 PHE C C 13 174.071 174.483 -0.412 1
1 57 . 12 1 1 A 13 13 PHE CA C 13 57.784 57.205 0.579 1
1 58 . 12 1 1 A 13 13 PHE CB C 13 39.605 41.828 -2.223 1
1 64 . 12 1 1 A 13 13 PHE N N 13 117.427 118.368 -0.941 1
1 65 . 12 1 1 A 14 14 LYS H H 14 8.784 8.790 -0.006 1
1 66 . 12 1 1 A 14 14 LYS HA H 14 4.976 5.264 -0.288 1
1 75 . 12 1 1 A 14 14 LYS C C 14 174.467 174.770 -0.303 1
1 76 . 12 1 1 A 14 14 LYS CA C 14 54.862 55.373 -0.511 1
1 77 . 12 1 1 A 14 14 LYS CB C 14 36.253 36.520 -0.267 1
1 81 . 12 1 1 A 14 14 LYS N N 14 125.268 121.556 3.712 1
1 82 . 12 1 1 A 15 15 CYS H H 15 9.301 9.100 0.201 1
1 83 . 12 1 1 A 15 15 CYS HA H 15 4.615 4.610 0.005 1
1 86 . 12 1 1 A 15 15 CYS C C 15 177.056 175.567 1.489 1
1 87 . 12 1 1 A 15 15 CYS CA C 15 59.312 58.975 0.337 1
1 88 . 12 1 1 A 15 15 CYS CB C 15 29.488 27.541 1.947 1
1 89 . 12 1 1 A 15 15 CYS N N 15 128.099 125.303 2.796 1
1 90 . 12 1 1 A 16 16 GLU H H 16 9.566 8.338 1.228 1
1 91 . 12 1 1 A 16 16 GLU HA H 16 4.132 4.102 0.030 1
1 96 . 12 1 1 A 16 16 GLU C C 16 177.004 178.498 -1.494 1
1 97 . 12 1 1 A 16 16 GLU CA C 16 58.483 59.189 -0.706 1
1 98 . 12 1 1 A 16 16 GLU CB C 16 29.405 29.326 0.079 1
1 100 . 12 1 1 A 16 16 GLU N N 16 132.079 127.084 4.995 1
1 101 . 12 1 1 A 17 17 GLU H H 17 8.515 8.444 0.071 1
1 102 . 12 1 1 A 17 17 GLU HA H 17 4.166 3.914 0.252 1
1 107 . 12 1 1 A 17 17 GLU C C 17 177.263 178.313 -1.050 1
1 108 . 12 1 1 A 17 17 GLU CA C 17 58.536 58.590 -0.054 1
1 109 . 12 1 1 A 17 17 GLU CB C 17 29.369 28.416 0.953 1
1 111 . 12 1 1 A 17 17 GLU N N 17 119.982 120.160 -0.178 1
1 112 . 12 1 1 A 18 18 CYS H H 18 7.938 7.488 0.450 1
1 113 . 12 1 1 A 18 18 CYS HA H 18 5.196 4.749 0.447 1
1 116 . 12 1 1 A 18 18 CYS C C 18 176.278 175.569 0.709 1
1 117 . 12 1 1 A 18 18 CYS CA C 18 58.263 59.466 -1.203 1
1 118 . 12 1 1 A 18 18 CYS CB C 18 32.587 30.112 2.475 1
1 119 . 12 1 1 A 18 18 CYS N N 18 114.272 114.588 -0.316 1
1 120 . 12 1 1 A 19 19 GLY H H 19 8.314 8.437 -0.123 1
1 121 . 12 1 1 A 19 19 GLY HA2 H 19 4.268 4.089 0.179 1
1 122 . 12 1 1 A 19 19 GLY HA3 H 19 3.673 4.096 -0.423 1
1 123 . 12 1 1 A 19 19 GLY C C 19 173.616 174.666 -1.050 1
1 124 . 12 1 1 A 19 19 GLY CA C 19 46.257 44.942 1.315 1
1 125 . 12 1 1 A 19 19 GLY N N 19 114.021 109.860 4.161 1
1 126 . 12 1 1 A 20 20 LYS H H 20 7.978 7.293 0.685 1
1 127 . 12 1 1 A 20 20 LYS HA H 20 3.931 4.264 -0.333 1
1 136 . 12 1 1 A 20 20 LYS C C 20 174.188 175.073 -0.885 1
1 137 . 12 1 1 A 20 20 LYS CA C 20 58.366 56.260 2.106 1
1 138 . 12 1 1 A 20 20 LYS CB C 20 33.708 34.183 -0.475 1
1 142 . 12 1 1 A 20 20 LYS N N 20 122.893 120.124 2.769 1
1 143 . 12 1 1 A 21 21 ARG H H 21 7.701 7.914 -0.213 1
1 144 . 12 1 1 A 21 21 ARG HA H 21 5.225 5.327 -0.102 1
1 151 . 12 1 1 A 21 21 ARG C C 21 175.407 174.439 0.968 1
1 152 . 12 1 1 A 21 21 ARG CA C 21 54.329 54.111 0.218 1
1 153 . 12 1 1 A 21 21 ARG CB C 21 33.812 34.736 -0.924 1
1 156 . 12 1 1 A 21 21 ARG N N 21 118.953 118.504 0.449 1
1 157 . 12 1 1 A 22 22 PHE H H 22 8.809 8.724 0.085 1
1 158 . 12 1 1 A 22 22 PHE HA H 22 4.843 4.872 -0.029 1
1 166 . 12 1 1 A 22 22 PHE C C 22 175.443 175.533 -0.090 1
1 167 . 12 1 1 A 22 22 PHE CA C 22 57.033 56.914 0.119 1
1 168 . 12 1 1 A 22 22 PHE CB C 22 43.947 42.865 1.082 1
1 174 . 12 1 1 A 22 22 PHE N N 22 116.286 119.163 -2.877 1
1 175 . 12 1 1 A 23 23 THR H H 23 8.980 8.724 0.256 1
1 176 . 12 1 1 A 23 23 THR HA H 23 4.463 4.467 -0.004 1
1 181 . 12 1 1 A 23 23 THR C C 23 174.420 174.048 0.372 1
1 182 . 12 1 1 A 23 23 THR CA C 23 64.989 63.612 1.377 1
1 183 . 12 1 1 A 23 23 THR CB C 23 69.648 69.921 -0.273 1
1 185 . 12 1 1 A 23 23 THR N N 23 114.709 117.213 -2.504 1
1 186 . 12 1 1 A 24 24 GLN H H 24 7.526 7.694 -0.168 1
1 187 . 12 1 1 A 24 24 GLN HA H 24 4.809 4.413 0.396 1
1 194 . 12 1 1 A 24 24 GLN C C 24 176.247 175.183 1.064 1
1 195 . 12 1 1 A 24 24 GLN CA C 24 53.833 54.294 -0.461 1
1 196 . 12 1 1 A 24 24 GLN CB C 24 32.628 31.911 0.717 1
1 198 . 12 1 1 A 24 24 GLN N N 24 115.299 118.354 -3.055 1
1 200 . 12 1 1 A 25 25 ASN HA H 25 3.359 3.373 -0.014 1
1 205 . 12 1 1 A 25 25 ASN CA C 25 55.668 55.311 0.357 1
1 206 . 12 1 1 A 25 25 ASN CB C 25 37.930 37.144 0.786 1
1 207 . 12 1 1 A 25 25 ASN N N 25 119.000 119.942 -0.942 1
1 209 . 12 1 1 A 26 26 SER HA H 26 4.003 4.015 -0.012 1
1 212 . 12 1 1 A 26 26 SER C C 26 177.207 176.924 0.283 1
1 213 . 12 1 1 A 26 26 SER CA C 26 60.851 61.259 -0.408 1
1 214 . 12 1 1 A 26 26 SER CB C 26 61.368 62.912 -1.544 1
1 215 . 12 1 1 A 26 26 SER N N 26 118.833 114.046 4.787 1
1 216 . 12 1 1 A 27 27 GLN H H 27 6.685 7.475 -0.790 1
1 217 . 12 1 1 A 27 27 GLN HA H 27 4.060 3.885 0.175 1
1 224 . 12 1 1 A 27 27 GLN C C 27 178.447 177.622 0.825 1
1 225 . 12 1 1 A 27 27 GLN CA C 27 57.550 58.655 -1.105 1
1 226 . 12 1 1 A 27 27 GLN CB C 27 28.617 28.407 0.210 1
1 228 . 12 1 1 A 27 27 GLN N N 27 121.169 121.390 -0.221 1
1 230 . 12 1 1 A 28 28 LEU H H 28 6.836 7.123 -0.287 1
1 231 . 12 1 1 A 28 28 LEU HA H 28 3.150 2.216 0.934 1
1 241 . 12 1 1 A 28 28 LEU C C 28 177.696 177.927 -0.231 1
1 242 . 12 1 1 A 28 28 LEU CA C 28 57.849 57.281 0.568 1
1 243 . 12 1 1 A 28 28 LEU CB C 28 40.265 41.365 -1.100 1
1 247 . 12 1 1 A 28 28 LEU N N 28 121.952 120.973 0.979 1
1 248 . 12 1 1 A 29 29 HIS H H 29 8.184 8.468 -0.284 1
1 249 . 12 1 1 A 29 29 HIS HA H 29 4.354 4.289 0.065 1
1 254 . 12 1 1 A 29 29 HIS C C 29 178.575 177.792 0.783 1
1 255 . 12 1 1 A 29 29 HIS CA C 29 59.335 59.231 0.104 1
1 256 . 12 1 1 A 29 29 HIS CB C 29 30.003 29.647 0.356 1
1 259 . 12 1 1 A 29 29 HIS N N 29 118.076 117.227 0.849 1
1 260 . 12 1 1 A 30 30 SER H H 30 7.774 7.783 -0.009 1
1 261 . 12 1 1 A 30 30 SER HA H 30 4.114 4.300 -0.186 1
1 264 . 12 1 1 A 30 30 SER C C 30 176.995 176.207 0.788 1
1 265 . 12 1 1 A 30 30 SER CA C 30 61.403 61.168 0.235 1
1 266 . 12 1 1 A 30 30 SER CB C 30 62.700 63.195 -0.495 1
1 267 . 12 1 1 A 30 30 SER N N 30 113.416 115.790 -2.374 1
1 268 . 12 1 1 A 31 31 HIS H H 31 7.674 7.702 -0.028 1
1 269 . 12 1 1 A 31 31 HIS HA H 31 4.244 4.229 0.015 1
1 274 . 12 1 1 A 31 31 HIS C C 31 175.921 177.278 -1.357 1
1 275 . 12 1 1 A 31 31 HIS CA C 31 58.808 59.378 -0.570 1
1 276 . 12 1 1 A 31 31 HIS CB C 31 28.456 30.093 -1.637 1
1 279 . 12 1 1 A 31 31 HIS N N 31 121.035 121.601 -0.566 1
1 280 . 12 1 1 A 32 32 GLN H H 32 8.120 8.674 -0.554 1
1 281 . 12 1 1 A 32 32 GLN HA H 32 3.662 4.202 -0.540 1
1 288 . 12 1 1 A 32 32 GLN C C 32 177.273 178.503 -1.230 1
1 289 . 12 1 1 A 32 32 GLN CA C 32 59.264 58.989 0.275 1
1 290 . 12 1 1 A 32 32 GLN CB C 32 28.135 28.311 -0.176 1
1 292 . 12 1 1 A 32 32 GLN N N 32 115.343 117.960 -2.617 1
1 294 . 12 1 1 A 33 33 ARG H H 33 7.065 8.093 -1.028 1
1 295 . 12 1 1 A 33 33 ARG HA H 33 4.124 4.201 -0.077 1
1 302 . 12 1 1 A 33 33 ARG C C 33 178.476 179.051 -0.575 1
1 303 . 12 1 1 A 33 33 ARG CA C 33 58.372 58.978 -0.606 1
1 304 . 12 1 1 A 33 33 ARG CB C 33 29.919 29.858 0.061 1
1 307 . 12 1 1 A 33 33 ARG N N 33 117.435 120.284 -2.849 1
1 308 . 12 1 1 A 34 34 VAL H H 34 7.882 7.999 -0.117 1
1 309 . 12 1 1 A 34 34 VAL HA H 34 3.899 3.694 0.205 1
1 317 . 12 1 1 A 34 34 VAL C C 34 177.238 177.777 -0.539 1
1 318 . 12 1 1 A 34 34 VAL CA C 34 63.969 65.288 -1.319 1
1 319 . 12 1 1 A 34 34 VAL CB C 34 31.000 31.198 -0.198 1
1 322 . 12 1 1 A 34 34 VAL N N 34 116.190 116.791 -0.601 1
1 323 . 12 1 1 A 35 35 HIS H H 35 7.203 7.661 -0.458 1
1 324 . 12 1 1 A 35 35 HIS HA H 35 4.877 4.419 0.458 1
1 329 . 12 1 1 A 35 35 HIS C C 35 175.781 176.104 -0.323 1
1 330 . 12 1 1 A 35 35 HIS CA C 35 55.155 59.154 -3.999 1
1 331 . 12 1 1 A 35 35 HIS CB C 35 28.648 30.284 -1.636 1
1 334 . 12 1 1 A 35 35 HIS N N 35 117.199 120.069 -2.870 1
1 335 . 12 1 1 A 36 36 THR H H 36 7.779 7.737 0.042 1
1 336 . 12 1 1 A 36 36 THR HA H 36 4.353 4.349 0.004 1
1 341 . 12 1 1 A 36 36 THR C C 36 175.511 174.715 0.796 1
1 342 . 12 1 1 A 36 36 THR CA C 36 62.495 61.015 1.480 1
1 343 . 12 1 1 A 36 36 THR CB C 36 69.840 68.833 1.007 1
1 345 . 12 1 1 A 36 36 THR N N 36 111.736 108.141 3.595 1
1 346 . 12 1 1 A 37 37 GLY H H 37 8.231 7.568 0.663 1
1 347 . 12 1 1 A 37 37 GLY HA2 H 37 4.026 4.077 -0.051 1
1 348 . 12 1 1 A 37 37 GLY HA3 H 37 3.951 4.086 -0.135 1
1 349 . 12 1 1 A 37 37 GLY C C 37 174.029 174.828 -0.799 1
1 350 . 12 1 1 A 37 37 GLY CA C 37 45.277 45.667 -0.390 1
1 351 . 12 1 1 A 37 37 GLY N N 37 110.634 109.680 0.954 1
1 352 . 12 1 1 A 38 38 GLU H H 38 8.089 7.919 0.170 1
1 353 . 12 1 1 A 38 38 GLU HA H 38 4.246 4.191 0.055 1
1 358 . 12 1 1 A 38 38 GLU C C 38 176.458 175.421 1.037 1
1 359 . 12 1 1 A 38 38 GLU CA C 38 56.489 58.372 -1.883 1
1 360 . 12 1 1 A 38 38 GLU CB C 38 30.515 30.987 -0.472 1
1 362 . 12 1 1 A 38 38 GLU N N 38 120.563 121.207 -0.644 1
1 363 . 12 1 1 A 39 39 LYS H H 39 8.395 7.596 0.799 1
1 364 . 12 1 1 A 39 39 LYS HA H 39 4.604 4.814 -0.210 1
1 373 . 12 1 1 A 39 39 LYS C C 39 174.345 174.290 0.055 1
1 374 . 12 1 1 A 39 39 LYS CA C 39 54.144 53.147 0.997 1
1 375 . 12 1 1 A 39 39 LYS CB C 39 32.504 35.509 -3.005 1
1 379 . 12 1 1 A 39 39 LYS N N 39 123.827 117.218 6.609 1
1 380 . 12 1 1 A 40 40 PRO HA H 40 4.456 4.582 -0.126 1
1 387 . 12 1 1 A 40 40 PRO CA C 40 63.186 62.331 0.855 1
1 388 . 12 1 1 A 40 40 PRO CB C 40 32.177 33.216 -1.039 1
1 391 . 12 1 1 A 41 41 SER H H 41 8.483 8.785 -0.302 1
1 392 . 12 1 1 A 41 41 SER HA H 41 4.453 4.214 0.239 1
1 395 . 12 1 1 A 41 41 SER CA C 41 58.591 61.724 -3.133 1
1 396 . 12 1 1 A 41 41 SER CB C 41 63.944 63.433 0.511 1
1 397 . 12 1 1 A 41 41 SER N N 41 116.550 115.592 0.958 1
1 398 . 12 1 1 A 42 42 GLY H H 42 8.230 7.306 0.924 1
1 399 . 12 1 1 A 42 42 GLY HA2 H 42 4.159 4.112 0.047 1
1 400 . 12 1 1 A 42 42 GLY HA3 H 42 4.111 4.119 -0.008 1
1 401 . 12 1 1 A 42 42 GLY CA C 42 44.656 45.659 -1.003 1
1 402 . 12 1 1 A 42 42 GLY N N 42 110.653 104.695 5.958 1
1 403 . 12 1 1 A 43 43 PRO HA H 43 4.466 4.623 -0.157 1
1 410 . 12 1 1 A 43 43 PRO CA C 43 63.318 63.722 -0.404 1
1 411 . 12 1 1 A 43 43 PRO CB C 43 32.206 31.796 0.410 1
1 414 . 12 1 1 A 44 44 SER H H 44 8.485 7.875 0.610 1
1 1 . 13 1 1 A 9 9 GLY H H 9 8.233 8.395 -0.162 1
1 2 . 13 1 1 A 9 9 GLY HA2 H 9 4.025 4.114 -0.089 1
1 3 . 13 1 1 A 9 9 GLY HA3 H 9 3.948 4.118 -0.170 1
1 4 . 13 1 1 A 9 9 GLY C C 9 174.022 171.834 2.188 1
1 5 . 13 1 1 A 9 9 GLY CA C 9 45.367 44.125 1.242 1
1 6 . 13 1 1 A 9 9 GLY N N 9 110.543 110.254 0.289 1
1 7 . 13 1 1 A 10 10 GLU H H 10 8.175 8.552 -0.377 1
1 8 . 13 1 1 A 10 10 GLU HA H 10 4.187 5.287 -1.100 1
1 13 . 13 1 1 A 10 10 GLU C C 10 176.220 174.343 1.877 1
1 14 . 13 1 1 A 10 10 GLU CA C 10 56.730 54.959 1.771 1
1 15 . 13 1 1 A 10 10 GLU CB C 10 30.395 33.152 -2.757 1
1 17 . 13 1 1 A 10 10 GLU N N 10 120.194 116.820 3.374 1
1 18 . 13 1 1 A 11 11 LYS H H 11 8.391 8.748 -0.357 1
1 19 . 13 1 1 A 11 11 LYS HA H 11 4.528 5.018 -0.490 1
1 28 . 13 1 1 A 11 11 LYS C C 11 174.468 175.744 -1.276 1
1 29 . 13 1 1 A 11 11 LYS CA C 11 54.112 52.689 1.423 1
1 30 . 13 1 1 A 11 11 LYS CB C 11 33.635 34.579 -0.944 1
1 34 . 13 1 1 A 11 11 LYS N N 11 121.933 123.184 -1.251 1
1 35 . 13 1 1 A 12 12 PRO HA H 12 4.229 4.420 -0.191 1
1 42 . 13 1 1 A 12 12 PRO C C 12 176.420 176.051 0.369 1
1 43 . 13 1 1 A 12 12 PRO CA C 12 63.948 64.213 -0.265 1
1 44 . 13 1 1 A 12 12 PRO CB C 12 32.366 31.434 0.932 1
1 47 . 13 1 1 A 13 13 PHE H H 13 7.694 7.258 0.436 1
1 48 . 13 1 1 A 13 13 PHE HA H 13 4.700 5.140 -0.440 1
1 56 . 13 1 1 A 13 13 PHE C C 13 174.071 174.368 -0.297 1
1 57 . 13 1 1 A 13 13 PHE CA C 13 57.784 56.885 0.899 1
1 58 . 13 1 1 A 13 13 PHE CB C 13 39.605 41.552 -1.947 1
1 64 . 13 1 1 A 13 13 PHE N N 13 117.427 118.510 -1.083 1
1 65 . 13 1 1 A 14 14 LYS H H 14 8.784 8.880 -0.096 1
1 66 . 13 1 1 A 14 14 LYS HA H 14 4.976 5.383 -0.407 1
1 75 . 13 1 1 A 14 14 LYS C C 14 174.467 175.082 -0.615 1
1 76 . 13 1 1 A 14 14 LYS CA C 14 54.862 54.836 0.026 1
1 77 . 13 1 1 A 14 14 LYS CB C 14 36.253 36.528 -0.275 1
1 81 . 13 1 1 A 14 14 LYS N N 14 125.268 122.746 2.522 1
1 82 . 13 1 1 A 15 15 CYS H H 15 9.301 9.198 0.103 1
1 83 . 13 1 1 A 15 15 CYS HA H 15 4.615 4.694 -0.079 1
1 86 . 13 1 1 A 15 15 CYS C C 15 177.056 175.994 1.062 1
1 87 . 13 1 1 A 15 15 CYS CA C 15 59.312 59.339 -0.027 1
1 88 . 13 1 1 A 15 15 CYS CB C 15 29.488 28.529 0.959 1
1 89 . 13 1 1 A 15 15 CYS N N 15 128.099 125.344 2.755 1
1 90 . 13 1 1 A 16 16 GLU H H 16 9.566 9.001 0.565 1
1 91 . 13 1 1 A 16 16 GLU HA H 16 4.132 4.128 0.004 1
1 96 . 13 1 1 A 16 16 GLU C C 16 177.004 178.540 -1.536 1
1 97 . 13 1 1 A 16 16 GLU CA C 16 58.483 59.525 -1.042 1
1 98 . 13 1 1 A 16 16 GLU CB C 16 29.405 29.337 0.068 1
1 100 . 13 1 1 A 16 16 GLU N N 16 132.079 127.737 4.342 1
1 101 . 13 1 1 A 17 17 GLU H H 17 8.515 8.358 0.157 1
1 102 . 13 1 1 A 17 17 GLU HA H 17 4.166 3.901 0.265 1
1 107 . 13 1 1 A 17 17 GLU C C 17 177.263 178.265 -1.002 1
1 108 . 13 1 1 A 17 17 GLU CA C 17 58.536 58.553 -0.017 1
1 109 . 13 1 1 A 17 17 GLU CB C 17 29.369 28.307 1.062 1
1 111 . 13 1 1 A 17 17 GLU N N 17 119.982 120.502 -0.520 1
1 112 . 13 1 1 A 18 18 CYS H H 18 7.938 7.895 0.043 1
1 113 . 13 1 1 A 18 18 CYS HA H 18 5.196 4.752 0.444 1
1 116 . 13 1 1 A 18 18 CYS C C 18 176.278 175.703 0.575 1
1 117 . 13 1 1 A 18 18 CYS CA C 18 58.263 59.386 -1.123 1
1 118 . 13 1 1 A 18 18 CYS CB C 18 32.587 30.407 2.180 1
1 119 . 13 1 1 A 18 18 CYS N N 18 114.272 114.730 -0.458 1
1 120 . 13 1 1 A 19 19 GLY H H 19 8.314 8.166 0.148 1
1 121 . 13 1 1 A 19 19 GLY HA2 H 19 4.268 4.081 0.187 1
1 122 . 13 1 1 A 19 19 GLY HA3 H 19 3.673 4.092 -0.419 1
1 123 . 13 1 1 A 19 19 GLY C C 19 173.616 174.824 -1.208 1
1 124 . 13 1 1 A 19 19 GLY CA C 19 46.257 45.047 1.210 1
1 125 . 13 1 1 A 19 19 GLY N N 19 114.021 110.083 3.938 1
1 126 . 13 1 1 A 20 20 LYS H H 20 7.978 7.300 0.678 1
1 127 . 13 1 1 A 20 20 LYS HA H 20 3.931 4.269 -0.338 1
1 136 . 13 1 1 A 20 20 LYS C C 20 174.188 175.085 -0.897 1
1 137 . 13 1 1 A 20 20 LYS CA C 20 58.366 56.312 2.054 1
1 138 . 13 1 1 A 20 20 LYS CB C 20 33.708 34.191 -0.483 1
1 142 . 13 1 1 A 20 20 LYS N N 20 122.893 120.420 2.473 1
1 143 . 13 1 1 A 21 21 ARG H H 21 7.701 7.989 -0.288 1
1 144 . 13 1 1 A 21 21 ARG HA H 21 5.225 5.449 -0.224 1
1 151 . 13 1 1 A 21 21 ARG C C 21 175.407 174.485 0.922 1
1 152 . 13 1 1 A 21 21 ARG CA C 21 54.329 54.159 0.170 1
1 153 . 13 1 1 A 21 21 ARG CB C 21 33.812 34.554 -0.742 1
1 156 . 13 1 1 A 21 21 ARG N N 21 118.953 118.622 0.331 1
1 157 . 13 1 1 A 22 22 PHE H H 22 8.809 9.077 -0.268 1
1 158 . 13 1 1 A 22 22 PHE HA H 22 4.843 4.899 -0.056 1
1 166 . 13 1 1 A 22 22 PHE C C 22 175.443 175.558 -0.115 1
1 167 . 13 1 1 A 22 22 PHE CA C 22 57.033 56.902 0.131 1
1 168 . 13 1 1 A 22 22 PHE CB C 22 43.947 43.096 0.851 1
1 174 . 13 1 1 A 22 22 PHE N N 22 116.286 119.705 -3.419 1
1 175 . 13 1 1 A 23 23 THR H H 23 8.980 8.744 0.236 1
1 176 . 13 1 1 A 23 23 THR HA H 23 4.463 4.495 -0.032 1
1 181 . 13 1 1 A 23 23 THR C C 23 174.420 174.152 0.268 1
1 182 . 13 1 1 A 23 23 THR CA C 23 64.989 63.609 1.380 1
1 183 . 13 1 1 A 23 23 THR CB C 23 69.648 69.837 -0.189 1
1 185 . 13 1 1 A 23 23 THR N N 23 114.709 117.431 -2.722 1
1 186 . 13 1 1 A 24 24 GLN H H 24 7.526 7.622 -0.096 1
1 187 . 13 1 1 A 24 24 GLN HA H 24 4.809 4.273 0.536 1
1 194 . 13 1 1 A 24 24 GLN C C 24 176.247 175.193 1.054 1
1 195 . 13 1 1 A 24 24 GLN CA C 24 53.833 53.912 -0.079 1
1 196 . 13 1 1 A 24 24 GLN CB C 24 32.628 32.363 0.265 1
1 198 . 13 1 1 A 24 24 GLN N N 24 115.299 118.571 -3.272 1
1 200 . 13 1 1 A 25 25 ASN HA H 25 3.359 3.719 -0.360 1
1 205 . 13 1 1 A 25 25 ASN CA C 25 55.668 55.496 0.172 1
1 206 . 13 1 1 A 25 25 ASN CB C 25 37.930 37.266 0.664 1
1 207 . 13 1 1 A 25 25 ASN N N 25 119.000 119.645 -0.645 1
1 209 . 13 1 1 A 26 26 SER HA H 26 4.003 4.021 -0.018 1
1 212 . 13 1 1 A 26 26 SER C C 26 177.207 176.294 0.913 1
1 213 . 13 1 1 A 26 26 SER CA C 26 60.851 61.710 -0.859 1
1 214 . 13 1 1 A 26 26 SER CB C 26 61.368 62.992 -1.624 1
1 215 . 13 1 1 A 26 26 SER N N 26 118.833 115.316 3.517 1
1 216 . 13 1 1 A 27 27 GLN H H 27 6.685 7.520 -0.835 1
1 217 . 13 1 1 A 27 27 GLN HA H 27 4.060 3.887 0.173 1
1 224 . 13 1 1 A 27 27 GLN C C 27 178.447 177.654 0.793 1
1 225 . 13 1 1 A 27 27 GLN CA C 27 57.550 58.667 -1.117 1
1 226 . 13 1 1 A 27 27 GLN CB C 27 28.617 28.420 0.197 1
1 228 . 13 1 1 A 27 27 GLN N N 27 121.169 121.074 0.095 1
1 230 . 13 1 1 A 28 28 LEU H H 28 6.836 7.248 -0.412 1
1 231 . 13 1 1 A 28 28 LEU HA H 28 3.150 2.392 0.758 1
1 241 . 13 1 1 A 28 28 LEU C C 28 177.696 178.229 -0.533 1
1 242 . 13 1 1 A 28 28 LEU CA C 28 57.849 57.521 0.328 1
1 243 . 13 1 1 A 28 28 LEU CB C 28 40.265 41.621 -1.356 1
1 247 . 13 1 1 A 28 28 LEU N N 28 121.952 121.077 0.875 1
1 248 . 13 1 1 A 29 29 HIS H H 29 8.184 8.707 -0.523 1
1 249 . 13 1 1 A 29 29 HIS HA H 29 4.354 4.298 0.056 1
1 254 . 13 1 1 A 29 29 HIS C C 29 178.575 177.156 1.419 1
1 255 . 13 1 1 A 29 29 HIS CA C 29 59.335 59.267 0.068 1
1 256 . 13 1 1 A 29 29 HIS CB C 29 30.003 29.625 0.378 1
1 259 . 13 1 1 A 29 29 HIS N N 29 118.076 117.091 0.985 1
1 260 . 13 1 1 A 30 30 SER H H 30 7.774 7.664 0.110 1
1 261 . 13 1 1 A 30 30 SER HA H 30 4.114 4.216 -0.102 1
1 264 . 13 1 1 A 30 30 SER C C 30 176.995 176.866 0.129 1
1 265 . 13 1 1 A 30 30 SER CA C 30 61.403 60.438 0.965 1
1 266 . 13 1 1 A 30 30 SER CB C 30 62.700 62.849 -0.149 1
1 267 . 13 1 1 A 30 30 SER N N 30 113.416 115.157 -1.741 1
1 268 . 13 1 1 A 31 31 HIS H H 31 7.674 7.783 -0.109 1
1 269 . 13 1 1 A 31 31 HIS HA H 31 4.244 4.222 0.022 1
1 274 . 13 1 1 A 31 31 HIS C C 31 175.921 177.269 -1.348 1
1 275 . 13 1 1 A 31 31 HIS CA C 31 58.808 59.301 -0.493 1
1 276 . 13 1 1 A 31 31 HIS CB C 31 28.456 30.129 -1.673 1
1 279 . 13 1 1 A 31 31 HIS N N 31 121.035 121.113 -0.078 1
1 280 . 13 1 1 A 32 32 GLN H H 32 8.120 8.567 -0.447 1
1 281 . 13 1 1 A 32 32 GLN HA H 32 3.662 4.178 -0.516 1
1 288 . 13 1 1 A 32 32 GLN C C 32 177.273 178.629 -1.356 1
1 289 . 13 1 1 A 32 32 GLN CA C 32 59.264 58.966 0.298 1
1 290 . 13 1 1 A 32 32 GLN CB C 32 28.135 28.170 -0.035 1
1 292 . 13 1 1 A 32 32 GLN N N 32 115.343 117.918 -2.575 1
1 294 . 13 1 1 A 33 33 ARG H H 33 7.065 8.006 -0.941 1
1 295 . 13 1 1 A 33 33 ARG HA H 33 4.124 4.110 0.014 1
1 302 . 13 1 1 A 33 33 ARG C C 33 178.476 179.123 -0.647 1
1 303 . 13 1 1 A 33 33 ARG CA C 33 58.372 59.041 -0.669 1
1 304 . 13 1 1 A 33 33 ARG CB C 33 29.919 29.912 0.007 1
1 307 . 13 1 1 A 33 33 ARG N N 33 117.435 120.220 -2.785 1
1 308 . 13 1 1 A 34 34 VAL H H 34 7.882 7.969 -0.087 1
1 309 . 13 1 1 A 34 34 VAL HA H 34 3.899 3.692 0.207 1
1 317 . 13 1 1 A 34 34 VAL C C 34 177.238 177.686 -0.448 1
1 318 . 13 1 1 A 34 34 VAL CA C 34 63.969 65.284 -1.315 1
1 319 . 13 1 1 A 34 34 VAL CB C 34 31.000 31.205 -0.205 1
1 322 . 13 1 1 A 34 34 VAL N N 34 116.190 116.775 -0.585 1
1 323 . 13 1 1 A 35 35 HIS H H 35 7.203 7.771 -0.568 1
1 324 . 13 1 1 A 35 35 HIS HA H 35 4.877 4.447 0.430 1
1 329 . 13 1 1 A 35 35 HIS C C 35 175.781 176.099 -0.318 1
1 330 . 13 1 1 A 35 35 HIS CA C 35 55.155 58.795 -3.640 1
1 331 . 13 1 1 A 35 35 HIS CB C 35 28.648 29.991 -1.343 1
1 334 . 13 1 1 A 35 35 HIS N N 35 117.199 120.040 -2.841 1
1 335 . 13 1 1 A 36 36 THR H H 36 7.779 7.814 -0.035 1
1 336 . 13 1 1 A 36 36 THR HA H 36 4.353 4.346 0.007 1
1 341 . 13 1 1 A 36 36 THR C C 36 175.511 174.696 0.815 1
1 342 . 13 1 1 A 36 36 THR CA C 36 62.495 60.997 1.498 1
1 343 . 13 1 1 A 36 36 THR CB C 36 69.840 68.701 1.139 1
1 345 . 13 1 1 A 36 36 THR N N 36 111.736 108.341 3.395 1
1 346 . 13 1 1 A 37 37 GLY H H 37 8.231 7.567 0.664 1
1 347 . 13 1 1 A 37 37 GLY HA2 H 37 4.026 4.027 -0.001 1
1 348 . 13 1 1 A 37 37 GLY HA3 H 37 3.951 4.037 -0.086 1
1 349 . 13 1 1 A 37 37 GLY C C 37 174.029 173.631 0.398 1
1 350 . 13 1 1 A 37 37 GLY CA C 37 45.277 45.594 -0.317 1
1 351 . 13 1 1 A 37 37 GLY N N 37 110.634 110.303 0.331 1
1 352 . 13 1 1 A 38 38 GLU H H 38 8.089 7.615 0.474 1
1 353 . 13 1 1 A 38 38 GLU HA H 38 4.246 4.936 -0.690 1
1 358 . 13 1 1 A 38 38 GLU C C 38 176.458 174.450 2.008 1
1 359 . 13 1 1 A 38 38 GLU CA C 38 56.489 55.155 1.334 1
1 360 . 13 1 1 A 38 38 GLU CB C 38 30.515 33.197 -2.682 1
1 362 . 13 1 1 A 38 38 GLU N N 38 120.563 119.868 0.695 1
1 363 . 13 1 1 A 39 39 LYS H H 39 8.395 8.474 -0.079 1
1 364 . 13 1 1 A 39 39 LYS HA H 39 4.604 4.577 0.027 1
1 373 . 13 1 1 A 39 39 LYS C C 39 174.345 175.658 -1.313 1
1 374 . 13 1 1 A 39 39 LYS CA C 39 54.144 54.154 -0.010 1
1 375 . 13 1 1 A 39 39 LYS CB C 39 32.504 33.409 -0.905 1
1 379 . 13 1 1 A 39 39 LYS N N 39 123.827 127.355 -3.528 1
1 380 . 13 1 1 A 40 40 PRO HA H 40 4.456 4.527 -0.071 1
1 387 . 13 1 1 A 40 40 PRO CA C 40 63.186 62.430 0.756 1
1 388 . 13 1 1 A 40 40 PRO CB C 40 32.177 32.285 -0.108 1
1 391 . 13 1 1 A 41 41 SER H H 41 8.483 8.463 0.020 1
1 392 . 13 1 1 A 41 41 SER HA H 41 4.453 4.806 -0.353 1
1 395 . 13 1 1 A 41 41 SER CA C 41 58.591 58.272 0.319 1
1 396 . 13 1 1 A 41 41 SER CB C 41 63.944 64.008 -0.064 1
1 397 . 13 1 1 A 41 41 SER N N 41 116.550 117.064 -0.514 1
1 398 . 13 1 1 A 42 42 GLY H H 42 8.230 8.076 0.154 1
1 399 . 13 1 1 A 42 42 GLY HA2 H 42 4.159 4.220 -0.061 1
1 400 . 13 1 1 A 42 42 GLY HA3 H 42 4.111 4.222 -0.111 1
1 401 . 13 1 1 A 42 42 GLY CA C 42 44.656 45.350 -0.694 1
1 402 . 13 1 1 A 42 42 GLY N N 42 110.653 110.706 -0.053 1
1 403 . 13 1 1 A 43 43 PRO HA H 43 4.466 4.561 -0.095 1
1 410 . 13 1 1 A 43 43 PRO CA C 43 63.318 62.473 0.845 1
1 411 . 13 1 1 A 43 43 PRO CB C 43 32.206 33.238 -1.032 1
1 414 . 13 1 1 A 44 44 SER H H 44 8.485 8.560 -0.075 1
1 1 . 14 1 1 A 9 9 GLY H H 9 8.233 8.440 -0.207 1
1 2 . 14 1 1 A 9 9 GLY HA2 H 9 4.025 4.069 -0.044 1
1 3 . 14 1 1 A 9 9 GLY HA3 H 9 3.948 4.071 -0.123 1
1 4 . 14 1 1 A 9 9 GLY C C 9 174.022 172.700 1.322 1
1 5 . 14 1 1 A 9 9 GLY CA C 9 45.367 44.361 1.006 1
1 6 . 14 1 1 A 9 9 GLY N N 9 110.543 111.360 -0.817 1
1 7 . 14 1 1 A 10 10 GLU H H 10 8.175 8.373 -0.198 1
1 8 . 14 1 1 A 10 10 GLU HA H 10 4.187 5.078 -0.891 1
1 13 . 14 1 1 A 10 10 GLU C C 10 176.220 175.645 0.575 1
1 14 . 14 1 1 A 10 10 GLU CA C 10 56.730 55.167 1.563 1
1 15 . 14 1 1 A 10 10 GLU CB C 10 30.395 33.097 -2.702 1
1 17 . 14 1 1 A 10 10 GLU N N 10 120.194 118.821 1.373 1
1 18 . 14 1 1 A 11 11 LYS H H 11 8.391 8.483 -0.092 1
1 19 . 14 1 1 A 11 11 LYS HA H 11 4.528 5.006 -0.478 1
1 28 . 14 1 1 A 11 11 LYS C C 11 174.468 175.665 -1.197 1
1 29 . 14 1 1 A 11 11 LYS CA C 11 54.112 52.719 1.393 1
1 30 . 14 1 1 A 11 11 LYS CB C 11 33.635 35.325 -1.690 1
1 34 . 14 1 1 A 11 11 LYS N N 11 121.933 122.862 -0.929 1
1 35 . 14 1 1 A 12 12 PRO HA H 12 4.229 4.387 -0.158 1
1 42 . 14 1 1 A 12 12 PRO C C 12 176.420 176.110 0.310 1
1 43 . 14 1 1 A 12 12 PRO CA C 12 63.948 64.549 -0.601 1
1 44 . 14 1 1 A 12 12 PRO CB C 12 32.366 31.828 0.538 1
1 47 . 14 1 1 A 13 13 PHE H H 13 7.694 7.312 0.382 1
1 48 . 14 1 1 A 13 13 PHE HA H 13 4.700 4.990 -0.290 1
1 56 . 14 1 1 A 13 13 PHE C C 13 174.071 174.746 -0.675 1
1 57 . 14 1 1 A 13 13 PHE CA C 13 57.784 57.394 0.390 1
1 58 . 14 1 1 A 13 13 PHE CB C 13 39.605 41.013 -1.408 1
1 64 . 14 1 1 A 13 13 PHE N N 13 117.427 118.482 -1.055 1
1 65 . 14 1 1 A 14 14 LYS H H 14 8.784 8.928 -0.144 1
1 66 . 14 1 1 A 14 14 LYS HA H 14 4.976 5.348 -0.372 1
1 75 . 14 1 1 A 14 14 LYS C C 14 174.467 175.030 -0.563 1
1 76 . 14 1 1 A 14 14 LYS CA C 14 54.862 54.820 0.042 1
1 77 . 14 1 1 A 14 14 LYS CB C 14 36.253 36.551 -0.298 1
1 81 . 14 1 1 A 14 14 LYS N N 14 125.268 122.376 2.892 1
1 82 . 14 1 1 A 15 15 CYS H H 15 9.301 9.209 0.092 1
1 83 . 14 1 1 A 15 15 CYS HA H 15 4.615 4.647 -0.032 1
1 86 . 14 1 1 A 15 15 CYS C C 15 177.056 175.919 1.137 1
1 87 . 14 1 1 A 15 15 CYS CA C 15 59.312 59.139 0.173 1
1 88 . 14 1 1 A 15 15 CYS CB C 15 29.488 28.079 1.409 1
1 89 . 14 1 1 A 15 15 CYS N N 15 128.099 125.359 2.740 1
1 90 . 14 1 1 A 16 16 GLU H H 16 9.566 8.885 0.681 1
1 91 . 14 1 1 A 16 16 GLU HA H 16 4.132 4.109 0.023 1
1 96 . 14 1 1 A 16 16 GLU C C 16 177.004 178.486 -1.482 1
1 97 . 14 1 1 A 16 16 GLU CA C 16 58.483 59.302 -0.819 1
1 98 . 14 1 1 A 16 16 GLU CB C 16 29.405 29.320 0.085 1
1 100 . 14 1 1 A 16 16 GLU N N 16 132.079 127.562 4.517 1
1 101 . 14 1 1 A 17 17 GLU H H 17 8.515 8.247 0.268 1
1 102 . 14 1 1 A 17 17 GLU HA H 17 4.166 3.884 0.282 1
1 107 . 14 1 1 A 17 17 GLU C C 17 177.263 178.200 -0.937 1
1 108 . 14 1 1 A 17 17 GLU CA C 17 58.536 58.532 0.004 1
1 109 . 14 1 1 A 17 17 GLU CB C 17 29.369 28.382 0.987 1
1 111 . 14 1 1 A 17 17 GLU N N 17 119.982 120.483 -0.501 1
1 112 . 14 1 1 A 18 18 CYS H H 18 7.938 7.883 0.055 1
1 113 . 14 1 1 A 18 18 CYS HA H 18 5.196 4.739 0.457 1
1 116 . 14 1 1 A 18 18 CYS C C 18 176.278 175.683 0.595 1
1 117 . 14 1 1 A 18 18 CYS CA C 18 58.263 59.456 -1.193 1
1 118 . 14 1 1 A 18 18 CYS CB C 18 32.587 30.226 2.361 1
1 119 . 14 1 1 A 18 18 CYS N N 18 114.272 114.872 -0.600 1
1 120 . 14 1 1 A 19 19 GLY H H 19 8.314 8.241 0.073 1
1 121 . 14 1 1 A 19 19 GLY HA2 H 19 4.268 4.093 0.175 1
1 122 . 14 1 1 A 19 19 GLY HA3 H 19 3.673 4.102 -0.429 1
1 123 . 14 1 1 A 19 19 GLY C C 19 173.616 174.622 -1.006 1
1 124 . 14 1 1 A 19 19 GLY CA C 19 46.257 44.918 1.339 1
1 125 . 14 1 1 A 19 19 GLY N N 19 114.021 109.861 4.160 1
1 126 . 14 1 1 A 20 20 LYS H H 20 7.978 7.383 0.595 1
1 127 . 14 1 1 A 20 20 LYS HA H 20 3.931 4.276 -0.345 1
1 136 . 14 1 1 A 20 20 LYS C C 20 174.188 175.080 -0.892 1
1 137 . 14 1 1 A 20 20 LYS CA C 20 58.366 56.337 2.029 1
1 138 . 14 1 1 A 20 20 LYS CB C 20 33.708 34.217 -0.509 1
1 142 . 14 1 1 A 20 20 LYS N N 20 122.893 120.355 2.538 1
1 143 . 14 1 1 A 21 21 ARG H H 21 7.701 7.968 -0.267 1
1 144 . 14 1 1 A 21 21 ARG HA H 21 5.225 5.449 -0.224 1
1 151 . 14 1 1 A 21 21 ARG C C 21 175.407 174.443 0.964 1
1 152 . 14 1 1 A 21 21 ARG CA C 21 54.329 54.038 0.291 1
1 153 . 14 1 1 A 21 21 ARG CB C 21 33.812 34.748 -0.936 1
1 156 . 14 1 1 A 21 21 ARG N N 21 118.953 118.524 0.429 1
1 157 . 14 1 1 A 22 22 PHE H H 22 8.809 8.930 -0.121 1
1 158 . 14 1 1 A 22 22 PHE HA H 22 4.843 4.856 -0.013 1
1 166 . 14 1 1 A 22 22 PHE C C 22 175.443 175.461 -0.018 1
1 167 . 14 1 1 A 22 22 PHE CA C 22 57.033 56.941 0.092 1
1 168 . 14 1 1 A 22 22 PHE CB C 22 43.947 43.070 0.877 1
1 174 . 14 1 1 A 22 22 PHE N N 22 116.286 118.732 -2.446 1
1 175 . 14 1 1 A 23 23 THR H H 23 8.980 8.740 0.240 1
1 176 . 14 1 1 A 23 23 THR HA H 23 4.463 4.436 0.027 1
1 181 . 14 1 1 A 23 23 THR C C 23 174.420 174.136 0.284 1
1 182 . 14 1 1 A 23 23 THR CA C 23 64.989 63.697 1.292 1
1 183 . 14 1 1 A 23 23 THR CB C 23 69.648 69.997 -0.349 1
1 185 . 14 1 1 A 23 23 THR N N 23 114.709 117.099 -2.390 1
1 186 . 14 1 1 A 24 24 GLN H H 24 7.526 7.872 -0.346 1
1 187 . 14 1 1 A 24 24 GLN HA H 24 4.809 4.425 0.384 1
1 194 . 14 1 1 A 24 24 GLN C C 24 176.247 175.085 1.162 1
1 195 . 14 1 1 A 24 24 GLN CA C 24 53.833 54.496 -0.663 1
1 196 . 14 1 1 A 24 24 GLN CB C 24 32.628 31.664 0.964 1
1 198 . 14 1 1 A 24 24 GLN N N 24 115.299 118.095 -2.796 1
1 200 . 14 1 1 A 25 25 ASN HA H 25 3.359 3.484 -0.125 1
1 205 . 14 1 1 A 25 25 ASN CA C 25 55.668 55.147 0.521 1
1 206 . 14 1 1 A 25 25 ASN CB C 25 37.930 36.913 1.017 1
1 207 . 14 1 1 A 25 25 ASN N N 25 119.000 119.713 -0.713 1
1 209 . 14 1 1 A 26 26 SER HA H 26 4.003 4.011 -0.008 1
1 212 . 14 1 1 A 26 26 SER C C 26 177.207 176.380 0.827 1
1 213 . 14 1 1 A 26 26 SER CA C 26 60.851 61.610 -0.759 1
1 214 . 14 1 1 A 26 26 SER CB C 26 61.368 63.145 -1.777 1
1 215 . 14 1 1 A 26 26 SER N N 26 118.833 115.378 3.455 1
1 216 . 14 1 1 A 27 27 GLN H H 27 6.685 7.147 -0.462 1
1 217 . 14 1 1 A 27 27 GLN HA H 27 4.060 4.012 0.048 1
1 224 . 14 1 1 A 27 27 GLN C C 27 178.447 177.657 0.790 1
1 225 . 14 1 1 A 27 27 GLN CA C 27 57.550 58.342 -0.792 1
1 226 . 14 1 1 A 27 27 GLN CB C 27 28.617 28.520 0.097 1
1 228 . 14 1 1 A 27 27 GLN N N 27 121.169 121.386 -0.217 1
1 230 . 14 1 1 A 28 28 LEU H H 28 6.836 7.173 -0.337 1
1 231 . 14 1 1 A 28 28 LEU HA H 28 3.150 2.134 1.016 1
1 241 . 14 1 1 A 28 28 LEU C C 28 177.696 178.109 -0.413 1
1 242 . 14 1 1 A 28 28 LEU CA C 28 57.849 57.384 0.465 1
1 243 . 14 1 1 A 28 28 LEU CB C 28 40.265 41.490 -1.225 1
1 247 . 14 1 1 A 28 28 LEU N N 28 121.952 121.116 0.836 1
1 248 . 14 1 1 A 29 29 HIS H H 29 8.184 8.447 -0.263 1
1 249 . 14 1 1 A 29 29 HIS HA H 29 4.354 4.301 0.053 1
1 254 . 14 1 1 A 29 29 HIS C C 29 178.575 177.258 1.317 1
1 255 . 14 1 1 A 29 29 HIS CA C 29 59.335 59.330 0.005 1
1 256 . 14 1 1 A 29 29 HIS CB C 29 30.003 29.440 0.563 1
1 259 . 14 1 1 A 29 29 HIS N N 29 118.076 117.508 0.568 1
1 260 . 14 1 1 A 30 30 SER H H 30 7.774 7.927 -0.153 1
1 261 . 14 1 1 A 30 30 SER HA H 30 4.114 4.096 0.018 1
1 264 . 14 1 1 A 30 30 SER C C 30 176.995 176.770 0.225 1
1 265 . 14 1 1 A 30 30 SER CA C 30 61.403 60.819 0.584 1
1 266 . 14 1 1 A 30 30 SER CB C 30 62.700 63.004 -0.304 1
1 267 . 14 1 1 A 30 30 SER N N 30 113.416 114.808 -1.392 1
1 268 . 14 1 1 A 31 31 HIS H H 31 7.674 7.725 -0.051 1
1 269 . 14 1 1 A 31 31 HIS HA H 31 4.244 4.253 -0.009 1
1 274 . 14 1 1 A 31 31 HIS C C 31 175.921 177.296 -1.375 1
1 275 . 14 1 1 A 31 31 HIS CA C 31 58.808 59.114 -0.306 1
1 276 . 14 1 1 A 31 31 HIS CB C 31 28.456 30.096 -1.640 1
1 279 . 14 1 1 A 31 31 HIS N N 31 121.035 120.711 0.324 1
1 280 . 14 1 1 A 32 32 GLN H H 32 8.120 8.710 -0.590 1
1 281 . 14 1 1 A 32 32 GLN HA H 32 3.662 4.256 -0.594 1
1 288 . 14 1 1 A 32 32 GLN C C 32 177.273 178.709 -1.436 1
1 289 . 14 1 1 A 32 32 GLN CA C 32 59.264 59.056 0.208 1
1 290 . 14 1 1 A 32 32 GLN CB C 32 28.135 28.295 -0.160 1
1 292 . 14 1 1 A 32 32 GLN N N 32 115.343 118.612 -3.269 1
1 294 . 14 1 1 A 33 33 ARG H H 33 7.065 7.923 -0.858 1
1 295 . 14 1 1 A 33 33 ARG HA H 33 4.124 4.036 0.088 1
1 302 . 14 1 1 A 33 33 ARG C C 33 178.476 179.245 -0.769 1
1 303 . 14 1 1 A 33 33 ARG CA C 33 58.372 58.892 -0.520 1
1 304 . 14 1 1 A 33 33 ARG CB C 33 29.919 29.794 0.125 1
1 307 . 14 1 1 A 33 33 ARG N N 33 117.435 120.265 -2.830 1
1 308 . 14 1 1 A 34 34 VAL H H 34 7.882 7.856 0.026 1
1 309 . 14 1 1 A 34 34 VAL HA H 34 3.899 3.747 0.152 1
1 317 . 14 1 1 A 34 34 VAL C C 34 177.238 177.101 0.137 1
1 318 . 14 1 1 A 34 34 VAL CA C 34 63.969 65.309 -1.340 1
1 319 . 14 1 1 A 34 34 VAL CB C 34 31.000 31.158 -0.158 1
1 322 . 14 1 1 A 34 34 VAL N N 34 116.190 116.944 -0.754 1
1 323 . 14 1 1 A 35 35 HIS H H 35 7.203 7.569 -0.366 1
1 324 . 14 1 1 A 35 35 HIS HA H 35 4.877 4.457 0.420 1
1 329 . 14 1 1 A 35 35 HIS C C 35 175.781 176.040 -0.259 1
1 330 . 14 1 1 A 35 35 HIS CA C 35 55.155 58.557 -3.402 1
1 331 . 14 1 1 A 35 35 HIS CB C 35 28.648 30.731 -2.083 1
1 334 . 14 1 1 A 35 35 HIS N N 35 117.199 119.857 -2.658 1
1 335 . 14 1 1 A 36 36 THR H H 36 7.779 7.659 0.120 1
1 336 . 14 1 1 A 36 36 THR HA H 36 4.353 4.248 0.105 1
1 341 . 14 1 1 A 36 36 THR C C 36 175.511 174.567 0.944 1
1 342 . 14 1 1 A 36 36 THR CA C 36 62.495 61.384 1.111 1
1 343 . 14 1 1 A 36 36 THR CB C 36 69.840 68.824 1.016 1
1 345 . 14 1 1 A 36 36 THR N N 36 111.736 110.127 1.609 1
1 346 . 14 1 1 A 37 37 GLY H H 37 8.231 7.680 0.551 1
1 347 . 14 1 1 A 37 37 GLY HA2 H 37 4.026 3.986 0.040 1
1 348 . 14 1 1 A 37 37 GLY HA3 H 37 3.951 3.995 -0.044 1
1 349 . 14 1 1 A 37 37 GLY C C 37 174.029 175.397 -1.368 1
1 350 . 14 1 1 A 37 37 GLY CA C 37 45.277 45.582 -0.305 1
1 351 . 14 1 1 A 37 37 GLY N N 37 110.634 110.008 0.626 1
1 352 . 14 1 1 A 38 38 GLU H H 38 8.089 8.343 -0.254 1
1 353 . 14 1 1 A 38 38 GLU HA H 38 4.246 4.181 0.065 1
1 358 . 14 1 1 A 38 38 GLU C C 38 176.458 176.257 0.201 1
1 359 . 14 1 1 A 38 38 GLU CA C 38 56.489 58.379 -1.890 1
1 360 . 14 1 1 A 38 38 GLU CB C 38 30.515 28.769 1.746 1
1 362 . 14 1 1 A 38 38 GLU N N 38 120.563 118.444 2.119 1
1 363 . 14 1 1 A 39 39 LYS H H 39 8.395 7.483 0.912 1
1 364 . 14 1 1 A 39 39 LYS HA H 39 4.604 4.774 -0.170 1
1 373 . 14 1 1 A 39 39 LYS C C 39 174.345 175.730 -1.385 1
1 374 . 14 1 1 A 39 39 LYS CA C 39 54.144 53.883 0.261 1
1 375 . 14 1 1 A 39 39 LYS CB C 39 32.504 34.053 -1.549 1
1 379 . 14 1 1 A 39 39 LYS N N 39 123.827 115.685 8.142 1
1 380 . 14 1 1 A 40 40 PRO HA H 40 4.456 4.455 0.001 1
1 387 . 14 1 1 A 40 40 PRO CA C 40 63.186 64.444 -1.258 1
1 388 . 14 1 1 A 40 40 PRO CB C 40 32.177 32.319 -0.142 1
1 391 . 14 1 1 A 41 41 SER H H 41 8.483 7.578 0.905 1
1 392 . 14 1 1 A 41 41 SER HA H 41 4.453 4.664 -0.211 1
1 395 . 14 1 1 A 41 41 SER CA C 41 58.591 57.127 1.464 1
1 396 . 14 1 1 A 41 41 SER CB C 41 63.944 65.186 -1.242 1
1 397 . 14 1 1 A 41 41 SER N N 41 116.550 111.564 4.986 1
1 398 . 14 1 1 A 42 42 GLY H H 42 8.230 8.317 -0.087 1
1 399 . 14 1 1 A 42 42 GLY HA2 H 42 4.159 4.209 -0.050 1
1 400 . 14 1 1 A 42 42 GLY HA3 H 42 4.111 4.210 -0.099 1
1 401 . 14 1 1 A 42 42 GLY CA C 42 44.656 45.531 -0.875 1
1 402 . 14 1 1 A 42 42 GLY N N 42 110.653 109.962 0.691 1
1 403 . 14 1 1 A 43 43 PRO HA H 43 4.466 4.480 -0.014 1
1 410 . 14 1 1 A 43 43 PRO CA C 43 63.318 62.718 0.600 1
1 411 . 14 1 1 A 43 43 PRO CB C 43 32.206 32.269 -0.063 1
1 414 . 14 1 1 A 44 44 SER H H 44 8.485 8.454 0.031 1
1 1 . 15 1 1 A 9 9 GLY H H 9 8.233 8.517 -0.284 1
1 2 . 15 1 1 A 9 9 GLY HA2 H 9 4.025 4.031 -0.006 1
1 3 . 15 1 1 A 9 9 GLY HA3 H 9 3.948 4.034 -0.086 1
1 4 . 15 1 1 A 9 9 GLY C C 9 174.022 173.629 0.393 1
1 5 . 15 1 1 A 9 9 GLY CA C 9 45.367 44.570 0.797 1
1 6 . 15 1 1 A 9 9 GLY N N 9 110.543 111.780 -1.237 1
1 7 . 15 1 1 A 10 10 GLU H H 10 8.175 8.352 -0.177 1
1 8 . 15 1 1 A 10 10 GLU HA H 10 4.187 5.023 -0.836 1
1 13 . 15 1 1 A 10 10 GLU C C 10 176.220 175.372 0.848 1
1 14 . 15 1 1 A 10 10 GLU CA C 10 56.730 54.756 1.974 1
1 15 . 15 1 1 A 10 10 GLU CB C 10 30.395 33.134 -2.739 1
1 17 . 15 1 1 A 10 10 GLU N N 10 120.194 120.759 -0.565 1
1 18 . 15 1 1 A 11 11 LYS H H 11 8.391 8.493 -0.102 1
1 19 . 15 1 1 A 11 11 LYS HA H 11 4.528 5.038 -0.510 1
1 28 . 15 1 1 A 11 11 LYS C C 11 174.468 175.579 -1.111 1
1 29 . 15 1 1 A 11 11 LYS CA C 11 54.112 52.725 1.387 1
1 30 . 15 1 1 A 11 11 LYS CB C 11 33.635 34.862 -1.227 1
1 34 . 15 1 1 A 11 11 LYS N N 11 121.933 124.094 -2.161 1
1 35 . 15 1 1 A 12 12 PRO HA H 12 4.229 4.420 -0.191 1
1 42 . 15 1 1 A 12 12 PRO C C 12 176.420 176.148 0.272 1
1 43 . 15 1 1 A 12 12 PRO CA C 12 63.948 64.480 -0.532 1
1 44 . 15 1 1 A 12 12 PRO CB C 12 32.366 31.773 0.593 1
1 47 . 15 1 1 A 13 13 PHE H H 13 7.694 7.350 0.344 1
1 48 . 15 1 1 A 13 13 PHE HA H 13 4.700 5.048 -0.348 1
1 56 . 15 1 1 A 13 13 PHE C C 13 174.071 174.643 -0.572 1
1 57 . 15 1 1 A 13 13 PHE CA C 13 57.784 57.446 0.338 1
1 58 . 15 1 1 A 13 13 PHE CB C 13 39.605 40.806 -1.201 1
1 64 . 15 1 1 A 13 13 PHE N N 13 117.427 118.515 -1.088 1
1 65 . 15 1 1 A 14 14 LYS H H 14 8.784 8.989 -0.205 1
1 66 . 15 1 1 A 14 14 LYS HA H 14 4.976 5.478 -0.502 1
1 75 . 15 1 1 A 14 14 LYS C C 14 174.467 175.013 -0.546 1
1 76 . 15 1 1 A 14 14 LYS CA C 14 54.862 54.761 0.101 1
1 77 . 15 1 1 A 14 14 LYS CB C 14 36.253 36.671 -0.418 1
1 81 . 15 1 1 A 14 14 LYS N N 14 125.268 122.778 2.490 1
1 82 . 15 1 1 A 15 15 CYS H H 15 9.301 9.208 0.093 1
1 83 . 15 1 1 A 15 15 CYS HA H 15 4.615 4.621 -0.006 1
1 86 . 15 1 1 A 15 15 CYS C C 15 177.056 175.566 1.490 1
1 87 . 15 1 1 A 15 15 CYS CA C 15 59.312 59.000 0.312 1
1 88 . 15 1 1 A 15 15 CYS CB C 15 29.488 27.605 1.883 1
1 89 . 15 1 1 A 15 15 CYS N N 15 128.099 125.282 2.817 1
1 90 . 15 1 1 A 16 16 GLU H H 16 9.566 8.362 1.204 1
1 91 . 15 1 1 A 16 16 GLU HA H 16 4.132 4.119 0.013 1
1 96 . 15 1 1 A 16 16 GLU C C 16 177.004 178.494 -1.490 1
1 97 . 15 1 1 A 16 16 GLU CA C 16 58.483 59.184 -0.701 1
1 98 . 15 1 1 A 16 16 GLU CB C 16 29.405 29.305 0.100 1
1 100 . 15 1 1 A 16 16 GLU N N 16 132.079 126.958 5.121 1
1 101 . 15 1 1 A 17 17 GLU H H 17 8.515 8.340 0.175 1
1 102 . 15 1 1 A 17 17 GLU HA H 17 4.166 3.929 0.237 1
1 107 . 15 1 1 A 17 17 GLU C C 17 177.263 178.222 -0.959 1
1 108 . 15 1 1 A 17 17 GLU CA C 17 58.536 58.626 -0.090 1
1 109 . 15 1 1 A 17 17 GLU CB C 17 29.369 28.596 0.773 1
1 111 . 15 1 1 A 17 17 GLU N N 17 119.982 120.375 -0.393 1
1 112 . 15 1 1 A 18 18 CYS H H 18 7.938 7.476 0.462 1
1 113 . 15 1 1 A 18 18 CYS HA H 18 5.196 4.668 0.528 1
1 116 . 15 1 1 A 18 18 CYS C C 18 176.278 175.531 0.747 1
1 117 . 15 1 1 A 18 18 CYS CA C 18 58.263 59.391 -1.128 1
1 118 . 15 1 1 A 18 18 CYS CB C 18 32.587 30.020 2.567 1
1 119 . 15 1 1 A 18 18 CYS N N 18 114.272 114.648 -0.376 1
1 120 . 15 1 1 A 19 19 GLY H H 19 8.314 8.345 -0.031 1
1 121 . 15 1 1 A 19 19 GLY HA2 H 19 4.268 4.085 0.183 1
1 122 . 15 1 1 A 19 19 GLY HA3 H 19 3.673 4.095 -0.422 1
1 123 . 15 1 1 A 19 19 GLY C C 19 173.616 174.588 -0.972 1
1 124 . 15 1 1 A 19 19 GLY CA C 19 46.257 44.879 1.378 1
1 125 . 15 1 1 A 19 19 GLY N N 19 114.021 109.825 4.196 1
1 126 . 15 1 1 A 20 20 LYS H H 20 7.978 7.351 0.627 1
1 127 . 15 1 1 A 20 20 LYS HA H 20 3.931 4.271 -0.340 1
1 136 . 15 1 1 A 20 20 LYS C C 20 174.188 175.070 -0.882 1
1 137 . 15 1 1 A 20 20 LYS CA C 20 58.366 56.323 2.043 1
1 138 . 15 1 1 A 20 20 LYS CB C 20 33.708 34.198 -0.490 1
1 142 . 15 1 1 A 20 20 LYS N N 20 122.893 120.349 2.544 1
1 143 . 15 1 1 A 21 21 ARG H H 21 7.701 7.977 -0.276 1
1 144 . 15 1 1 A 21 21 ARG HA H 21 5.225 5.462 -0.237 1
1 151 . 15 1 1 A 21 21 ARG C C 21 175.407 174.464 0.943 1
1 152 . 15 1 1 A 21 21 ARG CA C 21 54.329 54.159 0.170 1
1 153 . 15 1 1 A 21 21 ARG CB C 21 33.812 34.548 -0.736 1
1 156 . 15 1 1 A 21 21 ARG N N 21 118.953 118.516 0.437 1
1 157 . 15 1 1 A 22 22 PHE H H 22 8.809 9.071 -0.262 1
1 158 . 15 1 1 A 22 22 PHE HA H 22 4.843 4.908 -0.065 1
1 166 . 15 1 1 A 22 22 PHE C C 22 175.443 175.581 -0.138 1
1 167 . 15 1 1 A 22 22 PHE CA C 22 57.033 56.956 0.077 1
1 168 . 15 1 1 A 22 22 PHE CB C 22 43.947 43.036 0.911 1
1 174 . 15 1 1 A 22 22 PHE N N 22 116.286 119.622 -3.336 1
1 175 . 15 1 1 A 23 23 THR H H 23 8.980 8.721 0.259 1
1 176 . 15 1 1 A 23 23 THR HA H 23 4.463 4.511 -0.048 1
1 181 . 15 1 1 A 23 23 THR C C 23 174.420 174.086 0.334 1
1 182 . 15 1 1 A 23 23 THR CA C 23 64.989 63.615 1.374 1
1 183 . 15 1 1 A 23 23 THR CB C 23 69.648 69.870 -0.222 1
1 185 . 15 1 1 A 23 23 THR N N 23 114.709 117.287 -2.578 1
1 186 . 15 1 1 A 24 24 GLN H H 24 7.526 7.660 -0.134 1
1 187 . 15 1 1 A 24 24 GLN HA H 24 4.809 4.441 0.368 1
1 194 . 15 1 1 A 24 24 GLN C C 24 176.247 175.379 0.868 1
1 195 . 15 1 1 A 24 24 GLN CA C 24 53.833 54.140 -0.307 1
1 196 . 15 1 1 A 24 24 GLN CB C 24 32.628 32.072 0.556 1
1 198 . 15 1 1 A 24 24 GLN N N 24 115.299 118.720 -3.421 1
1 200 . 15 1 1 A 25 25 ASN HA H 25 3.359 3.625 -0.266 1
1 205 . 15 1 1 A 25 25 ASN CA C 25 55.668 55.438 0.230 1
1 206 . 15 1 1 A 25 25 ASN CB C 25 37.930 37.060 0.870 1
1 207 . 15 1 1 A 25 25 ASN N N 25 119.000 120.741 -1.741 1
1 209 . 15 1 1 A 26 26 SER HA H 26 4.003 3.927 0.076 1
1 212 . 15 1 1 A 26 26 SER C C 26 177.207 176.916 0.291 1
1 213 . 15 1 1 A 26 26 SER CA C 26 60.851 61.285 -0.434 1
1 214 . 15 1 1 A 26 26 SER CB C 26 61.368 62.917 -1.549 1
1 215 . 15 1 1 A 26 26 SER N N 26 118.833 114.104 4.729 1
1 216 . 15 1 1 A 27 27 GLN H H 27 6.685 7.718 -1.033 1
1 217 . 15 1 1 A 27 27 GLN HA H 27 4.060 3.893 0.167 1
1 224 . 15 1 1 A 27 27 GLN C C 27 178.447 177.671 0.776 1
1 225 . 15 1 1 A 27 27 GLN CA C 27 57.550 58.684 -1.134 1
1 226 . 15 1 1 A 27 27 GLN CB C 27 28.617 28.296 0.321 1
1 228 . 15 1 1 A 27 27 GLN N N 27 121.169 121.616 -0.447 1
1 230 . 15 1 1 A 28 28 LEU H H 28 6.836 7.318 -0.482 1
1 231 . 15 1 1 A 28 28 LEU HA H 28 3.150 2.401 0.749 1
1 241 . 15 1 1 A 28 28 LEU C C 28 177.696 178.064 -0.368 1
1 242 . 15 1 1 A 28 28 LEU CA C 28 57.849 57.472 0.377 1
1 243 . 15 1 1 A 28 28 LEU CB C 28 40.265 41.627 -1.362 1
1 247 . 15 1 1 A 28 28 LEU N N 28 121.952 121.311 0.641 1
1 248 . 15 1 1 A 29 29 HIS H H 29 8.184 8.905 -0.721 1
1 249 . 15 1 1 A 29 29 HIS HA H 29 4.354 4.299 0.055 1
1 254 . 15 1 1 A 29 29 HIS C C 29 178.575 176.980 1.595 1
1 255 . 15 1 1 A 29 29 HIS CA C 29 59.335 59.244 0.091 1
1 256 . 15 1 1 A 29 29 HIS CB C 29 30.003 29.736 0.267 1
1 259 . 15 1 1 A 29 29 HIS N N 29 118.076 117.098 0.978 1
1 260 . 15 1 1 A 30 30 SER H H 30 7.774 7.745 0.029 1
1 261 . 15 1 1 A 30 30 SER HA H 30 4.114 4.219 -0.105 1
1 264 . 15 1 1 A 30 30 SER C C 30 176.995 176.990 0.005 1
1 265 . 15 1 1 A 30 30 SER CA C 30 61.403 60.561 0.842 1
1 266 . 15 1 1 A 30 30 SER CB C 30 62.700 62.861 -0.161 1
1 267 . 15 1 1 A 30 30 SER N N 30 113.416 115.134 -1.718 1
1 268 . 15 1 1 A 31 31 HIS H H 31 7.674 7.706 -0.032 1
1 269 . 15 1 1 A 31 31 HIS HA H 31 4.244 4.205 0.039 1
1 274 . 15 1 1 A 31 31 HIS C C 31 175.921 177.170 -1.249 1
1 275 . 15 1 1 A 31 31 HIS CA C 31 58.808 59.211 -0.403 1
1 276 . 15 1 1 A 31 31 HIS CB C 31 28.456 30.127 -1.671 1
1 279 . 15 1 1 A 31 31 HIS N N 31 121.035 120.968 0.067 1
1 280 . 15 1 1 A 32 32 GLN H H 32 8.120 8.638 -0.518 1
1 281 . 15 1 1 A 32 32 GLN HA H 32 3.662 4.077 -0.415 1
1 288 . 15 1 1 A 32 32 GLN C C 32 177.273 178.534 -1.261 1
1 289 . 15 1 1 A 32 32 GLN CA C 32 59.264 58.973 0.291 1
1 290 . 15 1 1 A 32 32 GLN CB C 32 28.135 28.125 0.010 1
1 292 . 15 1 1 A 32 32 GLN N N 32 115.343 118.435 -3.092 1
1 294 . 15 1 1 A 33 33 ARG H H 33 7.065 7.994 -0.929 1
1 295 . 15 1 1 A 33 33 ARG HA H 33 4.124 4.228 -0.104 1
1 302 . 15 1 1 A 33 33 ARG C C 33 178.476 178.896 -0.420 1
1 303 . 15 1 1 A 33 33 ARG CA C 33 58.372 58.905 -0.533 1
1 304 . 15 1 1 A 33 33 ARG CB C 33 29.919 29.816 0.103 1
1 307 . 15 1 1 A 33 33 ARG N N 33 117.435 120.146 -2.711 1
1 308 . 15 1 1 A 34 34 VAL H H 34 7.882 7.877 0.005 1
1 309 . 15 1 1 A 34 34 VAL HA H 34 3.899 3.725 0.174 1
1 317 . 15 1 1 A 34 34 VAL C C 34 177.238 176.543 0.695 1
1 318 . 15 1 1 A 34 34 VAL CA C 34 63.969 65.079 -1.110 1
1 319 . 15 1 1 A 34 34 VAL CB C 34 31.000 31.113 -0.113 1
1 322 . 15 1 1 A 34 34 VAL N N 34 116.190 116.690 -0.500 1
1 323 . 15 1 1 A 35 35 HIS H H 35 7.203 7.615 -0.412 1
1 324 . 15 1 1 A 35 35 HIS HA H 35 4.877 4.444 0.433 1
1 329 . 15 1 1 A 35 35 HIS C C 35 175.781 177.648 -1.867 1
1 330 . 15 1 1 A 35 35 HIS CA C 35 55.155 58.079 -2.924 1
1 331 . 15 1 1 A 35 35 HIS CB C 35 28.648 30.890 -2.242 1
1 334 . 15 1 1 A 35 35 HIS N N 35 117.199 119.893 -2.694 1
1 335 . 15 1 1 A 36 36 THR H H 36 7.779 8.184 -0.405 1
1 336 . 15 1 1 A 36 36 THR HA H 36 4.353 4.069 0.284 1
1 341 . 15 1 1 A 36 36 THR C C 36 175.511 176.015 -0.504 1
1 342 . 15 1 1 A 36 36 THR CA C 36 62.495 65.101 -2.606 1
1 343 . 15 1 1 A 36 36 THR CB C 36 69.840 68.451 1.389 1
1 345 . 15 1 1 A 36 36 THR N N 36 111.736 112.719 -0.983 1
1 346 . 15 1 1 A 37 37 GLY H H 37 8.231 8.026 0.205 1
1 347 . 15 1 1 A 37 37 GLY HA2 H 37 4.026 3.833 0.193 1
1 348 . 15 1 1 A 37 37 GLY HA3 H 37 3.951 3.844 0.107 1
1 349 . 15 1 1 A 37 37 GLY C C 37 174.029 173.552 0.477 1
1 350 . 15 1 1 A 37 37 GLY CA C 37 45.277 45.821 -0.544 1
1 351 . 15 1 1 A 37 37 GLY N N 37 110.634 108.411 2.223 1
1 352 . 15 1 1 A 38 38 GLU H H 38 8.089 7.830 0.259 1
1 353 . 15 1 1 A 38 38 GLU HA H 38 4.246 4.692 -0.446 1
1 358 . 15 1 1 A 38 38 GLU C C 38 176.458 174.493 1.965 1
1 359 . 15 1 1 A 38 38 GLU CA C 38 56.489 55.814 0.675 1
1 360 . 15 1 1 A 38 38 GLU CB C 38 30.515 32.578 -2.063 1
1 362 . 15 1 1 A 38 38 GLU N N 38 120.563 120.910 -0.347 1
1 363 . 15 1 1 A 39 39 LYS H H 39 8.395 8.426 -0.031 1
1 364 . 15 1 1 A 39 39 LYS HA H 39 4.604 4.486 0.118 1
1 373 . 15 1 1 A 39 39 LYS C C 39 174.345 174.681 -0.336 1
1 374 . 15 1 1 A 39 39 LYS CA C 39 54.144 54.832 -0.688 1
1 375 . 15 1 1 A 39 39 LYS CB C 39 32.504 32.100 0.404 1
1 379 . 15 1 1 A 39 39 LYS N N 39 123.827 126.526 -2.699 1
1 380 . 15 1 1 A 40 40 PRO HA H 40 4.456 4.676 -0.220 1
1 387 . 15 1 1 A 40 40 PRO CA C 40 63.186 62.718 0.468 1
1 388 . 15 1 1 A 40 40 PRO CB C 40 32.177 32.601 -0.424 1
1 391 . 15 1 1 A 41 41 SER H H 41 8.483 8.549 -0.066 1
1 392 . 15 1 1 A 41 41 SER HA H 41 4.453 4.757 -0.304 1
1 395 . 15 1 1 A 41 41 SER CA C 41 58.591 56.664 1.927 1
1 396 . 15 1 1 A 41 41 SER CB C 41 63.944 63.762 0.182 1
1 397 . 15 1 1 A 41 41 SER N N 41 116.550 116.969 -0.419 1
1 398 . 15 1 1 A 42 42 GLY H H 42 8.230 8.249 -0.019 1
1 399 . 15 1 1 A 42 42 GLY HA2 H 42 4.159 4.130 0.029 1
1 400 . 15 1 1 A 42 42 GLY HA3 H 42 4.111 4.130 -0.019 1
1 401 . 15 1 1 A 42 42 GLY CA C 42 44.656 45.361 -0.705 1
1 402 . 15 1 1 A 42 42 GLY N N 42 110.653 113.582 -2.929 1
1 403 . 15 1 1 A 43 43 PRO HA H 43 4.466 4.718 -0.252 1
1 410 . 15 1 1 A 43 43 PRO CA C 43 63.318 62.736 0.582 1
1 411 . 15 1 1 A 43 43 PRO CB C 43 32.206 31.612 0.594 1
1 414 . 15 1 1 A 44 44 SER H H 44 8.485 8.696 -0.211 1
1 1 . 16 1 1 A 9 9 GLY H H 9 8.233 8.219 0.014 1
1 2 . 16 1 1 A 9 9 GLY HA2 H 9 4.025 4.082 -0.057 1
1 3 . 16 1 1 A 9 9 GLY HA3 H 9 3.948 4.082 -0.134 1
1 4 . 16 1 1 A 9 9 GLY C C 9 174.022 172.636 1.386 1
1 5 . 16 1 1 A 9 9 GLY CA C 9 45.367 44.885 0.482 1
1 6 . 16 1 1 A 9 9 GLY N N 9 110.543 113.227 -2.684 1
1 7 . 16 1 1 A 10 10 GLU H H 10 8.175 8.359 -0.184 1
1 8 . 16 1 1 A 10 10 GLU HA H 10 4.187 4.502 -0.315 1
1 13 . 16 1 1 A 10 10 GLU C C 10 176.220 175.955 0.265 1
1 14 . 16 1 1 A 10 10 GLU CA C 10 56.730 56.397 0.333 1
1 15 . 16 1 1 A 10 10 GLU CB C 10 30.395 30.851 -0.456 1
1 17 . 16 1 1 A 10 10 GLU N N 10 120.194 120.364 -0.170 1
1 18 . 16 1 1 A 11 11 LYS H H 11 8.391 8.419 -0.028 1
1 19 . 16 1 1 A 11 11 LYS HA H 11 4.528 4.967 -0.439 1
1 28 . 16 1 1 A 11 11 LYS C C 11 174.468 175.721 -1.253 1
1 29 . 16 1 1 A 11 11 LYS CA C 11 54.112 52.598 1.514 1
1 30 . 16 1 1 A 11 11 LYS CB C 11 33.635 35.436 -1.801 1
1 34 . 16 1 1 A 11 11 LYS N N 11 121.933 121.208 0.725 1
1 35 . 16 1 1 A 12 12 PRO HA H 12 4.229 4.426 -0.197 1
1 42 . 16 1 1 A 12 12 PRO C C 12 176.420 176.081 0.339 1
1 43 . 16 1 1 A 12 12 PRO CA C 12 63.948 64.314 -0.366 1
1 44 . 16 1 1 A 12 12 PRO CB C 12 32.366 31.677 0.689 1
1 47 . 16 1 1 A 13 13 PHE H H 13 7.694 7.314 0.380 1
1 48 . 16 1 1 A 13 13 PHE HA H 13 4.700 5.120 -0.420 1
1 56 . 16 1 1 A 13 13 PHE C C 13 174.071 174.384 -0.313 1
1 57 . 16 1 1 A 13 13 PHE CA C 13 57.784 56.952 0.832 1
1 58 . 16 1 1 A 13 13 PHE CB C 13 39.605 41.616 -2.011 1
1 64 . 16 1 1 A 13 13 PHE N N 13 117.427 118.443 -1.016 1
1 65 . 16 1 1 A 14 14 LYS H H 14 8.784 8.885 -0.101 1
1 66 . 16 1 1 A 14 14 LYS HA H 14 4.976 5.349 -0.373 1
1 75 . 16 1 1 A 14 14 LYS C C 14 174.467 174.959 -0.492 1
1 76 . 16 1 1 A 14 14 LYS CA C 14 54.862 54.928 -0.066 1
1 77 . 16 1 1 A 14 14 LYS CB C 14 36.253 36.513 -0.260 1
1 81 . 16 1 1 A 14 14 LYS N N 14 125.268 122.253 3.015 1
1 82 . 16 1 1 A 15 15 CYS H H 15 9.301 9.089 0.212 1
1 83 . 16 1 1 A 15 15 CYS HA H 15 4.615 4.677 -0.062 1
1 86 . 16 1 1 A 15 15 CYS C C 15 177.056 175.924 1.132 1
1 87 . 16 1 1 A 15 15 CYS CA C 15 59.312 59.242 0.070 1
1 88 . 16 1 1 A 15 15 CYS CB C 15 29.488 28.106 1.382 1
1 89 . 16 1 1 A 15 15 CYS N N 15 128.099 125.380 2.719 1
1 90 . 16 1 1 A 16 16 GLU H H 16 9.566 8.868 0.698 1
1 91 . 16 1 1 A 16 16 GLU HA H 16 4.132 4.112 0.020 1
1 96 . 16 1 1 A 16 16 GLU C C 16 177.004 178.485 -1.481 1
1 97 . 16 1 1 A 16 16 GLU CA C 16 58.483 59.186 -0.703 1
1 98 . 16 1 1 A 16 16 GLU CB C 16 29.405 29.329 0.076 1
1 100 . 16 1 1 A 16 16 GLU N N 16 132.079 127.545 4.534 1
1 101 . 16 1 1 A 17 17 GLU H H 17 8.515 8.321 0.194 1
1 102 . 16 1 1 A 17 17 GLU HA H 17 4.166 3.902 0.264 1
1 107 . 16 1 1 A 17 17 GLU C C 17 177.263 178.314 -1.051 1
1 108 . 16 1 1 A 17 17 GLU CA C 17 58.536 58.545 -0.009 1
1 109 . 16 1 1 A 17 17 GLU CB C 17 29.369 28.399 0.970 1
1 111 . 16 1 1 A 17 17 GLU N N 17 119.982 120.482 -0.500 1
1 112 . 16 1 1 A 18 18 CYS H H 18 7.938 7.898 0.040 1
1 113 . 16 1 1 A 18 18 CYS HA H 18 5.196 4.733 0.463 1
1 116 . 16 1 1 A 18 18 CYS C C 18 176.278 175.612 0.666 1
1 117 . 16 1 1 A 18 18 CYS CA C 18 58.263 59.473 -1.210 1
1 118 . 16 1 1 A 18 18 CYS CB C 18 32.587 30.203 2.384 1
1 119 . 16 1 1 A 18 18 CYS N N 18 114.272 114.606 -0.334 1
1 120 . 16 1 1 A 19 19 GLY H H 19 8.314 8.245 0.069 1
1 121 . 16 1 1 A 19 19 GLY HA2 H 19 4.268 4.092 0.176 1
1 122 . 16 1 1 A 19 19 GLY HA3 H 19 3.673 4.101 -0.428 1
1 123 . 16 1 1 A 19 19 GLY C C 19 173.616 174.746 -1.130 1
1 124 . 16 1 1 A 19 19 GLY CA C 19 46.257 44.944 1.313 1
1 125 . 16 1 1 A 19 19 GLY N N 19 114.021 109.850 4.171 1
1 126 . 16 1 1 A 20 20 LYS H H 20 7.978 7.337 0.641 1
1 127 . 16 1 1 A 20 20 LYS HA H 20 3.931 4.264 -0.333 1
1 136 . 16 1 1 A 20 20 LYS C C 20 174.188 175.211 -1.023 1
1 137 . 16 1 1 A 20 20 LYS CA C 20 58.366 56.271 2.095 1
1 138 . 16 1 1 A 20 20 LYS CB C 20 33.708 34.177 -0.469 1
1 142 . 16 1 1 A 20 20 LYS N N 20 122.893 120.411 2.482 1
1 143 . 16 1 1 A 21 21 ARG H H 21 7.701 7.951 -0.250 1
1 144 . 16 1 1 A 21 21 ARG HA H 21 5.225 5.415 -0.190 1
1 151 . 16 1 1 A 21 21 ARG C C 21 175.407 174.416 0.991 1
1 152 . 16 1 1 A 21 21 ARG CA C 21 54.329 54.315 0.014 1
1 153 . 16 1 1 A 21 21 ARG CB C 21 33.812 34.563 -0.751 1
1 156 . 16 1 1 A 21 21 ARG N N 21 118.953 118.609 0.344 1
1 157 . 16 1 1 A 22 22 PHE H H 22 8.809 8.929 -0.120 1
1 158 . 16 1 1 A 22 22 PHE HA H 22 4.843 4.913 -0.070 1
1 166 . 16 1 1 A 22 22 PHE C C 22 175.443 175.527 -0.084 1
1 167 . 16 1 1 A 22 22 PHE CA C 22 57.033 56.938 0.095 1
1 168 . 16 1 1 A 22 22 PHE CB C 22 43.947 43.081 0.866 1
1 174 . 16 1 1 A 22 22 PHE N N 22 116.286 119.693 -3.407 1
1 175 . 16 1 1 A 23 23 THR H H 23 8.980 8.735 0.245 1
1 176 . 16 1 1 A 23 23 THR HA H 23 4.463 4.461 0.002 1
1 181 . 16 1 1 A 23 23 THR C C 23 174.420 174.108 0.312 1
1 182 . 16 1 1 A 23 23 THR CA C 23 64.989 63.602 1.387 1
1 183 . 16 1 1 A 23 23 THR CB C 23 69.648 69.926 -0.278 1
1 185 . 16 1 1 A 23 23 THR N N 23 114.709 117.057 -2.348 1
1 186 . 16 1 1 A 24 24 GLN H H 24 7.526 7.604 -0.078 1
1 187 . 16 1 1 A 24 24 GLN HA H 24 4.809 4.366 0.443 1
1 194 . 16 1 1 A 24 24 GLN C C 24 176.247 175.329 0.918 1
1 195 . 16 1 1 A 24 24 GLN CA C 24 53.833 54.071 -0.238 1
1 196 . 16 1 1 A 24 24 GLN CB C 24 32.628 32.179 0.449 1
1 198 . 16 1 1 A 24 24 GLN N N 24 115.299 118.317 -3.018 1
1 200 . 16 1 1 A 25 25 ASN HA H 25 3.359 3.615 -0.256 1
1 205 . 16 1 1 A 25 25 ASN CA C 25 55.668 55.496 0.172 1
1 206 . 16 1 1 A 25 25 ASN CB C 25 37.930 37.178 0.752 1
1 207 . 16 1 1 A 25 25 ASN N N 25 119.000 119.869 -0.869 1
1 209 . 16 1 1 A 26 26 SER HA H 26 4.003 4.035 -0.032 1
1 212 . 16 1 1 A 26 26 SER C C 26 177.207 176.589 0.618 1
1 213 . 16 1 1 A 26 26 SER CA C 26 60.851 61.576 -0.725 1
1 214 . 16 1 1 A 26 26 SER CB C 26 61.368 62.838 -1.470 1
1 215 . 16 1 1 A 26 26 SER N N 26 118.833 115.359 3.474 1
1 216 . 16 1 1 A 27 27 GLN H H 27 6.685 7.843 -1.158 1
1 217 . 16 1 1 A 27 27 GLN HA H 27 4.060 3.877 0.183 1
1 224 . 16 1 1 A 27 27 GLN C C 27 178.447 177.679 0.768 1
1 225 . 16 1 1 A 27 27 GLN CA C 27 57.550 58.671 -1.121 1
1 226 . 16 1 1 A 27 27 GLN CB C 27 28.617 28.273 0.344 1
1 228 . 16 1 1 A 27 27 GLN N N 27 121.169 121.003 0.166 1
1 230 . 16 1 1 A 28 28 LEU H H 28 6.836 7.227 -0.391 1
1 231 . 16 1 1 A 28 28 LEU HA H 28 3.150 2.265 0.885 1
1 241 . 16 1 1 A 28 28 LEU C C 28 177.696 178.192 -0.496 1
1 242 . 16 1 1 A 28 28 LEU CA C 28 57.849 57.449 0.400 1
1 243 . 16 1 1 A 28 28 LEU CB C 28 40.265 41.538 -1.273 1
1 247 . 16 1 1 A 28 28 LEU N N 28 121.952 121.219 0.733 1
1 248 . 16 1 1 A 29 29 HIS H H 29 8.184 8.717 -0.533 1
1 249 . 16 1 1 A 29 29 HIS HA H 29 4.354 4.347 0.007 1
1 254 . 16 1 1 A 29 29 HIS C C 29 178.575 177.108 1.467 1
1 255 . 16 1 1 A 29 29 HIS CA C 29 59.335 59.285 0.050 1
1 256 . 16 1 1 A 29 29 HIS CB C 29 30.003 29.526 0.477 1
1 259 . 16 1 1 A 29 29 HIS N N 29 118.076 117.086 0.990 1
1 260 . 16 1 1 A 30 30 SER H H 30 7.774 7.858 -0.084 1
1 261 . 16 1 1 A 30 30 SER HA H 30 4.114 4.166 -0.052 1
1 264 . 16 1 1 A 30 30 SER C C 30 176.995 176.919 0.076 1
1 265 . 16 1 1 A 30 30 SER CA C 30 61.403 60.532 0.871 1
1 266 . 16 1 1 A 30 30 SER CB C 30 62.700 62.891 -0.191 1
1 267 . 16 1 1 A 30 30 SER N N 30 113.416 115.159 -1.743 1
1 268 . 16 1 1 A 31 31 HIS H H 31 7.674 7.815 -0.141 1
1 269 . 16 1 1 A 31 31 HIS HA H 31 4.244 4.223 0.021 1
1 274 . 16 1 1 A 31 31 HIS C C 31 175.921 177.197 -1.276 1
1 275 . 16 1 1 A 31 31 HIS CA C 31 58.808 59.341 -0.533 1
1 276 . 16 1 1 A 31 31 HIS CB C 31 28.456 30.161 -1.705 1
1 279 . 16 1 1 A 31 31 HIS N N 31 121.035 120.982 0.053 1
1 280 . 16 1 1 A 32 32 GLN H H 32 8.120 8.727 -0.607 1
1 281 . 16 1 1 A 32 32 GLN HA H 32 3.662 4.226 -0.564 1
1 288 . 16 1 1 A 32 32 GLN C C 32 177.273 178.590 -1.317 1
1 289 . 16 1 1 A 32 32 GLN CA C 32 59.264 58.918 0.346 1
1 290 . 16 1 1 A 32 32 GLN CB C 32 28.135 28.233 -0.098 1
1 292 . 16 1 1 A 32 32 GLN N N 32 115.343 118.548 -3.205 1
1 294 . 16 1 1 A 33 33 ARG H H 33 7.065 8.075 -1.010 1
1 295 . 16 1 1 A 33 33 ARG HA H 33 4.124 4.212 -0.088 1
1 302 . 16 1 1 A 33 33 ARG C C 33 178.476 179.024 -0.548 1
1 303 . 16 1 1 A 33 33 ARG CA C 33 58.372 58.953 -0.581 1
1 304 . 16 1 1 A 33 33 ARG CB C 33 29.919 29.781 0.138 1
1 307 . 16 1 1 A 33 33 ARG N N 33 117.435 120.489 -3.054 1
1 308 . 16 1 1 A 34 34 VAL H H 34 7.882 7.922 -0.040 1
1 309 . 16 1 1 A 34 34 VAL HA H 34 3.899 3.722 0.177 1
1 317 . 16 1 1 A 34 34 VAL C C 34 177.238 177.212 0.026 1
1 318 . 16 1 1 A 34 34 VAL CA C 34 63.969 65.293 -1.324 1
1 319 . 16 1 1 A 34 34 VAL CB C 34 31.000 31.195 -0.195 1
1 322 . 16 1 1 A 34 34 VAL N N 34 116.190 116.563 -0.373 1
1 323 . 16 1 1 A 35 35 HIS H H 35 7.203 7.816 -0.613 1
1 324 . 16 1 1 A 35 35 HIS HA H 35 4.877 4.465 0.412 1
1 329 . 16 1 1 A 35 35 HIS C C 35 175.781 176.010 -0.229 1
1 330 . 16 1 1 A 35 35 HIS CA C 35 55.155 58.157 -3.002 1
1 331 . 16 1 1 A 35 35 HIS CB C 35 28.648 30.847 -2.199 1
1 334 . 16 1 1 A 35 35 HIS N N 35 117.199 119.905 -2.706 1
1 335 . 16 1 1 A 36 36 THR H H 36 7.779 7.668 0.111 1
1 336 . 16 1 1 A 36 36 THR HA H 36 4.353 4.341 0.012 1
1 341 . 16 1 1 A 36 36 THR C C 36 175.511 175.100 0.411 1
1 342 . 16 1 1 A 36 36 THR CA C 36 62.495 61.216 1.279 1
1 343 . 16 1 1 A 36 36 THR CB C 36 69.840 68.894 0.946 1
1 345 . 16 1 1 A 36 36 THR N N 36 111.736 107.200 4.536 1
1 346 . 16 1 1 A 37 37 GLY H H 37 8.231 7.578 0.653 1
1 347 . 16 1 1 A 37 37 GLY HA2 H 37 4.026 4.063 -0.037 1
1 348 . 16 1 1 A 37 37 GLY HA3 H 37 3.951 4.073 -0.122 1
1 349 . 16 1 1 A 37 37 GLY C C 37 174.029 173.772 0.257 1
1 350 . 16 1 1 A 37 37 GLY CA C 37 45.277 45.713 -0.436 1
1 351 . 16 1 1 A 37 37 GLY N N 37 110.634 109.169 1.465 1
1 352 . 16 1 1 A 38 38 GLU H H 38 8.089 7.686 0.403 1
1 353 . 16 1 1 A 38 38 GLU HA H 38 4.246 4.760 -0.514 1
1 358 . 16 1 1 A 38 38 GLU C C 38 176.458 174.524 1.934 1
1 359 . 16 1 1 A 38 38 GLU CA C 38 56.489 56.018 0.471 1
1 360 . 16 1 1 A 38 38 GLU CB C 38 30.515 33.477 -2.962 1
1 362 . 16 1 1 A 38 38 GLU N N 38 120.563 119.753 0.810 1
1 363 . 16 1 1 A 39 39 LYS H H 39 8.395 8.720 -0.325 1
1 364 . 16 1 1 A 39 39 LYS HA H 39 4.604 4.960 -0.356 1
1 373 . 16 1 1 A 39 39 LYS C C 39 174.345 173.660 0.685 1
1 374 . 16 1 1 A 39 39 LYS CA C 39 54.144 53.822 0.322 1
1 375 . 16 1 1 A 39 39 LYS CB C 39 32.504 35.893 -3.389 1
1 379 . 16 1 1 A 39 39 LYS N N 39 123.827 121.689 2.138 1
1 380 . 16 1 1 A 40 40 PRO HA H 40 4.456 4.741 -0.285 1
1 387 . 16 1 1 A 40 40 PRO CA C 40 63.186 62.338 0.848 1
1 388 . 16 1 1 A 40 40 PRO CB C 40 32.177 29.739 2.438 1
1 391 . 16 1 1 A 41 41 SER H H 41 8.483 8.179 0.304 1
1 392 . 16 1 1 A 41 41 SER HA H 41 4.453 4.877 -0.424 1
1 395 . 16 1 1 A 41 41 SER CA C 41 58.591 58.589 0.002 1
1 396 . 16 1 1 A 41 41 SER CB C 41 63.944 64.000 -0.056 1
1 397 . 16 1 1 A 41 41 SER N N 41 116.550 115.129 1.421 1
1 398 . 16 1 1 A 42 42 GLY H H 42 8.230 8.441 -0.211 1
1 399 . 16 1 1 A 42 42 GLY HA2 H 42 4.159 4.161 -0.002 1
1 400 . 16 1 1 A 42 42 GLY HA3 H 42 4.111 4.162 -0.051 1
1 401 . 16 1 1 A 42 42 GLY CA C 42 44.656 44.846 -0.190 1
1 402 . 16 1 1 A 42 42 GLY N N 42 110.653 108.639 2.014 1
1 403 . 16 1 1 A 43 43 PRO HA H 43 4.466 4.559 -0.093 1
1 410 . 16 1 1 A 43 43 PRO CA C 43 63.318 62.602 0.716 1
1 411 . 16 1 1 A 43 43 PRO CB C 43 32.206 32.295 -0.089 1
1 414 . 16 1 1 A 44 44 SER H H 44 8.485 8.445 0.040 1
1 1 . 17 1 1 A 9 9 GLY H H 9 8.233 7.609 0.624 1
1 2 . 17 1 1 A 9 9 GLY HA2 H 9 4.025 4.114 -0.089 1
1 3 . 17 1 1 A 9 9 GLY HA3 H 9 3.948 4.116 -0.168 1
1 4 . 17 1 1 A 9 9 GLY C C 9 174.022 171.428 2.594 1
1 5 . 17 1 1 A 9 9 GLY CA C 9 45.367 46.159 -0.792 1
1 6 . 17 1 1 A 9 9 GLY N N 9 110.543 108.750 1.793 1
1 7 . 17 1 1 A 10 10 GLU H H 10 8.175 8.497 -0.322 1
1 8 . 17 1 1 A 10 10 GLU HA H 10 4.187 5.097 -0.910 1
1 13 . 17 1 1 A 10 10 GLU C C 10 176.220 174.584 1.636 1
1 14 . 17 1 1 A 10 10 GLU CA C 10 56.730 54.804 1.926 1
1 15 . 17 1 1 A 10 10 GLU CB C 10 30.395 33.649 -3.254 1
1 17 . 17 1 1 A 10 10 GLU N N 10 120.194 120.234 -0.040 1
1 18 . 17 1 1 A 11 11 LYS H H 11 8.391 8.492 -0.101 1
1 19 . 17 1 1 A 11 11 LYS HA H 11 4.528 5.032 -0.504 1
1 28 . 17 1 1 A 11 11 LYS C C 11 174.468 175.828 -1.360 1
1 29 . 17 1 1 A 11 11 LYS CA C 11 54.112 52.732 1.380 1
1 30 . 17 1 1 A 11 11 LYS CB C 11 33.635 35.341 -1.706 1
1 34 . 17 1 1 A 11 11 LYS N N 11 121.933 125.397 -3.464 1
1 35 . 17 1 1 A 12 12 PRO HA H 12 4.229 4.411 -0.182 1
1 42 . 17 1 1 A 12 12 PRO C C 12 176.420 176.088 0.332 1
1 43 . 17 1 1 A 12 12 PRO CA C 12 63.948 64.331 -0.383 1
1 44 . 17 1 1 A 12 12 PRO CB C 12 32.366 31.652 0.714 1
1 47 . 17 1 1 A 13 13 PHE H H 13 7.694 7.273 0.421 1
1 48 . 17 1 1 A 13 13 PHE HA H 13 4.700 5.042 -0.342 1
1 56 . 17 1 1 A 13 13 PHE C C 13 174.071 174.491 -0.420 1
1 57 . 17 1 1 A 13 13 PHE CA C 13 57.784 57.191 0.593 1
1 58 . 17 1 1 A 13 13 PHE CB C 13 39.605 41.563 -1.958 1
1 64 . 17 1 1 A 13 13 PHE N N 13 117.427 118.383 -0.956 1
1 65 . 17 1 1 A 14 14 LYS H H 14 8.784 8.835 -0.051 1
1 66 . 17 1 1 A 14 14 LYS HA H 14 4.976 5.312 -0.336 1
1 75 . 17 1 1 A 14 14 LYS C C 14 174.467 175.121 -0.654 1
1 76 . 17 1 1 A 14 14 LYS CA C 14 54.862 54.979 -0.117 1
1 77 . 17 1 1 A 14 14 LYS CB C 14 36.253 36.380 -0.127 1
1 81 . 17 1 1 A 14 14 LYS N N 14 125.268 121.999 3.269 1
1 82 . 17 1 1 A 15 15 CYS H H 15 9.301 9.243 0.058 1
1 83 . 17 1 1 A 15 15 CYS HA H 15 4.615 4.648 -0.033 1
1 86 . 17 1 1 A 15 15 CYS C C 15 177.056 176.095 0.961 1
1 87 . 17 1 1 A 15 15 CYS CA C 15 59.312 59.373 -0.061 1
1 88 . 17 1 1 A 15 15 CYS CB C 15 29.488 28.470 1.018 1
1 89 . 17 1 1 A 15 15 CYS N N 15 128.099 125.324 2.775 1
1 90 . 17 1 1 A 16 16 GLU H H 16 9.566 8.975 0.591 1
1 91 . 17 1 1 A 16 16 GLU HA H 16 4.132 4.142 -0.010 1
1 96 . 17 1 1 A 16 16 GLU C C 16 177.004 178.583 -1.579 1
1 97 . 17 1 1 A 16 16 GLU CA C 16 58.483 59.359 -0.876 1
1 98 . 17 1 1 A 16 16 GLU CB C 16 29.405 29.366 0.039 1
1 100 . 17 1 1 A 16 16 GLU N N 16 132.079 127.915 4.164 1
1 101 . 17 1 1 A 17 17 GLU H H 17 8.515 8.359 0.156 1
1 102 . 17 1 1 A 17 17 GLU HA H 17 4.166 3.898 0.268 1
1 107 . 17 1 1 A 17 17 GLU C C 17 177.263 178.259 -0.996 1
1 108 . 17 1 1 A 17 17 GLU CA C 17 58.536 58.563 -0.027 1
1 109 . 17 1 1 A 17 17 GLU CB C 17 29.369 28.346 1.023 1
1 111 . 17 1 1 A 17 17 GLU N N 17 119.982 120.542 -0.560 1
1 112 . 17 1 1 A 18 18 CYS H H 18 7.938 7.924 0.014 1
1 113 . 17 1 1 A 18 18 CYS HA H 18 5.196 4.742 0.454 1
1 116 . 17 1 1 A 18 18 CYS C C 18 176.278 175.697 0.581 1
1 117 . 17 1 1 A 18 18 CYS CA C 18 58.263 59.389 -1.126 1
1 118 . 17 1 1 A 18 18 CYS CB C 18 32.587 30.218 2.369 1
1 119 . 17 1 1 A 18 18 CYS N N 18 114.272 114.751 -0.479 1
1 120 . 17 1 1 A 19 19 GLY H H 19 8.314 8.187 0.127 1
1 121 . 17 1 1 A 19 19 GLY HA2 H 19 4.268 4.088 0.180 1
1 122 . 17 1 1 A 19 19 GLY HA3 H 19 3.673 4.098 -0.425 1
1 123 . 17 1 1 A 19 19 GLY C C 19 173.616 174.817 -1.201 1
1 124 . 17 1 1 A 19 19 GLY CA C 19 46.257 45.006 1.251 1
1 125 . 17 1 1 A 19 19 GLY N N 19 114.021 110.077 3.944 1
1 126 . 17 1 1 A 20 20 LYS H H 20 7.978 7.319 0.659 1
1 127 . 17 1 1 A 20 20 LYS HA H 20 3.931 4.261 -0.330 1
1 136 . 17 1 1 A 20 20 LYS C C 20 174.188 175.159 -0.971 1
1 137 . 17 1 1 A 20 20 LYS CA C 20 58.366 56.311 2.055 1
1 138 . 17 1 1 A 20 20 LYS CB C 20 33.708 34.130 -0.422 1
1 142 . 17 1 1 A 20 20 LYS N N 20 122.893 120.358 2.535 1
1 143 . 17 1 1 A 21 21 ARG H H 21 7.701 8.011 -0.310 1
1 144 . 17 1 1 A 21 21 ARG HA H 21 5.225 5.387 -0.162 1
1 151 . 17 1 1 A 21 21 ARG C C 21 175.407 174.443 0.964 1
1 152 . 17 1 1 A 21 21 ARG CA C 21 54.329 54.281 0.048 1
1 153 . 17 1 1 A 21 21 ARG CB C 21 33.812 34.648 -0.836 1
1 156 . 17 1 1 A 21 21 ARG N N 21 118.953 118.652 0.301 1
1 157 . 17 1 1 A 22 22 PHE H H 22 8.809 8.993 -0.184 1
1 158 . 17 1 1 A 22 22 PHE HA H 22 4.843 4.892 -0.049 1
1 166 . 17 1 1 A 22 22 PHE C C 22 175.443 175.532 -0.089 1
1 167 . 17 1 1 A 22 22 PHE CA C 22 57.033 56.787 0.246 1
1 168 . 17 1 1 A 22 22 PHE CB C 22 43.947 43.037 0.910 1
1 174 . 17 1 1 A 22 22 PHE N N 22 116.286 119.822 -3.536 1
1 175 . 17 1 1 A 23 23 THR H H 23 8.980 8.727 0.253 1
1 176 . 17 1 1 A 23 23 THR HA H 23 4.463 4.481 -0.018 1
1 181 . 17 1 1 A 23 23 THR C C 23 174.420 174.121 0.299 1
1 182 . 17 1 1 A 23 23 THR CA C 23 64.989 63.598 1.391 1
1 183 . 17 1 1 A 23 23 THR CB C 23 69.648 69.916 -0.268 1
1 185 . 17 1 1 A 23 23 THR N N 23 114.709 117.035 -2.326 1
1 186 . 17 1 1 A 24 24 GLN H H 24 7.526 7.612 -0.086 1
1 187 . 17 1 1 A 24 24 GLN HA H 24 4.809 4.284 0.525 1
1 194 . 17 1 1 A 24 24 GLN C C 24 176.247 175.191 1.056 1
1 195 . 17 1 1 A 24 24 GLN CA C 24 53.833 54.090 -0.257 1
1 196 . 17 1 1 A 24 24 GLN CB C 24 32.628 32.110 0.518 1
1 198 . 17 1 1 A 24 24 GLN N N 24 115.299 118.566 -3.267 1
1 200 . 17 1 1 A 25 25 ASN HA H 25 3.359 3.617 -0.258 1
1 205 . 17 1 1 A 25 25 ASN CA C 25 55.668 55.479 0.189 1
1 206 . 17 1 1 A 25 25 ASN CB C 25 37.930 37.226 0.704 1
1 207 . 17 1 1 A 25 25 ASN N N 25 119.000 119.729 -0.729 1
1 209 . 17 1 1 A 26 26 SER HA H 26 4.003 4.069 -0.066 1
1 212 . 17 1 1 A 26 26 SER C C 26 177.207 176.319 0.888 1
1 213 . 17 1 1 A 26 26 SER CA C 26 60.851 61.709 -0.858 1
1 214 . 17 1 1 A 26 26 SER CB C 26 61.368 63.024 -1.656 1
1 215 . 17 1 1 A 26 26 SER N N 26 118.833 115.335 3.498 1
1 216 . 17 1 1 A 27 27 GLN H H 27 6.685 7.594 -0.909 1
1 217 . 17 1 1 A 27 27 GLN HA H 27 4.060 3.880 0.180 1
1 224 . 17 1 1 A 27 27 GLN C C 27 178.447 177.635 0.812 1
1 225 . 17 1 1 A 27 27 GLN CA C 27 57.550 58.658 -1.108 1
1 226 . 17 1 1 A 27 27 GLN CB C 27 28.617 28.339 0.278 1
1 228 . 17 1 1 A 27 27 GLN N N 27 121.169 121.121 0.048 1
1 230 . 17 1 1 A 28 28 LEU H H 28 6.836 7.193 -0.357 1
1 231 . 17 1 1 A 28 28 LEU HA H 28 3.150 2.359 0.791 1
1 241 . 17 1 1 A 28 28 LEU C C 28 177.696 178.152 -0.456 1
1 242 . 17 1 1 A 28 28 LEU CA C 28 57.849 57.422 0.427 1
1 243 . 17 1 1 A 28 28 LEU CB C 28 40.265 41.484 -1.219 1
1 247 . 17 1 1 A 28 28 LEU N N 28 121.952 121.025 0.927 1
1 248 . 17 1 1 A 29 29 HIS H H 29 8.184 8.528 -0.344 1
1 249 . 17 1 1 A 29 29 HIS HA H 29 4.354 4.329 0.025 1
1 254 . 17 1 1 A 29 29 HIS C C 29 178.575 177.486 1.089 1
1 255 . 17 1 1 A 29 29 HIS CA C 29 59.335 59.400 -0.065 1
1 256 . 17 1 1 A 29 29 HIS CB C 29 30.003 29.487 0.516 1
1 259 . 17 1 1 A 29 29 HIS N N 29 118.076 117.504 0.572 1
1 260 . 17 1 1 A 30 30 SER H H 30 7.774 7.597 0.177 1
1 261 . 17 1 1 A 30 30 SER HA H 30 4.114 4.122 -0.008 1
1 264 . 17 1 1 A 30 30 SER C C 30 176.995 176.804 0.191 1
1 265 . 17 1 1 A 30 30 SER CA C 30 61.403 60.979 0.424 1
1 266 . 17 1 1 A 30 30 SER CB C 30 62.700 62.857 -0.157 1
1 267 . 17 1 1 A 30 30 SER N N 30 113.416 115.027 -1.611 1
1 268 . 17 1 1 A 31 31 HIS H H 31 7.674 7.522 0.152 1
1 269 . 17 1 1 A 31 31 HIS HA H 31 4.244 4.282 -0.038 1
1 274 . 17 1 1 A 31 31 HIS C C 31 175.921 177.403 -1.482 1
1 275 . 17 1 1 A 31 31 HIS CA C 31 58.808 59.452 -0.644 1
1 276 . 17 1 1 A 31 31 HIS CB C 31 28.456 29.977 -1.521 1
1 279 . 17 1 1 A 31 31 HIS N N 31 121.035 120.521 0.514 1
1 280 . 17 1 1 A 32 32 GLN H H 32 8.120 8.561 -0.441 1
1 281 . 17 1 1 A 32 32 GLN HA H 32 3.662 4.249 -0.587 1
1 288 . 17 1 1 A 32 32 GLN C C 32 177.273 178.614 -1.341 1
1 289 . 17 1 1 A 32 32 GLN CA C 32 59.264 58.949 0.315 1
1 290 . 17 1 1 A 32 32 GLN CB C 32 28.135 28.407 -0.272 1
1 292 . 17 1 1 A 32 32 GLN N N 32 115.343 118.698 -3.355 1
1 294 . 17 1 1 A 33 33 ARG H H 33 7.065 7.986 -0.921 1
1 295 . 17 1 1 A 33 33 ARG HA H 33 4.124 4.178 -0.054 1
1 302 . 17 1 1 A 33 33 ARG C C 33 178.476 179.026 -0.550 1
1 303 . 17 1 1 A 33 33 ARG CA C 33 58.372 58.922 -0.550 1
1 304 . 17 1 1 A 33 33 ARG CB C 33 29.919 29.743 0.176 1
1 307 . 17 1 1 A 33 33 ARG N N 33 117.435 120.408 -2.973 1
1 308 . 17 1 1 A 34 34 VAL H H 34 7.882 7.894 -0.012 1
1 309 . 17 1 1 A 34 34 VAL HA H 34 3.899 3.672 0.227 1
1 317 . 17 1 1 A 34 34 VAL C C 34 177.238 177.639 -0.401 1
1 318 . 17 1 1 A 34 34 VAL CA C 34 63.969 65.275 -1.306 1
1 319 . 17 1 1 A 34 34 VAL CB C 34 31.000 31.154 -0.154 1
1 322 . 17 1 1 A 34 34 VAL N N 34 116.190 116.515 -0.325 1
1 323 . 17 1 1 A 35 35 HIS H H 35 7.203 7.676 -0.473 1
1 324 . 17 1 1 A 35 35 HIS HA H 35 4.877 4.420 0.457 1
1 329 . 17 1 1 A 35 35 HIS C C 35 175.781 176.112 -0.331 1
1 330 . 17 1 1 A 35 35 HIS CA C 35 55.155 59.197 -4.042 1
1 331 . 17 1 1 A 35 35 HIS CB C 35 28.648 30.813 -2.165 1
1 334 . 17 1 1 A 35 35 HIS N N 35 117.199 120.342 -3.143 1
1 335 . 17 1 1 A 36 36 THR H H 36 7.779 7.655 0.124 1
1 336 . 17 1 1 A 36 36 THR HA H 36 4.353 4.391 -0.038 1
1 341 . 17 1 1 A 36 36 THR C C 36 175.511 174.642 0.869 1
1 342 . 17 1 1 A 36 36 THR CA C 36 62.495 61.044 1.451 1
1 343 . 17 1 1 A 36 36 THR CB C 36 69.840 68.680 1.160 1
1 345 . 17 1 1 A 36 36 THR N N 36 111.736 108.375 3.361 1
1 346 . 17 1 1 A 37 37 GLY H H 37 8.231 7.548 0.683 1
1 347 . 17 1 1 A 37 37 GLY HA2 H 37 4.026 4.050 -0.024 1
1 348 . 17 1 1 A 37 37 GLY HA3 H 37 3.951 4.061 -0.110 1
1 349 . 17 1 1 A 37 37 GLY C C 37 174.029 173.567 0.462 1
1 350 . 17 1 1 A 37 37 GLY CA C 37 45.277 46.098 -0.821 1
1 351 . 17 1 1 A 37 37 GLY N N 37 110.634 110.229 0.405 1
1 352 . 17 1 1 A 38 38 GLU H H 38 8.089 8.077 0.012 1
1 353 . 17 1 1 A 38 38 GLU HA H 38 4.246 4.613 -0.367 1
1 358 . 17 1 1 A 38 38 GLU C C 38 176.458 175.515 0.943 1
1 359 . 17 1 1 A 38 38 GLU CA C 38 56.489 55.861 0.628 1
1 360 . 17 1 1 A 38 38 GLU CB C 38 30.515 31.187 -0.672 1
1 362 . 17 1 1 A 38 38 GLU N N 38 120.563 119.346 1.217 1
1 363 . 17 1 1 A 39 39 LYS H H 39 8.395 8.413 -0.018 1
1 364 . 17 1 1 A 39 39 LYS HA H 39 4.604 4.783 -0.179 1
1 373 . 17 1 1 A 39 39 LYS C C 39 174.345 173.845 0.500 1
1 374 . 17 1 1 A 39 39 LYS CA C 39 54.144 52.836 1.308 1
1 375 . 17 1 1 A 39 39 LYS CB C 39 32.504 34.183 -1.679 1
1 379 . 17 1 1 A 39 39 LYS N N 39 123.827 119.620 4.207 1
1 380 . 17 1 1 A 40 40 PRO HA H 40 4.456 4.612 -0.156 1
1 387 . 17 1 1 A 40 40 PRO CA C 40 63.186 62.669 0.517 1
1 388 . 17 1 1 A 40 40 PRO CB C 40 32.177 32.743 -0.566 1
1 391 . 17 1 1 A 41 41 SER H H 41 8.483 8.741 -0.258 1
1 392 . 17 1 1 A 41 41 SER HA H 41 4.453 4.181 0.272 1
1 395 . 17 1 1 A 41 41 SER CA C 41 58.591 62.170 -3.579 1
1 396 . 17 1 1 A 41 41 SER CB C 41 63.944 63.057 0.887 1
1 397 . 17 1 1 A 41 41 SER N N 41 116.550 116.184 0.366 1
1 398 . 17 1 1 A 42 42 GLY H H 42 8.230 7.901 0.329 1
1 399 . 17 1 1 A 42 42 GLY HA2 H 42 4.159 4.143 0.016 1
1 400 . 17 1 1 A 42 42 GLY HA3 H 42 4.111 4.144 -0.033 1
1 401 . 17 1 1 A 42 42 GLY CA C 42 44.656 44.024 0.632 1
1 402 . 17 1 1 A 42 42 GLY N N 42 110.653 106.062 4.591 1
1 403 . 17 1 1 A 43 43 PRO HA H 43 4.466 4.676 -0.210 1
1 410 . 17 1 1 A 43 43 PRO CA C 43 63.318 62.172 1.146 1
1 411 . 17 1 1 A 43 43 PRO CB C 43 32.206 29.431 2.775 1
1 414 . 17 1 1 A 44 44 SER H H 44 8.485 8.609 -0.124 1
1 1 . 18 1 1 A 9 9 GLY H H 9 8.233 8.469 -0.236 1
1 2 . 18 1 1 A 9 9 GLY HA2 H 9 4.025 4.147 -0.122 1
1 3 . 18 1 1 A 9 9 GLY HA3 H 9 3.948 4.149 -0.201 1
1 4 . 18 1 1 A 9 9 GLY C C 9 174.022 171.733 2.289 1
1 5 . 18 1 1 A 9 9 GLY CA C 9 45.367 45.588 -0.221 1
1 6 . 18 1 1 A 9 9 GLY N N 9 110.543 112.848 -2.305 1
1 7 . 18 1 1 A 10 10 GLU H H 10 8.175 8.360 -0.185 1
1 8 . 18 1 1 A 10 10 GLU HA H 10 4.187 4.797 -0.610 1
1 13 . 18 1 1 A 10 10 GLU C C 10 176.220 175.907 0.313 1
1 14 . 18 1 1 A 10 10 GLU CA C 10 56.730 55.930 0.800 1
1 15 . 18 1 1 A 10 10 GLU CB C 10 30.395 31.023 -0.628 1
1 17 . 18 1 1 A 10 10 GLU N N 10 120.194 120.419 -0.225 1
1 18 . 18 1 1 A 11 11 LYS H H 11 8.391 8.517 -0.126 1
1 19 . 18 1 1 A 11 11 LYS HA H 11 4.528 4.943 -0.415 1
1 28 . 18 1 1 A 11 11 LYS C C 11 174.468 175.645 -1.177 1
1 29 . 18 1 1 A 11 11 LYS CA C 11 54.112 52.472 1.640 1
1 30 . 18 1 1 A 11 11 LYS CB C 11 33.635 34.266 -0.631 1
1 34 . 18 1 1 A 11 11 LYS N N 11 121.933 125.600 -3.667 1
1 35 . 18 1 1 A 12 12 PRO HA H 12 4.229 4.428 -0.199 1
1 42 . 18 1 1 A 12 12 PRO C C 12 176.420 176.049 0.371 1
1 43 . 18 1 1 A 12 12 PRO CA C 12 63.948 64.231 -0.283 1
1 44 . 18 1 1 A 12 12 PRO CB C 12 32.366 31.549 0.817 1
1 47 . 18 1 1 A 13 13 PHE H H 13 7.694 7.202 0.492 1
1 48 . 18 1 1 A 13 13 PHE HA H 13 4.700 5.136 -0.436 1
1 56 . 18 1 1 A 13 13 PHE C C 13 174.071 174.415 -0.344 1
1 57 . 18 1 1 A 13 13 PHE CA C 13 57.784 57.100 0.684 1
1 58 . 18 1 1 A 13 13 PHE CB C 13 39.605 41.792 -2.187 1
1 64 . 18 1 1 A 13 13 PHE N N 13 117.427 118.471 -1.044 1
1 65 . 18 1 1 A 14 14 LYS H H 14 8.784 8.861 -0.077 1
1 66 . 18 1 1 A 14 14 LYS HA H 14 4.976 5.342 -0.366 1
1 75 . 18 1 1 A 14 14 LYS C C 14 174.467 174.868 -0.401 1
1 76 . 18 1 1 A 14 14 LYS CA C 14 54.862 55.160 -0.298 1
1 77 . 18 1 1 A 14 14 LYS CB C 14 36.253 36.407 -0.154 1
1 81 . 18 1 1 A 14 14 LYS N N 14 125.268 122.088 3.180 1
1 82 . 18 1 1 A 15 15 CYS H H 15 9.301 9.064 0.237 1
1 83 . 18 1 1 A 15 15 CYS HA H 15 4.615 4.588 0.027 1
1 86 . 18 1 1 A 15 15 CYS C C 15 177.056 175.566 1.490 1
1 87 . 18 1 1 A 15 15 CYS CA C 15 59.312 59.001 0.311 1
1 88 . 18 1 1 A 15 15 CYS CB C 15 29.488 27.590 1.898 1
1 89 . 18 1 1 A 15 15 CYS N N 15 128.099 125.371 2.728 1
1 90 . 18 1 1 A 16 16 GLU H H 16 9.566 8.323 1.243 1
1 91 . 18 1 1 A 16 16 GLU HA H 16 4.132 4.108 0.024 1
1 96 . 18 1 1 A 16 16 GLU C C 16 177.004 178.478 -1.474 1
1 97 . 18 1 1 A 16 16 GLU CA C 16 58.483 59.177 -0.694 1
1 98 . 18 1 1 A 16 16 GLU CB C 16 29.405 29.301 0.104 1
1 100 . 18 1 1 A 16 16 GLU N N 16 132.079 127.067 5.012 1
1 101 . 18 1 1 A 17 17 GLU H H 17 8.515 8.297 0.218 1
1 102 . 18 1 1 A 17 17 GLU HA H 17 4.166 3.882 0.284 1
1 107 . 18 1 1 A 17 17 GLU C C 17 177.263 178.329 -1.066 1
1 108 . 18 1 1 A 17 17 GLU CA C 17 58.536 58.512 0.024 1
1 109 . 18 1 1 A 17 17 GLU CB C 17 29.369 28.326 1.043 1
1 111 . 18 1 1 A 17 17 GLU N N 17 119.982 120.378 -0.396 1
1 112 . 18 1 1 A 18 18 CYS H H 18 7.938 7.527 0.411 1
1 113 . 18 1 1 A 18 18 CYS HA H 18 5.196 4.752 0.444 1
1 116 . 18 1 1 A 18 18 CYS C C 18 176.278 175.568 0.710 1
1 117 . 18 1 1 A 18 18 CYS CA C 18 58.263 59.450 -1.187 1
1 118 . 18 1 1 A 18 18 CYS CB C 18 32.587 30.092 2.495 1
1 119 . 18 1 1 A 18 18 CYS N N 18 114.272 114.621 -0.349 1
1 120 . 18 1 1 A 19 19 GLY H H 19 8.314 8.380 -0.066 1
1 121 . 18 1 1 A 19 19 GLY HA2 H 19 4.268 4.096 0.172 1
1 122 . 18 1 1 A 19 19 GLY HA3 H 19 3.673 4.103 -0.430 1
1 123 . 18 1 1 A 19 19 GLY C C 19 173.616 174.627 -1.011 1
1 124 . 18 1 1 A 19 19 GLY CA C 19 46.257 44.919 1.338 1
1 125 . 18 1 1 A 19 19 GLY N N 19 114.021 109.847 4.174 1
1 126 . 18 1 1 A 20 20 LYS H H 20 7.978 7.380 0.598 1
1 127 . 18 1 1 A 20 20 LYS HA H 20 3.931 4.293 -0.362 1
1 136 . 18 1 1 A 20 20 LYS C C 20 174.188 175.131 -0.943 1
1 137 . 18 1 1 A 20 20 LYS CA C 20 58.366 56.314 2.052 1
1 138 . 18 1 1 A 20 20 LYS CB C 20 33.708 34.255 -0.547 1
1 142 . 18 1 1 A 20 20 LYS N N 20 122.893 120.365 2.528 1
1 143 . 18 1 1 A 21 21 ARG H H 21 7.701 8.023 -0.322 1
1 144 . 18 1 1 A 21 21 ARG HA H 21 5.225 5.477 -0.252 1
1 151 . 18 1 1 A 21 21 ARG C C 21 175.407 174.520 0.887 1
1 152 . 18 1 1 A 21 21 ARG CA C 21 54.329 54.306 0.023 1
1 153 . 18 1 1 A 21 21 ARG CB C 21 33.812 34.767 -0.955 1
1 156 . 18 1 1 A 21 21 ARG N N 21 118.953 118.691 0.262 1
1 157 . 18 1 1 A 22 22 PHE H H 22 8.809 8.930 -0.121 1
1 158 . 18 1 1 A 22 22 PHE HA H 22 4.843 4.909 -0.066 1
1 166 . 18 1 1 A 22 22 PHE C C 22 175.443 175.582 -0.139 1
1 167 . 18 1 1 A 22 22 PHE CA C 22 57.033 56.956 0.077 1
1 168 . 18 1 1 A 22 22 PHE CB C 22 43.947 43.037 0.910 1
1 174 . 18 1 1 A 22 22 PHE N N 22 116.286 119.631 -3.345 1
1 175 . 18 1 1 A 23 23 THR H H 23 8.980 8.770 0.210 1
1 176 . 18 1 1 A 23 23 THR HA H 23 4.463 4.535 -0.072 1
1 181 . 18 1 1 A 23 23 THR C C 23 174.420 174.082 0.338 1
1 182 . 18 1 1 A 23 23 THR CA C 23 64.989 63.609 1.380 1
1 183 . 18 1 1 A 23 23 THR CB C 23 69.648 69.816 -0.168 1
1 185 . 18 1 1 A 23 23 THR N N 23 114.709 117.294 -2.585 1
1 186 . 18 1 1 A 24 24 GLN H H 24 7.526 7.660 -0.134 1
1 187 . 18 1 1 A 24 24 GLN HA H 24 4.809 4.454 0.355 1
1 194 . 18 1 1 A 24 24 GLN C C 24 176.247 175.418 0.829 1
1 195 . 18 1 1 A 24 24 GLN CA C 24 53.833 54.219 -0.386 1
1 196 . 18 1 1 A 24 24 GLN CB C 24 32.628 31.932 0.696 1
1 198 . 18 1 1 A 24 24 GLN N N 24 115.299 118.740 -3.441 1
1 200 . 18 1 1 A 25 25 ASN HA H 25 3.359 3.696 -0.337 1
1 205 . 18 1 1 A 25 25 ASN CA C 25 55.668 55.525 0.143 1
1 206 . 18 1 1 A 25 25 ASN CB C 25 37.930 36.942 0.988 1
1 207 . 18 1 1 A 25 25 ASN N N 25 119.000 120.785 -1.785 1
1 209 . 18 1 1 A 26 26 SER HA H 26 4.003 4.023 -0.020 1
1 212 . 18 1 1 A 26 26 SER C C 26 177.207 176.419 0.788 1
1 213 . 18 1 1 A 26 26 SER CA C 26 60.851 61.577 -0.726 1
1 214 . 18 1 1 A 26 26 SER CB C 26 61.368 63.254 -1.886 1
1 215 . 18 1 1 A 26 26 SER N N 26 118.833 115.365 3.468 1
1 216 . 18 1 1 A 27 27 GLN H H 27 6.685 7.067 -0.382 1
1 217 . 18 1 1 A 27 27 GLN HA H 27 4.060 4.007 0.053 1
1 224 . 18 1 1 A 27 27 GLN C C 27 178.447 177.689 0.758 1
1 225 . 18 1 1 A 27 27 GLN CA C 27 57.550 58.571 -1.021 1
1 226 . 18 1 1 A 27 27 GLN CB C 27 28.617 28.602 0.015 1
1 228 . 18 1 1 A 27 27 GLN N N 27 121.169 121.379 -0.210 1
1 230 . 18 1 1 A 28 28 LEU H H 28 6.836 7.386 -0.550 1
1 231 . 18 1 1 A 28 28 LEU HA H 28 3.150 2.463 0.687 1
1 241 . 18 1 1 A 28 28 LEU C C 28 177.696 178.086 -0.390 1
1 242 . 18 1 1 A 28 28 LEU CA C 28 57.849 57.509 0.340 1
1 243 . 18 1 1 A 28 28 LEU CB C 28 40.265 41.594 -1.329 1
1 247 . 18 1 1 A 28 28 LEU N N 28 121.952 121.170 0.782 1
1 248 . 18 1 1 A 29 29 HIS H H 29 8.184 8.919 -0.735 1
1 249 . 18 1 1 A 29 29 HIS HA H 29 4.354 4.294 0.060 1
1 254 . 18 1 1 A 29 29 HIS C C 29 178.575 177.833 0.742 1
1 255 . 18 1 1 A 29 29 HIS CA C 29 59.335 59.221 0.114 1
1 256 . 18 1 1 A 29 29 HIS CB C 29 30.003 29.656 0.347 1
1 259 . 18 1 1 A 29 29 HIS N N 29 118.076 117.200 0.876 1
1 260 . 18 1 1 A 30 30 SER H H 30 7.774 7.753 0.021 1
1 261 . 18 1 1 A 30 30 SER HA H 30 4.114 4.285 -0.171 1
1 264 . 18 1 1 A 30 30 SER C C 30 176.995 176.220 0.775 1
1 265 . 18 1 1 A 30 30 SER CA C 30 61.403 61.267 0.136 1
1 266 . 18 1 1 A 30 30 SER CB C 30 62.700 63.170 -0.470 1
1 267 . 18 1 1 A 30 30 SER N N 30 113.416 115.809 -2.393 1
1 268 . 18 1 1 A 31 31 HIS H H 31 7.674 7.682 -0.008 1
1 269 . 18 1 1 A 31 31 HIS HA H 31 4.244 4.233 0.011 1
1 274 . 18 1 1 A 31 31 HIS C C 31 175.921 177.281 -1.360 1
1 275 . 18 1 1 A 31 31 HIS CA C 31 58.808 59.374 -0.566 1
1 276 . 18 1 1 A 31 31 HIS CB C 31 28.456 29.994 -1.538 1
1 279 . 18 1 1 A 31 31 HIS N N 31 121.035 121.543 -0.508 1
1 280 . 18 1 1 A 32 32 GLN H H 32 8.120 8.535 -0.415 1
1 281 . 18 1 1 A 32 32 GLN HA H 32 3.662 4.189 -0.527 1
1 288 . 18 1 1 A 32 32 GLN C C 32 177.273 178.788 -1.515 1
1 289 . 18 1 1 A 32 32 GLN CA C 32 59.264 58.921 0.343 1
1 290 . 18 1 1 A 32 32 GLN CB C 32 28.135 28.206 -0.071 1
1 292 . 18 1 1 A 32 32 GLN N N 32 115.343 118.217 -2.874 1
1 294 . 18 1 1 A 33 33 ARG H H 33 7.065 7.863 -0.798 1
1 295 . 18 1 1 A 33 33 ARG HA H 33 4.124 4.141 -0.017 1
1 302 . 18 1 1 A 33 33 ARG C C 33 178.476 179.054 -0.578 1
1 303 . 18 1 1 A 33 33 ARG CA C 33 58.372 58.792 -0.420 1
1 304 . 18 1 1 A 33 33 ARG CB C 33 29.919 29.709 0.210 1
1 307 . 18 1 1 A 33 33 ARG N N 33 117.435 119.886 -2.451 1
1 308 . 18 1 1 A 34 34 VAL H H 34 7.882 7.977 -0.095 1
1 309 . 18 1 1 A 34 34 VAL HA H 34 3.899 3.701 0.198 1
1 317 . 18 1 1 A 34 34 VAL C C 34 177.238 177.618 -0.380 1
1 318 . 18 1 1 A 34 34 VAL CA C 34 63.969 65.382 -1.413 1
1 319 . 18 1 1 A 34 34 VAL CB C 34 31.000 31.278 -0.278 1
1 322 . 18 1 1 A 34 34 VAL N N 34 116.190 116.990 -0.800 1
1 323 . 18 1 1 A 35 35 HIS H H 35 7.203 7.653 -0.450 1
1 324 . 18 1 1 A 35 35 HIS HA H 35 4.877 4.438 0.439 1
1 329 . 18 1 1 A 35 35 HIS C C 35 175.781 176.110 -0.329 1
1 330 . 18 1 1 A 35 35 HIS CA C 35 55.155 58.967 -3.812 1
1 331 . 18 1 1 A 35 35 HIS CB C 35 28.648 30.126 -1.478 1
1 334 . 18 1 1 A 35 35 HIS N N 35 117.199 120.048 -2.849 1
1 335 . 18 1 1 A 36 36 THR H H 36 7.779 7.597 0.182 1
1 336 . 18 1 1 A 36 36 THR HA H 36 4.353 4.351 0.002 1
1 341 . 18 1 1 A 36 36 THR C C 36 175.511 174.517 0.994 1
1 342 . 18 1 1 A 36 36 THR CA C 36 62.495 61.136 1.359 1
1 343 . 18 1 1 A 36 36 THR CB C 36 69.840 68.707 1.133 1
1 345 . 18 1 1 A 36 36 THR N N 36 111.736 107.560 4.176 1
1 346 . 18 1 1 A 37 37 GLY H H 37 8.231 7.948 0.283 1
1 347 . 18 1 1 A 37 37 GLY HA2 H 37 4.026 4.054 -0.028 1
1 348 . 18 1 1 A 37 37 GLY HA3 H 37 3.951 4.064 -0.113 1
1 349 . 18 1 1 A 37 37 GLY C C 37 174.029 172.485 1.544 1
1 350 . 18 1 1 A 37 37 GLY CA C 37 45.277 44.609 0.668 1
1 351 . 18 1 1 A 37 37 GLY N N 37 110.634 111.108 -0.474 1
1 352 . 18 1 1 A 38 38 GLU H H 38 8.089 8.814 -0.725 1
1 353 . 18 1 1 A 38 38 GLU HA H 38 4.246 5.032 -0.786 1
1 358 . 18 1 1 A 38 38 GLU C C 38 176.458 174.774 1.684 1
1 359 . 18 1 1 A 38 38 GLU CA C 38 56.489 55.546 0.943 1
1 360 . 18 1 1 A 38 38 GLU CB C 38 30.515 32.304 -1.789 1
1 362 . 18 1 1 A 38 38 GLU N N 38 120.563 122.967 -2.404 1
1 363 . 18 1 1 A 39 39 LYS H H 39 8.395 8.821 -0.426 1
1 364 . 18 1 1 A 39 39 LYS HA H 39 4.604 4.952 -0.348 1
1 373 . 18 1 1 A 39 39 LYS C C 39 174.345 173.627 0.718 1
1 374 . 18 1 1 A 39 39 LYS CA C 39 54.144 53.842 0.302 1
1 375 . 18 1 1 A 39 39 LYS CB C 39 32.504 35.877 -3.373 1
1 379 . 18 1 1 A 39 39 LYS N N 39 123.827 124.277 -0.450 1
1 380 . 18 1 1 A 40 40 PRO HA H 40 4.456 4.466 -0.010 1
1 387 . 18 1 1 A 40 40 PRO CA C 40 63.186 62.839 0.347 1
1 388 . 18 1 1 A 40 40 PRO CB C 40 32.177 32.229 -0.052 1
1 391 . 18 1 1 A 41 41 SER H H 41 8.483 8.349 0.134 1
1 392 . 18 1 1 A 41 41 SER HA H 41 4.453 4.563 -0.110 1
1 395 . 18 1 1 A 41 41 SER CA C 41 58.591 57.570 1.021 1
1 396 . 18 1 1 A 41 41 SER CB C 41 63.944 64.398 -0.454 1
1 397 . 18 1 1 A 41 41 SER N N 41 116.550 115.442 1.108 1
1 398 . 18 1 1 A 42 42 GLY H H 42 8.230 8.265 -0.035 1
1 399 . 18 1 1 A 42 42 GLY HA2 H 42 4.159 4.201 -0.042 1
1 400 . 18 1 1 A 42 42 GLY HA3 H 42 4.111 4.204 -0.093 1
1 401 . 18 1 1 A 42 42 GLY CA C 42 44.656 46.138 -1.482 1
1 402 . 18 1 1 A 42 42 GLY N N 42 110.653 108.290 2.363 1
1 403 . 18 1 1 A 43 43 PRO HA H 43 4.466 4.615 -0.149 1
1 410 . 18 1 1 A 43 43 PRO CA C 43 63.318 62.556 0.762 1
1 411 . 18 1 1 A 43 43 PRO CB C 43 32.206 32.845 -0.639 1
1 414 . 18 1 1 A 44 44 SER H H 44 8.485 8.539 -0.054 1
1 1 . 19 1 1 A 9 9 GLY H H 9 8.233 8.636 -0.403 1
1 2 . 19 1 1 A 9 9 GLY HA2 H 9 4.025 4.145 -0.120 1
1 3 . 19 1 1 A 9 9 GLY HA3 H 9 3.948 4.151 -0.203 1
1 4 . 19 1 1 A 9 9 GLY C C 9 174.022 172.597 1.425 1
1 5 . 19 1 1 A 9 9 GLY CA C 9 45.367 44.096 1.271 1
1 6 . 19 1 1 A 9 9 GLY N N 9 110.543 112.507 -1.964 1
1 7 . 19 1 1 A 10 10 GLU H H 10 8.175 8.566 -0.391 1
1 8 . 19 1 1 A 10 10 GLU HA H 10 4.187 5.067 -0.880 1
1 13 . 19 1 1 A 10 10 GLU C C 10 176.220 175.028 1.192 1
1 14 . 19 1 1 A 10 10 GLU CA C 10 56.730 54.774 1.956 1
1 15 . 19 1 1 A 10 10 GLU CB C 10 30.395 32.858 -2.463 1
1 17 . 19 1 1 A 10 10 GLU N N 10 120.194 116.959 3.235 1
1 18 . 19 1 1 A 11 11 LYS H H 11 8.391 8.650 -0.259 1
1 19 . 19 1 1 A 11 11 LYS HA H 11 4.528 4.987 -0.459 1
1 28 . 19 1 1 A 11 11 LYS C C 11 174.468 175.819 -1.351 1
1 29 . 19 1 1 A 11 11 LYS CA C 11 54.112 52.729 1.383 1
1 30 . 19 1 1 A 11 11 LYS CB C 11 33.635 35.180 -1.545 1
1 34 . 19 1 1 A 11 11 LYS N N 11 121.933 123.112 -1.179 1
1 35 . 19 1 1 A 12 12 PRO HA H 12 4.229 4.402 -0.173 1
1 42 . 19 1 1 A 12 12 PRO C C 12 176.420 176.090 0.330 1
1 43 . 19 1 1 A 12 12 PRO CA C 12 63.948 64.311 -0.363 1
1 44 . 19 1 1 A 12 12 PRO CB C 12 32.366 31.710 0.656 1
1 47 . 19 1 1 A 13 13 PHE H H 13 7.694 7.308 0.386 1
1 48 . 19 1 1 A 13 13 PHE HA H 13 4.700 5.115 -0.415 1
1 56 . 19 1 1 A 13 13 PHE C C 13 174.071 174.407 -0.336 1
1 57 . 19 1 1 A 13 13 PHE CA C 13 57.784 57.096 0.688 1
1 58 . 19 1 1 A 13 13 PHE CB C 13 39.605 41.726 -2.121 1
1 64 . 19 1 1 A 13 13 PHE N N 13 117.427 118.448 -1.021 1
1 65 . 19 1 1 A 14 14 LYS H H 14 8.784 8.866 -0.082 1
1 66 . 19 1 1 A 14 14 LYS HA H 14 4.976 5.246 -0.270 1
1 75 . 19 1 1 A 14 14 LYS C C 14 174.467 175.114 -0.647 1
1 76 . 19 1 1 A 14 14 LYS CA C 14 54.862 55.122 -0.260 1
1 77 . 19 1 1 A 14 14 LYS CB C 14 36.253 36.396 -0.143 1
1 81 . 19 1 1 A 14 14 LYS N N 14 125.268 122.073 3.195 1
1 82 . 19 1 1 A 15 15 CYS H H 15 9.301 9.100 0.201 1
1 83 . 19 1 1 A 15 15 CYS HA H 15 4.615 4.626 -0.011 1
1 86 . 19 1 1 A 15 15 CYS C C 15 177.056 175.992 1.064 1
1 87 . 19 1 1 A 15 15 CYS CA C 15 59.312 59.245 0.067 1
1 88 . 19 1 1 A 15 15 CYS CB C 15 29.488 28.413 1.075 1
1 89 . 19 1 1 A 15 15 CYS N N 15 128.099 125.317 2.782 1
1 90 . 19 1 1 A 16 16 GLU H H 16 9.566 8.963 0.603 1
1 91 . 19 1 1 A 16 16 GLU HA H 16 4.132 4.114 0.018 1
1 96 . 19 1 1 A 16 16 GLU C C 16 177.004 178.504 -1.500 1
1 97 . 19 1 1 A 16 16 GLU CA C 16 58.483 59.190 -0.707 1
1 98 . 19 1 1 A 16 16 GLU CB C 16 29.405 29.262 0.143 1
1 100 . 19 1 1 A 16 16 GLU N N 16 132.079 127.996 4.083 1
1 101 . 19 1 1 A 17 17 GLU H H 17 8.515 8.214 0.301 1
1 102 . 19 1 1 A 17 17 GLU HA H 17 4.166 3.879 0.287 1
1 107 . 19 1 1 A 17 17 GLU C C 17 177.263 178.234 -0.971 1
1 108 . 19 1 1 A 17 17 GLU CA C 17 58.536 58.497 0.039 1
1 109 . 19 1 1 A 17 17 GLU CB C 17 29.369 28.281 1.088 1
1 111 . 19 1 1 A 17 17 GLU N N 17 119.982 120.573 -0.591 1
1 112 . 19 1 1 A 18 18 CYS H H 18 7.938 7.888 0.050 1
1 113 . 19 1 1 A 18 18 CYS HA H 18 5.196 4.744 0.452 1
1 116 . 19 1 1 A 18 18 CYS C C 18 176.278 175.669 0.609 1
1 117 . 19 1 1 A 18 18 CYS CA C 18 58.263 59.310 -1.047 1
1 118 . 19 1 1 A 18 18 CYS CB C 18 32.587 30.355 2.232 1
1 119 . 19 1 1 A 18 18 CYS N N 18 114.272 114.911 -0.639 1
1 120 . 19 1 1 A 19 19 GLY H H 19 8.314 8.364 -0.050 1
1 121 . 19 1 1 A 19 19 GLY HA2 H 19 4.268 4.066 0.202 1
1 122 . 19 1 1 A 19 19 GLY HA3 H 19 3.673 4.074 -0.401 1
1 123 . 19 1 1 A 19 19 GLY C C 19 173.616 174.819 -1.203 1
1 124 . 19 1 1 A 19 19 GLY CA C 19 46.257 45.030 1.227 1
1 125 . 19 1 1 A 19 19 GLY N N 19 114.021 110.082 3.939 1
1 126 . 19 1 1 A 20 20 LYS H H 20 7.978 7.363 0.615 1
1 127 . 19 1 1 A 20 20 LYS HA H 20 3.931 4.260 -0.329 1
1 136 . 19 1 1 A 20 20 LYS C C 20 174.188 175.059 -0.871 1
1 137 . 19 1 1 A 20 20 LYS CA C 20 58.366 56.294 2.072 1
1 138 . 19 1 1 A 20 20 LYS CB C 20 33.708 34.199 -0.491 1
1 142 . 19 1 1 A 20 20 LYS N N 20 122.893 120.362 2.531 1
1 143 . 19 1 1 A 21 21 ARG H H 21 7.701 7.987 -0.286 1
1 144 . 19 1 1 A 21 21 ARG HA H 21 5.225 5.354 -0.129 1
1 151 . 19 1 1 A 21 21 ARG C C 21 175.407 174.460 0.947 1
1 152 . 19 1 1 A 21 21 ARG CA C 21 54.329 54.151 0.178 1
1 153 . 19 1 1 A 21 21 ARG CB C 21 33.812 34.681 -0.869 1
1 156 . 19 1 1 A 21 21 ARG N N 21 118.953 118.633 0.320 1
1 157 . 19 1 1 A 22 22 PHE H H 22 8.809 8.961 -0.152 1
1 158 . 19 1 1 A 22 22 PHE HA H 22 4.843 4.934 -0.091 1
1 166 . 19 1 1 A 22 22 PHE C C 22 175.443 175.563 -0.120 1
1 167 . 19 1 1 A 22 22 PHE CA C 22 57.033 56.992 0.041 1
1 168 . 19 1 1 A 22 22 PHE CB C 22 43.947 42.986 0.961 1
1 174 . 19 1 1 A 22 22 PHE N N 22 116.286 119.555 -3.269 1
1 175 . 19 1 1 A 23 23 THR H H 23 8.980 8.766 0.214 1
1 176 . 19 1 1 A 23 23 THR HA H 23 4.463 4.476 -0.013 1
1 181 . 19 1 1 A 23 23 THR C C 23 174.420 174.149 0.271 1
1 182 . 19 1 1 A 23 23 THR CA C 23 64.989 63.644 1.345 1
1 183 . 19 1 1 A 23 23 THR CB C 23 69.648 69.965 -0.317 1
1 185 . 19 1 1 A 23 23 THR N N 23 114.709 117.100 -2.391 1
1 186 . 19 1 1 A 24 24 GLN H H 24 7.526 7.727 -0.201 1
1 187 . 19 1 1 A 24 24 GLN HA H 24 4.809 4.492 0.317 1
1 194 . 19 1 1 A 24 24 GLN C C 24 176.247 175.301 0.946 1
1 195 . 19 1 1 A 24 24 GLN CA C 24 53.833 54.220 -0.387 1
1 196 . 19 1 1 A 24 24 GLN CB C 24 32.628 32.161 0.467 1
1 198 . 19 1 1 A 24 24 GLN N N 24 115.299 118.382 -3.083 1
1 200 . 19 1 1 A 25 25 ASN HA H 25 3.359 3.762 -0.403 1
1 205 . 19 1 1 A 25 25 ASN CA C 25 55.668 55.582 0.086 1
1 206 . 19 1 1 A 25 25 ASN CB C 25 37.930 37.274 0.656 1
1 207 . 19 1 1 A 25 25 ASN N N 25 119.000 119.734 -0.734 1
1 209 . 19 1 1 A 26 26 SER HA H 26 4.003 4.012 -0.009 1
1 212 . 19 1 1 A 26 26 SER C C 26 177.207 176.304 0.903 1
1 213 . 19 1 1 A 26 26 SER CA C 26 60.851 61.706 -0.855 1
1 214 . 19 1 1 A 26 26 SER CB C 26 61.368 63.001 -1.633 1
1 215 . 19 1 1 A 26 26 SER N N 26 118.833 115.424 3.409 1
1 216 . 19 1 1 A 27 27 GLN H H 27 6.685 7.621 -0.936 1
1 217 . 19 1 1 A 27 27 GLN HA H 27 4.060 3.909 0.151 1
1 224 . 19 1 1 A 27 27 GLN C C 27 178.447 177.685 0.762 1
1 225 . 19 1 1 A 27 27 GLN CA C 27 57.550 58.701 -1.151 1
1 226 . 19 1 1 A 27 27 GLN CB C 27 28.617 28.458 0.159 1
1 228 . 19 1 1 A 27 27 GLN N N 27 121.169 121.158 0.011 1
1 230 . 19 1 1 A 28 28 LEU H H 28 6.836 7.313 -0.477 1
1 231 . 19 1 1 A 28 28 LEU HA H 28 3.150 2.397 0.753 1
1 241 . 19 1 1 A 28 28 LEU C C 28 177.696 178.166 -0.470 1
1 242 . 19 1 1 A 28 28 LEU CA C 28 57.849 57.491 0.358 1
1 243 . 19 1 1 A 28 28 LEU CB C 28 40.265 41.581 -1.316 1
1 247 . 19 1 1 A 28 28 LEU N N 28 121.952 121.095 0.857 1
1 248 . 19 1 1 A 29 29 HIS H H 29 8.184 8.834 -0.650 1
1 249 . 19 1 1 A 29 29 HIS HA H 29 4.354 4.346 0.008 1
1 254 . 19 1 1 A 29 29 HIS C C 29 178.575 177.087 1.488 1
1 255 . 19 1 1 A 29 29 HIS CA C 29 59.335 59.318 0.017 1
1 256 . 19 1 1 A 29 29 HIS CB C 29 30.003 29.482 0.521 1
1 259 . 19 1 1 A 29 29 HIS N N 29 118.076 117.146 0.930 1
1 260 . 19 1 1 A 30 30 SER H H 30 7.774 7.626 0.148 1
1 261 . 19 1 1 A 30 30 SER HA H 30 4.114 4.206 -0.092 1
1 264 . 19 1 1 A 30 30 SER C C 30 176.995 176.879 0.116 1
1 265 . 19 1 1 A 30 30 SER CA C 30 61.403 60.562 0.841 1
1 266 . 19 1 1 A 30 30 SER CB C 30 62.700 62.872 -0.172 1
1 267 . 19 1 1 A 30 30 SER N N 30 113.416 115.148 -1.732 1
1 268 . 19 1 1 A 31 31 HIS H H 31 7.674 7.793 -0.119 1
1 269 . 19 1 1 A 31 31 HIS HA H 31 4.244 4.218 0.026 1
1 274 . 19 1 1 A 31 31 HIS C C 31 175.921 177.163 -1.242 1
1 275 . 19 1 1 A 31 31 HIS CA C 31 58.808 59.315 -0.507 1
1 276 . 19 1 1 A 31 31 HIS CB C 31 28.456 30.075 -1.619 1
1 279 . 19 1 1 A 31 31 HIS N N 31 121.035 120.972 0.063 1
1 280 . 19 1 1 A 32 32 GLN H H 32 8.120 8.587 -0.467 1
1 281 . 19 1 1 A 32 32 GLN HA H 32 3.662 3.983 -0.321 1
1 288 . 19 1 1 A 32 32 GLN C C 32 177.273 178.555 -1.282 1
1 289 . 19 1 1 A 32 32 GLN CA C 32 59.264 58.956 0.308 1
1 290 . 19 1 1 A 32 32 GLN CB C 32 28.135 28.244 -0.109 1
1 292 . 19 1 1 A 32 32 GLN N N 32 115.343 118.334 -2.991 1
1 294 . 19 1 1 A 33 33 ARG H H 33 7.065 7.950 -0.885 1
1 295 . 19 1 1 A 33 33 ARG HA H 33 4.124 4.061 0.063 1
1 302 . 19 1 1 A 33 33 ARG C C 33 178.476 179.038 -0.562 1
1 303 . 19 1 1 A 33 33 ARG CA C 33 58.372 58.959 -0.587 1
1 304 . 19 1 1 A 33 33 ARG CB C 33 29.919 29.876 0.043 1
1 307 . 19 1 1 A 33 33 ARG N N 33 117.435 120.153 -2.718 1
1 308 . 19 1 1 A 34 34 VAL H H 34 7.882 7.955 -0.073 1
1 309 . 19 1 1 A 34 34 VAL HA H 34 3.899 3.688 0.211 1
1 317 . 19 1 1 A 34 34 VAL C C 34 177.238 177.667 -0.429 1
1 318 . 19 1 1 A 34 34 VAL CA C 34 63.969 65.262 -1.293 1
1 319 . 19 1 1 A 34 34 VAL CB C 34 31.000 31.185 -0.185 1
1 322 . 19 1 1 A 34 34 VAL N N 34 116.190 116.787 -0.597 1
1 323 . 19 1 1 A 35 35 HIS H H 35 7.203 7.690 -0.487 1
1 324 . 19 1 1 A 35 35 HIS HA H 35 4.877 4.474 0.403 1
1 329 . 19 1 1 A 35 35 HIS C C 35 175.781 175.993 -0.212 1
1 330 . 19 1 1 A 35 35 HIS CA C 35 55.155 58.810 -3.655 1
1 331 . 19 1 1 A 35 35 HIS CB C 35 28.648 30.068 -1.420 1
1 334 . 19 1 1 A 35 35 HIS N N 35 117.199 120.046 -2.847 1
1 335 . 19 1 1 A 36 36 THR H H 36 7.779 7.950 -0.171 1
1 336 . 19 1 1 A 36 36 THR HA H 36 4.353 4.365 -0.012 1
1 341 . 19 1 1 A 36 36 THR C C 36 175.511 174.689 0.822 1
1 342 . 19 1 1 A 36 36 THR CA C 36 62.495 61.181 1.314 1
1 343 . 19 1 1 A 36 36 THR CB C 36 69.840 68.723 1.117 1
1 345 . 19 1 1 A 36 36 THR N N 36 111.736 109.576 2.160 1
1 346 . 19 1 1 A 37 37 GLY H H 37 8.231 7.566 0.665 1
1 347 . 19 1 1 A 37 37 GLY HA2 H 37 4.026 4.098 -0.072 1
1 348 . 19 1 1 A 37 37 GLY HA3 H 37 3.951 4.109 -0.158 1
1 349 . 19 1 1 A 37 37 GLY C C 37 174.029 174.196 -0.167 1
1 350 . 19 1 1 A 37 37 GLY CA C 37 45.277 45.681 -0.404 1
1 351 . 19 1 1 A 37 37 GLY N N 37 110.634 110.697 -0.063 1
1 352 . 19 1 1 A 38 38 GLU H H 38 8.089 7.852 0.237 1
1 353 . 19 1 1 A 38 38 GLU HA H 38 4.246 4.826 -0.580 1
1 358 . 19 1 1 A 38 38 GLU C C 38 176.458 174.594 1.864 1
1 359 . 19 1 1 A 38 38 GLU CA C 38 56.489 55.367 1.122 1
1 360 . 19 1 1 A 38 38 GLU CB C 38 30.515 33.371 -2.856 1
1 362 . 19 1 1 A 38 38 GLU N N 38 120.563 119.399 1.164 1
1 363 . 19 1 1 A 39 39 LYS H H 39 8.395 8.781 -0.386 1
1 364 . 19 1 1 A 39 39 LYS HA H 39 4.604 4.994 -0.390 1
1 373 . 19 1 1 A 39 39 LYS C C 39 174.345 174.767 -0.422 1
1 374 . 19 1 1 A 39 39 LYS CA C 39 54.144 53.429 0.715 1
1 375 . 19 1 1 A 39 39 LYS CB C 39 32.504 34.705 -2.201 1
1 379 . 19 1 1 A 39 39 LYS N N 39 123.827 123.704 0.123 1
1 380 . 19 1 1 A 40 40 PRO HA H 40 4.456 4.627 -0.171 1
1 387 . 19 1 1 A 40 40 PRO CA C 40 63.186 62.538 0.648 1
1 388 . 19 1 1 A 40 40 PRO CB C 40 32.177 32.466 -0.289 1
1 391 . 19 1 1 A 41 41 SER H H 41 8.483 8.530 -0.047 1
1 392 . 19 1 1 A 41 41 SER HA H 41 4.453 5.181 -0.728 1
1 395 . 19 1 1 A 41 41 SER CA C 41 58.591 57.559 1.032 1
1 396 . 19 1 1 A 41 41 SER CB C 41 63.944 66.546 -2.602 1
1 397 . 19 1 1 A 41 41 SER N N 41 116.550 115.710 0.840 1
1 398 . 19 1 1 A 42 42 GLY H H 42 8.230 8.526 -0.296 1
1 399 . 19 1 1 A 42 42 GLY HA2 H 42 4.159 4.329 -0.170 1
1 400 . 19 1 1 A 42 42 GLY HA3 H 42 4.111 4.330 -0.219 1
1 401 . 19 1 1 A 42 42 GLY CA C 42 44.656 45.001 -0.345 1
1 402 . 19 1 1 A 42 42 GLY N N 42 110.653 110.897 -0.244 1
1 403 . 19 1 1 A 43 43 PRO HA H 43 4.466 4.487 -0.021 1
1 410 . 19 1 1 A 43 43 PRO CA C 43 63.318 64.085 -0.767 1
1 411 . 19 1 1 A 43 43 PRO CB C 43 32.206 31.910 0.296 1
1 414 . 19 1 1 A 44 44 SER H H 44 8.485 8.318 0.167 1
1 1 . 20 1 1 A 9 9 GLY H H 9 8.233 8.480 -0.247 1
1 2 . 20 1 1 A 9 9 GLY HA2 H 9 4.025 4.168 -0.143 1
1 3 . 20 1 1 A 9 9 GLY HA3 H 9 3.948 4.171 -0.223 1
1 4 . 20 1 1 A 9 9 GLY C C 9 174.022 172.857 1.165 1
1 5 . 20 1 1 A 9 9 GLY CA C 9 45.367 44.776 0.591 1
1 6 . 20 1 1 A 9 9 GLY N N 9 110.543 113.719 -3.176 1
1 7 . 20 1 1 A 10 10 GLU H H 10 8.175 8.840 -0.665 1
1 8 . 20 1 1 A 10 10 GLU HA H 10 4.187 4.987 -0.800 1
1 13 . 20 1 1 A 10 10 GLU C C 10 176.220 174.981 1.239 1
1 14 . 20 1 1 A 10 10 GLU CA C 10 56.730 54.537 2.193 1
1 15 . 20 1 1 A 10 10 GLU CB C 10 30.395 33.944 -3.549 1
1 17 . 20 1 1 A 10 10 GLU N N 10 120.194 123.436 -3.242 1
1 18 . 20 1 1 A 11 11 LYS H H 11 8.391 8.557 -0.166 1
1 19 . 20 1 1 A 11 11 LYS HA H 11 4.528 4.933 -0.405 1
1 28 . 20 1 1 A 11 11 LYS C C 11 174.468 175.787 -1.319 1
1 29 . 20 1 1 A 11 11 LYS CA C 11 54.112 52.223 1.889 1
1 30 . 20 1 1 A 11 11 LYS CB C 11 33.635 34.094 -0.459 1
1 34 . 20 1 1 A 11 11 LYS N N 11 121.933 122.616 -0.683 1
1 35 . 20 1 1 A 12 12 PRO HA H 12 4.229 4.433 -0.204 1
1 42 . 20 1 1 A 12 12 PRO C C 12 176.420 176.061 0.359 1
1 43 . 20 1 1 A 12 12 PRO CA C 12 63.948 64.299 -0.351 1
1 44 . 20 1 1 A 12 12 PRO CB C 12 32.366 31.529 0.837 1
1 47 . 20 1 1 A 13 13 PHE H H 13 7.694 7.276 0.418 1
1 48 . 20 1 1 A 13 13 PHE HA H 13 4.700 5.130 -0.430 1
1 56 . 20 1 1 A 13 13 PHE C C 13 174.071 174.480 -0.409 1
1 57 . 20 1 1 A 13 13 PHE CA C 13 57.784 57.280 0.504 1
1 58 . 20 1 1 A 13 13 PHE CB C 13 39.605 41.818 -2.213 1
1 64 . 20 1 1 A 13 13 PHE N N 13 117.427 118.423 -0.996 1
1 65 . 20 1 1 A 14 14 LYS H H 14 8.784 8.874 -0.090 1
1 66 . 20 1 1 A 14 14 LYS HA H 14 4.976 5.321 -0.345 1
1 75 . 20 1 1 A 14 14 LYS C C 14 174.467 174.878 -0.411 1
1 76 . 20 1 1 A 14 14 LYS CA C 14 54.862 55.180 -0.318 1
1 77 . 20 1 1 A 14 14 LYS CB C 14 36.253 36.404 -0.151 1
1 81 . 20 1 1 A 14 14 LYS N N 14 125.268 121.860 3.408 1
1 82 . 20 1 1 A 15 15 CYS H H 15 9.301 9.019 0.282 1
1 83 . 20 1 1 A 15 15 CYS HA H 15 4.615 4.607 0.008 1
1 86 . 20 1 1 A 15 15 CYS C C 15 177.056 175.717 1.339 1
1 87 . 20 1 1 A 15 15 CYS CA C 15 59.312 58.976 0.336 1
1 88 . 20 1 1 A 15 15 CYS CB C 15 29.488 27.648 1.840 1
1 89 . 20 1 1 A 15 15 CYS N N 15 128.099 125.379 2.720 1
1 90 . 20 1 1 A 16 16 GLU H H 16 9.566 8.784 0.782 1
1 91 . 20 1 1 A 16 16 GLU HA H 16 4.132 4.092 0.040 1
1 96 . 20 1 1 A 16 16 GLU C C 16 177.004 178.493 -1.489 1
1 97 . 20 1 1 A 16 16 GLU CA C 16 58.483 59.221 -0.738 1
1 98 . 20 1 1 A 16 16 GLU CB C 16 29.405 29.306 0.099 1
1 100 . 20 1 1 A 16 16 GLU N N 16 132.079 127.435 4.644 1
1 101 . 20 1 1 A 17 17 GLU H H 17 8.515 8.446 0.069 1
1 102 . 20 1 1 A 17 17 GLU HA H 17 4.166 3.928 0.238 1
1 107 . 20 1 1 A 17 17 GLU C C 17 177.263 178.137 -0.874 1
1 108 . 20 1 1 A 17 17 GLU CA C 17 58.536 58.585 -0.049 1
1 109 . 20 1 1 A 17 17 GLU CB C 17 29.369 28.343 1.026 1
1 111 . 20 1 1 A 17 17 GLU N N 17 119.982 120.119 -0.137 1
1 112 . 20 1 1 A 18 18 CYS H H 18 7.938 7.868 0.070 1
1 113 . 20 1 1 A 18 18 CYS HA H 18 5.196 4.708 0.488 1
1 116 . 20 1 1 A 18 18 CYS C C 18 176.278 175.553 0.725 1
1 117 . 20 1 1 A 18 18 CYS CA C 18 58.263 59.431 -1.168 1
1 118 . 20 1 1 A 18 18 CYS CB C 18 32.587 30.085 2.502 1
1 119 . 20 1 1 A 18 18 CYS N N 18 114.272 114.658 -0.386 1
1 120 . 20 1 1 A 19 19 GLY H H 19 8.314 8.417 -0.103 1
1 121 . 20 1 1 A 19 19 GLY HA2 H 19 4.268 4.085 0.183 1
1 122 . 20 1 1 A 19 19 GLY HA3 H 19 3.673 4.094 -0.421 1
1 123 . 20 1 1 A 19 19 GLY C C 19 173.616 174.743 -1.127 1
1 124 . 20 1 1 A 19 19 GLY CA C 19 46.257 45.013 1.244 1
1 125 . 20 1 1 A 19 19 GLY N N 19 114.021 109.873 4.148 1
1 126 . 20 1 1 A 20 20 LYS H H 20 7.978 7.329 0.649 1
1 127 . 20 1 1 A 20 20 LYS HA H 20 3.931 4.281 -0.350 1
1 136 . 20 1 1 A 20 20 LYS C C 20 174.188 175.236 -1.048 1
1 137 . 20 1 1 A 20 20 LYS CA C 20 58.366 56.284 2.082 1
1 138 . 20 1 1 A 20 20 LYS CB C 20 33.708 34.170 -0.462 1
1 142 . 20 1 1 A 20 20 LYS N N 20 122.893 120.256 2.637 1
1 143 . 20 1 1 A 21 21 ARG H H 21 7.701 7.996 -0.295 1
1 144 . 20 1 1 A 21 21 ARG HA H 21 5.225 5.462 -0.237 1
1 151 . 20 1 1 A 21 21 ARG C C 21 175.407 174.604 0.803 1
1 152 . 20 1 1 A 21 21 ARG CA C 21 54.329 54.363 -0.034 1
1 153 . 20 1 1 A 21 21 ARG CB C 21 33.812 34.624 -0.812 1
1 156 . 20 1 1 A 21 21 ARG N N 21 118.953 118.652 0.301 1
1 157 . 20 1 1 A 22 22 PHE H H 22 8.809 8.898 -0.089 1
1 158 . 20 1 1 A 22 22 PHE HA H 22 4.843 4.873 -0.030 1
1 166 . 20 1 1 A 22 22 PHE C C 22 175.443 175.566 -0.123 1
1 167 . 20 1 1 A 22 22 PHE CA C 22 57.033 56.949 0.084 1
1 168 . 20 1 1 A 22 22 PHE CB C 22 43.947 43.231 0.716 1
1 174 . 20 1 1 A 22 22 PHE N N 22 116.286 119.711 -3.425 1
1 175 . 20 1 1 A 23 23 THR H H 23 8.980 8.730 0.250 1
1 176 . 20 1 1 A 23 23 THR HA H 23 4.463 4.486 -0.023 1
1 181 . 20 1 1 A 23 23 THR C C 23 174.420 174.150 0.270 1
1 182 . 20 1 1 A 23 23 THR CA C 23 64.989 63.639 1.350 1
1 183 . 20 1 1 A 23 23 THR CB C 23 69.648 69.941 -0.293 1
1 185 . 20 1 1 A 23 23 THR N N 23 114.709 116.907 -2.198 1
1 186 . 20 1 1 A 24 24 GLN H H 24 7.526 7.781 -0.255 1
1 187 . 20 1 1 A 24 24 GLN HA H 24 4.809 4.439 0.370 1
1 194 . 20 1 1 A 24 24 GLN C C 24 176.247 175.370 0.877 1
1 195 . 20 1 1 A 24 24 GLN CA C 24 53.833 54.279 -0.446 1
1 196 . 20 1 1 A 24 24 GLN CB C 24 32.628 32.023 0.605 1
1 198 . 20 1 1 A 24 24 GLN N N 24 115.299 118.370 -3.071 1
1 200 . 20 1 1 A 25 25 ASN HA H 25 3.359 3.742 -0.383 1
1 205 . 20 1 1 A 25 25 ASN CA C 25 55.668 55.616 0.052 1
1 206 . 20 1 1 A 25 25 ASN CB C 25 37.930 37.312 0.618 1
1 207 . 20 1 1 A 25 25 ASN N N 25 119.000 119.966 -0.966 1
1 209 . 20 1 1 A 26 26 SER HA H 26 4.003 3.945 0.058 1
1 212 . 20 1 1 A 26 26 SER C C 26 177.207 176.953 0.254 1
1 213 . 20 1 1 A 26 26 SER CA C 26 60.851 61.258 -0.407 1
1 214 . 20 1 1 A 26 26 SER CB C 26 61.368 62.865 -1.497 1
1 215 . 20 1 1 A 26 26 SER N N 26 118.833 114.218 4.615 1
1 216 . 20 1 1 A 27 27 GLN H H 27 6.685 7.641 -0.956 1
1 217 . 20 1 1 A 27 27 GLN HA H 27 4.060 3.896 0.164 1
1 224 . 20 1 1 A 27 27 GLN C C 27 178.447 177.692 0.755 1
1 225 . 20 1 1 A 27 27 GLN CA C 27 57.550 58.699 -1.149 1
1 226 . 20 1 1 A 27 27 GLN CB C 27 28.617 28.430 0.187 1
1 228 . 20 1 1 A 27 27 GLN N N 27 121.169 121.570 -0.401 1
1 230 . 20 1 1 A 28 28 LEU H H 28 6.836 7.268 -0.432 1
1 231 . 20 1 1 A 28 28 LEU HA H 28 3.150 2.390 0.760 1
1 241 . 20 1 1 A 28 28 LEU C C 28 177.696 178.184 -0.488 1
1 242 . 20 1 1 A 28 28 LEU CA C 28 57.849 57.494 0.355 1
1 243 . 20 1 1 A 28 28 LEU CB C 28 40.265 41.632 -1.367 1
1 247 . 20 1 1 A 28 28 LEU N N 28 121.952 121.106 0.846 1
1 248 . 20 1 1 A 29 29 HIS H H 29 8.184 8.884 -0.700 1
1 249 . 20 1 1 A 29 29 HIS HA H 29 4.354 4.327 0.027 1
1 254 . 20 1 1 A 29 29 HIS C C 29 178.575 177.238 1.337 1
1 255 . 20 1 1 A 29 29 HIS CA C 29 59.335 59.255 0.080 1
1 256 . 20 1 1 A 29 29 HIS CB C 29 30.003 29.602 0.401 1
1 259 . 20 1 1 A 29 29 HIS N N 29 118.076 117.194 0.882 1
1 260 . 20 1 1 A 30 30 SER H H 30 7.774 7.789 -0.015 1
1 261 . 20 1 1 A 30 30 SER HA H 30 4.114 4.171 -0.057 1
1 264 . 20 1 1 A 30 30 SER C C 30 176.995 176.719 0.276 1
1 265 . 20 1 1 A 30 30 SER CA C 30 61.403 60.526 0.877 1
1 266 . 20 1 1 A 30 30 SER CB C 30 62.700 62.909 -0.209 1
1 267 . 20 1 1 A 30 30 SER N N 30 113.416 114.968 -1.552 1
1 268 . 20 1 1 A 31 31 HIS H H 31 7.674 7.694 -0.020 1
1 269 . 20 1 1 A 31 31 HIS HA H 31 4.244 4.209 0.035 1
1 274 . 20 1 1 A 31 31 HIS C C 31 175.921 177.209 -1.288 1
1 275 . 20 1 1 A 31 31 HIS CA C 31 58.808 59.347 -0.539 1
1 276 . 20 1 1 A 31 31 HIS CB C 31 28.456 30.106 -1.650 1
1 279 . 20 1 1 A 31 31 HIS N N 31 121.035 120.959 0.076 1
1 280 . 20 1 1 A 32 32 GLN H H 32 8.120 8.629 -0.509 1
1 281 . 20 1 1 A 32 32 GLN HA H 32 3.662 4.118 -0.456 1
1 288 . 20 1 1 A 32 32 GLN C C 32 177.273 178.518 -1.245 1
1 289 . 20 1 1 A 32 32 GLN CA C 32 59.264 59.017 0.247 1
1 290 . 20 1 1 A 32 32 GLN CB C 32 28.135 28.233 -0.098 1
1 292 . 20 1 1 A 32 32 GLN N N 32 115.343 117.876 -2.533 1
1 294 . 20 1 1 A 33 33 ARG H H 33 7.065 8.117 -1.052 1
1 295 . 20 1 1 A 33 33 ARG HA H 33 4.124 4.286 -0.162 1
1 302 . 20 1 1 A 33 33 ARG C C 33 178.476 179.007 -0.531 1
1 303 . 20 1 1 A 33 33 ARG CA C 33 58.372 59.002 -0.630 1
1 304 . 20 1 1 A 33 33 ARG CB C 33 29.919 30.023 -0.104 1
1 307 . 20 1 1 A 33 33 ARG N N 33 117.435 120.418 -2.983 1
1 308 . 20 1 1 A 34 34 VAL H H 34 7.882 7.980 -0.098 1
1 309 . 20 1 1 A 34 34 VAL HA H 34 3.899 3.718 0.181 1
1 317 . 20 1 1 A 34 34 VAL C C 34 177.238 177.363 -0.125 1
1 318 . 20 1 1 A 34 34 VAL CA C 34 63.969 65.241 -1.272 1
1 319 . 20 1 1 A 34 34 VAL CB C 34 31.000 31.232 -0.232 1
1 322 . 20 1 1 A 34 34 VAL N N 34 116.190 116.768 -0.578 1
1 323 . 20 1 1 A 35 35 HIS H H 35 7.203 7.809 -0.606 1
1 324 . 20 1 1 A 35 35 HIS HA H 35 4.877 4.440 0.437 1
1 329 . 20 1 1 A 35 35 HIS C C 35 175.781 176.099 -0.318 1
1 330 . 20 1 1 A 35 35 HIS CA C 35 55.155 58.333 -3.178 1
1 331 . 20 1 1 A 35 35 HIS CB C 35 28.648 30.714 -2.066 1
1 334 . 20 1 1 A 35 35 HIS N N 35 117.199 119.995 -2.796 1
1 335 . 20 1 1 A 36 36 THR H H 36 7.779 7.720 0.059 1
1 336 . 20 1 1 A 36 36 THR HA H 36 4.353 4.294 0.059 1
1 341 . 20 1 1 A 36 36 THR C C 36 175.511 174.568 0.943 1
1 342 . 20 1 1 A 36 36 THR CA C 36 62.495 61.337 1.158 1
1 343 . 20 1 1 A 36 36 THR CB C 36 69.840 68.579 1.261 1
1 345 . 20 1 1 A 36 36 THR N N 36 111.736 111.174 0.562 1
1 346 . 20 1 1 A 37 37 GLY H H 37 8.231 7.629 0.602 1
1 347 . 20 1 1 A 37 37 GLY HA2 H 37 4.026 4.052 -0.026 1
1 348 . 20 1 1 A 37 37 GLY HA3 H 37 3.951 4.063 -0.112 1
1 349 . 20 1 1 A 37 37 GLY C C 37 174.029 173.682 0.347 1
1 350 . 20 1 1 A 37 37 GLY CA C 37 45.277 45.746 -0.469 1
1 351 . 20 1 1 A 37 37 GLY N N 37 110.634 110.707 -0.073 1
1 352 . 20 1 1 A 38 38 GLU H H 38 8.089 7.797 0.292 1
1 353 . 20 1 1 A 38 38 GLU HA H 38 4.246 4.613 -0.367 1
1 358 . 20 1 1 A 38 38 GLU C C 38 176.458 175.653 0.805 1
1 359 . 20 1 1 A 38 38 GLU CA C 38 56.489 55.577 0.912 1
1 360 . 20 1 1 A 38 38 GLU CB C 38 30.515 31.272 -0.757 1
1 362 . 20 1 1 A 38 38 GLU N N 38 120.563 121.657 -1.094 1
1 363 . 20 1 1 A 39 39 LYS H H 39 8.395 9.112 -0.717 1
1 364 . 20 1 1 A 39 39 LYS HA H 39 4.604 5.026 -0.422 1
1 373 . 20 1 1 A 39 39 LYS C C 39 174.345 174.503 -0.158 1
1 374 . 20 1 1 A 39 39 LYS CA C 39 54.144 53.252 0.892 1
1 375 . 20 1 1 A 39 39 LYS CB C 39 32.504 35.221 -2.717 1
1 379 . 20 1 1 A 39 39 LYS N N 39 123.827 124.105 -0.278 1
1 380 . 20 1 1 A 40 40 PRO HA H 40 4.456 4.532 -0.076 1
1 387 . 20 1 1 A 40 40 PRO CA C 40 63.186 62.551 0.635 1
1 388 . 20 1 1 A 40 40 PRO CB C 40 32.177 32.443 -0.266 1
1 391 . 20 1 1 A 41 41 SER H H 41 8.483 8.583 -0.100 1
1 392 . 20 1 1 A 41 41 SER HA H 41 4.453 4.420 0.033 1
1 395 . 20 1 1 A 41 41 SER CA C 41 58.591 58.815 -0.224 1
1 396 . 20 1 1 A 41 41 SER CB C 41 63.944 63.276 0.668 1
1 397 . 20 1 1 A 41 41 SER N N 41 116.550 114.936 1.614 1
1 398 . 20 1 1 A 42 42 GLY H H 42 8.230 8.312 -0.082 1
1 399 . 20 1 1 A 42 42 GLY HA2 H 42 4.159 4.178 -0.019 1
1 400 . 20 1 1 A 42 42 GLY HA3 H 42 4.111 4.179 -0.068 1
1 401 . 20 1 1 A 42 42 GLY CA C 42 44.656 45.087 -0.431 1
1 402 . 20 1 1 A 42 42 GLY N N 42 110.653 111.307 -0.654 1
1 403 . 20 1 1 A 43 43 PRO HA H 43 4.466 4.572 -0.106 1
1 410 . 20 1 1 A 43 43 PRO CA C 43 63.318 63.446 -0.128 1
1 411 . 20 1 1 A 43 43 PRO CB C 43 32.206 31.975 0.231 1
1 414 . 20 1 1 A 44 44 SER H H 44 8.485 7.634 0.851 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 30 0.921 1
2 1 1 1 "RMS(OBS, PRED)" CA 35 1.103 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.243 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.427 1
5 1 1 1 "RMS(OBS, PRED)" HA 39 0.330 1
6 1 1 1 "RMS(OBS, PRED)" N 32 2.451 1
7 1 2 1 "RMS(OBS, PRED)" C 30 0.901 1
8 1 2 1 "RMS(OBS, PRED)" CA 35 1.011 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.226 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.386 1
11 1 2 1 "RMS(OBS, PRED)" HA 39 0.290 1
12 1 2 1 "RMS(OBS, PRED)" N 32 2.081 1
13 1 3 1 "RMS(OBS, PRED)" C 30 0.961 1
14 1 3 1 "RMS(OBS, PRED)" CA 35 1.181 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.250 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.507 1
17 1 3 1 "RMS(OBS, PRED)" HA 39 0.311 1
18 1 3 1 "RMS(OBS, PRED)" N 32 2.850 1
19 1 4 1 "RMS(OBS, PRED)" C 30 0.936 1
20 1 4 1 "RMS(OBS, PRED)" CA 35 1.173 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.001 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.362 1
23 1 4 1 "RMS(OBS, PRED)" HA 39 0.294 1
24 1 4 1 "RMS(OBS, PRED)" N 32 2.461 1
25 1 5 1 "RMS(OBS, PRED)" C 30 1.056 1
26 1 5 1 "RMS(OBS, PRED)" CA 35 1.221 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.089 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.427 1
29 1 5 1 "RMS(OBS, PRED)" HA 39 0.296 1
30 1 5 1 "RMS(OBS, PRED)" N 32 2.338 1
31 1 6 1 "RMS(OBS, PRED)" C 30 0.873 1
32 1 6 1 "RMS(OBS, PRED)" CA 35 1.080 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.094 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.398 1
35 1 6 1 "RMS(OBS, PRED)" HA 39 0.316 1
36 1 6 1 "RMS(OBS, PRED)" N 32 2.594 1
37 1 7 1 "RMS(OBS, PRED)" C 30 0.849 1
38 1 7 1 "RMS(OBS, PRED)" CA 35 1.153 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.305 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.424 1
41 1 7 1 "RMS(OBS, PRED)" HA 39 0.298 1
42 1 7 1 "RMS(OBS, PRED)" N 32 2.682 1
43 1 8 1 "RMS(OBS, PRED)" C 30 1.084 1
44 1 8 1 "RMS(OBS, PRED)" CA 35 1.171 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.371 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.443 1
47 1 8 1 "RMS(OBS, PRED)" HA 39 0.338 1
48 1 8 1 "RMS(OBS, PRED)" N 32 2.201 1
49 1 9 1 "RMS(OBS, PRED)" C 30 0.917 1
50 1 9 1 "RMS(OBS, PRED)" CA 35 1.119 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.147 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.458 1
53 1 9 1 "RMS(OBS, PRED)" HA 39 0.299 1
54 1 9 1 "RMS(OBS, PRED)" N 32 2.638 1
55 1 10 1 "RMS(OBS, PRED)" C 30 0.993 1
56 1 10 1 "RMS(OBS, PRED)" CA 35 1.279 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.264 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.422 1
59 1 10 1 "RMS(OBS, PRED)" HA 39 0.366 1
60 1 10 1 "RMS(OBS, PRED)" N 32 2.320 1
61 1 11 1 "RMS(OBS, PRED)" C 30 0.851 1
62 1 11 1 "RMS(OBS, PRED)" CA 35 1.100 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.275 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.408 1
65 1 11 1 "RMS(OBS, PRED)" HA 39 0.295 1
66 1 11 1 "RMS(OBS, PRED)" N 32 2.457 1
67 1 12 1 "RMS(OBS, PRED)" C 30 0.854 1
68 1 12 1 "RMS(OBS, PRED)" CA 35 1.248 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.178 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.498 1
71 1 12 1 "RMS(OBS, PRED)" HA 39 0.276 1
72 1 12 1 "RMS(OBS, PRED)" N 32 3.120 1
73 1 13 1 "RMS(OBS, PRED)" C 30 1.089 1
74 1 13 1 "RMS(OBS, PRED)" CA 35 1.116 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.180 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.401 1
77 1 13 1 "RMS(OBS, PRED)" HA 39 0.351 1
78 1 13 1 "RMS(OBS, PRED)" N 32 2.302 1
79 1 14 1 "RMS(OBS, PRED)" C 30 0.945 1
80 1 14 1 "RMS(OBS, PRED)" CA 35 1.108 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.228 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.413 1
83 1 14 1 "RMS(OBS, PRED)" HA 39 0.317 1
84 1 14 1 "RMS(OBS, PRED)" N 32 2.699 1
85 1 15 1 "RMS(OBS, PRED)" C 30 0.971 1
86 1 15 1 "RMS(OBS, PRED)" CA 35 1.116 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.206 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.449 1
89 1 15 1 "RMS(OBS, PRED)" HA 39 0.318 1
90 1 15 1 "RMS(OBS, PRED)" N 32 2.400 1
91 1 16 1 "RMS(OBS, PRED)" C 30 0.925 1
92 1 16 1 "RMS(OBS, PRED)" CA 35 0.958 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.391 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.437 1
95 1 16 1 "RMS(OBS, PRED)" HA 39 0.308 1
96 1 16 1 "RMS(OBS, PRED)" N 32 2.373 1
97 1 17 1 "RMS(OBS, PRED)" C 30 1.030 1
98 1 17 1 "RMS(OBS, PRED)" CA 35 1.301 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.332 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.399 1
101 1 17 1 "RMS(OBS, PRED)" HA 39 0.322 1
102 1 17 1 "RMS(OBS, PRED)" N 32 2.551 1
103 1 18 1 "RMS(OBS, PRED)" C 30 1.028 1
104 1 18 1 "RMS(OBS, PRED)" CA 35 1.087 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.259 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.431 1
107 1 18 1 "RMS(OBS, PRED)" HA 39 0.312 1
108 1 18 1 "RMS(OBS, PRED)" N 32 2.492 1
109 1 19 1 "RMS(OBS, PRED)" C 30 0.958 1
110 1 19 1 "RMS(OBS, PRED)" CA 35 1.110 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.342 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.417 1
113 1 19 1 "RMS(OBS, PRED)" HA 39 0.335 1
114 1 19 1 "RMS(OBS, PRED)" N 32 2.188 1
115 1 20 1 "RMS(OBS, PRED)" C 30 0.877 1
116 1 20 1 "RMS(OBS, PRED)" CA 35 1.055 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.328 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.487 1
119 1 20 1 "RMS(OBS, PRED)" HA 39 0.308 1
120 1 20 1 "RMS(OBS, PRED)" N 32 2.324 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 H H 9 8.233 8.337 -0.104 2
1 2 . 1 1 A 9 9 GLY HA2 H 9 4.025 4.101 -0.076 2
1 3 . 1 1 A 9 9 GLY HA3 H 9 3.948 4.105 -0.157 2
1 4 . 1 1 A 9 9 GLY C C 9 174.022 172.950 1.072 2
1 5 . 1 1 A 9 9 GLY CA C 9 45.367 45.125 0.242 2
1 6 . 1 1 A 9 9 GLY N N 9 110.543 110.990 -0.447 2
1 7 . 1 1 A 10 10 GLU H H 10 8.175 8.430 -0.255 2
1 8 . 1 1 A 10 10 GLU HA H 10 4.187 4.789 -0.602 2
1 13 . 1 1 A 10 10 GLU C C 10 176.220 175.434 0.786 2
1 14 . 1 1 A 10 10 GLU CA C 10 56.730 55.613 1.117 2
1 15 . 1 1 A 10 10 GLU CB C 10 30.395 31.815 -1.420 2
1 17 . 1 1 A 10 10 GLU N N 10 120.194 120.612 -0.418 2
1 18 . 1 1 A 11 11 LYS H H 11 8.391 8.519 -0.128 2
1 19 . 1 1 A 11 11 LYS HA H 11 4.528 4.963 -0.435 2
1 28 . 1 1 A 11 11 LYS C C 11 174.468 175.720 -1.252 2
1 29 . 1 1 A 11 11 LYS CA C 11 54.112 52.537 1.575 2
1 30 . 1 1 A 11 11 LYS CB C 11 33.635 34.669 -1.034 2
1 34 . 1 1 A 11 11 LYS N N 11 121.933 123.974 -2.041 2
1 35 . 1 1 A 12 12 PRO HA H 12 4.229 4.407 -0.178 2
1 42 . 1 1 A 12 12 PRO C C 12 176.420 176.069 0.351 2
1 43 . 1 1 A 12 12 PRO CA C 12 63.948 64.338 -0.390 2
1 44 . 1 1 A 12 12 PRO CB C 12 32.366 31.647 0.719 2
1 47 . 1 1 A 13 13 PHE H H 13 7.694 7.294 0.400 2
1 48 . 1 1 A 13 13 PHE HA H 13 4.700 5.102 -0.402 2
1 56 . 1 1 A 13 13 PHE C C 13 174.071 174.472 -0.401 2
1 57 . 1 1 A 13 13 PHE CA C 13 57.784 57.120 0.664 2
1 58 . 1 1 A 13 13 PHE CB C 13 39.605 41.502 -1.897 2
1 64 . 1 1 A 13 13 PHE N N 13 117.427 118.412 -0.985 2
1 65 . 1 1 A 14 14 LYS H H 14 8.784 8.897 -0.113 2
1 66 . 1 1 A 14 14 LYS HA H 14 4.976 5.344 -0.368 2
1 75 . 1 1 A 14 14 LYS C C 14 174.467 174.971 -0.504 2
1 76 . 1 1 A 14 14 LYS CA C 14 54.862 55.005 -0.143 2
1 77 . 1 1 A 14 14 LYS CB C 14 36.253 36.488 -0.235 2
1 81 . 1 1 A 14 14 LYS N N 14 125.268 122.292 2.976 2
1 82 . 1 1 A 15 15 CYS H H 15 9.301 9.141 0.160 2
1 83 . 1 1 A 15 15 CYS HA H 15 4.615 4.639 -0.024 2
1 86 . 1 1 A 15 15 CYS C C 15 177.056 175.818 1.238 2
1 87 . 1 1 A 15 15 CYS CA C 15 59.312 59.120 0.192 2
1 88 . 1 1 A 15 15 CYS CB C 15 29.488 27.936 1.552 2
1 89 . 1 1 A 15 15 CYS N N 15 128.099 125.358 2.741 2
1 90 . 1 1 A 16 16 GLU H H 16 9.566 8.752 0.814 2
1 91 . 1 1 A 16 16 GLU HA H 16 4.132 4.109 0.023 2
1 96 . 1 1 A 16 16 GLU C C 16 177.004 178.503 -1.499 2
1 97 . 1 1 A 16 16 GLU CA C 16 58.483 59.281 -0.798 2
1 98 . 1 1 A 16 16 GLU CB C 16 29.405 29.302 0.103 2
1 100 . 1 1 A 16 16 GLU N N 16 132.079 127.467 4.612 2
1 101 . 1 1 A 17 17 GLU H H 17 8.515 8.368 0.147 2
1 102 . 1 1 A 17 17 GLU HA H 17 4.166 3.912 0.254 2
1 107 . 1 1 A 17 17 GLU C C 17 177.263 178.244 -0.981 2
1 108 . 1 1 A 17 17 GLU CA C 17 58.536 58.574 -0.038 2
1 109 . 1 1 A 17 17 GLU CB C 17 29.369 28.389 0.980 2
1 111 . 1 1 A 17 17 GLU N N 17 119.982 120.337 -0.355 2
1 112 . 1 1 A 18 18 CYS H H 18 7.938 7.800 0.138 2
1 113 . 1 1 A 18 18 CYS HA H 18 5.196 4.723 0.473 2
1 116 . 1 1 A 18 18 CYS C C 18 176.278 175.600 0.678 2
1 117 . 1 1 A 18 18 CYS CA C 18 58.263 59.417 -1.155 2
1 118 . 1 1 A 18 18 CYS CB C 18 32.587 30.174 2.413 2
1 119 . 1 1 A 18 18 CYS N N 18 114.272 114.660 -0.388 2
1 120 . 1 1 A 19 19 GLY H H 19 8.314 8.307 0.007 2
1 121 . 1 1 A 19 19 GLY HA2 H 19 4.268 4.087 0.181 2
1 122 . 1 1 A 19 19 GLY HA3 H 19 3.673 4.097 -0.424 2
1 123 . 1 1 A 19 19 GLY C C 19 173.616 174.724 -1.108 2
1 124 . 1 1 A 19 19 GLY CA C 19 46.257 44.972 1.285 2
1 125 . 1 1 A 19 19 GLY N N 19 114.021 109.913 4.108 2
1 126 . 1 1 A 20 20 LYS H H 20 7.978 7.336 0.642 2
1 127 . 1 1 A 20 20 LYS HA H 20 3.931 4.269 -0.338 2
1 136 . 1 1 A 20 20 LYS C C 20 174.188 175.126 -0.938 2
1 137 . 1 1 A 20 20 LYS CA C 20 58.366 56.308 2.058 2
1 138 . 1 1 A 20 20 LYS CB C 20 33.708 34.185 -0.477 2
1 142 . 1 1 A 20 20 LYS N N 20 122.893 120.347 2.547 2
1 143 . 1 1 A 21 21 ARG H H 21 7.701 7.972 -0.271 2
1 144 . 1 1 A 21 21 ARG HA H 21 5.225 5.427 -0.202 2
1 151 . 1 1 A 21 21 ARG C C 21 175.407 174.460 0.947 2
1 152 . 1 1 A 21 21 ARG CA C 21 54.329 54.198 0.131 2
1 153 . 1 1 A 21 21 ARG CB C 21 33.812 34.652 -0.840 2
1 156 . 1 1 A 21 21 ARG N N 21 118.953 118.587 0.366 2
1 157 . 1 1 A 22 22 PHE H H 22 8.809 8.951 -0.142 2
1 158 . 1 1 A 22 22 PHE HA H 22 4.843 4.899 -0.056 2
1 166 . 1 1 A 22 22 PHE C C 22 175.443 175.556 -0.113 2
1 167 . 1 1 A 22 22 PHE CA C 22 57.033 56.936 0.097 2
1 168 . 1 1 A 22 22 PHE CB C 22 43.947 43.028 0.919 2
1 174 . 1 1 A 22 22 PHE N N 22 116.286 119.520 -3.234 2
1 175 . 1 1 A 23 23 THR H H 23 8.980 8.749 0.231 2
1 176 . 1 1 A 23 23 THR HA H 23 4.463 4.495 -0.032 2
1 181 . 1 1 A 23 23 THR C C 23 174.420 174.087 0.333 2
1 182 . 1 1 A 23 23 THR CA C 23 64.989 63.619 1.370 2
1 183 . 1 1 A 23 23 THR CB C 23 69.648 69.891 -0.243 2
1 185 . 1 1 A 23 23 THR N N 23 114.709 117.235 -2.526 2
1 186 . 1 1 A 24 24 GLN H H 24 7.526 7.660 -0.134 2
1 187 . 1 1 A 24 24 GLN HA H 24 4.809 4.378 0.431 2
1 194 . 1 1 A 24 24 GLN C C 24 176.247 175.241 1.006 2
1 195 . 1 1 A 24 24 GLN CA C 24 53.833 54.196 -0.363 2
1 196 . 1 1 A 24 24 GLN CB C 24 32.628 32.019 0.609 2
1 198 . 1 1 A 24 24 GLN N N 24 115.299 118.533 -3.234 2
1 200 . 1 1 A 25 25 ASN HA H 25 3.359 3.629 -0.270 2
1 205 . 1 1 A 25 25 ASN CA C 25 55.668 55.466 0.202 2
1 206 . 1 1 A 25 25 ASN CB C 25 37.930 37.096 0.834 2
1 207 . 1 1 A 25 25 ASN N N 25 119.000 120.019 -1.019 2
1 209 . 1 1 A 26 26 SER HA H 26 4.003 4.014 -0.011 2
1 212 . 1 1 A 26 26 SER C C 26 177.207 176.524 0.683 2
1 213 . 1 1 A 26 26 SER CA C 26 60.851 61.507 -0.656 2
1 214 . 1 1 A 26 26 SER CB C 26 61.368 63.032 -1.664 2
1 215 . 1 1 A 26 26 SER N N 26 118.833 114.982 3.851 2
1 216 . 1 1 A 27 27 GLN H H 27 6.685 7.497 -0.812 2
1 217 . 1 1 A 27 27 GLN HA H 27 4.060 3.914 0.146 2
1 224 . 1 1 A 27 27 GLN C C 27 178.447 177.670 0.777 2
1 225 . 1 1 A 27 27 GLN CA C 27 57.550 58.655 -1.105 2
1 226 . 1 1 A 27 27 GLN CB C 27 28.617 28.406 0.211 2
1 228 . 1 1 A 27 27 GLN N N 27 121.169 121.279 -0.110 2
1 230 . 1 1 A 28 28 LEU H H 28 6.836 7.229 -0.393 2
1 231 . 1 1 A 28 28 LEU HA H 28 3.150 2.335 0.815 2
1 241 . 1 1 A 28 28 LEU C C 28 177.696 178.145 -0.449 2
1 242 . 1 1 A 28 28 LEU CA C 28 57.849 57.441 0.408 2
1 243 . 1 1 A 28 28 LEU CB C 28 40.265 41.560 -1.295 2
1 247 . 1 1 A 28 28 LEU N N 28 121.952 121.099 0.853 2
1 248 . 1 1 A 29 29 HIS H H 29 8.184 8.722 -0.538 2
1 249 . 1 1 A 29 29 HIS HA H 29 4.354 4.312 0.042 2
1 254 . 1 1 A 29 29 HIS C C 29 178.575 177.312 1.263 2
1 255 . 1 1 A 29 29 HIS CA C 29 59.335 59.286 0.049 2
1 256 . 1 1 A 29 29 HIS CB C 29 30.003 29.581 0.422 2
1 259 . 1 1 A 29 29 HIS N N 29 118.076 117.255 0.820 2
1 260 . 1 1 A 30 30 SER H H 30 7.774 7.685 0.089 2
1 261 . 1 1 A 30 30 SER HA H 30 4.114 4.189 -0.075 2
1 264 . 1 1 A 30 30 SER C C 30 176.995 176.753 0.242 2
1 265 . 1 1 A 30 30 SER CA C 30 61.403 60.782 0.621 2
1 266 . 1 1 A 30 30 SER CB C 30 62.700 62.978 -0.278 2
1 267 . 1 1 A 30 30 SER N N 30 113.416 115.248 -1.832 2
1 268 . 1 1 A 31 31 HIS H H 31 7.674 7.693 -0.019 2
1 269 . 1 1 A 31 31 HIS HA H 31 4.244 4.233 0.011 2
1 274 . 1 1 A 31 31 HIS C C 31 175.921 177.263 -1.342 2
1 275 . 1 1 A 31 31 HIS CA C 31 58.808 59.302 -0.494 2
1 276 . 1 1 A 31 31 HIS CB C 31 28.456 30.081 -1.625 2
1 279 . 1 1 A 31 31 HIS N N 31 121.035 121.029 0.006 2
1 280 . 1 1 A 32 32 GLN H H 32 8.120 8.638 -0.518 2
1 281 . 1 1 A 32 32 GLN HA H 32 3.662 4.161 -0.499 2
1 288 . 1 1 A 32 32 GLN C C 32 177.273 178.589 -1.316 2
1 289 . 1 1 A 32 32 GLN CA C 32 59.264 58.960 0.304 2
1 290 . 1 1 A 32 32 GLN CB C 32 28.135 28.254 -0.119 2
1 292 . 1 1 A 32 32 GLN N N 32 115.343 118.355 -3.012 2
1 294 . 1 1 A 33 33 ARG H H 33 7.065 8.008 -0.943 2
1 295 . 1 1 A 33 33 ARG HA H 33 4.124 4.196 -0.072 2
1 302 . 1 1 A 33 33 ARG C C 33 178.476 179.032 -0.556 2
1 303 . 1 1 A 33 33 ARG CA C 33 58.372 58.925 -0.553 2
1 304 . 1 1 A 33 33 ARG CB C 33 29.919 29.848 0.071 2
1 307 . 1 1 A 33 33 ARG N N 33 117.435 120.244 -2.809 2
1 308 . 1 1 A 34 34 VAL H H 34 7.882 7.933 -0.051 2
1 309 . 1 1 A 34 34 VAL HA H 34 3.899 3.724 0.175 2
1 317 . 1 1 A 34 34 VAL C C 34 177.238 177.345 -0.107 2
1 318 . 1 1 A 34 34 VAL CA C 34 63.969 65.250 -1.281 2
1 319 . 1 1 A 34 34 VAL CB C 34 31.000 31.189 -0.189 2
1 322 . 1 1 A 34 34 VAL N N 34 116.190 116.727 -0.537 2
1 323 . 1 1 A 35 35 HIS H H 35 7.203 7.703 -0.500 2
1 324 . 1 1 A 35 35 HIS HA H 35 4.877 4.423 0.454 2
1 329 . 1 1 A 35 35 HIS C C 35 175.781 176.346 -0.565 2
1 330 . 1 1 A 35 35 HIS CA C 35 55.155 58.671 -3.516 2
1 331 . 1 1 A 35 35 HIS CB C 35 28.648 30.560 -1.912 2
1 334 . 1 1 A 35 35 HIS N N 35 117.199 120.029 -2.830 2
1 335 . 1 1 A 36 36 THR H H 36 7.779 7.729 0.050 2
1 336 . 1 1 A 36 36 THR HA H 36 4.353 4.264 0.088 2
1 341 . 1 1 A 36 36 THR C C 36 175.511 175.109 0.402 2
1 342 . 1 1 A 36 36 THR CA C 36 62.495 62.189 0.306 2
1 343 . 1 1 A 36 36 THR CB C 36 69.840 68.631 1.209 2
1 345 . 1 1 A 36 36 THR N N 36 111.736 109.837 1.899 2
1 346 . 1 1 A 37 37 GLY H H 37 8.231 7.843 0.388 2
1 347 . 1 1 A 37 37 GLY HA2 H 37 4.026 3.997 0.029 2
1 348 . 1 1 A 37 37 GLY HA3 H 37 3.951 4.006 -0.055 2
1 349 . 1 1 A 37 37 GLY C C 37 174.029 174.002 0.027 2
1 350 . 1 1 A 37 37 GLY CA C 37 45.277 45.867 -0.590 2
1 351 . 1 1 A 37 37 GLY N N 37 110.634 110.132 0.502 2
1 352 . 1 1 A 38 38 GLU H H 38 8.089 8.053 0.036 2
1 353 . 1 1 A 38 38 GLU HA H 38 4.246 4.645 -0.399 2
1 358 . 1 1 A 38 38 GLU C C 38 176.458 175.243 1.215 2
1 359 . 1 1 A 38 38 GLU CA C 38 56.489 55.953 0.536 2
1 360 . 1 1 A 38 38 GLU CB C 38 30.515 31.290 -0.775 2
1 362 . 1 1 A 38 38 GLU N N 38 120.563 120.271 0.292 2
1 363 . 1 1 A 39 39 LYS H H 39 8.395 8.369 0.026 2
1 364 . 1 1 A 39 39 LYS HA H 39 4.604 4.761 -0.157 2
1 373 . 1 1 A 39 39 LYS C C 39 174.345 174.574 -0.229 2
1 374 . 1 1 A 39 39 LYS CA C 39 54.144 53.781 0.363 2
1 375 . 1 1 A 39 39 LYS CB C 39 32.504 34.261 -1.757 2
1 379 . 1 1 A 39 39 LYS N N 39 123.827 122.597 1.230 2
1 380 . 1 1 A 40 40 PRO HA H 40 4.456 4.604 -0.147 2
1 387 . 1 1 A 40 40 PRO CA C 40 63.186 62.724 0.462 2
1 388 . 1 1 A 40 40 PRO CB C 40 32.177 32.224 -0.047 2
1 391 . 1 1 A 41 41 SER H H 41 8.483 8.492 -0.009 2
1 392 . 1 1 A 41 41 SER HA H 41 4.453 4.576 -0.123 2
1 395 . 1 1 A 41 41 SER CA C 41 58.591 58.678 -0.087 2
1 396 . 1 1 A 41 41 SER CB C 41 63.944 64.119 -0.175 2
1 397 . 1 1 A 41 41 SER N N 41 116.550 116.089 0.461 2
1 398 . 1 1 A 42 42 GLY H H 42 8.230 8.198 0.032 2
1 399 . 1 1 A 42 42 GLY HA2 H 42 4.159 4.138 0.021 2
1 400 . 1 1 A 42 42 GLY HA3 H 42 4.111 4.140 -0.029 2
1 401 . 1 1 A 42 42 GLY CA C 42 44.656 45.310 -0.654 2
1 402 . 1 1 A 42 42 GLY N N 42 110.653 110.140 0.513 2
1 403 . 1 1 A 43 43 PRO HA H 43 4.466 4.613 -0.147 2
1 410 . 1 1 A 43 43 PRO CA C 43 63.318 62.831 0.487 2
1 411 . 1 1 A 43 43 PRO CB C 43 32.206 31.732 0.474 2
1 414 . 1 1 A 44 44 SER H H 44 8.485 8.415 0.069 2
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