data_10186_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10186
_Entry.PDB_ID 2YTG
_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 8 8 THR CA C 8 61.919 61.196 0.723 1
1 2 . 1 1 1 A 8 8 THR HA H 8 4.367 4.804 -0.437 1
1 3 . 1 1 1 A 8 8 THR CB C 8 69.796 69.758 0.038 1
1 9 . 1 1 1 A 8 8 THR C C 8 175.193 174.788 0.405 1
1 10 . 1 1 1 A 9 9 GLY N N 9 111.079 113.444 -2.365 1
1 11 . 1 1 1 A 9 9 GLY H H 9 8.450 8.411 0.039 1
1 12 . 1 1 1 A 9 9 GLY CA C 9 45.243 44.567 0.676 1
1 13 . 1 1 1 A 9 9 GLY HA2 H 9 3.956 4.096 -0.140 1
1 14 . 1 1 1 A 9 9 GLY HA3 H 9 3.956 4.097 -0.141 1
1 15 . 1 1 1 A 9 9 GLY C C 9 173.979 171.883 2.096 1
1 16 . 1 1 1 A 10 10 GLU N N 10 120.501 118.554 1.947 1
1 17 . 1 1 1 A 10 10 GLU H H 10 8.192 8.581 -0.389 1
1 18 . 1 1 1 A 10 10 GLU CA C 10 56.560 55.132 1.428 1
1 19 . 1 1 1 A 10 10 GLU HA H 10 4.198 4.967 -0.769 1
1 20 . 1 1 1 A 10 10 GLU CB C 10 30.474 32.971 -2.497 1
1 26 . 1 1 1 A 10 10 GLU C C 10 176.188 173.919 2.269 1
1 27 . 1 1 1 A 11 11 LYS N N 11 122.926 121.817 1.109 1
1 28 . 1 1 1 A 11 11 LYS H H 11 8.346 8.632 -0.286 1
1 29 . 1 1 1 A 11 11 LYS CA C 11 54.399 52.993 1.406 1
1 30 . 1 1 1 A 11 11 LYS HA H 11 4.447 4.826 -0.379 1
1 31 . 1 1 1 A 11 11 LYS CB C 11 32.473 34.189 -1.716 1
1 43 . 1 1 1 A 11 11 LYS C C 11 174.709 176.076 -1.367 1
1 44 . 1 1 1 A 12 12 PRO CA C 12 64.071 64.063 0.008 1
1 45 . 1 1 1 A 12 12 PRO HA H 12 4.194 4.286 -0.092 1
1 46 . 1 1 1 A 12 12 PRO CB C 12 32.233 31.401 0.832 1
1 55 . 1 1 1 A 12 12 PRO C C 12 176.563 175.824 0.739 1
1 56 . 1 1 1 A 13 13 PHE N N 13 117.437 118.346 -0.909 1
1 57 . 1 1 1 A 13 13 PHE H H 13 7.906 7.349 0.557 1
1 58 . 1 1 1 A 13 13 PHE CA C 13 57.216 56.770 0.446 1
1 59 . 1 1 1 A 13 13 PHE HA H 13 4.733 5.326 -0.593 1
1 60 . 1 1 1 A 13 13 PHE CB C 13 38.760 42.277 -3.517 1
1 73 . 1 1 1 A 13 13 PHE C C 13 174.019 174.365 -0.346 1
1 74 . 1 1 1 A 14 14 LYS N N 14 125.906 122.084 3.822 1
1 75 . 1 1 1 A 14 14 LYS H H 14 8.558 8.774 -0.216 1
1 76 . 1 1 1 A 14 14 LYS CA C 14 55.253 55.732 -0.479 1
1 77 . 1 1 1 A 14 14 LYS HA H 14 4.753 4.835 -0.082 1
1 78 . 1 1 1 A 14 14 LYS CB C 14 35.471 36.767 -1.296 1
1 90 . 1 1 1 A 14 14 LYS C C 14 175.156 174.274 0.882 1
1 91 . 1 1 1 A 15 15 CYS N N 15 128.017 123.975 4.042 1
1 92 . 1 1 1 A 15 15 CYS H H 15 9.322 8.618 0.704 1
1 93 . 1 1 1 A 15 15 CYS CA C 15 59.976 57.965 2.011 1
1 94 . 1 1 1 A 15 15 CYS HA H 15 4.451 4.833 -0.382 1
1 95 . 1 1 1 A 15 15 CYS CB C 15 29.411 29.139 0.272 1
1 98 . 1 1 1 A 15 15 CYS C C 15 177.343 176.204 1.139 1
1 99 . 1 1 1 A 16 16 GLY N N 16 120.643 114.998 5.645 1
1 100 . 1 1 1 A 16 16 GLY H H 16 9.425 8.797 0.628 1
1 101 . 1 1 1 A 16 16 GLY CA C 16 46.692 46.167 0.525 1
1 102 . 1 1 1 A 16 16 GLY HA2 H 16 3.969 3.918 0.051 1
1 103 . 1 1 1 A 16 16 GLY HA3 H 16 4.034 3.919 0.115 1
1 104 . 1 1 1 A 16 16 GLY C C 16 174.008 173.915 0.093 1
1 105 . 1 1 1 A 17 17 GLU N N 17 121.284 117.475 3.809 1
1 106 . 1 1 1 A 17 17 GLU H H 17 8.683 7.492 1.191 1
1 107 . 1 1 1 A 17 17 GLU CA C 17 57.922 56.569 1.353 1
1 108 . 1 1 1 A 17 17 GLU HA H 17 4.295 4.397 -0.102 1
1 109 . 1 1 1 A 17 17 GLU CB C 17 29.778 31.937 -2.159 1
1 115 . 1 1 1 A 17 17 GLU C C 17 177.066 177.532 -0.466 1
1 116 . 1 1 1 A 18 18 CYS N N 18 115.033 114.770 0.263 1
1 117 . 1 1 1 A 18 18 CYS H H 18 7.942 7.516 0.426 1
1 118 . 1 1 1 A 18 18 CYS CA C 18 58.453 59.377 -0.924 1
1 119 . 1 1 1 A 18 18 CYS HA H 18 5.187 4.671 0.516 1
1 120 . 1 1 1 A 18 18 CYS CB C 18 32.524 30.311 2.213 1
1 123 . 1 1 1 A 18 18 CYS C C 18 176.135 175.773 0.362 1
1 124 . 1 1 1 A 19 19 GLY N N 19 112.484 109.834 2.650 1
1 125 . 1 1 1 A 19 19 GLY H H 19 8.139 8.403 -0.264 1
1 126 . 1 1 1 A 19 19 GLY CA C 19 46.297 45.568 0.729 1
1 127 . 1 1 1 A 19 19 GLY HA2 H 19 4.269 4.055 0.214 1
1 128 . 1 1 1 A 19 19 GLY HA3 H 19 3.800 4.063 -0.263 1
1 129 . 1 1 1 A 19 19 GLY C C 19 174.065 174.189 -0.124 1
1 130 . 1 1 1 A 20 20 LYS N N 20 123.711 120.021 3.690 1
1 131 . 1 1 1 A 20 20 LYS H H 20 8.048 7.909 0.139 1
1 132 . 1 1 1 A 20 20 LYS CA C 20 58.446 55.055 3.391 1
1 133 . 1 1 1 A 20 20 LYS HA H 20 4.045 4.379 -0.334 1
1 134 . 1 1 1 A 20 20 LYS CB C 20 33.391 34.335 -0.944 1
1 146 . 1 1 1 A 20 20 LYS C C 20 174.750 175.446 -0.696 1
1 147 . 1 1 1 A 21 21 SER N N 21 114.286 119.595 -5.309 1
1 148 . 1 1 1 A 21 21 SER H H 21 7.863 8.727 -0.864 1
1 149 . 1 1 1 A 21 21 SER CA C 21 56.933 56.396 0.537 1
1 150 . 1 1 1 A 21 21 SER HA H 21 5.398 5.234 0.164 1
1 151 . 1 1 1 A 21 21 SER CB C 21 66.461 65.369 1.092 1
1 154 . 1 1 1 A 21 21 SER C C 21 172.635 173.246 -0.611 1
1 155 . 1 1 1 A 22 22 TYR N N 22 117.528 118.694 -1.166 1
1 156 . 1 1 1 A 22 22 TYR H H 22 8.774 8.283 0.491 1
1 157 . 1 1 1 A 22 22 TYR CA C 22 58.061 56.637 1.424 1
1 158 . 1 1 1 A 22 22 TYR HA H 22 4.750 5.003 -0.253 1
1 159 . 1 1 1 A 22 22 TYR CB C 22 44.125 41.897 2.228 1
1 170 . 1 1 1 A 22 22 TYR C C 22 174.955 176.241 -1.286 1
1 171 . 1 1 1 A 23 23 ASN N N 23 118.657 122.353 -3.696 1
1 172 . 1 1 1 A 23 23 ASN H H 23 9.444 9.080 0.364 1
1 173 . 1 1 1 A 23 23 ASN CA C 23 54.765 56.228 -1.463 1
1 174 . 1 1 1 A 23 23 ASN HA H 23 5.029 4.581 0.448 1
1 175 . 1 1 1 A 23 23 ASN CB C 23 40.282 37.853 2.429 1
1 181 . 1 1 1 A 23 23 ASN C C 23 175.004 176.053 -1.049 1
1 182 . 1 1 1 A 24 24 GLN N N 24 114.619 118.436 -3.817 1
1 183 . 1 1 1 A 24 24 GLN H H 24 7.579 8.273 -0.694 1
1 184 . 1 1 1 A 24 24 GLN CA C 24 54.151 54.519 -0.368 1
1 185 . 1 1 1 A 24 24 GLN HA H 24 4.692 5.008 -0.316 1
1 186 . 1 1 1 A 24 24 GLN CB C 24 31.829 30.430 1.399 1
1 195 . 1 1 1 A 24 24 GLN C C 24 175.731 176.465 -0.734 1
1 196 . 1 1 1 A 25 25 ARG N N 25 127.274 120.554 6.720 1
1 197 . 1 1 1 A 25 25 ARG H H 25 8.350 8.687 -0.337 1
1 198 . 1 1 1 A 25 25 ARG CA C 25 59.687 57.618 2.069 1
1 199 . 1 1 1 A 25 25 ARG HA H 25 2.879 3.374 -0.495 1
1 200 . 1 1 1 A 25 25 ARG CB C 25 29.082 29.635 -0.553 1
1 209 . 1 1 1 A 25 25 ARG C C 25 178.363 178.159 0.204 1
1 210 . 1 1 1 A 26 26 VAL N N 26 115.093 119.260 -4.167 1
1 211 . 1 1 1 A 26 26 VAL H H 26 8.274 7.738 0.536 1
1 212 . 1 1 1 A 26 26 VAL CA C 26 64.611 64.495 0.116 1
1 213 . 1 1 1 A 26 26 VAL HA H 26 3.908 3.751 0.157 1
1 214 . 1 1 1 A 26 26 VAL CB C 26 31.070 31.554 -0.484 1
1 224 . 1 1 1 A 26 26 VAL C C 26 176.893 176.857 0.036 1
1 225 . 1 1 1 A 27 27 HIS N N 27 119.161 118.632 0.529 1
1 226 . 1 1 1 A 27 27 HIS H H 27 6.525 7.599 -1.074 1
1 227 . 1 1 1 A 27 27 HIS CA C 27 57.177 58.141 -0.964 1
1 228 . 1 1 1 A 27 27 HIS HA H 27 4.387 4.256 0.131 1
1 229 . 1 1 1 A 27 27 HIS CB C 27 31.423 30.090 1.333 1
1 236 . 1 1 1 A 27 27 HIS C C 27 178.508 176.246 2.262 1
1 237 . 1 1 1 A 28 28 LEU N N 28 121.662 121.897 -0.235 1
1 238 . 1 1 1 A 28 28 LEU H H 28 7.064 7.849 -0.785 1
1 239 . 1 1 1 A 28 28 LEU CA C 28 58.041 57.502 0.539 1
1 240 . 1 1 1 A 28 28 LEU HA H 28 3.807 3.858 -0.051 1
1 241 . 1 1 1 A 28 28 LEU CB C 28 40.232 42.495 -2.263 1
1 254 . 1 1 1 A 28 28 LEU C C 28 177.776 177.999 -0.223 1
1 255 . 1 1 1 A 29 29 THR N N 29 116.331 114.183 2.148 1
1 256 . 1 1 1 A 29 29 THR H H 29 8.606 7.897 0.709 1
1 257 . 1 1 1 A 29 29 THR CA C 29 66.300 65.294 1.006 1
1 258 . 1 1 1 A 29 29 THR HA H 29 4.009 3.937 0.072 1
1 259 . 1 1 1 A 29 29 THR CB C 29 68.317 68.958 -0.641 1
1 265 . 1 1 1 A 29 29 THR C C 29 177.336 176.612 0.724 1
1 266 . 1 1 1 A 30 30 GLN N N 30 119.465 120.261 -0.796 1
1 267 . 1 1 1 A 30 30 GLN H H 30 7.838 7.809 0.029 1
1 268 . 1 1 1 A 30 30 GLN CA C 30 58.851 57.939 0.912 1
1 269 . 1 1 1 A 30 30 GLN HA H 30 3.969 4.174 -0.205 1
1 270 . 1 1 1 A 30 30 GLN CB C 30 28.349 28.843 -0.494 1
1 279 . 1 1 1 A 30 30 GLN C C 30 178.722 177.827 0.895 1
1 280 . 1 1 1 A 31 31 HIS N N 31 119.993 121.412 -1.419 1
1 281 . 1 1 1 A 31 31 HIS H H 31 7.664 8.042 -0.378 1
1 282 . 1 1 1 A 31 31 HIS CA C 31 59.107 59.092 0.015 1
1 283 . 1 1 1 A 31 31 HIS HA H 31 4.287 4.124 0.163 1
1 284 . 1 1 1 A 31 31 HIS CB C 31 28.026 29.992 -1.966 1
1 291 . 1 1 1 A 31 31 HIS C C 31 176.251 177.143 -0.892 1
1 292 . 1 1 1 A 32 32 GLN N N 32 115.117 118.292 -3.175 1
1 293 . 1 1 1 A 32 32 GLN H H 32 8.424 8.333 0.091 1
1 294 . 1 1 1 A 32 32 GLN CA C 32 59.472 58.107 1.365 1
1 295 . 1 1 1 A 32 32 GLN HA H 32 3.613 3.804 -0.191 1
1 296 . 1 1 1 A 32 32 GLN CB C 32 28.286 28.413 -0.127 1
1 305 . 1 1 1 A 32 32 GLN C C 32 177.186 178.616 -1.430 1
1 306 . 1 1 1 A 33 33 ARG N N 33 117.852 119.585 -1.733 1
1 307 . 1 1 1 A 33 33 ARG H H 33 7.105 7.934 -0.829 1
1 308 . 1 1 1 A 33 33 ARG CA C 33 58.492 59.112 -0.620 1
1 309 . 1 1 1 A 33 33 ARG HA H 33 4.149 4.050 0.099 1
1 310 . 1 1 1 A 33 33 ARG CB C 33 30.080 30.080 0.000 1
1 319 . 1 1 1 A 33 33 ARG C C 33 178.535 178.874 -0.339 1
1 320 . 1 1 1 A 34 34 VAL N N 34 115.844 116.348 -0.504 1
1 321 . 1 1 1 A 34 34 VAL H H 34 7.971 7.274 0.697 1
1 322 . 1 1 1 A 34 34 VAL CA C 34 63.982 64.654 -0.672 1
1 323 . 1 1 1 A 34 34 VAL HA H 34 3.936 3.849 0.087 1
1 324 . 1 1 1 A 34 34 VAL CB C 34 31.159 31.212 -0.053 1
1 334 . 1 1 1 A 34 34 VAL C C 34 177.254 176.320 0.934 1
1 335 . 1 1 1 A 35 35 HIS N N 35 117.345 119.412 -2.067 1
1 336 . 1 1 1 A 35 35 HIS H H 35 7.225 7.823 -0.598 1
1 337 . 1 1 1 A 35 35 HIS CA C 35 55.058 55.748 -0.690 1
1 338 . 1 1 1 A 35 35 HIS HA H 35 4.895 4.669 0.226 1
1 339 . 1 1 1 A 35 35 HIS CB C 35 28.620 30.297 -1.677 1
1 346 . 1 1 1 A 35 35 HIS C C 35 175.716 174.536 1.180 1
1 347 . 1 1 1 A 36 36 THR N N 36 111.842 109.383 2.459 1
1 348 . 1 1 1 A 36 36 THR H H 36 7.775 7.573 0.202 1
1 349 . 1 1 1 A 36 36 THR CA C 36 62.514 60.454 2.060 1
1 350 . 1 1 1 A 36 36 THR HA H 36 4.374 4.772 -0.398 1
1 351 . 1 1 1 A 36 36 THR CB C 36 69.853 71.334 -1.481 1
1 357 . 1 1 1 A 36 36 THR C C 36 175.509 173.221 2.288 1
1 358 . 1 1 1 A 37 37 GLY N N 37 110.650 109.472 1.178 1
1 359 . 1 1 1 A 37 37 GLY H H 37 8.235 8.285 -0.050 1
1 360 . 1 1 1 A 37 37 GLY CA C 37 45.420 45.404 0.016 1
1 361 . 1 1 1 A 37 37 GLY HA2 H 37 3.960 3.998 -0.038 1
1 362 . 1 1 1 A 37 37 GLY HA3 H 37 4.040 4.003 0.037 1
1 363 . 1 1 1 A 37 37 GLY C C 37 173.979 174.433 -0.454 1
1 364 . 1 1 1 A 38 38 GLU N N 38 120.601 120.165 0.436 1
1 365 . 1 1 1 A 38 38 GLU H H 38 8.101 8.023 0.078 1
1 366 . 1 1 1 A 38 38 GLU CA C 38 56.476 55.891 0.585 1
1 367 . 1 1 1 A 38 38 GLU HA H 38 4.255 4.395 -0.140 1
1 368 . 1 1 1 A 38 38 GLU CB C 38 30.561 30.503 0.058 1
1 374 . 1 1 1 A 38 38 GLU C C 38 176.212 176.257 -0.045 1
1 375 . 1 1 1 A 39 39 LYS N N 39 123.814 117.950 5.864 1
1 376 . 1 1 1 A 39 39 LYS H H 39 8.413 8.854 -0.441 1
1 377 . 1 1 1 A 39 39 LYS CA C 39 54.245 53.291 0.954 1
1 378 . 1 1 1 A 39 39 LYS HA H 39 4.618 4.907 -0.289 1
1 379 . 1 1 1 A 39 39 LYS CB C 39 32.519 35.612 -3.093 1
1 391 . 1 1 1 A 39 39 LYS C C 39 174.467 175.854 -1.387 1
1 392 . 1 1 1 A 40 40 PRO CA C 40 63.219 64.532 -1.313 1
1 393 . 1 1 1 A 40 40 PRO HA H 40 4.467 4.438 0.029 1
1 394 . 1 1 1 A 40 40 PRO CB C 40 32.203 31.871 0.332 1
1 403 . 1 1 1 A 40 40 PRO C C 40 173.930 178.006 -4.076 1
1 404 . 1 1 1 A 41 41 SER N N 41 116.519 112.620 3.899 1
1 405 . 1 1 1 A 41 41 SER H H 41 8.488 8.133 0.355 1
1 406 . 1 1 1 A 41 41 SER C C 41 178.949 175.706 3.243 1
1 407 . 1 1 1 A 42 42 GLY CA C 42 44.689 44.543 0.146 1
1 408 . 1 1 1 A 42 42 GLY HA2 H 42 4.119 4.114 0.005 1
1 409 . 1 1 1 A 42 42 GLY HA3 H 42 4.173 4.114 0.059 1
1 410 . 1 1 1 A 43 43 PRO CA C 43 63.267 62.303 0.964 1
1 411 . 1 1 1 A 43 43 PRO HA H 43 4.485 4.761 -0.276 1
1 412 . 1 1 1 A 43 43 PRO CB C 43 32.227 29.456 2.771 1
1 421 . 1 1 1 A 45 45 SER CA C 45 58.370 58.164 0.206 1
1 422 . 1 1 1 A 45 45 SER HA H 45 4.495 4.627 -0.132 1
1 423 . 1 1 1 A 45 45 SER CB C 45 64.018 63.522 0.496 1
1 425 . 1 1 1 A 45 45 SER C C 45 173.890 173.937 -0.047 1
1 1 . 2 1 1 A 8 8 THR CA C 8 61.919 63.104 -1.185 1
1 2 . 2 1 1 A 8 8 THR HA H 8 4.367 4.121 0.246 1
1 3 . 2 1 1 A 8 8 THR CB C 8 69.796 68.130 1.666 1
1 9 . 2 1 1 A 8 8 THR C C 8 175.193 174.439 0.754 1
1 10 . 2 1 1 A 9 9 GLY N N 9 111.079 113.271 -2.192 1
1 11 . 2 1 1 A 9 9 GLY H H 9 8.450 8.547 -0.097 1
1 12 . 2 1 1 A 9 9 GLY CA C 9 45.243 45.358 -0.115 1
1 13 . 2 1 1 A 9 9 GLY HA2 H 9 3.956 4.016 -0.060 1
1 14 . 2 1 1 A 9 9 GLY HA3 H 9 3.956 4.017 -0.061 1
1 15 . 2 1 1 A 9 9 GLY C C 9 173.979 173.582 0.397 1
1 16 . 2 1 1 A 10 10 GLU N N 10 120.501 119.562 0.939 1
1 17 . 2 1 1 A 10 10 GLU H H 10 8.192 8.476 -0.284 1
1 18 . 2 1 1 A 10 10 GLU CA C 10 56.560 55.948 0.612 1
1 19 . 2 1 1 A 10 10 GLU HA H 10 4.198 4.202 -0.004 1
1 20 . 2 1 1 A 10 10 GLU CB C 10 30.474 29.989 0.485 1
1 26 . 2 1 1 A 10 10 GLU C C 10 176.188 175.928 0.260 1
1 27 . 2 1 1 A 11 11 LYS N N 11 122.926 120.480 2.446 1
1 28 . 2 1 1 A 11 11 LYS H H 11 8.346 8.284 0.062 1
1 29 . 2 1 1 A 11 11 LYS CA C 11 54.399 52.774 1.625 1
1 30 . 2 1 1 A 11 11 LYS HA H 11 4.447 4.748 -0.301 1
1 31 . 2 1 1 A 11 11 LYS CB C 11 32.473 33.811 -1.338 1
1 43 . 2 1 1 A 11 11 LYS C C 11 174.709 176.138 -1.429 1
1 44 . 2 1 1 A 12 12 PRO CA C 12 64.071 64.165 -0.094 1
1 45 . 2 1 1 A 12 12 PRO HA H 12 4.194 4.262 -0.068 1
1 46 . 2 1 1 A 12 12 PRO CB C 12 32.233 31.502 0.731 1
1 55 . 2 1 1 A 12 12 PRO C C 12 176.563 175.843 0.720 1
1 56 . 2 1 1 A 13 13 PHE N N 13 117.437 118.189 -0.752 1
1 57 . 2 1 1 A 13 13 PHE H H 13 7.906 7.375 0.531 1
1 58 . 2 1 1 A 13 13 PHE CA C 13 57.216 56.339 0.877 1
1 59 . 2 1 1 A 13 13 PHE HA H 13 4.733 5.343 -0.610 1
1 60 . 2 1 1 A 13 13 PHE CB C 13 38.760 42.505 -3.745 1
1 73 . 2 1 1 A 13 13 PHE C C 13 174.019 174.390 -0.371 1
1 74 . 2 1 1 A 14 14 LYS N N 14 125.906 120.484 5.422 1
1 75 . 2 1 1 A 14 14 LYS H H 14 8.558 8.795 -0.237 1
1 76 . 2 1 1 A 14 14 LYS CA C 14 55.253 55.949 -0.696 1
1 77 . 2 1 1 A 14 14 LYS HA H 14 4.753 4.798 -0.045 1
1 78 . 2 1 1 A 14 14 LYS CB C 14 35.471 36.890 -1.419 1
1 90 . 2 1 1 A 14 14 LYS C C 14 175.156 174.401 0.755 1
1 91 . 2 1 1 A 15 15 CYS N N 15 128.017 124.239 3.778 1
1 92 . 2 1 1 A 15 15 CYS H H 15 9.322 8.849 0.473 1
1 93 . 2 1 1 A 15 15 CYS CA C 15 59.976 57.981 1.995 1
1 94 . 2 1 1 A 15 15 CYS HA H 15 4.451 4.837 -0.386 1
1 95 . 2 1 1 A 15 15 CYS CB C 15 29.411 28.488 0.923 1
1 98 . 2 1 1 A 15 15 CYS C C 15 177.343 176.124 1.219 1
1 99 . 2 1 1 A 16 16 GLY N N 16 120.643 115.066 5.577 1
1 100 . 2 1 1 A 16 16 GLY H H 16 9.425 8.803 0.622 1
1 101 . 2 1 1 A 16 16 GLY CA C 16 46.692 46.465 0.227 1
1 102 . 2 1 1 A 16 16 GLY HA2 H 16 3.969 3.915 0.054 1
1 103 . 2 1 1 A 16 16 GLY HA3 H 16 4.034 3.916 0.118 1
1 104 . 2 1 1 A 16 16 GLY C C 16 174.008 173.944 0.064 1
1 105 . 2 1 1 A 17 17 GLU N N 17 121.284 117.170 4.114 1
1 106 . 2 1 1 A 17 17 GLU H H 17 8.683 7.565 1.118 1
1 107 . 2 1 1 A 17 17 GLU CA C 17 57.922 56.867 1.055 1
1 108 . 2 1 1 A 17 17 GLU HA H 17 4.295 4.432 -0.137 1
1 109 . 2 1 1 A 17 17 GLU CB C 17 29.778 32.102 -2.324 1
1 115 . 2 1 1 A 17 17 GLU C C 17 177.066 177.786 -0.720 1
1 116 . 2 1 1 A 18 18 CYS N N 18 115.033 114.565 0.468 1
1 117 . 2 1 1 A 18 18 CYS H H 18 7.942 7.596 0.346 1
1 118 . 2 1 1 A 18 18 CYS CA C 18 58.453 59.442 -0.989 1
1 119 . 2 1 1 A 18 18 CYS HA H 18 5.187 4.627 0.560 1
1 120 . 2 1 1 A 18 18 CYS CB C 18 32.524 30.016 2.508 1
1 123 . 2 1 1 A 18 18 CYS C C 18 176.135 175.592 0.543 1
1 124 . 2 1 1 A 19 19 GLY N N 19 112.484 109.822 2.662 1
1 125 . 2 1 1 A 19 19 GLY H H 19 8.139 8.115 0.024 1
1 126 . 2 1 1 A 19 19 GLY CA C 19 46.297 45.224 1.073 1
1 127 . 2 1 1 A 19 19 GLY HA2 H 19 4.269 4.088 0.181 1
1 128 . 2 1 1 A 19 19 GLY HA3 H 19 3.800 4.101 -0.301 1
1 129 . 2 1 1 A 19 19 GLY C C 19 174.065 174.312 -0.247 1
1 130 . 2 1 1 A 20 20 LYS N N 20 123.711 120.011 3.700 1
1 131 . 2 1 1 A 20 20 LYS H H 20 8.048 7.971 0.077 1
1 132 . 2 1 1 A 20 20 LYS CA C 20 58.446 55.199 3.247 1
1 133 . 2 1 1 A 20 20 LYS HA H 20 4.045 4.381 -0.336 1
1 134 . 2 1 1 A 20 20 LYS CB C 20 33.391 33.002 0.389 1
1 146 . 2 1 1 A 20 20 LYS C C 20 174.750 175.502 -0.752 1
1 147 . 2 1 1 A 21 21 SER N N 21 114.286 122.550 -8.264 1
1 148 . 2 1 1 A 21 21 SER H H 21 7.863 8.769 -0.906 1
1 149 . 2 1 1 A 21 21 SER CA C 21 56.933 57.867 -0.934 1
1 150 . 2 1 1 A 21 21 SER HA H 21 5.398 5.180 0.218 1
1 151 . 2 1 1 A 21 21 SER CB C 21 66.461 64.748 1.713 1
1 154 . 2 1 1 A 21 21 SER C C 21 172.635 172.872 -0.237 1
1 155 . 2 1 1 A 22 22 TYR N N 22 117.528 122.268 -4.740 1
1 156 . 2 1 1 A 22 22 TYR H H 22 8.774 8.652 0.122 1
1 157 . 2 1 1 A 22 22 TYR CA C 22 58.061 56.672 1.389 1
1 158 . 2 1 1 A 22 22 TYR HA H 22 4.750 4.987 -0.237 1
1 159 . 2 1 1 A 22 22 TYR CB C 22 44.125 43.234 0.891 1
1 170 . 2 1 1 A 22 22 TYR C C 22 174.955 176.085 -1.130 1
1 171 . 2 1 1 A 23 23 ASN N N 23 118.657 119.341 -0.684 1
1 172 . 2 1 1 A 23 23 ASN H H 23 9.444 9.262 0.182 1
1 173 . 2 1 1 A 23 23 ASN CA C 23 54.765 55.406 -0.641 1
1 174 . 2 1 1 A 23 23 ASN HA H 23 5.029 4.734 0.295 1
1 175 . 2 1 1 A 23 23 ASN CB C 23 40.282 38.845 1.437 1
1 181 . 2 1 1 A 23 23 ASN C C 23 175.004 175.507 -0.503 1
1 182 . 2 1 1 A 24 24 GLN N N 24 114.619 118.825 -4.206 1
1 183 . 2 1 1 A 24 24 GLN H H 24 7.579 8.155 -0.576 1
1 184 . 2 1 1 A 24 24 GLN CA C 24 54.151 54.846 -0.695 1
1 185 . 2 1 1 A 24 24 GLN HA H 24 4.692 5.012 -0.320 1
1 186 . 2 1 1 A 24 24 GLN CB C 24 31.829 30.871 0.958 1
1 195 . 2 1 1 A 24 24 GLN C C 24 175.731 176.440 -0.709 1
1 196 . 2 1 1 A 25 25 ARG N N 25 127.274 121.927 5.347 1
1 197 . 2 1 1 A 25 25 ARG H H 25 8.350 8.923 -0.573 1
1 198 . 2 1 1 A 25 25 ARG CA C 25 59.687 58.538 1.149 1
1 199 . 2 1 1 A 25 25 ARG HA H 25 2.879 3.507 -0.628 1
1 200 . 2 1 1 A 25 25 ARG CB C 25 29.082 29.263 -0.181 1
1 209 . 2 1 1 A 25 25 ARG C C 25 178.363 178.149 0.214 1
1 210 . 2 1 1 A 26 26 VAL N N 26 115.093 118.860 -3.767 1
1 211 . 2 1 1 A 26 26 VAL H H 26 8.274 7.977 0.297 1
1 212 . 2 1 1 A 26 26 VAL CA C 26 64.611 64.411 0.200 1
1 213 . 2 1 1 A 26 26 VAL HA H 26 3.908 3.754 0.154 1
1 214 . 2 1 1 A 26 26 VAL CB C 26 31.070 31.367 -0.297 1
1 224 . 2 1 1 A 26 26 VAL C C 26 176.893 176.850 0.043 1
1 225 . 2 1 1 A 27 27 HIS N N 27 119.161 117.475 1.686 1
1 226 . 2 1 1 A 27 27 HIS H H 27 6.525 7.519 -0.994 1
1 227 . 2 1 1 A 27 27 HIS CA C 27 57.177 58.808 -1.631 1
1 228 . 2 1 1 A 27 27 HIS HA H 27 4.387 4.387 0.000 1
1 229 . 2 1 1 A 27 27 HIS CB C 27 31.423 30.872 0.551 1
1 236 . 2 1 1 A 27 27 HIS C C 27 178.508 177.123 1.385 1
1 237 . 2 1 1 A 28 28 LEU N N 28 121.662 121.554 0.108 1
1 238 . 2 1 1 A 28 28 LEU H H 28 7.064 7.856 -0.792 1
1 239 . 2 1 1 A 28 28 LEU CA C 28 58.041 57.583 0.458 1
1 240 . 2 1 1 A 28 28 LEU HA H 28 3.807 3.429 0.378 1
1 241 . 2 1 1 A 28 28 LEU CB C 28 40.232 41.748 -1.516 1
1 254 . 2 1 1 A 28 28 LEU C C 28 177.776 178.141 -0.365 1
1 255 . 2 1 1 A 29 29 THR N N 29 116.331 114.076 2.255 1
1 256 . 2 1 1 A 29 29 THR H H 29 8.606 8.160 0.446 1
1 257 . 2 1 1 A 29 29 THR CA C 29 66.300 65.273 1.027 1
1 258 . 2 1 1 A 29 29 THR HA H 29 4.009 3.751 0.258 1
1 259 . 2 1 1 A 29 29 THR CB C 29 68.317 69.011 -0.694 1
1 265 . 2 1 1 A 29 29 THR C C 29 177.336 176.869 0.467 1
1 266 . 2 1 1 A 30 30 GLN N N 30 119.465 120.057 -0.592 1
1 267 . 2 1 1 A 30 30 GLN H H 30 7.838 7.906 -0.068 1
1 268 . 2 1 1 A 30 30 GLN CA C 30 58.851 58.898 -0.047 1
1 269 . 2 1 1 A 30 30 GLN HA H 30 3.969 3.990 -0.021 1
1 270 . 2 1 1 A 30 30 GLN CB C 30 28.349 27.935 0.414 1
1 279 . 2 1 1 A 30 30 GLN C C 30 178.722 178.089 0.633 1
1 280 . 2 1 1 A 31 31 HIS N N 31 119.993 120.929 -0.936 1
1 281 . 2 1 1 A 31 31 HIS H H 31 7.664 8.064 -0.400 1
1 282 . 2 1 1 A 31 31 HIS CA C 31 59.107 59.520 -0.413 1
1 283 . 2 1 1 A 31 31 HIS HA H 31 4.287 4.181 0.106 1
1 284 . 2 1 1 A 31 31 HIS CB C 31 28.026 29.796 -1.770 1
1 291 . 2 1 1 A 31 31 HIS C C 31 176.251 177.353 -1.102 1
1 292 . 2 1 1 A 32 32 GLN N N 32 115.117 117.320 -2.203 1
1 293 . 2 1 1 A 32 32 GLN H H 32 8.424 8.303 0.121 1
1 294 . 2 1 1 A 32 32 GLN CA C 32 59.472 58.890 0.582 1
1 295 . 2 1 1 A 32 32 GLN HA H 32 3.613 3.668 -0.055 1
1 296 . 2 1 1 A 32 32 GLN CB C 32 28.286 28.218 0.068 1
1 305 . 2 1 1 A 32 32 GLN C C 32 177.186 178.543 -1.357 1
1 306 . 2 1 1 A 33 33 ARG N N 33 117.852 120.455 -2.603 1
1 307 . 2 1 1 A 33 33 ARG H H 33 7.105 7.995 -0.890 1
1 308 . 2 1 1 A 33 33 ARG CA C 33 58.492 58.964 -0.472 1
1 309 . 2 1 1 A 33 33 ARG HA H 33 4.149 4.136 0.013 1
1 310 . 2 1 1 A 33 33 ARG CB C 33 30.080 29.752 0.328 1
1 319 . 2 1 1 A 33 33 ARG C C 33 178.535 178.599 -0.064 1
1 320 . 2 1 1 A 34 34 VAL N N 34 115.844 116.786 -0.942 1
1 321 . 2 1 1 A 34 34 VAL H H 34 7.971 7.663 0.308 1
1 322 . 2 1 1 A 34 34 VAL CA C 34 63.982 65.173 -1.191 1
1 323 . 2 1 1 A 34 34 VAL HA H 34 3.936 3.729 0.207 1
1 324 . 2 1 1 A 34 34 VAL CB C 34 31.159 31.246 -0.087 1
1 334 . 2 1 1 A 34 34 VAL C C 34 177.254 177.204 0.050 1
1 335 . 2 1 1 A 35 35 HIS N N 35 117.345 119.310 -1.965 1
1 336 . 2 1 1 A 35 35 HIS H H 35 7.225 7.629 -0.404 1
1 337 . 2 1 1 A 35 35 HIS CA C 35 55.058 57.787 -2.729 1
1 338 . 2 1 1 A 35 35 HIS HA H 35 4.895 4.443 0.452 1
1 339 . 2 1 1 A 35 35 HIS CB C 35 28.620 31.168 -2.548 1
1 346 . 2 1 1 A 35 35 HIS C C 35 175.716 175.369 0.347 1
1 347 . 2 1 1 A 36 36 THR N N 36 111.842 111.779 0.063 1
1 348 . 2 1 1 A 36 36 THR H H 36 7.775 7.639 0.136 1
1 349 . 2 1 1 A 36 36 THR CA C 36 62.514 61.877 0.637 1
1 350 . 2 1 1 A 36 36 THR HA H 36 4.374 4.307 0.067 1
1 351 . 2 1 1 A 36 36 THR CB C 36 69.853 69.581 0.272 1
1 357 . 2 1 1 A 36 36 THR C C 36 175.509 174.629 0.880 1
1 358 . 2 1 1 A 37 37 GLY N N 37 110.650 109.142 1.508 1
1 359 . 2 1 1 A 37 37 GLY H H 37 8.235 8.241 -0.006 1
1 360 . 2 1 1 A 37 37 GLY CA C 37 45.420 46.026 -0.606 1
1 361 . 2 1 1 A 37 37 GLY HA2 H 37 3.960 4.145 -0.185 1
1 362 . 2 1 1 A 37 37 GLY HA3 H 37 4.040 4.148 -0.108 1
1 363 . 2 1 1 A 37 37 GLY C C 37 173.979 172.297 1.682 1
1 364 . 2 1 1 A 38 38 GLU N N 38 120.601 117.201 3.400 1
1 365 . 2 1 1 A 38 38 GLU H H 38 8.101 8.670 -0.569 1
1 366 . 2 1 1 A 38 38 GLU CA C 38 56.476 55.188 1.288 1
1 367 . 2 1 1 A 38 38 GLU HA H 38 4.255 5.193 -0.938 1
1 368 . 2 1 1 A 38 38 GLU CB C 38 30.561 32.260 -1.699 1
1 374 . 2 1 1 A 38 38 GLU C C 38 176.212 175.445 0.767 1
1 375 . 2 1 1 A 39 39 LYS N N 39 123.814 124.012 -0.198 1
1 376 . 2 1 1 A 39 39 LYS H H 39 8.413 8.444 -0.031 1
1 377 . 2 1 1 A 39 39 LYS CA C 39 54.245 53.054 1.191 1
1 378 . 2 1 1 A 39 39 LYS HA H 39 4.618 4.830 -0.212 1
1 379 . 2 1 1 A 39 39 LYS CB C 39 32.519 34.014 -1.495 1
1 391 . 2 1 1 A 39 39 LYS C C 39 174.467 176.080 -1.613 1
1 392 . 2 1 1 A 40 40 PRO CA C 40 63.219 64.662 -1.443 1
1 393 . 2 1 1 A 40 40 PRO HA H 40 4.467 4.461 0.006 1
1 394 . 2 1 1 A 40 40 PRO CB C 40 32.203 32.183 0.020 1
1 403 . 2 1 1 A 40 40 PRO C C 40 173.930 176.497 -2.567 1
1 404 . 2 1 1 A 41 41 SER N N 41 116.519 112.804 3.715 1
1 405 . 2 1 1 A 41 41 SER H H 41 8.488 7.597 0.891 1
1 406 . 2 1 1 A 41 41 SER C C 41 178.949 173.006 5.943 1
1 407 . 2 1 1 A 42 42 GLY CA C 42 44.689 44.032 0.657 1
1 408 . 2 1 1 A 42 42 GLY HA2 H 42 4.119 4.178 -0.059 1
1 409 . 2 1 1 A 42 42 GLY HA3 H 42 4.173 4.180 -0.007 1
1 410 . 2 1 1 A 43 43 PRO CA C 43 63.267 62.532 0.735 1
1 411 . 2 1 1 A 43 43 PRO HA H 43 4.485 4.728 -0.243 1
1 412 . 2 1 1 A 43 43 PRO CB C 43 32.227 30.221 2.006 1
1 421 . 2 1 1 A 45 45 SER CA C 45 58.370 58.888 -0.518 1
1 422 . 2 1 1 A 45 45 SER HA H 45 4.495 4.539 -0.044 1
1 423 . 2 1 1 A 45 45 SER CB C 45 64.018 63.664 0.354 1
1 425 . 2 1 1 A 45 45 SER C C 45 173.890 174.819 -0.929 1
1 1 . 3 1 1 A 8 8 THR CA C 8 61.919 63.403 -1.484 1
1 2 . 3 1 1 A 8 8 THR HA H 8 4.367 4.227 0.140 1
1 3 . 3 1 1 A 8 8 THR CB C 8 69.796 69.463 0.333 1
1 9 . 3 1 1 A 8 8 THR C C 8 175.193 175.097 0.096 1
1 10 . 3 1 1 A 9 9 GLY N N 9 111.079 108.503 2.576 1
1 11 . 3 1 1 A 9 9 GLY H H 9 8.450 7.293 1.157 1
1 12 . 3 1 1 A 9 9 GLY CA C 9 45.243 45.693 -0.450 1
1 13 . 3 1 1 A 9 9 GLY HA2 H 9 3.956 4.055 -0.099 1
1 14 . 3 1 1 A 9 9 GLY HA3 H 9 3.956 4.060 -0.104 1
1 15 . 3 1 1 A 9 9 GLY C C 9 173.979 172.502 1.477 1
1 16 . 3 1 1 A 10 10 GLU N N 10 120.501 125.287 -4.786 1
1 17 . 3 1 1 A 10 10 GLU H H 10 8.192 8.665 -0.473 1
1 18 . 3 1 1 A 10 10 GLU CA C 10 56.560 55.440 1.120 1
1 19 . 3 1 1 A 10 10 GLU HA H 10 4.198 4.542 -0.344 1
1 20 . 3 1 1 A 10 10 GLU CB C 10 30.474 28.503 1.971 1
1 26 . 3 1 1 A 10 10 GLU C C 10 176.188 174.857 1.331 1
1 27 . 3 1 1 A 11 11 LYS N N 11 122.926 124.644 -1.718 1
1 28 . 3 1 1 A 11 11 LYS H H 11 8.346 7.798 0.548 1
1 29 . 3 1 1 A 11 11 LYS CA C 11 54.399 53.203 1.196 1
1 30 . 3 1 1 A 11 11 LYS HA H 11 4.447 4.681 -0.234 1
1 31 . 3 1 1 A 11 11 LYS CB C 11 32.473 32.606 -0.133 1
1 43 . 3 1 1 A 11 11 LYS C C 11 174.709 176.237 -1.528 1
1 44 . 3 1 1 A 12 12 PRO CA C 12 64.071 64.000 0.071 1
1 45 . 3 1 1 A 12 12 PRO HA H 12 4.194 4.237 -0.043 1
1 46 . 3 1 1 A 12 12 PRO CB C 12 32.233 31.262 0.971 1
1 55 . 3 1 1 A 12 12 PRO C C 12 176.563 175.679 0.884 1
1 56 . 3 1 1 A 13 13 PHE N N 13 117.437 118.146 -0.709 1
1 57 . 3 1 1 A 13 13 PHE H H 13 7.906 7.365 0.541 1
1 58 . 3 1 1 A 13 13 PHE CA C 13 57.216 56.439 0.777 1
1 59 . 3 1 1 A 13 13 PHE HA H 13 4.733 5.314 -0.581 1
1 60 . 3 1 1 A 13 13 PHE CB C 13 38.760 43.287 -4.527 1
1 73 . 3 1 1 A 13 13 PHE C C 13 174.019 174.245 -0.226 1
1 74 . 3 1 1 A 14 14 LYS N N 14 125.906 121.148 4.758 1
1 75 . 3 1 1 A 14 14 LYS H H 14 8.558 8.789 -0.231 1
1 76 . 3 1 1 A 14 14 LYS CA C 14 55.253 55.811 -0.558 1
1 77 . 3 1 1 A 14 14 LYS HA H 14 4.753 4.821 -0.068 1
1 78 . 3 1 1 A 14 14 LYS CB C 14 35.471 36.883 -1.412 1
1 90 . 3 1 1 A 14 14 LYS C C 14 175.156 174.391 0.765 1
1 91 . 3 1 1 A 15 15 CYS N N 15 128.017 123.971 4.046 1
1 92 . 3 1 1 A 15 15 CYS H H 15 9.322 8.701 0.621 1
1 93 . 3 1 1 A 15 15 CYS CA C 15 59.976 57.952 2.024 1
1 94 . 3 1 1 A 15 15 CYS HA H 15 4.451 4.846 -0.395 1
1 95 . 3 1 1 A 15 15 CYS CB C 15 29.411 28.726 0.685 1
1 98 . 3 1 1 A 15 15 CYS C C 15 177.343 176.076 1.267 1
1 99 . 3 1 1 A 16 16 GLY N N 16 120.643 114.915 5.728 1
1 100 . 3 1 1 A 16 16 GLY H H 16 9.425 8.828 0.597 1
1 101 . 3 1 1 A 16 16 GLY CA C 16 46.692 46.620 0.072 1
1 102 . 3 1 1 A 16 16 GLY HA2 H 16 3.969 3.894 0.075 1
1 103 . 3 1 1 A 16 16 GLY HA3 H 16 4.034 3.894 0.140 1
1 104 . 3 1 1 A 16 16 GLY C C 16 174.008 173.835 0.173 1
1 105 . 3 1 1 A 17 17 GLU N N 17 121.284 117.078 4.206 1
1 106 . 3 1 1 A 17 17 GLU H H 17 8.683 7.823 0.860 1
1 107 . 3 1 1 A 17 17 GLU CA C 17 57.922 57.183 0.739 1
1 108 . 3 1 1 A 17 17 GLU HA H 17 4.295 4.468 -0.173 1
1 109 . 3 1 1 A 17 17 GLU CB C 17 29.778 31.692 -1.914 1
1 115 . 3 1 1 A 17 17 GLU C C 17 177.066 177.446 -0.380 1
1 116 . 3 1 1 A 18 18 CYS N N 18 115.033 114.792 0.241 1
1 117 . 3 1 1 A 18 18 CYS H H 18 7.942 7.632 0.310 1
1 118 . 3 1 1 A 18 18 CYS CA C 18 58.453 59.644 -1.191 1
1 119 . 3 1 1 A 18 18 CYS HA H 18 5.187 4.575 0.612 1
1 120 . 3 1 1 A 18 18 CYS CB C 18 32.524 29.580 2.944 1
1 123 . 3 1 1 A 18 18 CYS C C 18 176.135 175.311 0.824 1
1 124 . 3 1 1 A 19 19 GLY N N 19 112.484 109.825 2.659 1
1 125 . 3 1 1 A 19 19 GLY H H 19 8.139 8.122 0.017 1
1 126 . 3 1 1 A 19 19 GLY CA C 19 46.297 45.364 0.933 1
1 127 . 3 1 1 A 19 19 GLY HA2 H 19 4.269 4.069 0.200 1
1 128 . 3 1 1 A 19 19 GLY HA3 H 19 3.800 4.078 -0.278 1
1 129 . 3 1 1 A 19 19 GLY C C 19 174.065 174.192 -0.127 1
1 130 . 3 1 1 A 20 20 LYS N N 20 123.711 120.149 3.562 1
1 131 . 3 1 1 A 20 20 LYS H H 20 8.048 7.901 0.147 1
1 132 . 3 1 1 A 20 20 LYS CA C 20 58.446 54.759 3.687 1
1 133 . 3 1 1 A 20 20 LYS HA H 20 4.045 4.521 -0.476 1
1 134 . 3 1 1 A 20 20 LYS CB C 20 33.391 34.625 -1.234 1
1 146 . 3 1 1 A 20 20 LYS C C 20 174.750 175.064 -0.314 1
1 147 . 3 1 1 A 21 21 SER N N 21 114.286 118.765 -4.479 1
1 148 . 3 1 1 A 21 21 SER H H 21 7.863 8.759 -0.896 1
1 149 . 3 1 1 A 21 21 SER CA C 21 56.933 56.138 0.795 1
1 150 . 3 1 1 A 21 21 SER HA H 21 5.398 5.525 -0.127 1
1 151 . 3 1 1 A 21 21 SER CB C 21 66.461 66.050 0.411 1
1 154 . 3 1 1 A 21 21 SER C C 21 172.635 173.168 -0.533 1
1 155 . 3 1 1 A 22 22 TYR N N 22 117.528 118.260 -0.732 1
1 156 . 3 1 1 A 22 22 TYR H H 22 8.774 8.187 0.587 1
1 157 . 3 1 1 A 22 22 TYR CA C 22 58.061 56.947 1.114 1
1 158 . 3 1 1 A 22 22 TYR HA H 22 4.750 4.964 -0.214 1
1 159 . 3 1 1 A 22 22 TYR CB C 22 44.125 43.429 0.696 1
1 170 . 3 1 1 A 22 22 TYR C C 22 174.955 176.079 -1.124 1
1 171 . 3 1 1 A 23 23 ASN N N 23 118.657 119.599 -0.942 1
1 172 . 3 1 1 A 23 23 ASN H H 23 9.444 8.939 0.505 1
1 173 . 3 1 1 A 23 23 ASN CA C 23 54.765 55.575 -0.810 1
1 174 . 3 1 1 A 23 23 ASN HA H 23 5.029 4.740 0.289 1
1 175 . 3 1 1 A 23 23 ASN CB C 23 40.282 40.424 -0.142 1
1 181 . 3 1 1 A 23 23 ASN C C 23 175.004 175.946 -0.942 1
1 182 . 3 1 1 A 24 24 GLN N N 24 114.619 117.397 -2.778 1
1 183 . 3 1 1 A 24 24 GLN H H 24 7.579 7.996 -0.417 1
1 184 . 3 1 1 A 24 24 GLN CA C 24 54.151 54.726 -0.575 1
1 185 . 3 1 1 A 24 24 GLN HA H 24 4.692 4.981 -0.289 1
1 186 . 3 1 1 A 24 24 GLN CB C 24 31.829 30.562 1.267 1
1 195 . 3 1 1 A 24 24 GLN C C 24 175.731 176.687 -0.956 1
1 196 . 3 1 1 A 25 25 ARG N N 25 127.274 121.483 5.791 1
1 197 . 3 1 1 A 25 25 ARG H H 25 8.350 8.759 -0.409 1
1 198 . 3 1 1 A 25 25 ARG CA C 25 59.687 58.091 1.596 1
1 199 . 3 1 1 A 25 25 ARG HA H 25 2.879 3.208 -0.329 1
1 200 . 3 1 1 A 25 25 ARG CB C 25 29.082 29.168 -0.086 1
1 209 . 3 1 1 A 25 25 ARG C C 25 178.363 178.409 -0.046 1
1 210 . 3 1 1 A 26 26 VAL N N 26 115.093 119.663 -4.570 1
1 211 . 3 1 1 A 26 26 VAL H H 26 8.274 7.954 0.320 1
1 212 . 3 1 1 A 26 26 VAL CA C 26 64.611 64.755 -0.144 1
1 213 . 3 1 1 A 26 26 VAL HA H 26 3.908 3.758 0.150 1
1 214 . 3 1 1 A 26 26 VAL CB C 26 31.070 31.525 -0.455 1
1 224 . 3 1 1 A 26 26 VAL C C 26 176.893 177.201 -0.308 1
1 225 . 3 1 1 A 27 27 HIS N N 27 119.161 119.069 0.092 1
1 226 . 3 1 1 A 27 27 HIS H H 27 6.525 7.783 -1.258 1
1 227 . 3 1 1 A 27 27 HIS CA C 27 57.177 59.797 -2.620 1
1 228 . 3 1 1 A 27 27 HIS HA H 27 4.387 4.277 0.110 1
1 229 . 3 1 1 A 27 27 HIS CB C 27 31.423 30.236 1.187 1
1 236 . 3 1 1 A 27 27 HIS C C 27 178.508 177.484 1.024 1
1 237 . 3 1 1 A 28 28 LEU N N 28 121.662 121.322 0.340 1
1 238 . 3 1 1 A 28 28 LEU H H 28 7.064 7.956 -0.892 1
1 239 . 3 1 1 A 28 28 LEU CA C 28 58.041 57.754 0.287 1
1 240 . 3 1 1 A 28 28 LEU HA H 28 3.807 3.566 0.241 1
1 241 . 3 1 1 A 28 28 LEU CB C 28 40.232 41.731 -1.499 1
1 254 . 3 1 1 A 28 28 LEU C C 28 177.776 178.007 -0.231 1
1 255 . 3 1 1 A 29 29 THR N N 29 116.331 114.084 2.247 1
1 256 . 3 1 1 A 29 29 THR H H 29 8.606 8.093 0.513 1
1 257 . 3 1 1 A 29 29 THR CA C 29 66.300 65.421 0.879 1
1 258 . 3 1 1 A 29 29 THR HA H 29 4.009 3.896 0.113 1
1 259 . 3 1 1 A 29 29 THR CB C 29 68.317 68.857 -0.540 1
1 265 . 3 1 1 A 29 29 THR C C 29 177.336 176.637 0.699 1
1 266 . 3 1 1 A 30 30 GLN N N 30 119.465 120.356 -0.891 1
1 267 . 3 1 1 A 30 30 GLN H H 30 7.838 7.813 0.025 1
1 268 . 3 1 1 A 30 30 GLN CA C 30 58.851 58.215 0.636 1
1 269 . 3 1 1 A 30 30 GLN HA H 30 3.969 4.178 -0.209 1
1 270 . 3 1 1 A 30 30 GLN CB C 30 28.349 28.428 -0.079 1
1 279 . 3 1 1 A 30 30 GLN C C 30 178.722 177.999 0.723 1
1 280 . 3 1 1 A 31 31 HIS N N 31 119.993 121.333 -1.340 1
1 281 . 3 1 1 A 31 31 HIS H H 31 7.664 8.166 -0.502 1
1 282 . 3 1 1 A 31 31 HIS CA C 31 59.107 59.129 -0.022 1
1 283 . 3 1 1 A 31 31 HIS HA H 31 4.287 4.123 0.164 1
1 284 . 3 1 1 A 31 31 HIS CB C 31 28.026 29.847 -1.821 1
1 291 . 3 1 1 A 31 31 HIS C C 31 176.251 177.145 -0.894 1
1 292 . 3 1 1 A 32 32 GLN N N 32 115.117 119.114 -3.997 1
1 293 . 3 1 1 A 32 32 GLN H H 32 8.424 8.293 0.131 1
1 294 . 3 1 1 A 32 32 GLN CA C 32 59.472 58.303 1.169 1
1 295 . 3 1 1 A 32 32 GLN HA H 32 3.613 3.939 -0.326 1
1 296 . 3 1 1 A 32 32 GLN CB C 32 28.286 28.677 -0.391 1
1 305 . 3 1 1 A 32 32 GLN C C 32 177.186 178.288 -1.102 1
1 306 . 3 1 1 A 33 33 ARG N N 33 117.852 119.455 -1.603 1
1 307 . 3 1 1 A 33 33 ARG H H 33 7.105 7.893 -0.788 1
1 308 . 3 1 1 A 33 33 ARG CA C 33 58.492 58.599 -0.107 1
1 309 . 3 1 1 A 33 33 ARG HA H 33 4.149 4.322 -0.173 1
1 310 . 3 1 1 A 33 33 ARG CB C 33 30.080 29.782 0.298 1
1 319 . 3 1 1 A 33 33 ARG C C 33 178.535 178.566 -0.031 1
1 320 . 3 1 1 A 34 34 VAL N N 34 115.844 116.991 -1.147 1
1 321 . 3 1 1 A 34 34 VAL H H 34 7.971 7.242 0.729 1
1 322 . 3 1 1 A 34 34 VAL CA C 34 63.982 65.006 -1.024 1
1 323 . 3 1 1 A 34 34 VAL HA H 34 3.936 3.710 0.226 1
1 324 . 3 1 1 A 34 34 VAL CB C 34 31.159 31.009 0.150 1
1 334 . 3 1 1 A 34 34 VAL C C 34 177.254 176.482 0.772 1
1 335 . 3 1 1 A 35 35 HIS N N 35 117.345 119.880 -2.535 1
1 336 . 3 1 1 A 35 35 HIS H H 35 7.225 7.261 -0.036 1
1 337 . 3 1 1 A 35 35 HIS CA C 35 55.058 56.552 -1.494 1
1 338 . 3 1 1 A 35 35 HIS HA H 35 4.895 4.558 0.337 1
1 339 . 3 1 1 A 35 35 HIS CB C 35 28.620 30.291 -1.671 1
1 346 . 3 1 1 A 35 35 HIS C C 35 175.716 174.834 0.882 1
1 347 . 3 1 1 A 36 36 THR N N 36 111.842 108.409 3.433 1
1 348 . 3 1 1 A 36 36 THR H H 36 7.775 7.251 0.524 1
1 349 . 3 1 1 A 36 36 THR CA C 36 62.514 60.502 2.012 1
1 350 . 3 1 1 A 36 36 THR HA H 36 4.374 4.611 -0.237 1
1 351 . 3 1 1 A 36 36 THR CB C 36 69.853 71.110 -1.257 1
1 357 . 3 1 1 A 36 36 THR C C 36 175.509 174.397 1.112 1
1 358 . 3 1 1 A 37 37 GLY N N 37 110.650 111.810 -1.160 1
1 359 . 3 1 1 A 37 37 GLY H H 37 8.235 8.662 -0.427 1
1 360 . 3 1 1 A 37 37 GLY CA C 37 45.420 44.450 0.970 1
1 361 . 3 1 1 A 37 37 GLY HA2 H 37 3.960 4.034 -0.074 1
1 362 . 3 1 1 A 37 37 GLY HA3 H 37 4.040 4.043 -0.003 1
1 363 . 3 1 1 A 37 37 GLY C C 37 173.979 173.062 0.917 1
1 364 . 3 1 1 A 38 38 GLU N N 38 120.601 119.836 0.765 1
1 365 . 3 1 1 A 38 38 GLU H H 38 8.101 8.458 -0.357 1
1 366 . 3 1 1 A 38 38 GLU CA C 38 56.476 55.253 1.223 1
1 367 . 3 1 1 A 38 38 GLU HA H 38 4.255 4.965 -0.710 1
1 368 . 3 1 1 A 38 38 GLU CB C 38 30.561 32.086 -1.525 1
1 374 . 3 1 1 A 38 38 GLU C C 38 176.212 175.912 0.300 1
1 375 . 3 1 1 A 39 39 LYS N N 39 123.814 118.005 5.809 1
1 376 . 3 1 1 A 39 39 LYS H H 39 8.413 8.280 0.133 1
1 377 . 3 1 1 A 39 39 LYS CA C 39 54.245 55.469 -1.224 1
1 378 . 3 1 1 A 39 39 LYS HA H 39 4.618 4.255 0.363 1
1 379 . 3 1 1 A 39 39 LYS CB C 39 32.519 32.421 0.098 1
1 391 . 3 1 1 A 39 39 LYS C C 39 174.467 176.752 -2.285 1
1 392 . 3 1 1 A 40 40 PRO CA C 40 63.219 64.650 -1.431 1
1 393 . 3 1 1 A 40 40 PRO HA H 40 4.467 4.379 0.088 1
1 394 . 3 1 1 A 40 40 PRO CB C 40 32.203 31.976 0.227 1
1 403 . 3 1 1 A 40 40 PRO C C 40 173.930 176.634 -2.704 1
1 404 . 3 1 1 A 41 41 SER N N 41 116.519 113.019 3.500 1
1 405 . 3 1 1 A 41 41 SER H H 41 8.488 7.754 0.734 1
1 406 . 3 1 1 A 41 41 SER C C 41 178.949 174.932 4.017 1
1 407 . 3 1 1 A 42 42 GLY CA C 42 44.689 44.249 0.440 1
1 408 . 3 1 1 A 42 42 GLY HA2 H 42 4.119 4.069 0.050 1
1 409 . 3 1 1 A 42 42 GLY HA3 H 42 4.173 4.069 0.104 1
1 410 . 3 1 1 A 43 43 PRO CA C 43 63.267 62.640 0.627 1
1 411 . 3 1 1 A 43 43 PRO HA H 43 4.485 4.518 -0.033 1
1 412 . 3 1 1 A 43 43 PRO CB C 43 32.227 32.292 -0.065 1
1 421 . 3 1 1 A 45 45 SER CA C 45 58.370 56.266 2.104 1
1 422 . 3 1 1 A 45 45 SER HA H 45 4.495 5.021 -0.526 1
1 423 . 3 1 1 A 45 45 SER CB C 45 64.018 65.498 -1.480 1
1 425 . 3 1 1 A 45 45 SER C C 45 173.890 174.096 -0.206 1
1 1 . 4 1 1 A 8 8 THR CA C 8 61.919 64.592 -2.673 1
1 2 . 4 1 1 A 8 8 THR HA H 8 4.367 4.059 0.308 1
1 3 . 4 1 1 A 8 8 THR CB C 8 69.796 68.497 1.299 1
1 9 . 4 1 1 A 8 8 THR C C 8 175.193 175.438 -0.245 1
1 10 . 4 1 1 A 9 9 GLY N N 9 111.079 114.988 -3.909 1
1 11 . 4 1 1 A 9 9 GLY H H 9 8.450 8.357 0.093 1
1 12 . 4 1 1 A 9 9 GLY CA C 9 45.243 45.538 -0.295 1
1 13 . 4 1 1 A 9 9 GLY HA2 H 9 3.956 3.981 -0.025 1
1 14 . 4 1 1 A 9 9 GLY HA3 H 9 3.956 3.985 -0.029 1
1 15 . 4 1 1 A 9 9 GLY C C 9 173.979 175.014 -1.035 1
1 16 . 4 1 1 A 10 10 GLU N N 10 120.501 115.641 4.860 1
1 17 . 4 1 1 A 10 10 GLU H H 10 8.192 7.987 0.205 1
1 18 . 4 1 1 A 10 10 GLU CA C 10 56.560 57.492 -0.932 1
1 19 . 4 1 1 A 10 10 GLU HA H 10 4.198 3.831 0.367 1
1 20 . 4 1 1 A 10 10 GLU CB C 10 30.474 27.468 3.006 1
1 26 . 4 1 1 A 10 10 GLU C C 10 176.188 175.765 0.423 1
1 27 . 4 1 1 A 11 11 LYS N N 11 122.926 119.687 3.239 1
1 28 . 4 1 1 A 11 11 LYS H H 11 8.346 7.951 0.395 1
1 29 . 4 1 1 A 11 11 LYS CA C 11 54.399 54.956 -0.557 1
1 30 . 4 1 1 A 11 11 LYS HA H 11 4.447 4.364 0.083 1
1 31 . 4 1 1 A 11 11 LYS CB C 11 32.473 31.961 0.512 1
1 43 . 4 1 1 A 11 11 LYS C C 11 174.709 176.474 -1.765 1
1 44 . 4 1 1 A 12 12 PRO CA C 12 64.071 63.924 0.147 1
1 45 . 4 1 1 A 12 12 PRO HA H 12 4.194 4.226 -0.032 1
1 46 . 4 1 1 A 12 12 PRO CB C 12 32.233 31.160 1.073 1
1 55 . 4 1 1 A 12 12 PRO C C 12 176.563 175.572 0.991 1
1 56 . 4 1 1 A 13 13 PHE N N 13 117.437 118.505 -1.068 1
1 57 . 4 1 1 A 13 13 PHE H H 13 7.906 7.423 0.483 1
1 58 . 4 1 1 A 13 13 PHE CA C 13 57.216 56.234 0.982 1
1 59 . 4 1 1 A 13 13 PHE HA H 13 4.733 5.313 -0.580 1
1 60 . 4 1 1 A 13 13 PHE CB C 13 38.760 43.278 -4.518 1
1 73 . 4 1 1 A 13 13 PHE C C 13 174.019 174.130 -0.111 1
1 74 . 4 1 1 A 14 14 LYS N N 14 125.906 122.104 3.802 1
1 75 . 4 1 1 A 14 14 LYS H H 14 8.558 8.714 -0.156 1
1 76 . 4 1 1 A 14 14 LYS CA C 14 55.253 55.503 -0.250 1
1 77 . 4 1 1 A 14 14 LYS HA H 14 4.753 5.076 -0.323 1
1 78 . 4 1 1 A 14 14 LYS CB C 14 35.471 36.956 -1.485 1
1 90 . 4 1 1 A 14 14 LYS C C 14 175.156 173.668 1.488 1
1 91 . 4 1 1 A 15 15 CYS N N 15 128.017 123.597 4.420 1
1 92 . 4 1 1 A 15 15 CYS H H 15 9.322 9.094 0.228 1
1 93 . 4 1 1 A 15 15 CYS CA C 15 59.976 57.449 2.527 1
1 94 . 4 1 1 A 15 15 CYS HA H 15 4.451 4.972 -0.521 1
1 95 . 4 1 1 A 15 15 CYS CB C 15 29.411 30.426 -1.015 1
1 98 . 4 1 1 A 15 15 CYS C C 15 177.343 176.167 1.176 1
1 99 . 4 1 1 A 16 16 GLY N N 16 120.643 114.949 5.694 1
1 100 . 4 1 1 A 16 16 GLY H H 16 9.425 8.829 0.596 1
1 101 . 4 1 1 A 16 16 GLY CA C 16 46.692 47.046 -0.354 1
1 102 . 4 1 1 A 16 16 GLY HA2 H 16 3.969 3.864 0.105 1
1 103 . 4 1 1 A 16 16 GLY HA3 H 16 4.034 3.868 0.166 1
1 104 . 4 1 1 A 16 16 GLY C C 16 174.008 175.815 -1.807 1
1 105 . 4 1 1 A 17 17 GLU N N 17 121.284 120.813 0.471 1
1 106 . 4 1 1 A 17 17 GLU H H 17 8.683 7.933 0.750 1
1 107 . 4 1 1 A 17 17 GLU CA C 17 57.922 59.248 -1.326 1
1 108 . 4 1 1 A 17 17 GLU HA H 17 4.295 3.928 0.367 1
1 109 . 4 1 1 A 17 17 GLU CB C 17 29.778 28.605 1.173 1
1 115 . 4 1 1 A 17 17 GLU C C 17 177.066 178.003 -0.937 1
1 116 . 4 1 1 A 18 18 CYS N N 18 115.033 114.892 0.141 1
1 117 . 4 1 1 A 18 18 CYS H H 18 7.942 7.299 0.643 1
1 118 . 4 1 1 A 18 18 CYS CA C 18 58.453 59.677 -1.224 1
1 119 . 4 1 1 A 18 18 CYS HA H 18 5.187 4.537 0.650 1
1 120 . 4 1 1 A 18 18 CYS CB C 18 32.524 29.631 2.893 1
1 123 . 4 1 1 A 18 18 CYS C C 18 176.135 175.205 0.930 1
1 124 . 4 1 1 A 19 19 GLY N N 19 112.484 110.279 2.205 1
1 125 . 4 1 1 A 19 19 GLY H H 19 8.139 7.721 0.418 1
1 126 . 4 1 1 A 19 19 GLY CA C 19 46.297 45.217 1.080 1
1 127 . 4 1 1 A 19 19 GLY HA2 H 19 4.269 4.075 0.194 1
1 128 . 4 1 1 A 19 19 GLY HA3 H 19 3.800 4.086 -0.286 1
1 129 . 4 1 1 A 19 19 GLY C C 19 174.065 174.383 -0.318 1
1 130 . 4 1 1 A 20 20 LYS N N 20 123.711 119.698 4.013 1
1 131 . 4 1 1 A 20 20 LYS H H 20 8.048 7.934 0.114 1
1 132 . 4 1 1 A 20 20 LYS CA C 20 58.446 55.414 3.032 1
1 133 . 4 1 1 A 20 20 LYS HA H 20 4.045 4.555 -0.510 1
1 134 . 4 1 1 A 20 20 LYS CB C 20 33.391 34.297 -0.906 1
1 146 . 4 1 1 A 20 20 LYS C C 20 174.750 175.178 -0.428 1
1 147 . 4 1 1 A 21 21 SER N N 21 114.286 112.289 1.997 1
1 148 . 4 1 1 A 21 21 SER H H 21 7.863 8.236 -0.373 1
1 149 . 4 1 1 A 21 21 SER CA C 21 56.933 57.019 -0.086 1
1 150 . 4 1 1 A 21 21 SER HA H 21 5.398 5.264 0.134 1
1 151 . 4 1 1 A 21 21 SER CB C 21 66.461 66.061 0.400 1
1 154 . 4 1 1 A 21 21 SER C C 21 172.635 172.248 0.387 1
1 155 . 4 1 1 A 22 22 TYR N N 22 117.528 119.537 -2.009 1
1 156 . 4 1 1 A 22 22 TYR H H 22 8.774 8.428 0.346 1
1 157 . 4 1 1 A 22 22 TYR CA C 22 58.061 56.613 1.448 1
1 158 . 4 1 1 A 22 22 TYR HA H 22 4.750 5.061 -0.311 1
1 159 . 4 1 1 A 22 22 TYR CB C 22 44.125 41.570 2.555 1
1 170 . 4 1 1 A 22 22 TYR C C 22 174.955 176.400 -1.445 1
1 171 . 4 1 1 A 23 23 ASN N N 23 118.657 122.330 -3.673 1
1 172 . 4 1 1 A 23 23 ASN H H 23 9.444 8.877 0.567 1
1 173 . 4 1 1 A 23 23 ASN CA C 23 54.765 56.431 -1.666 1
1 174 . 4 1 1 A 23 23 ASN HA H 23 5.029 4.537 0.492 1
1 175 . 4 1 1 A 23 23 ASN CB C 23 40.282 38.507 1.775 1
1 181 . 4 1 1 A 23 23 ASN C C 23 175.004 176.105 -1.101 1
1 182 . 4 1 1 A 24 24 GLN N N 24 114.619 117.328 -2.709 1
1 183 . 4 1 1 A 24 24 GLN H H 24 7.579 8.156 -0.577 1
1 184 . 4 1 1 A 24 24 GLN CA C 24 54.151 54.658 -0.507 1
1 185 . 4 1 1 A 24 24 GLN HA H 24 4.692 4.896 -0.204 1
1 186 . 4 1 1 A 24 24 GLN CB C 24 31.829 30.507 1.322 1
1 195 . 4 1 1 A 24 24 GLN C C 24 175.731 176.557 -0.826 1
1 196 . 4 1 1 A 25 25 ARG N N 25 127.274 121.389 5.885 1
1 197 . 4 1 1 A 25 25 ARG H H 25 8.350 8.531 -0.181 1
1 198 . 4 1 1 A 25 25 ARG CA C 25 59.687 58.399 1.288 1
1 199 . 4 1 1 A 25 25 ARG HA H 25 2.879 3.064 -0.185 1
1 200 . 4 1 1 A 25 25 ARG CB C 25 29.082 29.223 -0.141 1
1 209 . 4 1 1 A 25 25 ARG C C 25 178.363 178.279 0.084 1
1 210 . 4 1 1 A 26 26 VAL N N 26 115.093 119.036 -3.943 1
1 211 . 4 1 1 A 26 26 VAL H H 26 8.274 7.848 0.426 1
1 212 . 4 1 1 A 26 26 VAL CA C 26 64.611 64.994 -0.383 1
1 213 . 4 1 1 A 26 26 VAL HA H 26 3.908 3.613 0.295 1
1 214 . 4 1 1 A 26 26 VAL CB C 26 31.070 30.999 0.071 1
1 224 . 4 1 1 A 26 26 VAL C C 26 176.893 177.574 -0.681 1
1 225 . 4 1 1 A 27 27 HIS N N 27 119.161 119.584 -0.423 1
1 226 . 4 1 1 A 27 27 HIS H H 27 6.525 7.622 -1.097 1
1 227 . 4 1 1 A 27 27 HIS CA C 27 57.177 60.096 -2.919 1
1 228 . 4 1 1 A 27 27 HIS HA H 27 4.387 4.097 0.290 1
1 229 . 4 1 1 A 27 27 HIS CB C 27 31.423 30.941 0.482 1
1 236 . 4 1 1 A 27 27 HIS C C 27 178.508 177.542 0.966 1
1 237 . 4 1 1 A 28 28 LEU N N 28 121.662 120.596 1.066 1
1 238 . 4 1 1 A 28 28 LEU H H 28 7.064 7.810 -0.746 1
1 239 . 4 1 1 A 28 28 LEU CA C 28 58.041 58.031 0.010 1
1 240 . 4 1 1 A 28 28 LEU HA H 28 3.807 3.813 -0.006 1
1 241 . 4 1 1 A 28 28 LEU CB C 28 40.232 42.026 -1.794 1
1 254 . 4 1 1 A 28 28 LEU C C 28 177.776 178.295 -0.519 1
1 255 . 4 1 1 A 29 29 THR N N 29 116.331 114.117 2.214 1
1 256 . 4 1 1 A 29 29 THR H H 29 8.606 8.274 0.332 1
1 257 . 4 1 1 A 29 29 THR CA C 29 66.300 65.391 0.909 1
1 258 . 4 1 1 A 29 29 THR HA H 29 4.009 3.811 0.198 1
1 259 . 4 1 1 A 29 29 THR CB C 29 68.317 68.895 -0.578 1
1 265 . 4 1 1 A 29 29 THR C C 29 177.336 176.726 0.610 1
1 266 . 4 1 1 A 30 30 GLN N N 30 119.465 120.731 -1.266 1
1 267 . 4 1 1 A 30 30 GLN H H 30 7.838 7.528 0.310 1
1 268 . 4 1 1 A 30 30 GLN CA C 30 58.851 58.449 0.402 1
1 269 . 4 1 1 A 30 30 GLN HA H 30 3.969 4.162 -0.193 1
1 270 . 4 1 1 A 30 30 GLN CB C 30 28.349 28.616 -0.267 1
1 279 . 4 1 1 A 30 30 GLN C C 30 178.722 178.164 0.558 1
1 280 . 4 1 1 A 31 31 HIS N N 31 119.993 121.306 -1.313 1
1 281 . 4 1 1 A 31 31 HIS H H 31 7.664 8.293 -0.629 1
1 282 . 4 1 1 A 31 31 HIS CA C 31 59.107 59.345 -0.238 1
1 283 . 4 1 1 A 31 31 HIS HA H 31 4.287 4.162 0.125 1
1 284 . 4 1 1 A 31 31 HIS CB C 31 28.026 29.787 -1.761 1
1 291 . 4 1 1 A 31 31 HIS C C 31 176.251 177.151 -0.900 1
1 292 . 4 1 1 A 32 32 GLN N N 32 115.117 118.389 -3.272 1
1 293 . 4 1 1 A 32 32 GLN H H 32 8.424 8.312 0.112 1
1 294 . 4 1 1 A 32 32 GLN CA C 32 59.472 59.099 0.373 1
1 295 . 4 1 1 A 32 32 GLN HA H 32 3.613 3.857 -0.244 1
1 296 . 4 1 1 A 32 32 GLN CB C 32 28.286 28.378 -0.092 1
1 305 . 4 1 1 A 32 32 GLN C C 32 177.186 178.675 -1.489 1
1 306 . 4 1 1 A 33 33 ARG N N 33 117.852 119.913 -2.061 1
1 307 . 4 1 1 A 33 33 ARG H H 33 7.105 7.918 -0.813 1
1 308 . 4 1 1 A 33 33 ARG CA C 33 58.492 58.986 -0.494 1
1 309 . 4 1 1 A 33 33 ARG HA H 33 4.149 4.229 -0.080 1
1 310 . 4 1 1 A 33 33 ARG CB C 33 30.080 29.908 0.172 1
1 319 . 4 1 1 A 33 33 ARG C C 33 178.535 179.097 -0.562 1
1 320 . 4 1 1 A 34 34 VAL N N 34 115.844 116.860 -1.016 1
1 321 . 4 1 1 A 34 34 VAL H H 34 7.971 7.406 0.565 1
1 322 . 4 1 1 A 34 34 VAL CA C 34 63.982 64.402 -0.420 1
1 323 . 4 1 1 A 34 34 VAL HA H 34 3.936 3.741 0.195 1
1 324 . 4 1 1 A 34 34 VAL CB C 34 31.159 31.059 0.100 1
1 334 . 4 1 1 A 34 34 VAL C C 34 177.254 176.429 0.825 1
1 335 . 4 1 1 A 35 35 HIS N N 35 117.345 119.349 -2.004 1
1 336 . 4 1 1 A 35 35 HIS H H 35 7.225 7.827 -0.602 1
1 337 . 4 1 1 A 35 35 HIS CA C 35 55.058 56.898 -1.840 1
1 338 . 4 1 1 A 35 35 HIS HA H 35 4.895 4.609 0.286 1
1 339 . 4 1 1 A 35 35 HIS CB C 35 28.620 31.789 -3.169 1
1 346 . 4 1 1 A 35 35 HIS C C 35 175.716 175.994 -0.278 1
1 347 . 4 1 1 A 36 36 THR N N 36 111.842 105.888 5.954 1
1 348 . 4 1 1 A 36 36 THR H H 36 7.775 7.164 0.611 1
1 349 . 4 1 1 A 36 36 THR CA C 36 62.514 60.956 1.558 1
1 350 . 4 1 1 A 36 36 THR HA H 36 4.374 4.479 -0.105 1
1 351 . 4 1 1 A 36 36 THR CB C 36 69.853 68.738 1.115 1
1 357 . 4 1 1 A 36 36 THR C C 36 175.509 174.822 0.687 1
1 358 . 4 1 1 A 37 37 GLY N N 37 110.650 110.806 -0.156 1
1 359 . 4 1 1 A 37 37 GLY H H 37 8.235 8.216 0.019 1
1 360 . 4 1 1 A 37 37 GLY CA C 37 45.420 45.953 -0.533 1
1 361 . 4 1 1 A 37 37 GLY HA2 H 37 3.960 3.837 0.123 1
1 362 . 4 1 1 A 37 37 GLY HA3 H 37 4.040 3.849 0.191 1
1 363 . 4 1 1 A 37 37 GLY C C 37 173.979 173.695 0.284 1
1 364 . 4 1 1 A 38 38 GLU N N 38 120.601 125.632 -5.031 1
1 365 . 4 1 1 A 38 38 GLU H H 38 8.101 8.759 -0.658 1
1 366 . 4 1 1 A 38 38 GLU CA C 38 56.476 55.714 0.762 1
1 367 . 4 1 1 A 38 38 GLU HA H 38 4.255 4.696 -0.441 1
1 368 . 4 1 1 A 38 38 GLU CB C 38 30.561 31.121 -0.560 1
1 374 . 4 1 1 A 38 38 GLU C C 38 176.212 175.507 0.705 1
1 375 . 4 1 1 A 39 39 LYS N N 39 123.814 124.661 -0.847 1
1 376 . 4 1 1 A 39 39 LYS H H 39 8.413 8.327 0.086 1
1 377 . 4 1 1 A 39 39 LYS CA C 39 54.245 53.013 1.232 1
1 378 . 4 1 1 A 39 39 LYS HA H 39 4.618 4.815 -0.197 1
1 379 . 4 1 1 A 39 39 LYS CB C 39 32.519 35.391 -2.872 1
1 391 . 4 1 1 A 39 39 LYS C C 39 174.467 176.112 -1.645 1
1 392 . 4 1 1 A 40 40 PRO CA C 40 63.219 65.039 -1.820 1
1 393 . 4 1 1 A 40 40 PRO HA H 40 4.467 4.398 0.069 1
1 394 . 4 1 1 A 40 40 PRO CB C 40 32.203 31.990 0.213 1
1 403 . 4 1 1 A 40 40 PRO C C 40 173.930 177.016 -3.086 1
1 404 . 4 1 1 A 41 41 SER N N 41 116.519 112.660 3.859 1
1 405 . 4 1 1 A 41 41 SER H H 41 8.488 7.662 0.826 1
1 406 . 4 1 1 A 41 41 SER C C 41 178.949 173.988 4.961 1
1 407 . 4 1 1 A 42 42 GLY CA C 42 44.689 45.615 -0.926 1
1 408 . 4 1 1 A 42 42 GLY HA2 H 42 4.119 4.166 -0.047 1
1 409 . 4 1 1 A 42 42 GLY HA3 H 42 4.173 4.166 0.007 1
1 410 . 4 1 1 A 43 43 PRO CA C 43 63.267 64.448 -1.181 1
1 411 . 4 1 1 A 43 43 PRO HA H 43 4.485 4.364 0.121 1
1 412 . 4 1 1 A 43 43 PRO CB C 43 32.227 31.897 0.330 1
1 421 . 4 1 1 A 45 45 SER CA C 45 58.370 57.781 0.589 1
1 422 . 4 1 1 A 45 45 SER HA H 45 4.495 4.637 -0.142 1
1 423 . 4 1 1 A 45 45 SER CB C 45 64.018 63.225 0.793 1
1 425 . 4 1 1 A 45 45 SER C C 45 173.890 174.407 -0.517 1
1 1 . 5 1 1 A 8 8 THR CA C 8 61.919 65.039 -3.120 1
1 2 . 5 1 1 A 8 8 THR HA H 8 4.367 4.159 0.208 1
1 3 . 5 1 1 A 8 8 THR CB C 8 69.796 69.239 0.557 1
1 9 . 5 1 1 A 8 8 THR C C 8 175.193 175.635 -0.442 1
1 10 . 5 1 1 A 9 9 GLY N N 9 111.079 104.882 6.197 1
1 11 . 5 1 1 A 9 9 GLY H H 9 8.450 7.285 1.165 1
1 12 . 5 1 1 A 9 9 GLY CA C 9 45.243 45.789 -0.546 1
1 13 . 5 1 1 A 9 9 GLY HA2 H 9 3.956 4.052 -0.096 1
1 14 . 5 1 1 A 9 9 GLY HA3 H 9 3.956 4.055 -0.099 1
1 15 . 5 1 1 A 9 9 GLY C C 9 173.979 172.637 1.342 1
1 16 . 5 1 1 A 10 10 GLU N N 10 120.501 125.657 -5.156 1
1 17 . 5 1 1 A 10 10 GLU H H 10 8.192 8.732 -0.540 1
1 18 . 5 1 1 A 10 10 GLU CA C 10 56.560 56.676 -0.116 1
1 19 . 5 1 1 A 10 10 GLU HA H 10 4.198 4.260 -0.062 1
1 20 . 5 1 1 A 10 10 GLU CB C 10 30.474 30.371 0.103 1
1 26 . 5 1 1 A 10 10 GLU C C 10 176.188 176.012 0.176 1
1 27 . 5 1 1 A 11 11 LYS N N 11 122.926 126.511 -3.585 1
1 28 . 5 1 1 A 11 11 LYS H H 11 8.346 8.854 -0.508 1
1 29 . 5 1 1 A 11 11 LYS CA C 11 54.399 53.011 1.388 1
1 30 . 5 1 1 A 11 11 LYS HA H 11 4.447 4.627 -0.180 1
1 31 . 5 1 1 A 11 11 LYS CB C 11 32.473 33.133 -0.660 1
1 43 . 5 1 1 A 11 11 LYS C C 11 174.709 176.088 -1.379 1
1 44 . 5 1 1 A 12 12 PRO CA C 12 64.071 64.094 -0.023 1
1 45 . 5 1 1 A 12 12 PRO HA H 12 4.194 4.298 -0.104 1
1 46 . 5 1 1 A 12 12 PRO CB C 12 32.233 31.327 0.906 1
1 55 . 5 1 1 A 12 12 PRO C C 12 176.563 175.804 0.759 1
1 56 . 5 1 1 A 13 13 PHE N N 13 117.437 118.189 -0.752 1
1 57 . 5 1 1 A 13 13 PHE H H 13 7.906 7.211 0.695 1
1 58 . 5 1 1 A 13 13 PHE CA C 13 57.216 56.275 0.941 1
1 59 . 5 1 1 A 13 13 PHE HA H 13 4.733 5.392 -0.659 1
1 60 . 5 1 1 A 13 13 PHE CB C 13 38.760 42.689 -3.929 1
1 73 . 5 1 1 A 13 13 PHE C C 13 174.019 174.514 -0.495 1
1 74 . 5 1 1 A 14 14 LYS N N 14 125.906 121.719 4.187 1
1 75 . 5 1 1 A 14 14 LYS H H 14 8.558 8.726 -0.168 1
1 76 . 5 1 1 A 14 14 LYS CA C 14 55.253 55.793 -0.540 1
1 77 . 5 1 1 A 14 14 LYS HA H 14 4.753 4.766 -0.013 1
1 78 . 5 1 1 A 14 14 LYS CB C 14 35.471 36.624 -1.153 1
1 90 . 5 1 1 A 14 14 LYS C C 14 175.156 174.554 0.602 1
1 91 . 5 1 1 A 15 15 CYS N N 15 128.017 123.923 4.094 1
1 92 . 5 1 1 A 15 15 CYS H H 15 9.322 9.216 0.106 1
1 93 . 5 1 1 A 15 15 CYS CA C 15 59.976 58.545 1.431 1
1 94 . 5 1 1 A 15 15 CYS HA H 15 4.451 4.802 -0.351 1
1 95 . 5 1 1 A 15 15 CYS CB C 15 29.411 27.953 1.458 1
1 98 . 5 1 1 A 15 15 CYS C C 15 177.343 176.518 0.825 1
1 99 . 5 1 1 A 16 16 GLY N N 16 120.643 114.929 5.714 1
1 100 . 5 1 1 A 16 16 GLY H H 16 9.425 8.830 0.595 1
1 101 . 5 1 1 A 16 16 GLY CA C 16 46.692 46.681 0.011 1
1 102 . 5 1 1 A 16 16 GLY HA2 H 16 3.969 3.901 0.068 1
1 103 . 5 1 1 A 16 16 GLY HA3 H 16 4.034 3.906 0.128 1
1 104 . 5 1 1 A 16 16 GLY C C 16 174.008 173.791 0.217 1
1 105 . 5 1 1 A 17 17 GLU N N 17 121.284 117.151 4.133 1
1 106 . 5 1 1 A 17 17 GLU H H 17 8.683 8.076 0.607 1
1 107 . 5 1 1 A 17 17 GLU CA C 17 57.922 57.277 0.645 1
1 108 . 5 1 1 A 17 17 GLU HA H 17 4.295 4.504 -0.209 1
1 109 . 5 1 1 A 17 17 GLU CB C 17 29.778 32.081 -2.303 1
1 115 . 5 1 1 A 17 17 GLU C C 17 177.066 177.679 -0.613 1
1 116 . 5 1 1 A 18 18 CYS N N 18 115.033 114.602 0.431 1
1 117 . 5 1 1 A 18 18 CYS H H 18 7.942 8.057 -0.115 1
1 118 . 5 1 1 A 18 18 CYS CA C 18 58.453 59.554 -1.101 1
1 119 . 5 1 1 A 18 18 CYS HA H 18 5.187 4.637 0.550 1
1 120 . 5 1 1 A 18 18 CYS CB C 18 32.524 29.983 2.541 1
1 123 . 5 1 1 A 18 18 CYS C C 18 176.135 175.444 0.691 1
1 124 . 5 1 1 A 19 19 GLY N N 19 112.484 109.931 2.553 1
1 125 . 5 1 1 A 19 19 GLY H H 19 8.139 8.139 0.000 1
1 126 . 5 1 1 A 19 19 GLY CA C 19 46.297 45.136 1.161 1
1 127 . 5 1 1 A 19 19 GLY HA2 H 19 4.269 4.100 0.169 1
1 128 . 5 1 1 A 19 19 GLY HA3 H 19 3.800 4.115 -0.315 1
1 129 . 5 1 1 A 19 19 GLY C C 19 174.065 174.129 -0.064 1
1 130 . 5 1 1 A 20 20 LYS N N 20 123.711 120.231 3.480 1
1 131 . 5 1 1 A 20 20 LYS H H 20 8.048 7.454 0.594 1
1 132 . 5 1 1 A 20 20 LYS CA C 20 58.446 55.334 3.112 1
1 133 . 5 1 1 A 20 20 LYS HA H 20 4.045 4.318 -0.273 1
1 134 . 5 1 1 A 20 20 LYS CB C 20 33.391 33.420 -0.029 1
1 146 . 5 1 1 A 20 20 LYS C C 20 174.750 175.712 -0.962 1
1 147 . 5 1 1 A 21 21 SER N N 21 114.286 117.455 -3.169 1
1 148 . 5 1 1 A 21 21 SER H H 21 7.863 8.574 -0.711 1
1 149 . 5 1 1 A 21 21 SER CA C 21 56.933 55.950 0.983 1
1 150 . 5 1 1 A 21 21 SER HA H 21 5.398 5.536 -0.138 1
1 151 . 5 1 1 A 21 21 SER CB C 21 66.461 66.005 0.456 1
1 154 . 5 1 1 A 21 21 SER C C 21 172.635 173.363 -0.728 1
1 155 . 5 1 1 A 22 22 TYR N N 22 117.528 117.671 -0.143 1
1 156 . 5 1 1 A 22 22 TYR H H 22 8.774 7.999 0.775 1
1 157 . 5 1 1 A 22 22 TYR CA C 22 58.061 56.465 1.596 1
1 158 . 5 1 1 A 22 22 TYR HA H 22 4.750 4.996 -0.246 1
1 159 . 5 1 1 A 22 22 TYR CB C 22 44.125 43.031 1.094 1
1 170 . 5 1 1 A 22 22 TYR C C 22 174.955 175.916 -0.961 1
1 171 . 5 1 1 A 23 23 ASN N N 23 118.657 119.350 -0.693 1
1 172 . 5 1 1 A 23 23 ASN H H 23 9.444 9.127 0.317 1
1 173 . 5 1 1 A 23 23 ASN CA C 23 54.765 54.663 0.102 1
1 174 . 5 1 1 A 23 23 ASN HA H 23 5.029 4.614 0.415 1
1 175 . 5 1 1 A 23 23 ASN CB C 23 40.282 38.740 1.542 1
1 181 . 5 1 1 A 23 23 ASN C C 23 175.004 175.439 -0.435 1
1 182 . 5 1 1 A 24 24 GLN N N 24 114.619 119.445 -4.826 1
1 183 . 5 1 1 A 24 24 GLN H H 24 7.579 7.966 -0.387 1
1 184 . 5 1 1 A 24 24 GLN CA C 24 54.151 54.835 -0.684 1
1 185 . 5 1 1 A 24 24 GLN HA H 24 4.692 5.090 -0.398 1
1 186 . 5 1 1 A 24 24 GLN CB C 24 31.829 31.340 0.489 1
1 195 . 5 1 1 A 24 24 GLN C C 24 175.731 176.277 -0.546 1
1 196 . 5 1 1 A 25 25 ARG N N 25 127.274 123.169 4.105 1
1 197 . 5 1 1 A 25 25 ARG H H 25 8.350 8.856 -0.506 1
1 198 . 5 1 1 A 25 25 ARG CA C 25 59.687 58.526 1.161 1
1 199 . 5 1 1 A 25 25 ARG HA H 25 2.879 3.377 -0.498 1
1 200 . 5 1 1 A 25 25 ARG CB C 25 29.082 29.259 -0.177 1
1 209 . 5 1 1 A 25 25 ARG C C 25 178.363 178.213 0.150 1
1 210 . 5 1 1 A 26 26 VAL N N 26 115.093 119.440 -4.347 1
1 211 . 5 1 1 A 26 26 VAL H H 26 8.274 8.106 0.168 1
1 212 . 5 1 1 A 26 26 VAL CA C 26 64.611 64.852 -0.241 1
1 213 . 5 1 1 A 26 26 VAL HA H 26 3.908 3.720 0.188 1
1 214 . 5 1 1 A 26 26 VAL CB C 26 31.070 31.334 -0.264 1
1 224 . 5 1 1 A 26 26 VAL C C 26 176.893 177.309 -0.416 1
1 225 . 5 1 1 A 27 27 HIS N N 27 119.161 119.582 -0.421 1
1 226 . 5 1 1 A 27 27 HIS H H 27 6.525 8.008 -1.483 1
1 227 . 5 1 1 A 27 27 HIS CA C 27 57.177 59.920 -2.743 1
1 228 . 5 1 1 A 27 27 HIS HA H 27 4.387 4.295 0.092 1
1 229 . 5 1 1 A 27 27 HIS CB C 27 31.423 29.328 2.095 1
1 236 . 5 1 1 A 27 27 HIS C C 27 178.508 177.322 1.186 1
1 237 . 5 1 1 A 28 28 LEU N N 28 121.662 121.608 0.054 1
1 238 . 5 1 1 A 28 28 LEU H H 28 7.064 7.751 -0.687 1
1 239 . 5 1 1 A 28 28 LEU CA C 28 58.041 57.552 0.489 1
1 240 . 5 1 1 A 28 28 LEU HA H 28 3.807 3.495 0.312 1
1 241 . 5 1 1 A 28 28 LEU CB C 28 40.232 41.855 -1.623 1
1 254 . 5 1 1 A 28 28 LEU C C 28 177.776 177.928 -0.152 1
1 255 . 5 1 1 A 29 29 THR N N 29 116.331 113.938 2.393 1
1 256 . 5 1 1 A 29 29 THR H H 29 8.606 7.992 0.614 1
1 257 . 5 1 1 A 29 29 THR CA C 29 66.300 65.200 1.100 1
1 258 . 5 1 1 A 29 29 THR HA H 29 4.009 3.781 0.228 1
1 259 . 5 1 1 A 29 29 THR CB C 29 68.317 68.999 -0.682 1
1 265 . 5 1 1 A 29 29 THR C C 29 177.336 176.284 1.052 1
1 266 . 5 1 1 A 30 30 GLN N N 30 119.465 120.996 -1.531 1
1 267 . 5 1 1 A 30 30 GLN H H 30 7.838 7.167 0.671 1
1 268 . 5 1 1 A 30 30 GLN CA C 30 58.851 58.517 0.334 1
1 269 . 5 1 1 A 30 30 GLN HA H 30 3.969 4.112 -0.143 1
1 270 . 5 1 1 A 30 30 GLN CB C 30 28.349 28.464 -0.115 1
1 279 . 5 1 1 A 30 30 GLN C C 30 178.722 177.908 0.814 1
1 280 . 5 1 1 A 31 31 HIS N N 31 119.993 120.567 -0.574 1
1 281 . 5 1 1 A 31 31 HIS H H 31 7.664 7.994 -0.330 1
1 282 . 5 1 1 A 31 31 HIS CA C 31 59.107 59.511 -0.404 1
1 283 . 5 1 1 A 31 31 HIS HA H 31 4.287 4.133 0.154 1
1 284 . 5 1 1 A 31 31 HIS CB C 31 28.026 29.516 -1.490 1
1 291 . 5 1 1 A 31 31 HIS C C 31 176.251 177.259 -1.008 1
1 292 . 5 1 1 A 32 32 GLN N N 32 115.117 117.314 -2.197 1
1 293 . 5 1 1 A 32 32 GLN H H 32 8.424 8.124 0.300 1
1 294 . 5 1 1 A 32 32 GLN CA C 32 59.472 58.758 0.714 1
1 295 . 5 1 1 A 32 32 GLN HA H 32 3.613 3.479 0.134 1
1 296 . 5 1 1 A 32 32 GLN CB C 32 28.286 28.250 0.036 1
1 305 . 5 1 1 A 32 32 GLN C C 32 177.186 178.274 -1.088 1
1 306 . 5 1 1 A 33 33 ARG N N 33 117.852 120.438 -2.586 1
1 307 . 5 1 1 A 33 33 ARG H H 33 7.105 7.759 -0.654 1
1 308 . 5 1 1 A 33 33 ARG CA C 33 58.492 59.049 -0.557 1
1 309 . 5 1 1 A 33 33 ARG HA H 33 4.149 4.050 0.099 1
1 310 . 5 1 1 A 33 33 ARG CB C 33 30.080 29.666 0.414 1
1 319 . 5 1 1 A 33 33 ARG C C 33 178.535 179.113 -0.578 1
1 320 . 5 1 1 A 34 34 VAL N N 34 115.844 117.368 -1.524 1
1 321 . 5 1 1 A 34 34 VAL H H 34 7.971 7.839 0.132 1
1 322 . 5 1 1 A 34 34 VAL CA C 34 63.982 65.188 -1.206 1
1 323 . 5 1 1 A 34 34 VAL HA H 34 3.936 3.776 0.160 1
1 324 . 5 1 1 A 34 34 VAL CB C 34 31.159 31.176 -0.017 1
1 334 . 5 1 1 A 34 34 VAL C C 34 177.254 176.809 0.445 1
1 335 . 5 1 1 A 35 35 HIS N N 35 117.345 119.452 -2.107 1
1 336 . 5 1 1 A 35 35 HIS H H 35 7.225 7.267 -0.042 1
1 337 . 5 1 1 A 35 35 HIS CA C 35 55.058 55.814 -0.756 1
1 338 . 5 1 1 A 35 35 HIS HA H 35 4.895 4.612 0.283 1
1 339 . 5 1 1 A 35 35 HIS CB C 35 28.620 29.180 -0.560 1
1 346 . 5 1 1 A 35 35 HIS C C 35 175.716 174.907 0.809 1
1 347 . 5 1 1 A 36 36 THR N N 36 111.842 111.454 0.388 1
1 348 . 5 1 1 A 36 36 THR H H 36 7.775 7.588 0.187 1
1 349 . 5 1 1 A 36 36 THR CA C 36 62.514 60.912 1.602 1
1 350 . 5 1 1 A 36 36 THR HA H 36 4.374 4.433 -0.059 1
1 351 . 5 1 1 A 36 36 THR CB C 36 69.853 69.728 0.125 1
1 357 . 5 1 1 A 36 36 THR C C 36 175.509 174.282 1.227 1
1 358 . 5 1 1 A 37 37 GLY N N 37 110.650 111.595 -0.945 1
1 359 . 5 1 1 A 37 37 GLY H H 37 8.235 8.981 -0.746 1
1 360 . 5 1 1 A 37 37 GLY CA C 37 45.420 44.675 0.745 1
1 361 . 5 1 1 A 37 37 GLY HA2 H 37 3.960 4.221 -0.261 1
1 362 . 5 1 1 A 37 37 GLY HA3 H 37 4.040 4.221 -0.181 1
1 363 . 5 1 1 A 37 37 GLY C C 37 173.979 174.941 -0.962 1
1 364 . 5 1 1 A 38 38 GLU N N 38 120.601 121.662 -1.061 1
1 365 . 5 1 1 A 38 38 GLU H H 38 8.101 8.669 -0.568 1
1 366 . 5 1 1 A 38 38 GLU CA C 38 56.476 56.111 0.365 1
1 367 . 5 1 1 A 38 38 GLU HA H 38 4.255 4.440 -0.185 1
1 368 . 5 1 1 A 38 38 GLU CB C 38 30.561 29.191 1.370 1
1 374 . 5 1 1 A 38 38 GLU C C 38 176.212 175.538 0.674 1
1 375 . 5 1 1 A 39 39 LYS N N 39 123.814 117.677 6.137 1
1 376 . 5 1 1 A 39 39 LYS H H 39 8.413 7.566 0.847 1
1 377 . 5 1 1 A 39 39 LYS CA C 39 54.245 53.549 0.696 1
1 378 . 5 1 1 A 39 39 LYS HA H 39 4.618 4.979 -0.361 1
1 379 . 5 1 1 A 39 39 LYS CB C 39 32.519 35.477 -2.958 1
1 391 . 5 1 1 A 39 39 LYS C C 39 174.467 173.589 0.878 1
1 392 . 5 1 1 A 40 40 PRO CA C 40 63.219 62.875 0.344 1
1 393 . 5 1 1 A 40 40 PRO HA H 40 4.467 4.492 -0.025 1
1 394 . 5 1 1 A 40 40 PRO CB C 40 32.203 32.306 -0.103 1
1 403 . 5 1 1 A 40 40 PRO C C 40 173.930 176.656 -2.726 1
1 404 . 5 1 1 A 41 41 SER N N 41 116.519 117.946 -1.427 1
1 405 . 5 1 1 A 41 41 SER H H 41 8.488 8.460 0.028 1
1 406 . 5 1 1 A 41 41 SER C C 41 178.949 173.734 5.215 1
1 407 . 5 1 1 A 42 42 GLY CA C 42 44.689 44.373 0.316 1
1 408 . 5 1 1 A 42 42 GLY HA2 H 42 4.119 4.145 -0.026 1
1 409 . 5 1 1 A 42 42 GLY HA3 H 42 4.173 4.145 0.028 1
1 410 . 5 1 1 A 43 43 PRO CA C 43 63.267 62.788 0.479 1
1 411 . 5 1 1 A 43 43 PRO HA H 43 4.485 4.470 0.015 1
1 412 . 5 1 1 A 43 43 PRO CB C 43 32.227 31.806 0.421 1
1 421 . 5 1 1 A 45 45 SER CA C 45 58.370 60.589 -2.219 1
1 422 . 5 1 1 A 45 45 SER HA H 45 4.495 4.096 0.399 1
1 423 . 5 1 1 A 45 45 SER CB C 45 64.018 62.991 1.027 1
1 425 . 5 1 1 A 45 45 SER C C 45 173.890 175.678 -1.788 1
1 1 . 6 1 1 A 8 8 THR CA C 8 61.919 60.596 1.323 1
1 2 . 6 1 1 A 8 8 THR HA H 8 4.367 4.622 -0.255 1
1 3 . 6 1 1 A 8 8 THR CB C 8 69.796 70.180 -0.384 1
1 9 . 6 1 1 A 8 8 THR C C 8 175.193 174.592 0.601 1
1 10 . 6 1 1 A 9 9 GLY N N 9 111.079 116.400 -5.321 1
1 11 . 6 1 1 A 9 9 GLY H H 9 8.450 8.864 -0.414 1
1 12 . 6 1 1 A 9 9 GLY CA C 9 45.243 44.840 0.403 1
1 13 . 6 1 1 A 9 9 GLY HA2 H 9 3.956 4.009 -0.053 1
1 14 . 6 1 1 A 9 9 GLY HA3 H 9 3.956 4.017 -0.061 1
1 15 . 6 1 1 A 9 9 GLY C C 9 173.979 172.543 1.436 1
1 16 . 6 1 1 A 10 10 GLU N N 10 120.501 120.322 0.179 1
1 17 . 6 1 1 A 10 10 GLU H H 10 8.192 8.643 -0.451 1
1 18 . 6 1 1 A 10 10 GLU CA C 10 56.560 55.428 1.132 1
1 19 . 6 1 1 A 10 10 GLU HA H 10 4.198 4.674 -0.476 1
1 20 . 6 1 1 A 10 10 GLU CB C 10 30.474 30.334 0.140 1
1 26 . 6 1 1 A 10 10 GLU C C 10 176.188 175.274 0.914 1
1 27 . 6 1 1 A 11 11 LYS N N 11 122.926 126.146 -3.220 1
1 28 . 6 1 1 A 11 11 LYS H H 11 8.346 8.199 0.147 1
1 29 . 6 1 1 A 11 11 LYS CA C 11 54.399 53.130 1.269 1
1 30 . 6 1 1 A 11 11 LYS HA H 11 4.447 4.603 -0.156 1
1 31 . 6 1 1 A 11 11 LYS CB C 11 32.473 32.880 -0.407 1
1 43 . 6 1 1 A 11 11 LYS C C 11 174.709 176.212 -1.503 1
1 44 . 6 1 1 A 12 12 PRO CA C 12 64.071 63.977 0.094 1
1 45 . 6 1 1 A 12 12 PRO HA H 12 4.194 4.338 -0.144 1
1 46 . 6 1 1 A 12 12 PRO CB C 12 32.233 31.134 1.099 1
1 55 . 6 1 1 A 12 12 PRO C C 12 176.563 175.800 0.763 1
1 56 . 6 1 1 A 13 13 PHE N N 13 117.437 118.212 -0.775 1
1 57 . 6 1 1 A 13 13 PHE H H 13 7.906 7.181 0.725 1
1 58 . 6 1 1 A 13 13 PHE CA C 13 57.216 56.362 0.854 1
1 59 . 6 1 1 A 13 13 PHE HA H 13 4.733 5.370 -0.637 1
1 60 . 6 1 1 A 13 13 PHE CB C 13 38.760 43.034 -4.274 1
1 73 . 6 1 1 A 13 13 PHE C C 13 174.019 174.295 -0.276 1
1 74 . 6 1 1 A 14 14 LYS N N 14 125.906 121.954 3.952 1
1 75 . 6 1 1 A 14 14 LYS H H 14 8.558 8.777 -0.219 1
1 76 . 6 1 1 A 14 14 LYS CA C 14 55.253 55.763 -0.510 1
1 77 . 6 1 1 A 14 14 LYS HA H 14 4.753 4.749 0.004 1
1 78 . 6 1 1 A 14 14 LYS CB C 14 35.471 36.446 -0.975 1
1 90 . 6 1 1 A 14 14 LYS C C 14 175.156 174.609 0.547 1
1 91 . 6 1 1 A 15 15 CYS N N 15 128.017 124.207 3.810 1
1 92 . 6 1 1 A 15 15 CYS H H 15 9.322 9.274 0.048 1
1 93 . 6 1 1 A 15 15 CYS CA C 15 59.976 58.635 1.341 1
1 94 . 6 1 1 A 15 15 CYS HA H 15 4.451 4.751 -0.300 1
1 95 . 6 1 1 A 15 15 CYS CB C 15 29.411 28.210 1.201 1
1 98 . 6 1 1 A 15 15 CYS C C 15 177.343 176.487 0.856 1
1 99 . 6 1 1 A 16 16 GLY N N 16 120.643 114.930 5.713 1
1 100 . 6 1 1 A 16 16 GLY H H 16 9.425 8.885 0.540 1
1 101 . 6 1 1 A 16 16 GLY CA C 16 46.692 46.679 0.013 1
1 102 . 6 1 1 A 16 16 GLY HA2 H 16 3.969 3.896 0.073 1
1 103 . 6 1 1 A 16 16 GLY HA3 H 16 4.034 3.898 0.136 1
1 104 . 6 1 1 A 16 16 GLY C C 16 174.008 174.093 -0.085 1
1 105 . 6 1 1 A 17 17 GLU N N 17 121.284 117.541 3.743 1
1 106 . 6 1 1 A 17 17 GLU H H 17 8.683 7.934 0.749 1
1 107 . 6 1 1 A 17 17 GLU CA C 17 57.922 57.024 0.898 1
1 108 . 6 1 1 A 17 17 GLU HA H 17 4.295 4.485 -0.190 1
1 109 . 6 1 1 A 17 17 GLU CB C 17 29.778 32.321 -2.543 1
1 115 . 6 1 1 A 17 17 GLU C C 17 177.066 177.645 -0.579 1
1 116 . 6 1 1 A 18 18 CYS N N 18 115.033 114.559 0.474 1
1 117 . 6 1 1 A 18 18 CYS H H 18 7.942 7.567 0.375 1
1 118 . 6 1 1 A 18 18 CYS CA C 18 58.453 59.471 -1.018 1
1 119 . 6 1 1 A 18 18 CYS HA H 18 5.187 4.660 0.527 1
1 120 . 6 1 1 A 18 18 CYS CB C 18 32.524 30.074 2.450 1
1 123 . 6 1 1 A 18 18 CYS C C 18 176.135 175.462 0.673 1
1 124 . 6 1 1 A 19 19 GLY N N 19 112.484 109.937 2.547 1
1 125 . 6 1 1 A 19 19 GLY H H 19 8.139 8.277 -0.138 1
1 126 . 6 1 1 A 19 19 GLY CA C 19 46.297 45.383 0.914 1
1 127 . 6 1 1 A 19 19 GLY HA2 H 19 4.269 4.082 0.187 1
1 128 . 6 1 1 A 19 19 GLY HA3 H 19 3.800 4.093 -0.293 1
1 129 . 6 1 1 A 19 19 GLY C C 19 174.065 174.132 -0.067 1
1 130 . 6 1 1 A 20 20 LYS N N 20 123.711 119.959 3.752 1
1 131 . 6 1 1 A 20 20 LYS H H 20 8.048 7.956 0.092 1
1 132 . 6 1 1 A 20 20 LYS CA C 20 58.446 54.729 3.717 1
1 133 . 6 1 1 A 20 20 LYS HA H 20 4.045 4.574 -0.529 1
1 134 . 6 1 1 A 20 20 LYS CB C 20 33.391 34.899 -1.508 1
1 146 . 6 1 1 A 20 20 LYS C C 20 174.750 175.239 -0.489 1
1 147 . 6 1 1 A 21 21 SER N N 21 114.286 117.615 -3.329 1
1 148 . 6 1 1 A 21 21 SER H H 21 7.863 8.717 -0.854 1
1 149 . 6 1 1 A 21 21 SER CA C 21 56.933 55.879 1.054 1
1 150 . 6 1 1 A 21 21 SER HA H 21 5.398 5.556 -0.158 1
1 151 . 6 1 1 A 21 21 SER CB C 21 66.461 66.064 0.397 1
1 154 . 6 1 1 A 21 21 SER C C 21 172.635 173.328 -0.693 1
1 155 . 6 1 1 A 22 22 TYR N N 22 117.528 117.810 -0.282 1
1 156 . 6 1 1 A 22 22 TYR H H 22 8.774 8.066 0.708 1
1 157 . 6 1 1 A 22 22 TYR CA C 22 58.061 56.542 1.519 1
1 158 . 6 1 1 A 22 22 TYR HA H 22 4.750 5.013 -0.263 1
1 159 . 6 1 1 A 22 22 TYR CB C 22 44.125 43.063 1.062 1
1 170 . 6 1 1 A 22 22 TYR C C 22 174.955 175.943 -0.988 1
1 171 . 6 1 1 A 23 23 ASN N N 23 118.657 119.974 -1.317 1
1 172 . 6 1 1 A 23 23 ASN H H 23 9.444 8.777 0.667 1
1 173 . 6 1 1 A 23 23 ASN CA C 23 54.765 55.296 -0.531 1
1 174 . 6 1 1 A 23 23 ASN HA H 23 5.029 4.633 0.396 1
1 175 . 6 1 1 A 23 23 ASN CB C 23 40.282 39.824 0.458 1
1 181 . 6 1 1 A 23 23 ASN C C 23 175.004 175.606 -0.602 1
1 182 . 6 1 1 A 24 24 GLN N N 24 114.619 117.788 -3.169 1
1 183 . 6 1 1 A 24 24 GLN H H 24 7.579 7.983 -0.404 1
1 184 . 6 1 1 A 24 24 GLN CA C 24 54.151 54.779 -0.628 1
1 185 . 6 1 1 A 24 24 GLN HA H 24 4.692 4.941 -0.249 1
1 186 . 6 1 1 A 24 24 GLN CB C 24 31.829 30.720 1.109 1
1 195 . 6 1 1 A 24 24 GLN C C 24 175.731 176.447 -0.716 1
1 196 . 6 1 1 A 25 25 ARG N N 25 127.274 123.516 3.758 1
1 197 . 6 1 1 A 25 25 ARG H H 25 8.350 9.021 -0.671 1
1 198 . 6 1 1 A 25 25 ARG CA C 25 59.687 59.212 0.475 1
1 199 . 6 1 1 A 25 25 ARG HA H 25 2.879 3.532 -0.653 1
1 200 . 6 1 1 A 25 25 ARG CB C 25 29.082 30.324 -1.242 1
1 209 . 6 1 1 A 25 25 ARG C C 25 178.363 178.401 -0.038 1
1 210 . 6 1 1 A 26 26 VAL N N 26 115.093 119.542 -4.449 1
1 211 . 6 1 1 A 26 26 VAL H H 26 8.274 8.118 0.156 1
1 212 . 6 1 1 A 26 26 VAL CA C 26 64.611 64.249 0.362 1
1 213 . 6 1 1 A 26 26 VAL HA H 26 3.908 3.836 0.072 1
1 214 . 6 1 1 A 26 26 VAL CB C 26 31.070 31.562 -0.492 1
1 224 . 6 1 1 A 26 26 VAL C C 26 176.893 176.668 0.225 1
1 225 . 6 1 1 A 27 27 HIS N N 27 119.161 118.505 0.656 1
1 226 . 6 1 1 A 27 27 HIS H H 27 6.525 7.738 -1.213 1
1 227 . 6 1 1 A 27 27 HIS CA C 27 57.177 58.959 -1.782 1
1 228 . 6 1 1 A 27 27 HIS HA H 27 4.387 4.323 0.064 1
1 229 . 6 1 1 A 27 27 HIS CB C 27 31.423 30.803 0.620 1
1 236 . 6 1 1 A 27 27 HIS C C 27 178.508 177.058 1.450 1
1 237 . 6 1 1 A 28 28 LEU N N 28 121.662 121.520 0.142 1
1 238 . 6 1 1 A 28 28 LEU H H 28 7.064 7.969 -0.905 1
1 239 . 6 1 1 A 28 28 LEU CA C 28 58.041 57.697 0.344 1
1 240 . 6 1 1 A 28 28 LEU HA H 28 3.807 3.889 -0.082 1
1 241 . 6 1 1 A 28 28 LEU CB C 28 40.232 41.900 -1.668 1
1 254 . 6 1 1 A 28 28 LEU C C 28 177.776 178.124 -0.348 1
1 255 . 6 1 1 A 29 29 THR N N 29 116.331 114.109 2.222 1
1 256 . 6 1 1 A 29 29 THR H H 29 8.606 8.004 0.602 1
1 257 . 6 1 1 A 29 29 THR CA C 29 66.300 65.324 0.976 1
1 258 . 6 1 1 A 29 29 THR HA H 29 4.009 3.931 0.078 1
1 259 . 6 1 1 A 29 29 THR CB C 29 68.317 68.790 -0.473 1
1 265 . 6 1 1 A 29 29 THR C C 29 177.336 176.403 0.933 1
1 266 . 6 1 1 A 30 30 GLN N N 30 119.465 120.228 -0.763 1
1 267 . 6 1 1 A 30 30 GLN H H 30 7.838 7.860 -0.022 1
1 268 . 6 1 1 A 30 30 GLN CA C 30 58.851 57.749 1.102 1
1 269 . 6 1 1 A 30 30 GLN HA H 30 3.969 4.156 -0.187 1
1 270 . 6 1 1 A 30 30 GLN CB C 30 28.349 28.379 -0.030 1
1 279 . 6 1 1 A 30 30 GLN C C 30 178.722 177.659 1.063 1
1 280 . 6 1 1 A 31 31 HIS N N 31 119.993 121.347 -1.354 1
1 281 . 6 1 1 A 31 31 HIS H H 31 7.664 7.995 -0.331 1
1 282 . 6 1 1 A 31 31 HIS CA C 31 59.107 59.002 0.105 1
1 283 . 6 1 1 A 31 31 HIS HA H 31 4.287 4.116 0.171 1
1 284 . 6 1 1 A 31 31 HIS CB C 31 28.026 29.990 -1.964 1
1 291 . 6 1 1 A 31 31 HIS C C 31 176.251 177.083 -0.832 1
1 292 . 6 1 1 A 32 32 GLN N N 32 115.117 118.947 -3.830 1
1 293 . 6 1 1 A 32 32 GLN H H 32 8.424 8.533 -0.109 1
1 294 . 6 1 1 A 32 32 GLN CA C 32 59.472 58.933 0.539 1
1 295 . 6 1 1 A 32 32 GLN HA H 32 3.613 3.758 -0.145 1
1 296 . 6 1 1 A 32 32 GLN CB C 32 28.286 28.170 0.116 1
1 305 . 6 1 1 A 32 32 GLN C C 32 177.186 178.401 -1.215 1
1 306 . 6 1 1 A 33 33 ARG N N 33 117.852 118.580 -0.728 1
1 307 . 6 1 1 A 33 33 ARG H H 33 7.105 8.092 -0.987 1
1 308 . 6 1 1 A 33 33 ARG CA C 33 58.492 58.728 -0.236 1
1 309 . 6 1 1 A 33 33 ARG HA H 33 4.149 4.282 -0.133 1
1 310 . 6 1 1 A 33 33 ARG CB C 33 30.080 29.852 0.228 1
1 319 . 6 1 1 A 33 33 ARG C C 33 178.535 177.585 0.950 1
1 320 . 6 1 1 A 34 34 VAL N N 34 115.844 115.469 0.375 1
1 321 . 6 1 1 A 34 34 VAL H H 34 7.971 7.391 0.580 1
1 322 . 6 1 1 A 34 34 VAL CA C 34 63.982 64.709 -0.727 1
1 323 . 6 1 1 A 34 34 VAL HA H 34 3.936 3.764 0.172 1
1 324 . 6 1 1 A 34 34 VAL CB C 34 31.159 31.141 0.018 1
1 334 . 6 1 1 A 34 34 VAL C C 34 177.254 176.450 0.804 1
1 335 . 6 1 1 A 35 35 HIS N N 35 117.345 119.218 -1.873 1
1 336 . 6 1 1 A 35 35 HIS H H 35 7.225 7.496 -0.271 1
1 337 . 6 1 1 A 35 35 HIS CA C 35 55.058 57.410 -2.352 1
1 338 . 6 1 1 A 35 35 HIS HA H 35 4.895 4.514 0.381 1
1 339 . 6 1 1 A 35 35 HIS CB C 35 28.620 31.354 -2.734 1
1 346 . 6 1 1 A 35 35 HIS C C 35 175.716 175.750 -0.034 1
1 347 . 6 1 1 A 36 36 THR N N 36 111.842 106.407 5.435 1
1 348 . 6 1 1 A 36 36 THR H H 36 7.775 7.507 0.268 1
1 349 . 6 1 1 A 36 36 THR CA C 36 62.514 60.718 1.796 1
1 350 . 6 1 1 A 36 36 THR HA H 36 4.374 4.541 -0.167 1
1 351 . 6 1 1 A 36 36 THR CB C 36 69.853 69.369 0.484 1
1 357 . 6 1 1 A 36 36 THR C C 36 175.509 174.828 0.681 1
1 358 . 6 1 1 A 37 37 GLY N N 37 110.650 113.692 -3.042 1
1 359 . 6 1 1 A 37 37 GLY H H 37 8.235 8.941 -0.706 1
1 360 . 6 1 1 A 37 37 GLY CA C 37 45.420 45.808 -0.388 1
1 361 . 6 1 1 A 37 37 GLY HA2 H 37 3.960 3.799 0.161 1
1 362 . 6 1 1 A 37 37 GLY HA3 H 37 4.040 3.799 0.241 1
1 363 . 6 1 1 A 37 37 GLY C C 37 173.979 173.220 0.759 1
1 364 . 6 1 1 A 38 38 GLU N N 38 120.601 121.652 -1.051 1
1 365 . 6 1 1 A 38 38 GLU H H 38 8.101 8.507 -0.406 1
1 366 . 6 1 1 A 38 38 GLU CA C 38 56.476 54.703 1.773 1
1 367 . 6 1 1 A 38 38 GLU HA H 38 4.255 4.927 -0.672 1
1 368 . 6 1 1 A 38 38 GLU CB C 38 30.561 32.681 -2.120 1
1 374 . 6 1 1 A 38 38 GLU C C 38 176.212 175.442 0.770 1
1 375 . 6 1 1 A 39 39 LYS N N 39 123.814 124.218 -0.404 1
1 376 . 6 1 1 A 39 39 LYS H H 39 8.413 8.326 0.087 1
1 377 . 6 1 1 A 39 39 LYS CA C 39 54.245 55.382 -1.137 1
1 378 . 6 1 1 A 39 39 LYS HA H 39 4.618 4.237 0.381 1
1 379 . 6 1 1 A 39 39 LYS CB C 39 32.519 32.380 0.139 1
1 391 . 6 1 1 A 39 39 LYS C C 39 174.467 175.961 -1.494 1
1 392 . 6 1 1 A 40 40 PRO CA C 40 63.219 62.885 0.334 1
1 393 . 6 1 1 A 40 40 PRO HA H 40 4.467 4.484 -0.017 1
1 394 . 6 1 1 A 40 40 PRO CB C 40 32.203 31.989 0.214 1
1 403 . 6 1 1 A 40 40 PRO C C 40 173.930 176.907 -2.977 1
1 404 . 6 1 1 A 41 41 SER N N 41 116.519 118.299 -1.780 1
1 405 . 6 1 1 A 41 41 SER H H 41 8.488 8.422 0.066 1
1 406 . 6 1 1 A 41 41 SER C C 41 178.949 174.794 4.155 1
1 407 . 6 1 1 A 42 42 GLY CA C 42 44.689 44.016 0.673 1
1 408 . 6 1 1 A 42 42 GLY HA2 H 42 4.119 4.151 -0.032 1
1 409 . 6 1 1 A 42 42 GLY HA3 H 42 4.173 4.152 0.021 1
1 410 . 6 1 1 A 43 43 PRO CA C 43 63.267 64.304 -1.037 1
1 411 . 6 1 1 A 43 43 PRO HA H 43 4.485 4.438 0.047 1
1 412 . 6 1 1 A 43 43 PRO CB C 43 32.227 31.741 0.486 1
1 421 . 6 1 1 A 45 45 SER CA C 45 58.370 62.751 -4.381 1
1 422 . 6 1 1 A 45 45 SER HA H 45 4.495 4.050 0.445 1
1 423 . 6 1 1 A 45 45 SER CB C 45 64.018 62.494 1.524 1
1 425 . 6 1 1 A 45 45 SER C C 45 173.890 176.724 -2.834 1
1 1 . 7 1 1 A 8 8 THR CA C 8 61.919 62.238 -0.319 1
1 2 . 7 1 1 A 8 8 THR HA H 8 4.367 4.532 -0.165 1
1 3 . 7 1 1 A 8 8 THR CB C 8 69.796 69.887 -0.091 1
1 9 . 7 1 1 A 8 8 THR C C 8 175.193 175.152 0.041 1
1 10 . 7 1 1 A 9 9 GLY N N 9 111.079 108.513 2.566 1
1 11 . 7 1 1 A 9 9 GLY H H 9 8.450 7.377 1.073 1
1 12 . 7 1 1 A 9 9 GLY CA C 9 45.243 45.746 -0.503 1
1 13 . 7 1 1 A 9 9 GLY HA2 H 9 3.956 4.003 -0.047 1
1 14 . 7 1 1 A 9 9 GLY HA3 H 9 3.956 4.003 -0.047 1
1 15 . 7 1 1 A 9 9 GLY C C 9 173.979 171.483 2.496 1
1 16 . 7 1 1 A 10 10 GLU N N 10 120.501 121.246 -0.745 1
1 17 . 7 1 1 A 10 10 GLU H H 10 8.192 8.503 -0.311 1
1 18 . 7 1 1 A 10 10 GLU CA C 10 56.560 54.710 1.850 1
1 19 . 7 1 1 A 10 10 GLU HA H 10 4.198 5.098 -0.900 1
1 20 . 7 1 1 A 10 10 GLU CB C 10 30.474 32.144 -1.670 1
1 26 . 7 1 1 A 10 10 GLU C C 10 176.188 175.868 0.320 1
1 27 . 7 1 1 A 11 11 LYS N N 11 122.926 126.499 -3.573 1
1 28 . 7 1 1 A 11 11 LYS H H 11 8.346 8.757 -0.411 1
1 29 . 7 1 1 A 11 11 LYS CA C 11 54.399 54.228 0.171 1
1 30 . 7 1 1 A 11 11 LYS HA H 11 4.447 4.430 0.017 1
1 31 . 7 1 1 A 11 11 LYS CB C 11 32.473 31.909 0.564 1
1 43 . 7 1 1 A 11 11 LYS C C 11 174.709 176.374 -1.665 1
1 44 . 7 1 1 A 12 12 PRO CA C 12 64.071 63.837 0.234 1
1 45 . 7 1 1 A 12 12 PRO HA H 12 4.194 4.232 -0.038 1
1 46 . 7 1 1 A 12 12 PRO CB C 12 32.233 31.063 1.170 1
1 55 . 7 1 1 A 12 12 PRO C C 12 176.563 175.644 0.919 1
1 56 . 7 1 1 A 13 13 PHE N N 13 117.437 118.395 -0.958 1
1 57 . 7 1 1 A 13 13 PHE H H 13 7.906 7.299 0.607 1
1 58 . 7 1 1 A 13 13 PHE CA C 13 57.216 56.477 0.739 1
1 59 . 7 1 1 A 13 13 PHE HA H 13 4.733 5.364 -0.631 1
1 60 . 7 1 1 A 13 13 PHE CB C 13 38.760 43.749 -4.989 1
1 73 . 7 1 1 A 13 13 PHE C C 13 174.019 174.180 -0.161 1
1 74 . 7 1 1 A 14 14 LYS N N 14 125.906 121.527 4.379 1
1 75 . 7 1 1 A 14 14 LYS H H 14 8.558 8.772 -0.214 1
1 76 . 7 1 1 A 14 14 LYS CA C 14 55.253 55.847 -0.594 1
1 77 . 7 1 1 A 14 14 LYS HA H 14 4.753 4.800 -0.047 1
1 78 . 7 1 1 A 14 14 LYS CB C 14 35.471 36.761 -1.290 1
1 90 . 7 1 1 A 14 14 LYS C C 14 175.156 174.366 0.790 1
1 91 . 7 1 1 A 15 15 CYS N N 15 128.017 123.988 4.029 1
1 92 . 7 1 1 A 15 15 CYS H H 15 9.322 8.853 0.469 1
1 93 . 7 1 1 A 15 15 CYS CA C 15 59.976 57.933 2.043 1
1 94 . 7 1 1 A 15 15 CYS HA H 15 4.451 4.809 -0.358 1
1 95 . 7 1 1 A 15 15 CYS CB C 15 29.411 29.411 0.000 1
1 98 . 7 1 1 A 15 15 CYS C C 15 177.343 176.044 1.299 1
1 99 . 7 1 1 A 16 16 GLY N N 16 120.643 115.134 5.509 1
1 100 . 7 1 1 A 16 16 GLY H H 16 9.425 8.836 0.589 1
1 101 . 7 1 1 A 16 16 GLY CA C 16 46.692 46.346 0.346 1
1 102 . 7 1 1 A 16 16 GLY HA2 H 16 3.969 3.923 0.046 1
1 103 . 7 1 1 A 16 16 GLY HA3 H 16 4.034 3.924 0.110 1
1 104 . 7 1 1 A 16 16 GLY C C 16 174.008 174.195 -0.187 1
1 105 . 7 1 1 A 17 17 GLU N N 17 121.284 117.315 3.969 1
1 106 . 7 1 1 A 17 17 GLU H H 17 8.683 7.415 1.268 1
1 107 . 7 1 1 A 17 17 GLU CA C 17 57.922 56.812 1.110 1
1 108 . 7 1 1 A 17 17 GLU HA H 17 4.295 4.417 -0.122 1
1 109 . 7 1 1 A 17 17 GLU CB C 17 29.778 32.093 -2.315 1
1 115 . 7 1 1 A 17 17 GLU C C 17 177.066 177.668 -0.602 1
1 116 . 7 1 1 A 18 18 CYS N N 18 115.033 114.632 0.401 1
1 117 . 7 1 1 A 18 18 CYS H H 18 7.942 7.586 0.356 1
1 118 . 7 1 1 A 18 18 CYS CA C 18 58.453 59.265 -0.812 1
1 119 . 7 1 1 A 18 18 CYS HA H 18 5.187 4.657 0.530 1
1 120 . 7 1 1 A 18 18 CYS CB C 18 32.524 30.329 2.195 1
1 123 . 7 1 1 A 18 18 CYS C C 18 176.135 175.491 0.644 1
1 124 . 7 1 1 A 19 19 GLY N N 19 112.484 110.214 2.270 1
1 125 . 7 1 1 A 19 19 GLY H H 19 8.139 8.158 -0.019 1
1 126 . 7 1 1 A 19 19 GLY CA C 19 46.297 45.231 1.066 1
1 127 . 7 1 1 A 19 19 GLY HA2 H 19 4.269 4.068 0.201 1
1 128 . 7 1 1 A 19 19 GLY HA3 H 19 3.800 4.078 -0.278 1
1 129 . 7 1 1 A 19 19 GLY C C 19 174.065 174.158 -0.093 1
1 130 . 7 1 1 A 20 20 LYS N N 20 123.711 119.936 3.775 1
1 131 . 7 1 1 A 20 20 LYS H H 20 8.048 7.933 0.115 1
1 132 . 7 1 1 A 20 20 LYS CA C 20 58.446 54.945 3.501 1
1 133 . 7 1 1 A 20 20 LYS HA H 20 4.045 4.368 -0.323 1
1 134 . 7 1 1 A 20 20 LYS CB C 20 33.391 34.056 -0.665 1
1 146 . 7 1 1 A 20 20 LYS C C 20 174.750 175.432 -0.682 1
1 147 . 7 1 1 A 21 21 SER N N 21 114.286 117.616 -3.330 1
1 148 . 7 1 1 A 21 21 SER H H 21 7.863 8.570 -0.707 1
1 149 . 7 1 1 A 21 21 SER CA C 21 56.933 55.946 0.987 1
1 150 . 7 1 1 A 21 21 SER HA H 21 5.398 5.456 -0.058 1
1 151 . 7 1 1 A 21 21 SER CB C 21 66.461 65.995 0.466 1
1 154 . 7 1 1 A 21 21 SER C C 21 172.635 173.317 -0.682 1
1 155 . 7 1 1 A 22 22 TYR N N 22 117.528 118.081 -0.553 1
1 156 . 7 1 1 A 22 22 TYR H H 22 8.774 8.042 0.732 1
1 157 . 7 1 1 A 22 22 TYR CA C 22 58.061 56.442 1.619 1
1 158 . 7 1 1 A 22 22 TYR HA H 22 4.750 5.023 -0.273 1
1 159 . 7 1 1 A 22 22 TYR CB C 22 44.125 43.063 1.062 1
1 170 . 7 1 1 A 22 22 TYR C C 22 174.955 175.892 -0.937 1
1 171 . 7 1 1 A 23 23 ASN N N 23 118.657 120.669 -2.012 1
1 172 . 7 1 1 A 23 23 ASN H H 23 9.444 9.264 0.180 1
1 173 . 7 1 1 A 23 23 ASN CA C 23 54.765 54.262 0.503 1
1 174 . 7 1 1 A 23 23 ASN HA H 23 5.029 4.811 0.218 1
1 175 . 7 1 1 A 23 23 ASN CB C 23 40.282 39.199 1.083 1
1 181 . 7 1 1 A 23 23 ASN C C 23 175.004 175.127 -0.123 1
1 182 . 7 1 1 A 24 24 GLN N N 24 114.619 117.863 -3.244 1
1 183 . 7 1 1 A 24 24 GLN H H 24 7.579 7.802 -0.223 1
1 184 . 7 1 1 A 24 24 GLN CA C 24 54.151 54.891 -0.740 1
1 185 . 7 1 1 A 24 24 GLN HA H 24 4.692 4.868 -0.176 1
1 186 . 7 1 1 A 24 24 GLN CB C 24 31.829 30.890 0.939 1
1 195 . 7 1 1 A 24 24 GLN C C 24 175.731 175.682 0.049 1
1 196 . 7 1 1 A 25 25 ARG N N 25 127.274 124.089 3.185 1
1 197 . 7 1 1 A 25 25 ARG H H 25 8.350 8.472 -0.122 1
1 198 . 7 1 1 A 25 25 ARG CA C 25 59.687 58.249 1.438 1
1 199 . 7 1 1 A 25 25 ARG HA H 25 2.879 3.079 -0.200 1
1 200 . 7 1 1 A 25 25 ARG CB C 25 29.082 28.865 0.217 1
1 209 . 7 1 1 A 25 25 ARG C C 25 178.363 177.856 0.507 1
1 210 . 7 1 1 A 26 26 VAL N N 26 115.093 118.944 -3.851 1
1 211 . 7 1 1 A 26 26 VAL H H 26 8.274 7.936 0.338 1
1 212 . 7 1 1 A 26 26 VAL CA C 26 64.611 65.175 -0.564 1
1 213 . 7 1 1 A 26 26 VAL HA H 26 3.908 3.617 0.291 1
1 214 . 7 1 1 A 26 26 VAL CB C 26 31.070 30.982 0.088 1
1 224 . 7 1 1 A 26 26 VAL C C 26 176.893 177.619 -0.726 1
1 225 . 7 1 1 A 27 27 HIS N N 27 119.161 119.895 -0.734 1
1 226 . 7 1 1 A 27 27 HIS H H 27 6.525 7.407 -0.882 1
1 227 . 7 1 1 A 27 27 HIS CA C 27 57.177 59.871 -2.694 1
1 228 . 7 1 1 A 27 27 HIS HA H 27 4.387 4.077 0.310 1
1 229 . 7 1 1 A 27 27 HIS CB C 27 31.423 30.479 0.944 1
1 236 . 7 1 1 A 27 27 HIS C C 27 178.508 177.479 1.029 1
1 237 . 7 1 1 A 28 28 LEU N N 28 121.662 120.817 0.845 1
1 238 . 7 1 1 A 28 28 LEU H H 28 7.064 7.761 -0.697 1
1 239 . 7 1 1 A 28 28 LEU CA C 28 58.041 58.067 -0.026 1
1 240 . 7 1 1 A 28 28 LEU HA H 28 3.807 3.890 -0.083 1
1 241 . 7 1 1 A 28 28 LEU CB C 28 40.232 42.009 -1.777 1
1 254 . 7 1 1 A 28 28 LEU C C 28 177.776 178.420 -0.644 1
1 255 . 7 1 1 A 29 29 THR N N 29 116.331 114.047 2.284 1
1 256 . 7 1 1 A 29 29 THR H H 29 8.606 8.159 0.447 1
1 257 . 7 1 1 A 29 29 THR CA C 29 66.300 65.570 0.730 1
1 258 . 7 1 1 A 29 29 THR HA H 29 4.009 3.799 0.210 1
1 259 . 7 1 1 A 29 29 THR CB C 29 68.317 68.891 -0.574 1
1 265 . 7 1 1 A 29 29 THR C C 29 177.336 176.910 0.426 1
1 266 . 7 1 1 A 30 30 GLN N N 30 119.465 120.528 -1.063 1
1 267 . 7 1 1 A 30 30 GLN H H 30 7.838 7.478 0.360 1
1 268 . 7 1 1 A 30 30 GLN CA C 30 58.851 58.672 0.179 1
1 269 . 7 1 1 A 30 30 GLN HA H 30 3.969 4.063 -0.094 1
1 270 . 7 1 1 A 30 30 GLN CB C 30 28.349 28.446 -0.097 1
1 279 . 7 1 1 A 30 30 GLN C C 30 178.722 178.182 0.540 1
1 280 . 7 1 1 A 31 31 HIS N N 31 119.993 120.875 -0.882 1
1 281 . 7 1 1 A 31 31 HIS H H 31 7.664 7.947 -0.283 1
1 282 . 7 1 1 A 31 31 HIS CA C 31 59.107 59.987 -0.880 1
1 283 . 7 1 1 A 31 31 HIS HA H 31 4.287 4.129 0.158 1
1 284 . 7 1 1 A 31 31 HIS CB C 31 28.026 29.555 -1.529 1
1 291 . 7 1 1 A 31 31 HIS C C 31 176.251 177.328 -1.077 1
1 292 . 7 1 1 A 32 32 GLN N N 32 115.117 118.229 -3.112 1
1 293 . 7 1 1 A 32 32 GLN H H 32 8.424 8.327 0.097 1
1 294 . 7 1 1 A 32 32 GLN CA C 32 59.472 58.210 1.262 1
1 295 . 7 1 1 A 32 32 GLN HA H 32 3.613 3.822 -0.209 1
1 296 . 7 1 1 A 32 32 GLN CB C 32 28.286 28.413 -0.127 1
1 305 . 7 1 1 A 32 32 GLN C C 32 177.186 178.010 -0.824 1
1 306 . 7 1 1 A 33 33 ARG N N 33 117.852 119.351 -1.499 1
1 307 . 7 1 1 A 33 33 ARG H H 33 7.105 7.631 -0.526 1
1 308 . 7 1 1 A 33 33 ARG CA C 33 58.492 58.527 -0.035 1
1 309 . 7 1 1 A 33 33 ARG HA H 33 4.149 4.015 0.134 1
1 310 . 7 1 1 A 33 33 ARG CB C 33 30.080 29.819 0.261 1
1 319 . 7 1 1 A 33 33 ARG C C 33 178.535 178.386 0.149 1
1 320 . 7 1 1 A 34 34 VAL N N 34 115.844 116.883 -1.039 1
1 321 . 7 1 1 A 34 34 VAL H H 34 7.971 7.349 0.622 1
1 322 . 7 1 1 A 34 34 VAL CA C 34 63.982 64.410 -0.428 1
1 323 . 7 1 1 A 34 34 VAL HA H 34 3.936 3.914 0.022 1
1 324 . 7 1 1 A 34 34 VAL CB C 34 31.159 31.172 -0.013 1
1 334 . 7 1 1 A 34 34 VAL C C 34 177.254 176.351 0.903 1
1 335 . 7 1 1 A 35 35 HIS N N 35 117.345 118.570 -1.225 1
1 336 . 7 1 1 A 35 35 HIS H H 35 7.225 7.773 -0.548 1
1 337 . 7 1 1 A 35 35 HIS CA C 35 55.058 56.941 -1.883 1
1 338 . 7 1 1 A 35 35 HIS HA H 35 4.895 4.729 0.166 1
1 339 . 7 1 1 A 35 35 HIS CB C 35 28.620 31.986 -3.366 1
1 346 . 7 1 1 A 35 35 HIS C C 35 175.716 175.227 0.489 1
1 347 . 7 1 1 A 36 36 THR N N 36 111.842 112.890 -1.048 1
1 348 . 7 1 1 A 36 36 THR H H 36 7.775 7.607 0.168 1
1 349 . 7 1 1 A 36 36 THR CA C 36 62.514 60.007 2.507 1
1 350 . 7 1 1 A 36 36 THR HA H 36 4.374 4.659 -0.285 1
1 351 . 7 1 1 A 36 36 THR CB C 36 69.853 70.280 -0.427 1
1 357 . 7 1 1 A 36 36 THR C C 36 175.509 173.243 2.266 1
1 358 . 7 1 1 A 37 37 GLY N N 37 110.650 114.249 -3.599 1
1 359 . 7 1 1 A 37 37 GLY H H 37 8.235 8.339 -0.104 1
1 360 . 7 1 1 A 37 37 GLY CA C 37 45.420 46.165 -0.745 1
1 361 . 7 1 1 A 37 37 GLY HA2 H 37 3.960 4.082 -0.122 1
1 362 . 7 1 1 A 37 37 GLY HA3 H 37 4.040 4.089 -0.049 1
1 363 . 7 1 1 A 37 37 GLY C C 37 173.979 173.637 0.342 1
1 364 . 7 1 1 A 38 38 GLU N N 38 120.601 123.539 -2.938 1
1 365 . 7 1 1 A 38 38 GLU H H 38 8.101 8.722 -0.621 1
1 366 . 7 1 1 A 38 38 GLU CA C 38 56.476 57.335 -0.859 1
1 367 . 7 1 1 A 38 38 GLU HA H 38 4.255 3.922 0.333 1
1 368 . 7 1 1 A 38 38 GLU CB C 38 30.561 28.386 2.175 1
1 374 . 7 1 1 A 38 38 GLU C C 38 176.212 175.090 1.122 1
1 375 . 7 1 1 A 39 39 LYS N N 39 123.814 114.873 8.941 1
1 376 . 7 1 1 A 39 39 LYS H H 39 8.413 7.506 0.907 1
1 377 . 7 1 1 A 39 39 LYS CA C 39 54.245 53.963 0.282 1
1 378 . 7 1 1 A 39 39 LYS HA H 39 4.618 4.862 -0.244 1
1 379 . 7 1 1 A 39 39 LYS CB C 39 32.519 35.259 -2.740 1
1 391 . 7 1 1 A 39 39 LYS C C 39 174.467 173.408 1.059 1
1 392 . 7 1 1 A 40 40 PRO CA C 40 63.219 62.733 0.486 1
1 393 . 7 1 1 A 40 40 PRO HA H 40 4.467 4.715 -0.248 1
1 394 . 7 1 1 A 40 40 PRO CB C 40 32.203 32.529 -0.326 1
1 403 . 7 1 1 A 40 40 PRO C C 40 173.930 175.721 -1.791 1
1 404 . 7 1 1 A 41 41 SER N N 41 116.519 116.413 0.106 1
1 405 . 7 1 1 A 41 41 SER H H 41 8.488 8.547 -0.059 1
1 406 . 7 1 1 A 41 41 SER C C 41 178.949 173.585 5.364 1
1 407 . 7 1 1 A 42 42 GLY CA C 42 44.689 45.553 -0.864 1
1 408 . 7 1 1 A 42 42 GLY HA2 H 42 4.119 4.045 0.074 1
1 409 . 7 1 1 A 42 42 GLY HA3 H 42 4.173 4.045 0.128 1
1 410 . 7 1 1 A 43 43 PRO CA C 43 63.267 62.389 0.878 1
1 411 . 7 1 1 A 43 43 PRO HA H 43 4.485 4.766 -0.281 1
1 412 . 7 1 1 A 43 43 PRO CB C 43 32.227 29.540 2.687 1
1 421 . 7 1 1 A 45 45 SER CA C 45 58.370 56.271 2.099 1
1 422 . 7 1 1 A 45 45 SER HA H 45 4.495 5.033 -0.538 1
1 423 . 7 1 1 A 45 45 SER CB C 45 64.018 65.438 -1.420 1
1 425 . 7 1 1 A 45 45 SER C C 45 173.890 174.114 -0.224 1
1 1 . 8 1 1 A 8 8 THR CA C 8 61.919 64.093 -2.174 1
1 2 . 8 1 1 A 8 8 THR HA H 8 4.367 4.083 0.284 1
1 3 . 8 1 1 A 8 8 THR CB C 8 69.796 68.931 0.865 1
1 9 . 8 1 1 A 8 8 THR C C 8 175.193 174.503 0.690 1
1 10 . 8 1 1 A 9 9 GLY N N 9 111.079 114.572 -3.493 1
1 11 . 8 1 1 A 9 9 GLY H H 9 8.450 8.661 -0.211 1
1 12 . 8 1 1 A 9 9 GLY CA C 9 45.243 45.087 0.156 1
1 13 . 8 1 1 A 9 9 GLY HA2 H 9 3.956 4.035 -0.079 1
1 14 . 8 1 1 A 9 9 GLY HA3 H 9 3.956 4.038 -0.082 1
1 15 . 8 1 1 A 9 9 GLY C C 9 173.979 174.202 -0.223 1
1 16 . 8 1 1 A 10 10 GLU N N 10 120.501 122.215 -1.714 1
1 17 . 8 1 1 A 10 10 GLU H H 10 8.192 8.748 -0.556 1
1 18 . 8 1 1 A 10 10 GLU CA C 10 56.560 56.123 0.437 1
1 19 . 8 1 1 A 10 10 GLU HA H 10 4.198 4.554 -0.356 1
1 20 . 8 1 1 A 10 10 GLU CB C 10 30.474 29.771 0.703 1
1 26 . 8 1 1 A 10 10 GLU C C 10 176.188 176.603 -0.415 1
1 27 . 8 1 1 A 11 11 LYS N N 11 122.926 120.628 2.298 1
1 28 . 8 1 1 A 11 11 LYS H H 11 8.346 7.338 1.008 1
1 29 . 8 1 1 A 11 11 LYS CA C 11 54.399 53.875 0.524 1
1 30 . 8 1 1 A 11 11 LYS HA H 11 4.447 4.453 -0.006 1
1 31 . 8 1 1 A 11 11 LYS CB C 11 32.473 31.809 0.664 1
1 43 . 8 1 1 A 11 11 LYS C C 11 174.709 176.418 -1.709 1
1 44 . 8 1 1 A 12 12 PRO CA C 12 64.071 63.743 0.328 1
1 45 . 8 1 1 A 12 12 PRO HA H 12 4.194 4.170 0.024 1
1 46 . 8 1 1 A 12 12 PRO CB C 12 32.233 31.097 1.136 1
1 55 . 8 1 1 A 12 12 PRO C C 12 176.563 175.605 0.958 1
1 56 . 8 1 1 A 13 13 PHE N N 13 117.437 118.378 -0.941 1
1 57 . 8 1 1 A 13 13 PHE H H 13 7.906 7.428 0.478 1
1 58 . 8 1 1 A 13 13 PHE CA C 13 57.216 56.230 0.986 1
1 59 . 8 1 1 A 13 13 PHE HA H 13 4.733 5.346 -0.613 1
1 60 . 8 1 1 A 13 13 PHE CB C 13 38.760 43.645 -4.885 1
1 73 . 8 1 1 A 13 13 PHE C C 13 174.019 174.145 -0.126 1
1 74 . 8 1 1 A 14 14 LYS N N 14 125.906 122.087 3.819 1
1 75 . 8 1 1 A 14 14 LYS H H 14 8.558 8.848 -0.290 1
1 76 . 8 1 1 A 14 14 LYS CA C 14 55.253 55.677 -0.424 1
1 77 . 8 1 1 A 14 14 LYS HA H 14 4.753 4.824 -0.071 1
1 78 . 8 1 1 A 14 14 LYS CB C 14 35.471 36.545 -1.074 1
1 90 . 8 1 1 A 14 14 LYS C C 14 175.156 174.431 0.725 1
1 91 . 8 1 1 A 15 15 CYS N N 15 128.017 124.041 3.976 1
1 92 . 8 1 1 A 15 15 CYS H H 15 9.322 9.302 0.020 1
1 93 . 8 1 1 A 15 15 CYS CA C 15 59.976 58.177 1.799 1
1 94 . 8 1 1 A 15 15 CYS HA H 15 4.451 4.822 -0.371 1
1 95 . 8 1 1 A 15 15 CYS CB C 15 29.411 29.167 0.244 1
1 98 . 8 1 1 A 15 15 CYS C C 15 177.343 176.276 1.067 1
1 99 . 8 1 1 A 16 16 GLY N N 16 120.643 114.559 6.084 1
1 100 . 8 1 1 A 16 16 GLY H H 16 9.425 8.873 0.552 1
1 101 . 8 1 1 A 16 16 GLY CA C 16 46.692 46.550 0.142 1
1 102 . 8 1 1 A 16 16 GLY HA2 H 16 3.969 3.919 0.050 1
1 103 . 8 1 1 A 16 16 GLY HA3 H 16 4.034 3.922 0.112 1
1 104 . 8 1 1 A 16 16 GLY C C 16 174.008 174.190 -0.182 1
1 105 . 8 1 1 A 17 17 GLU N N 17 121.284 117.480 3.804 1
1 106 . 8 1 1 A 17 17 GLU H H 17 8.683 7.435 1.248 1
1 107 . 8 1 1 A 17 17 GLU CA C 17 57.922 56.963 0.959 1
1 108 . 8 1 1 A 17 17 GLU HA H 17 4.295 4.440 -0.145 1
1 109 . 8 1 1 A 17 17 GLU CB C 17 29.778 31.798 -2.020 1
1 115 . 8 1 1 A 17 17 GLU C C 17 177.066 177.658 -0.592 1
1 116 . 8 1 1 A 18 18 CYS N N 18 115.033 114.722 0.311 1
1 117 . 8 1 1 A 18 18 CYS H H 18 7.942 7.578 0.364 1
1 118 . 8 1 1 A 18 18 CYS CA C 18 58.453 59.460 -1.007 1
1 119 . 8 1 1 A 18 18 CYS HA H 18 5.187 4.663 0.524 1
1 120 . 8 1 1 A 18 18 CYS CB C 18 32.524 29.977 2.547 1
1 123 . 8 1 1 A 18 18 CYS C C 18 176.135 175.463 0.672 1
1 124 . 8 1 1 A 19 19 GLY N N 19 112.484 109.924 2.560 1
1 125 . 8 1 1 A 19 19 GLY H H 19 8.139 8.153 -0.014 1
1 126 . 8 1 1 A 19 19 GLY CA C 19 46.297 45.529 0.768 1
1 127 . 8 1 1 A 19 19 GLY HA2 H 19 4.269 4.074 0.195 1
1 128 . 8 1 1 A 19 19 GLY HA3 H 19 3.800 4.085 -0.285 1
1 129 . 8 1 1 A 19 19 GLY C C 19 174.065 174.128 -0.063 1
1 130 . 8 1 1 A 20 20 LYS N N 20 123.711 119.949 3.762 1
1 131 . 8 1 1 A 20 20 LYS H H 20 8.048 7.927 0.121 1
1 132 . 8 1 1 A 20 20 LYS CA C 20 58.446 54.614 3.832 1
1 133 . 8 1 1 A 20 20 LYS HA H 20 4.045 4.603 -0.558 1
1 134 . 8 1 1 A 20 20 LYS CB C 20 33.391 35.038 -1.647 1
1 146 . 8 1 1 A 20 20 LYS C C 20 174.750 175.082 -0.332 1
1 147 . 8 1 1 A 21 21 SER N N 21 114.286 117.209 -2.923 1
1 148 . 8 1 1 A 21 21 SER H H 21 7.863 8.709 -0.846 1
1 149 . 8 1 1 A 21 21 SER CA C 21 56.933 56.007 0.926 1
1 150 . 8 1 1 A 21 21 SER HA H 21 5.398 5.604 -0.206 1
1 151 . 8 1 1 A 21 21 SER CB C 21 66.461 66.295 0.166 1
1 154 . 8 1 1 A 21 21 SER C C 21 172.635 173.267 -0.632 1
1 155 . 8 1 1 A 22 22 TYR N N 22 117.528 118.513 -0.985 1
1 156 . 8 1 1 A 22 22 TYR H H 22 8.774 8.410 0.364 1
1 157 . 8 1 1 A 22 22 TYR CA C 22 58.061 56.550 1.511 1
1 158 . 8 1 1 A 22 22 TYR HA H 22 4.750 5.067 -0.317 1
1 159 . 8 1 1 A 22 22 TYR CB C 22 44.125 41.553 2.572 1
1 170 . 8 1 1 A 22 22 TYR C C 22 174.955 176.208 -1.253 1
1 171 . 8 1 1 A 23 23 ASN N N 23 118.657 121.954 -3.297 1
1 172 . 8 1 1 A 23 23 ASN H H 23 9.444 9.100 0.344 1
1 173 . 8 1 1 A 23 23 ASN CA C 23 54.765 55.494 -0.729 1
1 174 . 8 1 1 A 23 23 ASN HA H 23 5.029 4.630 0.399 1
1 175 . 8 1 1 A 23 23 ASN CB C 23 40.282 37.859 2.423 1
1 181 . 8 1 1 A 23 23 ASN C C 23 175.004 175.823 -0.819 1
1 182 . 8 1 1 A 24 24 GLN N N 24 114.619 119.237 -4.618 1
1 183 . 8 1 1 A 24 24 GLN H H 24 7.579 8.081 -0.502 1
1 184 . 8 1 1 A 24 24 GLN CA C 24 54.151 55.053 -0.902 1
1 185 . 8 1 1 A 24 24 GLN HA H 24 4.692 4.835 -0.143 1
1 186 . 8 1 1 A 24 24 GLN CB C 24 31.829 30.759 1.070 1
1 195 . 8 1 1 A 24 24 GLN C C 24 175.731 176.364 -0.633 1
1 196 . 8 1 1 A 25 25 ARG N N 25 127.274 124.028 3.246 1
1 197 . 8 1 1 A 25 25 ARG H H 25 8.350 8.527 -0.177 1
1 198 . 8 1 1 A 25 25 ARG CA C 25 59.687 58.338 1.349 1
1 199 . 8 1 1 A 25 25 ARG HA H 25 2.879 3.160 -0.281 1
1 200 . 8 1 1 A 25 25 ARG CB C 25 29.082 28.844 0.238 1
1 209 . 8 1 1 A 25 25 ARG C C 25 178.363 177.905 0.458 1
1 210 . 8 1 1 A 26 26 VAL N N 26 115.093 118.738 -3.645 1
1 211 . 8 1 1 A 26 26 VAL H H 26 8.274 7.982 0.292 1
1 212 . 8 1 1 A 26 26 VAL CA C 26 64.611 64.543 0.068 1
1 213 . 8 1 1 A 26 26 VAL HA H 26 3.908 3.805 0.103 1
1 214 . 8 1 1 A 26 26 VAL CB C 26 31.070 31.476 -0.406 1
1 224 . 8 1 1 A 26 26 VAL C C 26 176.893 177.154 -0.261 1
1 225 . 8 1 1 A 27 27 HIS N N 27 119.161 118.110 1.051 1
1 226 . 8 1 1 A 27 27 HIS H H 27 6.525 7.727 -1.202 1
1 227 . 8 1 1 A 27 27 HIS CA C 27 57.177 59.378 -2.201 1
1 228 . 8 1 1 A 27 27 HIS HA H 27 4.387 4.345 0.042 1
1 229 . 8 1 1 A 27 27 HIS CB C 27 31.423 29.694 1.729 1
1 236 . 8 1 1 A 27 27 HIS C C 27 178.508 176.980 1.528 1
1 237 . 8 1 1 A 28 28 LEU N N 28 121.662 121.616 0.046 1
1 238 . 8 1 1 A 28 28 LEU H H 28 7.064 7.999 -0.935 1
1 239 . 8 1 1 A 28 28 LEU CA C 28 58.041 57.329 0.712 1
1 240 . 8 1 1 A 28 28 LEU HA H 28 3.807 3.455 0.352 1
1 241 . 8 1 1 A 28 28 LEU CB C 28 40.232 42.480 -2.248 1
1 254 . 8 1 1 A 28 28 LEU C C 28 177.776 177.900 -0.124 1
1 255 . 8 1 1 A 29 29 THR N N 29 116.331 114.158 2.173 1
1 256 . 8 1 1 A 29 29 THR H H 29 8.606 8.037 0.569 1
1 257 . 8 1 1 A 29 29 THR CA C 29 66.300 65.407 0.893 1
1 258 . 8 1 1 A 29 29 THR HA H 29 4.009 3.795 0.214 1
1 259 . 8 1 1 A 29 29 THR CB C 29 68.317 68.826 -0.509 1
1 265 . 8 1 1 A 29 29 THR C C 29 177.336 176.690 0.646 1
1 266 . 8 1 1 A 30 30 GLN N N 30 119.465 120.615 -1.150 1
1 267 . 8 1 1 A 30 30 GLN H H 30 7.838 7.718 0.120 1
1 268 . 8 1 1 A 30 30 GLN CA C 30 58.851 58.508 0.343 1
1 269 . 8 1 1 A 30 30 GLN HA H 30 3.969 4.125 -0.156 1
1 270 . 8 1 1 A 30 30 GLN CB C 30 28.349 28.357 -0.008 1
1 279 . 8 1 1 A 30 30 GLN C C 30 178.722 178.343 0.379 1
1 280 . 8 1 1 A 31 31 HIS N N 31 119.993 121.189 -1.196 1
1 281 . 8 1 1 A 31 31 HIS H H 31 7.664 7.910 -0.246 1
1 282 . 8 1 1 A 31 31 HIS CA C 31 59.107 59.333 -0.226 1
1 283 . 8 1 1 A 31 31 HIS HA H 31 4.287 4.159 0.128 1
1 284 . 8 1 1 A 31 31 HIS CB C 31 28.026 29.765 -1.739 1
1 291 . 8 1 1 A 31 31 HIS C C 31 176.251 177.538 -1.287 1
1 292 . 8 1 1 A 32 32 GLN N N 32 115.117 118.403 -3.286 1
1 293 . 8 1 1 A 32 32 GLN H H 32 8.424 8.019 0.405 1
1 294 . 8 1 1 A 32 32 GLN CA C 32 59.472 58.763 0.709 1
1 295 . 8 1 1 A 32 32 GLN HA H 32 3.613 3.724 -0.111 1
1 296 . 8 1 1 A 32 32 GLN CB C 32 28.286 28.355 -0.069 1
1 305 . 8 1 1 A 32 32 GLN C C 32 177.186 178.823 -1.637 1
1 306 . 8 1 1 A 33 33 ARG N N 33 117.852 120.575 -2.723 1
1 307 . 8 1 1 A 33 33 ARG H H 33 7.105 8.114 -1.009 1
1 308 . 8 1 1 A 33 33 ARG CA C 33 58.492 58.908 -0.416 1
1 309 . 8 1 1 A 33 33 ARG HA H 33 4.149 4.001 0.148 1
1 310 . 8 1 1 A 33 33 ARG CB C 33 30.080 29.760 0.320 1
1 319 . 8 1 1 A 33 33 ARG C C 33 178.535 178.354 0.181 1
1 320 . 8 1 1 A 34 34 VAL N N 34 115.844 116.901 -1.057 1
1 321 . 8 1 1 A 34 34 VAL H H 34 7.971 7.463 0.508 1
1 322 . 8 1 1 A 34 34 VAL CA C 34 63.982 65.479 -1.497 1
1 323 . 8 1 1 A 34 34 VAL HA H 34 3.936 3.683 0.253 1
1 324 . 8 1 1 A 34 34 VAL CB C 34 31.159 31.164 -0.005 1
1 334 . 8 1 1 A 34 34 VAL C C 34 177.254 177.681 -0.427 1
1 335 . 8 1 1 A 35 35 HIS N N 35 117.345 119.854 -2.509 1
1 336 . 8 1 1 A 35 35 HIS H H 35 7.225 7.470 -0.245 1
1 337 . 8 1 1 A 35 35 HIS CA C 35 55.058 58.006 -2.948 1
1 338 . 8 1 1 A 35 35 HIS HA H 35 4.895 4.552 0.343 1
1 339 . 8 1 1 A 35 35 HIS CB C 35 28.620 30.295 -1.675 1
1 346 . 8 1 1 A 35 35 HIS C C 35 175.716 176.193 -0.477 1
1 347 . 8 1 1 A 36 36 THR N N 36 111.842 106.478 5.364 1
1 348 . 8 1 1 A 36 36 THR H H 36 7.775 7.739 0.036 1
1 349 . 8 1 1 A 36 36 THR CA C 36 62.514 60.591 1.923 1
1 350 . 8 1 1 A 36 36 THR HA H 36 4.374 4.580 -0.206 1
1 351 . 8 1 1 A 36 36 THR CB C 36 69.853 68.523 1.330 1
1 357 . 8 1 1 A 36 36 THR C C 36 175.509 173.886 1.623 1
1 358 . 8 1 1 A 37 37 GLY N N 37 110.650 110.221 0.429 1
1 359 . 8 1 1 A 37 37 GLY H H 37 8.235 7.774 0.461 1
1 360 . 8 1 1 A 37 37 GLY CA C 37 45.420 45.731 -0.311 1
1 361 . 8 1 1 A 37 37 GLY HA2 H 37 3.960 4.123 -0.163 1
1 362 . 8 1 1 A 37 37 GLY HA3 H 37 4.040 4.134 -0.094 1
1 363 . 8 1 1 A 37 37 GLY C C 37 173.979 173.642 0.337 1
1 364 . 8 1 1 A 38 38 GLU N N 38 120.601 120.160 0.441 1
1 365 . 8 1 1 A 38 38 GLU H H 38 8.101 8.977 -0.876 1
1 366 . 8 1 1 A 38 38 GLU CA C 38 56.476 57.525 -1.049 1
1 367 . 8 1 1 A 38 38 GLU HA H 38 4.255 3.938 0.317 1
1 368 . 8 1 1 A 38 38 GLU CB C 38 30.561 28.805 1.756 1
1 374 . 8 1 1 A 38 38 GLU C C 38 176.212 175.162 1.050 1
1 375 . 8 1 1 A 39 39 LYS N N 39 123.814 114.692 9.122 1
1 376 . 8 1 1 A 39 39 LYS H H 39 8.413 7.577 0.836 1
1 377 . 8 1 1 A 39 39 LYS CA C 39 54.245 53.648 0.597 1
1 378 . 8 1 1 A 39 39 LYS HA H 39 4.618 4.906 -0.288 1
1 379 . 8 1 1 A 39 39 LYS CB C 39 32.519 34.992 -2.473 1
1 391 . 8 1 1 A 39 39 LYS C C 39 174.467 175.913 -1.446 1
1 392 . 8 1 1 A 40 40 PRO CA C 40 63.219 64.717 -1.498 1
1 393 . 8 1 1 A 40 40 PRO HA H 40 4.467 4.346 0.121 1
1 394 . 8 1 1 A 40 40 PRO CB C 40 32.203 31.881 0.322 1
1 403 . 8 1 1 A 40 40 PRO C C 40 173.930 177.718 -3.788 1
1 404 . 8 1 1 A 41 41 SER N N 41 116.519 113.471 3.048 1
1 405 . 8 1 1 A 41 41 SER H H 41 8.488 8.080 0.408 1
1 406 . 8 1 1 A 41 41 SER C C 41 178.949 173.553 5.396 1
1 407 . 8 1 1 A 42 42 GLY CA C 42 44.689 44.377 0.312 1
1 408 . 8 1 1 A 42 42 GLY HA2 H 42 4.119 4.011 0.108 1
1 409 . 8 1 1 A 42 42 GLY HA3 H 42 4.173 4.011 0.162 1
1 410 . 8 1 1 A 43 43 PRO CA C 43 63.267 64.053 -0.786 1
1 411 . 8 1 1 A 43 43 PRO HA H 43 4.485 4.468 0.017 1
1 412 . 8 1 1 A 43 43 PRO CB C 43 32.227 31.851 0.376 1
1 421 . 8 1 1 A 45 45 SER CA C 45 58.370 57.847 0.523 1
1 422 . 8 1 1 A 45 45 SER HA H 45 4.495 4.829 -0.334 1
1 423 . 8 1 1 A 45 45 SER CB C 45 64.018 63.421 0.597 1
1 425 . 8 1 1 A 45 45 SER C C 45 173.890 173.890 0.000 1
1 1 . 9 1 1 A 8 8 THR CA C 8 61.919 65.429 -3.510 1
1 2 . 9 1 1 A 8 8 THR HA H 8 4.367 4.143 0.224 1
1 3 . 9 1 1 A 8 8 THR CB C 8 69.796 69.470 0.326 1
1 9 . 9 1 1 A 8 8 THR C C 8 175.193 175.316 -0.123 1
1 10 . 9 1 1 A 9 9 GLY N N 9 111.079 107.709 3.370 1
1 11 . 9 1 1 A 9 9 GLY H H 9 8.450 7.755 0.695 1
1 12 . 9 1 1 A 9 9 GLY CA C 9 45.243 44.741 0.502 1
1 13 . 9 1 1 A 9 9 GLY HA2 H 9 3.956 4.034 -0.078 1
1 14 . 9 1 1 A 9 9 GLY HA3 H 9 3.956 4.034 -0.078 1
1 15 . 9 1 1 A 9 9 GLY C C 9 173.979 172.902 1.077 1
1 16 . 9 1 1 A 10 10 GLU N N 10 120.501 119.335 1.166 1
1 17 . 9 1 1 A 10 10 GLU H H 10 8.192 8.515 -0.323 1
1 18 . 9 1 1 A 10 10 GLU CA C 10 56.560 54.630 1.930 1
1 19 . 9 1 1 A 10 10 GLU HA H 10 4.198 5.252 -1.054 1
1 20 . 9 1 1 A 10 10 GLU CB C 10 30.474 34.005 -3.531 1
1 26 . 9 1 1 A 10 10 GLU C C 10 176.188 174.977 1.211 1
1 27 . 9 1 1 A 11 11 LYS N N 11 122.926 122.077 0.849 1
1 28 . 9 1 1 A 11 11 LYS H H 11 8.346 8.577 -0.231 1
1 29 . 9 1 1 A 11 11 LYS CA C 11 54.399 52.971 1.428 1
1 30 . 9 1 1 A 11 11 LYS HA H 11 4.447 4.796 -0.349 1
1 31 . 9 1 1 A 11 11 LYS CB C 11 32.473 34.094 -1.621 1
1 43 . 9 1 1 A 11 11 LYS C C 11 174.709 176.096 -1.387 1
1 44 . 9 1 1 A 12 12 PRO CA C 12 64.071 64.054 0.017 1
1 45 . 9 1 1 A 12 12 PRO HA H 12 4.194 4.274 -0.080 1
1 46 . 9 1 1 A 12 12 PRO CB C 12 32.233 31.334 0.899 1
1 55 . 9 1 1 A 12 12 PRO C C 12 176.563 175.726 0.837 1
1 56 . 9 1 1 A 13 13 PHE N N 13 117.437 118.314 -0.877 1
1 57 . 9 1 1 A 13 13 PHE H H 13 7.906 7.404 0.502 1
1 58 . 9 1 1 A 13 13 PHE CA C 13 57.216 56.526 0.690 1
1 59 . 9 1 1 A 13 13 PHE HA H 13 4.733 5.357 -0.624 1
1 60 . 9 1 1 A 13 13 PHE CB C 13 38.760 42.277 -3.517 1
1 73 . 9 1 1 A 13 13 PHE C C 13 174.019 174.532 -0.513 1
1 74 . 9 1 1 A 14 14 LYS N N 14 125.906 121.252 4.654 1
1 75 . 9 1 1 A 14 14 LYS H H 14 8.558 8.735 -0.177 1
1 76 . 9 1 1 A 14 14 LYS CA C 14 55.253 55.889 -0.636 1
1 77 . 9 1 1 A 14 14 LYS HA H 14 4.753 4.851 -0.098 1
1 78 . 9 1 1 A 14 14 LYS CB C 14 35.471 36.701 -1.230 1
1 90 . 9 1 1 A 14 14 LYS C C 14 175.156 174.041 1.115 1
1 91 . 9 1 1 A 15 15 CYS N N 15 128.017 124.107 3.910 1
1 92 . 9 1 1 A 15 15 CYS H H 15 9.322 9.110 0.212 1
1 93 . 9 1 1 A 15 15 CYS CA C 15 59.976 57.798 2.178 1
1 94 . 9 1 1 A 15 15 CYS HA H 15 4.451 4.815 -0.364 1
1 95 . 9 1 1 A 15 15 CYS CB C 15 29.411 29.525 -0.114 1
1 98 . 9 1 1 A 15 15 CYS C C 15 177.343 175.952 1.391 1
1 99 . 9 1 1 A 16 16 GLY N N 16 120.643 114.915 5.728 1
1 100 . 9 1 1 A 16 16 GLY H H 16 9.425 8.804 0.621 1
1 101 . 9 1 1 A 16 16 GLY CA C 16 46.692 46.957 -0.265 1
1 102 . 9 1 1 A 16 16 GLY HA2 H 16 3.969 3.851 0.118 1
1 103 . 9 1 1 A 16 16 GLY HA3 H 16 4.034 3.856 0.178 1
1 104 . 9 1 1 A 16 16 GLY C C 16 174.008 175.679 -1.671 1
1 105 . 9 1 1 A 17 17 GLU N N 17 121.284 120.767 0.517 1
1 106 . 9 1 1 A 17 17 GLU H H 17 8.683 7.886 0.797 1
1 107 . 9 1 1 A 17 17 GLU CA C 17 57.922 59.404 -1.482 1
1 108 . 9 1 1 A 17 17 GLU HA H 17 4.295 3.920 0.375 1
1 109 . 9 1 1 A 17 17 GLU CB C 17 29.778 28.597 1.181 1
1 115 . 9 1 1 A 17 17 GLU C C 17 177.066 178.002 -0.936 1
1 116 . 9 1 1 A 18 18 CYS N N 18 115.033 114.775 0.258 1
1 117 . 9 1 1 A 18 18 CYS H H 18 7.942 7.302 0.640 1
1 118 . 9 1 1 A 18 18 CYS CA C 18 58.453 59.604 -1.151 1
1 119 . 9 1 1 A 18 18 CYS HA H 18 5.187 4.597 0.590 1
1 120 . 9 1 1 A 18 18 CYS CB C 18 32.524 29.932 2.592 1
1 123 . 9 1 1 A 18 18 CYS C C 18 176.135 175.409 0.726 1
1 124 . 9 1 1 A 19 19 GLY N N 19 112.484 110.124 2.360 1
1 125 . 9 1 1 A 19 19 GLY H H 19 8.139 8.092 0.047 1
1 126 . 9 1 1 A 19 19 GLY CA C 19 46.297 45.197 1.100 1
1 127 . 9 1 1 A 19 19 GLY HA2 H 19 4.269 4.077 0.192 1
1 128 . 9 1 1 A 19 19 GLY HA3 H 19 3.800 4.089 -0.289 1
1 129 . 9 1 1 A 19 19 GLY C C 19 174.065 174.056 0.009 1
1 130 . 9 1 1 A 20 20 LYS N N 20 123.711 119.742 3.969 1
1 131 . 9 1 1 A 20 20 LYS H H 20 8.048 7.936 0.112 1
1 132 . 9 1 1 A 20 20 LYS CA C 20 58.446 54.911 3.535 1
1 133 . 9 1 1 A 20 20 LYS HA H 20 4.045 4.502 -0.457 1
1 134 . 9 1 1 A 20 20 LYS CB C 20 33.391 33.692 -0.301 1
1 146 . 9 1 1 A 20 20 LYS C C 20 174.750 175.403 -0.653 1
1 147 . 9 1 1 A 21 21 SER N N 21 114.286 116.305 -2.019 1
1 148 . 9 1 1 A 21 21 SER H H 21 7.863 8.822 -0.959 1
1 149 . 9 1 1 A 21 21 SER CA C 21 56.933 55.871 1.062 1
1 150 . 9 1 1 A 21 21 SER HA H 21 5.398 5.733 -0.335 1
1 151 . 9 1 1 A 21 21 SER CB C 21 66.461 66.190 0.271 1
1 154 . 9 1 1 A 21 21 SER C C 21 172.635 173.304 -0.669 1
1 155 . 9 1 1 A 22 22 TYR N N 22 117.528 119.303 -1.775 1
1 156 . 9 1 1 A 22 22 TYR H H 22 8.774 8.856 -0.082 1
1 157 . 9 1 1 A 22 22 TYR CA C 22 58.061 56.523 1.538 1
1 158 . 9 1 1 A 22 22 TYR HA H 22 4.750 5.004 -0.254 1
1 159 . 9 1 1 A 22 22 TYR CB C 22 44.125 41.950 2.175 1
1 170 . 9 1 1 A 22 22 TYR C C 22 174.955 176.394 -1.439 1
1 171 . 9 1 1 A 23 23 ASN N N 23 118.657 121.267 -2.610 1
1 172 . 9 1 1 A 23 23 ASN H H 23 9.444 9.133 0.311 1
1 173 . 9 1 1 A 23 23 ASN CA C 23 54.765 56.077 -1.312 1
1 174 . 9 1 1 A 23 23 ASN HA H 23 5.029 4.671 0.358 1
1 175 . 9 1 1 A 23 23 ASN CB C 23 40.282 37.725 2.557 1
1 181 . 9 1 1 A 23 23 ASN C C 23 175.004 176.007 -1.003 1
1 182 . 9 1 1 A 24 24 GLN N N 24 114.619 118.155 -3.536 1
1 183 . 9 1 1 A 24 24 GLN H H 24 7.579 8.032 -0.453 1
1 184 . 9 1 1 A 24 24 GLN CA C 24 54.151 54.562 -0.411 1
1 185 . 9 1 1 A 24 24 GLN HA H 24 4.692 4.890 -0.198 1
1 186 . 9 1 1 A 24 24 GLN CB C 24 31.829 30.743 1.086 1
1 195 . 9 1 1 A 24 24 GLN C C 24 175.731 175.860 -0.129 1
1 196 . 9 1 1 A 25 25 ARG N N 25 127.274 123.059 4.215 1
1 197 . 9 1 1 A 25 25 ARG H H 25 8.350 8.603 -0.253 1
1 198 . 9 1 1 A 25 25 ARG CA C 25 59.687 57.791 1.896 1
1 199 . 9 1 1 A 25 25 ARG HA H 25 2.879 3.028 -0.149 1
1 200 . 9 1 1 A 25 25 ARG CB C 25 29.082 29.100 -0.018 1
1 209 . 9 1 1 A 25 25 ARG C C 25 178.363 177.150 1.213 1
1 210 . 9 1 1 A 26 26 VAL N N 26 115.093 118.379 -3.286 1
1 211 . 9 1 1 A 26 26 VAL H H 26 8.274 7.911 0.363 1
1 212 . 9 1 1 A 26 26 VAL CA C 26 64.611 64.561 0.050 1
1 213 . 9 1 1 A 26 26 VAL HA H 26 3.908 3.746 0.162 1
1 214 . 9 1 1 A 26 26 VAL CB C 26 31.070 31.469 -0.399 1
1 224 . 9 1 1 A 26 26 VAL C C 26 176.893 177.045 -0.152 1
1 225 . 9 1 1 A 27 27 HIS N N 27 119.161 118.091 1.070 1
1 226 . 9 1 1 A 27 27 HIS H H 27 6.525 7.707 -1.182 1
1 227 . 9 1 1 A 27 27 HIS CA C 27 57.177 59.497 -2.320 1
1 228 . 9 1 1 A 27 27 HIS HA H 27 4.387 4.330 0.057 1
1 229 . 9 1 1 A 27 27 HIS CB C 27 31.423 30.212 1.211 1
1 236 . 9 1 1 A 27 27 HIS C C 27 178.508 177.348 1.160 1
1 237 . 9 1 1 A 28 28 LEU N N 28 121.662 121.334 0.328 1
1 238 . 9 1 1 A 28 28 LEU H H 28 7.064 8.151 -1.087 1
1 239 . 9 1 1 A 28 28 LEU CA C 28 58.041 57.620 0.421 1
1 240 . 9 1 1 A 28 28 LEU HA H 28 3.807 3.587 0.220 1
1 241 . 9 1 1 A 28 28 LEU CB C 28 40.232 41.788 -1.556 1
1 254 . 9 1 1 A 28 28 LEU C C 28 177.776 178.038 -0.262 1
1 255 . 9 1 1 A 29 29 THR N N 29 116.331 113.985 2.346 1
1 256 . 9 1 1 A 29 29 THR H H 29 8.606 8.063 0.543 1
1 257 . 9 1 1 A 29 29 THR CA C 29 66.300 65.436 0.864 1
1 258 . 9 1 1 A 29 29 THR HA H 29 4.009 4.031 -0.022 1
1 259 . 9 1 1 A 29 29 THR CB C 29 68.317 68.915 -0.598 1
1 265 . 9 1 1 A 29 29 THR C C 29 177.336 176.810 0.526 1
1 266 . 9 1 1 A 30 30 GLN N N 30 119.465 120.918 -1.453 1
1 267 . 9 1 1 A 30 30 GLN H H 30 7.838 7.652 0.186 1
1 268 . 9 1 1 A 30 30 GLN CA C 30 58.851 58.733 0.118 1
1 269 . 9 1 1 A 30 30 GLN HA H 30 3.969 4.014 -0.045 1
1 270 . 9 1 1 A 30 30 GLN CB C 30 28.349 28.606 -0.257 1
1 279 . 9 1 1 A 30 30 GLN C C 30 178.722 177.947 0.775 1
1 280 . 9 1 1 A 31 31 HIS N N 31 119.993 120.301 -0.308 1
1 281 . 9 1 1 A 31 31 HIS H H 31 7.664 8.057 -0.393 1
1 282 . 9 1 1 A 31 31 HIS CA C 31 59.107 59.656 -0.549 1
1 283 . 9 1 1 A 31 31 HIS HA H 31 4.287 4.166 0.121 1
1 284 . 9 1 1 A 31 31 HIS CB C 31 28.026 29.610 -1.584 1
1 291 . 9 1 1 A 31 31 HIS C C 31 176.251 177.185 -0.934 1
1 292 . 9 1 1 A 32 32 GLN N N 32 115.117 117.227 -2.110 1
1 293 . 9 1 1 A 32 32 GLN H H 32 8.424 8.283 0.141 1
1 294 . 9 1 1 A 32 32 GLN CA C 32 59.472 58.997 0.475 1
1 295 . 9 1 1 A 32 32 GLN HA H 32 3.613 3.732 -0.119 1
1 296 . 9 1 1 A 32 32 GLN CB C 32 28.286 28.310 -0.024 1
1 305 . 9 1 1 A 32 32 GLN C C 32 177.186 178.603 -1.417 1
1 306 . 9 1 1 A 33 33 ARG N N 33 117.852 120.202 -2.350 1
1 307 . 9 1 1 A 33 33 ARG H H 33 7.105 7.746 -0.641 1
1 308 . 9 1 1 A 33 33 ARG CA C 33 58.492 58.764 -0.272 1
1 309 . 9 1 1 A 33 33 ARG HA H 33 4.149 4.237 -0.088 1
1 310 . 9 1 1 A 33 33 ARG CB C 33 30.080 29.811 0.269 1
1 319 . 9 1 1 A 33 33 ARG C C 33 178.535 178.742 -0.207 1
1 320 . 9 1 1 A 34 34 VAL N N 34 115.844 116.884 -1.040 1
1 321 . 9 1 1 A 34 34 VAL H H 34 7.971 7.689 0.282 1
1 322 . 9 1 1 A 34 34 VAL CA C 34 63.982 65.271 -1.289 1
1 323 . 9 1 1 A 34 34 VAL HA H 34 3.936 3.612 0.324 1
1 324 . 9 1 1 A 34 34 VAL CB C 34 31.159 31.007 0.152 1
1 334 . 9 1 1 A 34 34 VAL C C 34 177.254 177.542 -0.288 1
1 335 . 9 1 1 A 35 35 HIS N N 35 117.345 119.858 -2.513 1
1 336 . 9 1 1 A 35 35 HIS H H 35 7.225 7.596 -0.371 1
1 337 . 9 1 1 A 35 35 HIS CA C 35 55.058 57.891 -2.833 1
1 338 . 9 1 1 A 35 35 HIS HA H 35 4.895 4.489 0.406 1
1 339 . 9 1 1 A 35 35 HIS CB C 35 28.620 31.389 -2.769 1
1 346 . 9 1 1 A 35 35 HIS C C 35 175.716 175.383 0.333 1
1 347 . 9 1 1 A 36 36 THR N N 36 111.842 107.983 3.859 1
1 348 . 9 1 1 A 36 36 THR H H 36 7.775 8.025 -0.250 1
1 349 . 9 1 1 A 36 36 THR CA C 36 62.514 60.800 1.714 1
1 350 . 9 1 1 A 36 36 THR HA H 36 4.374 4.376 -0.002 1
1 351 . 9 1 1 A 36 36 THR CB C 36 69.853 70.270 -0.417 1
1 357 . 9 1 1 A 36 36 THR C C 36 175.509 174.551 0.958 1
1 358 . 9 1 1 A 37 37 GLY N N 37 110.650 113.797 -3.147 1
1 359 . 9 1 1 A 37 37 GLY H H 37 8.235 8.624 -0.389 1
1 360 . 9 1 1 A 37 37 GLY CA C 37 45.420 45.511 -0.091 1
1 361 . 9 1 1 A 37 37 GLY HA2 H 37 3.960 3.960 0.000 1
1 362 . 9 1 1 A 37 37 GLY HA3 H 37 4.040 3.970 0.070 1
1 363 . 9 1 1 A 37 37 GLY C C 37 173.979 174.258 -0.279 1
1 364 . 9 1 1 A 38 38 GLU N N 38 120.601 122.155 -1.554 1
1 365 . 9 1 1 A 38 38 GLU H H 38 8.101 7.900 0.201 1
1 366 . 9 1 1 A 38 38 GLU CA C 38 56.476 55.880 0.596 1
1 367 . 9 1 1 A 38 38 GLU HA H 38 4.255 4.524 -0.269 1
1 368 . 9 1 1 A 38 38 GLU CB C 38 30.561 29.076 1.485 1
1 374 . 9 1 1 A 38 38 GLU C C 38 176.212 175.188 1.024 1
1 375 . 9 1 1 A 39 39 LYS N N 39 123.814 123.162 0.652 1
1 376 . 9 1 1 A 39 39 LYS H H 39 8.413 7.675 0.738 1
1 377 . 9 1 1 A 39 39 LYS CA C 39 54.245 54.010 0.235 1
1 378 . 9 1 1 A 39 39 LYS HA H 39 4.618 4.889 -0.271 1
1 379 . 9 1 1 A 39 39 LYS CB C 39 32.519 35.322 -2.803 1
1 391 . 9 1 1 A 39 39 LYS C C 39 174.467 175.840 -1.373 1
1 392 . 9 1 1 A 40 40 PRO CA C 40 63.219 64.741 -1.522 1
1 393 . 9 1 1 A 40 40 PRO HA H 40 4.467 4.440 0.027 1
1 394 . 9 1 1 A 40 40 PRO CB C 40 32.203 32.172 0.031 1
1 403 . 9 1 1 A 40 40 PRO C C 40 173.930 176.539 -2.609 1
1 404 . 9 1 1 A 41 41 SER N N 41 116.519 112.264 4.255 1
1 405 . 9 1 1 A 41 41 SER H H 41 8.488 7.745 0.743 1
1 406 . 9 1 1 A 41 41 SER C C 41 178.949 172.728 6.221 1
1 407 . 9 1 1 A 42 42 GLY CA C 42 44.689 44.259 0.430 1
1 408 . 9 1 1 A 42 42 GLY HA2 H 42 4.119 4.313 -0.194 1
1 409 . 9 1 1 A 42 42 GLY HA3 H 42 4.173 4.314 -0.141 1
1 410 . 9 1 1 A 43 43 PRO CA C 43 63.267 64.728 -1.461 1
1 411 . 9 1 1 A 43 43 PRO HA H 43 4.485 4.338 0.147 1
1 412 . 9 1 1 A 43 43 PRO CB C 43 32.227 31.926 0.301 1
1 421 . 9 1 1 A 45 45 SER CA C 45 58.370 59.761 -1.391 1
1 422 . 9 1 1 A 45 45 SER HA H 45 4.495 4.290 0.205 1
1 423 . 9 1 1 A 45 45 SER CB C 45 64.018 62.622 1.396 1
1 425 . 9 1 1 A 45 45 SER C C 45 173.890 174.541 -0.651 1
1 1 . 10 1 1 A 8 8 THR CA C 8 61.919 61.132 0.787 1
1 2 . 10 1 1 A 8 8 THR HA H 8 4.367 4.786 -0.419 1
1 3 . 10 1 1 A 8 8 THR CB C 8 69.796 67.903 1.893 1
1 9 . 10 1 1 A 8 8 THR C C 8 175.193 174.015 1.178 1
1 10 . 10 1 1 A 9 9 GLY N N 9 111.079 113.339 -2.260 1
1 11 . 10 1 1 A 9 9 GLY H H 9 8.450 8.530 -0.080 1
1 12 . 10 1 1 A 9 9 GLY CA C 9 45.243 45.766 -0.523 1
1 13 . 10 1 1 A 9 9 GLY HA2 H 9 3.956 4.174 -0.218 1
1 14 . 10 1 1 A 9 9 GLY HA3 H 9 3.956 4.176 -0.220 1
1 15 . 10 1 1 A 9 9 GLY C C 9 173.979 173.641 0.338 1
1 16 . 10 1 1 A 10 10 GLU N N 10 120.501 120.806 -0.305 1
1 17 . 10 1 1 A 10 10 GLU H H 10 8.192 7.964 0.228 1
1 18 . 10 1 1 A 10 10 GLU CA C 10 56.560 57.065 -0.505 1
1 19 . 10 1 1 A 10 10 GLU HA H 10 4.198 4.269 -0.071 1
1 20 . 10 1 1 A 10 10 GLU CB C 10 30.474 30.967 -0.493 1
1 26 . 10 1 1 A 10 10 GLU C C 10 176.188 175.405 0.783 1
1 27 . 10 1 1 A 11 11 LYS N N 11 122.926 120.103 2.823 1
1 28 . 10 1 1 A 11 11 LYS H H 11 8.346 8.249 0.097 1
1 29 . 10 1 1 A 11 11 LYS CA C 11 54.399 52.943 1.456 1
1 30 . 10 1 1 A 11 11 LYS HA H 11 4.447 4.723 -0.276 1
1 31 . 10 1 1 A 11 11 LYS CB C 11 32.473 33.926 -1.453 1
1 43 . 10 1 1 A 11 11 LYS C C 11 174.709 176.051 -1.342 1
1 44 . 10 1 1 A 12 12 PRO CA C 12 64.071 64.027 0.044 1
1 45 . 10 1 1 A 12 12 PRO HA H 12 4.194 4.250 -0.056 1
1 46 . 10 1 1 A 12 12 PRO CB C 12 32.233 31.389 0.844 1
1 55 . 10 1 1 A 12 12 PRO C C 12 176.563 175.762 0.801 1
1 56 . 10 1 1 A 13 13 PHE N N 13 117.437 118.438 -1.001 1
1 57 . 10 1 1 A 13 13 PHE H H 13 7.906 7.273 0.633 1
1 58 . 10 1 1 A 13 13 PHE CA C 13 57.216 56.288 0.928 1
1 59 . 10 1 1 A 13 13 PHE HA H 13 4.733 5.334 -0.601 1
1 60 . 10 1 1 A 13 13 PHE CB C 13 38.760 42.775 -4.015 1
1 73 . 10 1 1 A 13 13 PHE C C 13 174.019 174.317 -0.298 1
1 74 . 10 1 1 A 14 14 LYS N N 14 125.906 120.623 5.283 1
1 75 . 10 1 1 A 14 14 LYS H H 14 8.558 8.771 -0.213 1
1 76 . 10 1 1 A 14 14 LYS CA C 14 55.253 55.909 -0.656 1
1 77 . 10 1 1 A 14 14 LYS HA H 14 4.753 4.747 0.006 1
1 78 . 10 1 1 A 14 14 LYS CB C 14 35.471 36.104 -0.633 1
1 90 . 10 1 1 A 14 14 LYS C C 14 175.156 174.815 0.341 1
1 91 . 10 1 1 A 15 15 CYS N N 15 128.017 124.829 3.188 1
1 92 . 10 1 1 A 15 15 CYS H H 15 9.322 8.923 0.399 1
1 93 . 10 1 1 A 15 15 CYS CA C 15 59.976 59.133 0.843 1
1 94 . 10 1 1 A 15 15 CYS HA H 15 4.451 4.682 -0.231 1
1 95 . 10 1 1 A 15 15 CYS CB C 15 29.411 28.396 1.015 1
1 98 . 10 1 1 A 15 15 CYS C C 15 177.343 176.593 0.750 1
1 99 . 10 1 1 A 16 16 GLY N N 16 120.643 114.601 6.042 1
1 100 . 10 1 1 A 16 16 GLY H H 16 9.425 8.773 0.652 1
1 101 . 10 1 1 A 16 16 GLY CA C 16 46.692 46.348 0.344 1
1 102 . 10 1 1 A 16 16 GLY HA2 H 16 3.969 3.924 0.045 1
1 103 . 10 1 1 A 16 16 GLY HA3 H 16 4.034 3.929 0.105 1
1 104 . 10 1 1 A 16 16 GLY C C 16 174.008 174.032 -0.024 1
1 105 . 10 1 1 A 17 17 GLU N N 17 121.284 117.403 3.881 1
1 106 . 10 1 1 A 17 17 GLU H H 17 8.683 7.506 1.177 1
1 107 . 10 1 1 A 17 17 GLU CA C 17 57.922 56.702 1.220 1
1 108 . 10 1 1 A 17 17 GLU HA H 17 4.295 4.428 -0.133 1
1 109 . 10 1 1 A 17 17 GLU CB C 17 29.778 32.060 -2.282 1
1 115 . 10 1 1 A 17 17 GLU C C 17 177.066 177.814 -0.748 1
1 116 . 10 1 1 A 18 18 CYS N N 18 115.033 114.444 0.589 1
1 117 . 10 1 1 A 18 18 CYS H H 18 7.942 7.602 0.340 1
1 118 . 10 1 1 A 18 18 CYS CA C 18 58.453 59.358 -0.905 1
1 119 . 10 1 1 A 18 18 CYS HA H 18 5.187 4.677 0.510 1
1 120 . 10 1 1 A 18 18 CYS CB C 18 32.524 30.338 2.186 1
1 123 . 10 1 1 A 18 18 CYS C C 18 176.135 175.647 0.488 1
1 124 . 10 1 1 A 19 19 GLY N N 19 112.484 109.852 2.632 1
1 125 . 10 1 1 A 19 19 GLY H H 19 8.139 8.144 -0.005 1
1 126 . 10 1 1 A 19 19 GLY CA C 19 46.297 45.238 1.059 1
1 127 . 10 1 1 A 19 19 GLY HA2 H 19 4.269 4.102 0.167 1
1 128 . 10 1 1 A 19 19 GLY HA3 H 19 3.800 4.117 -0.317 1
1 129 . 10 1 1 A 19 19 GLY C C 19 174.065 174.321 -0.256 1
1 130 . 10 1 1 A 20 20 LYS N N 20 123.711 120.107 3.604 1
1 131 . 10 1 1 A 20 20 LYS H H 20 8.048 8.032 0.016 1
1 132 . 10 1 1 A 20 20 LYS CA C 20 58.446 55.236 3.210 1
1 133 . 10 1 1 A 20 20 LYS HA H 20 4.045 4.425 -0.380 1
1 134 . 10 1 1 A 20 20 LYS CB C 20 33.391 32.984 0.407 1
1 146 . 10 1 1 A 20 20 LYS C C 20 174.750 176.080 -1.330 1
1 147 . 10 1 1 A 21 21 SER N N 21 114.286 120.505 -6.219 1
1 148 . 10 1 1 A 21 21 SER H H 21 7.863 8.701 -0.838 1
1 149 . 10 1 1 A 21 21 SER CA C 21 56.933 57.244 -0.311 1
1 150 . 10 1 1 A 21 21 SER HA H 21 5.398 5.211 0.187 1
1 151 . 10 1 1 A 21 21 SER CB C 21 66.461 65.069 1.392 1
1 154 . 10 1 1 A 21 21 SER C C 21 172.635 173.640 -1.005 1
1 155 . 10 1 1 A 22 22 TYR N N 22 117.528 118.125 -0.597 1
1 156 . 10 1 1 A 22 22 TYR H H 22 8.774 8.704 0.070 1
1 157 . 10 1 1 A 22 22 TYR CA C 22 58.061 56.663 1.398 1
1 158 . 10 1 1 A 22 22 TYR HA H 22 4.750 5.008 -0.258 1
1 159 . 10 1 1 A 22 22 TYR CB C 22 44.125 43.353 0.772 1
1 170 . 10 1 1 A 22 22 TYR C C 22 174.955 176.122 -1.167 1
1 171 . 10 1 1 A 23 23 ASN N N 23 118.657 119.637 -0.980 1
1 172 . 10 1 1 A 23 23 ASN H H 23 9.444 8.824 0.620 1
1 173 . 10 1 1 A 23 23 ASN CA C 23 54.765 55.636 -0.871 1
1 174 . 10 1 1 A 23 23 ASN HA H 23 5.029 4.702 0.327 1
1 175 . 10 1 1 A 23 23 ASN CB C 23 40.282 40.163 0.119 1
1 181 . 10 1 1 A 23 23 ASN C C 23 175.004 175.807 -0.803 1
1 182 . 10 1 1 A 24 24 GLN N N 24 114.619 117.610 -2.991 1
1 183 . 10 1 1 A 24 24 GLN H H 24 7.579 8.016 -0.437 1
1 184 . 10 1 1 A 24 24 GLN CA C 24 54.151 54.700 -0.549 1
1 185 . 10 1 1 A 24 24 GLN HA H 24 4.692 4.923 -0.231 1
1 186 . 10 1 1 A 24 24 GLN CB C 24 31.829 30.350 1.479 1
1 195 . 10 1 1 A 24 24 GLN C C 24 175.731 176.217 -0.486 1
1 196 . 10 1 1 A 25 25 ARG N N 25 127.274 123.496 3.778 1
1 197 . 10 1 1 A 25 25 ARG H H 25 8.350 8.999 -0.649 1
1 198 . 10 1 1 A 25 25 ARG CA C 25 59.687 57.822 1.865 1
1 199 . 10 1 1 A 25 25 ARG HA H 25 2.879 2.870 0.009 1
1 200 . 10 1 1 A 25 25 ARG CB C 25 29.082 29.464 -0.382 1
1 209 . 10 1 1 A 25 25 ARG C C 25 178.363 177.147 1.216 1
1 210 . 10 1 1 A 26 26 VAL N N 26 115.093 118.428 -3.335 1
1 211 . 10 1 1 A 26 26 VAL H H 26 8.274 7.999 0.275 1
1 212 . 10 1 1 A 26 26 VAL CA C 26 64.611 64.347 0.264 1
1 213 . 10 1 1 A 26 26 VAL HA H 26 3.908 3.811 0.097 1
1 214 . 10 1 1 A 26 26 VAL CB C 26 31.070 31.645 -0.575 1
1 224 . 10 1 1 A 26 26 VAL C C 26 176.893 177.047 -0.154 1
1 225 . 10 1 1 A 27 27 HIS N N 27 119.161 118.884 0.277 1
1 226 . 10 1 1 A 27 27 HIS H H 27 6.525 7.765 -1.240 1
1 227 . 10 1 1 A 27 27 HIS CA C 27 57.177 59.556 -2.379 1
1 228 . 10 1 1 A 27 27 HIS HA H 27 4.387 4.383 0.004 1
1 229 . 10 1 1 A 27 27 HIS CB C 27 31.423 30.067 1.356 1
1 236 . 10 1 1 A 27 27 HIS C C 27 178.508 177.286 1.222 1
1 237 . 10 1 1 A 28 28 LEU N N 28 121.662 121.799 -0.137 1
1 238 . 10 1 1 A 28 28 LEU H H 28 7.064 7.657 -0.593 1
1 239 . 10 1 1 A 28 28 LEU CA C 28 58.041 57.576 0.465 1
1 240 . 10 1 1 A 28 28 LEU HA H 28 3.807 3.368 0.439 1
1 241 . 10 1 1 A 28 28 LEU CB C 28 40.232 41.819 -1.587 1
1 254 . 10 1 1 A 28 28 LEU C C 28 177.776 178.028 -0.252 1
1 255 . 10 1 1 A 29 29 THR N N 29 116.331 113.932 2.399 1
1 256 . 10 1 1 A 29 29 THR H H 29 8.606 7.778 0.828 1
1 257 . 10 1 1 A 29 29 THR CA C 29 66.300 65.674 0.626 1
1 258 . 10 1 1 A 29 29 THR HA H 29 4.009 3.906 0.103 1
1 259 . 10 1 1 A 29 29 THR CB C 29 68.317 68.867 -0.550 1
1 265 . 10 1 1 A 29 29 THR C C 29 177.336 176.611 0.725 1
1 266 . 10 1 1 A 30 30 GLN N N 30 119.465 119.428 0.037 1
1 267 . 10 1 1 A 30 30 GLN H H 30 7.838 7.813 0.025 1
1 268 . 10 1 1 A 30 30 GLN CA C 30 58.851 58.859 -0.008 1
1 269 . 10 1 1 A 30 30 GLN HA H 30 3.969 3.918 0.051 1
1 270 . 10 1 1 A 30 30 GLN CB C 30 28.349 28.555 -0.206 1
1 279 . 10 1 1 A 30 30 GLN C C 30 178.722 178.166 0.556 1
1 280 . 10 1 1 A 31 31 HIS N N 31 119.993 119.810 0.183 1
1 281 . 10 1 1 A 31 31 HIS H H 31 7.664 8.130 -0.466 1
1 282 . 10 1 1 A 31 31 HIS CA C 31 59.107 59.782 -0.675 1
1 283 . 10 1 1 A 31 31 HIS HA H 31 4.287 4.124 0.163 1
1 284 . 10 1 1 A 31 31 HIS CB C 31 28.026 29.541 -1.515 1
1 291 . 10 1 1 A 31 31 HIS C C 31 176.251 177.122 -0.871 1
1 292 . 10 1 1 A 32 32 GLN N N 32 115.117 117.144 -2.027 1
1 293 . 10 1 1 A 32 32 GLN H H 32 8.424 8.037 0.387 1
1 294 . 10 1 1 A 32 32 GLN CA C 32 59.472 58.709 0.763 1
1 295 . 10 1 1 A 32 32 GLN HA H 32 3.613 3.597 0.016 1
1 296 . 10 1 1 A 32 32 GLN CB C 32 28.286 28.282 0.004 1
1 305 . 10 1 1 A 32 32 GLN C C 32 177.186 178.546 -1.360 1
1 306 . 10 1 1 A 33 33 ARG N N 33 117.852 120.145 -2.293 1
1 307 . 10 1 1 A 33 33 ARG H H 33 7.105 7.726 -0.621 1
1 308 . 10 1 1 A 33 33 ARG CA C 33 58.492 59.060 -0.568 1
1 309 . 10 1 1 A 33 33 ARG HA H 33 4.149 4.034 0.115 1
1 310 . 10 1 1 A 33 33 ARG CB C 33 30.080 29.684 0.396 1
1 319 . 10 1 1 A 33 33 ARG C C 33 178.535 178.566 -0.031 1
1 320 . 10 1 1 A 34 34 VAL N N 34 115.844 117.423 -1.579 1
1 321 . 10 1 1 A 34 34 VAL H H 34 7.971 7.693 0.278 1
1 322 . 10 1 1 A 34 34 VAL CA C 34 63.982 65.474 -1.492 1
1 323 . 10 1 1 A 34 34 VAL HA H 34 3.936 3.716 0.220 1
1 324 . 10 1 1 A 34 34 VAL CB C 34 31.159 31.179 -0.020 1
1 334 . 10 1 1 A 34 34 VAL C C 34 177.254 178.049 -0.795 1
1 335 . 10 1 1 A 35 35 HIS N N 35 117.345 120.335 -2.990 1
1 336 . 10 1 1 A 35 35 HIS H H 35 7.225 7.231 -0.006 1
1 337 . 10 1 1 A 35 35 HIS CA C 35 55.058 59.694 -4.636 1
1 338 . 10 1 1 A 35 35 HIS HA H 35 4.895 4.139 0.756 1
1 339 . 10 1 1 A 35 35 HIS CB C 35 28.620 30.346 -1.726 1
1 346 . 10 1 1 A 35 35 HIS C C 35 175.716 177.446 -1.730 1
1 347 . 10 1 1 A 36 36 THR N N 36 111.842 111.536 0.306 1
1 348 . 10 1 1 A 36 36 THR H H 36 7.775 8.278 -0.503 1
1 349 . 10 1 1 A 36 36 THR CA C 36 62.514 64.983 -2.469 1
1 350 . 10 1 1 A 36 36 THR HA H 36 4.374 3.971 0.403 1
1 351 . 10 1 1 A 36 36 THR CB C 36 69.853 68.226 1.627 1
1 357 . 10 1 1 A 36 36 THR C C 36 175.509 176.591 -1.082 1
1 358 . 10 1 1 A 37 37 GLY N N 37 110.650 110.851 -0.201 1
1 359 . 10 1 1 A 37 37 GLY H H 37 8.235 8.740 -0.505 1
1 360 . 10 1 1 A 37 37 GLY CA C 37 45.420 47.274 -1.854 1
1 361 . 10 1 1 A 37 37 GLY HA2 H 37 3.960 3.706 0.254 1
1 362 . 10 1 1 A 37 37 GLY HA3 H 37 4.040 3.712 0.328 1
1 363 . 10 1 1 A 37 37 GLY C C 37 173.979 175.565 -1.586 1
1 364 . 10 1 1 A 38 38 GLU N N 38 120.601 122.474 -1.873 1
1 365 . 10 1 1 A 38 38 GLU H H 38 8.101 7.974 0.127 1
1 366 . 10 1 1 A 38 38 GLU CA C 38 56.476 56.573 -0.097 1
1 367 . 10 1 1 A 38 38 GLU HA H 38 4.255 4.256 -0.001 1
1 368 . 10 1 1 A 38 38 GLU CB C 38 30.561 29.847 0.714 1
1 374 . 10 1 1 A 38 38 GLU C C 38 176.212 176.140 0.072 1
1 375 . 10 1 1 A 39 39 LYS N N 39 123.814 125.596 -1.782 1
1 376 . 10 1 1 A 39 39 LYS H H 39 8.413 8.461 -0.048 1
1 377 . 10 1 1 A 39 39 LYS CA C 39 54.245 55.626 -1.381 1
1 378 . 10 1 1 A 39 39 LYS HA H 39 4.618 4.276 0.342 1
1 379 . 10 1 1 A 39 39 LYS CB C 39 32.519 32.514 0.005 1
1 391 . 10 1 1 A 39 39 LYS C C 39 174.467 176.804 -2.337 1
1 392 . 10 1 1 A 40 40 PRO CA C 40 63.219 64.233 -1.014 1
1 393 . 10 1 1 A 40 40 PRO HA H 40 4.467 4.460 0.007 1
1 394 . 10 1 1 A 40 40 PRO CB C 40 32.203 31.752 0.451 1
1 403 . 10 1 1 A 40 40 PRO C C 40 173.930 175.580 -1.650 1
1 404 . 10 1 1 A 41 41 SER N N 41 116.519 109.343 7.176 1
1 405 . 10 1 1 A 41 41 SER H H 41 8.488 7.650 0.838 1
1 406 . 10 1 1 A 41 41 SER C C 41 178.949 173.728 5.221 1
1 407 . 10 1 1 A 42 42 GLY CA C 42 44.689 45.664 -0.975 1
1 408 . 10 1 1 A 42 42 GLY HA2 H 42 4.119 4.499 -0.380 1
1 409 . 10 1 1 A 42 42 GLY HA3 H 42 4.173 4.500 -0.327 1
1 410 . 10 1 1 A 43 43 PRO CA C 43 63.267 62.690 0.577 1
1 411 . 10 1 1 A 43 43 PRO HA H 43 4.485 4.686 -0.201 1
1 412 . 10 1 1 A 43 43 PRO CB C 43 32.227 32.942 -0.715 1
1 421 . 10 1 1 A 45 45 SER CA C 45 58.370 61.734 -3.364 1
1 422 . 10 1 1 A 45 45 SER HA H 45 4.495 4.167 0.328 1
1 423 . 10 1 1 A 45 45 SER CB C 45 64.018 62.907 1.111 1
1 425 . 10 1 1 A 45 45 SER C C 45 173.890 176.049 -2.159 1
1 1 . 11 1 1 A 8 8 THR CA C 8 61.919 62.274 -0.355 1
1 2 . 11 1 1 A 8 8 THR HA H 8 4.367 4.710 -0.343 1
1 3 . 11 1 1 A 8 8 THR CB C 8 69.796 68.168 1.628 1
1 9 . 11 1 1 A 8 8 THR C C 8 175.193 174.367 0.826 1
1 10 . 11 1 1 A 9 9 GLY N N 9 111.079 112.472 -1.393 1
1 11 . 11 1 1 A 9 9 GLY H H 9 8.450 8.289 0.161 1
1 12 . 11 1 1 A 9 9 GLY CA C 9 45.243 45.718 -0.475 1
1 13 . 11 1 1 A 9 9 GLY HA2 H 9 3.956 4.082 -0.126 1
1 14 . 11 1 1 A 9 9 GLY HA3 H 9 3.956 4.084 -0.128 1
1 15 . 11 1 1 A 9 9 GLY C C 9 173.979 172.219 1.760 1
1 16 . 11 1 1 A 10 10 GLU N N 10 120.501 126.237 -5.736 1
1 17 . 11 1 1 A 10 10 GLU H H 10 8.192 8.880 -0.688 1
1 18 . 11 1 1 A 10 10 GLU CA C 10 56.560 55.274 1.286 1
1 19 . 11 1 1 A 10 10 GLU HA H 10 4.198 4.945 -0.747 1
1 20 . 11 1 1 A 10 10 GLU CB C 10 30.474 32.275 -1.801 1
1 26 . 11 1 1 A 10 10 GLU C C 10 176.188 175.274 0.914 1
1 27 . 11 1 1 A 11 11 LYS N N 11 122.926 124.809 -1.883 1
1 28 . 11 1 1 A 11 11 LYS H H 11 8.346 8.857 -0.511 1
1 29 . 11 1 1 A 11 11 LYS CA C 11 54.399 52.834 1.565 1
1 30 . 11 1 1 A 11 11 LYS HA H 11 4.447 4.661 -0.214 1
1 31 . 11 1 1 A 11 11 LYS CB C 11 32.473 33.091 -0.618 1
1 43 . 11 1 1 A 11 11 LYS C C 11 174.709 176.132 -1.423 1
1 44 . 11 1 1 A 12 12 PRO CA C 12 64.071 64.192 -0.121 1
1 45 . 11 1 1 A 12 12 PRO HA H 12 4.194 4.322 -0.128 1
1 46 . 11 1 1 A 12 12 PRO CB C 12 32.233 31.498 0.735 1
1 55 . 11 1 1 A 12 12 PRO C C 12 176.563 175.966 0.597 1
1 56 . 11 1 1 A 13 13 PHE N N 13 117.437 118.179 -0.742 1
1 57 . 11 1 1 A 13 13 PHE H H 13 7.906 7.253 0.653 1
1 58 . 11 1 1 A 13 13 PHE CA C 13 57.216 56.394 0.822 1
1 59 . 11 1 1 A 13 13 PHE HA H 13 4.733 5.365 -0.632 1
1 60 . 11 1 1 A 13 13 PHE CB C 13 38.760 42.455 -3.695 1
1 73 . 11 1 1 A 13 13 PHE C C 13 174.019 174.472 -0.453 1
1 74 . 11 1 1 A 14 14 LYS N N 14 125.906 120.964 4.942 1
1 75 . 11 1 1 A 14 14 LYS H H 14 8.558 8.707 -0.149 1
1 76 . 11 1 1 A 14 14 LYS CA C 14 55.253 55.904 -0.651 1
1 77 . 11 1 1 A 14 14 LYS HA H 14 4.753 4.766 -0.013 1
1 78 . 11 1 1 A 14 14 LYS CB C 14 35.471 36.640 -1.169 1
1 90 . 11 1 1 A 14 14 LYS C C 14 175.156 174.487 0.669 1
1 91 . 11 1 1 A 15 15 CYS N N 15 128.017 123.838 4.179 1
1 92 . 11 1 1 A 15 15 CYS H H 15 9.322 9.209 0.113 1
1 93 . 11 1 1 A 15 15 CYS CA C 15 59.976 58.686 1.290 1
1 94 . 11 1 1 A 15 15 CYS HA H 15 4.451 4.728 -0.277 1
1 95 . 11 1 1 A 15 15 CYS CB C 15 29.411 28.497 0.914 1
1 98 . 11 1 1 A 15 15 CYS C C 15 177.343 176.504 0.839 1
1 99 . 11 1 1 A 16 16 GLY N N 16 120.643 114.801 5.842 1
1 100 . 11 1 1 A 16 16 GLY H H 16 9.425 8.762 0.663 1
1 101 . 11 1 1 A 16 16 GLY CA C 16 46.692 45.917 0.775 1
1 102 . 11 1 1 A 16 16 GLY HA2 H 16 3.969 3.935 0.034 1
1 103 . 11 1 1 A 16 16 GLY HA3 H 16 4.034 3.937 0.097 1
1 104 . 11 1 1 A 16 16 GLY C C 16 174.008 174.057 -0.049 1
1 105 . 11 1 1 A 17 17 GLU N N 17 121.284 117.173 4.111 1
1 106 . 11 1 1 A 17 17 GLU H H 17 8.683 7.878 0.805 1
1 107 . 11 1 1 A 17 17 GLU CA C 17 57.922 56.870 1.052 1
1 108 . 11 1 1 A 17 17 GLU HA H 17 4.295 4.445 -0.150 1
1 109 . 11 1 1 A 17 17 GLU CB C 17 29.778 32.102 -2.324 1
1 115 . 11 1 1 A 17 17 GLU C C 17 177.066 177.666 -0.600 1
1 116 . 11 1 1 A 18 18 CYS N N 18 115.033 114.878 0.155 1
1 117 . 11 1 1 A 18 18 CYS H H 18 7.942 8.136 -0.194 1
1 118 . 11 1 1 A 18 18 CYS CA C 18 58.453 59.607 -1.154 1
1 119 . 11 1 1 A 18 18 CYS HA H 18 5.187 4.655 0.532 1
1 120 . 11 1 1 A 18 18 CYS CB C 18 32.524 29.986 2.538 1
1 123 . 11 1 1 A 18 18 CYS C C 18 176.135 175.379 0.756 1
1 124 . 11 1 1 A 19 19 GLY N N 19 112.484 110.157 2.327 1
1 125 . 11 1 1 A 19 19 GLY H H 19 8.139 8.165 -0.026 1
1 126 . 11 1 1 A 19 19 GLY CA C 19 46.297 45.199 1.098 1
1 127 . 11 1 1 A 19 19 GLY HA2 H 19 4.269 4.077 0.192 1
1 128 . 11 1 1 A 19 19 GLY HA3 H 19 3.800 4.088 -0.288 1
1 129 . 11 1 1 A 19 19 GLY C C 19 174.065 174.090 -0.025 1
1 130 . 11 1 1 A 20 20 LYS N N 20 123.711 119.738 3.973 1
1 131 . 11 1 1 A 20 20 LYS H H 20 8.048 7.910 0.138 1
1 132 . 11 1 1 A 20 20 LYS CA C 20 58.446 54.970 3.476 1
1 133 . 11 1 1 A 20 20 LYS HA H 20 4.045 4.338 -0.293 1
1 134 . 11 1 1 A 20 20 LYS CB C 20 33.391 33.645 -0.254 1
1 146 . 11 1 1 A 20 20 LYS C C 20 174.750 175.307 -0.557 1
1 147 . 11 1 1 A 21 21 SER N N 21 114.286 117.414 -3.128 1
1 148 . 11 1 1 A 21 21 SER H H 21 7.863 8.678 -0.815 1
1 149 . 11 1 1 A 21 21 SER CA C 21 56.933 56.404 0.529 1
1 150 . 11 1 1 A 21 21 SER HA H 21 5.398 5.663 -0.265 1
1 151 . 11 1 1 A 21 21 SER CB C 21 66.461 65.423 1.038 1
1 154 . 11 1 1 A 21 21 SER C C 21 172.635 173.147 -0.512 1
1 155 . 11 1 1 A 22 22 TYR N N 22 117.528 119.521 -1.993 1
1 156 . 11 1 1 A 22 22 TYR H H 22 8.774 8.846 -0.072 1
1 157 . 11 1 1 A 22 22 TYR CA C 22 58.061 56.981 1.080 1
1 158 . 11 1 1 A 22 22 TYR HA H 22 4.750 4.936 -0.186 1
1 159 . 11 1 1 A 22 22 TYR CB C 22 44.125 42.933 1.192 1
1 170 . 11 1 1 A 22 22 TYR C C 22 174.955 176.052 -1.097 1
1 171 . 11 1 1 A 23 23 ASN N N 23 118.657 119.240 -0.583 1
1 172 . 11 1 1 A 23 23 ASN H H 23 9.444 8.961 0.483 1
1 173 . 11 1 1 A 23 23 ASN CA C 23 54.765 55.170 -0.405 1
1 174 . 11 1 1 A 23 23 ASN HA H 23 5.029 4.717 0.312 1
1 175 . 11 1 1 A 23 23 ASN CB C 23 40.282 40.343 -0.061 1
1 181 . 11 1 1 A 23 23 ASN C C 23 175.004 175.534 -0.530 1
1 182 . 11 1 1 A 24 24 GLN N N 24 114.619 117.834 -3.215 1
1 183 . 11 1 1 A 24 24 GLN H H 24 7.579 8.068 -0.489 1
1 184 . 11 1 1 A 24 24 GLN CA C 24 54.151 54.867 -0.716 1
1 185 . 11 1 1 A 24 24 GLN HA H 24 4.692 4.966 -0.274 1
1 186 . 11 1 1 A 24 24 GLN CB C 24 31.829 30.907 0.922 1
1 195 . 11 1 1 A 24 24 GLN C C 24 175.731 176.637 -0.906 1
1 196 . 11 1 1 A 25 25 ARG N N 25 127.274 123.306 3.968 1
1 197 . 11 1 1 A 25 25 ARG H H 25 8.350 9.039 -0.689 1
1 198 . 11 1 1 A 25 25 ARG CA C 25 59.687 59.226 0.461 1
1 199 . 11 1 1 A 25 25 ARG HA H 25 2.879 3.478 -0.599 1
1 200 . 11 1 1 A 25 25 ARG CB C 25 29.082 30.234 -1.152 1
1 209 . 11 1 1 A 25 25 ARG C C 25 178.363 178.520 -0.157 1
1 210 . 11 1 1 A 26 26 VAL N N 26 115.093 119.764 -4.671 1
1 211 . 11 1 1 A 26 26 VAL H H 26 8.274 8.024 0.250 1
1 212 . 11 1 1 A 26 26 VAL CA C 26 64.611 64.594 0.017 1
1 213 . 11 1 1 A 26 26 VAL HA H 26 3.908 3.681 0.227 1
1 214 . 11 1 1 A 26 26 VAL CB C 26 31.070 31.287 -0.217 1
1 224 . 11 1 1 A 26 26 VAL C C 26 176.893 177.247 -0.354 1
1 225 . 11 1 1 A 27 27 HIS N N 27 119.161 119.489 -0.328 1
1 226 . 11 1 1 A 27 27 HIS H H 27 6.525 7.716 -1.191 1
1 227 . 11 1 1 A 27 27 HIS CA C 27 57.177 60.224 -3.047 1
1 228 . 11 1 1 A 27 27 HIS HA H 27 4.387 4.205 0.182 1
1 229 . 11 1 1 A 27 27 HIS CB C 27 31.423 30.809 0.614 1
1 236 . 11 1 1 A 27 27 HIS C C 27 178.508 177.511 0.997 1
1 237 . 11 1 1 A 28 28 LEU N N 28 121.662 120.602 1.060 1
1 238 . 11 1 1 A 28 28 LEU H H 28 7.064 7.993 -0.929 1
1 239 . 11 1 1 A 28 28 LEU CA C 28 58.041 57.792 0.249 1
1 240 . 11 1 1 A 28 28 LEU HA H 28 3.807 3.642 0.165 1
1 241 . 11 1 1 A 28 28 LEU CB C 28 40.232 41.860 -1.628 1
1 254 . 11 1 1 A 28 28 LEU C C 28 177.776 178.181 -0.405 1
1 255 . 11 1 1 A 29 29 THR N N 29 116.331 114.123 2.208 1
1 256 . 11 1 1 A 29 29 THR H H 29 8.606 8.087 0.519 1
1 257 . 11 1 1 A 29 29 THR CA C 29 66.300 65.308 0.992 1
1 258 . 11 1 1 A 29 29 THR HA H 29 4.009 3.777 0.232 1
1 259 . 11 1 1 A 29 29 THR CB C 29 68.317 68.957 -0.640 1
1 265 . 11 1 1 A 29 29 THR C C 29 177.336 176.540 0.796 1
1 266 . 11 1 1 A 30 30 GLN N N 30 119.465 120.092 -0.627 1
1 267 . 11 1 1 A 30 30 GLN H H 30 7.838 7.578 0.260 1
1 268 . 11 1 1 A 30 30 GLN CA C 30 58.851 58.010 0.841 1
1 269 . 11 1 1 A 30 30 GLN HA H 30 3.969 4.172 -0.203 1
1 270 . 11 1 1 A 30 30 GLN CB C 30 28.349 28.917 -0.568 1
1 279 . 11 1 1 A 30 30 GLN C C 30 178.722 177.784 0.938 1
1 280 . 11 1 1 A 31 31 HIS N N 31 119.993 121.520 -1.527 1
1 281 . 11 1 1 A 31 31 HIS H H 31 7.664 8.235 -0.571 1
1 282 . 11 1 1 A 31 31 HIS CA C 31 59.107 58.819 0.288 1
1 283 . 11 1 1 A 31 31 HIS HA H 31 4.287 4.139 0.148 1
1 284 . 11 1 1 A 31 31 HIS CB C 31 28.026 29.933 -1.907 1
1 291 . 11 1 1 A 31 31 HIS C C 31 176.251 177.132 -0.881 1
1 292 . 11 1 1 A 32 32 GLN N N 32 115.117 118.668 -3.551 1
1 293 . 11 1 1 A 32 32 GLN H H 32 8.424 8.323 0.101 1
1 294 . 11 1 1 A 32 32 GLN CA C 32 59.472 58.975 0.497 1
1 295 . 11 1 1 A 32 32 GLN HA H 32 3.613 3.757 -0.144 1
1 296 . 11 1 1 A 32 32 GLN CB C 32 28.286 28.273 0.013 1
1 305 . 11 1 1 A 32 32 GLN C C 32 177.186 178.275 -1.089 1
1 306 . 11 1 1 A 33 33 ARG N N 33 117.852 119.390 -1.538 1
1 307 . 11 1 1 A 33 33 ARG H H 33 7.105 7.857 -0.752 1
1 308 . 11 1 1 A 33 33 ARG CA C 33 58.492 58.170 0.322 1
1 309 . 11 1 1 A 33 33 ARG HA H 33 4.149 4.069 0.080 1
1 310 . 11 1 1 A 33 33 ARG CB C 33 30.080 30.183 -0.103 1
1 319 . 11 1 1 A 33 33 ARG C C 33 178.535 178.495 0.040 1
1 320 . 11 1 1 A 34 34 VAL N N 34 115.844 117.043 -1.199 1
1 321 . 11 1 1 A 34 34 VAL H H 34 7.971 7.381 0.590 1
1 322 . 11 1 1 A 34 34 VAL CA C 34 63.982 64.633 -0.651 1
1 323 . 11 1 1 A 34 34 VAL HA H 34 3.936 3.912 0.024 1
1 324 . 11 1 1 A 34 34 VAL CB C 34 31.159 31.173 -0.014 1
1 334 . 11 1 1 A 34 34 VAL C C 34 177.254 176.561 0.693 1
1 335 . 11 1 1 A 35 35 HIS N N 35 117.345 118.500 -1.155 1
1 336 . 11 1 1 A 35 35 HIS H H 35 7.225 7.546 -0.321 1
1 337 . 11 1 1 A 35 35 HIS CA C 35 55.058 57.087 -2.029 1
1 338 . 11 1 1 A 35 35 HIS HA H 35 4.895 4.551 0.344 1
1 339 . 11 1 1 A 35 35 HIS CB C 35 28.620 31.539 -2.919 1
1 346 . 11 1 1 A 35 35 HIS C C 35 175.716 175.244 0.472 1
1 347 . 11 1 1 A 36 36 THR N N 36 111.842 110.248 1.594 1
1 348 . 11 1 1 A 36 36 THR H H 36 7.775 7.302 0.473 1
1 349 . 11 1 1 A 36 36 THR CA C 36 62.514 59.955 2.559 1
1 350 . 11 1 1 A 36 36 THR HA H 36 4.374 4.658 -0.284 1
1 351 . 11 1 1 A 36 36 THR CB C 36 69.853 71.002 -1.149 1
1 357 . 11 1 1 A 36 36 THR C C 36 175.509 174.025 1.484 1
1 358 . 11 1 1 A 37 37 GLY N N 37 110.650 108.710 1.940 1
1 359 . 11 1 1 A 37 37 GLY H H 37 8.235 8.364 -0.129 1
1 360 . 11 1 1 A 37 37 GLY CA C 37 45.420 46.185 -0.765 1
1 361 . 11 1 1 A 37 37 GLY HA2 H 37 3.960 4.114 -0.154 1
1 362 . 11 1 1 A 37 37 GLY HA3 H 37 4.040 4.117 -0.077 1
1 363 . 11 1 1 A 37 37 GLY C C 37 173.979 174.091 -0.112 1
1 364 . 11 1 1 A 38 38 GLU N N 38 120.601 121.126 -0.525 1
1 365 . 11 1 1 A 38 38 GLU H H 38 8.101 8.086 0.015 1
1 366 . 11 1 1 A 38 38 GLU CA C 38 56.476 56.610 -0.134 1
1 367 . 11 1 1 A 38 38 GLU HA H 38 4.255 4.330 -0.075 1
1 368 . 11 1 1 A 38 38 GLU CB C 38 30.561 30.788 -0.227 1
1 374 . 11 1 1 A 38 38 GLU C C 38 176.212 176.586 -0.374 1
1 375 . 11 1 1 A 39 39 LYS N N 39 123.814 121.950 1.864 1
1 376 . 11 1 1 A 39 39 LYS H H 39 8.413 8.505 -0.092 1
1 377 . 11 1 1 A 39 39 LYS CA C 39 54.245 55.190 -0.945 1
1 378 . 11 1 1 A 39 39 LYS HA H 39 4.618 4.361 0.257 1
1 379 . 11 1 1 A 39 39 LYS CB C 39 32.519 31.557 0.962 1
1 391 . 11 1 1 A 39 39 LYS C C 39 174.467 174.625 -0.158 1
1 392 . 11 1 1 A 40 40 PRO CA C 40 63.219 62.893 0.326 1
1 393 . 11 1 1 A 40 40 PRO HA H 40 4.467 4.801 -0.334 1
1 394 . 11 1 1 A 40 40 PRO CB C 40 32.203 32.963 -0.760 1
1 403 . 11 1 1 A 40 40 PRO C C 40 173.930 175.187 -1.257 1
1 404 . 11 1 1 A 41 41 SER N N 41 116.519 117.125 -0.606 1
1 405 . 11 1 1 A 41 41 SER H H 41 8.488 8.682 -0.194 1
1 406 . 11 1 1 A 41 41 SER C C 41 178.949 173.054 5.895 1
1 407 . 11 1 1 A 42 42 GLY CA C 42 44.689 45.869 -1.180 1
1 408 . 11 1 1 A 42 42 GLY HA2 H 42 4.119 4.121 -0.002 1
1 409 . 11 1 1 A 42 42 GLY HA3 H 42 4.173 4.122 0.051 1
1 410 . 11 1 1 A 43 43 PRO CA C 43 63.267 64.411 -1.144 1
1 411 . 11 1 1 A 43 43 PRO HA H 43 4.485 4.426 0.059 1
1 412 . 11 1 1 A 43 43 PRO CB C 43 32.227 31.890 0.337 1
1 421 . 11 1 1 A 45 45 SER CA C 45 58.370 60.095 -1.725 1
1 422 . 11 1 1 A 45 45 SER HA H 45 4.495 4.114 0.381 1
1 423 . 11 1 1 A 45 45 SER CB C 45 64.018 63.725 0.293 1
1 425 . 11 1 1 A 45 45 SER C C 45 173.890 174.775 -0.885 1
1 1 . 12 1 1 A 8 8 THR CA C 8 61.919 60.577 1.342 1
1 2 . 12 1 1 A 8 8 THR HA H 8 4.367 4.702 -0.335 1
1 3 . 12 1 1 A 8 8 THR CB C 8 69.796 71.166 -1.370 1
1 9 . 12 1 1 A 8 8 THR C C 8 175.193 173.680 1.513 1
1 10 . 12 1 1 A 9 9 GLY N N 9 111.079 115.650 -4.571 1
1 11 . 12 1 1 A 9 9 GLY H H 9 8.450 8.703 -0.253 1
1 12 . 12 1 1 A 9 9 GLY CA C 9 45.243 45.603 -0.360 1
1 13 . 12 1 1 A 9 9 GLY HA2 H 9 3.956 3.991 -0.035 1
1 14 . 12 1 1 A 9 9 GLY HA3 H 9 3.956 3.996 -0.040 1
1 15 . 12 1 1 A 9 9 GLY C C 9 173.979 174.753 -0.774 1
1 16 . 12 1 1 A 10 10 GLU N N 10 120.501 118.705 1.796 1
1 17 . 12 1 1 A 10 10 GLU H H 10 8.192 8.107 0.085 1
1 18 . 12 1 1 A 10 10 GLU CA C 10 56.560 56.017 0.543 1
1 19 . 12 1 1 A 10 10 GLU HA H 10 4.198 4.424 -0.226 1
1 20 . 12 1 1 A 10 10 GLU CB C 10 30.474 29.008 1.466 1
1 26 . 12 1 1 A 10 10 GLU C C 10 176.188 175.124 1.064 1
1 27 . 12 1 1 A 11 11 LYS N N 11 122.926 120.039 2.887 1
1 28 . 12 1 1 A 11 11 LYS H H 11 8.346 7.107 1.239 1
1 29 . 12 1 1 A 11 11 LYS CA C 11 54.399 53.196 1.203 1
1 30 . 12 1 1 A 11 11 LYS HA H 11 4.447 4.541 -0.094 1
1 31 . 12 1 1 A 11 11 LYS CB C 11 32.473 32.646 -0.173 1
1 43 . 12 1 1 A 11 11 LYS C C 11 174.709 176.188 -1.479 1
1 44 . 12 1 1 A 12 12 PRO CA C 12 64.071 64.206 -0.135 1
1 45 . 12 1 1 A 12 12 PRO HA H 12 4.194 4.333 -0.139 1
1 46 . 12 1 1 A 12 12 PRO CB C 12 32.233 31.553 0.680 1
1 55 . 12 1 1 A 12 12 PRO C C 12 176.563 176.026 0.537 1
1 56 . 12 1 1 A 13 13 PHE N N 13 117.437 118.378 -0.941 1
1 57 . 12 1 1 A 13 13 PHE H H 13 7.906 7.307 0.599 1
1 58 . 12 1 1 A 13 13 PHE CA C 13 57.216 57.081 0.135 1
1 59 . 12 1 1 A 13 13 PHE HA H 13 4.733 5.186 -0.453 1
1 60 . 12 1 1 A 13 13 PHE CB C 13 38.760 42.024 -3.264 1
1 73 . 12 1 1 A 13 13 PHE C C 13 174.019 174.356 -0.337 1
1 74 . 12 1 1 A 14 14 LYS N N 14 125.906 122.006 3.900 1
1 75 . 12 1 1 A 14 14 LYS H H 14 8.558 8.781 -0.223 1
1 76 . 12 1 1 A 14 14 LYS CA C 14 55.253 55.805 -0.552 1
1 77 . 12 1 1 A 14 14 LYS HA H 14 4.753 4.869 -0.116 1
1 78 . 12 1 1 A 14 14 LYS CB C 14 35.471 36.552 -1.081 1
1 90 . 12 1 1 A 14 14 LYS C C 14 175.156 174.053 1.103 1
1 91 . 12 1 1 A 15 15 CYS N N 15 128.017 124.408 3.609 1
1 92 . 12 1 1 A 15 15 CYS H H 15 9.322 9.020 0.302 1
1 93 . 12 1 1 A 15 15 CYS CA C 15 59.976 57.941 2.035 1
1 94 . 12 1 1 A 15 15 CYS HA H 15 4.451 4.829 -0.378 1
1 95 . 12 1 1 A 15 15 CYS CB C 15 29.411 28.837 0.574 1
1 98 . 12 1 1 A 15 15 CYS C C 15 177.343 175.807 1.536 1
1 99 . 12 1 1 A 16 16 GLY N N 16 120.643 114.684 5.959 1
1 100 . 12 1 1 A 16 16 GLY H H 16 9.425 8.780 0.645 1
1 101 . 12 1 1 A 16 16 GLY CA C 16 46.692 46.986 -0.294 1
1 102 . 12 1 1 A 16 16 GLY HA2 H 16 3.969 3.831 0.138 1
1 103 . 12 1 1 A 16 16 GLY HA3 H 16 4.034 3.837 0.197 1
1 104 . 12 1 1 A 16 16 GLY C C 16 174.008 175.711 -1.703 1
1 105 . 12 1 1 A 17 17 GLU N N 17 121.284 120.742 0.542 1
1 106 . 12 1 1 A 17 17 GLU H H 17 8.683 7.882 0.801 1
1 107 . 12 1 1 A 17 17 GLU CA C 17 57.922 59.319 -1.397 1
1 108 . 12 1 1 A 17 17 GLU HA H 17 4.295 3.870 0.425 1
1 109 . 12 1 1 A 17 17 GLU CB C 17 29.778 28.673 1.105 1
1 115 . 12 1 1 A 17 17 GLU C C 17 177.066 178.112 -1.046 1
1 116 . 12 1 1 A 18 18 CYS N N 18 115.033 114.690 0.343 1
1 117 . 12 1 1 A 18 18 CYS H H 18 7.942 7.337 0.605 1
1 118 . 12 1 1 A 18 18 CYS CA C 18 58.453 59.397 -0.944 1
1 119 . 12 1 1 A 18 18 CYS HA H 18 5.187 4.671 0.516 1
1 120 . 12 1 1 A 18 18 CYS CB C 18 32.524 30.160 2.364 1
1 123 . 12 1 1 A 18 18 CYS C C 18 176.135 175.480 0.655 1
1 124 . 12 1 1 A 19 19 GLY N N 19 112.484 110.062 2.422 1
1 125 . 12 1 1 A 19 19 GLY H H 19 8.139 7.958 0.181 1
1 126 . 12 1 1 A 19 19 GLY CA C 19 46.297 45.436 0.861 1
1 127 . 12 1 1 A 19 19 GLY HA2 H 19 4.269 4.062 0.207 1
1 128 . 12 1 1 A 19 19 GLY HA3 H 19 3.800 4.073 -0.273 1
1 129 . 12 1 1 A 19 19 GLY C C 19 174.065 174.182 -0.117 1
1 130 . 12 1 1 A 20 20 LYS N N 20 123.711 119.855 3.856 1
1 131 . 12 1 1 A 20 20 LYS H H 20 8.048 7.926 0.122 1
1 132 . 12 1 1 A 20 20 LYS CA C 20 58.446 54.489 3.957 1
1 133 . 12 1 1 A 20 20 LYS HA H 20 4.045 4.505 -0.460 1
1 134 . 12 1 1 A 20 20 LYS CB C 20 33.391 34.767 -1.376 1
1 146 . 12 1 1 A 20 20 LYS C C 20 174.750 175.335 -0.585 1
1 147 . 12 1 1 A 21 21 SER N N 21 114.286 117.253 -2.967 1
1 148 . 12 1 1 A 21 21 SER H H 21 7.863 8.572 -0.709 1
1 149 . 12 1 1 A 21 21 SER CA C 21 56.933 55.974 0.959 1
1 150 . 12 1 1 A 21 21 SER HA H 21 5.398 5.536 -0.138 1
1 151 . 12 1 1 A 21 21 SER CB C 21 66.461 65.992 0.469 1
1 154 . 12 1 1 A 21 21 SER C C 21 172.635 173.234 -0.599 1
1 155 . 12 1 1 A 22 22 TYR N N 22 117.528 118.458 -0.930 1
1 156 . 12 1 1 A 22 22 TYR H H 22 8.774 8.378 0.396 1
1 157 . 12 1 1 A 22 22 TYR CA C 22 58.061 56.634 1.427 1
1 158 . 12 1 1 A 22 22 TYR HA H 22 4.750 5.029 -0.279 1
1 159 . 12 1 1 A 22 22 TYR CB C 22 44.125 42.148 1.977 1
1 170 . 12 1 1 A 22 22 TYR C C 22 174.955 176.126 -1.171 1
1 171 . 12 1 1 A 23 23 ASN N N 23 118.657 122.150 -3.493 1
1 172 . 12 1 1 A 23 23 ASN H H 23 9.444 8.804 0.640 1
1 173 . 12 1 1 A 23 23 ASN CA C 23 54.765 56.253 -1.488 1
1 174 . 12 1 1 A 23 23 ASN HA H 23 5.029 4.469 0.560 1
1 175 . 12 1 1 A 23 23 ASN CB C 23 40.282 38.498 1.784 1
1 181 . 12 1 1 A 23 23 ASN C C 23 175.004 176.097 -1.093 1
1 182 . 12 1 1 A 24 24 GLN N N 24 114.619 117.421 -2.802 1
1 183 . 12 1 1 A 24 24 GLN H H 24 7.579 8.053 -0.474 1
1 184 . 12 1 1 A 24 24 GLN CA C 24 54.151 54.659 -0.508 1
1 185 . 12 1 1 A 24 24 GLN HA H 24 4.692 4.822 -0.130 1
1 186 . 12 1 1 A 24 24 GLN CB C 24 31.829 30.153 1.676 1
1 195 . 12 1 1 A 24 24 GLN C C 24 175.731 176.344 -0.613 1
1 196 . 12 1 1 A 25 25 ARG N N 25 127.274 123.817 3.457 1
1 197 . 12 1 1 A 25 25 ARG H H 25 8.350 9.001 -0.651 1
1 198 . 12 1 1 A 25 25 ARG CA C 25 59.687 57.860 1.827 1
1 199 . 12 1 1 A 25 25 ARG HA H 25 2.879 2.958 -0.079 1
1 200 . 12 1 1 A 25 25 ARG CB C 25 29.082 29.268 -0.186 1
1 209 . 12 1 1 A 25 25 ARG C C 25 178.363 177.132 1.231 1
1 210 . 12 1 1 A 26 26 VAL N N 26 115.093 118.346 -3.253 1
1 211 . 12 1 1 A 26 26 VAL H H 26 8.274 8.008 0.266 1
1 212 . 12 1 1 A 26 26 VAL CA C 26 64.611 64.510 0.101 1
1 213 . 12 1 1 A 26 26 VAL HA H 26 3.908 3.762 0.146 1
1 214 . 12 1 1 A 26 26 VAL CB C 26 31.070 31.490 -0.420 1
1 224 . 12 1 1 A 26 26 VAL C C 26 176.893 176.997 -0.104 1
1 225 . 12 1 1 A 27 27 HIS N N 27 119.161 118.782 0.379 1
1 226 . 12 1 1 A 27 27 HIS H H 27 6.525 7.791 -1.266 1
1 227 . 12 1 1 A 27 27 HIS CA C 27 57.177 59.683 -2.506 1
1 228 . 12 1 1 A 27 27 HIS HA H 27 4.387 4.290 0.097 1
1 229 . 12 1 1 A 27 27 HIS CB C 27 31.423 30.058 1.365 1
1 236 . 12 1 1 A 27 27 HIS C C 27 178.508 177.338 1.170 1
1 237 . 12 1 1 A 28 28 LEU N N 28 121.662 121.260 0.402 1
1 238 . 12 1 1 A 28 28 LEU H H 28 7.064 8.227 -1.163 1
1 239 . 12 1 1 A 28 28 LEU CA C 28 58.041 57.673 0.368 1
1 240 . 12 1 1 A 28 28 LEU HA H 28 3.807 3.841 -0.034 1
1 241 . 12 1 1 A 28 28 LEU CB C 28 40.232 42.035 -1.803 1
1 254 . 12 1 1 A 28 28 LEU C C 28 177.776 178.104 -0.328 1
1 255 . 12 1 1 A 29 29 THR N N 29 116.331 113.990 2.341 1
1 256 . 12 1 1 A 29 29 THR H H 29 8.606 8.028 0.578 1
1 257 . 12 1 1 A 29 29 THR CA C 29 66.300 65.359 0.941 1
1 258 . 12 1 1 A 29 29 THR HA H 29 4.009 3.791 0.218 1
1 259 . 12 1 1 A 29 29 THR CB C 29 68.317 68.948 -0.631 1
1 265 . 12 1 1 A 29 29 THR C C 29 177.336 176.677 0.659 1
1 266 . 12 1 1 A 30 30 GLN N N 30 119.465 120.954 -1.489 1
1 267 . 12 1 1 A 30 30 GLN H H 30 7.838 7.712 0.126 1
1 268 . 12 1 1 A 30 30 GLN CA C 30 58.851 58.589 0.262 1
1 269 . 12 1 1 A 30 30 GLN HA H 30 3.969 4.024 -0.055 1
1 270 . 12 1 1 A 30 30 GLN CB C 30 28.349 28.422 -0.073 1
1 279 . 12 1 1 A 30 30 GLN C C 30 178.722 178.075 0.647 1
1 280 . 12 1 1 A 31 31 HIS N N 31 119.993 120.402 -0.409 1
1 281 . 12 1 1 A 31 31 HIS H H 31 7.664 8.047 -0.383 1
1 282 . 12 1 1 A 31 31 HIS CA C 31 59.107 59.852 -0.745 1
1 283 . 12 1 1 A 31 31 HIS HA H 31 4.287 4.150 0.137 1
1 284 . 12 1 1 A 31 31 HIS CB C 31 28.026 29.296 -1.270 1
1 291 . 12 1 1 A 31 31 HIS C C 31 176.251 177.175 -0.924 1
1 292 . 12 1 1 A 32 32 GLN N N 32 115.117 117.540 -2.423 1
1 293 . 12 1 1 A 32 32 GLN H H 32 8.424 8.477 -0.053 1
1 294 . 12 1 1 A 32 32 GLN CA C 32 59.472 58.925 0.547 1
1 295 . 12 1 1 A 32 32 GLN HA H 32 3.613 3.836 -0.223 1
1 296 . 12 1 1 A 32 32 GLN CB C 32 28.286 28.311 -0.025 1
1 305 . 12 1 1 A 32 32 GLN C C 32 177.186 178.586 -1.400 1
1 306 . 12 1 1 A 33 33 ARG N N 33 117.852 120.248 -2.396 1
1 307 . 12 1 1 A 33 33 ARG H H 33 7.105 7.725 -0.620 1
1 308 . 12 1 1 A 33 33 ARG CA C 33 58.492 58.764 -0.272 1
1 309 . 12 1 1 A 33 33 ARG HA H 33 4.149 3.944 0.205 1
1 310 . 12 1 1 A 33 33 ARG CB C 33 30.080 29.846 0.234 1
1 319 . 12 1 1 A 33 33 ARG C C 33 178.535 178.461 0.074 1
1 320 . 12 1 1 A 34 34 VAL N N 34 115.844 116.755 -0.911 1
1 321 . 12 1 1 A 34 34 VAL H H 34 7.971 7.760 0.211 1
1 322 . 12 1 1 A 34 34 VAL CA C 34 63.982 65.270 -1.288 1
1 323 . 12 1 1 A 34 34 VAL HA H 34 3.936 3.617 0.319 1
1 324 . 12 1 1 A 34 34 VAL CB C 34 31.159 30.918 0.241 1
1 334 . 12 1 1 A 34 34 VAL C C 34 177.254 176.914 0.340 1
1 335 . 12 1 1 A 35 35 HIS N N 35 117.345 119.195 -1.850 1
1 336 . 12 1 1 A 35 35 HIS H H 35 7.225 7.593 -0.368 1
1 337 . 12 1 1 A 35 35 HIS CA C 35 55.058 55.865 -0.807 1
1 338 . 12 1 1 A 35 35 HIS HA H 35 4.895 4.637 0.258 1
1 339 . 12 1 1 A 35 35 HIS CB C 35 28.620 29.170 -0.550 1
1 346 . 12 1 1 A 35 35 HIS C C 35 175.716 175.604 0.112 1
1 347 . 12 1 1 A 36 36 THR N N 36 111.842 115.501 -3.659 1
1 348 . 12 1 1 A 36 36 THR H H 36 7.775 7.797 -0.022 1
1 349 . 12 1 1 A 36 36 THR CA C 36 62.514 65.149 -2.635 1
1 350 . 12 1 1 A 36 36 THR HA H 36 4.374 4.087 0.287 1
1 351 . 12 1 1 A 36 36 THR CB C 36 69.853 69.278 0.575 1
1 357 . 12 1 1 A 36 36 THR C C 36 175.509 174.745 0.764 1
1 358 . 12 1 1 A 37 37 GLY N N 37 110.650 110.062 0.588 1
1 359 . 12 1 1 A 37 37 GLY H H 37 8.235 8.019 0.216 1
1 360 . 12 1 1 A 37 37 GLY CA C 37 45.420 47.064 -1.644 1
1 361 . 12 1 1 A 37 37 GLY HA2 H 37 3.960 3.897 0.063 1
1 362 . 12 1 1 A 37 37 GLY HA3 H 37 4.040 3.904 0.136 1
1 363 . 12 1 1 A 37 37 GLY C C 37 173.979 174.936 -0.957 1
1 364 . 12 1 1 A 38 38 GLU N N 38 120.601 119.265 1.336 1
1 365 . 12 1 1 A 38 38 GLU H H 38 8.101 7.869 0.232 1
1 366 . 12 1 1 A 38 38 GLU CA C 38 56.476 57.019 -0.543 1
1 367 . 12 1 1 A 38 38 GLU HA H 38 4.255 4.248 0.007 1
1 368 . 12 1 1 A 38 38 GLU CB C 38 30.561 30.813 -0.252 1
1 374 . 12 1 1 A 38 38 GLU C C 38 176.212 175.794 0.418 1
1 375 . 12 1 1 A 39 39 LYS N N 39 123.814 121.285 2.529 1
1 376 . 12 1 1 A 39 39 LYS H H 39 8.413 8.439 -0.026 1
1 377 . 12 1 1 A 39 39 LYS CA C 39 54.245 54.240 0.005 1
1 378 . 12 1 1 A 39 39 LYS HA H 39 4.618 4.582 0.036 1
1 379 . 12 1 1 A 39 39 LYS CB C 39 32.519 31.914 0.605 1
1 391 . 12 1 1 A 39 39 LYS C C 39 174.467 174.864 -0.397 1
1 392 . 12 1 1 A 40 40 PRO CA C 40 63.219 62.761 0.458 1
1 393 . 12 1 1 A 40 40 PRO HA H 40 4.467 4.643 -0.176 1
1 394 . 12 1 1 A 40 40 PRO CB C 40 32.203 31.641 0.562 1
1 403 . 12 1 1 A 40 40 PRO C C 40 173.930 177.494 -3.564 1
1 404 . 12 1 1 A 41 41 SER N N 41 116.519 120.071 -3.552 1
1 405 . 12 1 1 A 41 41 SER H H 41 8.488 8.671 -0.183 1
1 406 . 12 1 1 A 41 41 SER C C 41 178.949 175.372 3.577 1
1 407 . 12 1 1 A 42 42 GLY CA C 42 44.689 46.609 -1.920 1
1 408 . 12 1 1 A 42 42 GLY HA2 H 42 4.119 3.936 0.183 1
1 409 . 12 1 1 A 42 42 GLY HA3 H 42 4.173 3.937 0.236 1
1 410 . 12 1 1 A 43 43 PRO CA C 43 63.267 62.907 0.360 1
1 411 . 12 1 1 A 43 43 PRO HA H 43 4.485 4.461 0.024 1
1 412 . 12 1 1 A 43 43 PRO CB C 43 32.227 32.522 -0.295 1
1 421 . 12 1 1 A 45 45 SER CA C 45 58.370 57.585 0.785 1
1 422 . 12 1 1 A 45 45 SER HA H 45 4.495 5.098 -0.603 1
1 423 . 12 1 1 A 45 45 SER CB C 45 64.018 67.484 -3.466 1
1 425 . 12 1 1 A 45 45 SER C C 45 173.890 172.881 1.009 1
1 1 . 13 1 1 A 8 8 THR CA C 8 61.919 60.409 1.510 1
1 2 . 13 1 1 A 8 8 THR HA H 8 4.367 5.063 -0.696 1
1 3 . 13 1 1 A 8 8 THR CB C 8 69.796 71.144 -1.348 1
1 9 . 13 1 1 A 8 8 THR C C 8 175.193 172.980 2.213 1
1 10 . 13 1 1 A 9 9 GLY N N 9 111.079 109.959 1.120 1
1 11 . 13 1 1 A 9 9 GLY H H 9 8.450 8.273 0.177 1
1 12 . 13 1 1 A 9 9 GLY CA C 9 45.243 45.783 -0.540 1
1 13 . 13 1 1 A 9 9 GLY HA2 H 9 3.956 4.184 -0.228 1
1 14 . 13 1 1 A 9 9 GLY HA3 H 9 3.956 4.186 -0.230 1
1 15 . 13 1 1 A 9 9 GLY C C 9 173.979 171.837 2.142 1
1 16 . 13 1 1 A 10 10 GLU N N 10 120.501 120.175 0.326 1
1 17 . 13 1 1 A 10 10 GLU H H 10 8.192 8.691 -0.499 1
1 18 . 13 1 1 A 10 10 GLU CA C 10 56.560 54.931 1.629 1
1 19 . 13 1 1 A 10 10 GLU HA H 10 4.198 4.803 -0.605 1
1 20 . 13 1 1 A 10 10 GLU CB C 10 30.474 33.941 -3.467 1
1 26 . 13 1 1 A 10 10 GLU C C 10 176.188 175.042 1.146 1
1 27 . 13 1 1 A 11 11 LYS N N 11 122.926 125.628 -2.702 1
1 28 . 13 1 1 A 11 11 LYS H H 11 8.346 8.485 -0.139 1
1 29 . 13 1 1 A 11 11 LYS CA C 11 54.399 54.949 -0.550 1
1 30 . 13 1 1 A 11 11 LYS HA H 11 4.447 4.259 0.188 1
1 31 . 13 1 1 A 11 11 LYS CB C 11 32.473 31.824 0.649 1
1 43 . 13 1 1 A 11 11 LYS C C 11 174.709 176.620 -1.911 1
1 44 . 13 1 1 A 12 12 PRO CA C 12 64.071 64.175 -0.104 1
1 45 . 13 1 1 A 12 12 PRO HA H 12 4.194 4.252 -0.058 1
1 46 . 13 1 1 A 12 12 PRO CB C 12 32.233 31.372 0.861 1
1 55 . 13 1 1 A 12 12 PRO C C 12 176.563 175.737 0.826 1
1 56 . 13 1 1 A 13 13 PHE N N 13 117.437 118.200 -0.763 1
1 57 . 13 1 1 A 13 13 PHE H H 13 7.906 7.321 0.585 1
1 58 . 13 1 1 A 13 13 PHE CA C 13 57.216 56.294 0.922 1
1 59 . 13 1 1 A 13 13 PHE HA H 13 4.733 5.327 -0.594 1
1 60 . 13 1 1 A 13 13 PHE CB C 13 38.760 42.330 -3.570 1
1 73 . 13 1 1 A 13 13 PHE C C 13 174.019 174.566 -0.547 1
1 74 . 13 1 1 A 14 14 LYS N N 14 125.906 120.788 5.118 1
1 75 . 13 1 1 A 14 14 LYS H H 14 8.558 8.742 -0.184 1
1 76 . 13 1 1 A 14 14 LYS CA C 14 55.253 55.907 -0.654 1
1 77 . 13 1 1 A 14 14 LYS HA H 14 4.753 4.743 0.010 1
1 78 . 13 1 1 A 14 14 LYS CB C 14 35.471 36.508 -1.037 1
1 90 . 13 1 1 A 14 14 LYS C C 14 175.156 174.539 0.617 1
1 91 . 13 1 1 A 15 15 CYS N N 15 128.017 123.848 4.169 1
1 92 . 13 1 1 A 15 15 CYS H H 15 9.322 8.701 0.621 1
1 93 . 13 1 1 A 15 15 CYS CA C 15 59.976 58.634 1.342 1
1 94 . 13 1 1 A 15 15 CYS HA H 15 4.451 4.745 -0.294 1
1 95 . 13 1 1 A 15 15 CYS CB C 15 29.411 28.142 1.269 1
1 98 . 13 1 1 A 15 15 CYS C C 15 177.343 176.584 0.759 1
1 99 . 13 1 1 A 16 16 GLY N N 16 120.643 114.678 5.965 1
1 100 . 13 1 1 A 16 16 GLY H H 16 9.425 8.806 0.619 1
1 101 . 13 1 1 A 16 16 GLY CA C 16 46.692 46.482 0.210 1
1 102 . 13 1 1 A 16 16 GLY HA2 H 16 3.969 3.890 0.079 1
1 103 . 13 1 1 A 16 16 GLY HA3 H 16 4.034 3.891 0.143 1
1 104 . 13 1 1 A 16 16 GLY C C 16 174.008 173.753 0.255 1
1 105 . 13 1 1 A 17 17 GLU N N 17 121.284 117.149 4.135 1
1 106 . 13 1 1 A 17 17 GLU H H 17 8.683 7.893 0.790 1
1 107 . 13 1 1 A 17 17 GLU CA C 17 57.922 56.896 1.026 1
1 108 . 13 1 1 A 17 17 GLU HA H 17 4.295 4.412 -0.117 1
1 109 . 13 1 1 A 17 17 GLU CB C 17 29.778 31.639 -1.861 1
1 115 . 13 1 1 A 17 17 GLU C C 17 177.066 177.652 -0.586 1
1 116 . 13 1 1 A 18 18 CYS N N 18 115.033 114.558 0.475 1
1 117 . 13 1 1 A 18 18 CYS H H 18 7.942 7.554 0.388 1
1 118 . 13 1 1 A 18 18 CYS CA C 18 58.453 59.376 -0.923 1
1 119 . 13 1 1 A 18 18 CYS HA H 18 5.187 4.660 0.527 1
1 120 . 13 1 1 A 18 18 CYS CB C 18 32.524 29.965 2.559 1
1 123 . 13 1 1 A 18 18 CYS C C 18 176.135 175.585 0.550 1
1 124 . 13 1 1 A 19 19 GLY N N 19 112.484 109.829 2.655 1
1 125 . 13 1 1 A 19 19 GLY H H 19 8.139 8.007 0.132 1
1 126 . 13 1 1 A 19 19 GLY CA C 19 46.297 44.897 1.400 1
1 127 . 13 1 1 A 19 19 GLY HA2 H 19 4.269 4.091 0.178 1
1 128 . 13 1 1 A 19 19 GLY HA3 H 19 3.800 4.100 -0.300 1
1 129 . 13 1 1 A 19 19 GLY C C 19 174.065 174.488 -0.423 1
1 130 . 13 1 1 A 20 20 LYS N N 20 123.711 120.726 2.985 1
1 131 . 13 1 1 A 20 20 LYS H H 20 8.048 7.412 0.636 1
1 132 . 13 1 1 A 20 20 LYS CA C 20 58.446 55.793 2.653 1
1 133 . 13 1 1 A 20 20 LYS HA H 20 4.045 4.182 -0.137 1
1 134 . 13 1 1 A 20 20 LYS CB C 20 33.391 32.250 1.141 1
1 146 . 13 1 1 A 20 20 LYS C C 20 174.750 175.235 -0.485 1
1 147 . 13 1 1 A 21 21 SER N N 21 114.286 122.900 -8.614 1
1 148 . 13 1 1 A 21 21 SER H H 21 7.863 8.687 -0.824 1
1 149 . 13 1 1 A 21 21 SER CA C 21 56.933 57.994 -1.061 1
1 150 . 13 1 1 A 21 21 SER HA H 21 5.398 5.074 0.324 1
1 151 . 13 1 1 A 21 21 SER CB C 21 66.461 64.723 1.738 1
1 154 . 13 1 1 A 21 21 SER C C 21 172.635 173.024 -0.389 1
1 155 . 13 1 1 A 22 22 TYR N N 22 117.528 122.196 -4.668 1
1 156 . 13 1 1 A 22 22 TYR H H 22 8.774 8.671 0.103 1
1 157 . 13 1 1 A 22 22 TYR CA C 22 58.061 56.521 1.540 1
1 158 . 13 1 1 A 22 22 TYR HA H 22 4.750 4.986 -0.236 1
1 159 . 13 1 1 A 22 22 TYR CB C 22 44.125 42.677 1.448 1
1 170 . 13 1 1 A 22 22 TYR C C 22 174.955 176.091 -1.136 1
1 171 . 13 1 1 A 23 23 ASN N N 23 118.657 120.420 -1.763 1
1 172 . 13 1 1 A 23 23 ASN H H 23 9.444 8.692 0.752 1
1 173 . 13 1 1 A 23 23 ASN CA C 23 54.765 55.646 -0.881 1
1 174 . 13 1 1 A 23 23 ASN HA H 23 5.029 4.739 0.290 1
1 175 . 13 1 1 A 23 23 ASN CB C 23 40.282 39.739 0.543 1
1 181 . 13 1 1 A 23 23 ASN C C 23 175.004 175.930 -0.926 1
1 182 . 13 1 1 A 24 24 GLN N N 24 114.619 117.901 -3.282 1
1 183 . 13 1 1 A 24 24 GLN H H 24 7.579 8.115 -0.536 1
1 184 . 13 1 1 A 24 24 GLN CA C 24 54.151 54.658 -0.507 1
1 185 . 13 1 1 A 24 24 GLN HA H 24 4.692 4.937 -0.245 1
1 186 . 13 1 1 A 24 24 GLN CB C 24 31.829 30.476 1.353 1
1 195 . 13 1 1 A 24 24 GLN C C 24 175.731 176.104 -0.373 1
1 196 . 13 1 1 A 25 25 ARG N N 25 127.274 121.423 5.851 1
1 197 . 13 1 1 A 25 25 ARG H H 25 8.350 8.696 -0.346 1
1 198 . 13 1 1 A 25 25 ARG CA C 25 59.687 58.241 1.446 1
1 199 . 13 1 1 A 25 25 ARG HA H 25 2.879 3.200 -0.321 1
1 200 . 13 1 1 A 25 25 ARG CB C 25 29.082 29.301 -0.219 1
1 209 . 13 1 1 A 25 25 ARG C C 25 178.363 178.067 0.296 1
1 210 . 13 1 1 A 26 26 VAL N N 26 115.093 118.624 -3.531 1
1 211 . 13 1 1 A 26 26 VAL H H 26 8.274 7.750 0.524 1
1 212 . 13 1 1 A 26 26 VAL CA C 26 64.611 64.155 0.456 1
1 213 . 13 1 1 A 26 26 VAL HA H 26 3.908 3.773 0.135 1
1 214 . 13 1 1 A 26 26 VAL CB C 26 31.070 31.490 -0.420 1
1 224 . 13 1 1 A 26 26 VAL C C 26 176.893 176.714 0.179 1
1 225 . 13 1 1 A 27 27 HIS N N 27 119.161 118.618 0.543 1
1 226 . 13 1 1 A 27 27 HIS H H 27 6.525 7.479 -0.954 1
1 227 . 13 1 1 A 27 27 HIS CA C 27 57.177 58.961 -1.784 1
1 228 . 13 1 1 A 27 27 HIS HA H 27 4.387 4.356 0.031 1
1 229 . 13 1 1 A 27 27 HIS CB C 27 31.423 30.639 0.784 1
1 236 . 13 1 1 A 27 27 HIS C C 27 178.508 177.223 1.285 1
1 237 . 13 1 1 A 28 28 LEU N N 28 121.662 121.528 0.134 1
1 238 . 13 1 1 A 28 28 LEU H H 28 7.064 7.682 -0.618 1
1 239 . 13 1 1 A 28 28 LEU CA C 28 58.041 57.729 0.312 1
1 240 . 13 1 1 A 28 28 LEU HA H 28 3.807 3.642 0.165 1
1 241 . 13 1 1 A 28 28 LEU CB C 28 40.232 41.680 -1.448 1
1 254 . 13 1 1 A 28 28 LEU C C 28 177.776 178.075 -0.299 1
1 255 . 13 1 1 A 29 29 THR N N 29 116.331 114.098 2.233 1
1 256 . 13 1 1 A 29 29 THR H H 29 8.606 7.919 0.687 1
1 257 . 13 1 1 A 29 29 THR CA C 29 66.300 65.424 0.876 1
1 258 . 13 1 1 A 29 29 THR HA H 29 4.009 3.776 0.233 1
1 259 . 13 1 1 A 29 29 THR CB C 29 68.317 68.980 -0.663 1
1 265 . 13 1 1 A 29 29 THR C C 29 177.336 176.669 0.667 1
1 266 . 13 1 1 A 30 30 GLN N N 30 119.465 120.583 -1.118 1
1 267 . 13 1 1 A 30 30 GLN H H 30 7.838 7.781 0.057 1
1 268 . 13 1 1 A 30 30 GLN CA C 30 58.851 58.675 0.176 1
1 269 . 13 1 1 A 30 30 GLN HA H 30 3.969 4.063 -0.094 1
1 270 . 13 1 1 A 30 30 GLN CB C 30 28.349 28.415 -0.066 1
1 279 . 13 1 1 A 30 30 GLN C C 30 178.722 178.239 0.483 1
1 280 . 13 1 1 A 31 31 HIS N N 31 119.993 121.055 -1.062 1
1 281 . 13 1 1 A 31 31 HIS H H 31 7.664 8.123 -0.459 1
1 282 . 13 1 1 A 31 31 HIS CA C 31 59.107 59.353 -0.246 1
1 283 . 13 1 1 A 31 31 HIS HA H 31 4.287 4.179 0.108 1
1 284 . 13 1 1 A 31 31 HIS CB C 31 28.026 29.970 -1.944 1
1 291 . 13 1 1 A 31 31 HIS C C 31 176.251 177.574 -1.323 1
1 292 . 13 1 1 A 32 32 GLN N N 32 115.117 117.825 -2.708 1
1 293 . 13 1 1 A 32 32 GLN H H 32 8.424 8.309 0.115 1
1 294 . 13 1 1 A 32 32 GLN CA C 32 59.472 58.940 0.532 1
1 295 . 13 1 1 A 32 32 GLN HA H 32 3.613 3.739 -0.126 1
1 296 . 13 1 1 A 32 32 GLN CB C 32 28.286 28.299 -0.013 1
1 305 . 13 1 1 A 32 32 GLN C C 32 177.186 178.715 -1.529 1
1 306 . 13 1 1 A 33 33 ARG N N 33 117.852 119.783 -1.931 1
1 307 . 13 1 1 A 33 33 ARG H H 33 7.105 8.156 -1.051 1
1 308 . 13 1 1 A 33 33 ARG CA C 33 58.492 58.552 -0.060 1
1 309 . 13 1 1 A 33 33 ARG HA H 33 4.149 4.283 -0.134 1
1 310 . 13 1 1 A 33 33 ARG CB C 33 30.080 29.840 0.240 1
1 319 . 13 1 1 A 33 33 ARG C C 33 178.535 178.702 -0.167 1
1 320 . 13 1 1 A 34 34 VAL N N 34 115.844 117.062 -1.218 1
1 321 . 13 1 1 A 34 34 VAL H H 34 7.971 7.515 0.456 1
1 322 . 13 1 1 A 34 34 VAL CA C 34 63.982 65.140 -1.158 1
1 323 . 13 1 1 A 34 34 VAL HA H 34 3.936 3.658 0.278 1
1 324 . 13 1 1 A 34 34 VAL CB C 34 31.159 31.293 -0.134 1
1 334 . 13 1 1 A 34 34 VAL C C 34 177.254 178.047 -0.793 1
1 335 . 13 1 1 A 35 35 HIS N N 35 117.345 119.756 -2.411 1
1 336 . 13 1 1 A 35 35 HIS H H 35 7.225 7.641 -0.416 1
1 337 . 13 1 1 A 35 35 HIS CA C 35 55.058 58.506 -3.448 1
1 338 . 13 1 1 A 35 35 HIS HA H 35 4.895 4.369 0.526 1
1 339 . 13 1 1 A 35 35 HIS CB C 35 28.620 30.913 -2.293 1
1 346 . 13 1 1 A 35 35 HIS C C 35 175.716 175.346 0.370 1
1 347 . 13 1 1 A 36 36 THR N N 36 111.842 111.567 0.275 1
1 348 . 13 1 1 A 36 36 THR H H 36 7.775 7.750 0.025 1
1 349 . 13 1 1 A 36 36 THR CA C 36 62.514 62.667 -0.153 1
1 350 . 13 1 1 A 36 36 THR HA H 36 4.374 4.116 0.258 1
1 351 . 13 1 1 A 36 36 THR CB C 36 69.853 69.208 0.645 1
1 357 . 13 1 1 A 36 36 THR C C 36 175.509 174.936 0.573 1
1 358 . 13 1 1 A 37 37 GLY N N 37 110.650 112.522 -1.872 1
1 359 . 13 1 1 A 37 37 GLY H H 37 8.235 8.932 -0.697 1
1 360 . 13 1 1 A 37 37 GLY CA C 37 45.420 46.738 -1.318 1
1 361 . 13 1 1 A 37 37 GLY HA2 H 37 3.960 3.914 0.046 1
1 362 . 13 1 1 A 37 37 GLY HA3 H 37 4.040 3.917 0.123 1
1 363 . 13 1 1 A 37 37 GLY C C 37 173.979 174.861 -0.882 1
1 364 . 13 1 1 A 38 38 GLU N N 38 120.601 120.103 0.498 1
1 365 . 13 1 1 A 38 38 GLU H H 38 8.101 8.014 0.087 1
1 366 . 13 1 1 A 38 38 GLU CA C 38 56.476 56.728 -0.252 1
1 367 . 13 1 1 A 38 38 GLU HA H 38 4.255 4.299 -0.044 1
1 368 . 13 1 1 A 38 38 GLU CB C 38 30.561 30.567 -0.006 1
1 374 . 13 1 1 A 38 38 GLU C C 38 176.212 176.314 -0.102 1
1 375 . 13 1 1 A 39 39 LYS N N 39 123.814 124.757 -0.943 1
1 376 . 13 1 1 A 39 39 LYS H H 39 8.413 8.507 -0.094 1
1 377 . 13 1 1 A 39 39 LYS CA C 39 54.245 54.937 -0.692 1
1 378 . 13 1 1 A 39 39 LYS HA H 39 4.618 4.284 0.334 1
1 379 . 13 1 1 A 39 39 LYS CB C 39 32.519 31.876 0.643 1
1 391 . 13 1 1 A 39 39 LYS C C 39 174.467 176.766 -2.299 1
1 392 . 13 1 1 A 40 40 PRO CA C 40 63.219 64.570 -1.351 1
1 393 . 13 1 1 A 40 40 PRO HA H 40 4.467 4.463 0.004 1
1 394 . 13 1 1 A 40 40 PRO CB C 40 32.203 32.246 -0.043 1
1 403 . 13 1 1 A 40 40 PRO C C 40 173.930 175.980 -2.050 1
1 404 . 13 1 1 A 41 41 SER N N 41 116.519 108.166 8.353 1
1 405 . 13 1 1 A 41 41 SER H H 41 8.488 7.897 0.591 1
1 406 . 13 1 1 A 41 41 SER C C 41 178.949 173.290 5.659 1
1 407 . 13 1 1 A 42 42 GLY CA C 42 44.689 45.776 -1.087 1
1 408 . 13 1 1 A 42 42 GLY HA2 H 42 4.119 4.111 0.008 1
1 409 . 13 1 1 A 42 42 GLY HA3 H 42 4.173 4.112 0.061 1
1 410 . 13 1 1 A 43 43 PRO CA C 43 63.267 64.747 -1.480 1
1 411 . 13 1 1 A 43 43 PRO HA H 43 4.485 4.428 0.057 1
1 412 . 13 1 1 A 43 43 PRO CB C 43 32.227 32.077 0.150 1
1 421 . 13 1 1 A 45 45 SER CA C 45 58.370 57.747 0.623 1
1 422 . 13 1 1 A 45 45 SER HA H 45 4.495 4.547 -0.052 1
1 423 . 13 1 1 A 45 45 SER CB C 45 64.018 63.496 0.522 1
1 425 . 13 1 1 A 45 45 SER C C 45 173.890 175.658 -1.768 1
1 1 . 14 1 1 A 8 8 THR CA C 8 61.919 66.123 -4.204 1
1 2 . 14 1 1 A 8 8 THR HA H 8 4.367 3.982 0.385 1
1 3 . 14 1 1 A 8 8 THR CB C 8 69.796 68.632 1.164 1
1 9 . 14 1 1 A 8 8 THR C C 8 175.193 174.907 0.286 1
1 10 . 14 1 1 A 9 9 GLY N N 9 111.079 104.987 6.092 1
1 11 . 14 1 1 A 9 9 GLY H H 9 8.450 7.335 1.115 1
1 12 . 14 1 1 A 9 9 GLY CA C 9 45.243 45.956 -0.713 1
1 13 . 14 1 1 A 9 9 GLY HA2 H 9 3.956 4.002 -0.046 1
1 14 . 14 1 1 A 9 9 GLY HA3 H 9 3.956 4.002 -0.046 1
1 15 . 14 1 1 A 9 9 GLY C C 9 173.979 172.282 1.697 1
1 16 . 14 1 1 A 10 10 GLU N N 10 120.501 121.901 -1.400 1
1 17 . 14 1 1 A 10 10 GLU H H 10 8.192 8.499 -0.307 1
1 18 . 14 1 1 A 10 10 GLU CA C 10 56.560 55.945 0.615 1
1 19 . 14 1 1 A 10 10 GLU HA H 10 4.198 4.537 -0.339 1
1 20 . 14 1 1 A 10 10 GLU CB C 10 30.474 30.850 -0.376 1
1 26 . 14 1 1 A 10 10 GLU C C 10 176.188 175.962 0.226 1
1 27 . 14 1 1 A 11 11 LYS N N 11 122.926 124.562 -1.636 1
1 28 . 14 1 1 A 11 11 LYS H H 11 8.346 8.560 -0.214 1
1 29 . 14 1 1 A 11 11 LYS CA C 11 54.399 52.872 1.527 1
1 30 . 14 1 1 A 11 11 LYS HA H 11 4.447 4.680 -0.233 1
1 31 . 14 1 1 A 11 11 LYS CB C 11 32.473 33.250 -0.777 1
1 43 . 14 1 1 A 11 11 LYS C C 11 174.709 176.131 -1.422 1
1 44 . 14 1 1 A 12 12 PRO CA C 12 64.071 63.786 0.285 1
1 45 . 14 1 1 A 12 12 PRO HA H 12 4.194 4.248 -0.054 1
1 46 . 14 1 1 A 12 12 PRO CB C 12 32.233 31.105 1.128 1
1 55 . 14 1 1 A 12 12 PRO C C 12 176.563 175.730 0.833 1
1 56 . 14 1 1 A 13 13 PHE N N 13 117.437 118.460 -1.023 1
1 57 . 14 1 1 A 13 13 PHE H H 13 7.906 7.292 0.614 1
1 58 . 14 1 1 A 13 13 PHE CA C 13 57.216 56.137 1.079 1
1 59 . 14 1 1 A 13 13 PHE HA H 13 4.733 5.319 -0.586 1
1 60 . 14 1 1 A 13 13 PHE CB C 13 38.760 43.630 -4.870 1
1 73 . 14 1 1 A 13 13 PHE C C 13 174.019 174.336 -0.317 1
1 74 . 14 1 1 A 14 14 LYS N N 14 125.906 122.552 3.354 1
1 75 . 14 1 1 A 14 14 LYS H H 14 8.558 8.876 -0.318 1
1 76 . 14 1 1 A 14 14 LYS CA C 14 55.253 55.475 -0.222 1
1 77 . 14 1 1 A 14 14 LYS HA H 14 4.753 4.762 -0.009 1
1 78 . 14 1 1 A 14 14 LYS CB C 14 35.471 36.470 -0.999 1
1 90 . 14 1 1 A 14 14 LYS C C 14 175.156 174.844 0.312 1
1 91 . 14 1 1 A 15 15 CYS N N 15 128.017 124.741 3.276 1
1 92 . 14 1 1 A 15 15 CYS H H 15 9.322 8.828 0.494 1
1 93 . 14 1 1 A 15 15 CYS CA C 15 59.976 58.666 1.310 1
1 94 . 14 1 1 A 15 15 CYS HA H 15 4.451 4.657 -0.206 1
1 95 . 14 1 1 A 15 15 CYS CB C 15 29.411 27.867 1.544 1
1 98 . 14 1 1 A 15 15 CYS C C 15 177.343 176.772 0.571 1
1 99 . 14 1 1 A 16 16 GLY N N 16 120.643 114.865 5.778 1
1 100 . 14 1 1 A 16 16 GLY H H 16 9.425 8.815 0.610 1
1 101 . 14 1 1 A 16 16 GLY CA C 16 46.692 46.686 0.006 1
1 102 . 14 1 1 A 16 16 GLY HA2 H 16 3.969 3.909 0.060 1
1 103 . 14 1 1 A 16 16 GLY HA3 H 16 4.034 3.909 0.125 1
1 104 . 14 1 1 A 16 16 GLY C C 16 174.008 173.863 0.145 1
1 105 . 14 1 1 A 17 17 GLU N N 17 121.284 117.402 3.882 1
1 106 . 14 1 1 A 17 17 GLU H H 17 8.683 8.027 0.656 1
1 107 . 14 1 1 A 17 17 GLU CA C 17 57.922 56.934 0.988 1
1 108 . 14 1 1 A 17 17 GLU HA H 17 4.295 4.499 -0.204 1
1 109 . 14 1 1 A 17 17 GLU CB C 17 29.778 32.073 -2.295 1
1 115 . 14 1 1 A 17 17 GLU C C 17 177.066 177.726 -0.660 1
1 116 . 14 1 1 A 18 18 CYS N N 18 115.033 114.800 0.233 1
1 117 . 14 1 1 A 18 18 CYS H H 18 7.942 8.129 -0.187 1
1 118 . 14 1 1 A 18 18 CYS CA C 18 58.453 59.300 -0.847 1
1 119 . 14 1 1 A 18 18 CYS HA H 18 5.187 4.666 0.521 1
1 120 . 14 1 1 A 18 18 CYS CB C 18 32.524 30.130 2.394 1
1 123 . 14 1 1 A 18 18 CYS C C 18 176.135 175.390 0.745 1
1 124 . 14 1 1 A 19 19 GLY N N 19 112.484 110.208 2.276 1
1 125 . 14 1 1 A 19 19 GLY H H 19 8.139 8.159 -0.020 1
1 126 . 14 1 1 A 19 19 GLY CA C 19 46.297 45.273 1.024 1
1 127 . 14 1 1 A 19 19 GLY HA2 H 19 4.269 4.070 0.199 1
1 128 . 14 1 1 A 19 19 GLY HA3 H 19 3.800 4.077 -0.277 1
1 129 . 14 1 1 A 19 19 GLY C C 19 174.065 174.226 -0.161 1
1 130 . 14 1 1 A 20 20 LYS N N 20 123.711 120.448 3.263 1
1 131 . 14 1 1 A 20 20 LYS H H 20 8.048 7.923 0.125 1
1 132 . 14 1 1 A 20 20 LYS CA C 20 58.446 55.183 3.263 1
1 133 . 14 1 1 A 20 20 LYS HA H 20 4.045 4.343 -0.298 1
1 134 . 14 1 1 A 20 20 LYS CB C 20 33.391 33.553 -0.162 1
1 146 . 14 1 1 A 20 20 LYS C C 20 174.750 174.916 -0.166 1
1 147 . 14 1 1 A 21 21 SER N N 21 114.286 121.107 -6.821 1
1 148 . 14 1 1 A 21 21 SER H H 21 7.863 8.639 -0.776 1
1 149 . 14 1 1 A 21 21 SER CA C 21 56.933 56.535 0.398 1
1 150 . 14 1 1 A 21 21 SER HA H 21 5.398 5.025 0.373 1
1 151 . 14 1 1 A 21 21 SER CB C 21 66.461 64.661 1.800 1
1 154 . 14 1 1 A 21 21 SER C C 21 172.635 173.057 -0.422 1
1 155 . 14 1 1 A 22 22 TYR N N 22 117.528 120.571 -3.043 1
1 156 . 14 1 1 A 22 22 TYR H H 22 8.774 8.257 0.517 1
1 157 . 14 1 1 A 22 22 TYR CA C 22 58.061 56.559 1.502 1
1 158 . 14 1 1 A 22 22 TYR HA H 22 4.750 5.002 -0.252 1
1 159 . 14 1 1 A 22 22 TYR CB C 22 44.125 41.968 2.157 1
1 170 . 14 1 1 A 22 22 TYR C C 22 174.955 176.107 -1.152 1
1 171 . 14 1 1 A 23 23 ASN N N 23 118.657 122.485 -3.828 1
1 172 . 14 1 1 A 23 23 ASN H H 23 9.444 8.819 0.625 1
1 173 . 14 1 1 A 23 23 ASN CA C 23 54.765 56.327 -1.562 1
1 174 . 14 1 1 A 23 23 ASN HA H 23 5.029 4.511 0.518 1
1 175 . 14 1 1 A 23 23 ASN CB C 23 40.282 38.306 1.976 1
1 181 . 14 1 1 A 23 23 ASN C C 23 175.004 175.993 -0.989 1
1 182 . 14 1 1 A 24 24 GLN N N 24 114.619 117.427 -2.808 1
1 183 . 14 1 1 A 24 24 GLN H H 24 7.579 8.125 -0.546 1
1 184 . 14 1 1 A 24 24 GLN CA C 24 54.151 54.614 -0.463 1
1 185 . 14 1 1 A 24 24 GLN HA H 24 4.692 4.966 -0.274 1
1 186 . 14 1 1 A 24 24 GLN CB C 24 31.829 30.636 1.193 1
1 195 . 14 1 1 A 24 24 GLN C C 24 175.731 176.430 -0.699 1
1 196 . 14 1 1 A 25 25 ARG N N 25 127.274 123.234 4.040 1
1 197 . 14 1 1 A 25 25 ARG H H 25 8.350 8.794 -0.444 1
1 198 . 14 1 1 A 25 25 ARG CA C 25 59.687 57.906 1.781 1
1 199 . 14 1 1 A 25 25 ARG HA H 25 2.879 3.129 -0.250 1
1 200 . 14 1 1 A 25 25 ARG CB C 25 29.082 29.175 -0.093 1
1 209 . 14 1 1 A 25 25 ARG C C 25 178.363 177.205 1.158 1
1 210 . 14 1 1 A 26 26 VAL N N 26 115.093 118.291 -3.198 1
1 211 . 14 1 1 A 26 26 VAL H H 26 8.274 7.912 0.362 1
1 212 . 14 1 1 A 26 26 VAL CA C 26 64.611 64.971 -0.360 1
1 213 . 14 1 1 A 26 26 VAL HA H 26 3.908 3.648 0.260 1
1 214 . 14 1 1 A 26 26 VAL CB C 26 31.070 31.001 0.069 1
1 224 . 14 1 1 A 26 26 VAL C C 26 176.893 177.501 -0.608 1
1 225 . 14 1 1 A 27 27 HIS N N 27 119.161 119.250 -0.089 1
1 226 . 14 1 1 A 27 27 HIS H H 27 6.525 7.689 -1.164 1
1 227 . 14 1 1 A 27 27 HIS CA C 27 57.177 59.951 -2.774 1
1 228 . 14 1 1 A 27 27 HIS HA H 27 4.387 4.177 0.210 1
1 229 . 14 1 1 A 27 27 HIS CB C 27 31.423 29.728 1.695 1
1 236 . 14 1 1 A 27 27 HIS C C 27 178.508 177.450 1.058 1
1 237 . 14 1 1 A 28 28 LEU N N 28 121.662 121.312 0.350 1
1 238 . 14 1 1 A 28 28 LEU H H 28 7.064 8.241 -1.177 1
1 239 . 14 1 1 A 28 28 LEU CA C 28 58.041 57.882 0.159 1
1 240 . 14 1 1 A 28 28 LEU HA H 28 3.807 3.791 0.016 1
1 241 . 14 1 1 A 28 28 LEU CB C 28 40.232 41.752 -1.520 1
1 254 . 14 1 1 A 28 28 LEU C C 28 177.776 178.222 -0.446 1
1 255 . 14 1 1 A 29 29 THR N N 29 116.331 114.096 2.235 1
1 256 . 14 1 1 A 29 29 THR H H 29 8.606 8.054 0.552 1
1 257 . 14 1 1 A 29 29 THR CA C 29 66.300 65.252 1.048 1
1 258 . 14 1 1 A 29 29 THR HA H 29 4.009 3.769 0.240 1
1 259 . 14 1 1 A 29 29 THR CB C 29 68.317 68.998 -0.681 1
1 265 . 14 1 1 A 29 29 THR C C 29 177.336 176.776 0.560 1
1 266 . 14 1 1 A 30 30 GLN N N 30 119.465 120.204 -0.739 1
1 267 . 14 1 1 A 30 30 GLN H H 30 7.838 7.512 0.326 1
1 268 . 14 1 1 A 30 30 GLN CA C 30 58.851 58.668 0.183 1
1 269 . 14 1 1 A 30 30 GLN HA H 30 3.969 4.077 -0.108 1
1 270 . 14 1 1 A 30 30 GLN CB C 30 28.349 28.450 -0.101 1
1 279 . 14 1 1 A 30 30 GLN C C 30 178.722 178.260 0.462 1
1 280 . 14 1 1 A 31 31 HIS N N 31 119.993 121.038 -1.045 1
1 281 . 14 1 1 A 31 31 HIS H H 31 7.664 7.907 -0.243 1
1 282 . 14 1 1 A 31 31 HIS CA C 31 59.107 59.751 -0.644 1
1 283 . 14 1 1 A 31 31 HIS HA H 31 4.287 4.145 0.142 1
1 284 . 14 1 1 A 31 31 HIS CB C 31 28.026 29.352 -1.326 1
1 291 . 14 1 1 A 31 31 HIS C C 31 176.251 177.346 -1.095 1
1 292 . 14 1 1 A 32 32 GLN N N 32 115.117 118.556 -3.439 1
1 293 . 14 1 1 A 32 32 GLN H H 32 8.424 8.131 0.293 1
1 294 . 14 1 1 A 32 32 GLN CA C 32 59.472 58.203 1.269 1
1 295 . 14 1 1 A 32 32 GLN HA H 32 3.613 3.819 -0.206 1
1 296 . 14 1 1 A 32 32 GLN CB C 32 28.286 28.463 -0.177 1
1 305 . 14 1 1 A 32 32 GLN C C 32 177.186 177.760 -0.574 1
1 306 . 14 1 1 A 33 33 ARG N N 33 117.852 119.199 -1.347 1
1 307 . 14 1 1 A 33 33 ARG H H 33 7.105 7.909 -0.804 1
1 308 . 14 1 1 A 33 33 ARG CA C 33 58.492 58.342 0.150 1
1 309 . 14 1 1 A 33 33 ARG HA H 33 4.149 4.001 0.148 1
1 310 . 14 1 1 A 33 33 ARG CB C 33 30.080 29.959 0.121 1
1 319 . 14 1 1 A 33 33 ARG C C 33 178.535 177.979 0.556 1
1 320 . 14 1 1 A 34 34 VAL N N 34 115.844 117.165 -1.321 1
1 321 . 14 1 1 A 34 34 VAL H H 34 7.971 7.167 0.804 1
1 322 . 14 1 1 A 34 34 VAL CA C 34 63.982 65.266 -1.284 1
1 323 . 14 1 1 A 34 34 VAL HA H 34 3.936 3.716 0.220 1
1 324 . 14 1 1 A 34 34 VAL CB C 34 31.159 31.137 0.022 1
1 334 . 14 1 1 A 34 34 VAL C C 34 177.254 177.759 -0.505 1
1 335 . 14 1 1 A 35 35 HIS N N 35 117.345 120.262 -2.917 1
1 336 . 14 1 1 A 35 35 HIS H H 35 7.225 7.113 0.112 1
1 337 . 14 1 1 A 35 35 HIS CA C 35 55.058 58.716 -3.658 1
1 338 . 14 1 1 A 35 35 HIS HA H 35 4.895 4.419 0.476 1
1 339 . 14 1 1 A 35 35 HIS CB C 35 28.620 30.529 -1.909 1
1 346 . 14 1 1 A 35 35 HIS C C 35 175.716 177.528 -1.812 1
1 347 . 14 1 1 A 36 36 THR N N 36 111.842 114.409 -2.567 1
1 348 . 14 1 1 A 36 36 THR H H 36 7.775 8.478 -0.703 1
1 349 . 14 1 1 A 36 36 THR CA C 36 62.514 65.151 -2.637 1
1 350 . 14 1 1 A 36 36 THR HA H 36 4.374 3.907 0.467 1
1 351 . 14 1 1 A 36 36 THR CB C 36 69.853 69.232 0.621 1
1 357 . 14 1 1 A 36 36 THR C C 36 175.509 174.672 0.837 1
1 358 . 14 1 1 A 37 37 GLY N N 37 110.650 108.522 2.128 1
1 359 . 14 1 1 A 37 37 GLY H H 37 8.235 7.804 0.431 1
1 360 . 14 1 1 A 37 37 GLY CA C 37 45.420 44.899 0.521 1
1 361 . 14 1 1 A 37 37 GLY HA2 H 37 3.960 3.965 -0.005 1
1 362 . 14 1 1 A 37 37 GLY HA3 H 37 4.040 3.978 0.062 1
1 363 . 14 1 1 A 37 37 GLY C C 37 173.979 172.446 1.533 1
1 364 . 14 1 1 A 38 38 GLU N N 38 120.601 120.131 0.470 1
1 365 . 14 1 1 A 38 38 GLU H H 38 8.101 8.373 -0.272 1
1 366 . 14 1 1 A 38 38 GLU CA C 38 56.476 55.532 0.944 1
1 367 . 14 1 1 A 38 38 GLU HA H 38 4.255 5.105 -0.850 1
1 368 . 14 1 1 A 38 38 GLU CB C 38 30.561 33.866 -3.305 1
1 374 . 14 1 1 A 38 38 GLU C C 38 176.212 174.319 1.893 1
1 375 . 14 1 1 A 39 39 LYS N N 39 123.814 125.747 -1.933 1
1 376 . 14 1 1 A 39 39 LYS H H 39 8.413 8.695 -0.282 1
1 377 . 14 1 1 A 39 39 LYS CA C 39 54.245 53.144 1.101 1
1 378 . 14 1 1 A 39 39 LYS HA H 39 4.618 4.772 -0.154 1
1 379 . 14 1 1 A 39 39 LYS CB C 39 32.519 36.667 -4.148 1
1 391 . 14 1 1 A 39 39 LYS C C 39 174.467 174.319 0.148 1
1 392 . 14 1 1 A 40 40 PRO CA C 40 63.219 62.510 0.709 1
1 393 . 14 1 1 A 40 40 PRO HA H 40 4.467 4.561 -0.094 1
1 394 . 14 1 1 A 40 40 PRO CB C 40 32.203 32.318 -0.115 1
1 403 . 14 1 1 A 40 40 PRO C C 40 173.930 176.276 -2.346 1
1 404 . 14 1 1 A 41 41 SER N N 41 116.519 117.971 -1.452 1
1 405 . 14 1 1 A 41 41 SER H H 41 8.488 8.444 0.044 1
1 406 . 14 1 1 A 41 41 SER C C 41 178.949 173.705 5.244 1
1 407 . 14 1 1 A 42 42 GLY CA C 42 44.689 44.305 0.384 1
1 408 . 14 1 1 A 42 42 GLY HA2 H 42 4.119 4.131 -0.012 1
1 409 . 14 1 1 A 42 42 GLY HA3 H 42 4.173 4.131 0.042 1
1 410 . 14 1 1 A 43 43 PRO CA C 43 63.267 62.511 0.756 1
1 411 . 14 1 1 A 43 43 PRO HA H 43 4.485 4.585 -0.100 1
1 412 . 14 1 1 A 43 43 PRO CB C 43 32.227 33.194 -0.967 1
1 421 . 14 1 1 A 45 45 SER CA C 45 58.370 59.331 -0.961 1
1 422 . 14 1 1 A 45 45 SER HA H 45 4.495 4.707 -0.212 1
1 423 . 14 1 1 A 45 45 SER CB C 45 64.018 65.249 -1.231 1
1 425 . 14 1 1 A 45 45 SER C C 45 173.890 175.811 -1.921 1
1 1 . 15 1 1 A 8 8 THR CA C 8 61.919 62.694 -0.775 1
1 2 . 15 1 1 A 8 8 THR HA H 8 4.367 4.562 -0.195 1
1 3 . 15 1 1 A 8 8 THR CB C 8 69.796 70.505 -0.709 1
1 9 . 15 1 1 A 8 8 THR C C 8 175.193 175.071 0.122 1
1 10 . 15 1 1 A 9 9 GLY N N 9 111.079 108.091 2.988 1
1 11 . 15 1 1 A 9 9 GLY H H 9 8.450 7.928 0.522 1
1 12 . 15 1 1 A 9 9 GLY CA C 9 45.243 46.660 -1.417 1
1 13 . 15 1 1 A 9 9 GLY HA2 H 9 3.956 3.970 -0.014 1
1 14 . 15 1 1 A 9 9 GLY HA3 H 9 3.956 3.973 -0.017 1
1 15 . 15 1 1 A 9 9 GLY C C 9 173.979 173.370 0.609 1
1 16 . 15 1 1 A 10 10 GLU N N 10 120.501 119.097 1.404 1
1 17 . 15 1 1 A 10 10 GLU H H 10 8.192 8.024 0.168 1
1 18 . 15 1 1 A 10 10 GLU CA C 10 56.560 54.505 2.055 1
1 19 . 15 1 1 A 10 10 GLU HA H 10 4.198 5.029 -0.831 1
1 20 . 15 1 1 A 10 10 GLU CB C 10 30.474 33.181 -2.707 1
1 26 . 15 1 1 A 10 10 GLU C C 10 176.188 175.292 0.896 1
1 27 . 15 1 1 A 11 11 LYS N N 11 122.926 121.979 0.947 1
1 28 . 15 1 1 A 11 11 LYS H H 11 8.346 8.550 -0.204 1
1 29 . 15 1 1 A 11 11 LYS CA C 11 54.399 55.016 -0.617 1
1 30 . 15 1 1 A 11 11 LYS HA H 11 4.447 4.292 0.155 1
1 31 . 15 1 1 A 11 11 LYS CB C 11 32.473 31.801 0.672 1
1 43 . 15 1 1 A 11 11 LYS C C 11 174.709 176.549 -1.840 1
1 44 . 15 1 1 A 12 12 PRO CA C 12 64.071 64.247 -0.176 1
1 45 . 15 1 1 A 12 12 PRO HA H 12 4.194 4.244 -0.050 1
1 46 . 15 1 1 A 12 12 PRO CB C 12 32.233 31.415 0.818 1
1 55 . 15 1 1 A 12 12 PRO C C 12 176.563 175.699 0.864 1
1 56 . 15 1 1 A 13 13 PHE N N 13 117.437 118.153 -0.716 1
1 57 . 15 1 1 A 13 13 PHE H H 13 7.906 7.458 0.448 1
1 58 . 15 1 1 A 13 13 PHE CA C 13 57.216 56.079 1.137 1
1 59 . 15 1 1 A 13 13 PHE HA H 13 4.733 5.344 -0.611 1
1 60 . 15 1 1 A 13 13 PHE CB C 13 38.760 42.698 -3.938 1
1 73 . 15 1 1 A 13 13 PHE C C 13 174.019 174.494 -0.475 1
1 74 . 15 1 1 A 14 14 LYS N N 14 125.906 120.799 5.107 1
1 75 . 15 1 1 A 14 14 LYS H H 14 8.558 8.743 -0.185 1
1 76 . 15 1 1 A 14 14 LYS CA C 14 55.253 55.908 -0.655 1
1 77 . 15 1 1 A 14 14 LYS HA H 14 4.753 4.737 0.016 1
1 78 . 15 1 1 A 14 14 LYS CB C 14 35.471 36.618 -1.147 1
1 90 . 15 1 1 A 14 14 LYS C C 14 175.156 174.502 0.654 1
1 91 . 15 1 1 A 15 15 CYS N N 15 128.017 123.962 4.055 1
1 92 . 15 1 1 A 15 15 CYS H H 15 9.322 9.161 0.161 1
1 93 . 15 1 1 A 15 15 CYS CA C 15 59.976 58.337 1.639 1
1 94 . 15 1 1 A 15 15 CYS HA H 15 4.451 4.795 -0.344 1
1 95 . 15 1 1 A 15 15 CYS CB C 15 29.411 27.927 1.484 1
1 98 . 15 1 1 A 15 15 CYS C C 15 177.343 176.402 0.941 1
1 99 . 15 1 1 A 16 16 GLY N N 16 120.643 114.815 5.828 1
1 100 . 15 1 1 A 16 16 GLY H H 16 9.425 8.850 0.575 1
1 101 . 15 1 1 A 16 16 GLY CA C 16 46.692 46.716 -0.024 1
1 102 . 15 1 1 A 16 16 GLY HA2 H 16 3.969 3.901 0.068 1
1 103 . 15 1 1 A 16 16 GLY HA3 H 16 4.034 3.901 0.133 1
1 104 . 15 1 1 A 16 16 GLY C C 16 174.008 173.857 0.151 1
1 105 . 15 1 1 A 17 17 GLU N N 17 121.284 117.535 3.749 1
1 106 . 15 1 1 A 17 17 GLU H H 17 8.683 7.850 0.833 1
1 107 . 15 1 1 A 17 17 GLU CA C 17 57.922 56.935 0.987 1
1 108 . 15 1 1 A 17 17 GLU HA H 17 4.295 4.475 -0.180 1
1 109 . 15 1 1 A 17 17 GLU CB C 17 29.778 32.250 -2.472 1
1 115 . 15 1 1 A 17 17 GLU C C 17 177.066 177.614 -0.548 1
1 116 . 15 1 1 A 18 18 CYS N N 18 115.033 114.511 0.522 1
1 117 . 15 1 1 A 18 18 CYS H H 18 7.942 7.606 0.336 1
1 118 . 15 1 1 A 18 18 CYS CA C 18 58.453 59.455 -1.002 1
1 119 . 15 1 1 A 18 18 CYS HA H 18 5.187 4.646 0.541 1
1 120 . 15 1 1 A 18 18 CYS CB C 18 32.524 30.087 2.437 1
1 123 . 15 1 1 A 18 18 CYS C C 18 176.135 175.500 0.635 1
1 124 . 15 1 1 A 19 19 GLY N N 19 112.484 109.784 2.700 1
1 125 . 15 1 1 A 19 19 GLY H H 19 8.139 8.271 -0.132 1
1 126 . 15 1 1 A 19 19 GLY CA C 19 46.297 45.557 0.740 1
1 127 . 15 1 1 A 19 19 GLY HA2 H 19 4.269 4.075 0.194 1
1 128 . 15 1 1 A 19 19 GLY HA3 H 19 3.800 4.085 -0.285 1
1 129 . 15 1 1 A 19 19 GLY C C 19 174.065 174.187 -0.122 1
1 130 . 15 1 1 A 20 20 LYS N N 20 123.711 119.758 3.953 1
1 131 . 15 1 1 A 20 20 LYS H H 20 8.048 7.931 0.117 1
1 132 . 15 1 1 A 20 20 LYS CA C 20 58.446 54.647 3.799 1
1 133 . 15 1 1 A 20 20 LYS HA H 20 4.045 4.660 -0.615 1
1 134 . 15 1 1 A 20 20 LYS CB C 20 33.391 34.942 -1.551 1
1 146 . 15 1 1 A 20 20 LYS C C 20 174.750 175.121 -0.371 1
1 147 . 15 1 1 A 21 21 SER N N 21 114.286 118.316 -4.030 1
1 148 . 15 1 1 A 21 21 SER H H 21 7.863 8.800 -0.937 1
1 149 . 15 1 1 A 21 21 SER CA C 21 56.933 56.142 0.791 1
1 150 . 15 1 1 A 21 21 SER HA H 21 5.398 5.567 -0.169 1
1 151 . 15 1 1 A 21 21 SER CB C 21 66.461 66.047 0.414 1
1 154 . 15 1 1 A 21 21 SER C C 21 172.635 173.479 -0.844 1
1 155 . 15 1 1 A 22 22 TYR N N 22 117.528 118.139 -0.611 1
1 156 . 15 1 1 A 22 22 TYR H H 22 8.774 8.630 0.144 1
1 157 . 15 1 1 A 22 22 TYR CA C 22 58.061 56.513 1.548 1
1 158 . 15 1 1 A 22 22 TYR HA H 22 4.750 4.959 -0.209 1
1 159 . 15 1 1 A 22 22 TYR CB C 22 44.125 42.434 1.691 1
1 170 . 15 1 1 A 22 22 TYR C C 22 174.955 175.921 -0.966 1
1 171 . 15 1 1 A 23 23 ASN N N 23 118.657 121.019 -2.362 1
1 172 . 15 1 1 A 23 23 ASN H H 23 9.444 8.864 0.580 1
1 173 . 15 1 1 A 23 23 ASN CA C 23 54.765 56.407 -1.642 1
1 174 . 15 1 1 A 23 23 ASN HA H 23 5.029 4.523 0.506 1
1 175 . 15 1 1 A 23 23 ASN CB C 23 40.282 38.412 1.870 1
1 181 . 15 1 1 A 23 23 ASN C C 23 175.004 175.293 -0.289 1
1 182 . 15 1 1 A 24 24 GLN N N 24 114.619 116.296 -1.677 1
1 183 . 15 1 1 A 24 24 GLN H H 24 7.579 8.136 -0.557 1
1 184 . 15 1 1 A 24 24 GLN CA C 24 54.151 54.579 -0.428 1
1 185 . 15 1 1 A 24 24 GLN HA H 24 4.692 5.013 -0.321 1
1 186 . 15 1 1 A 24 24 GLN CB C 24 31.829 31.539 0.290 1
1 195 . 15 1 1 A 24 24 GLN C C 24 175.731 176.603 -0.872 1
1 196 . 15 1 1 A 25 25 ARG N N 25 127.274 120.854 6.420 1
1 197 . 15 1 1 A 25 25 ARG H H 25 8.350 8.713 -0.363 1
1 198 . 15 1 1 A 25 25 ARG CA C 25 59.687 58.370 1.317 1
1 199 . 15 1 1 A 25 25 ARG HA H 25 2.879 3.172 -0.293 1
1 200 . 15 1 1 A 25 25 ARG CB C 25 29.082 29.358 -0.276 1
1 209 . 15 1 1 A 25 25 ARG C C 25 178.363 178.142 0.221 1
1 210 . 15 1 1 A 26 26 VAL N N 26 115.093 119.354 -4.261 1
1 211 . 15 1 1 A 26 26 VAL H H 26 8.274 8.063 0.211 1
1 212 . 15 1 1 A 26 26 VAL CA C 26 64.611 64.586 0.025 1
1 213 . 15 1 1 A 26 26 VAL HA H 26 3.908 3.721 0.187 1
1 214 . 15 1 1 A 26 26 VAL CB C 26 31.070 31.383 -0.313 1
1 224 . 15 1 1 A 26 26 VAL C C 26 176.893 176.926 -0.033 1
1 225 . 15 1 1 A 27 27 HIS N N 27 119.161 118.636 0.525 1
1 226 . 15 1 1 A 27 27 HIS H H 27 6.525 7.830 -1.305 1
1 227 . 15 1 1 A 27 27 HIS CA C 27 57.177 59.845 -2.668 1
1 228 . 15 1 1 A 27 27 HIS HA H 27 4.387 4.278 0.109 1
1 229 . 15 1 1 A 27 27 HIS CB C 27 31.423 30.356 1.067 1
1 236 . 15 1 1 A 27 27 HIS C C 27 178.508 177.442 1.066 1
1 237 . 15 1 1 A 28 28 LEU N N 28 121.662 121.106 0.556 1
1 238 . 15 1 1 A 28 28 LEU H H 28 7.064 7.876 -0.812 1
1 239 . 15 1 1 A 28 28 LEU CA C 28 58.041 57.839 0.202 1
1 240 . 15 1 1 A 28 28 LEU HA H 28 3.807 3.649 0.158 1
1 241 . 15 1 1 A 28 28 LEU CB C 28 40.232 41.751 -1.519 1
1 254 . 15 1 1 A 28 28 LEU C C 28 177.776 178.313 -0.537 1
1 255 . 15 1 1 A 29 29 THR N N 29 116.331 114.010 2.321 1
1 256 . 15 1 1 A 29 29 THR H H 29 8.606 8.180 0.426 1
1 257 . 15 1 1 A 29 29 THR CA C 29 66.300 65.831 0.469 1
1 258 . 15 1 1 A 29 29 THR HA H 29 4.009 3.997 0.012 1
1 259 . 15 1 1 A 29 29 THR CB C 29 68.317 68.786 -0.469 1
1 265 . 15 1 1 A 29 29 THR C C 29 177.336 176.754 0.582 1
1 266 . 15 1 1 A 30 30 GLN N N 30 119.465 119.128 0.337 1
1 267 . 15 1 1 A 30 30 GLN H H 30 7.838 7.428 0.410 1
1 268 . 15 1 1 A 30 30 GLN CA C 30 58.851 58.867 -0.016 1
1 269 . 15 1 1 A 30 30 GLN HA H 30 3.969 3.856 0.113 1
1 270 . 15 1 1 A 30 30 GLN CB C 30 28.349 28.146 0.203 1
1 279 . 15 1 1 A 30 30 GLN C C 30 178.722 178.369 0.353 1
1 280 . 15 1 1 A 31 31 HIS N N 31 119.993 120.439 -0.446 1
1 281 . 15 1 1 A 31 31 HIS H H 31 7.664 7.621 0.043 1
1 282 . 15 1 1 A 31 31 HIS CA C 31 59.107 59.761 -0.654 1
1 283 . 15 1 1 A 31 31 HIS HA H 31 4.287 4.155 0.132 1
1 284 . 15 1 1 A 31 31 HIS CB C 31 28.026 29.396 -1.370 1
1 291 . 15 1 1 A 31 31 HIS C C 31 176.251 177.110 -0.859 1
1 292 . 15 1 1 A 32 32 GLN N N 32 115.117 117.758 -2.641 1
1 293 . 15 1 1 A 32 32 GLN H H 32 8.424 8.235 0.189 1
1 294 . 15 1 1 A 32 32 GLN CA C 32 59.472 58.860 0.612 1
1 295 . 15 1 1 A 32 32 GLN HA H 32 3.613 3.640 -0.027 1
1 296 . 15 1 1 A 32 32 GLN CB C 32 28.286 28.200 0.086 1
1 305 . 15 1 1 A 32 32 GLN C C 32 177.186 178.526 -1.340 1
1 306 . 15 1 1 A 33 33 ARG N N 33 117.852 120.390 -2.538 1
1 307 . 15 1 1 A 33 33 ARG H H 33 7.105 7.539 -0.434 1
1 308 . 15 1 1 A 33 33 ARG CA C 33 58.492 58.763 -0.271 1
1 309 . 15 1 1 A 33 33 ARG HA H 33 4.149 4.229 -0.080 1
1 310 . 15 1 1 A 33 33 ARG CB C 33 30.080 29.842 0.238 1
1 319 . 15 1 1 A 33 33 ARG C C 33 178.535 178.558 -0.023 1
1 320 . 15 1 1 A 34 34 VAL N N 34 115.844 116.937 -1.093 1
1 321 . 15 1 1 A 34 34 VAL H H 34 7.971 7.684 0.287 1
1 322 . 15 1 1 A 34 34 VAL CA C 34 63.982 65.468 -1.486 1
1 323 . 15 1 1 A 34 34 VAL HA H 34 3.936 3.686 0.250 1
1 324 . 15 1 1 A 34 34 VAL CB C 34 31.159 30.981 0.178 1
1 334 . 15 1 1 A 34 34 VAL C C 34 177.254 178.066 -0.812 1
1 335 . 15 1 1 A 35 35 HIS N N 35 117.345 120.152 -2.807 1
1 336 . 15 1 1 A 35 35 HIS H H 35 7.225 7.360 -0.135 1
1 337 . 15 1 1 A 35 35 HIS CA C 35 55.058 58.879 -3.821 1
1 338 . 15 1 1 A 35 35 HIS HA H 35 4.895 4.391 0.504 1
1 339 . 15 1 1 A 35 35 HIS CB C 35 28.620 30.713 -2.093 1
1 346 . 15 1 1 A 35 35 HIS C C 35 175.716 175.869 -0.153 1
1 347 . 15 1 1 A 36 36 THR N N 36 111.842 106.602 5.240 1
1 348 . 15 1 1 A 36 36 THR H H 36 7.775 7.344 0.431 1
1 349 . 15 1 1 A 36 36 THR CA C 36 62.514 60.980 1.534 1
1 350 . 15 1 1 A 36 36 THR HA H 36 4.374 4.429 -0.055 1
1 351 . 15 1 1 A 36 36 THR CB C 36 69.853 69.376 0.477 1
1 357 . 15 1 1 A 36 36 THR C C 36 175.509 174.653 0.856 1
1 358 . 15 1 1 A 37 37 GLY N N 37 110.650 113.671 -3.021 1
1 359 . 15 1 1 A 37 37 GLY H H 37 8.235 8.573 -0.338 1
1 360 . 15 1 1 A 37 37 GLY CA C 37 45.420 45.294 0.126 1
1 361 . 15 1 1 A 37 37 GLY HA2 H 37 3.960 4.018 -0.058 1
1 362 . 15 1 1 A 37 37 GLY HA3 H 37 4.040 4.027 0.013 1
1 363 . 15 1 1 A 37 37 GLY C C 37 173.979 174.526 -0.547 1
1 364 . 15 1 1 A 38 38 GLU N N 38 120.601 121.637 -1.036 1
1 365 . 15 1 1 A 38 38 GLU H H 38 8.101 8.189 -0.088 1
1 366 . 15 1 1 A 38 38 GLU CA C 38 56.476 56.066 0.410 1
1 367 . 15 1 1 A 38 38 GLU HA H 38 4.255 4.385 -0.130 1
1 368 . 15 1 1 A 38 38 GLU CB C 38 30.561 31.047 -0.486 1
1 374 . 15 1 1 A 38 38 GLU C C 38 176.212 176.020 0.192 1
1 375 . 15 1 1 A 39 39 LYS N N 39 123.814 126.589 -2.775 1
1 376 . 15 1 1 A 39 39 LYS H H 39 8.413 8.204 0.209 1
1 377 . 15 1 1 A 39 39 LYS CA C 39 54.245 54.535 -0.290 1
1 378 . 15 1 1 A 39 39 LYS HA H 39 4.618 4.369 0.249 1
1 379 . 15 1 1 A 39 39 LYS CB C 39 32.519 33.153 -0.634 1
1 391 . 15 1 1 A 39 39 LYS C C 39 174.467 175.352 -0.885 1
1 392 . 15 1 1 A 40 40 PRO CA C 40 63.219 62.730 0.489 1
1 393 . 15 1 1 A 40 40 PRO HA H 40 4.467 4.608 -0.141 1
1 394 . 15 1 1 A 40 40 PRO CB C 40 32.203 31.729 0.474 1
1 403 . 15 1 1 A 40 40 PRO C C 40 173.930 176.119 -2.189 1
1 404 . 15 1 1 A 41 41 SER N N 41 116.519 119.738 -3.219 1
1 405 . 15 1 1 A 41 41 SER H H 41 8.488 8.734 -0.246 1
1 406 . 15 1 1 A 41 41 SER C C 41 178.949 173.918 5.031 1
1 407 . 15 1 1 A 42 42 GLY CA C 42 44.689 44.378 0.311 1
1 408 . 15 1 1 A 42 42 GLY HA2 H 42 4.119 4.150 -0.031 1
1 409 . 15 1 1 A 42 42 GLY HA3 H 42 4.173 4.151 0.022 1
1 410 . 15 1 1 A 43 43 PRO CA C 43 63.267 62.617 0.650 1
1 411 . 15 1 1 A 43 43 PRO HA H 43 4.485 4.754 -0.269 1
1 412 . 15 1 1 A 43 43 PRO CB C 43 32.227 31.424 0.803 1
1 421 . 15 1 1 A 45 45 SER CA C 45 58.370 57.325 1.045 1
1 422 . 15 1 1 A 45 45 SER HA H 45 4.495 5.040 -0.545 1
1 423 . 15 1 1 A 45 45 SER CB C 45 64.018 65.169 -1.151 1
1 425 . 15 1 1 A 45 45 SER C C 45 173.890 174.116 -0.226 1
1 1 . 16 1 1 A 8 8 THR CA C 8 61.919 63.258 -1.339 1
1 2 . 16 1 1 A 8 8 THR HA H 8 4.367 4.157 0.210 1
1 3 . 16 1 1 A 8 8 THR CB C 8 69.796 69.056 0.740 1
1 9 . 16 1 1 A 8 8 THR C C 8 175.193 175.517 -0.324 1
1 10 . 16 1 1 A 9 9 GLY N N 9 111.079 115.594 -4.515 1
1 11 . 16 1 1 A 9 9 GLY H H 9 8.450 8.780 -0.330 1
1 12 . 16 1 1 A 9 9 GLY CA C 9 45.243 45.727 -0.484 1
1 13 . 16 1 1 A 9 9 GLY HA2 H 9 3.956 4.093 -0.137 1
1 14 . 16 1 1 A 9 9 GLY HA3 H 9 3.956 4.095 -0.139 1
1 15 . 16 1 1 A 9 9 GLY C C 9 173.979 174.335 -0.356 1
1 16 . 16 1 1 A 10 10 GLU N N 10 120.501 119.716 0.785 1
1 17 . 16 1 1 A 10 10 GLU H H 10 8.192 8.116 0.076 1
1 18 . 16 1 1 A 10 10 GLU CA C 10 56.560 55.416 1.144 1
1 19 . 16 1 1 A 10 10 GLU HA H 10 4.198 4.458 -0.260 1
1 20 . 16 1 1 A 10 10 GLU CB C 10 30.474 30.397 0.077 1
1 26 . 16 1 1 A 10 10 GLU C C 10 176.188 175.644 0.544 1
1 27 . 16 1 1 A 11 11 LYS N N 11 122.926 125.398 -2.472 1
1 28 . 16 1 1 A 11 11 LYS H H 11 8.346 8.848 -0.502 1
1 29 . 16 1 1 A 11 11 LYS CA C 11 54.399 53.839 0.560 1
1 30 . 16 1 1 A 11 11 LYS HA H 11 4.447 4.485 -0.038 1
1 31 . 16 1 1 A 11 11 LYS CB C 11 32.473 31.944 0.529 1
1 43 . 16 1 1 A 11 11 LYS C C 11 174.709 176.249 -1.540 1
1 44 . 16 1 1 A 12 12 PRO CA C 12 64.071 64.248 -0.177 1
1 45 . 16 1 1 A 12 12 PRO HA H 12 4.194 4.296 -0.102 1
1 46 . 16 1 1 A 12 12 PRO CB C 12 32.233 31.498 0.735 1
1 55 . 16 1 1 A 12 12 PRO C C 12 176.563 175.860 0.703 1
1 56 . 16 1 1 A 13 13 PHE N N 13 117.437 118.380 -0.943 1
1 57 . 16 1 1 A 13 13 PHE H H 13 7.906 7.357 0.549 1
1 58 . 16 1 1 A 13 13 PHE CA C 13 57.216 57.002 0.214 1
1 59 . 16 1 1 A 13 13 PHE HA H 13 4.733 5.221 -0.488 1
1 60 . 16 1 1 A 13 13 PHE CB C 13 38.760 42.045 -3.285 1
1 73 . 16 1 1 A 13 13 PHE C C 13 174.019 174.428 -0.409 1
1 74 . 16 1 1 A 14 14 LYS N N 14 125.906 121.903 4.003 1
1 75 . 16 1 1 A 14 14 LYS H H 14 8.558 8.705 -0.147 1
1 76 . 16 1 1 A 14 14 LYS CA C 14 55.253 55.772 -0.519 1
1 77 . 16 1 1 A 14 14 LYS HA H 14 4.753 4.762 -0.009 1
1 78 . 16 1 1 A 14 14 LYS CB C 14 35.471 36.284 -0.813 1
1 90 . 16 1 1 A 14 14 LYS C C 14 175.156 174.736 0.420 1
1 91 . 16 1 1 A 15 15 CYS N N 15 128.017 124.309 3.708 1
1 92 . 16 1 1 A 15 15 CYS H H 15 9.322 9.359 -0.037 1
1 93 . 16 1 1 A 15 15 CYS CA C 15 59.976 59.065 0.911 1
1 94 . 16 1 1 A 15 15 CYS HA H 15 4.451 4.717 -0.266 1
1 95 . 16 1 1 A 15 15 CYS CB C 15 29.411 28.176 1.235 1
1 98 . 16 1 1 A 15 15 CYS C C 15 177.343 176.565 0.778 1
1 99 . 16 1 1 A 16 16 GLY N N 16 120.643 115.115 5.528 1
1 100 . 16 1 1 A 16 16 GLY H H 16 9.425 8.854 0.571 1
1 101 . 16 1 1 A 16 16 GLY CA C 16 46.692 46.679 0.013 1
1 102 . 16 1 1 A 16 16 GLY HA2 H 16 3.969 3.917 0.052 1
1 103 . 16 1 1 A 16 16 GLY HA3 H 16 4.034 3.919 0.115 1
1 104 . 16 1 1 A 16 16 GLY C C 16 174.008 174.137 -0.129 1
1 105 . 16 1 1 A 17 17 GLU N N 17 121.284 117.562 3.722 1
1 106 . 16 1 1 A 17 17 GLU H H 17 8.683 7.559 1.124 1
1 107 . 16 1 1 A 17 17 GLU CA C 17 57.922 56.802 1.120 1
1 108 . 16 1 1 A 17 17 GLU HA H 17 4.295 4.478 -0.183 1
1 109 . 16 1 1 A 17 17 GLU CB C 17 29.778 32.410 -2.632 1
1 115 . 16 1 1 A 17 17 GLU C C 17 177.066 177.690 -0.624 1
1 116 . 16 1 1 A 18 18 CYS N N 18 115.033 114.562 0.471 1
1 117 . 16 1 1 A 18 18 CYS H H 18 7.942 7.610 0.332 1
1 118 . 16 1 1 A 18 18 CYS CA C 18 58.453 59.385 -0.932 1
1 119 . 16 1 1 A 18 18 CYS HA H 18 5.187 4.676 0.511 1
1 120 . 16 1 1 A 18 18 CYS CB C 18 32.524 30.298 2.226 1
1 123 . 16 1 1 A 18 18 CYS C C 18 176.135 175.551 0.584 1
1 124 . 16 1 1 A 19 19 GLY N N 19 112.484 109.751 2.733 1
1 125 . 16 1 1 A 19 19 GLY H H 19 8.139 8.370 -0.231 1
1 126 . 16 1 1 A 19 19 GLY CA C 19 46.297 45.668 0.629 1
1 127 . 16 1 1 A 19 19 GLY HA2 H 19 4.269 4.076 0.193 1
1 128 . 16 1 1 A 19 19 GLY HA3 H 19 3.800 4.090 -0.290 1
1 129 . 16 1 1 A 19 19 GLY C C 19 174.065 174.335 -0.270 1
1 130 . 16 1 1 A 20 20 LYS N N 20 123.711 119.921 3.790 1
1 131 . 16 1 1 A 20 20 LYS H H 20 8.048 7.946 0.102 1
1 132 . 16 1 1 A 20 20 LYS CA C 20 58.446 54.939 3.507 1
1 133 . 16 1 1 A 20 20 LYS HA H 20 4.045 4.553 -0.508 1
1 134 . 16 1 1 A 20 20 LYS CB C 20 33.391 34.798 -1.407 1
1 146 . 16 1 1 A 20 20 LYS C C 20 174.750 175.679 -0.929 1
1 147 . 16 1 1 A 21 21 SER N N 21 114.286 119.436 -5.150 1
1 148 . 16 1 1 A 21 21 SER H H 21 7.863 8.792 -0.929 1
1 149 . 16 1 1 A 21 21 SER CA C 21 56.933 56.523 0.410 1
1 150 . 16 1 1 A 21 21 SER HA H 21 5.398 5.408 -0.010 1
1 151 . 16 1 1 A 21 21 SER CB C 21 66.461 65.539 0.922 1
1 154 . 16 1 1 A 21 21 SER C C 21 172.635 173.407 -0.772 1
1 155 . 16 1 1 A 22 22 TYR N N 22 117.528 118.626 -1.098 1
1 156 . 16 1 1 A 22 22 TYR H H 22 8.774 8.273 0.501 1
1 157 . 16 1 1 A 22 22 TYR CA C 22 58.061 56.537 1.524 1
1 158 . 16 1 1 A 22 22 TYR HA H 22 4.750 4.988 -0.238 1
1 159 . 16 1 1 A 22 22 TYR CB C 22 44.125 41.638 2.487 1
1 170 . 16 1 1 A 22 22 TYR C C 22 174.955 175.964 -1.009 1
1 171 . 16 1 1 A 23 23 ASN N N 23 118.657 124.539 -5.882 1
1 172 . 16 1 1 A 23 23 ASN H H 23 9.444 9.221 0.223 1
1 173 . 16 1 1 A 23 23 ASN CA C 23 54.765 56.699 -1.934 1
1 174 . 16 1 1 A 23 23 ASN HA H 23 5.029 4.526 0.503 1
1 175 . 16 1 1 A 23 23 ASN CB C 23 40.282 38.466 1.816 1
1 181 . 16 1 1 A 23 23 ASN C C 23 175.004 175.219 -0.215 1
1 182 . 16 1 1 A 24 24 GLN N N 24 114.619 117.452 -2.833 1
1 183 . 16 1 1 A 24 24 GLN H H 24 7.579 8.176 -0.597 1
1 184 . 16 1 1 A 24 24 GLN CA C 24 54.151 54.611 -0.460 1
1 185 . 16 1 1 A 24 24 GLN HA H 24 4.692 4.948 -0.256 1
1 186 . 16 1 1 A 24 24 GLN CB C 24 31.829 30.602 1.227 1
1 195 . 16 1 1 A 24 24 GLN C C 24 175.731 176.397 -0.666 1
1 196 . 16 1 1 A 25 25 ARG N N 25 127.274 121.606 5.668 1
1 197 . 16 1 1 A 25 25 ARG H H 25 8.350 8.716 -0.366 1
1 198 . 16 1 1 A 25 25 ARG CA C 25 59.687 58.404 1.283 1
1 199 . 16 1 1 A 25 25 ARG HA H 25 2.879 3.328 -0.449 1
1 200 . 16 1 1 A 25 25 ARG CB C 25 29.082 29.158 -0.076 1
1 209 . 16 1 1 A 25 25 ARG C C 25 178.363 178.091 0.272 1
1 210 . 16 1 1 A 26 26 VAL N N 26 115.093 118.810 -3.717 1
1 211 . 16 1 1 A 26 26 VAL H H 26 8.274 7.841 0.433 1
1 212 . 16 1 1 A 26 26 VAL CA C 26 64.611 64.249 0.362 1
1 213 . 16 1 1 A 26 26 VAL HA H 26 3.908 3.729 0.179 1
1 214 . 16 1 1 A 26 26 VAL CB C 26 31.070 31.367 -0.297 1
1 224 . 16 1 1 A 26 26 VAL C C 26 176.893 176.757 0.136 1
1 225 . 16 1 1 A 27 27 HIS N N 27 119.161 118.357 0.804 1
1 226 . 16 1 1 A 27 27 HIS H H 27 6.525 7.475 -0.950 1
1 227 . 16 1 1 A 27 27 HIS CA C 27 57.177 59.038 -1.861 1
1 228 . 16 1 1 A 27 27 HIS HA H 27 4.387 4.343 0.044 1
1 229 . 16 1 1 A 27 27 HIS CB C 27 31.423 30.777 0.646 1
1 236 . 16 1 1 A 27 27 HIS C C 27 178.508 177.219 1.289 1
1 237 . 16 1 1 A 28 28 LEU N N 28 121.662 121.403 0.259 1
1 238 . 16 1 1 A 28 28 LEU H H 28 7.064 7.915 -0.851 1
1 239 . 16 1 1 A 28 28 LEU CA C 28 58.041 57.732 0.309 1
1 240 . 16 1 1 A 28 28 LEU HA H 28 3.807 3.635 0.172 1
1 241 . 16 1 1 A 28 28 LEU CB C 28 40.232 41.770 -1.538 1
1 254 . 16 1 1 A 28 28 LEU C C 28 177.776 178.120 -0.344 1
1 255 . 16 1 1 A 29 29 THR N N 29 116.331 114.016 2.315 1
1 256 . 16 1 1 A 29 29 THR H H 29 8.606 8.044 0.562 1
1 257 . 16 1 1 A 29 29 THR CA C 29 66.300 65.214 1.086 1
1 258 . 16 1 1 A 29 29 THR HA H 29 4.009 3.776 0.233 1
1 259 . 16 1 1 A 29 29 THR CB C 29 68.317 68.934 -0.617 1
1 265 . 16 1 1 A 29 29 THR C C 29 177.336 176.990 0.346 1
1 266 . 16 1 1 A 30 30 GLN N N 30 119.465 120.399 -0.934 1
1 267 . 16 1 1 A 30 30 GLN H H 30 7.838 7.828 0.010 1
1 268 . 16 1 1 A 30 30 GLN CA C 30 58.851 58.741 0.110 1
1 269 . 16 1 1 A 30 30 GLN HA H 30 3.969 4.028 -0.059 1
1 270 . 16 1 1 A 30 30 GLN CB C 30 28.349 28.297 0.052 1
1 279 . 16 1 1 A 30 30 GLN C C 30 178.722 178.142 0.580 1
1 280 . 16 1 1 A 31 31 HIS N N 31 119.993 120.842 -0.849 1
1 281 . 16 1 1 A 31 31 HIS H H 31 7.664 7.769 -0.105 1
1 282 . 16 1 1 A 31 31 HIS CA C 31 59.107 60.046 -0.939 1
1 283 . 16 1 1 A 31 31 HIS HA H 31 4.287 4.111 0.176 1
1 284 . 16 1 1 A 31 31 HIS CB C 31 28.026 29.422 -1.396 1
1 291 . 16 1 1 A 31 31 HIS C C 31 176.251 177.355 -1.104 1
1 292 . 16 1 1 A 32 32 GLN N N 32 115.117 118.094 -2.977 1
1 293 . 16 1 1 A 32 32 GLN H H 32 8.424 8.021 0.403 1
1 294 . 16 1 1 A 32 32 GLN CA C 32 59.472 58.729 0.743 1
1 295 . 16 1 1 A 32 32 GLN HA H 32 3.613 3.642 -0.029 1
1 296 . 16 1 1 A 32 32 GLN CB C 32 28.286 28.431 -0.145 1
1 305 . 16 1 1 A 32 32 GLN C C 32 177.186 178.481 -1.295 1
1 306 . 16 1 1 A 33 33 ARG N N 33 117.852 119.519 -1.667 1
1 307 . 16 1 1 A 33 33 ARG H H 33 7.105 7.649 -0.544 1
1 308 . 16 1 1 A 33 33 ARG CA C 33 58.492 58.792 -0.300 1
1 309 . 16 1 1 A 33 33 ARG HA H 33 4.149 3.996 0.153 1
1 310 . 16 1 1 A 33 33 ARG CB C 33 30.080 29.764 0.316 1
1 319 . 16 1 1 A 33 33 ARG C C 33 178.535 178.662 -0.127 1
1 320 . 16 1 1 A 34 34 VAL N N 34 115.844 116.258 -0.414 1
1 321 . 16 1 1 A 34 34 VAL H H 34 7.971 7.501 0.470 1
1 322 . 16 1 1 A 34 34 VAL CA C 34 63.982 64.797 -0.815 1
1 323 . 16 1 1 A 34 34 VAL HA H 34 3.936 3.897 0.039 1
1 324 . 16 1 1 A 34 34 VAL CB C 34 31.159 31.064 0.095 1
1 334 . 16 1 1 A 34 34 VAL C C 34 177.254 176.283 0.971 1
1 335 . 16 1 1 A 35 35 HIS N N 35 117.345 119.284 -1.939 1
1 336 . 16 1 1 A 35 35 HIS H H 35 7.225 7.687 -0.462 1
1 337 . 16 1 1 A 35 35 HIS CA C 35 55.058 55.627 -0.569 1
1 338 . 16 1 1 A 35 35 HIS HA H 35 4.895 4.745 0.150 1
1 339 . 16 1 1 A 35 35 HIS CB C 35 28.620 29.479 -0.859 1
1 346 . 16 1 1 A 35 35 HIS C C 35 175.716 174.554 1.162 1
1 347 . 16 1 1 A 36 36 THR N N 36 111.842 113.765 -1.923 1
1 348 . 16 1 1 A 36 36 THR H H 36 7.775 7.360 0.415 1
1 349 . 16 1 1 A 36 36 THR CA C 36 62.514 60.712 1.802 1
1 350 . 16 1 1 A 36 36 THR HA H 36 4.374 4.443 -0.069 1
1 351 . 16 1 1 A 36 36 THR CB C 36 69.853 71.386 -1.533 1
1 357 . 16 1 1 A 36 36 THR C C 36 175.509 173.675 1.834 1
1 358 . 16 1 1 A 37 37 GLY N N 37 110.650 114.894 -4.244 1
1 359 . 16 1 1 A 37 37 GLY H H 37 8.235 8.647 -0.412 1
1 360 . 16 1 1 A 37 37 GLY CA C 37 45.420 45.823 -0.403 1
1 361 . 16 1 1 A 37 37 GLY HA2 H 37 3.960 3.912 0.048 1
1 362 . 16 1 1 A 37 37 GLY HA3 H 37 4.040 3.917 0.123 1
1 363 . 16 1 1 A 37 37 GLY C C 37 173.979 173.322 0.657 1
1 364 . 16 1 1 A 38 38 GLU N N 38 120.601 117.969 2.632 1
1 365 . 16 1 1 A 38 38 GLU H H 38 8.101 7.701 0.400 1
1 366 . 16 1 1 A 38 38 GLU CA C 38 56.476 55.298 1.178 1
1 367 . 16 1 1 A 38 38 GLU HA H 38 4.255 4.616 -0.361 1
1 368 . 16 1 1 A 38 38 GLU CB C 38 30.561 33.063 -2.502 1
1 374 . 16 1 1 A 38 38 GLU C C 38 176.212 174.292 1.920 1
1 375 . 16 1 1 A 39 39 LYS N N 39 123.814 123.517 0.297 1
1 376 . 16 1 1 A 39 39 LYS H H 39 8.413 8.557 -0.144 1
1 377 . 16 1 1 A 39 39 LYS CA C 39 54.245 54.695 -0.450 1
1 378 . 16 1 1 A 39 39 LYS HA H 39 4.618 4.323 0.295 1
1 379 . 16 1 1 A 39 39 LYS CB C 39 32.519 33.202 -0.683 1
1 391 . 16 1 1 A 39 39 LYS C C 39 174.467 175.508 -1.041 1
1 392 . 16 1 1 A 40 40 PRO CA C 40 63.219 62.367 0.852 1
1 393 . 16 1 1 A 40 40 PRO HA H 40 4.467 4.554 -0.087 1
1 394 . 16 1 1 A 40 40 PRO CB C 40 32.203 29.507 2.696 1
1 403 . 16 1 1 A 40 40 PRO C C 40 173.930 177.353 -3.423 1
1 404 . 16 1 1 A 41 41 SER N N 41 116.519 118.614 -2.095 1
1 405 . 16 1 1 A 41 41 SER H H 41 8.488 8.217 0.271 1
1 406 . 16 1 1 A 41 41 SER C C 41 178.949 174.368 4.581 1
1 407 . 16 1 1 A 42 42 GLY CA C 42 44.689 45.339 -0.650 1
1 408 . 16 1 1 A 42 42 GLY HA2 H 42 4.119 3.916 0.203 1
1 409 . 16 1 1 A 42 42 GLY HA3 H 42 4.173 3.917 0.256 1
1 410 . 16 1 1 A 43 43 PRO CA C 43 63.267 62.827 0.440 1
1 411 . 16 1 1 A 43 43 PRO HA H 43 4.485 4.671 -0.186 1
1 412 . 16 1 1 A 43 43 PRO CB C 43 32.227 32.711 -0.484 1
1 421 . 16 1 1 A 45 45 SER CA C 45 58.370 60.010 -1.640 1
1 422 . 16 1 1 A 45 45 SER HA H 45 4.495 4.317 0.178 1
1 423 . 16 1 1 A 45 45 SER CB C 45 64.018 62.592 1.426 1
1 425 . 16 1 1 A 45 45 SER C C 45 173.890 174.991 -1.101 1
1 1 . 17 1 1 A 8 8 THR CA C 8 61.919 60.099 1.820 1
1 2 . 17 1 1 A 8 8 THR HA H 8 4.367 4.741 -0.374 1
1 3 . 17 1 1 A 8 8 THR CB C 8 69.796 68.374 1.422 1
1 9 . 17 1 1 A 8 8 THR C C 8 175.193 175.051 0.142 1
1 10 . 17 1 1 A 9 9 GLY N N 9 111.079 110.940 0.139 1
1 11 . 17 1 1 A 9 9 GLY H H 9 8.450 8.139 0.311 1
1 12 . 17 1 1 A 9 9 GLY CA C 9 45.243 45.730 -0.487 1
1 13 . 17 1 1 A 9 9 GLY HA2 H 9 3.956 3.979 -0.023 1
1 14 . 17 1 1 A 9 9 GLY HA3 H 9 3.956 3.980 -0.024 1
1 15 . 17 1 1 A 9 9 GLY C C 9 173.979 173.932 0.047 1
1 16 . 17 1 1 A 10 10 GLU N N 10 120.501 122.553 -2.052 1
1 17 . 17 1 1 A 10 10 GLU H H 10 8.192 8.272 -0.080 1
1 18 . 17 1 1 A 10 10 GLU CA C 10 56.560 57.180 -0.620 1
1 19 . 17 1 1 A 10 10 GLU HA H 10 4.198 4.211 -0.013 1
1 20 . 17 1 1 A 10 10 GLU CB C 10 30.474 30.232 0.242 1
1 26 . 17 1 1 A 10 10 GLU C C 10 176.188 176.067 0.121 1
1 27 . 17 1 1 A 11 11 LYS N N 11 122.926 127.581 -4.655 1
1 28 . 17 1 1 A 11 11 LYS H H 11 8.346 8.831 -0.485 1
1 29 . 17 1 1 A 11 11 LYS CA C 11 54.399 53.130 1.269 1
1 30 . 17 1 1 A 11 11 LYS HA H 11 4.447 4.620 -0.173 1
1 31 . 17 1 1 A 11 11 LYS CB C 11 32.473 32.333 0.140 1
1 43 . 17 1 1 A 11 11 LYS C C 11 174.709 176.229 -1.520 1
1 44 . 17 1 1 A 12 12 PRO CA C 12 64.071 64.450 -0.379 1
1 45 . 17 1 1 A 12 12 PRO HA H 12 4.194 4.302 -0.108 1
1 46 . 17 1 1 A 12 12 PRO CB C 12 32.233 31.707 0.526 1
1 55 . 17 1 1 A 12 12 PRO C C 12 176.563 176.062 0.501 1
1 56 . 17 1 1 A 13 13 PHE N N 13 117.437 118.361 -0.924 1
1 57 . 17 1 1 A 13 13 PHE H H 13 7.906 7.261 0.645 1
1 58 . 17 1 1 A 13 13 PHE CA C 13 57.216 57.544 -0.328 1
1 59 . 17 1 1 A 13 13 PHE HA H 13 4.733 4.969 -0.236 1
1 60 . 17 1 1 A 13 13 PHE CB C 13 38.760 41.360 -2.600 1
1 73 . 17 1 1 A 13 13 PHE C C 13 174.019 175.043 -1.024 1
1 74 . 17 1 1 A 14 14 LYS N N 14 125.906 121.137 4.769 1
1 75 . 17 1 1 A 14 14 LYS H H 14 8.558 8.738 -0.180 1
1 76 . 17 1 1 A 14 14 LYS CA C 14 55.253 55.804 -0.551 1
1 77 . 17 1 1 A 14 14 LYS HA H 14 4.753 4.783 -0.030 1
1 78 . 17 1 1 A 14 14 LYS CB C 14 35.471 36.127 -0.656 1
1 90 . 17 1 1 A 14 14 LYS C C 14 175.156 174.521 0.635 1
1 91 . 17 1 1 A 15 15 CYS N N 15 128.017 125.319 2.698 1
1 92 . 17 1 1 A 15 15 CYS H H 15 9.322 9.148 0.174 1
1 93 . 17 1 1 A 15 15 CYS CA C 15 59.976 58.616 1.360 1
1 94 . 17 1 1 A 15 15 CYS HA H 15 4.451 4.713 -0.262 1
1 95 . 17 1 1 A 15 15 CYS CB C 15 29.411 27.724 1.687 1
1 98 . 17 1 1 A 15 15 CYS C C 15 177.343 175.908 1.435 1
1 99 . 17 1 1 A 16 16 GLY N N 16 120.643 114.383 6.260 1
1 100 . 17 1 1 A 16 16 GLY H H 16 9.425 8.698 0.727 1
1 101 . 17 1 1 A 16 16 GLY CA C 16 46.692 46.935 -0.243 1
1 102 . 17 1 1 A 16 16 GLY HA2 H 16 3.969 3.884 0.085 1
1 103 . 17 1 1 A 16 16 GLY HA3 H 16 4.034 3.887 0.147 1
1 104 . 17 1 1 A 16 16 GLY C C 16 174.008 175.735 -1.727 1
1 105 . 17 1 1 A 17 17 GLU N N 17 121.284 120.795 0.489 1
1 106 . 17 1 1 A 17 17 GLU H H 17 8.683 7.865 0.818 1
1 107 . 17 1 1 A 17 17 GLU CA C 17 57.922 59.398 -1.476 1
1 108 . 17 1 1 A 17 17 GLU HA H 17 4.295 3.960 0.335 1
1 109 . 17 1 1 A 17 17 GLU CB C 17 29.778 28.960 0.818 1
1 115 . 17 1 1 A 17 17 GLU C C 17 177.066 177.897 -0.831 1
1 116 . 17 1 1 A 18 18 CYS N N 18 115.033 114.757 0.276 1
1 117 . 17 1 1 A 18 18 CYS H H 18 7.942 7.766 0.176 1
1 118 . 17 1 1 A 18 18 CYS CA C 18 58.453 59.509 -1.056 1
1 119 . 17 1 1 A 18 18 CYS HA H 18 5.187 4.584 0.603 1
1 120 . 17 1 1 A 18 18 CYS CB C 18 32.524 29.867 2.657 1
1 123 . 17 1 1 A 18 18 CYS C C 18 176.135 175.464 0.671 1
1 124 . 17 1 1 A 19 19 GLY N N 19 112.484 109.853 2.631 1
1 125 . 17 1 1 A 19 19 GLY H H 19 8.139 8.008 0.131 1
1 126 . 17 1 1 A 19 19 GLY CA C 19 46.297 45.002 1.295 1
1 127 . 17 1 1 A 19 19 GLY HA2 H 19 4.269 4.092 0.177 1
1 128 . 17 1 1 A 19 19 GLY HA3 H 19 3.800 4.102 -0.302 1
1 129 . 17 1 1 A 19 19 GLY C C 19 174.065 174.110 -0.045 1
1 130 . 17 1 1 A 20 20 LYS N N 20 123.711 120.486 3.225 1
1 131 . 17 1 1 A 20 20 LYS H H 20 8.048 7.467 0.581 1
1 132 . 17 1 1 A 20 20 LYS CA C 20 58.446 55.443 3.003 1
1 133 . 17 1 1 A 20 20 LYS HA H 20 4.045 4.339 -0.294 1
1 134 . 17 1 1 A 20 20 LYS CB C 20 33.391 33.268 0.123 1
1 146 . 17 1 1 A 20 20 LYS C C 20 174.750 176.051 -1.301 1
1 147 . 17 1 1 A 21 21 SER N N 21 114.286 118.726 -4.440 1
1 148 . 17 1 1 A 21 21 SER H H 21 7.863 8.493 -0.630 1
1 149 . 17 1 1 A 21 21 SER CA C 21 56.933 56.951 -0.018 1
1 150 . 17 1 1 A 21 21 SER HA H 21 5.398 5.341 0.057 1
1 151 . 17 1 1 A 21 21 SER CB C 21 66.461 65.826 0.635 1
1 154 . 17 1 1 A 21 21 SER C C 21 172.635 173.399 -0.764 1
1 155 . 17 1 1 A 22 22 TYR N N 22 117.528 118.242 -0.714 1
1 156 . 17 1 1 A 22 22 TYR H H 22 8.774 8.630 0.144 1
1 157 . 17 1 1 A 22 22 TYR CA C 22 58.061 56.747 1.314 1
1 158 . 17 1 1 A 22 22 TYR HA H 22 4.750 5.058 -0.308 1
1 159 . 17 1 1 A 22 22 TYR CB C 22 44.125 43.294 0.831 1
1 170 . 17 1 1 A 22 22 TYR C C 22 174.955 175.736 -0.781 1
1 171 . 17 1 1 A 23 23 ASN N N 23 118.657 120.261 -1.604 1
1 172 . 17 1 1 A 23 23 ASN H H 23 9.444 9.140 0.304 1
1 173 . 17 1 1 A 23 23 ASN CA C 23 54.765 54.684 0.081 1
1 174 . 17 1 1 A 23 23 ASN HA H 23 5.029 4.764 0.265 1
1 175 . 17 1 1 A 23 23 ASN CB C 23 40.282 39.849 0.433 1
1 181 . 17 1 1 A 23 23 ASN C C 23 175.004 175.229 -0.225 1
1 182 . 17 1 1 A 24 24 GLN N N 24 114.619 117.263 -2.644 1
1 183 . 17 1 1 A 24 24 GLN H H 24 7.579 7.769 -0.190 1
1 184 . 17 1 1 A 24 24 GLN CA C 24 54.151 54.585 -0.434 1
1 185 . 17 1 1 A 24 24 GLN HA H 24 4.692 4.967 -0.275 1
1 186 . 17 1 1 A 24 24 GLN CB C 24 31.829 31.943 -0.114 1
1 195 . 17 1 1 A 24 24 GLN C C 24 175.731 175.854 -0.123 1
1 196 . 17 1 1 A 25 25 ARG N N 25 127.274 123.196 4.078 1
1 197 . 17 1 1 A 25 25 ARG H H 25 8.350 8.870 -0.520 1
1 198 . 17 1 1 A 25 25 ARG CA C 25 59.687 58.965 0.722 1
1 199 . 17 1 1 A 25 25 ARG HA H 25 2.879 3.097 -0.218 1
1 200 . 17 1 1 A 25 25 ARG CB C 25 29.082 30.330 -1.248 1
1 209 . 17 1 1 A 25 25 ARG C C 25 178.363 178.424 -0.061 1
1 210 . 17 1 1 A 26 26 VAL N N 26 115.093 119.798 -4.705 1
1 211 . 17 1 1 A 26 26 VAL H H 26 8.274 8.084 0.190 1
1 212 . 17 1 1 A 26 26 VAL CA C 26 64.611 64.781 -0.170 1
1 213 . 17 1 1 A 26 26 VAL HA H 26 3.908 3.731 0.177 1
1 214 . 17 1 1 A 26 26 VAL CB C 26 31.070 31.521 -0.451 1
1 224 . 17 1 1 A 26 26 VAL C C 26 176.893 177.079 -0.186 1
1 225 . 17 1 1 A 27 27 HIS N N 27 119.161 118.202 0.959 1
1 226 . 17 1 1 A 27 27 HIS H H 27 6.525 7.759 -1.234 1
1 227 . 17 1 1 A 27 27 HIS CA C 27 57.177 59.901 -2.724 1
1 228 . 17 1 1 A 27 27 HIS HA H 27 4.387 4.317 0.070 1
1 229 . 17 1 1 A 27 27 HIS CB C 27 31.423 30.413 1.010 1
1 236 . 17 1 1 A 27 27 HIS C C 27 178.508 177.517 0.991 1
1 237 . 17 1 1 A 28 28 LEU N N 28 121.662 121.525 0.137 1
1 238 . 17 1 1 A 28 28 LEU H H 28 7.064 8.188 -1.124 1
1 239 . 17 1 1 A 28 28 LEU CA C 28 58.041 57.752 0.289 1
1 240 . 17 1 1 A 28 28 LEU HA H 28 3.807 3.659 0.148 1
1 241 . 17 1 1 A 28 28 LEU CB C 28 40.232 41.686 -1.454 1
1 254 . 17 1 1 A 28 28 LEU C C 28 177.776 178.290 -0.514 1
1 255 . 17 1 1 A 29 29 THR N N 29 116.331 114.091 2.240 1
1 256 . 17 1 1 A 29 29 THR H H 29 8.606 8.124 0.482 1
1 257 . 17 1 1 A 29 29 THR CA C 29 66.300 65.671 0.629 1
1 258 . 17 1 1 A 29 29 THR HA H 29 4.009 3.780 0.229 1
1 259 . 17 1 1 A 29 29 THR CB C 29 68.317 68.856 -0.539 1
1 265 . 17 1 1 A 29 29 THR C C 29 177.336 176.725 0.611 1
1 266 . 17 1 1 A 30 30 GLN N N 30 119.465 119.646 -0.181 1
1 267 . 17 1 1 A 30 30 GLN H H 30 7.838 7.476 0.362 1
1 268 . 17 1 1 A 30 30 GLN CA C 30 58.851 58.721 0.130 1
1 269 . 17 1 1 A 30 30 GLN HA H 30 3.969 4.063 -0.094 1
1 270 . 17 1 1 A 30 30 GLN CB C 30 28.349 28.144 0.205 1
1 279 . 17 1 1 A 30 30 GLN C C 30 178.722 178.170 0.552 1
1 280 . 17 1 1 A 31 31 HIS N N 31 119.993 120.960 -0.967 1
1 281 . 17 1 1 A 31 31 HIS H H 31 7.664 8.083 -0.419 1
1 282 . 17 1 1 A 31 31 HIS CA C 31 59.107 59.703 -0.596 1
1 283 . 17 1 1 A 31 31 HIS HA H 31 4.287 4.143 0.144 1
1 284 . 17 1 1 A 31 31 HIS CB C 31 28.026 29.614 -1.588 1
1 291 . 17 1 1 A 31 31 HIS C C 31 176.251 177.481 -1.230 1
1 292 . 17 1 1 A 32 32 GLN N N 32 115.117 118.718 -3.601 1
1 293 . 17 1 1 A 32 32 GLN H H 32 8.424 8.270 0.154 1
1 294 . 17 1 1 A 32 32 GLN CA C 32 59.472 58.746 0.726 1
1 295 . 17 1 1 A 32 32 GLN HA H 32 3.613 3.872 -0.259 1
1 296 . 17 1 1 A 32 32 GLN CB C 32 28.286 28.329 -0.043 1
1 305 . 17 1 1 A 32 32 GLN C C 32 177.186 178.259 -1.073 1
1 306 . 17 1 1 A 33 33 ARG N N 33 117.852 119.448 -1.596 1
1 307 . 17 1 1 A 33 33 ARG H H 33 7.105 7.913 -0.808 1
1 308 . 17 1 1 A 33 33 ARG CA C 33 58.492 58.317 0.175 1
1 309 . 17 1 1 A 33 33 ARG HA H 33 4.149 4.329 -0.180 1
1 310 . 17 1 1 A 33 33 ARG CB C 33 30.080 30.018 0.062 1
1 319 . 17 1 1 A 33 33 ARG C C 33 178.535 178.214 0.321 1
1 320 . 17 1 1 A 34 34 VAL N N 34 115.844 117.053 -1.209 1
1 321 . 17 1 1 A 34 34 VAL H H 34 7.971 7.170 0.801 1
1 322 . 17 1 1 A 34 34 VAL CA C 34 63.982 65.241 -1.259 1
1 323 . 17 1 1 A 34 34 VAL HA H 34 3.936 3.798 0.138 1
1 324 . 17 1 1 A 34 34 VAL CB C 34 31.159 30.886 0.273 1
1 334 . 17 1 1 A 34 34 VAL C C 34 177.254 176.580 0.674 1
1 335 . 17 1 1 A 35 35 HIS N N 35 117.345 118.953 -1.608 1
1 336 . 17 1 1 A 35 35 HIS H H 35 7.225 7.792 -0.567 1
1 337 . 17 1 1 A 35 35 HIS CA C 35 55.058 57.119 -2.061 1
1 338 . 17 1 1 A 35 35 HIS HA H 35 4.895 4.511 0.384 1
1 339 . 17 1 1 A 35 35 HIS CB C 35 28.620 31.038 -2.418 1
1 346 . 17 1 1 A 35 35 HIS C C 35 175.716 175.170 0.546 1
1 347 . 17 1 1 A 36 36 THR N N 36 111.842 112.204 -0.362 1
1 348 . 17 1 1 A 36 36 THR H H 36 7.775 7.611 0.164 1
1 349 . 17 1 1 A 36 36 THR CA C 36 62.514 63.117 -0.603 1
1 350 . 17 1 1 A 36 36 THR HA H 36 4.374 4.238 0.136 1
1 351 . 17 1 1 A 36 36 THR CB C 36 69.853 68.526 1.327 1
1 357 . 17 1 1 A 36 36 THR C C 36 175.509 174.997 0.512 1
1 358 . 17 1 1 A 37 37 GLY N N 37 110.650 113.099 -2.449 1
1 359 . 17 1 1 A 37 37 GLY H H 37 8.235 9.087 -0.852 1
1 360 . 17 1 1 A 37 37 GLY CA C 37 45.420 47.062 -1.642 1
1 361 . 17 1 1 A 37 37 GLY HA2 H 37 3.960 3.865 0.095 1
1 362 . 17 1 1 A 37 37 GLY HA3 H 37 4.040 3.871 0.169 1
1 363 . 17 1 1 A 37 37 GLY C C 37 173.979 174.226 -0.247 1
1 364 . 17 1 1 A 38 38 GLU N N 38 120.601 119.926 0.675 1
1 365 . 17 1 1 A 38 38 GLU H H 38 8.101 7.872 0.229 1
1 366 . 17 1 1 A 38 38 GLU CA C 38 56.476 54.997 1.479 1
1 367 . 17 1 1 A 38 38 GLU HA H 38 4.255 4.670 -0.415 1
1 368 . 17 1 1 A 38 38 GLU CB C 38 30.561 29.810 0.751 1
1 374 . 17 1 1 A 38 38 GLU C C 38 176.212 175.581 0.631 1
1 375 . 17 1 1 A 39 39 LYS N N 39 123.814 126.485 -2.671 1
1 376 . 17 1 1 A 39 39 LYS H H 39 8.413 8.348 0.065 1
1 377 . 17 1 1 A 39 39 LYS CA C 39 54.245 55.210 -0.965 1
1 378 . 17 1 1 A 39 39 LYS HA H 39 4.618 4.305 0.313 1
1 379 . 17 1 1 A 39 39 LYS CB C 39 32.519 31.803 0.716 1
1 391 . 17 1 1 A 39 39 LYS C C 39 174.467 174.656 -0.189 1
1 392 . 17 1 1 A 40 40 PRO CA C 40 63.219 62.523 0.696 1
1 393 . 17 1 1 A 40 40 PRO HA H 40 4.467 4.613 -0.146 1
1 394 . 17 1 1 A 40 40 PRO CB C 40 32.203 32.751 -0.548 1
1 403 . 17 1 1 A 40 40 PRO C C 40 173.930 176.818 -2.888 1
1 404 . 17 1 1 A 41 41 SER N N 41 116.519 116.674 -0.155 1
1 405 . 17 1 1 A 41 41 SER H H 41 8.488 8.775 -0.287 1
1 406 . 17 1 1 A 41 41 SER C C 41 178.949 175.388 3.561 1
1 407 . 17 1 1 A 42 42 GLY CA C 42 44.689 45.995 -1.306 1
1 408 . 17 1 1 A 42 42 GLY HA2 H 42 4.119 4.043 0.076 1
1 409 . 17 1 1 A 42 42 GLY HA3 H 42 4.173 4.044 0.129 1
1 410 . 17 1 1 A 43 43 PRO CA C 43 63.267 62.755 0.512 1
1 411 . 17 1 1 A 43 43 PRO HA H 43 4.485 4.742 -0.257 1
1 412 . 17 1 1 A 43 43 PRO CB C 43 32.227 30.800 1.427 1
1 421 . 17 1 1 A 45 45 SER CA C 45 58.370 57.336 1.034 1
1 422 . 17 1 1 A 45 45 SER HA H 45 4.495 5.174 -0.679 1
1 423 . 17 1 1 A 45 45 SER CB C 45 64.018 64.417 -0.399 1
1 425 . 17 1 1 A 45 45 SER C C 45 173.890 174.658 -0.768 1
1 1 . 18 1 1 A 8 8 THR CA C 8 61.919 62.294 -0.375 1
1 2 . 18 1 1 A 8 8 THR HA H 8 4.367 4.120 0.247 1
1 3 . 18 1 1 A 8 8 THR CB C 8 69.796 69.592 0.204 1
1 9 . 18 1 1 A 8 8 THR C C 8 175.193 174.515 0.678 1
1 10 . 18 1 1 A 9 9 GLY N N 9 111.079 109.936 1.143 1
1 11 . 18 1 1 A 9 9 GLY H H 9 8.450 8.388 0.062 1
1 12 . 18 1 1 A 9 9 GLY CA C 9 45.243 45.414 -0.171 1
1 13 . 18 1 1 A 9 9 GLY HA2 H 9 3.956 3.956 0.000 1
1 14 . 18 1 1 A 9 9 GLY HA3 H 9 3.956 3.957 -0.001 1
1 15 . 18 1 1 A 9 9 GLY C C 9 173.979 175.300 -1.321 1
1 16 . 18 1 1 A 10 10 GLU N N 10 120.501 115.797 4.704 1
1 17 . 18 1 1 A 10 10 GLU H H 10 8.192 8.063 0.129 1
1 18 . 18 1 1 A 10 10 GLU CA C 10 56.560 57.313 -0.753 1
1 19 . 18 1 1 A 10 10 GLU HA H 10 4.198 3.896 0.302 1
1 20 . 18 1 1 A 10 10 GLU CB C 10 30.474 27.305 3.169 1
1 26 . 18 1 1 A 10 10 GLU C C 10 176.188 175.845 0.343 1
1 27 . 18 1 1 A 11 11 LYS N N 11 122.926 119.604 3.322 1
1 28 . 18 1 1 A 11 11 LYS H H 11 8.346 7.814 0.532 1
1 29 . 18 1 1 A 11 11 LYS CA C 11 54.399 55.200 -0.801 1
1 30 . 18 1 1 A 11 11 LYS HA H 11 4.447 4.275 0.172 1
1 31 . 18 1 1 A 11 11 LYS CB C 11 32.473 31.941 0.532 1
1 43 . 18 1 1 A 11 11 LYS C C 11 174.709 176.719 -2.010 1
1 44 . 18 1 1 A 12 12 PRO CA C 12 64.071 64.166 -0.095 1
1 45 . 18 1 1 A 12 12 PRO HA H 12 4.194 4.232 -0.038 1
1 46 . 18 1 1 A 12 12 PRO CB C 12 32.233 31.123 1.110 1
1 55 . 18 1 1 A 12 12 PRO C C 12 176.563 175.655 0.908 1
1 56 . 18 1 1 A 13 13 PHE N N 13 117.437 118.206 -0.769 1
1 57 . 18 1 1 A 13 13 PHE H H 13 7.906 7.304 0.602 1
1 58 . 18 1 1 A 13 13 PHE CA C 13 57.216 56.341 0.875 1
1 59 . 18 1 1 A 13 13 PHE HA H 13 4.733 5.368 -0.635 1
1 60 . 18 1 1 A 13 13 PHE CB C 13 38.760 43.154 -4.394 1
1 73 . 18 1 1 A 13 13 PHE C C 13 174.019 174.362 -0.343 1
1 74 . 18 1 1 A 14 14 LYS N N 14 125.906 121.862 4.044 1
1 75 . 18 1 1 A 14 14 LYS H H 14 8.558 8.752 -0.194 1
1 76 . 18 1 1 A 14 14 LYS CA C 14 55.253 55.715 -0.462 1
1 77 . 18 1 1 A 14 14 LYS HA H 14 4.753 4.788 -0.035 1
1 78 . 18 1 1 A 14 14 LYS CB C 14 35.471 36.111 -0.640 1
1 90 . 18 1 1 A 14 14 LYS C C 14 175.156 174.601 0.555 1
1 91 . 18 1 1 A 15 15 CYS N N 15 128.017 124.891 3.126 1
1 92 . 18 1 1 A 15 15 CYS H H 15 9.322 9.459 -0.137 1
1 93 . 18 1 1 A 15 15 CYS CA C 15 59.976 59.527 0.449 1
1 94 . 18 1 1 A 15 15 CYS HA H 15 4.451 4.583 -0.132 1
1 95 . 18 1 1 A 15 15 CYS CB C 15 29.411 28.416 0.995 1
1 98 . 18 1 1 A 15 15 CYS C C 15 177.343 175.634 1.709 1
1 99 . 18 1 1 A 16 16 GLY N N 16 120.643 114.263 6.380 1
1 100 . 18 1 1 A 16 16 GLY H H 16 9.425 8.716 0.709 1
1 101 . 18 1 1 A 16 16 GLY CA C 16 46.692 46.025 0.667 1
1 102 . 18 1 1 A 16 16 GLY HA2 H 16 3.969 3.907 0.062 1
1 103 . 18 1 1 A 16 16 GLY HA3 H 16 4.034 3.916 0.118 1
1 104 . 18 1 1 A 16 16 GLY C C 16 174.008 175.639 -1.631 1
1 105 . 18 1 1 A 17 17 GLU N N 17 121.284 120.806 0.478 1
1 106 . 18 1 1 A 17 17 GLU H H 17 8.683 7.861 0.822 1
1 107 . 18 1 1 A 17 17 GLU CA C 17 57.922 59.210 -1.288 1
1 108 . 18 1 1 A 17 17 GLU HA H 17 4.295 3.901 0.394 1
1 109 . 18 1 1 A 17 17 GLU CB C 17 29.778 28.522 1.256 1
1 115 . 18 1 1 A 17 17 GLU C C 17 177.066 177.742 -0.676 1
1 116 . 18 1 1 A 18 18 CYS N N 18 115.033 114.847 0.186 1
1 117 . 18 1 1 A 18 18 CYS H H 18 7.942 7.274 0.668 1
1 118 . 18 1 1 A 18 18 CYS CA C 18 58.453 59.531 -1.078 1
1 119 . 18 1 1 A 18 18 CYS HA H 18 5.187 4.620 0.567 1
1 120 . 18 1 1 A 18 18 CYS CB C 18 32.524 29.957 2.567 1
1 123 . 18 1 1 A 18 18 CYS C C 18 176.135 175.398 0.737 1
1 124 . 18 1 1 A 19 19 GLY N N 19 112.484 110.169 2.315 1
1 125 . 18 1 1 A 19 19 GLY H H 19 8.139 8.139 0.000 1
1 126 . 18 1 1 A 19 19 GLY CA C 19 46.297 45.355 0.942 1
1 127 . 18 1 1 A 19 19 GLY HA2 H 19 4.269 4.075 0.194 1
1 128 . 18 1 1 A 19 19 GLY HA3 H 19 3.800 4.087 -0.287 1
1 129 . 18 1 1 A 19 19 GLY C C 19 174.065 174.219 -0.154 1
1 130 . 18 1 1 A 20 20 LYS N N 20 123.711 119.930 3.781 1
1 131 . 18 1 1 A 20 20 LYS H H 20 8.048 7.964 0.084 1
1 132 . 18 1 1 A 20 20 LYS CA C 20 58.446 54.516 3.930 1
1 133 . 18 1 1 A 20 20 LYS HA H 20 4.045 4.474 -0.429 1
1 134 . 18 1 1 A 20 20 LYS CB C 20 33.391 34.450 -1.059 1
1 146 . 18 1 1 A 20 20 LYS C C 20 174.750 175.347 -0.597 1
1 147 . 18 1 1 A 21 21 SER N N 21 114.286 117.737 -3.451 1
1 148 . 18 1 1 A 21 21 SER H H 21 7.863 8.731 -0.868 1
1 149 . 18 1 1 A 21 21 SER CA C 21 56.933 56.234 0.699 1
1 150 . 18 1 1 A 21 21 SER HA H 21 5.398 5.611 -0.213 1
1 151 . 18 1 1 A 21 21 SER CB C 21 66.461 65.869 0.592 1
1 154 . 18 1 1 A 21 21 SER C C 21 172.635 173.484 -0.849 1
1 155 . 18 1 1 A 22 22 TYR N N 22 117.528 118.468 -0.940 1
1 156 . 18 1 1 A 22 22 TYR H H 22 8.774 8.764 0.010 1
1 157 . 18 1 1 A 22 22 TYR CA C 22 58.061 56.486 1.575 1
1 158 . 18 1 1 A 22 22 TYR HA H 22 4.750 5.085 -0.335 1
1 159 . 18 1 1 A 22 22 TYR CB C 22 44.125 41.517 2.608 1
1 170 . 18 1 1 A 22 22 TYR C C 22 174.955 176.039 -1.084 1
1 171 . 18 1 1 A 23 23 ASN N N 23 118.657 123.560 -4.903 1
1 172 . 18 1 1 A 23 23 ASN H H 23 9.444 9.016 0.428 1
1 173 . 18 1 1 A 23 23 ASN CA C 23 54.765 56.012 -1.247 1
1 174 . 18 1 1 A 23 23 ASN HA H 23 5.029 4.532 0.497 1
1 175 . 18 1 1 A 23 23 ASN CB C 23 40.282 38.516 1.766 1
1 181 . 18 1 1 A 23 23 ASN C C 23 175.004 175.113 -0.109 1
1 182 . 18 1 1 A 24 24 GLN N N 24 114.619 117.525 -2.906 1
1 183 . 18 1 1 A 24 24 GLN H H 24 7.579 7.984 -0.405 1
1 184 . 18 1 1 A 24 24 GLN CA C 24 54.151 54.724 -0.573 1
1 185 . 18 1 1 A 24 24 GLN HA H 24 4.692 4.868 -0.176 1
1 186 . 18 1 1 A 24 24 GLN CB C 24 31.829 31.276 0.553 1
1 195 . 18 1 1 A 24 24 GLN C C 24 175.731 176.040 -0.309 1
1 196 . 18 1 1 A 25 25 ARG N N 25 127.274 123.668 3.606 1
1 197 . 18 1 1 A 25 25 ARG H H 25 8.350 9.034 -0.684 1
1 198 . 18 1 1 A 25 25 ARG CA C 25 59.687 57.993 1.694 1
1 199 . 18 1 1 A 25 25 ARG HA H 25 2.879 2.945 -0.066 1
1 200 . 18 1 1 A 25 25 ARG CB C 25 29.082 29.570 -0.488 1
1 209 . 18 1 1 A 25 25 ARG C C 25 178.363 177.107 1.256 1
1 210 . 18 1 1 A 26 26 VAL N N 26 115.093 118.451 -3.358 1
1 211 . 18 1 1 A 26 26 VAL H H 26 8.274 8.021 0.253 1
1 212 . 18 1 1 A 26 26 VAL CA C 26 64.611 64.476 0.135 1
1 213 . 18 1 1 A 26 26 VAL HA H 26 3.908 3.776 0.132 1
1 214 . 18 1 1 A 26 26 VAL CB C 26 31.070 31.447 -0.377 1
1 224 . 18 1 1 A 26 26 VAL C C 26 176.893 176.988 -0.095 1
1 225 . 18 1 1 A 27 27 HIS N N 27 119.161 118.824 0.337 1
1 226 . 18 1 1 A 27 27 HIS H H 27 6.525 7.719 -1.194 1
1 227 . 18 1 1 A 27 27 HIS CA C 27 57.177 59.748 -2.571 1
1 228 . 18 1 1 A 27 27 HIS HA H 27 4.387 4.371 0.016 1
1 229 . 18 1 1 A 27 27 HIS CB C 27 31.423 30.599 0.824 1
1 236 . 18 1 1 A 27 27 HIS C C 27 178.508 177.604 0.904 1
1 237 . 18 1 1 A 28 28 LEU N N 28 121.662 121.117 0.545 1
1 238 . 18 1 1 A 28 28 LEU H H 28 7.064 8.013 -0.949 1
1 239 . 18 1 1 A 28 28 LEU CA C 28 58.041 57.917 0.124 1
1 240 . 18 1 1 A 28 28 LEU HA H 28 3.807 3.454 0.353 1
1 241 . 18 1 1 A 28 28 LEU CB C 28 40.232 41.828 -1.596 1
1 254 . 18 1 1 A 28 28 LEU C C 28 177.776 178.233 -0.457 1
1 255 . 18 1 1 A 29 29 THR N N 29 116.331 114.054 2.277 1
1 256 . 18 1 1 A 29 29 THR H H 29 8.606 7.825 0.781 1
1 257 . 18 1 1 A 29 29 THR CA C 29 66.300 65.402 0.898 1
1 258 . 18 1 1 A 29 29 THR HA H 29 4.009 4.071 -0.062 1
1 259 . 18 1 1 A 29 29 THR CB C 29 68.317 68.942 -0.625 1
1 265 . 18 1 1 A 29 29 THR C C 29 177.336 176.473 0.863 1
1 266 . 18 1 1 A 30 30 GLN N N 30 119.465 120.586 -1.121 1
1 267 . 18 1 1 A 30 30 GLN H H 30 7.838 7.748 0.090 1
1 268 . 18 1 1 A 30 30 GLN CA C 30 58.851 58.603 0.248 1
1 269 . 18 1 1 A 30 30 GLN HA H 30 3.969 4.112 -0.143 1
1 270 . 18 1 1 A 30 30 GLN CB C 30 28.349 28.609 -0.260 1
1 279 . 18 1 1 A 30 30 GLN C C 30 178.722 178.280 0.442 1
1 280 . 18 1 1 A 31 31 HIS N N 31 119.993 121.025 -1.032 1
1 281 . 18 1 1 A 31 31 HIS H H 31 7.664 8.257 -0.593 1
1 282 . 18 1 1 A 31 31 HIS CA C 31 59.107 59.523 -0.416 1
1 283 . 18 1 1 A 31 31 HIS HA H 31 4.287 4.172 0.115 1
1 284 . 18 1 1 A 31 31 HIS CB C 31 28.026 29.514 -1.488 1
1 291 . 18 1 1 A 31 31 HIS C C 31 176.251 177.474 -1.223 1
1 292 . 18 1 1 A 32 32 GLN N N 32 115.117 118.716 -3.599 1
1 293 . 18 1 1 A 32 32 GLN H H 32 8.424 8.315 0.109 1
1 294 . 18 1 1 A 32 32 GLN CA C 32 59.472 58.705 0.767 1
1 295 . 18 1 1 A 32 32 GLN HA H 32 3.613 3.937 -0.324 1
1 296 . 18 1 1 A 32 32 GLN CB C 32 28.286 28.390 -0.104 1
1 305 . 18 1 1 A 32 32 GLN C C 32 177.186 177.922 -0.736 1
1 306 . 18 1 1 A 33 33 ARG N N 33 117.852 119.277 -1.425 1
1 307 . 18 1 1 A 33 33 ARG H H 33 7.105 7.851 -0.746 1
1 308 . 18 1 1 A 33 33 ARG CA C 33 58.492 58.249 0.243 1
1 309 . 18 1 1 A 33 33 ARG HA H 33 4.149 3.997 0.152 1
1 310 . 18 1 1 A 33 33 ARG CB C 33 30.080 29.958 0.122 1
1 319 . 18 1 1 A 33 33 ARG C C 33 178.535 178.097 0.438 1
1 320 . 18 1 1 A 34 34 VAL N N 34 115.844 116.794 -0.950 1
1 321 . 18 1 1 A 34 34 VAL H H 34 7.971 7.444 0.527 1
1 322 . 18 1 1 A 34 34 VAL CA C 34 63.982 64.254 -0.272 1
1 323 . 18 1 1 A 34 34 VAL HA H 34 3.936 3.884 0.052 1
1 324 . 18 1 1 A 34 34 VAL CB C 34 31.159 31.137 0.022 1
1 334 . 18 1 1 A 34 34 VAL C C 34 177.254 176.178 1.076 1
1 335 . 18 1 1 A 35 35 HIS N N 35 117.345 119.279 -1.934 1
1 336 . 18 1 1 A 35 35 HIS H H 35 7.225 7.480 -0.255 1
1 337 . 18 1 1 A 35 35 HIS CA C 35 55.058 55.720 -0.662 1
1 338 . 18 1 1 A 35 35 HIS HA H 35 4.895 4.695 0.200 1
1 339 . 18 1 1 A 35 35 HIS CB C 35 28.620 29.928 -1.308 1
1 346 . 18 1 1 A 35 35 HIS C C 35 175.716 174.627 1.089 1
1 347 . 18 1 1 A 36 36 THR N N 36 111.842 113.498 -1.656 1
1 348 . 18 1 1 A 36 36 THR H H 36 7.775 7.588 0.187 1
1 349 . 18 1 1 A 36 36 THR CA C 36 62.514 61.461 1.053 1
1 350 . 18 1 1 A 36 36 THR HA H 36 4.374 4.510 -0.136 1
1 351 . 18 1 1 A 36 36 THR CB C 36 69.853 71.176 -1.323 1
1 357 . 18 1 1 A 36 36 THR C C 36 175.509 172.364 3.145 1
1 358 . 18 1 1 A 37 37 GLY N N 37 110.650 114.790 -4.140 1
1 359 . 18 1 1 A 37 37 GLY H H 37 8.235 8.412 -0.177 1
1 360 . 18 1 1 A 37 37 GLY CA C 37 45.420 45.681 -0.261 1
1 361 . 18 1 1 A 37 37 GLY HA2 H 37 3.960 4.162 -0.202 1
1 362 . 18 1 1 A 37 37 GLY HA3 H 37 4.040 4.163 -0.123 1
1 363 . 18 1 1 A 37 37 GLY C C 37 173.979 174.012 -0.033 1
1 364 . 18 1 1 A 38 38 GLU N N 38 120.601 116.275 4.326 1
1 365 . 18 1 1 A 38 38 GLU H H 38 8.101 8.112 -0.011 1
1 366 . 18 1 1 A 38 38 GLU CA C 38 56.476 57.246 -0.770 1
1 367 . 18 1 1 A 38 38 GLU HA H 38 4.255 4.031 0.224 1
1 368 . 18 1 1 A 38 38 GLU CB C 38 30.561 27.380 3.181 1
1 374 . 18 1 1 A 38 38 GLU C C 38 176.212 175.748 0.464 1
1 375 . 18 1 1 A 39 39 LYS N N 39 123.814 121.783 2.031 1
1 376 . 18 1 1 A 39 39 LYS H H 39 8.413 7.761 0.652 1
1 377 . 18 1 1 A 39 39 LYS CA C 39 54.245 53.045 1.200 1
1 378 . 18 1 1 A 39 39 LYS HA H 39 4.618 4.759 -0.141 1
1 379 . 18 1 1 A 39 39 LYS CB C 39 32.519 35.167 -2.648 1
1 391 . 18 1 1 A 39 39 LYS C C 39 174.467 174.273 0.194 1
1 392 . 18 1 1 A 40 40 PRO CA C 40 63.219 62.775 0.444 1
1 393 . 18 1 1 A 40 40 PRO HA H 40 4.467 4.647 -0.180 1
1 394 . 18 1 1 A 40 40 PRO CB C 40 32.203 31.620 0.583 1
1 403 . 18 1 1 A 40 40 PRO C C 40 173.930 177.916 -3.986 1
1 404 . 18 1 1 A 41 41 SER N N 41 116.519 119.210 -2.691 1
1 405 . 18 1 1 A 41 41 SER H H 41 8.488 8.651 -0.163 1
1 406 . 18 1 1 A 41 41 SER C C 41 178.949 174.681 4.268 1
1 407 . 18 1 1 A 42 42 GLY CA C 42 44.689 44.053 0.636 1
1 408 . 18 1 1 A 42 42 GLY HA2 H 42 4.119 4.216 -0.097 1
1 409 . 18 1 1 A 42 42 GLY HA3 H 42 4.173 4.216 -0.043 1
1 410 . 18 1 1 A 43 43 PRO CA C 43 63.267 63.990 -0.723 1
1 411 . 18 1 1 A 43 43 PRO HA H 43 4.485 4.514 -0.029 1
1 412 . 18 1 1 A 43 43 PRO CB C 43 32.227 31.825 0.402 1
1 421 . 18 1 1 A 45 45 SER CA C 45 58.370 60.102 -1.732 1
1 422 . 18 1 1 A 45 45 SER HA H 45 4.495 4.159 0.336 1
1 423 . 18 1 1 A 45 45 SER CB C 45 64.018 62.691 1.327 1
1 425 . 18 1 1 A 45 45 SER C C 45 173.890 175.839 -1.949 1
1 1 . 19 1 1 A 8 8 THR CA C 8 61.919 64.294 -2.375 1
1 2 . 19 1 1 A 8 8 THR HA H 8 4.367 4.244 0.123 1
1 3 . 19 1 1 A 8 8 THR CB C 8 69.796 70.084 -0.288 1
1 9 . 19 1 1 A 8 8 THR C C 8 175.193 174.694 0.499 1
1 10 . 19 1 1 A 9 9 GLY N N 9 111.079 106.889 4.190 1
1 11 . 19 1 1 A 9 9 GLY H H 9 8.450 7.357 1.093 1
1 12 . 19 1 1 A 9 9 GLY CA C 9 45.243 45.861 -0.618 1
1 13 . 19 1 1 A 9 9 GLY HA2 H 9 3.956 4.054 -0.098 1
1 14 . 19 1 1 A 9 9 GLY HA3 H 9 3.956 4.059 -0.103 1
1 15 . 19 1 1 A 9 9 GLY C C 9 173.979 171.308 2.671 1
1 16 . 19 1 1 A 10 10 GLU N N 10 120.501 117.871 2.630 1
1 17 . 19 1 1 A 10 10 GLU H H 10 8.192 8.685 -0.493 1
1 18 . 19 1 1 A 10 10 GLU CA C 10 56.560 54.786 1.774 1
1 19 . 19 1 1 A 10 10 GLU HA H 10 4.198 4.959 -0.761 1
1 20 . 19 1 1 A 10 10 GLU CB C 10 30.474 33.022 -2.548 1
1 26 . 19 1 1 A 10 10 GLU C C 10 176.188 175.764 0.424 1
1 27 . 19 1 1 A 11 11 LYS N N 11 122.926 121.603 1.323 1
1 28 . 19 1 1 A 11 11 LYS H H 11 8.346 8.522 -0.176 1
1 29 . 19 1 1 A 11 11 LYS CA C 11 54.399 55.087 -0.688 1
1 30 . 19 1 1 A 11 11 LYS HA H 11 4.447 4.196 0.251 1
1 31 . 19 1 1 A 11 11 LYS CB C 11 32.473 31.778 0.695 1
1 43 . 19 1 1 A 11 11 LYS C C 11 174.709 176.421 -1.712 1
1 44 . 19 1 1 A 12 12 PRO CA C 12 64.071 64.085 -0.014 1
1 45 . 19 1 1 A 12 12 PRO HA H 12 4.194 4.255 -0.061 1
1 46 . 19 1 1 A 12 12 PRO CB C 12 32.233 31.049 1.184 1
1 55 . 19 1 1 A 12 12 PRO C C 12 176.563 175.681 0.882 1
1 56 . 19 1 1 A 13 13 PHE N N 13 117.437 118.111 -0.674 1
1 57 . 19 1 1 A 13 13 PHE H H 13 7.906 7.265 0.641 1
1 58 . 19 1 1 A 13 13 PHE CA C 13 57.216 56.507 0.709 1
1 59 . 19 1 1 A 13 13 PHE HA H 13 4.733 5.292 -0.559 1
1 60 . 19 1 1 A 13 13 PHE CB C 13 38.760 43.084 -4.324 1
1 73 . 19 1 1 A 13 13 PHE C C 13 174.019 174.217 -0.198 1
1 74 . 19 1 1 A 14 14 LYS N N 14 125.906 122.361 3.545 1
1 75 . 19 1 1 A 14 14 LYS H H 14 8.558 8.762 -0.204 1
1 76 . 19 1 1 A 14 14 LYS CA C 14 55.253 55.723 -0.470 1
1 77 . 19 1 1 A 14 14 LYS HA H 14 4.753 4.907 -0.154 1
1 78 . 19 1 1 A 14 14 LYS CB C 14 35.471 36.732 -1.261 1
1 90 . 19 1 1 A 14 14 LYS C C 14 175.156 174.018 1.138 1
1 91 . 19 1 1 A 15 15 CYS N N 15 128.017 123.852 4.165 1
1 92 . 19 1 1 A 15 15 CYS H H 15 9.322 8.732 0.590 1
1 93 . 19 1 1 A 15 15 CYS CA C 15 59.976 58.055 1.921 1
1 94 . 19 1 1 A 15 15 CYS HA H 15 4.451 4.906 -0.455 1
1 95 . 19 1 1 A 15 15 CYS CB C 15 29.411 29.765 -0.354 1
1 98 . 19 1 1 A 15 15 CYS C C 15 177.343 175.746 1.597 1
1 99 . 19 1 1 A 16 16 GLY N N 16 120.643 114.362 6.281 1
1 100 . 19 1 1 A 16 16 GLY H H 16 9.425 8.695 0.730 1
1 101 . 19 1 1 A 16 16 GLY CA C 16 46.692 46.049 0.643 1
1 102 . 19 1 1 A 16 16 GLY HA2 H 16 3.969 3.911 0.058 1
1 103 . 19 1 1 A 16 16 GLY HA3 H 16 4.034 3.917 0.117 1
1 104 . 19 1 1 A 16 16 GLY C C 16 174.008 175.616 -1.608 1
1 105 . 19 1 1 A 17 17 GLU N N 17 121.284 120.795 0.489 1
1 106 . 19 1 1 A 17 17 GLU H H 17 8.683 7.486 1.197 1
1 107 . 19 1 1 A 17 17 GLU CA C 17 57.922 59.220 -1.298 1
1 108 . 19 1 1 A 17 17 GLU HA H 17 4.295 3.925 0.370 1
1 109 . 19 1 1 A 17 17 GLU CB C 17 29.778 28.531 1.247 1
1 115 . 19 1 1 A 17 17 GLU C C 17 177.066 178.069 -1.003 1
1 116 . 19 1 1 A 18 18 CYS N N 18 115.033 114.831 0.202 1
1 117 . 19 1 1 A 18 18 CYS H H 18 7.942 7.303 0.639 1
1 118 . 19 1 1 A 18 18 CYS CA C 18 58.453 59.592 -1.139 1
1 119 . 19 1 1 A 18 18 CYS HA H 18 5.187 4.570 0.617 1
1 120 . 19 1 1 A 18 18 CYS CB C 18 32.524 29.586 2.938 1
1 123 . 19 1 1 A 18 18 CYS C C 18 176.135 175.241 0.894 1
1 124 . 19 1 1 A 19 19 GLY N N 19 112.484 110.245 2.239 1
1 125 . 19 1 1 A 19 19 GLY H H 19 8.139 8.091 0.048 1
1 126 . 19 1 1 A 19 19 GLY CA C 19 46.297 45.189 1.108 1
1 127 . 19 1 1 A 19 19 GLY HA2 H 19 4.269 4.075 0.194 1
1 128 . 19 1 1 A 19 19 GLY HA3 H 19 3.800 4.086 -0.286 1
1 129 . 19 1 1 A 19 19 GLY C C 19 174.065 174.149 -0.084 1
1 130 . 19 1 1 A 20 20 LYS N N 20 123.711 119.641 4.070 1
1 131 . 19 1 1 A 20 20 LYS H H 20 8.048 7.905 0.143 1
1 132 . 19 1 1 A 20 20 LYS CA C 20 58.446 55.262 3.184 1
1 133 . 19 1 1 A 20 20 LYS HA H 20 4.045 4.335 -0.290 1
1 134 . 19 1 1 A 20 20 LYS CB C 20 33.391 33.305 0.086 1
1 146 . 19 1 1 A 20 20 LYS C C 20 174.750 175.651 -0.901 1
1 147 . 19 1 1 A 21 21 SER N N 21 114.286 116.625 -2.339 1
1 148 . 19 1 1 A 21 21 SER H H 21 7.863 8.562 -0.699 1
1 149 . 19 1 1 A 21 21 SER CA C 21 56.933 55.915 1.018 1
1 150 . 19 1 1 A 21 21 SER HA H 21 5.398 5.525 -0.127 1
1 151 . 19 1 1 A 21 21 SER CB C 21 66.461 66.046 0.415 1
1 154 . 19 1 1 A 21 21 SER C C 21 172.635 173.370 -0.735 1
1 155 . 19 1 1 A 22 22 TYR N N 22 117.528 118.375 -0.847 1
1 156 . 19 1 1 A 22 22 TYR H H 22 8.774 8.412 0.362 1
1 157 . 19 1 1 A 22 22 TYR CA C 22 58.061 56.541 1.520 1
1 158 . 19 1 1 A 22 22 TYR HA H 22 4.750 5.006 -0.256 1
1 159 . 19 1 1 A 22 22 TYR CB C 22 44.125 42.130 1.995 1
1 170 . 19 1 1 A 22 22 TYR C C 22 174.955 175.978 -1.023 1
1 171 . 19 1 1 A 23 23 ASN N N 23 118.657 123.239 -4.582 1
1 172 . 19 1 1 A 23 23 ASN H H 23 9.444 9.002 0.442 1
1 173 . 19 1 1 A 23 23 ASN CA C 23 54.765 56.415 -1.650 1
1 174 . 19 1 1 A 23 23 ASN HA H 23 5.029 4.505 0.524 1
1 175 . 19 1 1 A 23 23 ASN CB C 23 40.282 38.167 2.115 1
1 181 . 19 1 1 A 23 23 ASN C C 23 175.004 175.477 -0.473 1
1 182 . 19 1 1 A 24 24 GLN N N 24 114.619 117.264 -2.645 1
1 183 . 19 1 1 A 24 24 GLN H H 24 7.579 8.001 -0.422 1
1 184 . 19 1 1 A 24 24 GLN CA C 24 54.151 54.510 -0.359 1
1 185 . 19 1 1 A 24 24 GLN HA H 24 4.692 4.812 -0.120 1
1 186 . 19 1 1 A 24 24 GLN CB C 24 31.829 30.250 1.579 1
1 195 . 19 1 1 A 24 24 GLN C C 24 175.731 176.118 -0.387 1
1 196 . 19 1 1 A 25 25 ARG N N 25 127.274 122.777 4.497 1
1 197 . 19 1 1 A 25 25 ARG H H 25 8.350 8.617 -0.267 1
1 198 . 19 1 1 A 25 25 ARG CA C 25 59.687 58.631 1.056 1
1 199 . 19 1 1 A 25 25 ARG HA H 25 2.879 3.484 -0.605 1
1 200 . 19 1 1 A 25 25 ARG CB C 25 29.082 30.366 -1.284 1
1 209 . 19 1 1 A 25 25 ARG C C 25 178.363 178.618 -0.255 1
1 210 . 19 1 1 A 26 26 VAL N N 26 115.093 119.983 -4.890 1
1 211 . 19 1 1 A 26 26 VAL H H 26 8.274 8.055 0.219 1
1 212 . 19 1 1 A 26 26 VAL CA C 26 64.611 64.776 -0.165 1
1 213 . 19 1 1 A 26 26 VAL HA H 26 3.908 3.751 0.157 1
1 214 . 19 1 1 A 26 26 VAL CB C 26 31.070 31.474 -0.404 1
1 224 . 19 1 1 A 26 26 VAL C C 26 176.893 176.969 -0.076 1
1 225 . 19 1 1 A 27 27 HIS N N 27 119.161 118.816 0.345 1
1 226 . 19 1 1 A 27 27 HIS H H 27 6.525 7.824 -1.299 1
1 227 . 19 1 1 A 27 27 HIS CA C 27 57.177 59.830 -2.653 1
1 228 . 19 1 1 A 27 27 HIS HA H 27 4.387 4.253 0.134 1
1 229 . 19 1 1 A 27 27 HIS CB C 27 31.423 30.751 0.672 1
1 236 . 19 1 1 A 27 27 HIS C C 27 178.508 177.599 0.909 1
1 237 . 19 1 1 A 28 28 LEU N N 28 121.662 121.090 0.572 1
1 238 . 19 1 1 A 28 28 LEU H H 28 7.064 8.234 -1.170 1
1 239 . 19 1 1 A 28 28 LEU CA C 28 58.041 57.992 0.049 1
1 240 . 19 1 1 A 28 28 LEU HA H 28 3.807 3.783 0.024 1
1 241 . 19 1 1 A 28 28 LEU CB C 28 40.232 41.997 -1.765 1
1 254 . 19 1 1 A 28 28 LEU C C 28 177.776 178.379 -0.603 1
1 255 . 19 1 1 A 29 29 THR N N 29 116.331 114.138 2.193 1
1 256 . 19 1 1 A 29 29 THR H H 29 8.606 7.995 0.611 1
1 257 . 19 1 1 A 29 29 THR CA C 29 66.300 65.304 0.996 1
1 258 . 19 1 1 A 29 29 THR HA H 29 4.009 4.074 -0.065 1
1 259 . 19 1 1 A 29 29 THR CB C 29 68.317 68.943 -0.626 1
1 265 . 19 1 1 A 29 29 THR C C 29 177.336 176.918 0.418 1
1 266 . 19 1 1 A 30 30 GLN N N 30 119.465 120.444 -0.979 1
1 267 . 19 1 1 A 30 30 GLN H H 30 7.838 7.329 0.509 1
1 268 . 19 1 1 A 30 30 GLN CA C 30 58.851 58.686 0.165 1
1 269 . 19 1 1 A 30 30 GLN HA H 30 3.969 4.045 -0.076 1
1 270 . 19 1 1 A 30 30 GLN CB C 30 28.349 28.370 -0.021 1
1 279 . 19 1 1 A 30 30 GLN C C 30 178.722 178.167 0.555 1
1 280 . 19 1 1 A 31 31 HIS N N 31 119.993 120.714 -0.721 1
1 281 . 19 1 1 A 31 31 HIS H H 31 7.664 7.924 -0.260 1
1 282 . 19 1 1 A 31 31 HIS CA C 31 59.107 60.053 -0.946 1
1 283 . 19 1 1 A 31 31 HIS HA H 31 4.287 4.094 0.193 1
1 284 . 19 1 1 A 31 31 HIS CB C 31 28.026 29.395 -1.369 1
1 291 . 19 1 1 A 31 31 HIS C C 31 176.251 177.256 -1.005 1
1 292 . 19 1 1 A 32 32 GLN N N 32 115.117 118.373 -3.256 1
1 293 . 19 1 1 A 32 32 GLN H H 32 8.424 8.118 0.306 1
1 294 . 19 1 1 A 32 32 GLN CA C 32 59.472 58.124 1.348 1
1 295 . 19 1 1 A 32 32 GLN HA H 32 3.613 3.961 -0.348 1
1 296 . 19 1 1 A 32 32 GLN CB C 32 28.286 28.558 -0.272 1
1 305 . 19 1 1 A 32 32 GLN C C 32 177.186 177.959 -0.773 1
1 306 . 19 1 1 A 33 33 ARG N N 33 117.852 119.081 -1.229 1
1 307 . 19 1 1 A 33 33 ARG H H 33 7.105 7.630 -0.525 1
1 308 . 19 1 1 A 33 33 ARG CA C 33 58.492 58.399 0.093 1
1 309 . 19 1 1 A 33 33 ARG HA H 33 4.149 4.015 0.134 1
1 310 . 19 1 1 A 33 33 ARG CB C 33 30.080 29.977 0.103 1
1 319 . 19 1 1 A 33 33 ARG C C 33 178.535 177.477 1.058 1
1 320 . 19 1 1 A 34 34 VAL N N 34 115.844 115.770 0.074 1
1 321 . 19 1 1 A 34 34 VAL H H 34 7.971 7.059 0.912 1
1 322 . 19 1 1 A 34 34 VAL CA C 34 63.982 64.400 -0.418 1
1 323 . 19 1 1 A 34 34 VAL HA H 34 3.936 3.925 0.011 1
1 324 . 19 1 1 A 34 34 VAL CB C 34 31.159 31.833 -0.674 1
1 334 . 19 1 1 A 34 34 VAL C C 34 177.254 176.404 0.850 1
1 335 . 19 1 1 A 35 35 HIS N N 35 117.345 119.220 -1.875 1
1 336 . 19 1 1 A 35 35 HIS H H 35 7.225 7.310 -0.085 1
1 337 . 19 1 1 A 35 35 HIS CA C 35 55.058 55.453 -0.395 1
1 338 . 19 1 1 A 35 35 HIS HA H 35 4.895 4.681 0.214 1
1 339 . 19 1 1 A 35 35 HIS CB C 35 28.620 29.535 -0.915 1
1 346 . 19 1 1 A 35 35 HIS C C 35 175.716 174.535 1.181 1
1 347 . 19 1 1 A 36 36 THR N N 36 111.842 114.141 -2.299 1
1 348 . 19 1 1 A 36 36 THR H H 36 7.775 7.587 0.188 1
1 349 . 19 1 1 A 36 36 THR CA C 36 62.514 59.714 2.800 1
1 350 . 19 1 1 A 36 36 THR HA H 36 4.374 4.648 -0.274 1
1 351 . 19 1 1 A 36 36 THR CB C 36 69.853 71.498 -1.645 1
1 357 . 19 1 1 A 36 36 THR C C 36 175.509 173.195 2.314 1
1 358 . 19 1 1 A 37 37 GLY N N 37 110.650 112.342 -1.692 1
1 359 . 19 1 1 A 37 37 GLY H H 37 8.235 8.362 -0.127 1
1 360 . 19 1 1 A 37 37 GLY CA C 37 45.420 46.054 -0.634 1
1 361 . 19 1 1 A 37 37 GLY HA2 H 37 3.960 4.108 -0.148 1
1 362 . 19 1 1 A 37 37 GLY HA3 H 37 4.040 4.110 -0.070 1
1 363 . 19 1 1 A 37 37 GLY C C 37 173.979 173.173 0.806 1
1 364 . 19 1 1 A 38 38 GLU N N 38 120.601 124.048 -3.447 1
1 365 . 19 1 1 A 38 38 GLU H H 38 8.101 8.262 -0.161 1
1 366 . 19 1 1 A 38 38 GLU CA C 38 56.476 54.996 1.480 1
1 367 . 19 1 1 A 38 38 GLU HA H 38 4.255 4.441 -0.186 1
1 368 . 19 1 1 A 38 38 GLU CB C 38 30.561 29.027 1.534 1
1 374 . 19 1 1 A 38 38 GLU C C 38 176.212 175.395 0.817 1
1 375 . 19 1 1 A 39 39 LYS N N 39 123.814 121.442 2.372 1
1 376 . 19 1 1 A 39 39 LYS H H 39 8.413 7.749 0.664 1
1 377 . 19 1 1 A 39 39 LYS CA C 39 54.245 55.277 -1.032 1
1 378 . 19 1 1 A 39 39 LYS HA H 39 4.618 4.487 0.131 1
1 379 . 19 1 1 A 39 39 LYS CB C 39 32.519 32.303 0.216 1
1 391 . 19 1 1 A 39 39 LYS C C 39 174.467 175.719 -1.252 1
1 392 . 19 1 1 A 40 40 PRO CA C 40 63.219 62.329 0.890 1
1 393 . 19 1 1 A 40 40 PRO HA H 40 4.467 4.627 -0.160 1
1 394 . 19 1 1 A 40 40 PRO CB C 40 32.203 30.229 1.974 1
1 403 . 19 1 1 A 40 40 PRO C C 40 173.930 177.132 -3.202 1
1 404 . 19 1 1 A 41 41 SER N N 41 116.519 118.743 -2.224 1
1 405 . 19 1 1 A 41 41 SER H H 41 8.488 8.332 0.156 1
1 406 . 19 1 1 A 41 41 SER C C 41 178.949 176.023 2.926 1
1 407 . 19 1 1 A 42 42 GLY CA C 42 44.689 45.298 -0.609 1
1 408 . 19 1 1 A 42 42 GLY HA2 H 42 4.119 4.040 0.079 1
1 409 . 19 1 1 A 42 42 GLY HA3 H 42 4.173 4.040 0.133 1
1 410 . 19 1 1 A 43 43 PRO CA C 43 63.267 62.800 0.467 1
1 411 . 19 1 1 A 43 43 PRO HA H 43 4.485 4.770 -0.285 1
1 412 . 19 1 1 A 43 43 PRO CB C 43 32.227 32.793 -0.566 1
1 421 . 19 1 1 A 45 45 SER CA C 45 58.370 56.603 1.767 1
1 422 . 19 1 1 A 45 45 SER HA H 45 4.495 5.132 -0.637 1
1 423 . 19 1 1 A 45 45 SER CB C 45 64.018 64.815 -0.797 1
1 425 . 19 1 1 A 45 45 SER C C 45 173.890 174.508 -0.618 1
1 1 . 20 1 1 A 8 8 THR CA C 8 61.919 62.249 -0.330 1
1 2 . 20 1 1 A 8 8 THR HA H 8 4.367 4.567 -0.200 1
1 3 . 20 1 1 A 8 8 THR CB C 8 69.796 70.175 -0.379 1
1 9 . 20 1 1 A 8 8 THR C C 8 175.193 175.005 0.188 1
1 10 . 20 1 1 A 9 9 GLY N N 9 111.079 109.003 2.076 1
1 11 . 20 1 1 A 9 9 GLY H H 9 8.450 7.452 0.998 1
1 12 . 20 1 1 A 9 9 GLY CA C 9 45.243 45.591 -0.348 1
1 13 . 20 1 1 A 9 9 GLY HA2 H 9 3.956 3.988 -0.032 1
1 14 . 20 1 1 A 9 9 GLY HA3 H 9 3.956 3.989 -0.033 1
1 15 . 20 1 1 A 9 9 GLY C C 9 173.979 171.946 2.033 1
1 16 . 20 1 1 A 10 10 GLU N N 10 120.501 121.209 -0.708 1
1 17 . 20 1 1 A 10 10 GLU H H 10 8.192 8.354 -0.162 1
1 18 . 20 1 1 A 10 10 GLU CA C 10 56.560 55.416 1.144 1
1 19 . 20 1 1 A 10 10 GLU HA H 10 4.198 4.436 -0.238 1
1 20 . 20 1 1 A 10 10 GLU CB C 10 30.474 30.892 -0.418 1
1 26 . 20 1 1 A 10 10 GLU C C 10 176.188 176.554 -0.366 1
1 27 . 20 1 1 A 11 11 LYS N N 11 122.926 123.160 -0.234 1
1 28 . 20 1 1 A 11 11 LYS H H 11 8.346 8.704 -0.358 1
1 29 . 20 1 1 A 11 11 LYS CA C 11 54.399 54.632 -0.233 1
1 30 . 20 1 1 A 11 11 LYS HA H 11 4.447 4.368 0.079 1
1 31 . 20 1 1 A 11 11 LYS CB C 11 32.473 32.173 0.300 1
1 43 . 20 1 1 A 11 11 LYS C C 11 174.709 176.652 -1.943 1
1 44 . 20 1 1 A 12 12 PRO CA C 12 64.071 64.278 -0.207 1
1 45 . 20 1 1 A 12 12 PRO HA H 12 4.194 4.263 -0.069 1
1 46 . 20 1 1 A 12 12 PRO CB C 12 32.233 31.566 0.667 1
1 55 . 20 1 1 A 12 12 PRO C C 12 176.563 175.825 0.738 1
1 56 . 20 1 1 A 13 13 PHE N N 13 117.437 118.187 -0.750 1
1 57 . 20 1 1 A 13 13 PHE H H 13 7.906 7.469 0.437 1
1 58 . 20 1 1 A 13 13 PHE CA C 13 57.216 56.307 0.909 1
1 59 . 20 1 1 A 13 13 PHE HA H 13 4.733 5.336 -0.603 1
1 60 . 20 1 1 A 13 13 PHE CB C 13 38.760 42.444 -3.684 1
1 73 . 20 1 1 A 13 13 PHE C C 13 174.019 174.409 -0.390 1
1 74 . 20 1 1 A 14 14 LYS N N 14 125.906 120.685 5.221 1
1 75 . 20 1 1 A 14 14 LYS H H 14 8.558 8.792 -0.234 1
1 76 . 20 1 1 A 14 14 LYS CA C 14 55.253 55.867 -0.614 1
1 77 . 20 1 1 A 14 14 LYS HA H 14 4.753 4.747 0.006 1
1 78 . 20 1 1 A 14 14 LYS CB C 14 35.471 36.767 -1.296 1
1 90 . 20 1 1 A 14 14 LYS C C 14 175.156 174.374 0.782 1
1 91 . 20 1 1 A 15 15 CYS N N 15 128.017 124.005 4.012 1
1 92 . 20 1 1 A 15 15 CYS H H 15 9.322 8.686 0.636 1
1 93 . 20 1 1 A 15 15 CYS CA C 15 59.976 57.997 1.979 1
1 94 . 20 1 1 A 15 15 CYS HA H 15 4.451 4.864 -0.413 1
1 95 . 20 1 1 A 15 15 CYS CB C 15 29.411 29.424 -0.013 1
1 98 . 20 1 1 A 15 15 CYS C C 15 177.343 176.163 1.180 1
1 99 . 20 1 1 A 16 16 GLY N N 16 120.643 115.057 5.586 1
1 100 . 20 1 1 A 16 16 GLY H H 16 9.425 8.894 0.531 1
1 101 . 20 1 1 A 16 16 GLY CA C 16 46.692 46.628 0.064 1
1 102 . 20 1 1 A 16 16 GLY HA2 H 16 3.969 3.918 0.051 1
1 103 . 20 1 1 A 16 16 GLY HA3 H 16 4.034 3.921 0.113 1
1 104 . 20 1 1 A 16 16 GLY C C 16 174.008 174.105 -0.097 1
1 105 . 20 1 1 A 17 17 GLU N N 17 121.284 117.272 4.012 1
1 106 . 20 1 1 A 17 17 GLU H H 17 8.683 7.453 1.230 1
1 107 . 20 1 1 A 17 17 GLU CA C 17 57.922 56.939 0.983 1
1 108 . 20 1 1 A 17 17 GLU HA H 17 4.295 4.443 -0.148 1
1 109 . 20 1 1 A 17 17 GLU CB C 17 29.778 31.960 -2.182 1
1 115 . 20 1 1 A 17 17 GLU C C 17 177.066 177.717 -0.651 1
1 116 . 20 1 1 A 18 18 CYS N N 18 115.033 114.577 0.456 1
1 117 . 20 1 1 A 18 18 CYS H H 18 7.942 7.629 0.313 1
1 118 . 20 1 1 A 18 18 CYS CA C 18 58.453 59.505 -1.052 1
1 119 . 20 1 1 A 18 18 CYS HA H 18 5.187 4.676 0.511 1
1 120 . 20 1 1 A 18 18 CYS CB C 18 32.524 30.118 2.406 1
1 123 . 20 1 1 A 18 18 CYS C C 18 176.135 175.565 0.570 1
1 124 . 20 1 1 A 19 19 GLY N N 19 112.484 109.840 2.644 1
1 125 . 20 1 1 A 19 19 GLY H H 19 8.139 8.133 0.006 1
1 126 . 20 1 1 A 19 19 GLY CA C 19 46.297 45.227 1.070 1
1 127 . 20 1 1 A 19 19 GLY HA2 H 19 4.269 4.091 0.178 1
1 128 . 20 1 1 A 19 19 GLY HA3 H 19 3.800 4.105 -0.305 1
1 129 . 20 1 1 A 19 19 GLY C C 19 174.065 174.295 -0.230 1
1 130 . 20 1 1 A 20 20 LYS N N 20 123.711 119.965 3.746 1
1 131 . 20 1 1 A 20 20 LYS H H 20 8.048 7.936 0.112 1
1 132 . 20 1 1 A 20 20 LYS CA C 20 58.446 55.159 3.287 1
1 133 . 20 1 1 A 20 20 LYS HA H 20 4.045 4.331 -0.286 1
1 134 . 20 1 1 A 20 20 LYS CB C 20 33.391 32.901 0.490 1
1 146 . 20 1 1 A 20 20 LYS C C 20 174.750 175.506 -0.756 1
1 147 . 20 1 1 A 21 21 SER N N 21 114.286 121.934 -7.648 1
1 148 . 20 1 1 A 21 21 SER H H 21 7.863 8.844 -0.981 1
1 149 . 20 1 1 A 21 21 SER CA C 21 56.933 57.754 -0.821 1
1 150 . 20 1 1 A 21 21 SER HA H 21 5.398 5.340 0.058 1
1 151 . 20 1 1 A 21 21 SER CB C 21 66.461 64.656 1.805 1
1 154 . 20 1 1 A 21 21 SER C C 21 172.635 172.839 -0.204 1
1 155 . 20 1 1 A 22 22 TYR N N 22 117.528 122.917 -5.389 1
1 156 . 20 1 1 A 22 22 TYR H H 22 8.774 8.756 0.018 1
1 157 . 20 1 1 A 22 22 TYR CA C 22 58.061 56.353 1.708 1
1 158 . 20 1 1 A 22 22 TYR HA H 22 4.750 4.965 -0.215 1
1 159 . 20 1 1 A 22 22 TYR CB C 22 44.125 42.651 1.474 1
1 170 . 20 1 1 A 22 22 TYR C C 22 174.955 176.178 -1.223 1
1 171 . 20 1 1 A 23 23 ASN N N 23 118.657 119.790 -1.133 1
1 172 . 20 1 1 A 23 23 ASN H H 23 9.444 9.220 0.224 1
1 173 . 20 1 1 A 23 23 ASN CA C 23 54.765 55.079 -0.314 1
1 174 . 20 1 1 A 23 23 ASN HA H 23 5.029 4.659 0.370 1
1 175 . 20 1 1 A 23 23 ASN CB C 23 40.282 38.565 1.717 1
1 181 . 20 1 1 A 23 23 ASN C C 23 175.004 175.501 -0.497 1
1 182 . 20 1 1 A 24 24 GLN N N 24 114.619 119.064 -4.445 1
1 183 . 20 1 1 A 24 24 GLN H H 24 7.579 8.222 -0.643 1
1 184 . 20 1 1 A 24 24 GLN CA C 24 54.151 54.898 -0.747 1
1 185 . 20 1 1 A 24 24 GLN HA H 24 4.692 5.072 -0.380 1
1 186 . 20 1 1 A 24 24 GLN CB C 24 31.829 31.244 0.585 1
1 195 . 20 1 1 A 24 24 GLN C C 24 175.731 176.108 -0.377 1
1 196 . 20 1 1 A 25 25 ARG N N 25 127.274 123.786 3.488 1
1 197 . 20 1 1 A 25 25 ARG H H 25 8.350 8.565 -0.215 1
1 198 . 20 1 1 A 25 25 ARG CA C 25 59.687 57.625 2.062 1
1 199 . 20 1 1 A 25 25 ARG HA H 25 2.879 3.424 -0.545 1
1 200 . 20 1 1 A 25 25 ARG CB C 25 29.082 28.743 0.339 1
1 209 . 20 1 1 A 25 25 ARG C C 25 178.363 178.114 0.249 1
1 210 . 20 1 1 A 26 26 VAL N N 26 115.093 119.800 -4.707 1
1 211 . 20 1 1 A 26 26 VAL H H 26 8.274 7.781 0.493 1
1 212 . 20 1 1 A 26 26 VAL CA C 26 64.611 64.875 -0.264 1
1 213 . 20 1 1 A 26 26 VAL HA H 26 3.908 3.713 0.195 1
1 214 . 20 1 1 A 26 26 VAL CB C 26 31.070 31.573 -0.503 1
1 224 . 20 1 1 A 26 26 VAL C C 26 176.893 177.275 -0.382 1
1 225 . 20 1 1 A 27 27 HIS N N 27 119.161 118.789 0.372 1
1 226 . 20 1 1 A 27 27 HIS H H 27 6.525 7.701 -1.176 1
1 227 . 20 1 1 A 27 27 HIS CA C 27 57.177 59.648 -2.471 1
1 228 . 20 1 1 A 27 27 HIS HA H 27 4.387 4.260 0.127 1
1 229 . 20 1 1 A 27 27 HIS CB C 27 31.423 30.173 1.250 1
1 236 . 20 1 1 A 27 27 HIS C C 27 178.508 177.370 1.138 1
1 237 . 20 1 1 A 28 28 LEU N N 28 121.662 121.243 0.419 1
1 238 . 20 1 1 A 28 28 LEU H H 28 7.064 7.621 -0.557 1
1 239 . 20 1 1 A 28 28 LEU CA C 28 58.041 57.715 0.326 1
1 240 . 20 1 1 A 28 28 LEU HA H 28 3.807 3.602 0.205 1
1 241 . 20 1 1 A 28 28 LEU CB C 28 40.232 41.788 -1.556 1
1 254 . 20 1 1 A 28 28 LEU C C 28 177.776 178.098 -0.322 1
1 255 . 20 1 1 A 29 29 THR N N 29 116.331 114.082 2.249 1
1 256 . 20 1 1 A 29 29 THR H H 29 8.606 7.898 0.708 1
1 257 . 20 1 1 A 29 29 THR CA C 29 66.300 65.243 1.057 1
1 258 . 20 1 1 A 29 29 THR HA H 29 4.009 3.756 0.253 1
1 259 . 20 1 1 A 29 29 THR CB C 29 68.317 68.930 -0.613 1
1 265 . 20 1 1 A 29 29 THR C C 29 177.336 176.720 0.616 1
1 266 . 20 1 1 A 30 30 GLN N N 30 119.465 120.230 -0.765 1
1 267 . 20 1 1 A 30 30 GLN H H 30 7.838 7.687 0.151 1
1 268 . 20 1 1 A 30 30 GLN CA C 30 58.851 58.491 0.360 1
1 269 . 20 1 1 A 30 30 GLN HA H 30 3.969 4.030 -0.061 1
1 270 . 20 1 1 A 30 30 GLN CB C 30 28.349 28.680 -0.331 1
1 279 . 20 1 1 A 30 30 GLN C C 30 178.722 178.305 0.417 1
1 280 . 20 1 1 A 31 31 HIS N N 31 119.993 121.354 -1.361 1
1 281 . 20 1 1 A 31 31 HIS H H 31 7.664 7.986 -0.322 1
1 282 . 20 1 1 A 31 31 HIS CA C 31 59.107 59.276 -0.169 1
1 283 . 20 1 1 A 31 31 HIS HA H 31 4.287 4.166 0.121 1
1 284 . 20 1 1 A 31 31 HIS CB C 31 28.026 29.654 -1.628 1
1 291 . 20 1 1 A 31 31 HIS C C 31 176.251 177.312 -1.061 1
1 292 . 20 1 1 A 32 32 GLN N N 32 115.117 118.384 -3.267 1
1 293 . 20 1 1 A 32 32 GLN H H 32 8.424 8.080 0.344 1
1 294 . 20 1 1 A 32 32 GLN CA C 32 59.472 58.307 1.165 1
1 295 . 20 1 1 A 32 32 GLN HA H 32 3.613 3.658 -0.045 1
1 296 . 20 1 1 A 32 32 GLN CB C 32 28.286 28.107 0.179 1
1 305 . 20 1 1 A 32 32 GLN C C 32 177.186 178.288 -1.102 1
1 306 . 20 1 1 A 33 33 ARG N N 33 117.852 119.423 -1.571 1
1 307 . 20 1 1 A 33 33 ARG H H 33 7.105 7.809 -0.704 1
1 308 . 20 1 1 A 33 33 ARG CA C 33 58.492 58.566 -0.074 1
1 309 . 20 1 1 A 33 33 ARG HA H 33 4.149 3.996 0.153 1
1 310 . 20 1 1 A 33 33 ARG CB C 33 30.080 29.843 0.237 1
1 319 . 20 1 1 A 33 33 ARG C C 33 178.535 178.822 -0.287 1
1 320 . 20 1 1 A 34 34 VAL N N 34 115.844 116.747 -0.903 1
1 321 . 20 1 1 A 34 34 VAL H H 34 7.971 7.509 0.462 1
1 322 . 20 1 1 A 34 34 VAL CA C 34 63.982 65.147 -1.165 1
1 323 . 20 1 1 A 34 34 VAL HA H 34 3.936 3.700 0.236 1
1 324 . 20 1 1 A 34 34 VAL CB C 34 31.159 31.119 0.040 1
1 334 . 20 1 1 A 34 34 VAL C C 34 177.254 177.372 -0.118 1
1 335 . 20 1 1 A 35 35 HIS N N 35 117.345 119.615 -2.270 1
1 336 . 20 1 1 A 35 35 HIS H H 35 7.225 7.119 0.106 1
1 337 . 20 1 1 A 35 35 HIS CA C 35 55.058 57.753 -2.695 1
1 338 . 20 1 1 A 35 35 HIS HA H 35 4.895 4.438 0.457 1
1 339 . 20 1 1 A 35 35 HIS CB C 35 28.620 30.548 -1.928 1
1 346 . 20 1 1 A 35 35 HIS C C 35 175.716 174.868 0.848 1
1 347 . 20 1 1 A 36 36 THR N N 36 111.842 113.568 -1.726 1
1 348 . 20 1 1 A 36 36 THR H H 36 7.775 7.440 0.335 1
1 349 . 20 1 1 A 36 36 THR CA C 36 62.514 59.631 2.883 1
1 350 . 20 1 1 A 36 36 THR HA H 36 4.374 4.627 -0.253 1
1 351 . 20 1 1 A 36 36 THR CB C 36 69.853 71.648 -1.795 1
1 357 . 20 1 1 A 36 36 THR C C 36 175.509 174.959 0.550 1
1 358 . 20 1 1 A 37 37 GLY N N 37 110.650 115.625 -4.975 1
1 359 . 20 1 1 A 37 37 GLY H H 37 8.235 8.768 -0.533 1
1 360 . 20 1 1 A 37 37 GLY CA C 37 45.420 45.161 0.259 1
1 361 . 20 1 1 A 37 37 GLY HA2 H 37 3.960 3.966 -0.006 1
1 362 . 20 1 1 A 37 37 GLY HA3 H 37 4.040 3.967 0.073 1
1 363 . 20 1 1 A 37 37 GLY C C 37 173.979 174.820 -0.841 1
1 364 . 20 1 1 A 38 38 GLU N N 38 120.601 120.208 0.393 1
1 365 . 20 1 1 A 38 38 GLU H H 38 8.101 7.828 0.273 1
1 366 . 20 1 1 A 38 38 GLU CA C 38 56.476 57.386 -0.910 1
1 367 . 20 1 1 A 38 38 GLU HA H 38 4.255 4.254 0.001 1
1 368 . 20 1 1 A 38 38 GLU CB C 38 30.561 30.141 0.420 1
1 374 . 20 1 1 A 38 38 GLU C C 38 176.212 175.888 0.324 1
1 375 . 20 1 1 A 39 39 LYS N N 39 123.814 124.661 -0.847 1
1 376 . 20 1 1 A 39 39 LYS H H 39 8.413 8.582 -0.169 1
1 377 . 20 1 1 A 39 39 LYS CA C 39 54.245 52.963 1.282 1
1 378 . 20 1 1 A 39 39 LYS HA H 39 4.618 4.830 -0.212 1
1 379 . 20 1 1 A 39 39 LYS CB C 39 32.519 36.417 -3.898 1
1 391 . 20 1 1 A 39 39 LYS C C 39 174.467 174.294 0.173 1
1 392 . 20 1 1 A 40 40 PRO CA C 40 63.219 62.774 0.445 1
1 393 . 20 1 1 A 40 40 PRO HA H 40 4.467 4.450 0.017 1
1 394 . 20 1 1 A 40 40 PRO CB C 40 32.203 32.308 -0.105 1
1 403 . 20 1 1 A 40 40 PRO C C 40 173.930 176.365 -2.435 1
1 404 . 20 1 1 A 41 41 SER N N 41 116.519 117.512 -0.993 1
1 405 . 20 1 1 A 41 41 SER H H 41 8.488 8.462 0.026 1
1 406 . 20 1 1 A 41 41 SER C C 41 178.949 174.321 4.628 1
1 407 . 20 1 1 A 42 42 GLY CA C 42 44.689 45.196 -0.507 1
1 408 . 20 1 1 A 42 42 GLY HA2 H 42 4.119 4.181 -0.062 1
1 409 . 20 1 1 A 42 42 GLY HA3 H 42 4.173 4.181 -0.008 1
1 410 . 20 1 1 A 43 43 PRO CA C 43 63.267 64.963 -1.696 1
1 411 . 20 1 1 A 43 43 PRO HA H 43 4.485 4.407 0.078 1
1 412 . 20 1 1 A 43 43 PRO CB C 43 32.227 31.959 0.268 1
1 421 . 20 1 1 A 45 45 SER CA C 45 58.370 59.597 -1.227 1
1 422 . 20 1 1 A 45 45 SER HA H 45 4.495 4.614 -0.119 1
1 423 . 20 1 1 A 45 45 SER CB C 45 64.018 65.636 -1.618 1
1 425 . 20 1 1 A 45 45 SER C C 45 173.890 174.959 -1.069 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 35 1.384 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.169 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.664 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.563 1
5 1 1 1 "RMS(OBS, PRED)" HA 41 0.283 1
6 1 1 1 "RMS(OBS, PRED)" N 31 3.226 1
7 1 2 1 "RMS(OBS, PRED)" C 35 1.378 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.186 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.452 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.523 1
11 1 2 1 "RMS(OBS, PRED)" HA 41 0.295 1
12 1 2 1 "RMS(OBS, PRED)" N 31 3.316 1
13 1 3 1 "RMS(OBS, PRED)" C 35 1.214 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.307 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.423 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.602 1
17 1 3 1 "RMS(OBS, PRED)" HA 41 0.287 1
18 1 3 1 "RMS(OBS, PRED)" N 31 3.264 1
19 1 4 1 "RMS(OBS, PRED)" C 35 1.362 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.318 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.689 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.528 1
23 1 4 1 "RMS(OBS, PRED)" HA 41 0.280 1
24 1 4 1 "RMS(OBS, PRED)" N 31 3.282 1
25 1 5 1 "RMS(OBS, PRED)" C 35 1.304 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.247 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.396 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.604 1
29 1 5 1 "RMS(OBS, PRED)" HA 41 0.259 1
30 1 5 1 "RMS(OBS, PRED)" N 31 3.264 1
31 1 6 1 "RMS(OBS, PRED)" C 35 1.290 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.405 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.456 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.554 1
35 1 6 1 "RMS(OBS, PRED)" HA 41 0.296 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.964 1
37 1 7 1 "RMS(OBS, PRED)" C 35 1.331 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.297 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.683 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.557 1
41 1 7 1 "RMS(OBS, PRED)" HA 41 0.281 1
42 1 7 1 "RMS(OBS, PRED)" N 31 3.154 1
43 1 8 1 "RMS(OBS, PRED)" C 35 1.410 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.306 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.643 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.608 1
47 1 8 1 "RMS(OBS, PRED)" HA 41 0.262 1
48 1 8 1 "RMS(OBS, PRED)" N 31 3.393 1
49 1 9 1 "RMS(OBS, PRED)" C 35 1.472 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.481 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.609 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.545 1
53 1 9 1 "RMS(OBS, PRED)" HA 41 0.305 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.786 1
55 1 10 1 "RMS(OBS, PRED)" C 35 1.384 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.533 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.352 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.548 1
59 1 10 1 "RMS(OBS, PRED)" HA 41 0.288 1
60 1 10 1 "RMS(OBS, PRED)" N 31 3.074 1
61 1 11 1 "RMS(OBS, PRED)" C 35 1.296 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.262 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.394 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.526 1
65 1 11 1 "RMS(OBS, PRED)" HA 41 0.283 1
66 1 11 1 "RMS(OBS, PRED)" N 31 2.899 1
67 1 12 1 "RMS(OBS, PRED)" C 35 1.253 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.325 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.372 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.563 1
71 1 12 1 "RMS(OBS, PRED)" HA 41 0.263 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.763 1
73 1 13 1 "RMS(OBS, PRED)" C 35 1.467 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.218 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.445 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.545 1
77 1 13 1 "RMS(OBS, PRED)" HA 41 0.274 1
78 1 13 1 "RMS(OBS, PRED)" N 31 3.553 1
79 1 14 1 "RMS(OBS, PRED)" C 35 1.357 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.541 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.796 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.586 1
83 1 14 1 "RMS(OBS, PRED)" HA 41 0.293 1
84 1 14 1 "RMS(OBS, PRED)" N 31 3.065 1
85 1 15 1 "RMS(OBS, PRED)" C 35 1.181 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.371 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.442 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.481 1
89 1 15 1 "RMS(OBS, PRED)" HA 41 0.296 1
90 1 15 1 "RMS(OBS, PRED)" N 31 3.135 1
91 1 16 1 "RMS(OBS, PRED)" C 35 1.308 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.123 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.469 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.508 1
95 1 16 1 "RMS(OBS, PRED)" HA 41 0.242 1
96 1 16 1 "RMS(OBS, PRED)" N 31 3.146 1
97 1 17 1 "RMS(OBS, PRED)" C 35 1.099 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.181 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.161 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.551 1
101 1 17 1 "RMS(OBS, PRED)" HA 41 0.255 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.723 1
103 1 18 1 "RMS(OBS, PRED)" C 35 1.463 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.147 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.647 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.539 1
107 1 18 1 "RMS(OBS, PRED)" HA 41 0.249 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.994 1
109 1 19 1 "RMS(OBS, PRED)" C 35 1.287 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.345 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.518 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.613 1
113 1 19 1 "RMS(OBS, PRED)" HA 41 0.302 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.882 1
115 1 20 1 "RMS(OBS, PRED)" C 35 1.201 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.336 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.508 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.550 1
119 1 20 1 "RMS(OBS, PRED)" HA 41 0.244 1
120 1 20 1 "RMS(OBS, PRED)" N 31 3.249 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 8 8 THR CA C 8 61.919 62.755 -0.836 2
1 2 . 1 1 A 8 8 THR HA H 8 4.367 4.419 -0.052 2
1 3 . 1 1 A 8 8 THR CB C 8 69.796 69.418 0.378 2
1 9 . 1 1 A 8 8 THR C C 8 175.193 174.738 0.455 2
1 10 . 1 1 A 9 9 GLY N N 9 111.079 110.957 0.122 2
1 11 . 1 1 A 9 9 GLY H H 9 8.450 8.086 0.364 2
1 12 . 1 1 A 9 9 GLY CA C 9 45.243 45.558 -0.315 2
1 13 . 1 1 A 9 9 GLY HA2 H 9 3.956 4.038 -0.082 2
1 14 . 1 1 A 9 9 GLY HA3 H 9 3.956 4.040 -0.084 2
1 15 . 1 1 A 9 9 GLY C C 9 173.979 173.084 0.895 2
1 16 . 1 1 A 10 10 GLU N N 10 120.501 120.594 -0.093 2
1 17 . 1 1 A 10 10 GLU H H 10 8.192 8.425 -0.233 2
1 18 . 1 1 A 10 10 GLU CA C 10 56.560 55.771 0.789 2
1 19 . 1 1 A 10 10 GLU HA H 10 4.198 4.567 -0.369 2
1 20 . 1 1 A 10 10 GLU CB C 10 30.474 30.881 -0.407 2
1 26 . 1 1 A 10 10 GLU C C 10 176.188 175.559 0.629 2
1 27 . 1 1 A 11 11 LYS N N 11 122.926 123.148 -0.222 2
1 28 . 1 1 A 11 11 LYS H H 11 8.346 8.346 0.000 2
1 29 . 1 1 A 11 11 LYS CA C 11 54.399 53.742 0.657 2
1 30 . 1 1 A 11 11 LYS HA H 11 4.447 4.531 -0.084 2
1 31 . 1 1 A 11 11 LYS CB C 11 32.473 32.655 -0.182 2
1 43 . 1 1 A 11 11 LYS C C 11 174.709 176.303 -1.594 2
1 44 . 1 1 A 12 12 PRO CA C 12 64.071 64.086 -0.015 2
1 45 . 1 1 A 12 12 PRO HA H 12 4.194 4.266 -0.072 2
1 46 . 1 1 A 12 12 PRO CB C 12 32.233 31.328 0.905 2
1 55 . 1 1 A 12 12 PRO C C 12 176.563 175.775 0.788 2
1 56 . 1 1 A 13 13 PHE N N 13 117.437 118.286 -0.849 2
1 57 . 1 1 A 13 13 PHE H H 13 7.906 7.330 0.576 2
1 58 . 1 1 A 13 13 PHE CA C 13 57.216 56.481 0.735 2
1 59 . 1 1 A 13 13 PHE HA H 13 4.733 5.309 -0.576 2
1 60 . 1 1 A 13 13 PHE CB C 13 38.760 42.737 -3.977 2
1 73 . 1 1 A 13 13 PHE C C 13 174.019 174.390 -0.371 2
1 74 . 1 1 A 14 14 LYS N N 14 125.906 121.502 4.404 2
1 75 . 1 1 A 14 14 LYS H H 14 8.558 8.765 -0.207 2
1 76 . 1 1 A 14 14 LYS CA C 14 55.253 55.788 -0.535 2
1 77 . 1 1 A 14 14 LYS HA H 14 4.753 4.807 -0.054 2
1 78 . 1 1 A 14 14 LYS CB C 14 35.471 36.574 -1.103 2
1 90 . 1 1 A 14 14 LYS C C 14 175.156 174.411 0.745 2
1 91 . 1 1 A 15 15 CYS N N 15 128.017 124.203 3.815 2
1 92 . 1 1 A 15 15 CYS H H 15 9.322 9.012 0.310 2
1 93 . 1 1 A 15 15 CYS CA C 15 59.976 58.355 1.621 2
1 94 . 1 1 A 15 15 CYS HA H 15 4.451 4.785 -0.334 2
1 95 . 1 1 A 15 15 CYS CB C 15 29.411 28.711 0.700 2
1 98 . 1 1 A 15 15 CYS C C 15 177.343 176.226 1.117 2
1 99 . 1 1 A 16 16 GLY N N 16 120.643 114.801 5.842 2
1 100 . 1 1 A 16 16 GLY H H 16 9.425 8.806 0.619 2
1 101 . 1 1 A 16 16 GLY CA C 16 46.692 46.548 0.144 2
1 102 . 1 1 A 16 16 GLY HA2 H 16 3.969 3.900 0.069 2
1 103 . 1 1 A 16 16 GLY HA3 H 16 4.034 3.903 0.131 2
1 104 . 1 1 A 16 16 GLY C C 16 174.008 174.498 -0.490 2
1 105 . 1 1 A 17 17 GLU N N 17 121.284 118.371 2.913 2
1 106 . 1 1 A 17 17 GLU H H 17 8.683 7.741 0.942 2
1 107 . 1 1 A 17 17 GLU CA C 17 57.922 57.629 0.293 2
1 108 . 1 1 A 17 17 GLU HA H 17 4.295 4.291 0.004 2
1 109 . 1 1 A 17 17 GLU CB C 17 29.778 31.020 -1.242 2
1 115 . 1 1 A 17 17 GLU C C 17 177.066 177.756 -0.690 2
1 116 . 1 1 A 18 18 CYS N N 18 115.033 114.688 0.345 2
1 117 . 1 1 A 18 18 CYS H H 18 7.942 7.604 0.338 2
1 118 . 1 1 A 18 18 CYS CA C 18 58.453 59.475 -1.022 2
1 119 . 1 1 A 18 18 CYS HA H 18 5.187 4.636 0.551 2
1 120 . 1 1 A 18 18 CYS CB C 18 32.524 30.016 2.508 2
1 123 . 1 1 A 18 18 CYS C C 18 176.135 175.468 0.667 2
1 124 . 1 1 A 19 19 GLY N N 19 112.484 109.982 2.502 2
1 125 . 1 1 A 19 19 GLY H H 19 8.139 8.131 0.008 2
1 126 . 1 1 A 19 19 GLY CA C 19 46.297 45.294 1.002 2
1 127 . 1 1 A 19 19 GLY HA2 H 19 4.269 4.079 0.190 2
1 128 . 1 1 A 19 19 GLY HA3 H 19 3.800 4.090 -0.290 2
1 129 . 1 1 A 19 19 GLY C C 19 174.065 174.214 -0.149 2
1 130 . 1 1 A 20 20 LYS N N 20 123.711 120.014 3.697 2
1 131 . 1 1 A 20 20 LYS H H 20 8.048 7.864 0.184 2
1 132 . 1 1 A 20 20 LYS CA C 20 58.446 55.030 3.416 2
1 133 . 1 1 A 20 20 LYS HA H 20 4.045 4.434 -0.389 2
1 134 . 1 1 A 20 20 LYS CB C 20 33.391 33.911 -0.520 2
1 146 . 1 1 A 20 20 LYS C C 20 174.750 175.414 -0.664 2
1 147 . 1 1 A 21 21 SER N N 21 114.286 118.568 -4.282 2
1 148 . 1 1 A 21 21 SER H H 21 7.863 8.669 -0.806 2
1 149 . 1 1 A 21 21 SER CA C 21 56.933 56.537 0.396 2
1 150 . 1 1 A 21 21 SER HA H 21 5.398 5.419 -0.021 2
1 151 . 1 1 A 21 21 SER CB C 21 66.461 65.631 0.830 2
1 154 . 1 1 A 21 21 SER C C 21 172.635 173.210 -0.575 2
1 155 . 1 1 A 22 22 TYR N N 22 117.528 119.189 -1.661 2
1 156 . 1 1 A 22 22 TYR H H 22 8.774 8.462 0.312 2
1 157 . 1 1 A 22 22 TYR CA C 22 58.061 56.596 1.465 2
1 158 . 1 1 A 22 22 TYR HA H 22 4.750 5.007 -0.257 2
1 159 . 1 1 A 22 22 TYR CB C 22 44.125 42.477 1.648 2
1 170 . 1 1 A 22 22 TYR C C 22 174.955 176.074 -1.119 2
1 171 . 1 1 A 23 23 ASN N N 23 118.657 121.159 -2.502 2
1 172 . 1 1 A 23 23 ASN H H 23 9.444 9.006 0.438 2
1 173 . 1 1 A 23 23 ASN CA C 23 54.765 55.688 -0.923 2
1 174 . 1 1 A 23 23 ASN HA H 23 5.029 4.630 0.399 2
1 175 . 1 1 A 23 23 ASN CB C 23 40.282 38.900 1.382 2
1 181 . 1 1 A 23 23 ASN C C 23 175.004 175.640 -0.636 2
1 182 . 1 1 A 24 24 GLN N N 24 114.619 117.877 -3.258 2
1 183 . 1 1 A 24 24 GLN H H 24 7.579 8.055 -0.476 2
1 184 . 1 1 A 24 24 GLN CA C 24 54.151 54.714 -0.563 2
1 185 . 1 1 A 24 24 GLN HA H 24 4.692 4.941 -0.249 2
1 186 . 1 1 A 24 24 GLN CB C 24 31.829 30.810 1.019 2
1 195 . 1 1 A 24 24 GLN C C 24 175.731 176.282 -0.551 2
1 196 . 1 1 A 25 25 ARG N N 25 127.274 122.719 4.555 2
1 197 . 1 1 A 25 25 ARG H H 25 8.350 8.771 -0.421 2
1 198 . 1 1 A 25 25 ARG CA C 25 59.687 58.290 1.397 2
1 199 . 1 1 A 25 25 ARG HA H 25 2.879 3.221 -0.342 2
1 200 . 1 1 A 25 25 ARG CB C 25 29.082 29.432 -0.350 2
1 209 . 1 1 A 25 25 ARG C C 25 178.363 177.954 0.409 2
1 210 . 1 1 A 26 26 VAL N N 26 115.093 119.076 -3.983 2
1 211 . 1 1 A 26 26 VAL H H 26 8.274 7.955 0.319 2
1 212 . 1 1 A 26 26 VAL CA C 26 64.611 64.618 -0.007 2
1 213 . 1 1 A 26 26 VAL HA H 26 3.908 3.735 0.173 2
1 214 . 1 1 A 26 26 VAL CB C 26 31.070 31.397 -0.327 2
1 224 . 1 1 A 26 26 VAL C C 26 176.893 177.089 -0.196 2
1 225 . 1 1 A 27 27 HIS N N 27 119.161 118.779 0.382 2
1 226 . 1 1 A 27 27 HIS H H 27 6.525 7.693 -1.168 2
1 227 . 1 1 A 27 27 HIS CA C 27 57.177 59.543 -2.366 2
1 228 . 1 1 A 27 27 HIS HA H 27 4.387 4.281 0.106 2
1 229 . 1 1 A 27 27 HIS CB C 27 31.423 30.351 1.072 2
1 236 . 1 1 A 27 27 HIS C C 27 178.508 177.307 1.201 2
1 237 . 1 1 A 28 28 LEU N N 28 121.662 121.312 0.350 2
1 238 . 1 1 A 28 28 LEU H H 28 7.064 7.937 -0.873 2
1 239 . 1 1 A 28 28 LEU CA C 28 58.041 57.737 0.304 2
1 240 . 1 1 A 28 28 LEU HA H 28 3.807 3.652 0.155 2
1 241 . 1 1 A 28 28 LEU CB C 28 40.232 41.900 -1.668 2
1 254 . 1 1 A 28 28 LEU C C 28 177.776 178.145 -0.369 2
1 255 . 1 1 A 29 29 THR N N 29 116.331 114.066 2.265 2
1 256 . 1 1 A 29 29 THR H H 29 8.606 8.031 0.575 2
1 257 . 1 1 A 29 29 THR CA C 29 66.300 65.400 0.900 2
1 258 . 1 1 A 29 29 THR HA H 29 4.009 3.860 0.149 2
1 259 . 1 1 A 29 29 THR CB C 29 68.317 68.914 -0.597 2
1 265 . 1 1 A 29 29 THR C C 29 177.336 176.690 0.646 2
1 266 . 1 1 A 30 30 GLN N N 30 119.465 120.319 -0.854 2
1 267 . 1 1 A 30 30 GLN H H 30 7.838 7.641 0.197 2
1 268 . 1 1 A 30 30 GLN CA C 30 58.851 58.529 0.322 2
1 269 . 1 1 A 30 30 GLN HA H 30 3.969 4.068 -0.099 2
1 270 . 1 1 A 30 30 GLN CB C 30 28.349 28.454 -0.105 2
1 279 . 1 1 A 30 30 GLN C C 30 178.722 178.104 0.618 2
1 280 . 1 1 A 31 31 HIS N N 31 119.993 120.921 -0.928 2
1 281 . 1 1 A 31 31 HIS H H 31 7.664 8.027 -0.363 2
1 282 . 1 1 A 31 31 HIS CA C 31 59.107 59.525 -0.418 2
1 283 . 1 1 A 31 31 HIS HA H 31 4.287 4.144 0.143 2
1 284 . 1 1 A 31 31 HIS CB C 31 28.026 29.647 -1.621 2
1 291 . 1 1 A 31 31 HIS C C 31 176.251 177.276 -1.025 2
1 292 . 1 1 A 32 32 GLN N N 32 115.117 118.151 -3.034 2
1 293 . 1 1 A 32 32 GLN H H 32 8.424 8.242 0.182 2
1 294 . 1 1 A 32 32 GLN CA C 32 59.472 58.664 0.808 2
1 295 . 1 1 A 32 32 GLN HA H 32 3.613 3.762 -0.149 2
1 296 . 1 1 A 32 32 GLN CB C 32 28.286 28.341 -0.055 2
1 305 . 1 1 A 32 32 GLN C C 32 177.186 178.377 -1.191 2
1 306 . 1 1 A 33 33 ARG N N 33 117.852 119.723 -1.871 2
1 307 . 1 1 A 33 33 ARG H H 33 7.105 7.842 -0.737 2
1 308 . 1 1 A 33 33 ARG CA C 33 58.492 58.681 -0.189 2
1 309 . 1 1 A 33 33 ARG HA H 33 4.149 4.111 0.038 2
1 310 . 1 1 A 33 33 ARG CB C 33 30.080 29.867 0.213 2
1 319 . 1 1 A 33 33 ARG C C 33 178.535 178.467 0.068 2
1 320 . 1 1 A 34 34 VAL N N 34 115.844 116.775 -0.931 2
1 321 . 1 1 A 34 34 VAL H H 34 7.971 7.460 0.511 2
1 322 . 1 1 A 34 34 VAL CA C 34 63.982 64.969 -0.987 2
1 323 . 1 1 A 34 34 VAL HA H 34 3.936 3.764 0.172 2
1 324 . 1 1 A 34 34 VAL CB C 34 31.159 31.145 0.014 2
1 334 . 1 1 A 34 34 VAL C C 34 177.254 176.974 0.280 2
1 335 . 1 1 A 35 35 HIS N N 35 117.345 119.473 -2.128 2
1 336 . 1 1 A 35 35 HIS H H 35 7.225 7.501 -0.276 2
1 337 . 1 1 A 35 35 HIS CA C 35 55.058 57.173 -2.115 2
1 338 . 1 1 A 35 35 HIS HA H 35 4.895 4.538 0.357 2
1 339 . 1 1 A 35 35 HIS CB C 35 28.620 30.574 -1.954 2
1 346 . 1 1 A 35 35 HIS C C 35 175.716 175.449 0.267 2
1 347 . 1 1 A 36 36 THR N N 36 111.842 110.885 0.956 2
1 348 . 1 1 A 36 36 THR H H 36 7.775 7.631 0.144 2
1 349 . 1 1 A 36 36 THR CA C 36 62.514 61.517 0.997 2
1 350 . 1 1 A 36 36 THR HA H 36 4.374 4.420 -0.046 2
1 351 . 1 1 A 36 36 THR CB C 36 69.853 69.974 -0.121 2
1 357 . 1 1 A 36 36 THR C C 36 175.509 174.334 1.175 2
1 358 . 1 1 A 37 37 GLY N N 37 110.650 111.994 -1.344 2
1 359 . 1 1 A 37 37 GLY H H 37 8.235 8.489 -0.254 2
1 360 . 1 1 A 37 37 GLY CA C 37 45.420 45.848 -0.428 2
1 361 . 1 1 A 37 37 GLY HA2 H 37 3.960 3.991 -0.031 2
1 362 . 1 1 A 37 37 GLY HA3 H 37 4.040 3.997 0.043 2
1 363 . 1 1 A 37 37 GLY C C 37 173.979 173.958 0.021 2
1 364 . 1 1 A 38 38 GLU N N 38 120.601 120.758 -0.157 2
1 365 . 1 1 A 38 38 GLU H H 38 8.101 8.248 -0.147 2
1 366 . 1 1 A 38 38 GLU CA C 38 56.476 56.103 0.373 2
1 367 . 1 1 A 38 38 GLU HA H 38 4.255 4.482 -0.227 2
1 368 . 1 1 A 38 38 GLU CB C 38 30.561 30.523 0.038 2
1 374 . 1 1 A 38 38 GLU C C 38 176.212 175.581 0.631 2
1 375 . 1 1 A 39 39 LYS N N 39 123.814 122.153 1.661 2
1 376 . 1 1 A 39 39 LYS H H 39 8.413 8.218 0.195 2
1 377 . 1 1 A 39 39 LYS CA C 39 54.245 54.212 0.033 2
1 378 . 1 1 A 39 39 LYS HA H 39 4.618 4.601 0.017 2
1 379 . 1 1 A 39 39 LYS CB C 39 32.519 33.872 -1.353 2
1 391 . 1 1 A 39 39 LYS C C 39 174.467 175.334 -0.867 2
1 392 . 1 1 A 40 40 PRO CA C 40 63.219 63.465 -0.246 2
1 393 . 1 1 A 40 40 PRO HA H 40 4.467 4.529 -0.062 2
1 394 . 1 1 A 40 40 PRO CB C 40 32.203 31.898 0.305 2
1 403 . 1 1 A 40 40 PRO C C 40 173.930 176.696 -2.766 2
1 404 . 1 1 A 41 41 SER N N 41 116.519 115.633 0.886 2
1 405 . 1 1 A 41 41 SER H H 41 8.488 8.246 0.242 2
1 406 . 1 1 A 41 41 SER C C 41 178.949 174.194 4.755 2
1 407 . 1 1 A 42 42 GLY CA C 42 44.689 44.975 -0.286 2
1 408 . 1 1 A 42 42 GLY HA2 H 42 4.119 4.127 -0.008 2
1 409 . 1 1 A 42 42 GLY HA3 H 42 4.173 4.127 0.046 2
1 410 . 1 1 A 43 43 PRO CA C 43 63.267 63.370 -0.103 2
1 411 . 1 1 A 43 43 PRO HA H 43 4.485 4.565 -0.080 2
1 412 . 1 1 A 43 43 PRO CB C 43 32.227 31.743 0.484 2
1 421 . 1 1 A 45 45 SER CA C 45 58.370 58.789 -0.419 2
1 422 . 1 1 A 45 45 SER HA H 45 4.495 4.610 -0.115 2
1 423 . 1 1 A 45 45 SER CB C 45 64.018 64.053 -0.035 2
1 425 . 1 1 A 45 45 SER C C 45 173.890 174.823 -0.933 2
stop_
save_