data_16620_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16620
_Entry.PDB_ID 2KR1
_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 20 20 LYS HA H 2 4.205 4.198 0.007 1
1 8 . 1 1 1 A 20 20 LYS C C 2 176.538 175.710 0.828 1
1 9 . 1 1 1 A 20 20 LYS CA C 2 56.364 56.733 -0.369 1
1 10 . 1 1 1 A 20 20 LYS CB C 2 30.708 32.524 -1.816 1
1 13 . 1 1 1 A 21 21 ARG H H 3 8.541 8.710 -0.169 1
1 14 . 1 1 1 A 21 21 ARG N N 3 120.785 127.764 -6.979 1
1 15 . 1 1 1 A 22 22 ALA HA H 4 4.082 3.916 0.166 1
1 19 . 1 1 1 A 22 22 ALA CA C 4 54.047 54.993 -0.946 1
1 20 . 1 1 1 A 22 22 ALA CB C 4 18.824 18.236 0.588 1
1 21 . 1 1 1 A 23 23 ALA HA H 5 4.177 4.160 0.017 1
1 25 . 1 1 1 A 23 23 ALA C C 5 178.940 179.312 -0.372 1
1 26 . 1 1 1 A 23 23 ALA CA C 5 53.798 55.300 -1.502 1
1 27 . 1 1 1 A 23 23 ALA CB C 5 18.753 18.652 0.101 1
1 28 . 1 1 1 A 24 24 ALA H H 6 7.783 7.993 -0.210 1
1 29 . 1 1 1 A 24 24 ALA HA H 6 4.007 4.170 -0.163 1
1 33 . 1 1 1 A 24 24 ALA C C 6 178.203 179.542 -1.339 1
1 34 . 1 1 1 A 24 24 ALA CA C 6 54.590 55.154 -0.564 1
1 35 . 1 1 1 A 24 24 ALA CB C 6 18.494 17.883 0.611 1
1 36 . 1 1 1 A 24 24 ALA N N 6 121.484 120.432 1.052 1
1 37 . 1 1 1 A 25 25 LYS H H 7 7.921 7.812 0.109 1
1 38 . 1 1 1 A 25 25 LYS HA H 7 3.723 3.928 -0.205 1
1 47 . 1 1 1 A 25 25 LYS C C 7 178.121 179.150 -1.029 1
1 48 . 1 1 1 A 25 25 LYS CA C 7 59.475 58.992 0.483 1
1 49 . 1 1 1 A 25 25 LYS CB C 7 32.382 31.941 0.441 1
1 53 . 1 1 1 A 25 25 LYS N N 7 117.083 118.754 -1.671 1
1 54 . 1 1 1 A 26 26 HIS H H 8 7.810 7.586 0.224 1
1 55 . 1 1 1 A 26 26 HIS HA H 8 4.327 4.393 -0.066 1
1 58 . 1 1 1 A 26 26 HIS C C 8 175.774 177.838 -2.064 1
1 59 . 1 1 1 A 26 26 HIS CA C 8 58.657 59.892 -1.235 1
1 60 . 1 1 1 A 26 26 HIS CB C 8 30.271 31.337 -1.066 1
1 61 . 1 1 1 A 26 26 HIS N N 8 117.117 117.920 -0.803 1
1 62 . 1 1 1 A 27 27 LEU H H 9 7.710 8.149 -0.439 1
1 63 . 1 1 1 A 27 27 LEU HA H 9 3.921 3.949 -0.028 1
1 72 . 1 1 1 A 27 27 LEU C C 9 178.585 178.860 -0.275 1
1 73 . 1 1 1 A 27 27 LEU CA C 9 58.002 58.368 -0.366 1
1 74 . 1 1 1 A 27 27 LEU CB C 9 42.288 41.917 0.371 1
1 77 . 1 1 1 A 27 27 LEU N N 9 120.717 119.814 0.903 1
1 78 . 1 1 1 A 28 28 ILE H H 10 8.559 8.068 0.491 1
1 79 . 1 1 1 A 28 28 ILE HA H 10 3.656 3.654 0.002 1
1 89 . 1 1 1 A 28 28 ILE C C 10 178.148 178.287 -0.139 1
1 90 . 1 1 1 A 28 28 ILE CA C 10 66.845 65.092 1.753 1
1 91 . 1 1 1 A 28 28 ILE CB C 10 37.913 37.462 0.451 1
1 95 . 1 1 1 A 28 28 ILE N N 10 120.086 119.921 0.165 1
1 96 . 1 1 1 A 29 29 GLU H H 11 7.849 7.997 -0.148 1
1 97 . 1 1 1 A 29 29 GLU HA H 11 4.013 4.236 -0.223 1
1 102 . 1 1 1 A 29 29 GLU C C 11 179.376 179.174 0.202 1
1 103 . 1 1 1 A 29 29 GLU CA C 11 59.584 58.935 0.649 1
1 104 . 1 1 1 A 29 29 GLU CB C 11 29.070 29.048 0.022 1
1 106 . 1 1 1 A 29 29 GLU N N 11 118.346 121.481 -3.135 1
1 107 . 1 1 1 A 30 30 ARG H H 12 7.839 7.539 0.300 1
1 108 . 1 1 1 A 30 30 ARG HA H 12 4.064 4.159 -0.095 1
1 115 . 1 1 1 A 30 30 ARG C C 12 180.318 178.663 1.655 1
1 116 . 1 1 1 A 30 30 ARG CA C 12 59.585 58.033 1.552 1
1 117 . 1 1 1 A 30 30 ARG CB C 12 29.234 30.210 -0.976 1
1 120 . 1 1 1 A 30 30 ARG N N 12 120.904 119.510 1.394 1
1 121 . 1 1 1 A 31 31 TYR H H 13 8.545 7.964 0.581 1
1 122 . 1 1 1 A 31 31 TYR HA H 13 4.064 4.395 -0.331 1
1 129 . 1 1 1 A 31 31 TYR C C 13 177.725 178.862 -1.137 1
1 130 . 1 1 1 A 31 31 TYR CA C 13 63.351 60.137 3.214 1
1 131 . 1 1 1 A 31 31 TYR CB C 13 38.623 37.991 0.632 1
1 134 . 1 1 1 A 31 31 TYR N N 13 120.393 119.662 0.731 1
1 135 . 1 1 1 A 32 32 TYR H H 14 8.783 8.672 0.111 1
1 136 . 1 1 1 A 32 32 TYR HA H 14 3.948 4.202 -0.254 1
1 143 . 1 1 1 A 32 32 TYR C C 14 178.599 177.371 1.228 1
1 144 . 1 1 1 A 32 32 TYR CA C 14 62.669 62.008 0.661 1
1 145 . 1 1 1 A 32 32 TYR CB C 14 38.350 38.408 -0.058 1
1 148 . 1 1 1 A 32 32 TYR N N 14 120.342 119.663 0.679 1
1 149 . 1 1 1 A 33 33 HIS H H 15 8.740 8.343 0.397 1
1 150 . 1 1 1 A 33 33 HIS HA H 15 3.906 4.180 -0.274 1
1 153 . 1 1 1 A 33 33 HIS C C 15 177.834 176.747 1.087 1
1 154 . 1 1 1 A 33 33 HIS CA C 15 60.622 60.011 0.611 1
1 155 . 1 1 1 A 33 33 HIS CB C 15 30.599 29.365 1.234 1
1 156 . 1 1 1 A 33 33 HIS N N 15 121.297 119.085 2.212 1
1 157 . 1 1 1 A 34 34 GLN H H 16 8.371 7.920 0.451 1
1 158 . 1 1 1 A 34 34 GLN HA H 16 3.709 4.047 -0.338 1
1 165 . 1 1 1 A 34 34 GLN C C 16 176.238 177.912 -1.674 1
1 166 . 1 1 1 A 34 34 GLN CA C 16 60.185 58.647 1.538 1
1 167 . 1 1 1 A 34 34 GLN CB C 16 30.653 27.985 2.668 1
1 169 . 1 1 1 A 34 34 GLN N N 16 122.576 118.067 4.509 1
1 171 . 1 1 1 A 35 35 LEU H H 17 7.916 7.685 0.231 1
1 172 . 1 1 1 A 35 35 LEU HA H 17 3.978 3.954 0.024 1
1 182 . 1 1 1 A 35 35 LEU C C 17 175.624 178.970 -3.346 1
1 183 . 1 1 1 A 35 35 LEU CA C 17 56.377 57.366 -0.989 1
1 184 . 1 1 1 A 35 35 LEU CB C 17 45.098 42.067 3.031 1
1 188 . 1 1 1 A 35 35 LEU N N 17 116.299 118.861 -2.562 1
1 189 . 1 1 1 A 36 36 THR H H 18 7.148 7.781 -0.633 1
1 190 . 1 1 1 A 36 36 THR HA H 18 4.215 3.938 0.277 1
1 195 . 1 1 1 A 36 36 THR C C 18 174.709 176.622 -1.913 1
1 196 . 1 1 1 A 36 36 THR CA C 18 61.522 65.135 -3.613 1
1 197 . 1 1 1 A 36 36 THR CB C 18 70.434 68.132 2.302 1
1 199 . 1 1 1 A 36 36 THR N N 18 105.023 110.404 -5.381 1
1 200 . 1 1 1 A 37 37 GLU H H 19 8.234 7.749 0.485 1
1 201 . 1 1 1 A 37 37 GLU HA H 19 4.187 4.252 -0.065 1
1 206 . 1 1 1 A 37 37 GLU C C 19 177.657 177.122 0.535 1
1 207 . 1 1 1 A 37 37 GLU CA C 19 56.855 56.188 0.667 1
1 208 . 1 1 1 A 37 37 GLU CB C 19 30.872 30.502 0.370 1
1 210 . 1 1 1 A 37 37 GLU N N 19 122.559 119.294 3.265 1
1 211 . 1 1 1 A 38 38 GLY H H 20 7.485 7.671 -0.186 1
1 212 . 1 1 1 A 38 38 GLY HA2 H 20 4.586 3.811 0.775 1
1 213 . 1 1 1 A 38 38 GLY HA3 H 20 4.358 3.852 0.506 1
1 214 . 1 1 1 A 38 38 GLY C C 20 172.976 174.341 -1.365 1
1 215 . 1 1 1 A 38 38 GLY CA C 20 44.177 44.966 -0.789 1
1 216 . 1 1 1 A 38 38 GLY N N 20 107.019 106.986 0.033 1
1 217 . 1 1 1 A 39 39 CYS H H 21 7.410 8.287 -0.877 1
1 218 . 1 1 1 A 39 39 CYS HA H 21 4.498 4.806 -0.308 1
1 221 . 1 1 1 A 39 39 CYS C C 21 176.865 175.898 0.967 1
1 222 . 1 1 1 A 39 39 CYS CA C 21 58.493 58.414 0.079 1
1 223 . 1 1 1 A 39 39 CYS CB C 21 31.636 29.063 2.573 1
1 224 . 1 1 1 A 39 39 CYS N N 21 118.260 122.602 -4.342 1
1 225 . 1 1 1 A 40 40 GLY H H 22 8.670 8.097 0.573 1
1 226 . 1 1 1 A 40 40 GLY HA2 H 22 4.260 3.968 0.292 1
1 227 . 1 1 1 A 40 40 GLY HA3 H 22 3.505 3.984 -0.479 1
1 228 . 1 1 1 A 40 40 GLY C C 22 173.618 174.351 -0.733 1
1 229 . 1 1 1 A 40 40 GLY CA C 22 45.188 45.307 -0.119 1
1 230 . 1 1 1 A 40 40 GLY N N 22 112.324 110.482 1.842 1
1 231 . 1 1 1 A 41 41 ASN H H 23 8.379 8.003 0.376 1
1 232 . 1 1 1 A 41 41 ASN HA H 23 4.452 4.783 -0.331 1
1 237 . 1 1 1 A 41 41 ASN C C 23 175.132 175.719 -0.587 1
1 238 . 1 1 1 A 41 41 ASN CA C 23 52.106 53.306 -1.200 1
1 239 . 1 1 1 A 41 41 ASN CB C 23 38.678 39.208 -0.530 1
1 240 . 1 1 1 A 41 41 ASN N N 23 122.184 118.724 3.460 1
1 242 . 1 1 1 A 42 42 GLU H H 24 8.769 8.818 -0.049 1
1 243 . 1 1 1 A 42 42 GLU HA H 24 4.167 4.096 0.071 1
1 248 . 1 1 1 A 42 42 GLU C C 24 175.801 177.472 -1.671 1
1 249 . 1 1 1 A 42 42 GLU CA C 24 57.947 59.175 -1.228 1
1 250 . 1 1 1 A 42 42 GLU CB C 24 29.016 29.549 -0.533 1
1 252 . 1 1 1 A 42 42 GLU N N 24 124.589 122.839 1.750 1
1 253 . 1 1 1 A 43 43 ALA H H 25 7.839 7.468 0.371 1
1 254 . 1 1 1 A 43 43 ALA HA H 25 4.381 4.384 -0.003 1
1 258 . 1 1 1 A 43 43 ALA C C 25 175.842 176.195 -0.353 1
1 259 . 1 1 1 A 43 43 ALA CA C 25 50.319 51.678 -1.359 1
1 260 . 1 1 1 A 43 43 ALA CB C 25 18.563 17.471 1.092 1
1 261 . 1 1 1 A 43 43 ALA N N 25 121.706 119.312 2.394 1
1 262 . 1 1 1 A 44 44 CYS H H 26 7.350 8.274 -0.924 1
1 263 . 1 1 1 A 44 44 CYS HA H 26 3.757 5.098 -1.341 1
1 266 . 1 1 1 A 44 44 CYS C C 26 176.019 172.820 3.199 1
1 267 . 1 1 1 A 44 44 CYS CA C 26 62.696 57.359 5.337 1
1 268 . 1 1 1 A 44 44 CYS CB C 26 29.671 30.568 -0.897 1
1 269 . 1 1 1 A 44 44 CYS N N 26 124.265 121.979 2.286 1
1 270 . 1 1 1 A 45 45 THR H H 27 7.872 9.097 -1.225 1
1 271 . 1 1 1 A 45 45 THR HA H 27 4.511 4.792 -0.281 1
1 276 . 1 1 1 A 45 45 THR C C 27 174.969 172.699 2.270 1
1 277 . 1 1 1 A 45 45 THR CA C 27 61.113 60.651 0.462 1
1 278 . 1 1 1 A 45 45 THR CB C 27 69.834 68.927 0.907 1
1 280 . 1 1 1 A 45 45 THR N N 27 115.292 123.090 -7.798 1
1 281 . 1 1 1 A 46 46 ASN H H 28 9.336 8.217 1.119 1
1 282 . 1 1 1 A 46 46 ASN HA H 28 4.430 5.188 -0.758 1
1 287 . 1 1 1 A 46 46 ASN C C 28 174.273 175.503 -1.230 1
1 288 . 1 1 1 A 46 46 ASN CA C 28 53.144 51.935 1.209 1
1 289 . 1 1 1 A 46 46 ASN CB C 28 38.500 40.584 -2.084 1
1 290 . 1 1 1 A 46 46 ASN N N 28 127.779 125.276 2.503 1
1 292 . 1 1 1 A 47 47 GLU H H 29 8.499 8.918 -0.419 1
1 293 . 1 1 1 A 47 47 GLU HA H 29 4.006 4.293 -0.287 1
1 298 . 1 1 1 A 47 47 GLU C C 29 175.815 177.092 -1.277 1
1 299 . 1 1 1 A 47 47 GLU CA C 29 58.111 58.685 -0.574 1
1 300 . 1 1 1 A 47 47 GLU CB C 29 29.070 28.835 0.235 1
1 302 . 1 1 1 A 47 47 GLU N N 29 123.804 125.598 -1.794 1
1 303 . 1 1 1 A 48 48 PHE H H 30 7.423 7.398 0.025 1
1 304 . 1 1 1 A 48 48 PHE HA H 30 4.860 4.721 0.139 1
1 311 . 1 1 1 A 48 48 PHE C C 30 171.980 175.068 -3.088 1
1 312 . 1 1 1 A 48 48 PHE CA C 30 56.336 58.090 -1.754 1
1 313 . 1 1 1 A 48 48 PHE CB C 30 38.132 38.873 -0.741 1
1 316 . 1 1 1 A 48 48 PHE N N 30 117.186 118.026 -0.840 1
1 317 . 1 1 1 A 49 49 CYS H H 31 7.420 7.391 0.029 1
1 318 . 1 1 1 A 49 49 CYS HA H 31 4.264 4.731 -0.467 1
1 321 . 1 1 1 A 49 49 CYS C C 31 174.436 173.423 1.013 1
1 322 . 1 1 1 A 49 49 CYS CA C 31 57.047 57.741 -0.694 1
1 323 . 1 1 1 A 49 49 CYS CB C 31 33.492 31.106 2.386 1
1 324 . 1 1 1 A 49 49 CYS N N 31 121.843 118.182 3.661 1
1 325 . 1 1 1 A 50 50 ALA H H 32 7.949 8.399 -0.450 1
1 326 . 1 1 1 A 50 50 ALA HA H 32 2.992 3.805 -0.813 1
1 330 . 1 1 1 A 50 50 ALA C C 32 178.762 177.826 0.936 1
1 331 . 1 1 1 A 50 50 ALA CA C 32 53.007 51.579 1.428 1
1 332 . 1 1 1 A 50 50 ALA CB C 32 17.007 19.219 -2.212 1
1 333 . 1 1 1 A 50 50 ALA N N 32 128.103 127.299 0.804 1
1 334 . 1 1 1 A 51 51 SER H H 33 9.507 8.592 0.915 1
1 335 . 1 1 1 A 51 51 SER HA H 33 4.299 4.066 0.233 1
1 338 . 1 1 1 A 51 51 SER C C 33 173.399 173.535 -0.136 1
1 339 . 1 1 1 A 51 51 SER CA C 33 60.840 60.513 0.327 1
1 340 . 1 1 1 A 51 51 SER CB C 33 63.679 61.644 2.035 1
1 341 . 1 1 1 A 51 51 SER N N 33 119.062 111.467 7.595 1
1 342 . 1 1 1 A 52 52 CYS H H 34 7.978 7.753 0.225 1
1 343 . 1 1 1 A 52 52 CYS HA H 34 4.652 4.916 -0.264 1
1 346 . 1 1 1 A 52 52 CYS CA C 34 55.835 56.907 -1.072 1
1 347 . 1 1 1 A 52 52 CYS CB C 34 27.879 28.839 -0.960 1
1 348 . 1 1 1 A 52 52 CYS N N 34 124.589 119.292 5.297 1
1 349 . 1 1 1 A 53 53 PRO HA H 35 4.393 4.289 0.104 1
1 356 . 1 1 1 A 53 53 PRO C C 35 177.889 177.405 0.484 1
1 357 . 1 1 1 A 53 53 PRO CA C 35 65.180 64.966 0.214 1
1 358 . 1 1 1 A 53 53 PRO CB C 35 32.850 31.814 1.036 1
1 361 . 1 1 1 A 54 54 THR H H 36 7.507 7.648 -0.141 1
1 362 . 1 1 1 A 54 54 THR HA H 36 4.314 4.328 -0.014 1
1 367 . 1 1 1 A 54 54 THR C C 36 174.177 175.043 -0.866 1
1 368 . 1 1 1 A 54 54 THR CA C 36 61.195 62.271 -1.076 1
1 369 . 1 1 1 A 54 54 THR CB C 36 68.101 69.369 -1.268 1
1 371 . 1 1 1 A 54 54 THR N N 36 107.002 108.327 -1.325 1
1 372 . 1 1 1 A 55 55 PHE H H 37 7.716 7.533 0.183 1
1 373 . 1 1 1 A 55 55 PHE HA H 37 4.204 4.700 -0.496 1
1 380 . 1 1 1 A 55 55 PHE C C 37 175.228 174.087 1.141 1
1 381 . 1 1 1 A 55 55 PHE CA C 37 58.875 58.035 0.840 1
1 382 . 1 1 1 A 55 55 PHE CB C 37 40.942 40.038 0.904 1
1 385 . 1 1 1 A 55 55 PHE N N 37 124.794 124.348 0.446 1
1 386 . 1 1 1 A 56 56 LEU H H 38 7.490 8.456 -0.966 1
1 387 . 1 1 1 A 56 56 LEU HA H 38 4.310 4.680 -0.370 1
1 397 . 1 1 1 A 56 56 LEU C C 38 174.300 175.180 -0.880 1
1 398 . 1 1 1 A 56 56 LEU CA C 38 53.416 53.389 0.027 1
1 399 . 1 1 1 A 56 56 LEU CB C 38 41.386 44.188 -2.802 1
1 403 . 1 1 1 A 56 56 LEU N N 38 130.713 128.569 2.144 1
1 404 . 1 1 1 A 57 57 ARG H H 39 7.930 8.157 -0.227 1
1 405 . 1 1 1 A 57 57 ARG HA H 39 3.994 4.149 -0.155 1
1 412 . 1 1 1 A 57 57 ARG CA C 39 57.374 55.907 1.467 1
1 413 . 1 1 1 A 57 57 ARG CB C 39 30.517 30.477 0.040 1
1 416 . 1 1 1 A 57 57 ARG N N 39 122.866 125.508 -2.642 1
1 417 . 1 1 1 A 58 58 MET H H 40 8.408 8.231 0.177 1
1 418 . 1 1 1 A 58 58 MET HA H 40 4.706 5.095 -0.389 1
1 423 . 1 1 1 A 58 58 MET C C 40 175.160 176.050 -0.890 1
1 424 . 1 1 1 A 58 58 MET CA C 40 53.908 53.445 0.463 1
1 425 . 1 1 1 A 58 58 MET CB C 40 36.603 35.364 1.239 1
1 427 . 1 1 1 A 58 58 MET N N 40 121.024 122.730 -1.706 1
1 428 . 1 1 1 A 59 59 ASP H H 41 8.419 8.707 -0.288 1
1 429 . 1 1 1 A 59 59 ASP HA H 41 4.588 4.771 -0.183 1
1 432 . 1 1 1 A 59 59 ASP CA C 41 53.699 54.282 -0.583 1
1 433 . 1 1 1 A 59 59 ASP CB C 41 41.540 41.739 -0.199 1
1 434 . 1 1 1 A 59 59 ASP N N 41 120.478 119.725 0.753 1
1 435 . 1 1 1 A 60 60 ASN HA H 42 4.317 4.575 -0.258 1
1 440 . 1 1 1 A 60 60 ASN C C 42 177.739 177.858 -0.119 1
1 441 . 1 1 1 A 60 60 ASN CA C 42 56.637 55.788 0.849 1
1 442 . 1 1 1 A 60 60 ASN CB C 42 37.586 38.245 -0.659 1
1 444 . 1 1 1 A 61 61 ASN H H 43 8.442 8.248 0.194 1
1 445 . 1 1 1 A 61 61 ASN HA H 43 4.450 4.482 -0.032 1
1 448 . 1 1 1 A 61 61 ASN C C 43 177.439 177.580 -0.141 1
1 449 . 1 1 1 A 61 61 ASN CA C 43 56.528 56.030 0.498 1
1 450 . 1 1 1 A 61 61 ASN CB C 43 38.023 38.046 -0.023 1
1 451 . 1 1 1 A 61 61 ASN N N 43 118.960 119.536 -0.576 1
1 452 . 1 1 1 A 62 62 ALA H H 44 8.229 8.187 0.042 1
1 453 . 1 1 1 A 62 62 ALA HA H 44 4.102 4.166 -0.064 1
1 457 . 1 1 1 A 62 62 ALA C C 44 180.973 180.120 0.853 1
1 458 . 1 1 1 A 62 62 ALA CA C 44 54.672 54.815 -0.143 1
1 459 . 1 1 1 A 62 62 ALA CB C 44 18.466 18.345 0.121 1
1 460 . 1 1 1 A 62 62 ALA N N 44 123.651 122.987 0.664 1
1 461 . 1 1 1 A 63 63 ALA H H 45 8.779 8.286 0.493 1
1 462 . 1 1 1 A 63 63 ALA HA H 45 4.238 4.357 -0.119 1
1 466 . 1 1 1 A 63 63 ALA C C 45 178.680 179.998 -1.318 1
1 467 . 1 1 1 A 63 63 ALA CA C 45 54.945 54.980 -0.035 1
1 468 . 1 1 1 A 63 63 ALA CB C 45 18.685 18.462 0.223 1
1 469 . 1 1 1 A 63 63 ALA N N 45 121.928 120.508 1.420 1
1 470 . 1 1 1 A 64 64 ALA H H 46 8.024 7.762 0.262 1
1 471 . 1 1 1 A 64 64 ALA HA H 46 4.109 4.229 -0.120 1
1 475 . 1 1 1 A 64 64 ALA C C 46 179.731 179.785 -0.054 1
1 476 . 1 1 1 A 64 64 ALA CA C 46 55.873 55.141 0.732 1
1 477 . 1 1 1 A 64 64 ALA CB C 46 17.853 18.564 -0.711 1
1 478 . 1 1 1 A 64 64 ALA N N 46 121.126 120.638 0.488 1
1 479 . 1 1 1 A 65 65 ILE H H 47 7.220 7.854 -0.634 1
1 480 . 1 1 1 A 65 65 ILE HA H 47 3.740 3.638 0.102 1
1 490 . 1 1 1 A 65 65 ILE C C 47 179.049 178.153 0.896 1
1 491 . 1 1 1 A 65 65 ILE CA C 47 64.061 65.564 -1.503 1
1 492 . 1 1 1 A 65 65 ILE CB C 47 38.528 38.038 0.490 1
1 496 . 1 1 1 A 65 65 ILE N N 47 117.953 118.941 -0.988 1
1 497 . 1 1 1 A 66 66 LYS H H 48 8.363 8.022 0.341 1
1 498 . 1 1 1 A 66 66 LYS HA H 48 4.062 4.028 0.034 1
1 507 . 1 1 1 A 66 66 LYS C C 48 177.739 178.814 -1.075 1
1 508 . 1 1 1 A 66 66 LYS CA C 48 57.074 58.617 -1.543 1
1 509 . 1 1 1 A 66 66 LYS CB C 48 31.472 31.789 -0.317 1
1 513 . 1 1 1 A 66 66 LYS N N 48 121.894 120.921 0.973 1
1 514 . 1 1 1 A 67 67 ALA H H 49 8.730 8.243 0.487 1
1 515 . 1 1 1 A 67 67 ALA HA H 49 3.682 4.153 -0.471 1
1 519 . 1 1 1 A 67 67 ALA C C 49 178.339 180.275 -1.936 1
1 520 . 1 1 1 A 67 67 ALA CA C 49 56.037 55.184 0.853 1
1 521 . 1 1 1 A 67 67 ALA CB C 49 18.126 18.136 -0.010 1
1 522 . 1 1 1 A 67 67 ALA N N 49 121.723 122.355 -0.632 1
1 523 . 1 1 1 A 68 68 LEU H H 50 6.888 7.975 -1.087 1
1 524 . 1 1 1 A 68 68 LEU HA H 50 4.020 4.067 -0.047 1
1 534 . 1 1 1 A 68 68 LEU C C 50 178.776 179.292 -0.516 1
1 535 . 1 1 1 A 68 68 LEU CA C 50 57.892 57.551 0.341 1
1 536 . 1 1 1 A 68 68 LEU CB C 50 41.832 41.461 0.371 1
1 540 . 1 1 1 A 68 68 LEU N N 50 115.156 118.956 -3.800 1
1 541 . 1 1 1 A 69 69 GLU H H 51 7.216 7.874 -0.658 1
1 542 . 1 1 1 A 69 69 GLU HA H 51 3.836 3.987 -0.151 1
1 547 . 1 1 1 A 69 69 GLU C C 51 178.721 178.961 -0.240 1
1 548 . 1 1 1 A 69 69 GLU CA C 51 59.257 59.329 -0.072 1
1 549 . 1 1 1 A 69 69 GLU CB C 51 29.343 29.221 0.122 1
1 551 . 1 1 1 A 69 69 GLU N N 51 119.727 119.850 -0.123 1
1 552 . 1 1 1 A 70 70 LEU H H 52 8.326 8.094 0.232 1
1 553 . 1 1 1 A 70 70 LEU HA H 52 3.501 3.773 -0.272 1
1 563 . 1 1 1 A 70 70 LEU C C 52 178.421 178.475 -0.054 1
1 564 . 1 1 1 A 70 70 LEU CA C 52 56.814 57.326 -0.512 1
1 565 . 1 1 1 A 70 70 LEU CB C 52 39.497 40.800 -1.303 1
1 569 . 1 1 1 A 70 70 LEU N N 52 117.442 119.172 -1.730 1
1 570 . 1 1 1 A 71 71 TYR H H 53 7.440 7.803 -0.363 1
1 571 . 1 1 1 A 71 71 TYR HA H 53 4.010 3.680 0.330 1
1 578 . 1 1 1 A 71 71 TYR C C 53 177.602 177.808 -0.206 1
1 579 . 1 1 1 A 71 71 TYR CA C 53 60.751 61.315 -0.564 1
1 580 . 1 1 1 A 71 71 TYR CB C 53 38.221 38.515 -0.294 1
1 583 . 1 1 1 A 71 71 TYR N N 53 118.670 120.440 -1.770 1
1 584 . 1 1 1 A 72 72 LYS H H 54 7.720 8.140 -0.420 1
1 585 . 1 1 1 A 72 72 LYS HA H 54 3.543 3.843 -0.300 1
1 594 . 1 1 1 A 72 72 LYS C C 54 178.216 177.943 0.273 1
1 595 . 1 1 1 A 72 72 LYS CA C 54 59.475 59.011 0.464 1
1 596 . 1 1 1 A 72 72 LYS CB C 54 32.400 31.804 0.596 1
1 600 . 1 1 1 A 72 72 LYS N N 54 120.512 118.415 2.097 1
1 601 . 1 1 1 A 73 73 ILE H H 55 7.265 7.268 -0.003 1
1 602 . 1 1 1 A 73 73 ILE HA H 55 4.327 4.058 0.269 1
1 610 . 1 1 1 A 73 73 ILE CA C 55 60.625 61.600 -0.975 1
1 611 . 1 1 1 A 73 73 ILE CB C 55 38.244 38.495 -0.251 1
1 614 . 1 1 1 A 73 73 ILE N N 55 109.032 115.669 -6.637 1
1 615 . 1 1 1 A 74 74 ASN HA H 56 4.225 4.269 -0.044 1
1 620 . 1 1 1 A 74 74 ASN C C 56 174.532 174.365 0.167 1
1 621 . 1 1 1 A 74 74 ASN CA C 56 53.853 54.271 -0.418 1
1 622 . 1 1 1 A 74 74 ASN CB C 56 37.027 36.801 0.226 1
1 624 . 1 1 1 A 75 75 ALA H H 57 7.653 7.712 -0.059 1
1 625 . 1 1 1 A 75 75 ALA HA H 57 4.126 4.380 -0.254 1
1 629 . 1 1 1 A 75 75 ALA C C 57 177.848 176.953 0.895 1
1 630 . 1 1 1 A 75 75 ALA CA C 57 51.969 51.541 0.428 1
1 631 . 1 1 1 A 75 75 ALA CB C 57 20.500 20.062 0.438 1
1 632 . 1 1 1 A 75 75 ALA N N 57 119.216 119.550 -0.334 1
1 633 . 1 1 1 A 76 76 LYS H H 58 8.612 8.548 0.064 1
1 634 . 1 1 1 A 76 76 LYS HA H 58 3.999 4.440 -0.441 1
1 643 . 1 1 1 A 76 76 LYS C C 58 176.142 175.542 0.600 1
1 644 . 1 1 1 A 76 76 LYS CA C 58 58.220 56.237 1.983 1
1 645 . 1 1 1 A 76 76 LYS CB C 58 32.673 32.016 0.657 1
1 649 . 1 1 1 A 76 76 LYS N N 58 122.696 118.929 3.767 1
1 650 . 1 1 1 A 77 77 LEU H H 59 8.427 8.545 -0.118 1
1 651 . 1 1 1 A 77 77 LEU HA H 59 4.954 5.055 -0.101 1
1 661 . 1 1 1 A 77 77 LEU C C 59 177.712 175.051 2.661 1
1 662 . 1 1 1 A 77 77 LEU CA C 59 52.843 54.121 -1.278 1
1 663 . 1 1 1 A 77 77 LEU CB C 59 43.611 44.173 -0.562 1
1 667 . 1 1 1 A 77 77 LEU N N 59 129.775 126.959 2.816 1
1 668 . 1 1 1 A 78 78 CYS H H 60 8.573 8.725 -0.152 1
1 669 . 1 1 1 A 78 78 CYS HA H 60 3.938 4.939 -1.001 1
1 672 . 1 1 1 A 78 78 CYS C C 60 176.265 174.136 2.129 1
1 673 . 1 1 1 A 78 78 CYS CA C 60 61.768 57.339 4.429 1
1 674 . 1 1 1 A 78 78 CYS CB C 60 31.103 28.037 3.066 1
1 675 . 1 1 1 A 78 78 CYS N N 60 126.244 125.937 0.307 1
1 676 . 1 1 1 A 79 79 ASP H H 61 8.570 8.658 -0.088 1
1 677 . 1 1 1 A 79 79 ASP HA H 61 4.765 4.775 -0.010 1
1 680 . 1 1 1 A 79 79 ASP CA C 61 52.464 52.317 0.147 1
1 681 . 1 1 1 A 79 79 ASP CB C 61 40.598 40.251 0.347 1
1 682 . 1 1 1 A 79 79 ASP N N 61 123.037 126.626 -3.589 1
1 683 . 1 1 1 A 80 80 PRO HA H 62 4.351 4.857 -0.506 1
1 690 . 1 1 1 A 80 80 PRO C C 62 175.296 175.490 -0.194 1
1 691 . 1 1 1 A 80 80 PRO CA C 62 63.419 62.517 0.902 1
1 692 . 1 1 1 A 80 80 PRO CB C 62 31.963 31.778 0.185 1
1 695 . 1 1 1 A 81 81 HIS H H 63 8.283 8.573 -0.290 1
1 696 . 1 1 1 A 81 81 HIS HA H 63 4.737 5.093 -0.356 1
1 697 . 1 1 1 A 81 81 HIS CA C 63 54.272 53.163 1.109 1
1 698 . 1 1 1 A 81 81 HIS N N 63 122.934 122.530 0.404 1
1 1 . 2 1 1 A 20 20 LYS HA H 2 4.205 4.406 -0.201 1
1 8 . 2 1 1 A 20 20 LYS C C 2 176.538 176.665 -0.127 1
1 9 . 2 1 1 A 20 20 LYS CA C 2 56.364 55.547 0.817 1
1 10 . 2 1 1 A 20 20 LYS CB C 2 30.708 31.977 -1.269 1
1 13 . 2 1 1 A 21 21 ARG H H 3 8.541 8.658 -0.117 1
1 14 . 2 1 1 A 21 21 ARG N N 3 120.785 127.095 -6.310 1
1 15 . 2 1 1 A 22 22 ALA HA H 4 4.082 3.944 0.138 1
1 19 . 2 1 1 A 22 22 ALA CA C 4 54.047 54.842 -0.795 1
1 20 . 2 1 1 A 22 22 ALA CB C 4 18.824 17.814 1.010 1
1 21 . 2 1 1 A 23 23 ALA HA H 5 4.177 4.133 0.044 1
1 25 . 2 1 1 A 23 23 ALA C C 5 178.940 179.335 -0.395 1
1 26 . 2 1 1 A 23 23 ALA CA C 5 53.798 54.921 -1.123 1
1 27 . 2 1 1 A 23 23 ALA CB C 5 18.753 18.393 0.360 1
1 28 . 2 1 1 A 24 24 ALA H H 6 7.783 7.839 -0.056 1
1 29 . 2 1 1 A 24 24 ALA HA H 6 4.007 4.140 -0.133 1
1 33 . 2 1 1 A 24 24 ALA C C 6 178.203 179.508 -1.305 1
1 34 . 2 1 1 A 24 24 ALA CA C 6 54.590 55.270 -0.680 1
1 35 . 2 1 1 A 24 24 ALA CB C 6 18.494 18.412 0.082 1
1 36 . 2 1 1 A 24 24 ALA N N 6 121.484 120.668 0.816 1
1 37 . 2 1 1 A 25 25 LYS H H 7 7.921 7.788 0.133 1
1 38 . 2 1 1 A 25 25 LYS HA H 7 3.723 4.040 -0.317 1
1 47 . 2 1 1 A 25 25 LYS C C 7 178.121 179.436 -1.315 1
1 48 . 2 1 1 A 25 25 LYS CA C 7 59.475 58.565 0.910 1
1 49 . 2 1 1 A 25 25 LYS CB C 7 32.382 31.782 0.600 1
1 53 . 2 1 1 A 25 25 LYS N N 7 117.083 117.136 -0.053 1
1 54 . 2 1 1 A 26 26 HIS H H 8 7.810 7.562 0.248 1
1 55 . 2 1 1 A 26 26 HIS HA H 8 4.327 4.393 -0.066 1
1 58 . 2 1 1 A 26 26 HIS C C 8 175.774 178.025 -2.251 1
1 59 . 2 1 1 A 26 26 HIS CA C 8 58.657 60.162 -1.505 1
1 60 . 2 1 1 A 26 26 HIS CB C 8 30.271 30.927 -0.656 1
1 61 . 2 1 1 A 26 26 HIS N N 8 117.117 118.252 -1.135 1
1 62 . 2 1 1 A 27 27 LEU H H 9 7.710 7.924 -0.214 1
1 63 . 2 1 1 A 27 27 LEU HA H 9 3.921 3.876 0.045 1
1 72 . 2 1 1 A 27 27 LEU C C 9 178.585 179.342 -0.757 1
1 73 . 2 1 1 A 27 27 LEU CA C 9 58.002 57.741 0.261 1
1 74 . 2 1 1 A 27 27 LEU CB C 9 42.288 41.190 1.098 1
1 77 . 2 1 1 A 27 27 LEU N N 9 120.717 119.622 1.095 1
1 78 . 2 1 1 A 28 28 ILE H H 10 8.559 7.800 0.759 1
1 79 . 2 1 1 A 28 28 ILE HA H 10 3.656 3.556 0.100 1
1 89 . 2 1 1 A 28 28 ILE C C 10 178.148 177.985 0.163 1
1 90 . 2 1 1 A 28 28 ILE CA C 10 66.845 65.206 1.639 1
1 91 . 2 1 1 A 28 28 ILE CB C 10 37.913 37.449 0.464 1
1 95 . 2 1 1 A 28 28 ILE N N 10 120.086 119.746 0.340 1
1 96 . 2 1 1 A 29 29 GLU H H 11 7.849 8.385 -0.536 1
1 97 . 2 1 1 A 29 29 GLU HA H 11 4.013 4.010 0.003 1
1 102 . 2 1 1 A 29 29 GLU C C 11 179.376 179.787 -0.411 1
1 103 . 2 1 1 A 29 29 GLU CA C 11 59.584 60.238 -0.654 1
1 104 . 2 1 1 A 29 29 GLU CB C 11 29.070 29.347 -0.277 1
1 106 . 2 1 1 A 29 29 GLU N N 11 118.346 121.367 -3.021 1
1 107 . 2 1 1 A 30 30 ARG H H 12 7.839 7.686 0.153 1
1 108 . 2 1 1 A 30 30 ARG HA H 12 4.064 4.142 -0.078 1
1 115 . 2 1 1 A 30 30 ARG C C 12 180.318 178.653 1.665 1
1 116 . 2 1 1 A 30 30 ARG CA C 12 59.585 58.029 1.556 1
1 117 . 2 1 1 A 30 30 ARG CB C 12 29.234 30.097 -0.863 1
1 120 . 2 1 1 A 30 30 ARG N N 12 120.904 119.431 1.473 1
1 121 . 2 1 1 A 31 31 TYR H H 13 8.545 7.989 0.556 1
1 122 . 2 1 1 A 31 31 TYR HA H 13 4.064 4.349 -0.285 1
1 129 . 2 1 1 A 31 31 TYR C C 13 177.725 178.314 -0.589 1
1 130 . 2 1 1 A 31 31 TYR CA C 13 63.351 60.531 2.820 1
1 131 . 2 1 1 A 31 31 TYR CB C 13 38.623 38.297 0.326 1
1 134 . 2 1 1 A 31 31 TYR N N 13 120.393 119.188 1.205 1
1 135 . 2 1 1 A 32 32 TYR H H 14 8.783 8.260 0.523 1
1 136 . 2 1 1 A 32 32 TYR HA H 14 3.948 4.230 -0.282 1
1 143 . 2 1 1 A 32 32 TYR C C 14 178.599 177.796 0.803 1
1 144 . 2 1 1 A 32 32 TYR CA C 14 62.669 62.020 0.649 1
1 145 . 2 1 1 A 32 32 TYR CB C 14 38.350 38.377 -0.027 1
1 148 . 2 1 1 A 32 32 TYR N N 14 120.342 120.609 -0.267 1
1 149 . 2 1 1 A 33 33 HIS H H 15 8.740 8.179 0.561 1
1 150 . 2 1 1 A 33 33 HIS HA H 15 3.906 4.670 -0.764 1
1 153 . 2 1 1 A 33 33 HIS C C 15 177.834 177.337 0.497 1
1 154 . 2 1 1 A 33 33 HIS CA C 15 60.622 59.481 1.141 1
1 155 . 2 1 1 A 33 33 HIS CB C 15 30.599 29.069 1.530 1
1 156 . 2 1 1 A 33 33 HIS N N 15 121.297 116.926 4.371 1
1 157 . 2 1 1 A 34 34 GLN H H 16 8.371 7.995 0.376 1
1 158 . 2 1 1 A 34 34 GLN HA H 16 3.709 3.904 -0.195 1
1 165 . 2 1 1 A 34 34 GLN C C 16 176.238 177.510 -1.272 1
1 166 . 2 1 1 A 34 34 GLN CA C 16 60.185 58.706 1.479 1
1 167 . 2 1 1 A 34 34 GLN CB C 16 30.653 28.108 2.545 1
1 169 . 2 1 1 A 34 34 GLN N N 16 122.576 120.188 2.388 1
1 171 . 2 1 1 A 35 35 LEU H H 17 7.916 7.460 0.456 1
1 172 . 2 1 1 A 35 35 LEU HA H 17 3.978 4.104 -0.126 1
1 182 . 2 1 1 A 35 35 LEU C C 17 175.624 178.955 -3.331 1
1 183 . 2 1 1 A 35 35 LEU CA C 17 56.377 56.901 -0.524 1
1 184 . 2 1 1 A 35 35 LEU CB C 17 45.098 42.325 2.773 1
1 188 . 2 1 1 A 35 35 LEU N N 17 116.299 118.251 -1.952 1
1 189 . 2 1 1 A 36 36 THR H H 18 7.148 7.981 -0.833 1
1 190 . 2 1 1 A 36 36 THR HA H 18 4.215 3.988 0.227 1
1 195 . 2 1 1 A 36 36 THR C C 18 174.709 177.162 -2.453 1
1 196 . 2 1 1 A 36 36 THR CA C 18 61.522 65.406 -3.884 1
1 197 . 2 1 1 A 36 36 THR CB C 18 70.434 68.063 2.371 1
1 199 . 2 1 1 A 36 36 THR N N 18 105.023 110.288 -5.265 1
1 200 . 2 1 1 A 37 37 GLU H H 19 8.234 7.829 0.405 1
1 201 . 2 1 1 A 37 37 GLU HA H 19 4.187 4.232 -0.045 1
1 206 . 2 1 1 A 37 37 GLU C C 19 177.657 177.568 0.089 1
1 207 . 2 1 1 A 37 37 GLU CA C 19 56.855 56.983 -0.128 1
1 208 . 2 1 1 A 37 37 GLU CB C 19 30.872 30.543 0.329 1
1 210 . 2 1 1 A 37 37 GLU N N 19 122.559 120.815 1.744 1
1 211 . 2 1 1 A 38 38 GLY H H 20 7.485 7.994 -0.509 1
1 212 . 2 1 1 A 38 38 GLY HA2 H 20 4.586 3.853 0.733 1
1 213 . 2 1 1 A 38 38 GLY HA3 H 20 4.358 3.876 0.482 1
1 214 . 2 1 1 A 38 38 GLY C C 20 172.976 174.388 -1.412 1
1 215 . 2 1 1 A 38 38 GLY CA C 20 44.177 46.331 -2.154 1
1 216 . 2 1 1 A 38 38 GLY N N 20 107.019 106.658 0.361 1
1 217 . 2 1 1 A 39 39 CYS H H 21 7.410 7.914 -0.504 1
1 218 . 2 1 1 A 39 39 CYS HA H 21 4.498 4.537 -0.039 1
1 221 . 2 1 1 A 39 39 CYS C C 21 176.865 175.994 0.871 1
1 222 . 2 1 1 A 39 39 CYS CA C 21 58.493 58.335 0.158 1
1 223 . 2 1 1 A 39 39 CYS CB C 21 31.636 29.386 2.250 1
1 224 . 2 1 1 A 39 39 CYS N N 21 118.260 123.181 -4.921 1
1 225 . 2 1 1 A 40 40 GLY H H 22 8.670 8.147 0.523 1
1 226 . 2 1 1 A 40 40 GLY HA2 H 22 4.260 3.935 0.325 1
1 227 . 2 1 1 A 40 40 GLY HA3 H 22 3.505 3.935 -0.430 1
1 228 . 2 1 1 A 40 40 GLY C C 22 173.618 174.122 -0.504 1
1 229 . 2 1 1 A 40 40 GLY CA C 22 45.188 45.386 -0.198 1
1 230 . 2 1 1 A 40 40 GLY N N 22 112.324 111.174 1.150 1
1 231 . 2 1 1 A 41 41 ASN H H 23 8.379 7.886 0.493 1
1 232 . 2 1 1 A 41 41 ASN HA H 23 4.452 4.660 -0.208 1
1 237 . 2 1 1 A 41 41 ASN C C 23 175.132 176.257 -1.125 1
1 238 . 2 1 1 A 41 41 ASN CA C 23 52.106 53.574 -1.468 1
1 239 . 2 1 1 A 41 41 ASN CB C 23 38.678 39.511 -0.833 1
1 240 . 2 1 1 A 41 41 ASN N N 23 122.184 119.844 2.340 1
1 242 . 2 1 1 A 42 42 GLU H H 24 8.769 8.991 -0.222 1
1 243 . 2 1 1 A 42 42 GLU HA H 24 4.167 4.056 0.111 1
1 248 . 2 1 1 A 42 42 GLU C C 24 175.801 177.638 -1.837 1
1 249 . 2 1 1 A 42 42 GLU CA C 24 57.947 59.299 -1.352 1
1 250 . 2 1 1 A 42 42 GLU CB C 24 29.016 29.533 -0.517 1
1 252 . 2 1 1 A 42 42 GLU N N 24 124.589 126.998 -2.409 1
1 253 . 2 1 1 A 43 43 ALA H H 25 7.839 7.473 0.366 1
1 254 . 2 1 1 A 43 43 ALA HA H 25 4.381 4.382 -0.001 1
1 258 . 2 1 1 A 43 43 ALA C C 25 175.842 176.169 -0.327 1
1 259 . 2 1 1 A 43 43 ALA CA C 25 50.319 51.700 -1.381 1
1 260 . 2 1 1 A 43 43 ALA CB C 25 18.563 17.440 1.123 1
1 261 . 2 1 1 A 43 43 ALA N N 25 121.706 119.291 2.415 1
1 262 . 2 1 1 A 44 44 CYS H H 26 7.350 8.173 -0.823 1
1 263 . 2 1 1 A 44 44 CYS HA H 26 3.757 4.898 -1.141 1
1 266 . 2 1 1 A 44 44 CYS C C 26 176.019 174.757 1.262 1
1 267 . 2 1 1 A 44 44 CYS CA C 26 62.696 57.326 5.370 1
1 268 . 2 1 1 A 44 44 CYS CB C 26 29.671 29.390 0.281 1
1 269 . 2 1 1 A 44 44 CYS N N 26 124.265 121.413 2.852 1
1 270 . 2 1 1 A 45 45 THR H H 27 7.872 8.743 -0.871 1
1 271 . 2 1 1 A 45 45 THR HA H 27 4.511 4.369 0.142 1
1 276 . 2 1 1 A 45 45 THR C C 27 174.969 174.682 0.287 1
1 277 . 2 1 1 A 45 45 THR CA C 27 61.113 62.863 -1.750 1
1 278 . 2 1 1 A 45 45 THR CB C 27 69.834 69.262 0.572 1
1 280 . 2 1 1 A 45 45 THR N N 27 115.292 117.930 -2.638 1
1 281 . 2 1 1 A 46 46 ASN H H 28 9.336 7.885 1.451 1
1 282 . 2 1 1 A 46 46 ASN HA H 28 4.430 4.805 -0.375 1
1 287 . 2 1 1 A 46 46 ASN C C 28 174.273 176.445 -2.172 1
1 288 . 2 1 1 A 46 46 ASN CA C 28 53.144 52.499 0.645 1
1 289 . 2 1 1 A 46 46 ASN CB C 28 38.500 39.288 -0.788 1
1 290 . 2 1 1 A 46 46 ASN N N 28 127.779 122.107 5.672 1
1 292 . 2 1 1 A 47 47 GLU H H 29 8.499 8.809 -0.310 1
1 293 . 2 1 1 A 47 47 GLU HA H 29 4.006 4.139 -0.133 1
1 298 . 2 1 1 A 47 47 GLU C C 29 175.815 177.135 -1.320 1
1 299 . 2 1 1 A 47 47 GLU CA C 29 58.111 58.643 -0.532 1
1 300 . 2 1 1 A 47 47 GLU CB C 29 29.070 28.956 0.114 1
1 302 . 2 1 1 A 47 47 GLU N N 29 123.804 125.702 -1.898 1
1 303 . 2 1 1 A 48 48 PHE H H 30 7.423 7.570 -0.147 1
1 304 . 2 1 1 A 48 48 PHE HA H 30 4.860 4.864 -0.004 1
1 311 . 2 1 1 A 48 48 PHE C C 30 171.980 174.941 -2.961 1
1 312 . 2 1 1 A 48 48 PHE CA C 30 56.336 57.630 -1.294 1
1 313 . 2 1 1 A 48 48 PHE CB C 30 38.132 38.372 -0.240 1
1 316 . 2 1 1 A 48 48 PHE N N 30 117.186 117.883 -0.697 1
1 317 . 2 1 1 A 49 49 CYS H H 31 7.420 7.336 0.084 1
1 318 . 2 1 1 A 49 49 CYS HA H 31 4.264 4.734 -0.470 1
1 321 . 2 1 1 A 49 49 CYS C C 31 174.436 173.062 1.374 1
1 322 . 2 1 1 A 49 49 CYS CA C 31 57.047 57.311 -0.264 1
1 323 . 2 1 1 A 49 49 CYS CB C 31 33.492 30.942 2.550 1
1 324 . 2 1 1 A 49 49 CYS N N 31 121.843 118.512 3.331 1
1 325 . 2 1 1 A 50 50 ALA H H 32 7.949 8.182 -0.233 1
1 326 . 2 1 1 A 50 50 ALA HA H 32 2.992 3.698 -0.706 1
1 330 . 2 1 1 A 50 50 ALA C C 32 178.762 177.866 0.896 1
1 331 . 2 1 1 A 50 50 ALA CA C 32 53.007 51.678 1.329 1
1 332 . 2 1 1 A 50 50 ALA CB C 32 17.007 19.475 -2.468 1
1 333 . 2 1 1 A 50 50 ALA N N 32 128.103 126.961 1.142 1
1 334 . 2 1 1 A 51 51 SER H H 33 9.507 8.697 0.810 1
1 335 . 2 1 1 A 51 51 SER HA H 33 4.299 4.059 0.240 1
1 338 . 2 1 1 A 51 51 SER C C 33 173.399 173.702 -0.303 1
1 339 . 2 1 1 A 51 51 SER CA C 33 60.840 60.511 0.329 1
1 340 . 2 1 1 A 51 51 SER CB C 33 63.679 61.726 1.953 1
1 341 . 2 1 1 A 51 51 SER N N 33 119.062 111.525 7.537 1
1 342 . 2 1 1 A 52 52 CYS H H 34 7.978 7.821 0.157 1
1 343 . 2 1 1 A 52 52 CYS HA H 34 4.652 4.766 -0.114 1
1 346 . 2 1 1 A 52 52 CYS CA C 34 55.835 57.188 -1.353 1
1 347 . 2 1 1 A 52 52 CYS CB C 34 27.879 28.529 -0.650 1
1 348 . 2 1 1 A 52 52 CYS N N 34 124.589 119.383 5.206 1
1 349 . 2 1 1 A 53 53 PRO HA H 35 4.393 4.336 0.057 1
1 356 . 2 1 1 A 53 53 PRO C C 35 177.889 177.447 0.442 1
1 357 . 2 1 1 A 53 53 PRO CA C 35 65.180 65.037 0.143 1
1 358 . 2 1 1 A 53 53 PRO CB C 35 32.850 31.819 1.031 1
1 361 . 2 1 1 A 54 54 THR H H 36 7.507 7.687 -0.180 1
1 362 . 2 1 1 A 54 54 THR HA H 36 4.314 4.376 -0.062 1
1 367 . 2 1 1 A 54 54 THR C C 36 174.177 174.796 -0.619 1
1 368 . 2 1 1 A 54 54 THR CA C 36 61.195 62.055 -0.860 1
1 369 . 2 1 1 A 54 54 THR CB C 36 68.101 69.238 -1.137 1
1 371 . 2 1 1 A 54 54 THR N N 36 107.002 108.016 -1.014 1
1 372 . 2 1 1 A 55 55 PHE H H 37 7.716 7.505 0.211 1
1 373 . 2 1 1 A 55 55 PHE HA H 37 4.204 4.754 -0.550 1
1 380 . 2 1 1 A 55 55 PHE C C 37 175.228 174.228 1.000 1
1 381 . 2 1 1 A 55 55 PHE CA C 37 58.875 58.442 0.433 1
1 382 . 2 1 1 A 55 55 PHE CB C 37 40.942 39.891 1.051 1
1 385 . 2 1 1 A 55 55 PHE N N 37 124.794 124.074 0.720 1
1 386 . 2 1 1 A 56 56 LEU H H 38 7.490 8.299 -0.809 1
1 387 . 2 1 1 A 56 56 LEU HA H 38 4.310 4.677 -0.367 1
1 397 . 2 1 1 A 56 56 LEU C C 38 174.300 175.311 -1.011 1
1 398 . 2 1 1 A 56 56 LEU CA C 38 53.416 53.427 -0.011 1
1 399 . 2 1 1 A 56 56 LEU CB C 38 41.386 43.737 -2.351 1
1 403 . 2 1 1 A 56 56 LEU N N 38 130.713 128.682 2.031 1
1 404 . 2 1 1 A 57 57 ARG H H 39 7.930 8.230 -0.300 1
1 405 . 2 1 1 A 57 57 ARG HA H 39 3.994 4.142 -0.148 1
1 412 . 2 1 1 A 57 57 ARG CA C 39 57.374 56.547 0.827 1
1 413 . 2 1 1 A 57 57 ARG CB C 39 30.517 30.502 0.015 1
1 416 . 2 1 1 A 57 57 ARG N N 39 122.866 126.301 -3.435 1
1 417 . 2 1 1 A 58 58 MET H H 40 8.408 8.933 -0.525 1
1 418 . 2 1 1 A 58 58 MET HA H 40 4.706 5.332 -0.626 1
1 423 . 2 1 1 A 58 58 MET C C 40 175.160 174.762 0.398 1
1 424 . 2 1 1 A 58 58 MET CA C 40 53.908 53.753 0.155 1
1 425 . 2 1 1 A 58 58 MET CB C 40 36.603 34.887 1.716 1
1 427 . 2 1 1 A 58 58 MET N N 40 121.024 120.947 0.077 1
1 428 . 2 1 1 A 59 59 ASP H H 41 8.419 8.961 -0.542 1
1 429 . 2 1 1 A 59 59 ASP HA H 41 4.588 4.952 -0.364 1
1 432 . 2 1 1 A 59 59 ASP CA C 41 53.699 53.067 0.632 1
1 433 . 2 1 1 A 59 59 ASP CB C 41 41.540 42.120 -0.580 1
1 434 . 2 1 1 A 59 59 ASP N N 41 120.478 123.260 -2.782 1
1 435 . 2 1 1 A 60 60 ASN HA H 42 4.317 4.551 -0.234 1
1 440 . 2 1 1 A 60 60 ASN C C 42 177.739 177.747 -0.008 1
1 441 . 2 1 1 A 60 60 ASN CA C 42 56.637 56.357 0.280 1
1 442 . 2 1 1 A 60 60 ASN CB C 42 37.586 37.883 -0.297 1
1 444 . 2 1 1 A 61 61 ASN H H 43 8.442 7.897 0.545 1
1 445 . 2 1 1 A 61 61 ASN HA H 43 4.450 4.505 -0.055 1
1 448 . 2 1 1 A 61 61 ASN C C 43 177.439 177.655 -0.216 1
1 449 . 2 1 1 A 61 61 ASN CA C 43 56.528 56.001 0.527 1
1 450 . 2 1 1 A 61 61 ASN CB C 43 38.023 38.260 -0.237 1
1 451 . 2 1 1 A 61 61 ASN N N 43 118.960 118.657 0.303 1
1 452 . 2 1 1 A 62 62 ALA H H 44 8.229 8.131 0.098 1
1 453 . 2 1 1 A 62 62 ALA HA H 44 4.102 4.089 0.013 1
1 457 . 2 1 1 A 62 62 ALA C C 44 180.973 179.938 1.035 1
1 458 . 2 1 1 A 62 62 ALA CA C 44 54.672 54.849 -0.177 1
1 459 . 2 1 1 A 62 62 ALA CB C 44 18.466 18.271 0.195 1
1 460 . 2 1 1 A 62 62 ALA N N 44 123.651 122.500 1.151 1
1 461 . 2 1 1 A 63 63 ALA H H 45 8.779 7.970 0.809 1
1 462 . 2 1 1 A 63 63 ALA HA H 45 4.238 4.314 -0.076 1
1 466 . 2 1 1 A 63 63 ALA C C 45 178.680 179.826 -1.146 1
1 467 . 2 1 1 A 63 63 ALA CA C 45 54.945 54.131 0.814 1
1 468 . 2 1 1 A 63 63 ALA CB C 45 18.685 18.875 -0.190 1
1 469 . 2 1 1 A 63 63 ALA N N 45 121.928 119.324 2.604 1
1 470 . 2 1 1 A 64 64 ALA H H 46 8.024 8.049 -0.025 1
1 471 . 2 1 1 A 64 64 ALA HA H 46 4.109 4.251 -0.142 1
1 475 . 2 1 1 A 64 64 ALA C C 46 179.731 179.633 0.098 1
1 476 . 2 1 1 A 64 64 ALA CA C 46 55.873 55.228 0.645 1
1 477 . 2 1 1 A 64 64 ALA CB C 46 17.853 18.261 -0.408 1
1 478 . 2 1 1 A 64 64 ALA N N 46 121.126 119.959 1.167 1
1 479 . 2 1 1 A 65 65 ILE H H 47 7.220 7.790 -0.570 1
1 480 . 2 1 1 A 65 65 ILE HA H 47 3.740 3.626 0.114 1
1 490 . 2 1 1 A 65 65 ILE C C 47 179.049 178.361 0.688 1
1 491 . 2 1 1 A 65 65 ILE CA C 47 64.061 65.566 -1.505 1
1 492 . 2 1 1 A 65 65 ILE CB C 47 38.528 38.018 0.510 1
1 496 . 2 1 1 A 65 65 ILE N N 47 117.953 118.334 -0.381 1
1 497 . 2 1 1 A 66 66 LYS H H 48 8.363 7.921 0.442 1
1 498 . 2 1 1 A 66 66 LYS HA H 48 4.062 4.071 -0.009 1
1 507 . 2 1 1 A 66 66 LYS C C 48 177.739 179.046 -1.307 1
1 508 . 2 1 1 A 66 66 LYS CA C 48 57.074 58.580 -1.506 1
1 509 . 2 1 1 A 66 66 LYS CB C 48 31.472 31.835 -0.363 1
1 513 . 2 1 1 A 66 66 LYS N N 48 121.894 120.764 1.130 1
1 514 . 2 1 1 A 67 67 ALA H H 49 8.730 8.277 0.453 1
1 515 . 2 1 1 A 67 67 ALA HA H 49 3.682 4.161 -0.479 1
1 519 . 2 1 1 A 67 67 ALA C C 49 178.339 180.325 -1.986 1
1 520 . 2 1 1 A 67 67 ALA CA C 49 56.037 55.116 0.921 1
1 521 . 2 1 1 A 67 67 ALA CB C 49 18.126 18.350 -0.224 1
1 522 . 2 1 1 A 67 67 ALA N N 49 121.723 122.214 -0.491 1
1 523 . 2 1 1 A 68 68 LEU H H 50 6.888 7.943 -1.055 1
1 524 . 2 1 1 A 68 68 LEU HA H 50 4.020 4.062 -0.042 1
1 534 . 2 1 1 A 68 68 LEU C C 50 178.776 179.299 -0.523 1
1 535 . 2 1 1 A 68 68 LEU CA C 50 57.892 57.769 0.123 1
1 536 . 2 1 1 A 68 68 LEU CB C 50 41.832 41.285 0.547 1
1 540 . 2 1 1 A 68 68 LEU N N 50 115.156 118.622 -3.466 1
1 541 . 2 1 1 A 69 69 GLU H H 51 7.216 7.892 -0.676 1
1 542 . 2 1 1 A 69 69 GLU HA H 51 3.836 4.015 -0.179 1
1 547 . 2 1 1 A 69 69 GLU C C 51 178.721 178.993 -0.272 1
1 548 . 2 1 1 A 69 69 GLU CA C 51 59.257 59.343 -0.086 1
1 549 . 2 1 1 A 69 69 GLU CB C 51 29.343 29.201 0.142 1
1 551 . 2 1 1 A 69 69 GLU N N 51 119.727 119.010 0.717 1
1 552 . 2 1 1 A 70 70 LEU H H 52 8.326 8.035 0.291 1
1 553 . 2 1 1 A 70 70 LEU HA H 52 3.501 3.807 -0.306 1
1 563 . 2 1 1 A 70 70 LEU C C 52 178.421 178.481 -0.060 1
1 564 . 2 1 1 A 70 70 LEU CA C 52 56.814 57.060 -0.246 1
1 565 . 2 1 1 A 70 70 LEU CB C 52 39.497 40.728 -1.231 1
1 569 . 2 1 1 A 70 70 LEU N N 52 117.442 119.140 -1.698 1
1 570 . 2 1 1 A 71 71 TYR H H 53 7.440 7.710 -0.270 1
1 571 . 2 1 1 A 71 71 TYR HA H 53 4.010 3.844 0.166 1
1 578 . 2 1 1 A 71 71 TYR C C 53 177.602 177.913 -0.311 1
1 579 . 2 1 1 A 71 71 TYR CA C 53 60.751 61.323 -0.572 1
1 580 . 2 1 1 A 71 71 TYR CB C 53 38.221 38.483 -0.262 1
1 583 . 2 1 1 A 71 71 TYR N N 53 118.670 120.693 -2.023 1
1 584 . 2 1 1 A 72 72 LYS H H 54 7.720 8.070 -0.350 1
1 585 . 2 1 1 A 72 72 LYS HA H 54 3.543 3.769 -0.226 1
1 594 . 2 1 1 A 72 72 LYS C C 54 178.216 177.846 0.370 1
1 595 . 2 1 1 A 72 72 LYS CA C 54 59.475 58.736 0.739 1
1 596 . 2 1 1 A 72 72 LYS CB C 54 32.400 31.689 0.711 1
1 600 . 2 1 1 A 72 72 LYS N N 54 120.512 118.211 2.301 1
1 601 . 2 1 1 A 73 73 ILE H H 55 7.265 7.230 0.035 1
1 602 . 2 1 1 A 73 73 ILE HA H 55 4.327 4.063 0.264 1
1 610 . 2 1 1 A 73 73 ILE CA C 55 60.625 61.083 -0.458 1
1 611 . 2 1 1 A 73 73 ILE CB C 55 38.244 38.415 -0.171 1
1 614 . 2 1 1 A 73 73 ILE N N 55 109.032 115.710 -6.678 1
1 615 . 2 1 1 A 74 74 ASN HA H 56 4.225 4.313 -0.088 1
1 620 . 2 1 1 A 74 74 ASN C C 56 174.532 174.390 0.142 1
1 621 . 2 1 1 A 74 74 ASN CA C 56 53.853 54.382 -0.529 1
1 622 . 2 1 1 A 74 74 ASN CB C 56 37.027 36.626 0.401 1
1 624 . 2 1 1 A 75 75 ALA H H 57 7.653 7.774 -0.121 1
1 625 . 2 1 1 A 75 75 ALA HA H 57 4.126 4.398 -0.272 1
1 629 . 2 1 1 A 75 75 ALA C C 57 177.848 177.221 0.627 1
1 630 . 2 1 1 A 75 75 ALA CA C 57 51.969 51.698 0.271 1
1 631 . 2 1 1 A 75 75 ALA CB C 57 20.500 20.355 0.145 1
1 632 . 2 1 1 A 75 75 ALA N N 57 119.216 119.314 -0.098 1
1 633 . 2 1 1 A 76 76 LYS H H 58 8.612 8.549 0.063 1
1 634 . 2 1 1 A 76 76 LYS HA H 58 3.999 4.428 -0.429 1
1 643 . 2 1 1 A 76 76 LYS C C 58 176.142 176.061 0.081 1
1 644 . 2 1 1 A 76 76 LYS CA C 58 58.220 56.266 1.954 1
1 645 . 2 1 1 A 76 76 LYS CB C 58 32.673 32.542 0.131 1
1 649 . 2 1 1 A 76 76 LYS N N 58 122.696 119.818 2.878 1
1 650 . 2 1 1 A 77 77 LEU H H 59 8.427 8.691 -0.264 1
1 651 . 2 1 1 A 77 77 LEU HA H 59 4.954 4.926 0.028 1
1 661 . 2 1 1 A 77 77 LEU C C 59 177.712 177.935 -0.223 1
1 662 . 2 1 1 A 77 77 LEU CA C 59 52.843 54.441 -1.598 1
1 663 . 2 1 1 A 77 77 LEU CB C 59 43.611 43.925 -0.314 1
1 667 . 2 1 1 A 77 77 LEU N N 59 129.775 126.724 3.051 1
1 668 . 2 1 1 A 78 78 CYS H H 60 8.573 8.648 -0.075 1
1 669 . 2 1 1 A 78 78 CYS HA H 60 3.938 4.538 -0.600 1
1 672 . 2 1 1 A 78 78 CYS C C 60 176.265 174.000 2.265 1
1 673 . 2 1 1 A 78 78 CYS CA C 60 61.768 58.807 2.961 1
1 674 . 2 1 1 A 78 78 CYS CB C 60 31.103 27.974 3.129 1
1 675 . 2 1 1 A 78 78 CYS N N 60 126.244 125.125 1.119 1
1 676 . 2 1 1 A 79 79 ASP H H 61 8.570 7.353 1.217 1
1 677 . 2 1 1 A 79 79 ASP HA H 61 4.765 4.504 0.261 1
1 680 . 2 1 1 A 79 79 ASP CA C 61 52.464 52.000 0.464 1
1 681 . 2 1 1 A 79 79 ASP CB C 61 40.598 41.715 -1.117 1
1 682 . 2 1 1 A 79 79 ASP N N 61 123.037 121.275 1.762 1
1 683 . 2 1 1 A 80 80 PRO HA H 62 4.351 4.586 -0.235 1
1 690 . 2 1 1 A 80 80 PRO C C 62 175.296 176.115 -0.819 1
1 691 . 2 1 1 A 80 80 PRO CA C 62 63.419 62.581 0.838 1
1 692 . 2 1 1 A 80 80 PRO CB C 62 31.963 31.766 0.197 1
1 695 . 2 1 1 A 81 81 HIS H H 63 8.283 8.241 0.042 1
1 696 . 2 1 1 A 81 81 HIS HA H 63 4.737 4.915 -0.178 1
1 697 . 2 1 1 A 81 81 HIS CA C 63 54.272 54.469 -0.197 1
1 698 . 2 1 1 A 81 81 HIS N N 63 122.934 122.068 0.866 1
1 1 . 3 1 1 A 20 20 LYS HA H 2 4.205 4.328 -0.123 1
1 8 . 3 1 1 A 20 20 LYS C C 2 176.538 175.412 1.126 1
1 9 . 3 1 1 A 20 20 LYS CA C 2 56.364 55.612 0.752 1
1 10 . 3 1 1 A 20 20 LYS CB C 2 30.708 31.857 -1.149 1
1 13 . 3 1 1 A 21 21 ARG H H 3 8.541 8.423 0.118 1
1 14 . 3 1 1 A 21 21 ARG N N 3 120.785 127.243 -6.458 1
1 15 . 3 1 1 A 22 22 ALA HA H 4 4.082 3.870 0.212 1
1 19 . 3 1 1 A 22 22 ALA CA C 4 54.047 54.956 -0.909 1
1 20 . 3 1 1 A 22 22 ALA CB C 4 18.824 17.866 0.958 1
1 21 . 3 1 1 A 23 23 ALA HA H 5 4.177 4.073 0.104 1
1 25 . 3 1 1 A 23 23 ALA C C 5 178.940 178.763 0.177 1
1 26 . 3 1 1 A 23 23 ALA CA C 5 53.798 54.631 -0.833 1
1 27 . 3 1 1 A 23 23 ALA CB C 5 18.753 18.274 0.479 1
1 28 . 3 1 1 A 24 24 ALA H H 6 7.783 7.853 -0.070 1
1 29 . 3 1 1 A 24 24 ALA HA H 6 4.007 4.127 -0.120 1
1 33 . 3 1 1 A 24 24 ALA C C 6 178.203 179.696 -1.493 1
1 34 . 3 1 1 A 24 24 ALA CA C 6 54.590 55.070 -0.480 1
1 35 . 3 1 1 A 24 24 ALA CB C 6 18.494 18.002 0.492 1
1 36 . 3 1 1 A 24 24 ALA N N 6 121.484 120.967 0.517 1
1 37 . 3 1 1 A 25 25 LYS H H 7 7.921 7.967 -0.046 1
1 38 . 3 1 1 A 25 25 LYS HA H 7 3.723 4.004 -0.281 1
1 47 . 3 1 1 A 25 25 LYS C C 7 178.121 179.525 -1.404 1
1 48 . 3 1 1 A 25 25 LYS CA C 7 59.475 59.028 0.447 1
1 49 . 3 1 1 A 25 25 LYS CB C 7 32.382 32.095 0.287 1
1 53 . 3 1 1 A 25 25 LYS N N 7 117.083 118.131 -1.048 1
1 54 . 3 1 1 A 26 26 HIS H H 8 7.810 7.914 -0.104 1
1 55 . 3 1 1 A 26 26 HIS HA H 8 4.327 4.324 0.003 1
1 58 . 3 1 1 A 26 26 HIS C C 8 175.774 177.978 -2.204 1
1 59 . 3 1 1 A 26 26 HIS CA C 8 58.657 59.690 -1.033 1
1 60 . 3 1 1 A 26 26 HIS CB C 8 30.271 29.783 0.488 1
1 61 . 3 1 1 A 26 26 HIS N N 8 117.117 119.050 -1.933 1
1 62 . 3 1 1 A 27 27 LEU H H 9 7.710 7.879 -0.169 1
1 63 . 3 1 1 A 27 27 LEU HA H 9 3.921 4.043 -0.122 1
1 72 . 3 1 1 A 27 27 LEU C C 9 178.585 178.759 -0.174 1
1 73 . 3 1 1 A 27 27 LEU CA C 9 58.002 58.022 -0.020 1
1 74 . 3 1 1 A 27 27 LEU CB C 9 42.288 41.733 0.555 1
1 77 . 3 1 1 A 27 27 LEU N N 9 120.717 119.130 1.587 1
1 78 . 3 1 1 A 28 28 ILE H H 10 8.559 7.957 0.602 1
1 79 . 3 1 1 A 28 28 ILE HA H 10 3.656 3.640 0.016 1
1 89 . 3 1 1 A 28 28 ILE C C 10 178.148 178.141 0.007 1
1 90 . 3 1 1 A 28 28 ILE CA C 10 66.845 64.920 1.925 1
1 91 . 3 1 1 A 28 28 ILE CB C 10 37.913 37.322 0.591 1
1 95 . 3 1 1 A 28 28 ILE N N 10 120.086 120.062 0.024 1
1 96 . 3 1 1 A 29 29 GLU H H 11 7.849 8.117 -0.268 1
1 97 . 3 1 1 A 29 29 GLU HA H 11 4.013 4.109 -0.096 1
1 102 . 3 1 1 A 29 29 GLU C C 11 179.376 179.337 0.039 1
1 103 . 3 1 1 A 29 29 GLU CA C 11 59.584 59.371 0.213 1
1 104 . 3 1 1 A 29 29 GLU CB C 11 29.070 28.991 0.079 1
1 106 . 3 1 1 A 29 29 GLU N N 11 118.346 119.808 -1.462 1
1 107 . 3 1 1 A 30 30 ARG H H 12 7.839 7.685 0.154 1
1 108 . 3 1 1 A 30 30 ARG HA H 12 4.064 3.990 0.074 1
1 115 . 3 1 1 A 30 30 ARG C C 12 180.318 178.723 1.595 1
1 116 . 3 1 1 A 30 30 ARG CA C 12 59.585 59.684 -0.099 1
1 117 . 3 1 1 A 30 30 ARG CB C 12 29.234 29.990 -0.756 1
1 120 . 3 1 1 A 30 30 ARG N N 12 120.904 120.313 0.591 1
1 121 . 3 1 1 A 31 31 TYR H H 13 8.545 8.027 0.518 1
1 122 . 3 1 1 A 31 31 TYR HA H 13 4.064 4.271 -0.207 1
1 129 . 3 1 1 A 31 31 TYR C C 13 177.725 178.590 -0.865 1
1 130 . 3 1 1 A 31 31 TYR CA C 13 63.351 60.248 3.103 1
1 131 . 3 1 1 A 31 31 TYR CB C 13 38.623 38.022 0.601 1
1 134 . 3 1 1 A 31 31 TYR N N 13 120.393 119.915 0.478 1
1 135 . 3 1 1 A 32 32 TYR H H 14 8.783 8.506 0.277 1
1 136 . 3 1 1 A 32 32 TYR HA H 14 3.948 4.282 -0.334 1
1 143 . 3 1 1 A 32 32 TYR C C 14 178.599 177.483 1.116 1
1 144 . 3 1 1 A 32 32 TYR CA C 14 62.669 61.930 0.739 1
1 145 . 3 1 1 A 32 32 TYR CB C 14 38.350 38.620 -0.270 1
1 148 . 3 1 1 A 32 32 TYR N N 14 120.342 120.055 0.287 1
1 149 . 3 1 1 A 33 33 HIS H H 15 8.740 8.307 0.433 1
1 150 . 3 1 1 A 33 33 HIS HA H 15 3.906 4.055 -0.149 1
1 153 . 3 1 1 A 33 33 HIS C C 15 177.834 176.861 0.973 1
1 154 . 3 1 1 A 33 33 HIS CA C 15 60.622 59.866 0.756 1
1 155 . 3 1 1 A 33 33 HIS CB C 15 30.599 29.737 0.862 1
1 156 . 3 1 1 A 33 33 HIS N N 15 121.297 119.194 2.103 1
1 157 . 3 1 1 A 34 34 GLN H H 16 8.371 8.163 0.208 1
1 158 . 3 1 1 A 34 34 GLN HA H 16 3.709 3.916 -0.207 1
1 165 . 3 1 1 A 34 34 GLN C C 16 176.238 178.036 -1.798 1
1 166 . 3 1 1 A 34 34 GLN CA C 16 60.185 58.731 1.454 1
1 167 . 3 1 1 A 34 34 GLN CB C 16 30.653 28.068 2.585 1
1 169 . 3 1 1 A 34 34 GLN N N 16 122.576 118.403 4.173 1
1 171 . 3 1 1 A 35 35 LEU H H 17 7.916 7.677 0.239 1
1 172 . 3 1 1 A 35 35 LEU HA H 17 3.978 4.173 -0.195 1
1 182 . 3 1 1 A 35 35 LEU C C 17 175.624 179.384 -3.760 1
1 183 . 3 1 1 A 35 35 LEU CA C 17 56.377 57.464 -1.087 1
1 184 . 3 1 1 A 35 35 LEU CB C 17 45.098 42.558 2.540 1
1 188 . 3 1 1 A 35 35 LEU N N 17 116.299 119.209 -2.910 1
1 189 . 3 1 1 A 36 36 THR H H 18 7.148 7.794 -0.646 1
1 190 . 3 1 1 A 36 36 THR HA H 18 4.215 4.019 0.196 1
1 195 . 3 1 1 A 36 36 THR C C 18 174.709 175.452 -0.743 1
1 196 . 3 1 1 A 36 36 THR CA C 18 61.522 64.694 -3.172 1
1 197 . 3 1 1 A 36 36 THR CB C 18 70.434 68.772 1.662 1
1 199 . 3 1 1 A 36 36 THR N N 18 105.023 109.382 -4.359 1
1 200 . 3 1 1 A 37 37 GLU H H 19 8.234 7.670 0.564 1
1 201 . 3 1 1 A 37 37 GLU HA H 19 4.187 4.298 -0.111 1
1 206 . 3 1 1 A 37 37 GLU C C 19 177.657 177.092 0.565 1
1 207 . 3 1 1 A 37 37 GLU CA C 19 56.855 56.764 0.091 1
1 208 . 3 1 1 A 37 37 GLU CB C 19 30.872 31.133 -0.261 1
1 210 . 3 1 1 A 37 37 GLU N N 19 122.559 118.864 3.695 1
1 211 . 3 1 1 A 38 38 GLY H H 20 7.485 7.731 -0.246 1
1 212 . 3 1 1 A 38 38 GLY HA2 H 20 4.586 3.937 0.649 1
1 213 . 3 1 1 A 38 38 GLY HA3 H 20 4.358 3.968 0.390 1
1 214 . 3 1 1 A 38 38 GLY C C 20 172.976 174.098 -1.122 1
1 215 . 3 1 1 A 38 38 GLY CA C 20 44.177 44.136 0.041 1
1 216 . 3 1 1 A 38 38 GLY N N 20 107.019 105.817 1.202 1
1 217 . 3 1 1 A 39 39 CYS H H 21 7.410 8.164 -0.754 1
1 218 . 3 1 1 A 39 39 CYS HA H 21 4.498 4.729 -0.231 1
1 221 . 3 1 1 A 39 39 CYS C C 21 176.865 175.857 1.008 1
1 222 . 3 1 1 A 39 39 CYS CA C 21 58.493 58.428 0.065 1
1 223 . 3 1 1 A 39 39 CYS CB C 21 31.636 29.195 2.441 1
1 224 . 3 1 1 A 39 39 CYS N N 21 118.260 122.312 -4.052 1
1 225 . 3 1 1 A 40 40 GLY H H 22 8.670 8.195 0.475 1
1 226 . 3 1 1 A 40 40 GLY HA2 H 22 4.260 3.965 0.295 1
1 227 . 3 1 1 A 40 40 GLY HA3 H 22 3.505 3.970 -0.465 1
1 228 . 3 1 1 A 40 40 GLY C C 22 173.618 174.650 -1.032 1
1 229 . 3 1 1 A 40 40 GLY CA C 22 45.188 44.995 0.193 1
1 230 . 3 1 1 A 40 40 GLY N N 22 112.324 110.485 1.839 1
1 231 . 3 1 1 A 41 41 ASN H H 23 8.379 7.984 0.395 1
1 232 . 3 1 1 A 41 41 ASN HA H 23 4.452 4.699 -0.247 1
1 237 . 3 1 1 A 41 41 ASN C C 23 175.132 176.011 -0.879 1
1 238 . 3 1 1 A 41 41 ASN CA C 23 52.106 54.129 -2.023 1
1 239 . 3 1 1 A 41 41 ASN CB C 23 38.678 38.656 0.022 1
1 240 . 3 1 1 A 41 41 ASN N N 23 122.184 119.409 2.775 1
1 242 . 3 1 1 A 42 42 GLU H H 24 8.769 8.895 -0.126 1
1 243 . 3 1 1 A 42 42 GLU HA H 24 4.167 4.084 0.083 1
1 248 . 3 1 1 A 42 42 GLU C C 24 175.801 176.428 -0.627 1
1 249 . 3 1 1 A 42 42 GLU CA C 24 57.947 59.180 -1.233 1
1 250 . 3 1 1 A 42 42 GLU CB C 24 29.016 29.680 -0.664 1
1 252 . 3 1 1 A 42 42 GLU N N 24 124.589 125.974 -1.385 1
1 253 . 3 1 1 A 43 43 ALA H H 25 7.839 7.565 0.274 1
1 254 . 3 1 1 A 43 43 ALA HA H 25 4.381 4.637 -0.256 1
1 258 . 3 1 1 A 43 43 ALA C C 25 175.842 176.204 -0.362 1
1 259 . 3 1 1 A 43 43 ALA CA C 25 50.319 50.796 -0.477 1
1 260 . 3 1 1 A 43 43 ALA CB C 25 18.563 19.426 -0.863 1
1 261 . 3 1 1 A 43 43 ALA N N 25 121.706 120.689 1.017 1
1 262 . 3 1 1 A 44 44 CYS H H 26 7.350 9.019 -1.669 1
1 263 . 3 1 1 A 44 44 CYS HA H 26 3.757 5.198 -1.441 1
1 266 . 3 1 1 A 44 44 CYS C C 26 176.019 173.347 2.672 1
1 267 . 3 1 1 A 44 44 CYS CA C 26 62.696 57.709 4.987 1
1 268 . 3 1 1 A 44 44 CYS CB C 26 29.671 30.708 -1.037 1
1 269 . 3 1 1 A 44 44 CYS N N 26 124.265 123.470 0.795 1
1 270 . 3 1 1 A 45 45 THR H H 27 7.872 8.697 -0.825 1
1 271 . 3 1 1 A 45 45 THR HA H 27 4.511 4.759 -0.248 1
1 276 . 3 1 1 A 45 45 THR C C 27 174.969 172.914 2.055 1
1 277 . 3 1 1 A 45 45 THR CA C 27 61.113 61.795 -0.682 1
1 278 . 3 1 1 A 45 45 THR CB C 27 69.834 68.834 1.000 1
1 280 . 3 1 1 A 45 45 THR N N 27 115.292 122.660 -7.368 1
1 281 . 3 1 1 A 46 46 ASN H H 28 9.336 8.272 1.064 1
1 282 . 3 1 1 A 46 46 ASN HA H 28 4.430 4.961 -0.531 1
1 287 . 3 1 1 A 46 46 ASN C C 28 174.273 174.885 -0.612 1
1 288 . 3 1 1 A 46 46 ASN CA C 28 53.144 53.145 -0.001 1
1 289 . 3 1 1 A 46 46 ASN CB C 28 38.500 40.946 -2.446 1
1 290 . 3 1 1 A 46 46 ASN N N 28 127.779 125.080 2.699 1
1 292 . 3 1 1 A 47 47 GLU H H 29 8.499 9.020 -0.521 1
1 293 . 3 1 1 A 47 47 GLU HA H 29 4.006 4.240 -0.234 1
1 298 . 3 1 1 A 47 47 GLU C C 29 175.815 176.560 -0.745 1
1 299 . 3 1 1 A 47 47 GLU CA C 29 58.111 58.409 -0.298 1
1 300 . 3 1 1 A 47 47 GLU CB C 29 29.070 28.716 0.354 1
1 302 . 3 1 1 A 47 47 GLU N N 29 123.804 125.008 -1.204 1
1 303 . 3 1 1 A 48 48 PHE H H 30 7.423 7.709 -0.286 1
1 304 . 3 1 1 A 48 48 PHE HA H 30 4.860 4.937 -0.077 1
1 311 . 3 1 1 A 48 48 PHE C C 30 171.980 175.363 -3.383 1
1 312 . 3 1 1 A 48 48 PHE CA C 30 56.336 57.650 -1.314 1
1 313 . 3 1 1 A 48 48 PHE CB C 30 38.132 39.694 -1.562 1
1 316 . 3 1 1 A 48 48 PHE N N 30 117.186 117.702 -0.516 1
1 317 . 3 1 1 A 49 49 CYS H H 31 7.420 7.534 -0.114 1
1 318 . 3 1 1 A 49 49 CYS HA H 31 4.264 4.572 -0.308 1
1 321 . 3 1 1 A 49 49 CYS C C 31 174.436 173.433 1.003 1
1 322 . 3 1 1 A 49 49 CYS CA C 31 57.047 57.015 0.032 1
1 323 . 3 1 1 A 49 49 CYS CB C 31 33.492 30.149 3.343 1
1 324 . 3 1 1 A 49 49 CYS N N 31 121.843 119.329 2.514 1
1 325 . 3 1 1 A 50 50 ALA H H 32 7.949 8.294 -0.345 1
1 326 . 3 1 1 A 50 50 ALA HA H 32 2.992 2.963 0.029 1
1 330 . 3 1 1 A 50 50 ALA C C 32 178.762 177.976 0.786 1
1 331 . 3 1 1 A 50 50 ALA CA C 32 53.007 51.767 1.240 1
1 332 . 3 1 1 A 50 50 ALA CB C 32 17.007 18.946 -1.939 1
1 333 . 3 1 1 A 50 50 ALA N N 32 128.103 127.288 0.815 1
1 334 . 3 1 1 A 51 51 SER H H 33 9.507 8.736 0.771 1
1 335 . 3 1 1 A 51 51 SER HA H 33 4.299 4.085 0.214 1
1 338 . 3 1 1 A 51 51 SER C C 33 173.399 173.644 -0.245 1
1 339 . 3 1 1 A 51 51 SER CA C 33 60.840 60.514 0.326 1
1 340 . 3 1 1 A 51 51 SER CB C 33 63.679 61.674 2.005 1
1 341 . 3 1 1 A 51 51 SER N N 33 119.062 111.862 7.200 1
1 342 . 3 1 1 A 52 52 CYS H H 34 7.978 7.254 0.724 1
1 343 . 3 1 1 A 52 52 CYS HA H 34 4.652 4.653 -0.001 1
1 346 . 3 1 1 A 52 52 CYS CA C 34 55.835 58.162 -2.327 1
1 347 . 3 1 1 A 52 52 CYS CB C 34 27.879 27.703 0.176 1
1 348 . 3 1 1 A 52 52 CYS N N 34 124.589 119.958 4.631 1
1 349 . 3 1 1 A 53 53 PRO HA H 35 4.393 4.384 0.009 1
1 356 . 3 1 1 A 53 53 PRO C C 35 177.889 177.555 0.334 1
1 357 . 3 1 1 A 53 53 PRO CA C 35 65.180 65.630 -0.450 1
1 358 . 3 1 1 A 53 53 PRO CB C 35 32.850 31.768 1.082 1
1 361 . 3 1 1 A 54 54 THR H H 36 7.507 7.819 -0.312 1
1 362 . 3 1 1 A 54 54 THR HA H 36 4.314 4.386 -0.072 1
1 367 . 3 1 1 A 54 54 THR C C 36 174.177 173.933 0.244 1
1 368 . 3 1 1 A 54 54 THR CA C 36 61.195 62.018 -0.823 1
1 369 . 3 1 1 A 54 54 THR CB C 36 68.101 69.273 -1.172 1
1 371 . 3 1 1 A 54 54 THR N N 36 107.002 108.028 -1.026 1
1 372 . 3 1 1 A 55 55 PHE H H 37 7.716 7.718 -0.002 1
1 373 . 3 1 1 A 55 55 PHE HA H 37 4.204 5.010 -0.806 1
1 380 . 3 1 1 A 55 55 PHE C C 37 175.228 173.517 1.711 1
1 381 . 3 1 1 A 55 55 PHE CA C 37 58.875 56.239 2.636 1
1 382 . 3 1 1 A 55 55 PHE CB C 37 40.942 42.852 -1.910 1
1 385 . 3 1 1 A 55 55 PHE N N 37 124.794 122.791 2.003 1
1 386 . 3 1 1 A 56 56 LEU H H 38 7.490 8.034 -0.544 1
1 387 . 3 1 1 A 56 56 LEU HA H 38 4.310 4.749 -0.439 1
1 397 . 3 1 1 A 56 56 LEU C C 38 174.300 176.010 -1.710 1
1 398 . 3 1 1 A 56 56 LEU CA C 38 53.416 53.157 0.259 1
1 399 . 3 1 1 A 56 56 LEU CB C 38 41.386 45.347 -3.961 1
1 403 . 3 1 1 A 56 56 LEU N N 38 130.713 126.327 4.386 1
1 404 . 3 1 1 A 57 57 ARG H H 39 7.930 8.420 -0.490 1
1 405 . 3 1 1 A 57 57 ARG HA H 39 3.994 4.537 -0.543 1
1 412 . 3 1 1 A 57 57 ARG CA C 39 57.374 56.048 1.326 1
1 413 . 3 1 1 A 57 57 ARG CB C 39 30.517 30.860 -0.343 1
1 416 . 3 1 1 A 57 57 ARG N N 39 122.866 123.398 -0.532 1
1 417 . 3 1 1 A 58 58 MET H H 40 8.408 8.433 -0.025 1
1 418 . 3 1 1 A 58 58 MET HA H 40 4.706 4.854 -0.148 1
1 423 . 3 1 1 A 58 58 MET C C 40 175.160 175.818 -0.658 1
1 424 . 3 1 1 A 58 58 MET CA C 40 53.908 53.907 0.001 1
1 425 . 3 1 1 A 58 58 MET CB C 40 36.603 34.952 1.651 1
1 427 . 3 1 1 A 58 58 MET N N 40 121.024 123.522 -2.498 1
1 428 . 3 1 1 A 59 59 ASP H H 41 8.419 8.419 0.000 1
1 429 . 3 1 1 A 59 59 ASP HA H 41 4.588 4.680 -0.092 1
1 432 . 3 1 1 A 59 59 ASP CA C 41 53.699 53.921 -0.222 1
1 433 . 3 1 1 A 59 59 ASP CB C 41 41.540 42.267 -0.727 1
1 434 . 3 1 1 A 59 59 ASP N N 41 120.478 121.583 -1.105 1
1 435 . 3 1 1 A 60 60 ASN HA H 42 4.317 4.513 -0.196 1
1 440 . 3 1 1 A 60 60 ASN C C 42 177.739 177.904 -0.165 1
1 441 . 3 1 1 A 60 60 ASN CA C 42 56.637 56.142 0.495 1
1 442 . 3 1 1 A 60 60 ASN CB C 42 37.586 37.570 0.016 1
1 444 . 3 1 1 A 61 61 ASN H H 43 8.442 7.848 0.594 1
1 445 . 3 1 1 A 61 61 ASN HA H 43 4.450 4.570 -0.120 1
1 448 . 3 1 1 A 61 61 ASN C C 43 177.439 177.522 -0.083 1
1 449 . 3 1 1 A 61 61 ASN CA C 43 56.528 56.317 0.211 1
1 450 . 3 1 1 A 61 61 ASN CB C 43 38.023 38.204 -0.181 1
1 451 . 3 1 1 A 61 61 ASN N N 43 118.960 118.986 -0.026 1
1 452 . 3 1 1 A 62 62 ALA H H 44 8.229 8.081 0.148 1
1 453 . 3 1 1 A 62 62 ALA HA H 44 4.102 4.188 -0.086 1
1 457 . 3 1 1 A 62 62 ALA C C 44 180.973 180.202 0.771 1
1 458 . 3 1 1 A 62 62 ALA CA C 44 54.672 54.754 -0.082 1
1 459 . 3 1 1 A 62 62 ALA CB C 44 18.466 18.325 0.141 1
1 460 . 3 1 1 A 62 62 ALA N N 44 123.651 122.885 0.766 1
1 461 . 3 1 1 A 63 63 ALA H H 45 8.779 8.047 0.732 1
1 462 . 3 1 1 A 63 63 ALA HA H 45 4.238 4.252 -0.014 1
1 466 . 3 1 1 A 63 63 ALA C C 45 178.680 179.687 -1.007 1
1 467 . 3 1 1 A 63 63 ALA CA C 45 54.945 55.022 -0.077 1
1 468 . 3 1 1 A 63 63 ALA CB C 45 18.685 18.384 0.301 1
1 469 . 3 1 1 A 63 63 ALA N N 45 121.928 120.154 1.774 1
1 470 . 3 1 1 A 64 64 ALA H H 46 8.024 8.017 0.007 1
1 471 . 3 1 1 A 64 64 ALA HA H 46 4.109 4.284 -0.175 1
1 475 . 3 1 1 A 64 64 ALA C C 46 179.731 179.639 0.092 1
1 476 . 3 1 1 A 64 64 ALA CA C 46 55.873 55.244 0.629 1
1 477 . 3 1 1 A 64 64 ALA CB C 46 17.853 18.379 -0.526 1
1 478 . 3 1 1 A 64 64 ALA N N 46 121.126 120.425 0.701 1
1 479 . 3 1 1 A 65 65 ILE H H 47 7.220 8.044 -0.824 1
1 480 . 3 1 1 A 65 65 ILE HA H 47 3.740 3.620 0.120 1
1 490 . 3 1 1 A 65 65 ILE C C 47 179.049 178.185 0.864 1
1 491 . 3 1 1 A 65 65 ILE CA C 47 64.061 65.572 -1.511 1
1 492 . 3 1 1 A 65 65 ILE CB C 47 38.528 37.919 0.609 1
1 496 . 3 1 1 A 65 65 ILE N N 47 117.953 118.398 -0.445 1
1 497 . 3 1 1 A 66 66 LYS H H 48 8.363 8.145 0.218 1
1 498 . 3 1 1 A 66 66 LYS HA H 48 4.062 3.929 0.133 1
1 507 . 3 1 1 A 66 66 LYS C C 48 177.739 178.624 -0.885 1
1 508 . 3 1 1 A 66 66 LYS CA C 48 57.074 58.969 -1.895 1
1 509 . 3 1 1 A 66 66 LYS CB C 48 31.472 32.325 -0.853 1
1 513 . 3 1 1 A 66 66 LYS N N 48 121.894 121.007 0.887 1
1 514 . 3 1 1 A 67 67 ALA H H 49 8.730 8.144 0.586 1
1 515 . 3 1 1 A 67 67 ALA HA H 49 3.682 4.157 -0.475 1
1 519 . 3 1 1 A 67 67 ALA C C 49 178.339 180.419 -2.080 1
1 520 . 3 1 1 A 67 67 ALA CA C 49 56.037 55.041 0.996 1
1 521 . 3 1 1 A 67 67 ALA CB C 49 18.126 18.367 -0.241 1
1 522 . 3 1 1 A 67 67 ALA N N 49 121.723 122.159 -0.436 1
1 523 . 3 1 1 A 68 68 LEU H H 50 6.888 8.002 -1.114 1
1 524 . 3 1 1 A 68 68 LEU HA H 50 4.020 4.108 -0.088 1
1 534 . 3 1 1 A 68 68 LEU C C 50 178.776 179.563 -0.787 1
1 535 . 3 1 1 A 68 68 LEU CA C 50 57.892 57.619 0.273 1
1 536 . 3 1 1 A 68 68 LEU CB C 50 41.832 41.478 0.354 1
1 540 . 3 1 1 A 68 68 LEU N N 50 115.156 119.147 -3.991 1
1 541 . 3 1 1 A 69 69 GLU H H 51 7.216 8.018 -0.802 1
1 542 . 3 1 1 A 69 69 GLU HA H 51 3.836 3.991 -0.155 1
1 547 . 3 1 1 A 69 69 GLU C C 51 178.721 179.451 -0.730 1
1 548 . 3 1 1 A 69 69 GLU CA C 51 59.257 59.038 0.219 1
1 549 . 3 1 1 A 69 69 GLU CB C 51 29.343 30.123 -0.780 1
1 551 . 3 1 1 A 69 69 GLU N N 51 119.727 119.243 0.484 1
1 552 . 3 1 1 A 70 70 LEU H H 52 8.326 8.028 0.298 1
1 553 . 3 1 1 A 70 70 LEU HA H 52 3.501 3.703 -0.202 1
1 563 . 3 1 1 A 70 70 LEU C C 52 178.421 178.471 -0.050 1
1 564 . 3 1 1 A 70 70 LEU CA C 52 56.814 57.034 -0.220 1
1 565 . 3 1 1 A 70 70 LEU CB C 52 39.497 40.709 -1.212 1
1 569 . 3 1 1 A 70 70 LEU N N 52 117.442 119.261 -1.819 1
1 570 . 3 1 1 A 71 71 TYR H H 53 7.440 7.932 -0.492 1
1 571 . 3 1 1 A 71 71 TYR HA H 53 4.010 4.183 -0.173 1
1 578 . 3 1 1 A 71 71 TYR C C 53 177.602 177.375 0.227 1
1 579 . 3 1 1 A 71 71 TYR CA C 53 60.751 61.478 -0.727 1
1 580 . 3 1 1 A 71 71 TYR CB C 53 38.221 38.570 -0.349 1
1 583 . 3 1 1 A 71 71 TYR N N 53 118.670 120.279 -1.609 1
1 584 . 3 1 1 A 72 72 LYS H H 54 7.720 8.065 -0.345 1
1 585 . 3 1 1 A 72 72 LYS HA H 54 3.543 3.797 -0.254 1
1 594 . 3 1 1 A 72 72 LYS C C 54 178.216 177.987 0.229 1
1 595 . 3 1 1 A 72 72 LYS CA C 54 59.475 58.760 0.715 1
1 596 . 3 1 1 A 72 72 LYS CB C 54 32.400 32.182 0.218 1
1 600 . 3 1 1 A 72 72 LYS N N 54 120.512 118.355 2.157 1
1 601 . 3 1 1 A 73 73 ILE H H 55 7.265 7.320 -0.055 1
1 602 . 3 1 1 A 73 73 ILE HA H 55 4.327 4.049 0.278 1
1 610 . 3 1 1 A 73 73 ILE CA C 55 60.625 62.186 -1.561 1
1 611 . 3 1 1 A 73 73 ILE CB C 55 38.244 38.585 -0.341 1
1 614 . 3 1 1 A 73 73 ILE N N 55 109.032 115.339 -6.307 1
1 615 . 3 1 1 A 74 74 ASN HA H 56 4.225 4.417 -0.192 1
1 620 . 3 1 1 A 74 74 ASN C C 56 174.532 174.477 0.055 1
1 621 . 3 1 1 A 74 74 ASN CA C 56 53.853 54.234 -0.381 1
1 622 . 3 1 1 A 74 74 ASN CB C 56 37.027 36.898 0.129 1
1 624 . 3 1 1 A 75 75 ALA H H 57 7.653 7.710 -0.057 1
1 625 . 3 1 1 A 75 75 ALA HA H 57 4.126 4.383 -0.257 1
1 629 . 3 1 1 A 75 75 ALA C C 57 177.848 176.920 0.928 1
1 630 . 3 1 1 A 75 75 ALA CA C 57 51.969 51.757 0.212 1
1 631 . 3 1 1 A 75 75 ALA CB C 57 20.500 19.814 0.686 1
1 632 . 3 1 1 A 75 75 ALA N N 57 119.216 119.838 -0.622 1
1 633 . 3 1 1 A 76 76 LYS H H 58 8.612 8.776 -0.164 1
1 634 . 3 1 1 A 76 76 LYS HA H 58 3.999 4.475 -0.476 1
1 643 . 3 1 1 A 76 76 LYS C C 58 176.142 176.252 -0.110 1
1 644 . 3 1 1 A 76 76 LYS CA C 58 58.220 56.256 1.964 1
1 645 . 3 1 1 A 76 76 LYS CB C 58 32.673 32.083 0.590 1
1 649 . 3 1 1 A 76 76 LYS N N 58 122.696 119.134 3.562 1
1 650 . 3 1 1 A 77 77 LEU H H 59 8.427 8.500 -0.073 1
1 651 . 3 1 1 A 77 77 LEU HA H 59 4.954 4.547 0.407 1
1 661 . 3 1 1 A 77 77 LEU C C 59 177.712 175.900 1.812 1
1 662 . 3 1 1 A 77 77 LEU CA C 59 52.843 54.997 -2.154 1
1 663 . 3 1 1 A 77 77 LEU CB C 59 43.611 42.738 0.873 1
1 667 . 3 1 1 A 77 77 LEU N N 59 129.775 126.879 2.896 1
1 668 . 3 1 1 A 78 78 CYS H H 60 8.573 8.738 -0.165 1
1 669 . 3 1 1 A 78 78 CYS HA H 60 3.938 4.889 -0.951 1
1 672 . 3 1 1 A 78 78 CYS C C 60 176.265 173.303 2.962 1
1 673 . 3 1 1 A 78 78 CYS CA C 60 61.768 57.460 4.308 1
1 674 . 3 1 1 A 78 78 CYS CB C 60 31.103 27.640 3.463 1
1 675 . 3 1 1 A 78 78 CYS N N 60 126.244 126.867 -0.623 1
1 676 . 3 1 1 A 79 79 ASP H H 61 8.570 8.526 0.044 1
1 677 . 3 1 1 A 79 79 ASP HA H 61 4.765 4.666 0.099 1
1 680 . 3 1 1 A 79 79 ASP CA C 61 52.464 52.696 -0.232 1
1 681 . 3 1 1 A 79 79 ASP CB C 61 40.598 39.835 0.763 1
1 682 . 3 1 1 A 79 79 ASP N N 61 123.037 127.162 -4.125 1
1 683 . 3 1 1 A 80 80 PRO HA H 62 4.351 4.611 -0.260 1
1 690 . 3 1 1 A 80 80 PRO C C 62 175.296 175.856 -0.560 1
1 691 . 3 1 1 A 80 80 PRO CA C 62 63.419 62.814 0.605 1
1 692 . 3 1 1 A 80 80 PRO CB C 62 31.963 31.555 0.408 1
1 695 . 3 1 1 A 81 81 HIS H H 63 8.283 8.469 -0.186 1
1 696 . 3 1 1 A 81 81 HIS HA H 63 4.737 4.897 -0.160 1
1 697 . 3 1 1 A 81 81 HIS CA C 63 54.272 53.803 0.469 1
1 698 . 3 1 1 A 81 81 HIS N N 63 122.934 122.569 0.365 1
1 1 . 4 1 1 A 20 20 LYS HA H 2 4.205 4.420 -0.215 1
1 8 . 4 1 1 A 20 20 LYS C C 2 176.538 175.529 1.009 1
1 9 . 4 1 1 A 20 20 LYS CA C 2 56.364 54.887 1.477 1
1 10 . 4 1 1 A 20 20 LYS CB C 2 30.708 30.776 -0.068 1
1 13 . 4 1 1 A 21 21 ARG H H 3 8.541 8.247 0.294 1
1 14 . 4 1 1 A 21 21 ARG N N 3 120.785 124.993 -4.208 1
1 15 . 4 1 1 A 22 22 ALA HA H 4 4.082 3.744 0.338 1
1 19 . 4 1 1 A 22 22 ALA CA C 4 54.047 55.301 -1.254 1
1 20 . 4 1 1 A 22 22 ALA CB C 4 18.824 18.035 0.789 1
1 21 . 4 1 1 A 23 23 ALA HA H 5 4.177 4.093 0.084 1
1 25 . 4 1 1 A 23 23 ALA C C 5 178.940 179.682 -0.742 1
1 26 . 4 1 1 A 23 23 ALA CA C 5 53.798 55.035 -1.237 1
1 27 . 4 1 1 A 23 23 ALA CB C 5 18.753 18.492 0.261 1
1 28 . 4 1 1 A 24 24 ALA H H 6 7.783 7.804 -0.021 1
1 29 . 4 1 1 A 24 24 ALA HA H 6 4.007 4.210 -0.203 1
1 33 . 4 1 1 A 24 24 ALA C C 6 178.203 179.634 -1.431 1
1 34 . 4 1 1 A 24 24 ALA CA C 6 54.590 54.790 -0.200 1
1 35 . 4 1 1 A 24 24 ALA CB C 6 18.494 18.517 -0.023 1
1 36 . 4 1 1 A 24 24 ALA N N 6 121.484 120.578 0.906 1
1 37 . 4 1 1 A 25 25 LYS H H 7 7.921 7.941 -0.020 1
1 38 . 4 1 1 A 25 25 LYS HA H 7 3.723 3.929 -0.206 1
1 47 . 4 1 1 A 25 25 LYS C C 7 178.121 178.948 -0.827 1
1 48 . 4 1 1 A 25 25 LYS CA C 7 59.475 59.097 0.378 1
1 49 . 4 1 1 A 25 25 LYS CB C 7 32.382 32.174 0.208 1
1 53 . 4 1 1 A 25 25 LYS N N 7 117.083 118.469 -1.386 1
1 54 . 4 1 1 A 26 26 HIS H H 8 7.810 7.607 0.203 1
1 55 . 4 1 1 A 26 26 HIS HA H 8 4.327 4.354 -0.027 1
1 58 . 4 1 1 A 26 26 HIS C C 8 175.774 177.649 -1.875 1
1 59 . 4 1 1 A 26 26 HIS CA C 8 58.657 60.301 -1.644 1
1 60 . 4 1 1 A 26 26 HIS CB C 8 30.271 29.754 0.517 1
1 61 . 4 1 1 A 26 26 HIS N N 8 117.117 117.507 -0.390 1
1 62 . 4 1 1 A 27 27 LEU H H 9 7.710 8.078 -0.368 1
1 63 . 4 1 1 A 27 27 LEU HA H 9 3.921 3.970 -0.049 1
1 72 . 4 1 1 A 27 27 LEU C C 9 178.585 178.933 -0.348 1
1 73 . 4 1 1 A 27 27 LEU CA C 9 58.002 58.499 -0.497 1
1 74 . 4 1 1 A 27 27 LEU CB C 9 42.288 41.559 0.729 1
1 77 . 4 1 1 A 27 27 LEU N N 9 120.717 120.505 0.212 1
1 78 . 4 1 1 A 28 28 ILE H H 10 8.559 7.728 0.831 1
1 79 . 4 1 1 A 28 28 ILE HA H 10 3.656 3.733 -0.077 1
1 89 . 4 1 1 A 28 28 ILE C C 10 178.148 178.636 -0.488 1
1 90 . 4 1 1 A 28 28 ILE CA C 10 66.845 64.596 2.249 1
1 91 . 4 1 1 A 28 28 ILE CB C 10 37.913 37.050 0.863 1
1 95 . 4 1 1 A 28 28 ILE N N 10 120.086 119.827 0.259 1
1 96 . 4 1 1 A 29 29 GLU H H 11 7.849 8.140 -0.291 1
1 97 . 4 1 1 A 29 29 GLU HA H 11 4.013 4.162 -0.149 1
1 102 . 4 1 1 A 29 29 GLU C C 11 179.376 179.680 -0.304 1
1 103 . 4 1 1 A 29 29 GLU CA C 11 59.584 59.323 0.261 1
1 104 . 4 1 1 A 29 29 GLU CB C 11 29.070 29.102 -0.032 1
1 106 . 4 1 1 A 29 29 GLU N N 11 118.346 120.555 -2.209 1
1 107 . 4 1 1 A 30 30 ARG H H 12 7.839 7.680 0.159 1
1 108 . 4 1 1 A 30 30 ARG HA H 12 4.064 4.071 -0.007 1
1 115 . 4 1 1 A 30 30 ARG C C 12 180.318 178.954 1.364 1
1 116 . 4 1 1 A 30 30 ARG CA C 12 59.585 59.338 0.247 1
1 117 . 4 1 1 A 30 30 ARG CB C 12 29.234 30.079 -0.845 1
1 120 . 4 1 1 A 30 30 ARG N N 12 120.904 120.553 0.351 1
1 121 . 4 1 1 A 31 31 TYR H H 13 8.545 8.164 0.381 1
1 122 . 4 1 1 A 31 31 TYR HA H 13 4.064 4.376 -0.312 1
1 129 . 4 1 1 A 31 31 TYR C C 13 177.725 178.675 -0.950 1
1 130 . 4 1 1 A 31 31 TYR CA C 13 63.351 60.136 3.215 1
1 131 . 4 1 1 A 31 31 TYR CB C 13 38.623 37.981 0.642 1
1 134 . 4 1 1 A 31 31 TYR N N 13 120.393 119.738 0.655 1
1 135 . 4 1 1 A 32 32 TYR H H 14 8.783 8.541 0.242 1
1 136 . 4 1 1 A 32 32 TYR HA H 14 3.948 4.214 -0.266 1
1 143 . 4 1 1 A 32 32 TYR C C 14 178.599 177.438 1.161 1
1 144 . 4 1 1 A 32 32 TYR CA C 14 62.669 62.088 0.581 1
1 145 . 4 1 1 A 32 32 TYR CB C 14 38.350 38.511 -0.161 1
1 148 . 4 1 1 A 32 32 TYR N N 14 120.342 120.529 -0.187 1
1 149 . 4 1 1 A 33 33 HIS H H 15 8.740 8.325 0.415 1
1 150 . 4 1 1 A 33 33 HIS HA H 15 3.906 4.245 -0.339 1
1 153 . 4 1 1 A 33 33 HIS C C 15 177.834 177.144 0.690 1
1 154 . 4 1 1 A 33 33 HIS CA C 15 60.622 60.181 0.441 1
1 155 . 4 1 1 A 33 33 HIS CB C 15 30.599 29.353 1.246 1
1 156 . 4 1 1 A 33 33 HIS N N 15 121.297 119.367 1.930 1
1 157 . 4 1 1 A 34 34 GLN H H 16 8.371 7.952 0.419 1
1 158 . 4 1 1 A 34 34 GLN HA H 16 3.709 4.051 -0.342 1
1 165 . 4 1 1 A 34 34 GLN C C 16 176.238 177.550 -1.312 1
1 166 . 4 1 1 A 34 34 GLN CA C 16 60.185 58.471 1.714 1
1 167 . 4 1 1 A 34 34 GLN CB C 16 30.653 28.818 1.835 1
1 169 . 4 1 1 A 34 34 GLN N N 16 122.576 118.622 3.954 1
1 171 . 4 1 1 A 35 35 LEU H H 17 7.916 7.763 0.153 1
1 172 . 4 1 1 A 35 35 LEU HA H 17 3.978 4.025 -0.047 1
1 182 . 4 1 1 A 35 35 LEU C C 17 175.624 178.589 -2.965 1
1 183 . 4 1 1 A 35 35 LEU CA C 17 56.377 56.608 -0.231 1
1 184 . 4 1 1 A 35 35 LEU CB C 17 45.098 42.298 2.800 1
1 188 . 4 1 1 A 35 35 LEU N N 17 116.299 117.862 -1.563 1
1 189 . 4 1 1 A 36 36 THR H H 18 7.148 7.515 -0.367 1
1 190 . 4 1 1 A 36 36 THR HA H 18 4.215 4.163 0.052 1
1 195 . 4 1 1 A 36 36 THR C C 18 174.709 176.277 -1.568 1
1 196 . 4 1 1 A 36 36 THR CA C 18 61.522 64.421 -2.899 1
1 197 . 4 1 1 A 36 36 THR CB C 18 70.434 68.816 1.618 1
1 199 . 4 1 1 A 36 36 THR N N 18 105.023 110.774 -5.751 1
1 200 . 4 1 1 A 37 37 GLU H H 19 8.234 7.955 0.279 1
1 201 . 4 1 1 A 37 37 GLU HA H 19 4.187 4.388 -0.201 1
1 206 . 4 1 1 A 37 37 GLU C C 19 177.657 177.319 0.338 1
1 207 . 4 1 1 A 37 37 GLU CA C 19 56.855 56.071 0.784 1
1 208 . 4 1 1 A 37 37 GLU CB C 19 30.872 31.102 -0.230 1
1 210 . 4 1 1 A 37 37 GLU N N 19 122.559 119.293 3.266 1
1 211 . 4 1 1 A 38 38 GLY H H 20 7.485 7.813 -0.328 1
1 212 . 4 1 1 A 38 38 GLY HA2 H 20 4.586 3.716 0.870 1
1 213 . 4 1 1 A 38 38 GLY HA3 H 20 4.358 3.777 0.581 1
1 214 . 4 1 1 A 38 38 GLY C C 20 172.976 174.233 -1.257 1
1 215 . 4 1 1 A 38 38 GLY CA C 20 44.177 46.404 -2.227 1
1 216 . 4 1 1 A 38 38 GLY N N 20 107.019 107.211 -0.192 1
1 217 . 4 1 1 A 39 39 CYS H H 21 7.410 8.155 -0.745 1
1 218 . 4 1 1 A 39 39 CYS HA H 21 4.498 4.688 -0.190 1
1 221 . 4 1 1 A 39 39 CYS C C 21 176.865 175.628 1.237 1
1 222 . 4 1 1 A 39 39 CYS CA C 21 58.493 58.404 0.089 1
1 223 . 4 1 1 A 39 39 CYS CB C 21 31.636 29.161 2.475 1
1 224 . 4 1 1 A 39 39 CYS N N 21 118.260 123.711 -5.451 1
1 225 . 4 1 1 A 40 40 GLY H H 22 8.670 8.060 0.610 1
1 226 . 4 1 1 A 40 40 GLY HA2 H 22 4.260 3.942 0.318 1
1 227 . 4 1 1 A 40 40 GLY HA3 H 22 3.505 3.958 -0.453 1
1 228 . 4 1 1 A 40 40 GLY C C 22 173.618 174.315 -0.697 1
1 229 . 4 1 1 A 40 40 GLY CA C 22 45.188 45.416 -0.228 1
1 230 . 4 1 1 A 40 40 GLY N N 22 112.324 110.412 1.912 1
1 231 . 4 1 1 A 41 41 ASN H H 23 8.379 7.903 0.476 1
1 232 . 4 1 1 A 41 41 ASN HA H 23 4.452 4.637 -0.185 1
1 237 . 4 1 1 A 41 41 ASN C C 23 175.132 176.523 -1.391 1
1 238 . 4 1 1 A 41 41 ASN CA C 23 52.106 53.682 -1.576 1
1 239 . 4 1 1 A 41 41 ASN CB C 23 38.678 39.235 -0.557 1
1 240 . 4 1 1 A 41 41 ASN N N 23 122.184 120.420 1.764 1
1 242 . 4 1 1 A 42 42 GLU H H 24 8.769 8.789 -0.020 1
1 243 . 4 1 1 A 42 42 GLU HA H 24 4.167 4.389 -0.222 1
1 248 . 4 1 1 A 42 42 GLU C C 24 175.801 177.093 -1.292 1
1 249 . 4 1 1 A 42 42 GLU CA C 24 57.947 59.099 -1.152 1
1 250 . 4 1 1 A 42 42 GLU CB C 24 29.016 29.095 -0.079 1
1 252 . 4 1 1 A 42 42 GLU N N 24 124.589 125.643 -1.054 1
1 253 . 4 1 1 A 43 43 ALA H H 25 7.839 7.307 0.532 1
1 254 . 4 1 1 A 43 43 ALA HA H 25 4.381 4.419 -0.038 1
1 258 . 4 1 1 A 43 43 ALA C C 25 175.842 176.314 -0.472 1
1 259 . 4 1 1 A 43 43 ALA CA C 25 50.319 51.775 -1.456 1
1 260 . 4 1 1 A 43 43 ALA CB C 25 18.563 17.842 0.721 1
1 261 . 4 1 1 A 43 43 ALA N N 25 121.706 120.487 1.219 1
1 262 . 4 1 1 A 44 44 CYS H H 26 7.350 7.624 -0.274 1
1 263 . 4 1 1 A 44 44 CYS HA H 26 3.757 4.759 -1.002 1
1 266 . 4 1 1 A 44 44 CYS C C 26 176.019 176.003 0.016 1
1 267 . 4 1 1 A 44 44 CYS CA C 26 62.696 57.246 5.450 1
1 268 . 4 1 1 A 44 44 CYS CB C 26 29.671 30.113 -0.442 1
1 269 . 4 1 1 A 44 44 CYS N N 26 124.265 118.843 5.422 1
1 270 . 4 1 1 A 45 45 THR H H 27 7.872 8.776 -0.904 1
1 271 . 4 1 1 A 45 45 THR HA H 27 4.511 4.439 0.072 1
1 276 . 4 1 1 A 45 45 THR C C 27 174.969 173.724 1.245 1
1 277 . 4 1 1 A 45 45 THR CA C 27 61.113 62.005 -0.892 1
1 278 . 4 1 1 A 45 45 THR CB C 27 69.834 68.850 0.984 1
1 280 . 4 1 1 A 45 45 THR N N 27 115.292 117.837 -2.545 1
1 281 . 4 1 1 A 46 46 ASN H H 28 9.336 7.761 1.575 1
1 282 . 4 1 1 A 46 46 ASN HA H 28 4.430 5.029 -0.599 1
1 287 . 4 1 1 A 46 46 ASN C C 28 174.273 175.832 -1.559 1
1 288 . 4 1 1 A 46 46 ASN CA C 28 53.144 51.669 1.475 1
1 289 . 4 1 1 A 46 46 ASN CB C 28 38.500 39.422 -0.922 1
1 290 . 4 1 1 A 46 46 ASN N N 28 127.779 121.856 5.923 1
1 292 . 4 1 1 A 47 47 GLU H H 29 8.499 8.884 -0.385 1
1 293 . 4 1 1 A 47 47 GLU HA H 29 4.006 4.103 -0.097 1
1 298 . 4 1 1 A 47 47 GLU C C 29 175.815 177.073 -1.258 1
1 299 . 4 1 1 A 47 47 GLU CA C 29 58.111 58.553 -0.442 1
1 300 . 4 1 1 A 47 47 GLU CB C 29 29.070 28.968 0.102 1
1 302 . 4 1 1 A 47 47 GLU N N 29 123.804 125.567 -1.763 1
1 303 . 4 1 1 A 48 48 PHE H H 30 7.423 7.623 -0.200 1
1 304 . 4 1 1 A 48 48 PHE HA H 30 4.860 4.797 0.063 1
1 311 . 4 1 1 A 48 48 PHE C C 30 171.980 174.728 -2.748 1
1 312 . 4 1 1 A 48 48 PHE CA C 30 56.336 57.863 -1.527 1
1 313 . 4 1 1 A 48 48 PHE CB C 30 38.132 38.596 -0.464 1
1 316 . 4 1 1 A 48 48 PHE N N 30 117.186 117.911 -0.725 1
1 317 . 4 1 1 A 49 49 CYS H H 31 7.420 7.483 -0.063 1
1 318 . 4 1 1 A 49 49 CYS HA H 31 4.264 4.824 -0.560 1
1 321 . 4 1 1 A 49 49 CYS C C 31 174.436 172.931 1.505 1
1 322 . 4 1 1 A 49 49 CYS CA C 31 57.047 56.849 0.198 1
1 323 . 4 1 1 A 49 49 CYS CB C 31 33.492 30.756 2.736 1
1 324 . 4 1 1 A 49 49 CYS N N 31 121.843 119.563 2.280 1
1 325 . 4 1 1 A 50 50 ALA H H 32 7.949 8.269 -0.320 1
1 326 . 4 1 1 A 50 50 ALA HA H 32 2.992 3.958 -0.966 1
1 330 . 4 1 1 A 50 50 ALA C C 32 178.762 178.095 0.667 1
1 331 . 4 1 1 A 50 50 ALA CA C 32 53.007 51.919 1.088 1
1 332 . 4 1 1 A 50 50 ALA CB C 32 17.007 19.509 -2.502 1
1 333 . 4 1 1 A 50 50 ALA N N 32 128.103 128.698 -0.595 1
1 334 . 4 1 1 A 51 51 SER H H 33 9.507 8.945 0.562 1
1 335 . 4 1 1 A 51 51 SER HA H 33 4.299 4.207 0.092 1
1 338 . 4 1 1 A 51 51 SER C C 33 173.399 172.838 0.561 1
1 339 . 4 1 1 A 51 51 SER CA C 33 60.840 59.683 1.157 1
1 340 . 4 1 1 A 51 51 SER CB C 33 63.679 62.744 0.935 1
1 341 . 4 1 1 A 51 51 SER N N 33 119.062 114.537 4.525 1
1 342 . 4 1 1 A 52 52 CYS H H 34 7.978 7.767 0.211 1
1 343 . 4 1 1 A 52 52 CYS HA H 34 4.652 4.865 -0.213 1
1 346 . 4 1 1 A 52 52 CYS CA C 34 55.835 57.458 -1.623 1
1 347 . 4 1 1 A 52 52 CYS CB C 34 27.879 28.385 -0.506 1
1 348 . 4 1 1 A 52 52 CYS N N 34 124.589 121.007 3.582 1
1 349 . 4 1 1 A 53 53 PRO HA H 35 4.393 4.522 -0.129 1
1 356 . 4 1 1 A 53 53 PRO C C 35 177.889 177.253 0.636 1
1 357 . 4 1 1 A 53 53 PRO CA C 35 65.180 64.004 1.176 1
1 358 . 4 1 1 A 53 53 PRO CB C 35 32.850 31.708 1.142 1
1 361 . 4 1 1 A 54 54 THR H H 36 7.507 7.932 -0.425 1
1 362 . 4 1 1 A 54 54 THR HA H 36 4.314 4.399 -0.085 1
1 367 . 4 1 1 A 54 54 THR C C 36 174.177 173.454 0.723 1
1 368 . 4 1 1 A 54 54 THR CA C 36 61.195 61.689 -0.494 1
1 369 . 4 1 1 A 54 54 THR CB C 36 68.101 69.239 -1.138 1
1 371 . 4 1 1 A 54 54 THR N N 36 107.002 108.966 -1.964 1
1 372 . 4 1 1 A 55 55 PHE H H 37 7.716 7.494 0.222 1
1 373 . 4 1 1 A 55 55 PHE HA H 37 4.204 4.841 -0.637 1
1 380 . 4 1 1 A 55 55 PHE C C 37 175.228 173.341 1.887 1
1 381 . 4 1 1 A 55 55 PHE CA C 37 58.875 56.207 2.668 1
1 382 . 4 1 1 A 55 55 PHE CB C 37 40.942 43.065 -2.123 1
1 385 . 4 1 1 A 55 55 PHE N N 37 124.794 122.385 2.409 1
1 386 . 4 1 1 A 56 56 LEU H H 38 7.490 7.991 -0.501 1
1 387 . 4 1 1 A 56 56 LEU HA H 38 4.310 4.757 -0.447 1
1 397 . 4 1 1 A 56 56 LEU C C 38 174.300 175.149 -0.849 1
1 398 . 4 1 1 A 56 56 LEU CA C 38 53.416 53.059 0.357 1
1 399 . 4 1 1 A 56 56 LEU CB C 38 41.386 44.888 -3.502 1
1 403 . 4 1 1 A 56 56 LEU N N 38 130.713 126.783 3.930 1
1 404 . 4 1 1 A 57 57 ARG H H 39 7.930 8.445 -0.515 1
1 405 . 4 1 1 A 57 57 ARG HA H 39 3.994 4.429 -0.435 1
1 412 . 4 1 1 A 57 57 ARG CA C 39 57.374 56.834 0.540 1
1 413 . 4 1 1 A 57 57 ARG CB C 39 30.517 30.837 -0.320 1
1 416 . 4 1 1 A 57 57 ARG N N 39 122.866 126.928 -4.062 1
1 417 . 4 1 1 A 58 58 MET H H 40 8.408 8.865 -0.457 1
1 418 . 4 1 1 A 58 58 MET HA H 40 4.706 5.096 -0.390 1
1 423 . 4 1 1 A 58 58 MET C C 40 175.160 174.022 1.138 1
1 424 . 4 1 1 A 58 58 MET CA C 40 53.908 53.541 0.367 1
1 425 . 4 1 1 A 58 58 MET CB C 40 36.603 36.074 0.529 1
1 427 . 4 1 1 A 58 58 MET N N 40 121.024 120.136 0.888 1
1 428 . 4 1 1 A 59 59 ASP H H 41 8.419 8.826 -0.407 1
1 429 . 4 1 1 A 59 59 ASP HA H 41 4.588 4.674 -0.086 1
1 432 . 4 1 1 A 59 59 ASP CA C 41 53.699 53.920 -0.221 1
1 433 . 4 1 1 A 59 59 ASP CB C 41 41.540 42.290 -0.750 1
1 434 . 4 1 1 A 59 59 ASP N N 41 120.478 121.195 -0.717 1
1 435 . 4 1 1 A 60 60 ASN HA H 42 4.317 4.397 -0.080 1
1 440 . 4 1 1 A 60 60 ASN C C 42 177.739 177.912 -0.173 1
1 441 . 4 1 1 A 60 60 ASN CA C 42 56.637 56.216 0.421 1
1 442 . 4 1 1 A 60 60 ASN CB C 42 37.586 37.670 -0.084 1
1 444 . 4 1 1 A 61 61 ASN H H 43 8.442 7.820 0.622 1
1 445 . 4 1 1 A 61 61 ASN HA H 43 4.450 4.539 -0.089 1
1 448 . 4 1 1 A 61 61 ASN C C 43 177.439 177.515 -0.076 1
1 449 . 4 1 1 A 61 61 ASN CA C 43 56.528 56.285 0.243 1
1 450 . 4 1 1 A 61 61 ASN CB C 43 38.023 37.678 0.345 1
1 451 . 4 1 1 A 61 61 ASN N N 43 118.960 119.405 -0.445 1
1 452 . 4 1 1 A 62 62 ALA H H 44 8.229 8.081 0.148 1
1 453 . 4 1 1 A 62 62 ALA HA H 44 4.102 4.113 -0.011 1
1 457 . 4 1 1 A 62 62 ALA C C 44 180.973 180.427 0.546 1
1 458 . 4 1 1 A 62 62 ALA CA C 44 54.672 54.861 -0.189 1
1 459 . 4 1 1 A 62 62 ALA CB C 44 18.466 18.228 0.238 1
1 460 . 4 1 1 A 62 62 ALA N N 44 123.651 123.074 0.577 1
1 461 . 4 1 1 A 63 63 ALA H H 45 8.779 8.091 0.688 1
1 462 . 4 1 1 A 63 63 ALA HA H 45 4.238 4.270 -0.032 1
1 466 . 4 1 1 A 63 63 ALA C C 45 178.680 179.784 -1.104 1
1 467 . 4 1 1 A 63 63 ALA CA C 45 54.945 55.010 -0.065 1
1 468 . 4 1 1 A 63 63 ALA CB C 45 18.685 18.152 0.533 1
1 469 . 4 1 1 A 63 63 ALA N N 45 121.928 120.028 1.900 1
1 470 . 4 1 1 A 64 64 ALA H H 46 8.024 7.843 0.181 1
1 471 . 4 1 1 A 64 64 ALA HA H 46 4.109 4.329 -0.220 1
1 475 . 4 1 1 A 64 64 ALA C C 46 179.731 179.900 -0.169 1
1 476 . 4 1 1 A 64 64 ALA CA C 46 55.873 55.123 0.750 1
1 477 . 4 1 1 A 64 64 ALA CB C 46 17.853 18.622 -0.769 1
1 478 . 4 1 1 A 64 64 ALA N N 46 121.126 120.210 0.916 1
1 479 . 4 1 1 A 65 65 ILE H H 47 7.220 7.715 -0.495 1
1 480 . 4 1 1 A 65 65 ILE HA H 47 3.740 3.690 0.050 1
1 490 . 4 1 1 A 65 65 ILE C C 47 179.049 178.222 0.827 1
1 491 . 4 1 1 A 65 65 ILE CA C 47 64.061 65.587 -1.526 1
1 492 . 4 1 1 A 65 65 ILE CB C 47 38.528 37.832 0.696 1
1 496 . 4 1 1 A 65 65 ILE N N 47 117.953 118.782 -0.829 1
1 497 . 4 1 1 A 66 66 LYS H H 48 8.363 8.111 0.252 1
1 498 . 4 1 1 A 66 66 LYS HA H 48 4.062 4.042 0.020 1
1 507 . 4 1 1 A 66 66 LYS C C 48 177.739 178.719 -0.980 1
1 508 . 4 1 1 A 66 66 LYS CA C 48 57.074 58.708 -1.634 1
1 509 . 4 1 1 A 66 66 LYS CB C 48 31.472 32.296 -0.824 1
1 513 . 4 1 1 A 66 66 LYS N N 48 121.894 121.210 0.684 1
1 514 . 4 1 1 A 67 67 ALA H H 49 8.730 8.181 0.549 1
1 515 . 4 1 1 A 67 67 ALA HA H 49 3.682 4.135 -0.453 1
1 519 . 4 1 1 A 67 67 ALA C C 49 178.339 180.125 -1.786 1
1 520 . 4 1 1 A 67 67 ALA CA C 49 56.037 55.026 1.011 1
1 521 . 4 1 1 A 67 67 ALA CB C 49 18.126 18.389 -0.263 1
1 522 . 4 1 1 A 67 67 ALA N N 49 121.723 122.257 -0.534 1
1 523 . 4 1 1 A 68 68 LEU H H 50 6.888 7.936 -1.048 1
1 524 . 4 1 1 A 68 68 LEU HA H 50 4.020 4.131 -0.111 1
1 534 . 4 1 1 A 68 68 LEU C C 50 178.776 179.100 -0.324 1
1 535 . 4 1 1 A 68 68 LEU CA C 50 57.892 57.448 0.444 1
1 536 . 4 1 1 A 68 68 LEU CB C 50 41.832 41.703 0.129 1
1 540 . 4 1 1 A 68 68 LEU N N 50 115.156 120.023 -4.867 1
1 541 . 4 1 1 A 69 69 GLU H H 51 7.216 8.131 -0.915 1
1 542 . 4 1 1 A 69 69 GLU HA H 51 3.836 4.030 -0.194 1
1 547 . 4 1 1 A 69 69 GLU C C 51 178.721 179.081 -0.360 1
1 548 . 4 1 1 A 69 69 GLU CA C 51 59.257 59.360 -0.103 1
1 549 . 4 1 1 A 69 69 GLU CB C 51 29.343 29.146 0.197 1
1 551 . 4 1 1 A 69 69 GLU N N 51 119.727 120.612 -0.885 1
1 552 . 4 1 1 A 70 70 LEU H H 52 8.326 8.077 0.249 1
1 553 . 4 1 1 A 70 70 LEU HA H 52 3.501 3.763 -0.262 1
1 563 . 4 1 1 A 70 70 LEU C C 52 178.421 178.429 -0.008 1
1 564 . 4 1 1 A 70 70 LEU CA C 52 56.814 57.204 -0.390 1
1 565 . 4 1 1 A 70 70 LEU CB C 52 39.497 40.673 -1.176 1
1 569 . 4 1 1 A 70 70 LEU N N 52 117.442 119.300 -1.858 1
1 570 . 4 1 1 A 71 71 TYR H H 53 7.440 7.937 -0.497 1
1 571 . 4 1 1 A 71 71 TYR HA H 53 4.010 3.961 0.049 1
1 578 . 4 1 1 A 71 71 TYR C C 53 177.602 177.785 -0.183 1
1 579 . 4 1 1 A 71 71 TYR CA C 53 60.751 61.554 -0.803 1
1 580 . 4 1 1 A 71 71 TYR CB C 53 38.221 38.632 -0.411 1
1 583 . 4 1 1 A 71 71 TYR N N 53 118.670 120.409 -1.739 1
1 584 . 4 1 1 A 72 72 LYS H H 54 7.720 8.030 -0.310 1
1 585 . 4 1 1 A 72 72 LYS HA H 54 3.543 3.773 -0.230 1
1 594 . 4 1 1 A 72 72 LYS C C 54 178.216 177.655 0.561 1
1 595 . 4 1 1 A 72 72 LYS CA C 54 59.475 58.775 0.700 1
1 596 . 4 1 1 A 72 72 LYS CB C 54 32.400 31.905 0.495 1
1 600 . 4 1 1 A 72 72 LYS N N 54 120.512 118.096 2.416 1
1 601 . 4 1 1 A 73 73 ILE H H 55 7.265 7.158 0.107 1
1 602 . 4 1 1 A 73 73 ILE HA H 55 4.327 4.105 0.222 1
1 610 . 4 1 1 A 73 73 ILE CA C 55 60.625 61.099 -0.474 1
1 611 . 4 1 1 A 73 73 ILE CB C 55 38.244 38.656 -0.412 1
1 614 . 4 1 1 A 73 73 ILE N N 55 109.032 115.423 -6.391 1
1 615 . 4 1 1 A 74 74 ASN HA H 56 4.225 4.439 -0.214 1
1 620 . 4 1 1 A 74 74 ASN C C 56 174.532 174.687 -0.155 1
1 621 . 4 1 1 A 74 74 ASN CA C 56 53.853 54.311 -0.458 1
1 622 . 4 1 1 A 74 74 ASN CB C 56 37.027 36.834 0.193 1
1 624 . 4 1 1 A 75 75 ALA H H 57 7.653 7.763 -0.110 1
1 625 . 4 1 1 A 75 75 ALA HA H 57 4.126 4.335 -0.209 1
1 629 . 4 1 1 A 75 75 ALA C C 57 177.848 177.023 0.825 1
1 630 . 4 1 1 A 75 75 ALA CA C 57 51.969 51.786 0.183 1
1 631 . 4 1 1 A 75 75 ALA CB C 57 20.500 20.318 0.182 1
1 632 . 4 1 1 A 75 75 ALA N N 57 119.216 119.516 -0.300 1
1 633 . 4 1 1 A 76 76 LYS H H 58 8.612 8.348 0.264 1
1 634 . 4 1 1 A 76 76 LYS HA H 58 3.999 4.311 -0.312 1
1 643 . 4 1 1 A 76 76 LYS C C 58 176.142 176.264 -0.122 1
1 644 . 4 1 1 A 76 76 LYS CA C 58 58.220 56.482 1.738 1
1 645 . 4 1 1 A 76 76 LYS CB C 58 32.673 32.624 0.049 1
1 649 . 4 1 1 A 76 76 LYS N N 58 122.696 119.000 3.696 1
1 650 . 4 1 1 A 77 77 LEU H H 59 8.427 8.935 -0.508 1
1 651 . 4 1 1 A 77 77 LEU HA H 59 4.954 4.928 0.026 1
1 661 . 4 1 1 A 77 77 LEU C C 59 177.712 176.626 1.086 1
1 662 . 4 1 1 A 77 77 LEU CA C 59 52.843 53.629 -0.786 1
1 663 . 4 1 1 A 77 77 LEU CB C 59 43.611 43.024 0.587 1
1 667 . 4 1 1 A 77 77 LEU N N 59 129.775 125.887 3.888 1
1 668 . 4 1 1 A 78 78 CYS H H 60 8.573 8.456 0.117 1
1 669 . 4 1 1 A 78 78 CYS HA H 60 3.938 4.446 -0.508 1
1 672 . 4 1 1 A 78 78 CYS C C 60 176.265 174.477 1.788 1
1 673 . 4 1 1 A 78 78 CYS CA C 60 61.768 60.888 0.880 1
1 674 . 4 1 1 A 78 78 CYS CB C 60 31.103 28.921 2.182 1
1 675 . 4 1 1 A 78 78 CYS N N 60 126.244 120.617 5.627 1
1 676 . 4 1 1 A 79 79 ASP H H 61 8.570 7.608 0.962 1
1 677 . 4 1 1 A 79 79 ASP HA H 61 4.765 4.697 0.068 1
1 680 . 4 1 1 A 79 79 ASP CA C 61 52.464 52.595 -0.131 1
1 681 . 4 1 1 A 79 79 ASP CB C 61 40.598 40.540 0.058 1
1 682 . 4 1 1 A 79 79 ASP N N 61 123.037 120.809 2.228 1
1 683 . 4 1 1 A 80 80 PRO HA H 62 4.351 4.423 -0.072 1
1 690 . 4 1 1 A 80 80 PRO C C 62 175.296 176.747 -1.451 1
1 691 . 4 1 1 A 80 80 PRO CA C 62 63.419 62.783 0.636 1
1 692 . 4 1 1 A 80 80 PRO CB C 62 31.963 31.889 0.074 1
1 695 . 4 1 1 A 81 81 HIS H H 63 8.283 8.218 0.065 1
1 696 . 4 1 1 A 81 81 HIS HA H 63 4.737 4.566 0.171 1
1 697 . 4 1 1 A 81 81 HIS CA C 63 54.272 55.298 -1.026 1
1 698 . 4 1 1 A 81 81 HIS N N 63 122.934 121.133 1.801 1
1 1 . 5 1 1 A 20 20 LYS HA H 2 4.205 4.386 -0.181 1
1 8 . 5 1 1 A 20 20 LYS C C 2 176.538 175.840 0.698 1
1 9 . 5 1 1 A 20 20 LYS CA C 2 56.364 56.228 0.136 1
1 10 . 5 1 1 A 20 20 LYS CB C 2 30.708 31.580 -0.872 1
1 13 . 5 1 1 A 21 21 ARG H H 3 8.541 8.066 0.475 1
1 14 . 5 1 1 A 21 21 ARG N N 3 120.785 125.314 -4.529 1
1 15 . 5 1 1 A 22 22 ALA HA H 4 4.082 4.131 -0.049 1
1 19 . 5 1 1 A 22 22 ALA CA C 4 54.047 55.346 -1.299 1
1 20 . 5 1 1 A 22 22 ALA CB C 4 18.824 18.155 0.669 1
1 21 . 5 1 1 A 23 23 ALA HA H 5 4.177 4.002 0.175 1
1 25 . 5 1 1 A 23 23 ALA C C 5 178.940 179.728 -0.788 1
1 26 . 5 1 1 A 23 23 ALA CA C 5 53.798 54.993 -1.195 1
1 27 . 5 1 1 A 23 23 ALA CB C 5 18.753 18.160 0.593 1
1 28 . 5 1 1 A 24 24 ALA H H 6 7.783 7.828 -0.045 1
1 29 . 5 1 1 A 24 24 ALA HA H 6 4.007 4.217 -0.210 1
1 33 . 5 1 1 A 24 24 ALA C C 6 178.203 179.638 -1.435 1
1 34 . 5 1 1 A 24 24 ALA CA C 6 54.590 55.145 -0.555 1
1 35 . 5 1 1 A 24 24 ALA CB C 6 18.494 18.099 0.395 1
1 36 . 5 1 1 A 24 24 ALA N N 6 121.484 120.759 0.725 1
1 37 . 5 1 1 A 25 25 LYS H H 7 7.921 7.891 0.030 1
1 38 . 5 1 1 A 25 25 LYS HA H 7 3.723 4.054 -0.331 1
1 47 . 5 1 1 A 25 25 LYS C C 7 178.121 178.998 -0.877 1
1 48 . 5 1 1 A 25 25 LYS CA C 7 59.475 59.612 -0.137 1
1 49 . 5 1 1 A 25 25 LYS CB C 7 32.382 32.067 0.315 1
1 53 . 5 1 1 A 25 25 LYS N N 7 117.083 119.083 -2.000 1
1 54 . 5 1 1 A 26 26 HIS H H 8 7.810 7.794 0.016 1
1 55 . 5 1 1 A 26 26 HIS HA H 8 4.327 4.380 -0.053 1
1 58 . 5 1 1 A 26 26 HIS C C 8 175.774 177.985 -2.211 1
1 59 . 5 1 1 A 26 26 HIS CA C 8 58.657 60.392 -1.735 1
1 60 . 5 1 1 A 26 26 HIS CB C 8 30.271 30.029 0.242 1
1 61 . 5 1 1 A 26 26 HIS N N 8 117.117 117.369 -0.252 1
1 62 . 5 1 1 A 27 27 LEU H H 9 7.710 8.184 -0.474 1
1 63 . 5 1 1 A 27 27 LEU HA H 9 3.921 4.085 -0.164 1
1 72 . 5 1 1 A 27 27 LEU C C 9 178.585 178.918 -0.333 1
1 73 . 5 1 1 A 27 27 LEU CA C 9 58.002 58.024 -0.022 1
1 74 . 5 1 1 A 27 27 LEU CB C 9 42.288 42.080 0.208 1
1 77 . 5 1 1 A 27 27 LEU N N 9 120.717 120.230 0.487 1
1 78 . 5 1 1 A 28 28 ILE H H 10 8.559 8.080 0.479 1
1 79 . 5 1 1 A 28 28 ILE HA H 10 3.656 3.702 -0.046 1
1 89 . 5 1 1 A 28 28 ILE C C 10 178.148 178.356 -0.208 1
1 90 . 5 1 1 A 28 28 ILE CA C 10 66.845 65.000 1.845 1
1 91 . 5 1 1 A 28 28 ILE CB C 10 37.913 37.451 0.462 1
1 95 . 5 1 1 A 28 28 ILE N N 10 120.086 120.115 -0.029 1
1 96 . 5 1 1 A 29 29 GLU H H 11 7.849 8.279 -0.430 1
1 97 . 5 1 1 A 29 29 GLU HA H 11 4.013 4.042 -0.029 1
1 102 . 5 1 1 A 29 29 GLU C C 11 179.376 179.405 -0.029 1
1 103 . 5 1 1 A 29 29 GLU CA C 11 59.584 59.648 -0.064 1
1 104 . 5 1 1 A 29 29 GLU CB C 11 29.070 29.177 -0.107 1
1 106 . 5 1 1 A 29 29 GLU N N 11 118.346 121.433 -3.087 1
1 107 . 5 1 1 A 30 30 ARG H H 12 7.839 7.584 0.255 1
1 108 . 5 1 1 A 30 30 ARG HA H 12 4.064 4.057 0.007 1
1 115 . 5 1 1 A 30 30 ARG C C 12 180.318 178.905 1.413 1
1 116 . 5 1 1 A 30 30 ARG CA C 12 59.585 59.232 0.353 1
1 117 . 5 1 1 A 30 30 ARG CB C 12 29.234 30.008 -0.774 1
1 120 . 5 1 1 A 30 30 ARG N N 12 120.904 119.166 1.738 1
1 121 . 5 1 1 A 31 31 TYR H H 13 8.545 8.011 0.534 1
1 122 . 5 1 1 A 31 31 TYR HA H 13 4.064 4.305 -0.241 1
1 129 . 5 1 1 A 31 31 TYR C C 13 177.725 178.590 -0.865 1
1 130 . 5 1 1 A 31 31 TYR CA C 13 63.351 60.219 3.132 1
1 131 . 5 1 1 A 31 31 TYR CB C 13 38.623 38.096 0.527 1
1 134 . 5 1 1 A 31 31 TYR N N 13 120.393 119.708 0.685 1
1 135 . 5 1 1 A 32 32 TYR H H 14 8.783 8.782 0.001 1
1 136 . 5 1 1 A 32 32 TYR HA H 14 3.948 4.273 -0.325 1
1 143 . 5 1 1 A 32 32 TYR C C 14 178.599 177.442 1.157 1
1 144 . 5 1 1 A 32 32 TYR CA C 14 62.669 61.823 0.846 1
1 145 . 5 1 1 A 32 32 TYR CB C 14 38.350 38.526 -0.176 1
1 148 . 5 1 1 A 32 32 TYR N N 14 120.342 119.344 0.998 1
1 149 . 5 1 1 A 33 33 HIS H H 15 8.740 8.412 0.328 1
1 150 . 5 1 1 A 33 33 HIS HA H 15 3.906 4.143 -0.237 1
1 153 . 5 1 1 A 33 33 HIS C C 15 177.834 176.676 1.158 1
1 154 . 5 1 1 A 33 33 HIS CA C 15 60.622 60.195 0.427 1
1 155 . 5 1 1 A 33 33 HIS CB C 15 30.599 29.304 1.295 1
1 156 . 5 1 1 A 33 33 HIS N N 15 121.297 119.559 1.738 1
1 157 . 5 1 1 A 34 34 GLN H H 16 8.371 8.018 0.353 1
1 158 . 5 1 1 A 34 34 GLN HA H 16 3.709 3.966 -0.257 1
1 165 . 5 1 1 A 34 34 GLN C C 16 176.238 178.344 -2.106 1
1 166 . 5 1 1 A 34 34 GLN CA C 16 60.185 58.836 1.349 1
1 167 . 5 1 1 A 34 34 GLN CB C 16 30.653 28.060 2.593 1
1 169 . 5 1 1 A 34 34 GLN N N 16 122.576 118.113 4.463 1
1 171 . 5 1 1 A 35 35 LEU H H 17 7.916 7.569 0.347 1
1 172 . 5 1 1 A 35 35 LEU HA H 17 3.978 3.661 0.317 1
1 182 . 5 1 1 A 35 35 LEU C C 17 175.624 178.907 -3.283 1
1 183 . 5 1 1 A 35 35 LEU CA C 17 56.377 57.215 -0.838 1
1 184 . 5 1 1 A 35 35 LEU CB C 17 45.098 42.330 2.768 1
1 188 . 5 1 1 A 35 35 LEU N N 17 116.299 119.568 -3.269 1
1 189 . 5 1 1 A 36 36 THR H H 18 7.148 7.859 -0.711 1
1 190 . 5 1 1 A 36 36 THR HA H 18 4.215 4.025 0.190 1
1 195 . 5 1 1 A 36 36 THR C C 18 174.709 177.241 -2.532 1
1 196 . 5 1 1 A 36 36 THR CA C 18 61.522 64.962 -3.440 1
1 197 . 5 1 1 A 36 36 THR CB C 18 70.434 68.373 2.061 1
1 199 . 5 1 1 A 36 36 THR N N 18 105.023 110.157 -5.134 1
1 200 . 5 1 1 A 37 37 GLU H H 19 8.234 7.420 0.814 1
1 201 . 5 1 1 A 37 37 GLU HA H 19 4.187 3.972 0.215 1
1 206 . 5 1 1 A 37 37 GLU C C 19 177.657 177.471 0.186 1
1 207 . 5 1 1 A 37 37 GLU CA C 19 56.855 56.766 0.089 1
1 208 . 5 1 1 A 37 37 GLU CB C 19 30.872 29.602 1.270 1
1 210 . 5 1 1 A 37 37 GLU N N 19 122.559 120.636 1.923 1
1 211 . 5 1 1 A 38 38 GLY H H 20 7.485 7.823 -0.338 1
1 212 . 5 1 1 A 38 38 GLY HA2 H 20 4.586 3.887 0.699 1
1 213 . 5 1 1 A 38 38 GLY HA3 H 20 4.358 3.923 0.435 1
1 214 . 5 1 1 A 38 38 GLY C C 20 172.976 174.316 -1.340 1
1 215 . 5 1 1 A 38 38 GLY CA C 20 44.177 44.803 -0.626 1
1 216 . 5 1 1 A 38 38 GLY N N 20 107.019 106.428 0.591 1
1 217 . 5 1 1 A 39 39 CYS H H 21 7.410 8.000 -0.590 1
1 218 . 5 1 1 A 39 39 CYS HA H 21 4.498 4.712 -0.214 1
1 221 . 5 1 1 A 39 39 CYS C C 21 176.865 176.166 0.699 1
1 222 . 5 1 1 A 39 39 CYS CA C 21 58.493 58.425 0.068 1
1 223 . 5 1 1 A 39 39 CYS CB C 21 31.636 29.149 2.487 1
1 224 . 5 1 1 A 39 39 CYS N N 21 118.260 121.552 -3.292 1
1 225 . 5 1 1 A 40 40 GLY H H 22 8.670 8.162 0.508 1
1 226 . 5 1 1 A 40 40 GLY HA2 H 22 4.260 3.961 0.299 1
1 227 . 5 1 1 A 40 40 GLY HA3 H 22 3.505 3.970 -0.465 1
1 228 . 5 1 1 A 40 40 GLY C C 22 173.618 174.233 -0.615 1
1 229 . 5 1 1 A 40 40 GLY CA C 22 45.188 45.233 -0.045 1
1 230 . 5 1 1 A 40 40 GLY N N 22 112.324 110.980 1.344 1
1 231 . 5 1 1 A 41 41 ASN H H 23 8.379 8.047 0.332 1
1 232 . 5 1 1 A 41 41 ASN HA H 23 4.452 4.629 -0.177 1
1 237 . 5 1 1 A 41 41 ASN C C 23 175.132 176.470 -1.338 1
1 238 . 5 1 1 A 41 41 ASN CA C 23 52.106 53.651 -1.545 1
1 239 . 5 1 1 A 41 41 ASN CB C 23 38.678 39.755 -1.077 1
1 240 . 5 1 1 A 41 41 ASN N N 23 122.184 120.050 2.134 1
1 242 . 5 1 1 A 42 42 GLU H H 24 8.769 8.865 -0.096 1
1 243 . 5 1 1 A 42 42 GLU HA H 24 4.167 3.915 0.252 1
1 248 . 5 1 1 A 42 42 GLU C C 24 175.801 177.259 -1.458 1
1 249 . 5 1 1 A 42 42 GLU CA C 24 57.947 59.862 -1.915 1
1 250 . 5 1 1 A 42 42 GLU CB C 24 29.016 30.271 -1.255 1
1 252 . 5 1 1 A 42 42 GLU N N 24 124.589 125.714 -1.125 1
1 253 . 5 1 1 A 43 43 ALA H H 25 7.839 7.844 -0.005 1
1 254 . 5 1 1 A 43 43 ALA HA H 25 4.381 4.463 -0.082 1
1 258 . 5 1 1 A 43 43 ALA C C 25 175.842 176.520 -0.678 1
1 259 . 5 1 1 A 43 43 ALA CA C 25 50.319 51.340 -1.021 1
1 260 . 5 1 1 A 43 43 ALA CB C 25 18.563 18.126 0.437 1
1 261 . 5 1 1 A 43 43 ALA N N 25 121.706 119.563 2.143 1
1 262 . 5 1 1 A 44 44 CYS H H 26 7.350 8.392 -1.042 1
1 263 . 5 1 1 A 44 44 CYS HA H 26 3.757 4.745 -0.988 1
1 266 . 5 1 1 A 44 44 CYS C C 26 176.019 174.699 1.320 1
1 267 . 5 1 1 A 44 44 CYS CA C 26 62.696 58.866 3.830 1
1 268 . 5 1 1 A 44 44 CYS CB C 26 29.671 28.895 0.776 1
1 269 . 5 1 1 A 44 44 CYS N N 26 124.265 122.128 2.137 1
1 270 . 5 1 1 A 45 45 THR H H 27 7.872 8.741 -0.869 1
1 271 . 5 1 1 A 45 45 THR HA H 27 4.511 4.572 -0.061 1
1 276 . 5 1 1 A 45 45 THR C C 27 174.969 173.148 1.821 1
1 277 . 5 1 1 A 45 45 THR CA C 27 61.113 60.515 0.598 1
1 278 . 5 1 1 A 45 45 THR CB C 27 69.834 67.377 2.457 1
1 280 . 5 1 1 A 45 45 THR N N 27 115.292 123.121 -7.829 1
1 281 . 5 1 1 A 46 46 ASN H H 28 9.336 7.508 1.828 1
1 282 . 5 1 1 A 46 46 ASN HA H 28 4.430 4.917 -0.487 1
1 287 . 5 1 1 A 46 46 ASN C C 28 174.273 175.306 -1.033 1
1 288 . 5 1 1 A 46 46 ASN CA C 28 53.144 52.972 0.172 1
1 289 . 5 1 1 A 46 46 ASN CB C 28 38.500 40.435 -1.935 1
1 290 . 5 1 1 A 46 46 ASN N N 28 127.779 124.044 3.735 1
1 292 . 5 1 1 A 47 47 GLU H H 29 8.499 9.077 -0.578 1
1 293 . 5 1 1 A 47 47 GLU HA H 29 4.006 4.330 -0.324 1
1 298 . 5 1 1 A 47 47 GLU C C 29 175.815 177.075 -1.260 1
1 299 . 5 1 1 A 47 47 GLU CA C 29 58.111 59.088 -0.977 1
1 300 . 5 1 1 A 47 47 GLU CB C 29 29.070 28.844 0.226 1
1 302 . 5 1 1 A 47 47 GLU N N 29 123.804 125.088 -1.284 1
1 303 . 5 1 1 A 48 48 PHE H H 30 7.423 7.503 -0.080 1
1 304 . 5 1 1 A 48 48 PHE HA H 30 4.860 4.787 0.073 1
1 311 . 5 1 1 A 48 48 PHE C C 30 171.980 174.497 -2.517 1
1 312 . 5 1 1 A 48 48 PHE CA C 30 56.336 56.447 -0.111 1
1 313 . 5 1 1 A 48 48 PHE CB C 30 38.132 36.795 1.337 1
1 316 . 5 1 1 A 48 48 PHE N N 30 117.186 117.551 -0.365 1
1 317 . 5 1 1 A 49 49 CYS H H 31 7.420 7.708 -0.288 1
1 318 . 5 1 1 A 49 49 CYS HA H 31 4.264 4.617 -0.353 1
1 321 . 5 1 1 A 49 49 CYS C C 31 174.436 173.131 1.305 1
1 322 . 5 1 1 A 49 49 CYS CA C 31 57.047 57.928 -0.881 1
1 323 . 5 1 1 A 49 49 CYS CB C 31 33.492 31.826 1.666 1
1 324 . 5 1 1 A 49 49 CYS N N 31 121.843 121.237 0.606 1
1 325 . 5 1 1 A 50 50 ALA H H 32 7.949 8.130 -0.181 1
1 326 . 5 1 1 A 50 50 ALA HA H 32 2.992 3.974 -0.982 1
1 330 . 5 1 1 A 50 50 ALA C C 32 178.762 178.024 0.738 1
1 331 . 5 1 1 A 50 50 ALA CA C 32 53.007 51.980 1.027 1
1 332 . 5 1 1 A 50 50 ALA CB C 32 17.007 19.383 -2.376 1
1 333 . 5 1 1 A 50 50 ALA N N 32 128.103 127.156 0.947 1
1 334 . 5 1 1 A 51 51 SER H H 33 9.507 8.696 0.811 1
1 335 . 5 1 1 A 51 51 SER HA H 33 4.299 4.078 0.221 1
1 338 . 5 1 1 A 51 51 SER C C 33 173.399 173.309 0.090 1
1 339 . 5 1 1 A 51 51 SER CA C 33 60.840 60.488 0.352 1
1 340 . 5 1 1 A 51 51 SER CB C 33 63.679 61.672 2.007 1
1 341 . 5 1 1 A 51 51 SER N N 33 119.062 111.646 7.416 1
1 342 . 5 1 1 A 52 52 CYS H H 34 7.978 7.801 0.177 1
1 343 . 5 1 1 A 52 52 CYS HA H 34 4.652 4.856 -0.204 1
1 346 . 5 1 1 A 52 52 CYS CA C 34 55.835 56.551 -0.716 1
1 347 . 5 1 1 A 52 52 CYS CB C 34 27.879 29.092 -1.213 1
1 348 . 5 1 1 A 52 52 CYS N N 34 124.589 119.159 5.430 1
1 349 . 5 1 1 A 53 53 PRO HA H 35 4.393 4.398 -0.005 1
1 356 . 5 1 1 A 53 53 PRO C C 35 177.889 177.479 0.410 1
1 357 . 5 1 1 A 53 53 PRO CA C 35 65.180 64.335 0.845 1
1 358 . 5 1 1 A 53 53 PRO CB C 35 32.850 31.840 1.010 1
1 361 . 5 1 1 A 54 54 THR H H 36 7.507 7.706 -0.199 1
1 362 . 5 1 1 A 54 54 THR HA H 36 4.314 4.229 0.085 1
1 367 . 5 1 1 A 54 54 THR C C 36 174.177 174.950 -0.773 1
1 368 . 5 1 1 A 54 54 THR CA C 36 61.195 63.772 -2.577 1
1 369 . 5 1 1 A 54 54 THR CB C 36 68.101 68.713 -0.612 1
1 371 . 5 1 1 A 54 54 THR N N 36 107.002 108.048 -1.046 1
1 372 . 5 1 1 A 55 55 PHE H H 37 7.716 7.544 0.172 1
1 373 . 5 1 1 A 55 55 PHE HA H 37 4.204 4.588 -0.384 1
1 380 . 5 1 1 A 55 55 PHE C C 37 175.228 174.344 0.884 1
1 381 . 5 1 1 A 55 55 PHE CA C 37 58.875 57.498 1.377 1
1 382 . 5 1 1 A 55 55 PHE CB C 37 40.942 39.466 1.476 1
1 385 . 5 1 1 A 55 55 PHE N N 37 124.794 124.222 0.572 1
1 386 . 5 1 1 A 56 56 LEU H H 38 7.490 8.378 -0.888 1
1 387 . 5 1 1 A 56 56 LEU HA H 38 4.310 4.463 -0.153 1
1 397 . 5 1 1 A 56 56 LEU C C 38 174.300 175.933 -1.633 1
1 398 . 5 1 1 A 56 56 LEU CA C 38 53.416 54.560 -1.144 1
1 399 . 5 1 1 A 56 56 LEU CB C 38 41.386 42.672 -1.286 1
1 403 . 5 1 1 A 56 56 LEU N N 38 130.713 129.089 1.624 1
1 404 . 5 1 1 A 57 57 ARG H H 39 7.930 8.211 -0.281 1
1 405 . 5 1 1 A 57 57 ARG HA H 39 3.994 4.399 -0.405 1
1 412 . 5 1 1 A 57 57 ARG CA C 39 57.374 55.996 1.378 1
1 413 . 5 1 1 A 57 57 ARG CB C 39 30.517 30.926 -0.409 1
1 416 . 5 1 1 A 57 57 ARG N N 39 122.866 125.890 -3.024 1
1 417 . 5 1 1 A 58 58 MET H H 40 8.408 8.362 0.046 1
1 418 . 5 1 1 A 58 58 MET HA H 40 4.706 5.003 -0.297 1
1 423 . 5 1 1 A 58 58 MET C C 40 175.160 175.818 -0.658 1
1 424 . 5 1 1 A 58 58 MET CA C 40 53.908 53.466 0.442 1
1 425 . 5 1 1 A 58 58 MET CB C 40 36.603 34.883 1.720 1
1 427 . 5 1 1 A 58 58 MET N N 40 121.024 123.228 -2.204 1
1 428 . 5 1 1 A 59 59 ASP H H 41 8.419 8.496 -0.077 1
1 429 . 5 1 1 A 59 59 ASP HA H 41 4.588 4.712 -0.124 1
1 432 . 5 1 1 A 59 59 ASP CA C 41 53.699 53.973 -0.274 1
1 433 . 5 1 1 A 59 59 ASP CB C 41 41.540 42.077 -0.537 1
1 434 . 5 1 1 A 59 59 ASP N N 41 120.478 120.977 -0.499 1
1 435 . 5 1 1 A 60 60 ASN HA H 42 4.317 4.491 -0.174 1
1 440 . 5 1 1 A 60 60 ASN C C 42 177.739 177.978 -0.239 1
1 441 . 5 1 1 A 60 60 ASN CA C 42 56.637 56.195 0.442 1
1 442 . 5 1 1 A 60 60 ASN CB C 42 37.586 37.463 0.123 1
1 444 . 5 1 1 A 61 61 ASN H H 43 8.442 8.283 0.159 1
1 445 . 5 1 1 A 61 61 ASN HA H 43 4.450 4.535 -0.085 1
1 448 . 5 1 1 A 61 61 ASN C C 43 177.439 177.270 0.169 1
1 449 . 5 1 1 A 61 61 ASN CA C 43 56.528 56.653 -0.125 1
1 450 . 5 1 1 A 61 61 ASN CB C 43 38.023 38.751 -0.728 1
1 451 . 5 1 1 A 61 61 ASN N N 43 118.960 118.860 0.100 1
1 452 . 5 1 1 A 62 62 ALA H H 44 8.229 8.257 -0.028 1
1 453 . 5 1 1 A 62 62 ALA HA H 44 4.102 4.091 0.011 1
1 457 . 5 1 1 A 62 62 ALA C C 44 180.973 180.193 0.780 1
1 458 . 5 1 1 A 62 62 ALA CA C 44 54.672 54.952 -0.280 1
1 459 . 5 1 1 A 62 62 ALA CB C 44 18.466 18.028 0.438 1
1 460 . 5 1 1 A 62 62 ALA N N 44 123.651 121.184 2.467 1
1 461 . 5 1 1 A 63 63 ALA H H 45 8.779 8.006 0.773 1
1 462 . 5 1 1 A 63 63 ALA HA H 45 4.238 4.271 -0.033 1
1 466 . 5 1 1 A 63 63 ALA C C 45 178.680 179.934 -1.254 1
1 467 . 5 1 1 A 63 63 ALA CA C 45 54.945 54.959 -0.014 1
1 468 . 5 1 1 A 63 63 ALA CB C 45 18.685 18.307 0.378 1
1 469 . 5 1 1 A 63 63 ALA N N 45 121.928 119.844 2.084 1
1 470 . 5 1 1 A 64 64 ALA H H 46 8.024 7.918 0.106 1
1 471 . 5 1 1 A 64 64 ALA HA H 46 4.109 4.286 -0.177 1
1 475 . 5 1 1 A 64 64 ALA C C 46 179.731 179.813 -0.082 1
1 476 . 5 1 1 A 64 64 ALA CA C 46 55.873 54.957 0.916 1
1 477 . 5 1 1 A 64 64 ALA CB C 46 17.853 18.376 -0.523 1
1 478 . 5 1 1 A 64 64 ALA N N 46 121.126 120.102 1.024 1
1 479 . 5 1 1 A 65 65 ILE H H 47 7.220 7.939 -0.719 1
1 480 . 5 1 1 A 65 65 ILE HA H 47 3.740 3.664 0.076 1
1 490 . 5 1 1 A 65 65 ILE C C 47 179.049 178.182 0.867 1
1 491 . 5 1 1 A 65 65 ILE CA C 47 64.061 65.574 -1.513 1
1 492 . 5 1 1 A 65 65 ILE CB C 47 38.528 37.837 0.691 1
1 496 . 5 1 1 A 65 65 ILE N N 47 117.953 118.923 -0.970 1
1 497 . 5 1 1 A 66 66 LYS H H 48 8.363 8.114 0.249 1
1 498 . 5 1 1 A 66 66 LYS HA H 48 4.062 4.053 0.009 1
1 507 . 5 1 1 A 66 66 LYS C C 48 177.739 178.993 -1.254 1
1 508 . 5 1 1 A 66 66 LYS CA C 48 57.074 58.611 -1.537 1
1 509 . 5 1 1 A 66 66 LYS CB C 48 31.472 31.824 -0.352 1
1 513 . 5 1 1 A 66 66 LYS N N 48 121.894 120.713 1.181 1
1 514 . 5 1 1 A 67 67 ALA H H 49 8.730 8.286 0.444 1
1 515 . 5 1 1 A 67 67 ALA HA H 49 3.682 4.169 -0.487 1
1 519 . 5 1 1 A 67 67 ALA C C 49 178.339 180.429 -2.090 1
1 520 . 5 1 1 A 67 67 ALA CA C 49 56.037 55.097 0.940 1
1 521 . 5 1 1 A 67 67 ALA CB C 49 18.126 18.443 -0.317 1
1 522 . 5 1 1 A 67 67 ALA N N 49 121.723 122.190 -0.467 1
1 523 . 5 1 1 A 68 68 LEU H H 50 6.888 7.975 -1.087 1
1 524 . 5 1 1 A 68 68 LEU HA H 50 4.020 4.069 -0.049 1
1 534 . 5 1 1 A 68 68 LEU C C 50 178.776 179.243 -0.467 1
1 535 . 5 1 1 A 68 68 LEU CA C 50 57.892 57.442 0.450 1
1 536 . 5 1 1 A 68 68 LEU CB C 50 41.832 41.510 0.322 1
1 540 . 5 1 1 A 68 68 LEU N N 50 115.156 118.866 -3.710 1
1 541 . 5 1 1 A 69 69 GLU H H 51 7.216 8.017 -0.801 1
1 542 . 5 1 1 A 69 69 GLU HA H 51 3.836 4.007 -0.171 1
1 547 . 5 1 1 A 69 69 GLU C C 51 178.721 178.988 -0.267 1
1 548 . 5 1 1 A 69 69 GLU CA C 51 59.257 59.239 0.018 1
1 549 . 5 1 1 A 69 69 GLU CB C 51 29.343 29.367 -0.024 1
1 551 . 5 1 1 A 69 69 GLU N N 51 119.727 120.235 -0.508 1
1 552 . 5 1 1 A 70 70 LEU H H 52 8.326 8.183 0.143 1
1 553 . 5 1 1 A 70 70 LEU HA H 52 3.501 3.725 -0.224 1
1 563 . 5 1 1 A 70 70 LEU C C 52 178.421 178.339 0.082 1
1 564 . 5 1 1 A 70 70 LEU CA C 52 56.814 57.450 -0.636 1
1 565 . 5 1 1 A 70 70 LEU CB C 52 39.497 40.423 -0.926 1
1 569 . 5 1 1 A 70 70 LEU N N 52 117.442 119.318 -1.876 1
1 570 . 5 1 1 A 71 71 TYR H H 53 7.440 7.850 -0.410 1
1 571 . 5 1 1 A 71 71 TYR HA H 53 4.010 3.630 0.380 1
1 578 . 5 1 1 A 71 71 TYR C C 53 177.602 177.727 -0.125 1
1 579 . 5 1 1 A 71 71 TYR CA C 53 60.751 61.333 -0.582 1
1 580 . 5 1 1 A 71 71 TYR CB C 53 38.221 38.461 -0.240 1
1 583 . 5 1 1 A 71 71 TYR N N 53 118.670 120.378 -1.708 1
1 584 . 5 1 1 A 72 72 LYS H H 54 7.720 7.809 -0.089 1
1 585 . 5 1 1 A 72 72 LYS HA H 54 3.543 3.836 -0.293 1
1 594 . 5 1 1 A 72 72 LYS C C 54 178.216 177.718 0.498 1
1 595 . 5 1 1 A 72 72 LYS CA C 54 59.475 58.925 0.550 1
1 596 . 5 1 1 A 72 72 LYS CB C 54 32.400 32.006 0.394 1
1 600 . 5 1 1 A 72 72 LYS N N 54 120.512 118.173 2.339 1
1 601 . 5 1 1 A 73 73 ILE H H 55 7.265 7.471 -0.206 1
1 602 . 5 1 1 A 73 73 ILE HA H 55 4.327 4.070 0.257 1
1 610 . 5 1 1 A 73 73 ILE CA C 55 60.625 60.784 -0.159 1
1 611 . 5 1 1 A 73 73 ILE CB C 55 38.244 37.580 0.664 1
1 614 . 5 1 1 A 73 73 ILE N N 55 109.032 115.851 -6.819 1
1 615 . 5 1 1 A 74 74 ASN HA H 56 4.225 4.302 -0.077 1
1 620 . 5 1 1 A 74 74 ASN C C 56 174.532 174.505 0.027 1
1 621 . 5 1 1 A 74 74 ASN CA C 56 53.853 54.368 -0.515 1
1 622 . 5 1 1 A 74 74 ASN CB C 56 37.027 36.563 0.464 1
1 624 . 5 1 1 A 75 75 ALA H H 57 7.653 7.669 -0.016 1
1 625 . 5 1 1 A 75 75 ALA HA H 57 4.126 4.388 -0.262 1
1 629 . 5 1 1 A 75 75 ALA C C 57 177.848 177.063 0.785 1
1 630 . 5 1 1 A 75 75 ALA CA C 57 51.969 51.784 0.185 1
1 631 . 5 1 1 A 75 75 ALA CB C 57 20.500 20.214 0.286 1
1 632 . 5 1 1 A 75 75 ALA N N 57 119.216 119.026 0.190 1
1 633 . 5 1 1 A 76 76 LYS H H 58 8.612 8.618 -0.006 1
1 634 . 5 1 1 A 76 76 LYS HA H 58 3.999 4.466 -0.467 1
1 643 . 5 1 1 A 76 76 LYS C C 58 176.142 175.944 0.198 1
1 644 . 5 1 1 A 76 76 LYS CA C 58 58.220 56.206 2.014 1
1 645 . 5 1 1 A 76 76 LYS CB C 58 32.673 32.555 0.118 1
1 649 . 5 1 1 A 76 76 LYS N N 58 122.696 119.507 3.189 1
1 650 . 5 1 1 A 77 77 LEU H H 59 8.427 8.854 -0.427 1
1 651 . 5 1 1 A 77 77 LEU HA H 59 4.954 4.488 0.466 1
1 661 . 5 1 1 A 77 77 LEU C C 59 177.712 176.770 0.942 1
1 662 . 5 1 1 A 77 77 LEU CA C 59 52.843 54.893 -2.050 1
1 663 . 5 1 1 A 77 77 LEU CB C 59 43.611 41.979 1.632 1
1 667 . 5 1 1 A 77 77 LEU N N 59 129.775 126.775 3.000 1
1 668 . 5 1 1 A 78 78 CYS H H 60 8.573 8.796 -0.223 1
1 669 . 5 1 1 A 78 78 CYS HA H 60 3.938 4.549 -0.611 1
1 672 . 5 1 1 A 78 78 CYS C C 60 176.265 174.262 2.003 1
1 673 . 5 1 1 A 78 78 CYS CA C 60 61.768 59.333 2.435 1
1 674 . 5 1 1 A 78 78 CYS CB C 60 31.103 29.732 1.371 1
1 675 . 5 1 1 A 78 78 CYS N N 60 126.244 122.908 3.336 1
1 676 . 5 1 1 A 79 79 ASP H H 61 8.570 7.602 0.968 1
1 677 . 5 1 1 A 79 79 ASP HA H 61 4.765 4.714 0.051 1
1 680 . 5 1 1 A 79 79 ASP CA C 61 52.464 53.136 -0.672 1
1 681 . 5 1 1 A 79 79 ASP CB C 61 40.598 40.198 0.400 1
1 682 . 5 1 1 A 79 79 ASP N N 61 123.037 121.454 1.583 1
1 683 . 5 1 1 A 80 80 PRO HA H 62 4.351 4.588 -0.237 1
1 690 . 5 1 1 A 80 80 PRO C C 62 175.296 175.628 -0.332 1
1 691 . 5 1 1 A 80 80 PRO CA C 62 63.419 62.966 0.453 1
1 692 . 5 1 1 A 80 80 PRO CB C 62 31.963 32.528 -0.565 1
1 695 . 5 1 1 A 81 81 HIS H H 63 8.283 8.574 -0.291 1
1 696 . 5 1 1 A 81 81 HIS HA H 63 4.737 5.095 -0.358 1
1 697 . 5 1 1 A 81 81 HIS CA C 63 54.272 53.452 0.820 1
1 698 . 5 1 1 A 81 81 HIS N N 63 122.934 122.609 0.325 1
1 1 . 6 1 1 A 20 20 LYS HA H 2 4.205 4.331 -0.126 1
1 8 . 6 1 1 A 20 20 LYS C C 2 176.538 177.001 -0.463 1
1 9 . 6 1 1 A 20 20 LYS CA C 2 56.364 56.537 -0.173 1
1 10 . 6 1 1 A 20 20 LYS CB C 2 30.708 32.875 -2.167 1
1 13 . 6 1 1 A 21 21 ARG H H 3 8.541 9.060 -0.519 1
1 14 . 6 1 1 A 21 21 ARG N N 3 120.785 122.871 -2.086 1
1 15 . 6 1 1 A 22 22 ALA HA H 4 4.082 4.176 -0.094 1
1 19 . 6 1 1 A 22 22 ALA CA C 4 54.047 54.978 -0.931 1
1 20 . 6 1 1 A 22 22 ALA CB C 4 18.824 18.178 0.646 1
1 21 . 6 1 1 A 23 23 ALA HA H 5 4.177 4.097 0.080 1
1 25 . 6 1 1 A 23 23 ALA C C 5 178.940 179.698 -0.758 1
1 26 . 6 1 1 A 23 23 ALA CA C 5 53.798 54.910 -1.112 1
1 27 . 6 1 1 A 23 23 ALA CB C 5 18.753 18.357 0.396 1
1 28 . 6 1 1 A 24 24 ALA H H 6 7.783 7.841 -0.058 1
1 29 . 6 1 1 A 24 24 ALA HA H 6 4.007 4.205 -0.198 1
1 33 . 6 1 1 A 24 24 ALA C C 6 178.203 179.950 -1.747 1
1 34 . 6 1 1 A 24 24 ALA CA C 6 54.590 55.093 -0.503 1
1 35 . 6 1 1 A 24 24 ALA CB C 6 18.494 18.408 0.086 1
1 36 . 6 1 1 A 24 24 ALA N N 6 121.484 120.792 0.692 1
1 37 . 6 1 1 A 25 25 LYS H H 7 7.921 7.898 0.023 1
1 38 . 6 1 1 A 25 25 LYS HA H 7 3.723 3.965 -0.242 1
1 47 . 6 1 1 A 25 25 LYS C C 7 178.121 179.071 -0.950 1
1 48 . 6 1 1 A 25 25 LYS CA C 7 59.475 59.042 0.433 1
1 49 . 6 1 1 A 25 25 LYS CB C 7 32.382 32.016 0.366 1
1 53 . 6 1 1 A 25 25 LYS N N 7 117.083 118.988 -1.905 1
1 54 . 6 1 1 A 26 26 HIS H H 8 7.810 8.097 -0.287 1
1 55 . 6 1 1 A 26 26 HIS HA H 8 4.327 4.394 -0.067 1
1 58 . 6 1 1 A 26 26 HIS C C 8 175.774 178.058 -2.284 1
1 59 . 6 1 1 A 26 26 HIS CA C 8 58.657 59.637 -0.980 1
1 60 . 6 1 1 A 26 26 HIS CB C 8 30.271 29.980 0.291 1
1 61 . 6 1 1 A 26 26 HIS N N 8 117.117 118.444 -1.327 1
1 62 . 6 1 1 A 27 27 LEU H H 9 7.710 8.158 -0.448 1
1 63 . 6 1 1 A 27 27 LEU HA H 9 3.921 4.026 -0.105 1
1 72 . 6 1 1 A 27 27 LEU C C 9 178.585 178.928 -0.343 1
1 73 . 6 1 1 A 27 27 LEU CA C 9 58.002 58.292 -0.290 1
1 74 . 6 1 1 A 27 27 LEU CB C 9 42.288 41.835 0.453 1
1 77 . 6 1 1 A 27 27 LEU N N 9 120.717 119.366 1.351 1
1 78 . 6 1 1 A 28 28 ILE H H 10 8.559 8.096 0.463 1
1 79 . 6 1 1 A 28 28 ILE HA H 10 3.656 3.750 -0.094 1
1 89 . 6 1 1 A 28 28 ILE C C 10 178.148 178.347 -0.199 1
1 90 . 6 1 1 A 28 28 ILE CA C 10 66.845 64.903 1.942 1
1 91 . 6 1 1 A 28 28 ILE CB C 10 37.913 37.315 0.598 1
1 95 . 6 1 1 A 28 28 ILE N N 10 120.086 119.910 0.176 1
1 96 . 6 1 1 A 29 29 GLU H H 11 7.849 8.218 -0.369 1
1 97 . 6 1 1 A 29 29 GLU HA H 11 4.013 4.095 -0.082 1
1 102 . 6 1 1 A 29 29 GLU C C 11 179.376 179.264 0.112 1
1 103 . 6 1 1 A 29 29 GLU CA C 11 59.584 59.341 0.243 1
1 104 . 6 1 1 A 29 29 GLU CB C 11 29.070 29.303 -0.233 1
1 106 . 6 1 1 A 29 29 GLU N N 11 118.346 121.699 -3.353 1
1 107 . 6 1 1 A 30 30 ARG H H 12 7.839 7.535 0.304 1
1 108 . 6 1 1 A 30 30 ARG HA H 12 4.064 4.073 -0.009 1
1 115 . 6 1 1 A 30 30 ARG C C 12 180.318 178.948 1.370 1
1 116 . 6 1 1 A 30 30 ARG CA C 12 59.585 58.766 0.819 1
1 117 . 6 1 1 A 30 30 ARG CB C 12 29.234 30.232 -0.998 1
1 120 . 6 1 1 A 30 30 ARG N N 12 120.904 119.458 1.446 1
1 121 . 6 1 1 A 31 31 TYR H H 13 8.545 8.093 0.452 1
1 122 . 6 1 1 A 31 31 TYR HA H 13 4.064 4.309 -0.245 1
1 129 . 6 1 1 A 31 31 TYR C C 13 177.725 178.730 -1.005 1
1 130 . 6 1 1 A 31 31 TYR CA C 13 63.351 59.855 3.496 1
1 131 . 6 1 1 A 31 31 TYR CB C 13 38.623 37.942 0.681 1
1 134 . 6 1 1 A 31 31 TYR N N 13 120.393 119.715 0.678 1
1 135 . 6 1 1 A 32 32 TYR H H 14 8.783 9.025 -0.242 1
1 136 . 6 1 1 A 32 32 TYR HA H 14 3.948 4.278 -0.330 1
1 143 . 6 1 1 A 32 32 TYR C C 14 178.599 177.372 1.227 1
1 144 . 6 1 1 A 32 32 TYR CA C 14 62.669 61.469 1.200 1
1 145 . 6 1 1 A 32 32 TYR CB C 14 38.350 38.156 0.194 1
1 148 . 6 1 1 A 32 32 TYR N N 14 120.342 118.886 1.456 1
1 149 . 6 1 1 A 33 33 HIS H H 15 8.740 8.251 0.489 1
1 150 . 6 1 1 A 33 33 HIS HA H 15 3.906 4.199 -0.293 1
1 153 . 6 1 1 A 33 33 HIS C C 15 177.834 176.520 1.314 1
1 154 . 6 1 1 A 33 33 HIS CA C 15 60.622 60.130 0.492 1
1 155 . 6 1 1 A 33 33 HIS CB C 15 30.599 29.219 1.380 1
1 156 . 6 1 1 A 33 33 HIS N N 15 121.297 119.544 1.753 1
1 157 . 6 1 1 A 34 34 GLN H H 16 8.371 8.036 0.335 1
1 158 . 6 1 1 A 34 34 GLN HA H 16 3.709 3.917 -0.208 1
1 165 . 6 1 1 A 34 34 GLN C C 16 176.238 178.478 -2.240 1
1 166 . 6 1 1 A 34 34 GLN CA C 16 60.185 58.803 1.382 1
1 167 . 6 1 1 A 34 34 GLN CB C 16 30.653 28.026 2.627 1
1 169 . 6 1 1 A 34 34 GLN N N 16 122.576 118.191 4.385 1
1 171 . 6 1 1 A 35 35 LEU H H 17 7.916 7.976 -0.060 1
1 172 . 6 1 1 A 35 35 LEU HA H 17 3.978 3.717 0.261 1
1 182 . 6 1 1 A 35 35 LEU C C 17 175.624 179.159 -3.535 1
1 183 . 6 1 1 A 35 35 LEU CA C 17 56.377 57.682 -1.305 1
1 184 . 6 1 1 A 35 35 LEU CB C 17 45.098 41.665 3.433 1
1 188 . 6 1 1 A 35 35 LEU N N 17 116.299 119.366 -3.067 1
1 189 . 6 1 1 A 36 36 THR H H 18 7.148 7.415 -0.267 1
1 190 . 6 1 1 A 36 36 THR HA H 18 4.215 4.157 0.058 1
1 195 . 6 1 1 A 36 36 THR C C 18 174.709 176.942 -2.233 1
1 196 . 6 1 1 A 36 36 THR CA C 18 61.522 64.367 -2.845 1
1 197 . 6 1 1 A 36 36 THR CB C 18 70.434 69.011 1.423 1
1 199 . 6 1 1 A 36 36 THR N N 18 105.023 110.458 -5.435 1
1 200 . 6 1 1 A 37 37 GLU H H 19 8.234 7.703 0.531 1
1 201 . 6 1 1 A 37 37 GLU HA H 19 4.187 4.034 0.153 1
1 206 . 6 1 1 A 37 37 GLU C C 19 177.657 177.382 0.275 1
1 207 . 6 1 1 A 37 37 GLU CA C 19 56.855 56.802 0.053 1
1 208 . 6 1 1 A 37 37 GLU CB C 19 30.872 29.840 1.032 1
1 210 . 6 1 1 A 37 37 GLU N N 19 122.559 120.999 1.560 1
1 211 . 6 1 1 A 38 38 GLY H H 20 7.485 8.064 -0.579 1
1 212 . 6 1 1 A 38 38 GLY HA2 H 20 4.586 3.885 0.701 1
1 213 . 6 1 1 A 38 38 GLY HA3 H 20 4.358 3.902 0.456 1
1 214 . 6 1 1 A 38 38 GLY C C 20 172.976 174.475 -1.499 1
1 215 . 6 1 1 A 38 38 GLY CA C 20 44.177 46.596 -2.419 1
1 216 . 6 1 1 A 38 38 GLY N N 20 107.019 106.847 0.172 1
1 217 . 6 1 1 A 39 39 CYS H H 21 7.410 8.274 -0.864 1
1 218 . 6 1 1 A 39 39 CYS HA H 21 4.498 4.694 -0.196 1
1 221 . 6 1 1 A 39 39 CYS C C 21 176.865 175.773 1.092 1
1 222 . 6 1 1 A 39 39 CYS CA C 21 58.493 58.437 0.056 1
1 223 . 6 1 1 A 39 39 CYS CB C 21 31.636 29.252 2.384 1
1 224 . 6 1 1 A 39 39 CYS N N 21 118.260 123.820 -5.560 1
1 225 . 6 1 1 A 40 40 GLY H H 22 8.670 8.265 0.405 1
1 226 . 6 1 1 A 40 40 GLY HA2 H 22 4.260 3.965 0.295 1
1 227 . 6 1 1 A 40 40 GLY HA3 H 22 3.505 3.973 -0.468 1
1 228 . 6 1 1 A 40 40 GLY C C 22 173.618 174.506 -0.888 1
1 229 . 6 1 1 A 40 40 GLY CA C 22 45.188 45.074 0.114 1
1 230 . 6 1 1 A 40 40 GLY N N 22 112.324 110.813 1.511 1
1 231 . 6 1 1 A 41 41 ASN H H 23 8.379 7.961 0.418 1
1 232 . 6 1 1 A 41 41 ASN HA H 23 4.452 4.723 -0.271 1
1 237 . 6 1 1 A 41 41 ASN C C 23 175.132 175.897 -0.765 1
1 238 . 6 1 1 A 41 41 ASN CA C 23 52.106 54.336 -2.230 1
1 239 . 6 1 1 A 41 41 ASN CB C 23 38.678 39.099 -0.421 1
1 240 . 6 1 1 A 41 41 ASN N N 23 122.184 119.351 2.833 1
1 242 . 6 1 1 A 42 42 GLU H H 24 8.769 8.700 0.069 1
1 243 . 6 1 1 A 42 42 GLU HA H 24 4.167 4.172 -0.005 1
1 248 . 6 1 1 A 42 42 GLU C C 24 175.801 176.749 -0.948 1
1 249 . 6 1 1 A 42 42 GLU CA C 24 57.947 58.920 -0.973 1
1 250 . 6 1 1 A 42 42 GLU CB C 24 29.016 30.358 -1.342 1
1 252 . 6 1 1 A 42 42 GLU N N 24 124.589 123.768 0.821 1
1 253 . 6 1 1 A 43 43 ALA H H 25 7.839 7.627 0.212 1
1 254 . 6 1 1 A 43 43 ALA HA H 25 4.381 4.543 -0.162 1
1 258 . 6 1 1 A 43 43 ALA C C 25 175.842 176.384 -0.542 1
1 259 . 6 1 1 A 43 43 ALA CA C 25 50.319 51.240 -0.921 1
1 260 . 6 1 1 A 43 43 ALA CB C 25 18.563 19.294 -0.731 1
1 261 . 6 1 1 A 43 43 ALA N N 25 121.706 121.377 0.329 1
1 262 . 6 1 1 A 44 44 CYS H H 26 7.350 8.928 -1.578 1
1 263 . 6 1 1 A 44 44 CYS HA H 26 3.757 5.080 -1.323 1
1 266 . 6 1 1 A 44 44 CYS C C 26 176.019 172.823 3.196 1
1 267 . 6 1 1 A 44 44 CYS CA C 26 62.696 57.329 5.367 1
1 268 . 6 1 1 A 44 44 CYS CB C 26 29.671 30.135 -0.464 1
1 269 . 6 1 1 A 44 44 CYS N N 26 124.265 123.795 0.470 1
1 270 . 6 1 1 A 45 45 THR H H 27 7.872 9.084 -1.212 1
1 271 . 6 1 1 A 45 45 THR HA H 27 4.511 4.534 -0.023 1
1 276 . 6 1 1 A 45 45 THR C C 27 174.969 173.213 1.756 1
1 277 . 6 1 1 A 45 45 THR CA C 27 61.113 60.617 0.496 1
1 278 . 6 1 1 A 45 45 THR CB C 27 69.834 67.255 2.579 1
1 280 . 6 1 1 A 45 45 THR N N 27 115.292 122.866 -7.574 1
1 281 . 6 1 1 A 46 46 ASN H H 28 9.336 7.583 1.753 1
1 282 . 6 1 1 A 46 46 ASN HA H 28 4.430 5.107 -0.677 1
1 287 . 6 1 1 A 46 46 ASN C C 28 174.273 175.298 -1.025 1
1 288 . 6 1 1 A 46 46 ASN CA C 28 53.144 51.964 1.180 1
1 289 . 6 1 1 A 46 46 ASN CB C 28 38.500 40.891 -2.391 1
1 290 . 6 1 1 A 46 46 ASN N N 28 127.779 124.848 2.931 1
1 292 . 6 1 1 A 47 47 GLU H H 29 8.499 8.908 -0.409 1
1 293 . 6 1 1 A 47 47 GLU HA H 29 4.006 4.038 -0.032 1
1 298 . 6 1 1 A 47 47 GLU C C 29 175.815 176.789 -0.974 1
1 299 . 6 1 1 A 47 47 GLU CA C 29 58.111 58.564 -0.453 1
1 300 . 6 1 1 A 47 47 GLU CB C 29 29.070 28.751 0.319 1
1 302 . 6 1 1 A 47 47 GLU N N 29 123.804 125.402 -1.598 1
1 303 . 6 1 1 A 48 48 PHE H H 30 7.423 7.673 -0.250 1
1 304 . 6 1 1 A 48 48 PHE HA H 30 4.860 4.564 0.296 1
1 311 . 6 1 1 A 48 48 PHE C C 30 171.980 174.974 -2.994 1
1 312 . 6 1 1 A 48 48 PHE CA C 30 56.336 57.331 -0.995 1
1 313 . 6 1 1 A 48 48 PHE CB C 30 38.132 39.256 -1.124 1
1 316 . 6 1 1 A 48 48 PHE N N 30 117.186 117.581 -0.395 1
1 317 . 6 1 1 A 49 49 CYS H H 31 7.420 7.139 0.281 1
1 318 . 6 1 1 A 49 49 CYS HA H 31 4.264 4.494 -0.230 1
1 321 . 6 1 1 A 49 49 CYS C C 31 174.436 173.722 0.714 1
1 322 . 6 1 1 A 49 49 CYS CA C 31 57.047 56.901 0.146 1
1 323 . 6 1 1 A 49 49 CYS CB C 31 33.492 30.224 3.268 1
1 324 . 6 1 1 A 49 49 CYS N N 31 121.843 120.062 1.781 1
1 325 . 6 1 1 A 50 50 ALA H H 32 7.949 8.643 -0.694 1
1 326 . 6 1 1 A 50 50 ALA HA H 32 2.992 4.615 -1.623 1
1 330 . 6 1 1 A 50 50 ALA C C 32 178.762 177.981 0.781 1
1 331 . 6 1 1 A 50 50 ALA CA C 32 53.007 52.299 0.708 1
1 332 . 6 1 1 A 50 50 ALA CB C 32 17.007 19.757 -2.750 1
1 333 . 6 1 1 A 50 50 ALA N N 32 128.103 127.768 0.335 1
1 334 . 6 1 1 A 51 51 SER H H 33 9.507 8.808 0.699 1
1 335 . 6 1 1 A 51 51 SER HA H 33 4.299 4.123 0.176 1
1 338 . 6 1 1 A 51 51 SER C C 33 173.399 173.438 -0.039 1
1 339 . 6 1 1 A 51 51 SER CA C 33 60.840 60.207 0.633 1
1 340 . 6 1 1 A 51 51 SER CB C 33 63.679 61.630 2.049 1
1 341 . 6 1 1 A 51 51 SER N N 33 119.062 111.731 7.331 1
1 342 . 6 1 1 A 52 52 CYS H H 34 7.978 7.889 0.089 1
1 343 . 6 1 1 A 52 52 CYS HA H 34 4.652 4.886 -0.234 1
1 346 . 6 1 1 A 52 52 CYS CA C 34 55.835 56.994 -1.159 1
1 347 . 6 1 1 A 52 52 CYS CB C 34 27.879 29.115 -1.236 1
1 348 . 6 1 1 A 52 52 CYS N N 34 124.589 119.191 5.398 1
1 349 . 6 1 1 A 53 53 PRO HA H 35 4.393 4.530 -0.137 1
1 356 . 6 1 1 A 53 53 PRO C C 35 177.889 177.133 0.756 1
1 357 . 6 1 1 A 53 53 PRO CA C 35 65.180 64.069 1.111 1
1 358 . 6 1 1 A 53 53 PRO CB C 35 32.850 31.770 1.080 1
1 361 . 6 1 1 A 54 54 THR H H 36 7.507 7.805 -0.298 1
1 362 . 6 1 1 A 54 54 THR HA H 36 4.314 4.392 -0.078 1
1 367 . 6 1 1 A 54 54 THR C C 36 174.177 173.920 0.257 1
1 368 . 6 1 1 A 54 54 THR CA C 36 61.195 61.852 -0.657 1
1 369 . 6 1 1 A 54 54 THR CB C 36 68.101 69.402 -1.301 1
1 371 . 6 1 1 A 54 54 THR N N 36 107.002 108.023 -1.021 1
1 372 . 6 1 1 A 55 55 PHE H H 37 7.716 7.455 0.261 1
1 373 . 6 1 1 A 55 55 PHE HA H 37 4.204 4.877 -0.673 1
1 380 . 6 1 1 A 55 55 PHE C C 37 175.228 173.265 1.963 1
1 381 . 6 1 1 A 55 55 PHE CA C 37 58.875 56.368 2.507 1
1 382 . 6 1 1 A 55 55 PHE CB C 37 40.942 42.774 -1.832 1
1 385 . 6 1 1 A 55 55 PHE N N 37 124.794 121.964 2.830 1
1 386 . 6 1 1 A 56 56 LEU H H 38 7.490 8.538 -1.048 1
1 387 . 6 1 1 A 56 56 LEU HA H 38 4.310 4.704 -0.394 1
1 397 . 6 1 1 A 56 56 LEU C C 38 174.300 176.437 -2.137 1
1 398 . 6 1 1 A 56 56 LEU CA C 38 53.416 52.881 0.535 1
1 399 . 6 1 1 A 56 56 LEU CB C 38 41.386 43.398 -2.012 1
1 403 . 6 1 1 A 56 56 LEU N N 38 130.713 127.122 3.591 1
1 404 . 6 1 1 A 57 57 ARG H H 39 7.930 8.279 -0.349 1
1 405 . 6 1 1 A 57 57 ARG HA H 39 3.994 4.307 -0.313 1
1 412 . 6 1 1 A 57 57 ARG CA C 39 57.374 56.112 1.262 1
1 413 . 6 1 1 A 57 57 ARG CB C 39 30.517 30.608 -0.091 1
1 416 . 6 1 1 A 57 57 ARG N N 39 122.866 121.454 1.412 1
1 417 . 6 1 1 A 58 58 MET H H 40 8.408 8.601 -0.193 1
1 418 . 6 1 1 A 58 58 MET HA H 40 4.706 5.139 -0.433 1
1 423 . 6 1 1 A 58 58 MET C C 40 175.160 174.390 0.770 1
1 424 . 6 1 1 A 58 58 MET CA C 40 53.908 52.894 1.014 1
1 425 . 6 1 1 A 58 58 MET CB C 40 36.603 34.369 2.234 1
1 427 . 6 1 1 A 58 58 MET N N 40 121.024 120.834 0.190 1
1 428 . 6 1 1 A 59 59 ASP H H 41 8.419 8.781 -0.362 1
1 429 . 6 1 1 A 59 59 ASP HA H 41 4.588 5.052 -0.464 1
1 432 . 6 1 1 A 59 59 ASP CA C 41 53.699 52.708 0.991 1
1 433 . 6 1 1 A 59 59 ASP CB C 41 41.540 43.187 -1.647 1
1 434 . 6 1 1 A 59 59 ASP N N 41 120.478 120.127 0.351 1
1 435 . 6 1 1 A 60 60 ASN HA H 42 4.317 4.506 -0.189 1
1 440 . 6 1 1 A 60 60 ASN C C 42 177.739 177.919 -0.180 1
1 441 . 6 1 1 A 60 60 ASN CA C 42 56.637 56.206 0.431 1
1 442 . 6 1 1 A 60 60 ASN CB C 42 37.586 37.389 0.197 1
1 444 . 6 1 1 A 61 61 ASN H H 43 8.442 7.752 0.690 1
1 445 . 6 1 1 A 61 61 ASN HA H 43 4.450 4.489 -0.039 1
1 448 . 6 1 1 A 61 61 ASN C C 43 177.439 177.543 -0.104 1
1 449 . 6 1 1 A 61 61 ASN CA C 43 56.528 56.254 0.274 1
1 450 . 6 1 1 A 61 61 ASN CB C 43 38.023 37.598 0.425 1
1 451 . 6 1 1 A 61 61 ASN N N 43 118.960 119.382 -0.422 1
1 452 . 6 1 1 A 62 62 ALA H H 44 8.229 8.144 0.085 1
1 453 . 6 1 1 A 62 62 ALA HA H 44 4.102 4.115 -0.013 1
1 457 . 6 1 1 A 62 62 ALA C C 44 180.973 180.129 0.844 1
1 458 . 6 1 1 A 62 62 ALA CA C 44 54.672 54.867 -0.195 1
1 459 . 6 1 1 A 62 62 ALA CB C 44 18.466 18.300 0.166 1
1 460 . 6 1 1 A 62 62 ALA N N 44 123.651 123.043 0.608 1
1 461 . 6 1 1 A 63 63 ALA H H 45 8.779 8.300 0.479 1
1 462 . 6 1 1 A 63 63 ALA HA H 45 4.238 4.287 -0.049 1
1 466 . 6 1 1 A 63 63 ALA C C 45 178.680 179.465 -0.785 1
1 467 . 6 1 1 A 63 63 ALA CA C 45 54.945 55.051 -0.106 1
1 468 . 6 1 1 A 63 63 ALA CB C 45 18.685 18.513 0.172 1
1 469 . 6 1 1 A 63 63 ALA N N 45 121.928 120.371 1.557 1
1 470 . 6 1 1 A 64 64 ALA H H 46 8.024 7.774 0.250 1
1 471 . 6 1 1 A 64 64 ALA HA H 46 4.109 4.251 -0.142 1
1 475 . 6 1 1 A 64 64 ALA C C 46 179.731 179.733 -0.002 1
1 476 . 6 1 1 A 64 64 ALA CA C 46 55.873 55.227 0.646 1
1 477 . 6 1 1 A 64 64 ALA CB C 46 17.853 18.234 -0.381 1
1 478 . 6 1 1 A 64 64 ALA N N 46 121.126 121.122 0.004 1
1 479 . 6 1 1 A 65 65 ILE H H 47 7.220 7.982 -0.762 1
1 480 . 6 1 1 A 65 65 ILE HA H 47 3.740 3.608 0.132 1
1 490 . 6 1 1 A 65 65 ILE C C 47 179.049 178.115 0.934 1
1 491 . 6 1 1 A 65 65 ILE CA C 47 64.061 65.635 -1.574 1
1 492 . 6 1 1 A 65 65 ILE CB C 47 38.528 37.953 0.575 1
1 496 . 6 1 1 A 65 65 ILE N N 47 117.953 118.451 -0.498 1
1 497 . 6 1 1 A 66 66 LYS H H 48 8.363 8.082 0.281 1
1 498 . 6 1 1 A 66 66 LYS HA H 48 4.062 4.013 0.049 1
1 507 . 6 1 1 A 66 66 LYS C C 48 177.739 178.792 -1.053 1
1 508 . 6 1 1 A 66 66 LYS CA C 48 57.074 58.624 -1.550 1
1 509 . 6 1 1 A 66 66 LYS CB C 48 31.472 32.096 -0.624 1
1 513 . 6 1 1 A 66 66 LYS N N 48 121.894 120.913 0.981 1
1 514 . 6 1 1 A 67 67 ALA H H 49 8.730 8.159 0.571 1
1 515 . 6 1 1 A 67 67 ALA HA H 49 3.682 4.144 -0.462 1
1 519 . 6 1 1 A 67 67 ALA C C 49 178.339 180.294 -1.955 1
1 520 . 6 1 1 A 67 67 ALA CA C 49 56.037 55.208 0.829 1
1 521 . 6 1 1 A 67 67 ALA CB C 49 18.126 18.151 -0.025 1
1 522 . 6 1 1 A 67 67 ALA N N 49 121.723 122.524 -0.801 1
1 523 . 6 1 1 A 68 68 LEU H H 50 6.888 7.934 -1.046 1
1 524 . 6 1 1 A 68 68 LEU HA H 50 4.020 4.021 -0.001 1
1 534 . 6 1 1 A 68 68 LEU C C 50 178.776 179.236 -0.460 1
1 535 . 6 1 1 A 68 68 LEU CA C 50 57.892 57.604 0.288 1
1 536 . 6 1 1 A 68 68 LEU CB C 50 41.832 41.317 0.515 1
1 540 . 6 1 1 A 68 68 LEU N N 50 115.156 118.591 -3.435 1
1 541 . 6 1 1 A 69 69 GLU H H 51 7.216 8.195 -0.979 1
1 542 . 6 1 1 A 69 69 GLU HA H 51 3.836 4.000 -0.164 1
1 547 . 6 1 1 A 69 69 GLU C C 51 178.721 179.215 -0.494 1
1 548 . 6 1 1 A 69 69 GLU CA C 51 59.257 59.325 -0.068 1
1 549 . 6 1 1 A 69 69 GLU CB C 51 29.343 29.126 0.217 1
1 551 . 6 1 1 A 69 69 GLU N N 51 119.727 119.206 0.521 1
1 552 . 6 1 1 A 70 70 LEU H H 52 8.326 8.183 0.143 1
1 553 . 6 1 1 A 70 70 LEU HA H 52 3.501 3.661 -0.160 1
1 563 . 6 1 1 A 70 70 LEU C C 52 178.421 178.389 0.032 1
1 564 . 6 1 1 A 70 70 LEU CA C 52 56.814 57.440 -0.626 1
1 565 . 6 1 1 A 70 70 LEU CB C 52 39.497 40.727 -1.230 1
1 569 . 6 1 1 A 70 70 LEU N N 52 117.442 119.274 -1.832 1
1 570 . 6 1 1 A 71 71 TYR H H 53 7.440 7.782 -0.342 1
1 571 . 6 1 1 A 71 71 TYR HA H 53 4.010 3.517 0.493 1
1 578 . 6 1 1 A 71 71 TYR C C 53 177.602 177.857 -0.255 1
1 579 . 6 1 1 A 71 71 TYR CA C 53 60.751 61.242 -0.491 1
1 580 . 6 1 1 A 71 71 TYR CB C 53 38.221 38.640 -0.419 1
1 583 . 6 1 1 A 71 71 TYR N N 53 118.670 119.665 -0.995 1
1 584 . 6 1 1 A 72 72 LYS H H 54 7.720 8.003 -0.283 1
1 585 . 6 1 1 A 72 72 LYS HA H 54 3.543 3.982 -0.439 1
1 594 . 6 1 1 A 72 72 LYS C C 54 178.216 177.483 0.733 1
1 595 . 6 1 1 A 72 72 LYS CA C 54 59.475 58.475 1.000 1
1 596 . 6 1 1 A 72 72 LYS CB C 54 32.400 31.724 0.676 1
1 600 . 6 1 1 A 72 72 LYS N N 54 120.512 117.759 2.753 1
1 601 . 6 1 1 A 73 73 ILE H H 55 7.265 7.412 -0.147 1
1 602 . 6 1 1 A 73 73 ILE HA H 55 4.327 4.091 0.236 1
1 610 . 6 1 1 A 73 73 ILE CA C 55 60.625 60.877 -0.252 1
1 611 . 6 1 1 A 73 73 ILE CB C 55 38.244 38.816 -0.572 1
1 614 . 6 1 1 A 73 73 ILE N N 55 109.032 115.266 -6.234 1
1 615 . 6 1 1 A 74 74 ASN HA H 56 4.225 4.213 0.012 1
1 620 . 6 1 1 A 74 74 ASN C C 56 174.532 174.072 0.460 1
1 621 . 6 1 1 A 74 74 ASN CA C 56 53.853 54.166 -0.313 1
1 622 . 6 1 1 A 74 74 ASN CB C 56 37.027 36.480 0.547 1
1 624 . 6 1 1 A 75 75 ALA H H 57 7.653 7.791 -0.138 1
1 625 . 6 1 1 A 75 75 ALA HA H 57 4.126 4.558 -0.432 1
1 629 . 6 1 1 A 75 75 ALA C C 57 177.848 176.857 0.991 1
1 630 . 6 1 1 A 75 75 ALA CA C 57 51.969 51.691 0.278 1
1 631 . 6 1 1 A 75 75 ALA CB C 57 20.500 20.911 -0.411 1
1 632 . 6 1 1 A 75 75 ALA N N 57 119.216 119.824 -0.608 1
1 633 . 6 1 1 A 76 76 LYS H H 58 8.612 8.508 0.104 1
1 634 . 6 1 1 A 76 76 LYS HA H 58 3.999 4.423 -0.424 1
1 643 . 6 1 1 A 76 76 LYS C C 58 176.142 175.756 0.386 1
1 644 . 6 1 1 A 76 76 LYS CA C 58 58.220 56.351 1.869 1
1 645 . 6 1 1 A 76 76 LYS CB C 58 32.673 32.133 0.540 1
1 649 . 6 1 1 A 76 76 LYS N N 58 122.696 119.014 3.682 1
1 650 . 6 1 1 A 77 77 LEU H H 59 8.427 8.747 -0.320 1
1 651 . 6 1 1 A 77 77 LEU HA H 59 4.954 4.671 0.283 1
1 661 . 6 1 1 A 77 77 LEU C C 59 177.712 176.912 0.800 1
1 662 . 6 1 1 A 77 77 LEU CA C 59 52.843 54.621 -1.778 1
1 663 . 6 1 1 A 77 77 LEU CB C 59 43.611 42.925 0.686 1
1 667 . 6 1 1 A 77 77 LEU N N 59 129.775 126.621 3.154 1
1 668 . 6 1 1 A 78 78 CYS H H 60 8.573 8.693 -0.120 1
1 669 . 6 1 1 A 78 78 CYS HA H 60 3.938 4.440 -0.502 1
1 672 . 6 1 1 A 78 78 CYS C C 60 176.265 174.153 2.112 1
1 673 . 6 1 1 A 78 78 CYS CA C 60 61.768 59.346 2.422 1
1 674 . 6 1 1 A 78 78 CYS CB C 60 31.103 28.728 2.375 1
1 675 . 6 1 1 A 78 78 CYS N N 60 126.244 125.611 0.633 1
1 676 . 6 1 1 A 79 79 ASP H H 61 8.570 7.733 0.837 1
1 677 . 6 1 1 A 79 79 ASP HA H 61 4.765 4.690 0.075 1
1 680 . 6 1 1 A 79 79 ASP CA C 61 52.464 52.285 0.179 1
1 681 . 6 1 1 A 79 79 ASP CB C 61 40.598 40.860 -0.262 1
1 682 . 6 1 1 A 79 79 ASP N N 61 123.037 121.431 1.606 1
1 683 . 6 1 1 A 80 80 PRO HA H 62 4.351 4.300 0.051 1
1 690 . 6 1 1 A 80 80 PRO C C 62 175.296 176.769 -1.473 1
1 691 . 6 1 1 A 80 80 PRO CA C 62 63.419 63.115 0.304 1
1 692 . 6 1 1 A 80 80 PRO CB C 62 31.963 31.587 0.376 1
1 695 . 6 1 1 A 81 81 HIS H H 63 8.283 7.966 0.317 1
1 696 . 6 1 1 A 81 81 HIS HA H 63 4.737 4.778 -0.041 1
1 697 . 6 1 1 A 81 81 HIS CA C 63 54.272 54.719 -0.447 1
1 698 . 6 1 1 A 81 81 HIS N N 63 122.934 117.733 5.201 1
1 1 . 7 1 1 A 20 20 LYS HA H 2 4.205 4.417 -0.212 1
1 8 . 7 1 1 A 20 20 LYS C C 2 176.538 176.814 -0.276 1
1 9 . 7 1 1 A 20 20 LYS CA C 2 56.364 55.682 0.682 1
1 10 . 7 1 1 A 20 20 LYS CB C 2 30.708 32.915 -2.207 1
1 13 . 7 1 1 A 21 21 ARG H H 3 8.541 8.660 -0.119 1
1 14 . 7 1 1 A 21 21 ARG N N 3 120.785 126.498 -5.713 1
1 15 . 7 1 1 A 22 22 ALA HA H 4 4.082 3.941 0.141 1
1 19 . 7 1 1 A 22 22 ALA CA C 4 54.047 54.730 -0.683 1
1 20 . 7 1 1 A 22 22 ALA CB C 4 18.824 18.155 0.669 1
1 21 . 7 1 1 A 23 23 ALA HA H 5 4.177 4.050 0.127 1
1 25 . 7 1 1 A 23 23 ALA C C 5 178.940 179.569 -0.629 1
1 26 . 7 1 1 A 23 23 ALA CA C 5 53.798 54.950 -1.152 1
1 27 . 7 1 1 A 23 23 ALA CB C 5 18.753 18.344 0.409 1
1 28 . 7 1 1 A 24 24 ALA H H 6 7.783 7.802 -0.019 1
1 29 . 7 1 1 A 24 24 ALA HA H 6 4.007 4.170 -0.163 1
1 33 . 7 1 1 A 24 24 ALA C C 6 178.203 179.038 -0.835 1
1 34 . 7 1 1 A 24 24 ALA CA C 6 54.590 55.571 -0.981 1
1 35 . 7 1 1 A 24 24 ALA CB C 6 18.494 18.336 0.158 1
1 36 . 7 1 1 A 24 24 ALA N N 6 121.484 120.786 0.698 1
1 37 . 7 1 1 A 25 25 LYS H H 7 7.921 7.952 -0.031 1
1 38 . 7 1 1 A 25 25 LYS HA H 7 3.723 4.039 -0.316 1
1 47 . 7 1 1 A 25 25 LYS C C 7 178.121 178.924 -0.803 1
1 48 . 7 1 1 A 25 25 LYS CA C 7 59.475 59.688 -0.213 1
1 49 . 7 1 1 A 25 25 LYS CB C 7 32.382 32.005 0.377 1
1 53 . 7 1 1 A 25 25 LYS N N 7 117.083 118.687 -1.604 1
1 54 . 7 1 1 A 26 26 HIS H H 8 7.810 7.451 0.359 1
1 55 . 7 1 1 A 26 26 HIS HA H 8 4.327 4.391 -0.064 1
1 58 . 7 1 1 A 26 26 HIS C C 8 175.774 178.001 -2.227 1
1 59 . 7 1 1 A 26 26 HIS CA C 8 58.657 60.132 -1.475 1
1 60 . 7 1 1 A 26 26 HIS CB C 8 30.271 30.683 -0.412 1
1 61 . 7 1 1 A 26 26 HIS N N 8 117.117 117.980 -0.863 1
1 62 . 7 1 1 A 27 27 LEU H H 9 7.710 8.239 -0.529 1
1 63 . 7 1 1 A 27 27 LEU HA H 9 3.921 3.873 0.048 1
1 72 . 7 1 1 A 27 27 LEU C C 9 178.585 179.299 -0.714 1
1 73 . 7 1 1 A 27 27 LEU CA C 9 58.002 58.223 -0.221 1
1 74 . 7 1 1 A 27 27 LEU CB C 9 42.288 41.995 0.293 1
1 77 . 7 1 1 A 27 27 LEU N N 9 120.717 120.173 0.544 1
1 78 . 7 1 1 A 28 28 ILE H H 10 8.559 8.023 0.536 1
1 79 . 7 1 1 A 28 28 ILE HA H 10 3.656 3.751 -0.095 1
1 89 . 7 1 1 A 28 28 ILE C C 10 178.148 178.167 -0.019 1
1 90 . 7 1 1 A 28 28 ILE CA C 10 66.845 65.288 1.557 1
1 91 . 7 1 1 A 28 28 ILE CB C 10 37.913 37.570 0.343 1
1 95 . 7 1 1 A 28 28 ILE N N 10 120.086 120.076 0.010 1
1 96 . 7 1 1 A 29 29 GLU H H 11 7.849 8.116 -0.267 1
1 97 . 7 1 1 A 29 29 GLU HA H 11 4.013 4.155 -0.142 1
1 102 . 7 1 1 A 29 29 GLU C C 11 179.376 179.413 -0.037 1
1 103 . 7 1 1 A 29 29 GLU CA C 11 59.584 59.405 0.179 1
1 104 . 7 1 1 A 29 29 GLU CB C 11 29.070 29.087 -0.017 1
1 106 . 7 1 1 A 29 29 GLU N N 11 118.346 119.901 -1.555 1
1 107 . 7 1 1 A 30 30 ARG H H 12 7.839 7.649 0.190 1
1 108 . 7 1 1 A 30 30 ARG HA H 12 4.064 4.049 0.015 1
1 115 . 7 1 1 A 30 30 ARG C C 12 180.318 178.767 1.551 1
1 116 . 7 1 1 A 30 30 ARG CA C 12 59.585 59.656 -0.071 1
1 117 . 7 1 1 A 30 30 ARG CB C 12 29.234 29.993 -0.759 1
1 120 . 7 1 1 A 30 30 ARG N N 12 120.904 120.690 0.214 1
1 121 . 7 1 1 A 31 31 TYR H H 13 8.545 8.181 0.364 1
1 122 . 7 1 1 A 31 31 TYR HA H 13 4.064 4.329 -0.265 1
1 129 . 7 1 1 A 31 31 TYR C C 13 177.725 178.914 -1.189 1
1 130 . 7 1 1 A 31 31 TYR CA C 13 63.351 59.908 3.443 1
1 131 . 7 1 1 A 31 31 TYR CB C 13 38.623 37.912 0.711 1
1 134 . 7 1 1 A 31 31 TYR N N 13 120.393 119.800 0.593 1
1 135 . 7 1 1 A 32 32 TYR H H 14 8.783 8.433 0.350 1
1 136 . 7 1 1 A 32 32 TYR HA H 14 3.948 4.176 -0.228 1
1 143 . 7 1 1 A 32 32 TYR C C 14 178.599 177.330 1.269 1
1 144 . 7 1 1 A 32 32 TYR CA C 14 62.669 62.277 0.392 1
1 145 . 7 1 1 A 32 32 TYR CB C 14 38.350 38.624 -0.274 1
1 148 . 7 1 1 A 32 32 TYR N N 14 120.342 120.178 0.164 1
1 149 . 7 1 1 A 33 33 HIS H H 15 8.740 8.230 0.510 1
1 150 . 7 1 1 A 33 33 HIS HA H 15 3.906 4.217 -0.311 1
1 153 . 7 1 1 A 33 33 HIS C C 15 177.834 177.073 0.761 1
1 154 . 7 1 1 A 33 33 HIS CA C 15 60.622 60.183 0.439 1
1 155 . 7 1 1 A 33 33 HIS CB C 15 30.599 29.429 1.170 1
1 156 . 7 1 1 A 33 33 HIS N N 15 121.297 119.572 1.725 1
1 157 . 7 1 1 A 34 34 GLN H H 16 8.371 7.816 0.555 1
1 158 . 7 1 1 A 34 34 GLN HA H 16 3.709 3.890 -0.181 1
1 165 . 7 1 1 A 34 34 GLN C C 16 176.238 177.493 -1.255 1
1 166 . 7 1 1 A 34 34 GLN CA C 16 60.185 58.461 1.724 1
1 167 . 7 1 1 A 34 34 GLN CB C 16 30.653 28.621 2.032 1
1 169 . 7 1 1 A 34 34 GLN N N 16 122.576 118.167 4.409 1
1 171 . 7 1 1 A 35 35 LEU H H 17 7.916 7.418 0.498 1
1 172 . 7 1 1 A 35 35 LEU HA H 17 3.978 4.042 -0.064 1
1 182 . 7 1 1 A 35 35 LEU C C 17 175.624 178.948 -3.324 1
1 183 . 7 1 1 A 35 35 LEU CA C 17 56.377 56.912 -0.535 1
1 184 . 7 1 1 A 35 35 LEU CB C 17 45.098 42.122 2.976 1
1 188 . 7 1 1 A 35 35 LEU N N 17 116.299 118.269 -1.970 1
1 189 . 7 1 1 A 36 36 THR H H 18 7.148 7.673 -0.525 1
1 190 . 7 1 1 A 36 36 THR HA H 18 4.215 3.932 0.283 1
1 195 . 7 1 1 A 36 36 THR C C 18 174.709 175.729 -1.020 1
1 196 . 7 1 1 A 36 36 THR CA C 18 61.522 65.326 -3.804 1
1 197 . 7 1 1 A 36 36 THR CB C 18 70.434 68.296 2.138 1
1 199 . 7 1 1 A 36 36 THR N N 18 105.023 110.169 -5.146 1
1 200 . 7 1 1 A 37 37 GLU H H 19 8.234 7.884 0.350 1
1 201 . 7 1 1 A 37 37 GLU HA H 19 4.187 4.324 -0.137 1
1 206 . 7 1 1 A 37 37 GLU C C 19 177.657 177.025 0.632 1
1 207 . 7 1 1 A 37 37 GLU CA C 19 56.855 56.945 -0.090 1
1 208 . 7 1 1 A 37 37 GLU CB C 19 30.872 31.509 -0.637 1
1 210 . 7 1 1 A 37 37 GLU N N 19 122.559 118.560 3.999 1
1 211 . 7 1 1 A 38 38 GLY H H 20 7.485 7.373 0.112 1
1 212 . 7 1 1 A 38 38 GLY HA2 H 20 4.586 3.840 0.746 1
1 213 . 7 1 1 A 38 38 GLY HA3 H 20 4.358 3.883 0.475 1
1 214 . 7 1 1 A 38 38 GLY C C 20 172.976 174.044 -1.068 1
1 215 . 7 1 1 A 38 38 GLY CA C 20 44.177 44.634 -0.457 1
1 216 . 7 1 1 A 38 38 GLY N N 20 107.019 105.699 1.320 1
1 217 . 7 1 1 A 39 39 CYS H H 21 7.410 8.072 -0.662 1
1 218 . 7 1 1 A 39 39 CYS HA H 21 4.498 4.607 -0.109 1
1 221 . 7 1 1 A 39 39 CYS C C 21 176.865 175.935 0.930 1
1 222 . 7 1 1 A 39 39 CYS CA C 21 58.493 58.369 0.124 1
1 223 . 7 1 1 A 39 39 CYS CB C 21 31.636 29.253 2.383 1
1 224 . 7 1 1 A 39 39 CYS N N 21 118.260 123.047 -4.787 1
1 225 . 7 1 1 A 40 40 GLY H H 22 8.670 8.176 0.494 1
1 226 . 7 1 1 A 40 40 GLY HA2 H 22 4.260 3.944 0.316 1
1 227 . 7 1 1 A 40 40 GLY HA3 H 22 3.505 3.956 -0.451 1
1 228 . 7 1 1 A 40 40 GLY C C 22 173.618 174.288 -0.670 1
1 229 . 7 1 1 A 40 40 GLY CA C 22 45.188 45.280 -0.092 1
1 230 . 7 1 1 A 40 40 GLY N N 22 112.324 110.539 1.785 1
1 231 . 7 1 1 A 41 41 ASN H H 23 8.379 7.859 0.520 1
1 232 . 7 1 1 A 41 41 ASN HA H 23 4.452 4.627 -0.175 1
1 237 . 7 1 1 A 41 41 ASN C C 23 175.132 176.380 -1.248 1
1 238 . 7 1 1 A 41 41 ASN CA C 23 52.106 53.765 -1.659 1
1 239 . 7 1 1 A 41 41 ASN CB C 23 38.678 38.924 -0.246 1
1 240 . 7 1 1 A 41 41 ASN N N 23 122.184 120.193 1.991 1
1 242 . 7 1 1 A 42 42 GLU H H 24 8.769 8.695 0.074 1
1 243 . 7 1 1 A 42 42 GLU HA H 24 4.167 4.445 -0.278 1
1 248 . 7 1 1 A 42 42 GLU C C 24 175.801 177.035 -1.234 1
1 249 . 7 1 1 A 42 42 GLU CA C 24 57.947 59.038 -1.091 1
1 250 . 7 1 1 A 42 42 GLU CB C 24 29.016 28.983 0.033 1
1 252 . 7 1 1 A 42 42 GLU N N 24 124.589 126.207 -1.618 1
1 253 . 7 1 1 A 43 43 ALA H H 25 7.839 7.560 0.279 1
1 254 . 7 1 1 A 43 43 ALA HA H 25 4.381 4.369 0.012 1
1 258 . 7 1 1 A 43 43 ALA C C 25 175.842 176.247 -0.405 1
1 259 . 7 1 1 A 43 43 ALA CA C 25 50.319 51.668 -1.349 1
1 260 . 7 1 1 A 43 43 ALA CB C 25 18.563 17.403 1.160 1
1 261 . 7 1 1 A 43 43 ALA N N 25 121.706 120.733 0.973 1
1 262 . 7 1 1 A 44 44 CYS H H 26 7.350 7.987 -0.637 1
1 263 . 7 1 1 A 44 44 CYS HA H 26 3.757 5.065 -1.308 1
1 266 . 7 1 1 A 44 44 CYS C C 26 176.019 175.109 0.910 1
1 267 . 7 1 1 A 44 44 CYS CA C 26 62.696 57.048 5.648 1
1 268 . 7 1 1 A 44 44 CYS CB C 26 29.671 30.343 -0.672 1
1 269 . 7 1 1 A 44 44 CYS N N 26 124.265 120.779 3.486 1
1 270 . 7 1 1 A 45 45 THR H H 27 7.872 8.638 -0.766 1
1 271 . 7 1 1 A 45 45 THR HA H 27 4.511 4.425 0.086 1
1 276 . 7 1 1 A 45 45 THR C C 27 174.969 173.348 1.621 1
1 277 . 7 1 1 A 45 45 THR CA C 27 61.113 61.098 0.015 1
1 278 . 7 1 1 A 45 45 THR CB C 27 69.834 68.173 1.661 1
1 280 . 7 1 1 A 45 45 THR N N 27 115.292 117.842 -2.550 1
1 281 . 7 1 1 A 46 46 ASN H H 28 9.336 7.631 1.705 1
1 282 . 7 1 1 A 46 46 ASN HA H 28 4.430 4.974 -0.544 1
1 287 . 7 1 1 A 46 46 ASN C C 28 174.273 175.213 -0.940 1
1 288 . 7 1 1 A 46 46 ASN CA C 28 53.144 52.487 0.657 1
1 289 . 7 1 1 A 46 46 ASN CB C 28 38.500 40.307 -1.807 1
1 290 . 7 1 1 A 46 46 ASN N N 28 127.779 121.494 6.285 1
1 292 . 7 1 1 A 47 47 GLU H H 29 8.499 8.960 -0.461 1
1 293 . 7 1 1 A 47 47 GLU HA H 29 4.006 4.177 -0.171 1
1 298 . 7 1 1 A 47 47 GLU C C 29 175.815 177.003 -1.188 1
1 299 . 7 1 1 A 47 47 GLU CA C 29 58.111 58.712 -0.601 1
1 300 . 7 1 1 A 47 47 GLU CB C 29 29.070 28.750 0.320 1
1 302 . 7 1 1 A 47 47 GLU N N 29 123.804 125.400 -1.596 1
1 303 . 7 1 1 A 48 48 PHE H H 30 7.423 7.290 0.133 1
1 304 . 7 1 1 A 48 48 PHE HA H 30 4.860 4.727 0.133 1
1 311 . 7 1 1 A 48 48 PHE C C 30 171.980 174.842 -2.862 1
1 312 . 7 1 1 A 48 48 PHE CA C 30 56.336 57.479 -1.143 1
1 313 . 7 1 1 A 48 48 PHE CB C 30 38.132 38.146 -0.014 1
1 316 . 7 1 1 A 48 48 PHE N N 30 117.186 118.059 -0.873 1
1 317 . 7 1 1 A 49 49 CYS H H 31 7.420 7.863 -0.443 1
1 318 . 7 1 1 A 49 49 CYS HA H 31 4.264 4.847 -0.583 1
1 321 . 7 1 1 A 49 49 CYS C C 31 174.436 173.089 1.347 1
1 322 . 7 1 1 A 49 49 CYS CA C 31 57.047 57.800 -0.753 1
1 323 . 7 1 1 A 49 49 CYS CB C 31 33.492 31.273 2.219 1
1 324 . 7 1 1 A 49 49 CYS N N 31 121.843 118.801 3.042 1
1 325 . 7 1 1 A 50 50 ALA H H 32 7.949 8.329 -0.380 1
1 326 . 7 1 1 A 50 50 ALA HA H 32 2.992 3.385 -0.393 1
1 330 . 7 1 1 A 50 50 ALA C C 32 178.762 177.650 1.112 1
1 331 . 7 1 1 A 50 50 ALA CA C 32 53.007 51.015 1.992 1
1 332 . 7 1 1 A 50 50 ALA CB C 32 17.007 19.422 -2.415 1
1 333 . 7 1 1 A 50 50 ALA N N 32 128.103 127.131 0.972 1
1 334 . 7 1 1 A 51 51 SER H H 33 9.507 8.505 1.002 1
1 335 . 7 1 1 A 51 51 SER HA H 33 4.299 4.040 0.259 1
1 338 . 7 1 1 A 51 51 SER C C 33 173.399 173.778 -0.379 1
1 339 . 7 1 1 A 51 51 SER CA C 33 60.840 60.504 0.336 1
1 340 . 7 1 1 A 51 51 SER CB C 33 63.679 61.729 1.950 1
1 341 . 7 1 1 A 51 51 SER N N 33 119.062 111.180 7.882 1
1 342 . 7 1 1 A 52 52 CYS H H 34 7.978 7.698 0.280 1
1 343 . 7 1 1 A 52 52 CYS HA H 34 4.652 4.720 -0.068 1
1 346 . 7 1 1 A 52 52 CYS CA C 34 55.835 57.763 -1.928 1
1 347 . 7 1 1 A 52 52 CYS CB C 34 27.879 28.017 -0.138 1
1 348 . 7 1 1 A 52 52 CYS N N 34 124.589 120.193 4.396 1
1 349 . 7 1 1 A 53 53 PRO HA H 35 4.393 4.290 0.103 1
1 356 . 7 1 1 A 53 53 PRO C C 35 177.889 177.164 0.725 1
1 357 . 7 1 1 A 53 53 PRO CA C 35 65.180 64.984 0.196 1
1 358 . 7 1 1 A 53 53 PRO CB C 35 32.850 31.849 1.001 1
1 361 . 7 1 1 A 54 54 THR H H 36 7.507 7.661 -0.154 1
1 362 . 7 1 1 A 54 54 THR HA H 36 4.314 4.383 -0.069 1
1 367 . 7 1 1 A 54 54 THR C C 36 174.177 174.208 -0.031 1
1 368 . 7 1 1 A 54 54 THR CA C 36 61.195 62.042 -0.847 1
1 369 . 7 1 1 A 54 54 THR CB C 36 68.101 69.283 -1.182 1
1 371 . 7 1 1 A 54 54 THR N N 36 107.002 107.886 -0.884 1
1 372 . 7 1 1 A 55 55 PHE H H 37 7.716 7.704 0.012 1
1 373 . 7 1 1 A 55 55 PHE HA H 37 4.204 5.075 -0.871 1
1 380 . 7 1 1 A 55 55 PHE C C 37 175.228 174.007 1.221 1
1 381 . 7 1 1 A 55 55 PHE CA C 37 58.875 56.083 2.792 1
1 382 . 7 1 1 A 55 55 PHE CB C 37 40.942 42.282 -1.340 1
1 385 . 7 1 1 A 55 55 PHE N N 37 124.794 122.810 1.984 1
1 386 . 7 1 1 A 56 56 LEU H H 38 7.490 8.490 -1.000 1
1 387 . 7 1 1 A 56 56 LEU HA H 38 4.310 4.855 -0.545 1
1 397 . 7 1 1 A 56 56 LEU C C 38 174.300 176.198 -1.898 1
1 398 . 7 1 1 A 56 56 LEU CA C 38 53.416 52.762 0.654 1
1 399 . 7 1 1 A 56 56 LEU CB C 38 41.386 44.298 -2.912 1
1 403 . 7 1 1 A 56 56 LEU N N 38 130.713 127.264 3.449 1
1 404 . 7 1 1 A 57 57 ARG H H 39 7.930 8.171 -0.241 1
1 405 . 7 1 1 A 57 57 ARG HA H 39 3.994 4.308 -0.314 1
1 412 . 7 1 1 A 57 57 ARG CA C 39 57.374 56.088 1.286 1
1 413 . 7 1 1 A 57 57 ARG CB C 39 30.517 30.584 -0.067 1
1 416 . 7 1 1 A 57 57 ARG N N 39 122.866 122.719 0.147 1
1 417 . 7 1 1 A 58 58 MET H H 40 8.408 8.435 -0.027 1
1 418 . 7 1 1 A 58 58 MET HA H 40 4.706 5.326 -0.620 1
1 423 . 7 1 1 A 58 58 MET C C 40 175.160 175.684 -0.524 1
1 424 . 7 1 1 A 58 58 MET CA C 40 53.908 52.963 0.945 1
1 425 . 7 1 1 A 58 58 MET CB C 40 36.603 36.028 0.575 1
1 427 . 7 1 1 A 58 58 MET N N 40 121.024 120.901 0.123 1
1 428 . 7 1 1 A 59 59 ASP H H 41 8.419 8.678 -0.259 1
1 429 . 7 1 1 A 59 59 ASP HA H 41 4.588 4.722 -0.134 1
1 432 . 7 1 1 A 59 59 ASP CA C 41 53.699 54.282 -0.583 1
1 433 . 7 1 1 A 59 59 ASP CB C 41 41.540 41.992 -0.452 1
1 434 . 7 1 1 A 59 59 ASP N N 41 120.478 120.637 -0.159 1
1 435 . 7 1 1 A 60 60 ASN HA H 42 4.317 4.491 -0.174 1
1 440 . 7 1 1 A 60 60 ASN C C 42 177.739 177.783 -0.044 1
1 441 . 7 1 1 A 60 60 ASN CA C 42 56.637 56.009 0.628 1
1 442 . 7 1 1 A 60 60 ASN CB C 42 37.586 38.245 -0.659 1
1 444 . 7 1 1 A 61 61 ASN H H 43 8.442 8.089 0.353 1
1 445 . 7 1 1 A 61 61 ASN HA H 43 4.450 4.588 -0.138 1
1 448 . 7 1 1 A 61 61 ASN C C 43 177.439 177.528 -0.089 1
1 449 . 7 1 1 A 61 61 ASN CA C 43 56.528 56.455 0.073 1
1 450 . 7 1 1 A 61 61 ASN CB C 43 38.023 38.223 -0.200 1
1 451 . 7 1 1 A 61 61 ASN N N 43 118.960 118.849 0.111 1
1 452 . 7 1 1 A 62 62 ALA H H 44 8.229 8.032 0.197 1
1 453 . 7 1 1 A 62 62 ALA HA H 44 4.102 4.173 -0.071 1
1 457 . 7 1 1 A 62 62 ALA C C 44 180.973 180.450 0.523 1
1 458 . 7 1 1 A 62 62 ALA CA C 44 54.672 54.858 -0.186 1
1 459 . 7 1 1 A 62 62 ALA CB C 44 18.466 18.350 0.116 1
1 460 . 7 1 1 A 62 62 ALA N N 44 123.651 122.784 0.867 1
1 461 . 7 1 1 A 63 63 ALA H H 45 8.779 8.008 0.771 1
1 462 . 7 1 1 A 63 63 ALA HA H 45 4.238 4.273 -0.035 1
1 466 . 7 1 1 A 63 63 ALA C C 45 178.680 179.822 -1.142 1
1 467 . 7 1 1 A 63 63 ALA CA C 45 54.945 55.078 -0.133 1
1 468 . 7 1 1 A 63 63 ALA CB C 45 18.685 18.304 0.381 1
1 469 . 7 1 1 A 63 63 ALA N N 45 121.928 120.035 1.893 1
1 470 . 7 1 1 A 64 64 ALA H H 46 8.024 7.965 0.059 1
1 471 . 7 1 1 A 64 64 ALA HA H 46 4.109 4.290 -0.181 1
1 475 . 7 1 1 A 64 64 ALA C C 46 179.731 179.599 0.132 1
1 476 . 7 1 1 A 64 64 ALA CA C 46 55.873 55.252 0.621 1
1 477 . 7 1 1 A 64 64 ALA CB C 46 17.853 18.439 -0.586 1
1 478 . 7 1 1 A 64 64 ALA N N 46 121.126 120.327 0.799 1
1 479 . 7 1 1 A 65 65 ILE H H 47 7.220 7.920 -0.700 1
1 480 . 7 1 1 A 65 65 ILE HA H 47 3.740 3.637 0.103 1
1 490 . 7 1 1 A 65 65 ILE C C 47 179.049 178.169 0.880 1
1 491 . 7 1 1 A 65 65 ILE CA C 47 64.061 65.616 -1.555 1
1 492 . 7 1 1 A 65 65 ILE CB C 47 38.528 37.854 0.674 1
1 496 . 7 1 1 A 65 65 ILE N N 47 117.953 118.346 -0.393 1
1 497 . 7 1 1 A 66 66 LYS H H 48 8.363 8.044 0.319 1
1 498 . 7 1 1 A 66 66 LYS HA H 48 4.062 4.054 0.008 1
1 507 . 7 1 1 A 66 66 LYS C C 48 177.739 178.813 -1.074 1
1 508 . 7 1 1 A 66 66 LYS CA C 48 57.074 58.755 -1.681 1
1 509 . 7 1 1 A 66 66 LYS CB C 48 31.472 32.243 -0.771 1
1 513 . 7 1 1 A 66 66 LYS N N 48 121.894 121.022 0.872 1
1 514 . 7 1 1 A 67 67 ALA H H 49 8.730 8.219 0.511 1
1 515 . 7 1 1 A 67 67 ALA HA H 49 3.682 4.226 -0.544 1
1 519 . 7 1 1 A 67 67 ALA C C 49 178.339 180.409 -2.070 1
1 520 . 7 1 1 A 67 67 ALA CA C 49 56.037 55.228 0.809 1
1 521 . 7 1 1 A 67 67 ALA CB C 49 18.126 18.241 -0.115 1
1 522 . 7 1 1 A 67 67 ALA N N 49 121.723 122.620 -0.897 1
1 523 . 7 1 1 A 68 68 LEU H H 50 6.888 7.980 -1.092 1
1 524 . 7 1 1 A 68 68 LEU HA H 50 4.020 4.141 -0.121 1
1 534 . 7 1 1 A 68 68 LEU C C 50 178.776 179.188 -0.412 1
1 535 . 7 1 1 A 68 68 LEU CA C 50 57.892 57.408 0.484 1
1 536 . 7 1 1 A 68 68 LEU CB C 50 41.832 41.461 0.371 1
1 540 . 7 1 1 A 68 68 LEU N N 50 115.156 119.311 -4.155 1
1 541 . 7 1 1 A 69 69 GLU H H 51 7.216 8.199 -0.983 1
1 542 . 7 1 1 A 69 69 GLU HA H 51 3.836 3.987 -0.151 1
1 547 . 7 1 1 A 69 69 GLU C C 51 178.721 178.932 -0.211 1
1 548 . 7 1 1 A 69 69 GLU CA C 51 59.257 59.369 -0.112 1
1 549 . 7 1 1 A 69 69 GLU CB C 51 29.343 29.082 0.261 1
1 551 . 7 1 1 A 69 69 GLU N N 51 119.727 120.158 -0.431 1
1 552 . 7 1 1 A 70 70 LEU H H 52 8.326 7.859 0.467 1
1 553 . 7 1 1 A 70 70 LEU HA H 52 3.501 3.743 -0.242 1
1 563 . 7 1 1 A 70 70 LEU C C 52 178.421 178.202 0.219 1
1 564 . 7 1 1 A 70 70 LEU CA C 52 56.814 56.812 0.002 1
1 565 . 7 1 1 A 70 70 LEU CB C 52 39.497 40.919 -1.422 1
1 569 . 7 1 1 A 70 70 LEU N N 52 117.442 119.372 -1.930 1
1 570 . 7 1 1 A 71 71 TYR H H 53 7.440 7.893 -0.453 1
1 571 . 7 1 1 A 71 71 TYR HA H 53 4.010 3.849 0.161 1
1 578 . 7 1 1 A 71 71 TYR C C 53 177.602 177.903 -0.301 1
1 579 . 7 1 1 A 71 71 TYR CA C 53 60.751 61.510 -0.759 1
1 580 . 7 1 1 A 71 71 TYR CB C 53 38.221 38.825 -0.604 1
1 583 . 7 1 1 A 71 71 TYR N N 53 118.670 120.423 -1.753 1
1 584 . 7 1 1 A 72 72 LYS H H 54 7.720 7.876 -0.156 1
1 585 . 7 1 1 A 72 72 LYS HA H 54 3.543 3.848 -0.305 1
1 594 . 7 1 1 A 72 72 LYS C C 54 178.216 177.935 0.281 1
1 595 . 7 1 1 A 72 72 LYS CA C 54 59.475 58.964 0.511 1
1 596 . 7 1 1 A 72 72 LYS CB C 54 32.400 32.117 0.283 1
1 600 . 7 1 1 A 72 72 LYS N N 54 120.512 118.031 2.481 1
1 601 . 7 1 1 A 73 73 ILE H H 55 7.265 7.304 -0.039 1
1 602 . 7 1 1 A 73 73 ILE HA H 55 4.327 4.041 0.286 1
1 610 . 7 1 1 A 73 73 ILE CA C 55 60.625 60.961 -0.336 1
1 611 . 7 1 1 A 73 73 ILE CB C 55 38.244 38.235 0.009 1
1 614 . 7 1 1 A 73 73 ILE N N 55 109.032 115.263 -6.231 1
1 615 . 7 1 1 A 74 74 ASN HA H 56 4.225 4.376 -0.151 1
1 620 . 7 1 1 A 74 74 ASN C C 56 174.532 174.615 -0.083 1
1 621 . 7 1 1 A 74 74 ASN CA C 56 53.853 54.314 -0.461 1
1 622 . 7 1 1 A 74 74 ASN CB C 56 37.027 36.635 0.392 1
1 624 . 7 1 1 A 75 75 ALA H H 57 7.653 7.426 0.227 1
1 625 . 7 1 1 A 75 75 ALA HA H 57 4.126 4.341 -0.215 1
1 629 . 7 1 1 A 75 75 ALA C C 57 177.848 177.384 0.464 1
1 630 . 7 1 1 A 75 75 ALA CA C 57 51.969 51.805 0.164 1
1 631 . 7 1 1 A 75 75 ALA CB C 57 20.500 20.172 0.328 1
1 632 . 7 1 1 A 75 75 ALA N N 57 119.216 118.907 0.309 1
1 633 . 7 1 1 A 76 76 LYS H H 58 8.612 8.646 -0.034 1
1 634 . 7 1 1 A 76 76 LYS HA H 58 3.999 4.368 -0.369 1
1 643 . 7 1 1 A 76 76 LYS C C 58 176.142 175.991 0.151 1
1 644 . 7 1 1 A 76 76 LYS CA C 58 58.220 56.331 1.889 1
1 645 . 7 1 1 A 76 76 LYS CB C 58 32.673 32.060 0.613 1
1 649 . 7 1 1 A 76 76 LYS N N 58 122.696 119.665 3.031 1
1 650 . 7 1 1 A 77 77 LEU H H 59 8.427 8.848 -0.421 1
1 651 . 7 1 1 A 77 77 LEU HA H 59 4.954 4.940 0.014 1
1 661 . 7 1 1 A 77 77 LEU C C 59 177.712 177.148 0.564 1
1 662 . 7 1 1 A 77 77 LEU CA C 59 52.843 54.191 -1.348 1
1 663 . 7 1 1 A 77 77 LEU CB C 59 43.611 43.249 0.362 1
1 667 . 7 1 1 A 77 77 LEU N N 59 129.775 126.712 3.063 1
1 668 . 7 1 1 A 78 78 CYS H H 60 8.573 8.742 -0.169 1
1 669 . 7 1 1 A 78 78 CYS HA H 60 3.938 4.631 -0.693 1
1 672 . 7 1 1 A 78 78 CYS C C 60 176.265 174.331 1.934 1
1 673 . 7 1 1 A 78 78 CYS CA C 60 61.768 58.028 3.740 1
1 674 . 7 1 1 A 78 78 CYS CB C 60 31.103 27.235 3.868 1
1 675 . 7 1 1 A 78 78 CYS N N 60 126.244 124.260 1.984 1
1 676 . 7 1 1 A 79 79 ASP H H 61 8.570 7.548 1.022 1
1 677 . 7 1 1 A 79 79 ASP HA H 61 4.765 4.648 0.117 1
1 680 . 7 1 1 A 79 79 ASP CA C 61 52.464 52.635 -0.171 1
1 681 . 7 1 1 A 79 79 ASP CB C 61 40.598 40.518 0.080 1
1 682 . 7 1 1 A 79 79 ASP N N 61 123.037 122.272 0.765 1
1 683 . 7 1 1 A 80 80 PRO HA H 62 4.351 4.320 0.031 1
1 690 . 7 1 1 A 80 80 PRO C C 62 175.296 175.698 -0.402 1
1 691 . 7 1 1 A 80 80 PRO CA C 62 63.419 63.222 0.197 1
1 692 . 7 1 1 A 80 80 PRO CB C 62 31.963 31.995 -0.032 1
1 695 . 7 1 1 A 81 81 HIS H H 63 8.283 8.254 0.029 1
1 696 . 7 1 1 A 81 81 HIS HA H 63 4.737 4.940 -0.203 1
1 697 . 7 1 1 A 81 81 HIS CA C 63 54.272 54.325 -0.053 1
1 698 . 7 1 1 A 81 81 HIS N N 63 122.934 120.721 2.213 1
1 1 . 8 1 1 A 20 20 LYS HA H 2 4.205 4.445 -0.240 1
1 8 . 8 1 1 A 20 20 LYS C C 2 176.538 176.538 0.000 1
1 9 . 8 1 1 A 20 20 LYS CA C 2 56.364 55.657 0.707 1
1 10 . 8 1 1 A 20 20 LYS CB C 2 30.708 33.102 -2.394 1
1 13 . 8 1 1 A 21 21 ARG H H 3 8.541 8.757 -0.216 1
1 14 . 8 1 1 A 21 21 ARG N N 3 120.785 126.866 -6.081 1
1 15 . 8 1 1 A 22 22 ALA HA H 4 4.082 4.130 -0.048 1
1 19 . 8 1 1 A 22 22 ALA CA C 4 54.047 54.922 -0.875 1
1 20 . 8 1 1 A 22 22 ALA CB C 4 18.824 18.371 0.453 1
1 21 . 8 1 1 A 23 23 ALA HA H 5 4.177 4.313 -0.136 1
1 25 . 8 1 1 A 23 23 ALA C C 5 178.940 179.292 -0.352 1
1 26 . 8 1 1 A 23 23 ALA CA C 5 53.798 54.862 -1.064 1
1 27 . 8 1 1 A 23 23 ALA CB C 5 18.753 18.429 0.324 1
1 28 . 8 1 1 A 24 24 ALA H H 6 7.783 7.890 -0.107 1
1 29 . 8 1 1 A 24 24 ALA HA H 6 4.007 4.168 -0.161 1
1 33 . 8 1 1 A 24 24 ALA C C 6 178.203 179.418 -1.215 1
1 34 . 8 1 1 A 24 24 ALA CA C 6 54.590 55.205 -0.615 1
1 35 . 8 1 1 A 24 24 ALA CB C 6 18.494 18.125 0.369 1
1 36 . 8 1 1 A 24 24 ALA N N 6 121.484 120.983 0.501 1
1 37 . 8 1 1 A 25 25 LYS H H 7 7.921 7.820 0.101 1
1 38 . 8 1 1 A 25 25 LYS HA H 7 3.723 3.958 -0.235 1
1 47 . 8 1 1 A 25 25 LYS C C 7 178.121 179.121 -1.000 1
1 48 . 8 1 1 A 25 25 LYS CA C 7 59.475 59.051 0.424 1
1 49 . 8 1 1 A 25 25 LYS CB C 7 32.382 32.032 0.350 1
1 53 . 8 1 1 A 25 25 LYS N N 7 117.083 119.019 -1.936 1
1 54 . 8 1 1 A 26 26 HIS H H 8 7.810 7.770 0.040 1
1 55 . 8 1 1 A 26 26 HIS HA H 8 4.327 4.400 -0.073 1
1 58 . 8 1 1 A 26 26 HIS C C 8 175.774 178.063 -2.289 1
1 59 . 8 1 1 A 26 26 HIS CA C 8 58.657 60.025 -1.368 1
1 60 . 8 1 1 A 26 26 HIS CB C 8 30.271 30.632 -0.361 1
1 61 . 8 1 1 A 26 26 HIS N N 8 117.117 118.273 -1.156 1
1 62 . 8 1 1 A 27 27 LEU H H 9 7.710 8.170 -0.460 1
1 63 . 8 1 1 A 27 27 LEU HA H 9 3.921 3.996 -0.075 1
1 72 . 8 1 1 A 27 27 LEU C C 9 178.585 178.939 -0.354 1
1 73 . 8 1 1 A 27 27 LEU CA C 9 58.002 58.065 -0.063 1
1 74 . 8 1 1 A 27 27 LEU CB C 9 42.288 41.984 0.304 1
1 77 . 8 1 1 A 27 27 LEU N N 9 120.717 119.306 1.411 1
1 78 . 8 1 1 A 28 28 ILE H H 10 8.559 8.023 0.536 1
1 79 . 8 1 1 A 28 28 ILE HA H 10 3.656 3.675 -0.019 1
1 89 . 8 1 1 A 28 28 ILE C C 10 178.148 178.280 -0.132 1
1 90 . 8 1 1 A 28 28 ILE CA C 10 66.845 64.874 1.971 1
1 91 . 8 1 1 A 28 28 ILE CB C 10 37.913 37.234 0.679 1
1 95 . 8 1 1 A 28 28 ILE N N 10 120.086 119.901 0.185 1
1 96 . 8 1 1 A 29 29 GLU H H 11 7.849 8.365 -0.516 1
1 97 . 8 1 1 A 29 29 GLU HA H 11 4.013 4.024 -0.011 1
1 102 . 8 1 1 A 29 29 GLU C C 11 179.376 179.557 -0.181 1
1 103 . 8 1 1 A 29 29 GLU CA C 11 59.584 59.624 -0.040 1
1 104 . 8 1 1 A 29 29 GLU CB C 11 29.070 28.948 0.122 1
1 106 . 8 1 1 A 29 29 GLU N N 11 118.346 121.807 -3.461 1
1 107 . 8 1 1 A 30 30 ARG H H 12 7.839 7.929 -0.090 1
1 108 . 8 1 1 A 30 30 ARG HA H 12 4.064 4.052 0.012 1
1 115 . 8 1 1 A 30 30 ARG C C 12 180.318 179.066 1.252 1
1 116 . 8 1 1 A 30 30 ARG CA C 12 59.585 59.092 0.493 1
1 117 . 8 1 1 A 30 30 ARG CB C 12 29.234 29.738 -0.504 1
1 120 . 8 1 1 A 30 30 ARG N N 12 120.904 119.049 1.855 1
1 121 . 8 1 1 A 31 31 TYR H H 13 8.545 7.762 0.783 1
1 122 . 8 1 1 A 31 31 TYR HA H 13 4.064 4.418 -0.354 1
1 129 . 8 1 1 A 31 31 TYR C C 13 177.725 178.696 -0.971 1
1 130 . 8 1 1 A 31 31 TYR CA C 13 63.351 60.384 2.967 1
1 131 . 8 1 1 A 31 31 TYR CB C 13 38.623 38.095 0.528 1
1 134 . 8 1 1 A 31 31 TYR N N 13 120.393 119.572 0.821 1
1 135 . 8 1 1 A 32 32 TYR H H 14 8.783 8.699 0.084 1
1 136 . 8 1 1 A 32 32 TYR HA H 14 3.948 4.379 -0.431 1
1 143 . 8 1 1 A 32 32 TYR C C 14 178.599 177.497 1.102 1
1 144 . 8 1 1 A 32 32 TYR CA C 14 62.669 61.265 1.404 1
1 145 . 8 1 1 A 32 32 TYR CB C 14 38.350 37.956 0.394 1
1 148 . 8 1 1 A 32 32 TYR N N 14 120.342 119.430 0.912 1
1 149 . 8 1 1 A 33 33 HIS H H 15 8.740 8.526 0.214 1
1 150 . 8 1 1 A 33 33 HIS HA H 15 3.906 4.332 -0.426 1
1 153 . 8 1 1 A 33 33 HIS C C 15 177.834 176.899 0.935 1
1 154 . 8 1 1 A 33 33 HIS CA C 15 60.622 60.101 0.521 1
1 155 . 8 1 1 A 33 33 HIS CB C 15 30.599 29.357 1.242 1
1 156 . 8 1 1 A 33 33 HIS N N 15 121.297 119.490 1.807 1
1 157 . 8 1 1 A 34 34 GLN H H 16 8.371 8.061 0.310 1
1 158 . 8 1 1 A 34 34 GLN HA H 16 3.709 3.946 -0.237 1
1 165 . 8 1 1 A 34 34 GLN C C 16 176.238 178.071 -1.833 1
1 166 . 8 1 1 A 34 34 GLN CA C 16 60.185 58.673 1.512 1
1 167 . 8 1 1 A 34 34 GLN CB C 16 30.653 28.124 2.529 1
1 169 . 8 1 1 A 34 34 GLN N N 16 122.576 118.242 4.334 1
1 171 . 8 1 1 A 35 35 LEU H H 17 7.916 7.691 0.225 1
1 172 . 8 1 1 A 35 35 LEU HA H 17 3.978 3.959 0.019 1
1 182 . 8 1 1 A 35 35 LEU C C 17 175.624 179.011 -3.387 1
1 183 . 8 1 1 A 35 35 LEU CA C 17 56.377 57.597 -1.220 1
1 184 . 8 1 1 A 35 35 LEU CB C 17 45.098 42.154 2.944 1
1 188 . 8 1 1 A 35 35 LEU N N 17 116.299 119.199 -2.900 1
1 189 . 8 1 1 A 36 36 THR H H 18 7.148 7.733 -0.585 1
1 190 . 8 1 1 A 36 36 THR HA H 18 4.215 3.977 0.238 1
1 195 . 8 1 1 A 36 36 THR C C 18 174.709 176.951 -2.242 1
1 196 . 8 1 1 A 36 36 THR CA C 18 61.522 65.125 -3.603 1
1 197 . 8 1 1 A 36 36 THR CB C 18 70.434 68.182 2.252 1
1 199 . 8 1 1 A 36 36 THR N N 18 105.023 110.194 -5.171 1
1 200 . 8 1 1 A 37 37 GLU H H 19 8.234 8.048 0.186 1
1 201 . 8 1 1 A 37 37 GLU HA H 19 4.187 4.272 -0.085 1
1 206 . 8 1 1 A 37 37 GLU C C 19 177.657 177.344 0.313 1
1 207 . 8 1 1 A 37 37 GLU CA C 19 56.855 56.632 0.223 1
1 208 . 8 1 1 A 37 37 GLU CB C 19 30.872 30.506 0.366 1
1 210 . 8 1 1 A 37 37 GLU N N 19 122.559 120.325 2.234 1
1 211 . 8 1 1 A 38 38 GLY H H 20 7.485 8.143 -0.658 1
1 212 . 8 1 1 A 38 38 GLY HA2 H 20 4.586 3.927 0.659 1
1 213 . 8 1 1 A 38 38 GLY HA3 H 20 4.358 3.927 0.431 1
1 214 . 8 1 1 A 38 38 GLY C C 20 172.976 174.384 -1.408 1
1 215 . 8 1 1 A 38 38 GLY CA C 20 44.177 46.444 -2.267 1
1 216 . 8 1 1 A 38 38 GLY N N 20 107.019 106.833 0.186 1
1 217 . 8 1 1 A 39 39 CYS H H 21 7.410 8.203 -0.793 1
1 218 . 8 1 1 A 39 39 CYS HA H 21 4.498 4.615 -0.117 1
1 221 . 8 1 1 A 39 39 CYS C C 21 176.865 175.650 1.215 1
1 222 . 8 1 1 A 39 39 CYS CA C 21 58.493 58.333 0.160 1
1 223 . 8 1 1 A 39 39 CYS CB C 21 31.636 29.196 2.440 1
1 224 . 8 1 1 A 39 39 CYS N N 21 118.260 123.423 -5.163 1
1 225 . 8 1 1 A 40 40 GLY H H 22 8.670 8.222 0.448 1
1 226 . 8 1 1 A 40 40 GLY HA2 H 22 4.260 3.942 0.318 1
1 227 . 8 1 1 A 40 40 GLY HA3 H 22 3.505 3.944 -0.439 1
1 228 . 8 1 1 A 40 40 GLY C C 22 173.618 174.403 -0.785 1
1 229 . 8 1 1 A 40 40 GLY CA C 22 45.188 45.182 0.006 1
1 230 . 8 1 1 A 40 40 GLY N N 22 112.324 110.702 1.622 1
1 231 . 8 1 1 A 41 41 ASN H H 23 8.379 7.921 0.458 1
1 232 . 8 1 1 A 41 41 ASN HA H 23 4.452 4.691 -0.239 1
1 237 . 8 1 1 A 41 41 ASN C C 23 175.132 175.738 -0.606 1
1 238 . 8 1 1 A 41 41 ASN CA C 23 52.106 53.775 -1.669 1
1 239 . 8 1 1 A 41 41 ASN CB C 23 38.678 38.520 0.158 1
1 240 . 8 1 1 A 41 41 ASN N N 23 122.184 119.433 2.751 1
1 242 . 8 1 1 A 42 42 GLU H H 24 8.769 8.975 -0.206 1
1 243 . 8 1 1 A 42 42 GLU HA H 24 4.167 3.934 0.233 1
1 248 . 8 1 1 A 42 42 GLU C C 24 175.801 177.398 -1.597 1
1 249 . 8 1 1 A 42 42 GLU CA C 24 57.947 60.202 -2.255 1
1 250 . 8 1 1 A 42 42 GLU CB C 24 29.016 29.865 -0.849 1
1 252 . 8 1 1 A 42 42 GLU N N 24 124.589 126.646 -2.057 1
1 253 . 8 1 1 A 43 43 ALA H H 25 7.839 7.655 0.184 1
1 254 . 8 1 1 A 43 43 ALA HA H 25 4.381 4.482 -0.101 1
1 258 . 8 1 1 A 43 43 ALA C C 25 175.842 176.873 -1.031 1
1 259 . 8 1 1 A 43 43 ALA CA C 25 50.319 51.136 -0.817 1
1 260 . 8 1 1 A 43 43 ALA CB C 25 18.563 18.854 -0.291 1
1 261 . 8 1 1 A 43 43 ALA N N 25 121.706 118.914 2.792 1
1 262 . 8 1 1 A 44 44 CYS H H 26 7.350 7.083 0.267 1
1 263 . 8 1 1 A 44 44 CYS HA H 26 3.757 4.467 -0.710 1
1 266 . 8 1 1 A 44 44 CYS C C 26 176.019 174.285 1.734 1
1 267 . 8 1 1 A 44 44 CYS CA C 26 62.696 59.781 2.915 1
1 268 . 8 1 1 A 44 44 CYS CB C 26 29.671 28.240 1.431 1
1 269 . 8 1 1 A 44 44 CYS N N 26 124.265 118.255 6.010 1
1 270 . 8 1 1 A 45 45 THR H H 27 7.872 8.820 -0.948 1
1 271 . 8 1 1 A 45 45 THR HA H 27 4.511 4.812 -0.301 1
1 276 . 8 1 1 A 45 45 THR C C 27 174.969 173.013 1.956 1
1 277 . 8 1 1 A 45 45 THR CA C 27 61.113 60.704 0.409 1
1 278 . 8 1 1 A 45 45 THR CB C 27 69.834 68.996 0.838 1
1 280 . 8 1 1 A 45 45 THR N N 27 115.292 120.709 -5.417 1
1 281 . 8 1 1 A 46 46 ASN H H 28 9.336 8.208 1.128 1
1 282 . 8 1 1 A 46 46 ASN HA H 28 4.430 4.885 -0.455 1
1 287 . 8 1 1 A 46 46 ASN C C 28 174.273 174.990 -0.717 1
1 288 . 8 1 1 A 46 46 ASN CA C 28 53.144 53.225 -0.081 1
1 289 . 8 1 1 A 46 46 ASN CB C 28 38.500 40.734 -2.234 1
1 290 . 8 1 1 A 46 46 ASN N N 28 127.779 125.431 2.348 1
1 292 . 8 1 1 A 47 47 GLU H H 29 8.499 9.042 -0.543 1
1 293 . 8 1 1 A 47 47 GLU HA H 29 4.006 4.115 -0.109 1
1 298 . 8 1 1 A 47 47 GLU C C 29 175.815 176.805 -0.990 1
1 299 . 8 1 1 A 47 47 GLU CA C 29 58.111 58.367 -0.256 1
1 300 . 8 1 1 A 47 47 GLU CB C 29 29.070 28.718 0.352 1
1 302 . 8 1 1 A 47 47 GLU N N 29 123.804 125.415 -1.611 1
1 303 . 8 1 1 A 48 48 PHE H H 30 7.423 7.852 -0.429 1
1 304 . 8 1 1 A 48 48 PHE HA H 30 4.860 4.926 -0.066 1
1 311 . 8 1 1 A 48 48 PHE C C 30 171.980 174.990 -3.010 1
1 312 . 8 1 1 A 48 48 PHE CA C 30 56.336 57.531 -1.195 1
1 313 . 8 1 1 A 48 48 PHE CB C 30 38.132 39.170 -1.038 1
1 316 . 8 1 1 A 48 48 PHE N N 30 117.186 117.885 -0.699 1
1 317 . 8 1 1 A 49 49 CYS H H 31 7.420 7.570 -0.150 1
1 318 . 8 1 1 A 49 49 CYS HA H 31 4.264 4.901 -0.637 1
1 321 . 8 1 1 A 49 49 CYS C C 31 174.436 172.995 1.441 1
1 322 . 8 1 1 A 49 49 CYS CA C 31 57.047 57.035 0.012 1
1 323 . 8 1 1 A 49 49 CYS CB C 31 33.492 30.992 2.500 1
1 324 . 8 1 1 A 49 49 CYS N N 31 121.843 118.689 3.154 1
1 325 . 8 1 1 A 50 50 ALA H H 32 7.949 8.407 -0.458 1
1 326 . 8 1 1 A 50 50 ALA HA H 32 2.992 3.789 -0.797 1
1 330 . 8 1 1 A 50 50 ALA C C 32 178.762 178.179 0.583 1
1 331 . 8 1 1 A 50 50 ALA CA C 32 53.007 51.746 1.261 1
1 332 . 8 1 1 A 50 50 ALA CB C 32 17.007 19.479 -2.472 1
1 333 . 8 1 1 A 50 50 ALA N N 32 128.103 127.367 0.736 1
1 334 . 8 1 1 A 51 51 SER H H 33 9.507 8.866 0.641 1
1 335 . 8 1 1 A 51 51 SER HA H 33 4.299 4.115 0.184 1
1 338 . 8 1 1 A 51 51 SER C C 33 173.399 172.993 0.406 1
1 339 . 8 1 1 A 51 51 SER CA C 33 60.840 59.544 1.296 1
1 340 . 8 1 1 A 51 51 SER CB C 33 63.679 62.722 0.957 1
1 341 . 8 1 1 A 51 51 SER N N 33 119.062 114.666 4.396 1
1 342 . 8 1 1 A 52 52 CYS H H 34 7.978 7.934 0.044 1
1 343 . 8 1 1 A 52 52 CYS HA H 34 4.652 4.807 -0.155 1
1 346 . 8 1 1 A 52 52 CYS CA C 34 55.835 57.212 -1.377 1
1 347 . 8 1 1 A 52 52 CYS CB C 34 27.879 28.674 -0.795 1
1 348 . 8 1 1 A 52 52 CYS N N 34 124.589 120.010 4.579 1
1 349 . 8 1 1 A 53 53 PRO HA H 35 4.393 4.395 -0.002 1
1 356 . 8 1 1 A 53 53 PRO C C 35 177.889 177.230 0.659 1
1 357 . 8 1 1 A 53 53 PRO CA C 35 65.180 64.711 0.469 1
1 358 . 8 1 1 A 53 53 PRO CB C 35 32.850 32.078 0.772 1
1 361 . 8 1 1 A 54 54 THR H H 36 7.507 7.649 -0.142 1
1 362 . 8 1 1 A 54 54 THR HA H 36 4.314 4.327 -0.013 1
1 367 . 8 1 1 A 54 54 THR C C 36 174.177 175.099 -0.922 1
1 368 . 8 1 1 A 54 54 THR CA C 36 61.195 62.269 -1.074 1
1 369 . 8 1 1 A 54 54 THR CB C 36 68.101 69.344 -1.243 1
1 371 . 8 1 1 A 54 54 THR N N 36 107.002 108.055 -1.053 1
1 372 . 8 1 1 A 55 55 PHE H H 37 7.716 7.460 0.256 1
1 373 . 8 1 1 A 55 55 PHE HA H 37 4.204 4.769 -0.565 1
1 380 . 8 1 1 A 55 55 PHE C C 37 175.228 174.227 1.001 1
1 381 . 8 1 1 A 55 55 PHE CA C 37 58.875 57.590 1.285 1
1 382 . 8 1 1 A 55 55 PHE CB C 37 40.942 39.532 1.410 1
1 385 . 8 1 1 A 55 55 PHE N N 37 124.794 124.701 0.093 1
1 386 . 8 1 1 A 56 56 LEU H H 38 7.490 8.445 -0.955 1
1 387 . 8 1 1 A 56 56 LEU HA H 38 4.310 4.578 -0.268 1
1 397 . 8 1 1 A 56 56 LEU C C 38 174.300 175.755 -1.455 1
1 398 . 8 1 1 A 56 56 LEU CA C 38 53.416 54.065 -0.649 1
1 399 . 8 1 1 A 56 56 LEU CB C 38 41.386 43.120 -1.734 1
1 403 . 8 1 1 A 56 56 LEU N N 38 130.713 129.591 1.122 1
1 404 . 8 1 1 A 57 57 ARG H H 39 7.930 8.336 -0.406 1
1 405 . 8 1 1 A 57 57 ARG HA H 39 3.994 4.231 -0.237 1
1 412 . 8 1 1 A 57 57 ARG CA C 39 57.374 56.758 0.616 1
1 413 . 8 1 1 A 57 57 ARG CB C 39 30.517 31.138 -0.621 1
1 416 . 8 1 1 A 57 57 ARG N N 39 122.866 126.435 -3.569 1
1 417 . 8 1 1 A 58 58 MET H H 40 8.408 8.766 -0.358 1
1 418 . 8 1 1 A 58 58 MET HA H 40 4.706 5.115 -0.409 1
1 423 . 8 1 1 A 58 58 MET C C 40 175.160 173.779 1.381 1
1 424 . 8 1 1 A 58 58 MET CA C 40 53.908 53.600 0.308 1
1 425 . 8 1 1 A 58 58 MET CB C 40 36.603 36.130 0.473 1
1 427 . 8 1 1 A 58 58 MET N N 40 121.024 118.668 2.356 1
1 428 . 8 1 1 A 59 59 ASP H H 41 8.419 8.801 -0.382 1
1 429 . 8 1 1 A 59 59 ASP HA H 41 4.588 4.835 -0.247 1
1 432 . 8 1 1 A 59 59 ASP CA C 41 53.699 53.645 0.054 1
1 433 . 8 1 1 A 59 59 ASP CB C 41 41.540 42.108 -0.568 1
1 434 . 8 1 1 A 59 59 ASP N N 41 120.478 121.492 -1.014 1
1 435 . 8 1 1 A 60 60 ASN HA H 42 4.317 4.541 -0.224 1
1 440 . 8 1 1 A 60 60 ASN C C 42 177.739 177.997 -0.258 1
1 441 . 8 1 1 A 60 60 ASN CA C 42 56.637 56.095 0.542 1
1 442 . 8 1 1 A 60 60 ASN CB C 42 37.586 37.581 0.005 1
1 444 . 8 1 1 A 61 61 ASN H H 43 8.442 7.797 0.645 1
1 445 . 8 1 1 A 61 61 ASN HA H 43 4.450 4.507 -0.057 1
1 448 . 8 1 1 A 61 61 ASN C C 43 177.439 177.471 -0.032 1
1 449 . 8 1 1 A 61 61 ASN CA C 43 56.528 56.168 0.360 1
1 450 . 8 1 1 A 61 61 ASN CB C 43 38.023 37.892 0.131 1
1 451 . 8 1 1 A 61 61 ASN N N 43 118.960 119.240 -0.280 1
1 452 . 8 1 1 A 62 62 ALA H H 44 8.229 8.241 -0.012 1
1 453 . 8 1 1 A 62 62 ALA HA H 44 4.102 4.093 0.009 1
1 457 . 8 1 1 A 62 62 ALA C C 44 180.973 180.224 0.749 1
1 458 . 8 1 1 A 62 62 ALA CA C 44 54.672 54.923 -0.251 1
1 459 . 8 1 1 A 62 62 ALA CB C 44 18.466 18.177 0.289 1
1 460 . 8 1 1 A 62 62 ALA N N 44 123.651 123.115 0.536 1
1 461 . 8 1 1 A 63 63 ALA H H 45 8.779 7.816 0.963 1
1 462 . 8 1 1 A 63 63 ALA HA H 45 4.238 4.371 -0.133 1
1 466 . 8 1 1 A 63 63 ALA C C 45 178.680 179.641 -0.961 1
1 467 . 8 1 1 A 63 63 ALA CA C 45 54.945 55.136 -0.191 1
1 468 . 8 1 1 A 63 63 ALA CB C 45 18.685 18.708 -0.023 1
1 469 . 8 1 1 A 63 63 ALA N N 45 121.928 120.094 1.834 1
1 470 . 8 1 1 A 64 64 ALA H H 46 8.024 8.083 -0.059 1
1 471 . 8 1 1 A 64 64 ALA HA H 46 4.109 4.276 -0.167 1
1 475 . 8 1 1 A 64 64 ALA C C 46 179.731 179.674 0.057 1
1 476 . 8 1 1 A 64 64 ALA CA C 46 55.873 55.245 0.628 1
1 477 . 8 1 1 A 64 64 ALA CB C 46 17.853 18.318 -0.465 1
1 478 . 8 1 1 A 64 64 ALA N N 46 121.126 120.776 0.350 1
1 479 . 8 1 1 A 65 65 ILE H H 47 7.220 8.060 -0.840 1
1 480 . 8 1 1 A 65 65 ILE HA H 47 3.740 3.600 0.140 1
1 490 . 8 1 1 A 65 65 ILE C C 47 179.049 177.921 1.128 1
1 491 . 8 1 1 A 65 65 ILE CA C 47 64.061 65.627 -1.566 1
1 492 . 8 1 1 A 65 65 ILE CB C 47 38.528 37.947 0.581 1
1 496 . 8 1 1 A 65 65 ILE N N 47 117.953 118.304 -0.351 1
1 497 . 8 1 1 A 66 66 LYS H H 48 8.363 8.217 0.146 1
1 498 . 8 1 1 A 66 66 LYS HA H 48 4.062 3.897 0.165 1
1 507 . 8 1 1 A 66 66 LYS C C 48 177.739 178.666 -0.927 1
1 508 . 8 1 1 A 66 66 LYS CA C 48 57.074 59.153 -2.079 1
1 509 . 8 1 1 A 66 66 LYS CB C 48 31.472 32.421 -0.949 1
1 513 . 8 1 1 A 66 66 LYS N N 48 121.894 121.030 0.864 1
1 514 . 8 1 1 A 67 67 ALA H H 49 8.730 8.038 0.692 1
1 515 . 8 1 1 A 67 67 ALA HA H 49 3.682 4.167 -0.485 1
1 519 . 8 1 1 A 67 67 ALA C C 49 178.339 180.141 -1.802 1
1 520 . 8 1 1 A 67 67 ALA CA C 49 56.037 55.045 0.992 1
1 521 . 8 1 1 A 67 67 ALA CB C 49 18.126 18.168 -0.042 1
1 522 . 8 1 1 A 67 67 ALA N N 49 121.723 121.426 0.297 1
1 523 . 8 1 1 A 68 68 LEU H H 50 6.888 7.943 -1.055 1
1 524 . 8 1 1 A 68 68 LEU HA H 50 4.020 4.070 -0.050 1
1 534 . 8 1 1 A 68 68 LEU C C 50 178.776 179.580 -0.804 1
1 535 . 8 1 1 A 68 68 LEU CA C 50 57.892 57.559 0.333 1
1 536 . 8 1 1 A 68 68 LEU CB C 50 41.832 41.496 0.336 1
1 540 . 8 1 1 A 68 68 LEU N N 50 115.156 119.047 -3.891 1
1 541 . 8 1 1 A 69 69 GLU H H 51 7.216 7.974 -0.758 1
1 542 . 8 1 1 A 69 69 GLU HA H 51 3.836 3.994 -0.158 1
1 547 . 8 1 1 A 69 69 GLU C C 51 178.721 179.363 -0.642 1
1 548 . 8 1 1 A 69 69 GLU CA C 51 59.257 59.145 0.112 1
1 549 . 8 1 1 A 69 69 GLU CB C 51 29.343 29.980 -0.637 1
1 551 . 8 1 1 A 69 69 GLU N N 51 119.727 119.593 0.134 1
1 552 . 8 1 1 A 70 70 LEU H H 52 8.326 8.128 0.198 1
1 553 . 8 1 1 A 70 70 LEU HA H 52 3.501 3.708 -0.207 1
1 563 . 8 1 1 A 70 70 LEU C C 52 178.421 178.422 -0.001 1
1 564 . 8 1 1 A 70 70 LEU CA C 52 56.814 57.252 -0.438 1
1 565 . 8 1 1 A 70 70 LEU CB C 52 39.497 40.636 -1.139 1
1 569 . 8 1 1 A 70 70 LEU N N 52 117.442 119.219 -1.777 1
1 570 . 8 1 1 A 71 71 TYR H H 53 7.440 7.792 -0.352 1
1 571 . 8 1 1 A 71 71 TYR HA H 53 4.010 3.797 0.213 1
1 578 . 8 1 1 A 71 71 TYR C C 53 177.602 177.926 -0.324 1
1 579 . 8 1 1 A 71 71 TYR CA C 53 60.751 61.377 -0.626 1
1 580 . 8 1 1 A 71 71 TYR CB C 53 38.221 38.469 -0.248 1
1 583 . 8 1 1 A 71 71 TYR N N 53 118.670 119.798 -1.128 1
1 584 . 8 1 1 A 72 72 LYS H H 54 7.720 8.072 -0.352 1
1 585 . 8 1 1 A 72 72 LYS HA H 54 3.543 3.855 -0.312 1
1 594 . 8 1 1 A 72 72 LYS C C 54 178.216 177.909 0.307 1
1 595 . 8 1 1 A 72 72 LYS CA C 54 59.475 58.984 0.491 1
1 596 . 8 1 1 A 72 72 LYS CB C 54 32.400 31.839 0.561 1
1 600 . 8 1 1 A 72 72 LYS N N 54 120.512 118.070 2.442 1
1 601 . 8 1 1 A 73 73 ILE H H 55 7.265 7.337 -0.072 1
1 602 . 8 1 1 A 73 73 ILE HA H 55 4.327 4.053 0.274 1
1 610 . 8 1 1 A 73 73 ILE CA C 55 60.625 61.776 -1.151 1
1 611 . 8 1 1 A 73 73 ILE CB C 55 38.244 38.784 -0.540 1
1 614 . 8 1 1 A 73 73 ILE N N 55 109.032 115.715 -6.683 1
1 615 . 8 1 1 A 74 74 ASN HA H 56 4.225 4.299 -0.074 1
1 620 . 8 1 1 A 74 74 ASN C C 56 174.532 174.276 0.256 1
1 621 . 8 1 1 A 74 74 ASN CA C 56 53.853 54.267 -0.414 1
1 622 . 8 1 1 A 74 74 ASN CB C 56 37.027 36.718 0.309 1
1 624 . 8 1 1 A 75 75 ALA H H 57 7.653 7.805 -0.152 1
1 625 . 8 1 1 A 75 75 ALA HA H 57 4.126 4.425 -0.299 1
1 629 . 8 1 1 A 75 75 ALA C C 57 177.848 176.995 0.853 1
1 630 . 8 1 1 A 75 75 ALA CA C 57 51.969 51.660 0.309 1
1 631 . 8 1 1 A 75 75 ALA CB C 57 20.500 20.107 0.393 1
1 632 . 8 1 1 A 75 75 ALA N N 57 119.216 119.851 -0.635 1
1 633 . 8 1 1 A 76 76 LYS H H 58 8.612 8.660 -0.048 1
1 634 . 8 1 1 A 76 76 LYS HA H 58 3.999 4.431 -0.432 1
1 643 . 8 1 1 A 76 76 LYS C C 58 176.142 175.721 0.421 1
1 644 . 8 1 1 A 76 76 LYS CA C 58 58.220 56.229 1.991 1
1 645 . 8 1 1 A 76 76 LYS CB C 58 32.673 32.092 0.581 1
1 649 . 8 1 1 A 76 76 LYS N N 58 122.696 118.964 3.732 1
1 650 . 8 1 1 A 77 77 LEU H H 59 8.427 8.598 -0.171 1
1 651 . 8 1 1 A 77 77 LEU HA H 59 4.954 4.767 0.187 1
1 661 . 8 1 1 A 77 77 LEU C C 59 177.712 175.595 2.117 1
1 662 . 8 1 1 A 77 77 LEU CA C 59 52.843 54.029 -1.186 1
1 663 . 8 1 1 A 77 77 LEU CB C 59 43.611 43.105 0.506 1
1 667 . 8 1 1 A 77 77 LEU N N 59 129.775 126.772 3.003 1
1 668 . 8 1 1 A 78 78 CYS H H 60 8.573 8.838 -0.265 1
1 669 . 8 1 1 A 78 78 CYS HA H 60 3.938 4.717 -0.779 1
1 672 . 8 1 1 A 78 78 CYS C C 60 176.265 173.612 2.653 1
1 673 . 8 1 1 A 78 78 CYS CA C 60 61.768 58.074 3.694 1
1 674 . 8 1 1 A 78 78 CYS CB C 60 31.103 26.823 4.280 1
1 675 . 8 1 1 A 78 78 CYS N N 60 126.244 128.132 -1.888 1
1 676 . 8 1 1 A 79 79 ASP H H 61 8.570 8.253 0.317 1
1 677 . 8 1 1 A 79 79 ASP HA H 61 4.765 4.947 -0.182 1
1 680 . 8 1 1 A 79 79 ASP CA C 61 52.464 52.629 -0.165 1
1 681 . 8 1 1 A 79 79 ASP CB C 61 40.598 40.858 -0.260 1
1 682 . 8 1 1 A 79 79 ASP N N 61 123.037 126.402 -3.365 1
1 683 . 8 1 1 A 80 80 PRO HA H 62 4.351 4.727 -0.376 1
1 690 . 8 1 1 A 80 80 PRO C C 62 175.296 176.487 -1.191 1
1 691 . 8 1 1 A 80 80 PRO CA C 62 63.419 62.641 0.778 1
1 692 . 8 1 1 A 80 80 PRO CB C 62 31.963 31.758 0.205 1
1 695 . 8 1 1 A 81 81 HIS H H 63 8.283 8.236 0.047 1
1 696 . 8 1 1 A 81 81 HIS HA H 63 4.737 5.083 -0.346 1
1 697 . 8 1 1 A 81 81 HIS CA C 63 54.272 53.283 0.989 1
1 698 . 8 1 1 A 81 81 HIS N N 63 122.934 117.187 5.747 1
1 1 . 9 1 1 A 20 20 LYS HA H 2 4.205 4.363 -0.158 1
1 8 . 9 1 1 A 20 20 LYS C C 2 176.538 175.172 1.366 1
1 9 . 9 1 1 A 20 20 LYS CA C 2 56.364 55.386 0.978 1
1 10 . 9 1 1 A 20 20 LYS CB C 2 30.708 31.146 -0.438 1
1 13 . 9 1 1 A 21 21 ARG H H 3 8.541 7.854 0.687 1
1 14 . 9 1 1 A 21 21 ARG N N 3 120.785 126.785 -6.000 1
1 15 . 9 1 1 A 22 22 ALA HA H 4 4.082 3.823 0.259 1
1 19 . 9 1 1 A 22 22 ALA CA C 4 54.047 55.394 -1.347 1
1 20 . 9 1 1 A 22 22 ALA CB C 4 18.824 18.099 0.725 1
1 21 . 9 1 1 A 23 23 ALA HA H 5 4.177 4.230 -0.053 1
1 25 . 9 1 1 A 23 23 ALA C C 5 178.940 179.562 -0.622 1
1 26 . 9 1 1 A 23 23 ALA CA C 5 53.798 54.975 -1.177 1
1 27 . 9 1 1 A 23 23 ALA CB C 5 18.753 18.382 0.371 1
1 28 . 9 1 1 A 24 24 ALA H H 6 7.783 7.879 -0.096 1
1 29 . 9 1 1 A 24 24 ALA HA H 6 4.007 4.157 -0.150 1
1 33 . 9 1 1 A 24 24 ALA C C 6 178.203 179.668 -1.465 1
1 34 . 9 1 1 A 24 24 ALA CA C 6 54.590 55.227 -0.637 1
1 35 . 9 1 1 A 24 24 ALA CB C 6 18.494 18.144 0.350 1
1 36 . 9 1 1 A 24 24 ALA N N 6 121.484 120.388 1.096 1
1 37 . 9 1 1 A 25 25 LYS H H 7 7.921 7.846 0.075 1
1 38 . 9 1 1 A 25 25 LYS HA H 7 3.723 3.996 -0.273 1
1 47 . 9 1 1 A 25 25 LYS C C 7 178.121 179.328 -1.207 1
1 48 . 9 1 1 A 25 25 LYS CA C 7 59.475 58.414 1.061 1
1 49 . 9 1 1 A 25 25 LYS CB C 7 32.382 31.864 0.518 1
1 53 . 9 1 1 A 25 25 LYS N N 7 117.083 117.362 -0.279 1
1 54 . 9 1 1 A 26 26 HIS H H 8 7.810 7.706 0.104 1
1 55 . 9 1 1 A 26 26 HIS HA H 8 4.327 4.391 -0.064 1
1 58 . 9 1 1 A 26 26 HIS C C 8 175.774 178.156 -2.382 1
1 59 . 9 1 1 A 26 26 HIS CA C 8 58.657 59.893 -1.236 1
1 60 . 9 1 1 A 26 26 HIS CB C 8 30.271 30.984 -0.713 1
1 61 . 9 1 1 A 26 26 HIS N N 8 117.117 118.153 -1.036 1
1 62 . 9 1 1 A 27 27 LEU H H 9 7.710 8.099 -0.389 1
1 63 . 9 1 1 A 27 27 LEU HA H 9 3.921 4.113 -0.192 1
1 72 . 9 1 1 A 27 27 LEU C C 9 178.585 178.913 -0.328 1
1 73 . 9 1 1 A 27 27 LEU CA C 9 58.002 57.968 0.034 1
1 74 . 9 1 1 A 27 27 LEU CB C 9 42.288 41.785 0.503 1
1 77 . 9 1 1 A 27 27 LEU N N 9 120.717 119.120 1.597 1
1 78 . 9 1 1 A 28 28 ILE H H 10 8.559 7.998 0.561 1
1 79 . 9 1 1 A 28 28 ILE HA H 10 3.656 3.519 0.137 1
1 89 . 9 1 1 A 28 28 ILE C C 10 178.148 178.208 -0.060 1
1 90 . 9 1 1 A 28 28 ILE CA C 10 66.845 65.069 1.776 1
1 91 . 9 1 1 A 28 28 ILE CB C 10 37.913 37.323 0.590 1
1 95 . 9 1 1 A 28 28 ILE N N 10 120.086 120.109 -0.023 1
1 96 . 9 1 1 A 29 29 GLU H H 11 7.849 8.100 -0.251 1
1 97 . 9 1 1 A 29 29 GLU HA H 11 4.013 4.151 -0.138 1
1 102 . 9 1 1 A 29 29 GLU C C 11 179.376 179.122 0.254 1
1 103 . 9 1 1 A 29 29 GLU CA C 11 59.584 59.331 0.253 1
1 104 . 9 1 1 A 29 29 GLU CB C 11 29.070 29.254 -0.184 1
1 106 . 9 1 1 A 29 29 GLU N N 11 118.346 121.241 -2.895 1
1 107 . 9 1 1 A 30 30 ARG H H 12 7.839 7.851 -0.012 1
1 108 . 9 1 1 A 30 30 ARG HA H 12 4.064 4.066 -0.002 1
1 115 . 9 1 1 A 30 30 ARG C C 12 180.318 178.863 1.455 1
1 116 . 9 1 1 A 30 30 ARG CA C 12 59.585 59.641 -0.056 1
1 117 . 9 1 1 A 30 30 ARG CB C 12 29.234 29.855 -0.621 1
1 120 . 9 1 1 A 30 30 ARG N N 12 120.904 119.209 1.695 1
1 121 . 9 1 1 A 31 31 TYR H H 13 8.545 7.717 0.828 1
1 122 . 9 1 1 A 31 31 TYR HA H 13 4.064 4.288 -0.224 1
1 129 . 9 1 1 A 31 31 TYR C C 13 177.725 178.385 -0.660 1
1 130 . 9 1 1 A 31 31 TYR CA C 13 63.351 60.224 3.127 1
1 131 . 9 1 1 A 31 31 TYR CB C 13 38.623 38.264 0.359 1
1 134 . 9 1 1 A 31 31 TYR N N 13 120.393 120.144 0.249 1
1 135 . 9 1 1 A 32 32 TYR H H 14 8.783 8.317 0.466 1
1 136 . 9 1 1 A 32 32 TYR HA H 14 3.948 4.331 -0.383 1
1 143 . 9 1 1 A 32 32 TYR C C 14 178.599 177.633 0.966 1
1 144 . 9 1 1 A 32 32 TYR CA C 14 62.669 61.694 0.975 1
1 145 . 9 1 1 A 32 32 TYR CB C 14 38.350 38.778 -0.428 1
1 148 . 9 1 1 A 32 32 TYR N N 14 120.342 120.602 -0.260 1
1 149 . 9 1 1 A 33 33 HIS H H 15 8.740 8.275 0.465 1
1 150 . 9 1 1 A 33 33 HIS HA H 15 3.906 4.490 -0.584 1
1 153 . 9 1 1 A 33 33 HIS C C 15 177.834 177.052 0.782 1
1 154 . 9 1 1 A 33 33 HIS CA C 15 60.622 59.342 1.280 1
1 155 . 9 1 1 A 33 33 HIS CB C 15 30.599 29.924 0.675 1
1 156 . 9 1 1 A 33 33 HIS N N 15 121.297 119.136 2.161 1
1 157 . 9 1 1 A 34 34 GLN H H 16 8.371 8.057 0.314 1
1 158 . 9 1 1 A 34 34 GLN HA H 16 3.709 3.832 -0.123 1
1 165 . 9 1 1 A 34 34 GLN C C 16 176.238 177.719 -1.481 1
1 166 . 9 1 1 A 34 34 GLN CA C 16 60.185 58.573 1.612 1
1 167 . 9 1 1 A 34 34 GLN CB C 16 30.653 28.263 2.390 1
1 169 . 9 1 1 A 34 34 GLN N N 16 122.576 118.347 4.229 1
1 171 . 9 1 1 A 35 35 LEU H H 17 7.916 7.645 0.271 1
1 172 . 9 1 1 A 35 35 LEU HA H 17 3.978 4.092 -0.114 1
1 182 . 9 1 1 A 35 35 LEU C C 17 175.624 178.747 -3.123 1
1 183 . 9 1 1 A 35 35 LEU CA C 17 56.377 56.575 -0.198 1
1 184 . 9 1 1 A 35 35 LEU CB C 17 45.098 42.000 3.098 1
1 188 . 9 1 1 A 35 35 LEU N N 17 116.299 118.171 -1.872 1
1 189 . 9 1 1 A 36 36 THR H H 18 7.148 7.383 -0.235 1
1 190 . 9 1 1 A 36 36 THR HA H 18 4.215 4.155 0.060 1
1 195 . 9 1 1 A 36 36 THR C C 18 174.709 176.104 -1.395 1
1 196 . 9 1 1 A 36 36 THR CA C 18 61.522 64.703 -3.181 1
1 197 . 9 1 1 A 36 36 THR CB C 18 70.434 68.775 1.659 1
1 199 . 9 1 1 A 36 36 THR N N 18 105.023 110.956 -5.933 1
1 200 . 9 1 1 A 37 37 GLU H H 19 8.234 7.841 0.393 1
1 201 . 9 1 1 A 37 37 GLU HA H 19 4.187 4.405 -0.218 1
1 206 . 9 1 1 A 37 37 GLU C C 19 177.657 177.300 0.357 1
1 207 . 9 1 1 A 37 37 GLU CA C 19 56.855 55.863 0.992 1
1 208 . 9 1 1 A 37 37 GLU CB C 19 30.872 31.803 -0.931 1
1 210 . 9 1 1 A 37 37 GLU N N 19 122.559 119.221 3.338 1
1 211 . 9 1 1 A 38 38 GLY H H 20 7.485 7.952 -0.467 1
1 212 . 9 1 1 A 38 38 GLY HA2 H 20 4.586 3.780 0.806 1
1 213 . 9 1 1 A 38 38 GLY HA3 H 20 4.358 3.781 0.577 1
1 214 . 9 1 1 A 38 38 GLY C C 20 172.976 174.325 -1.349 1
1 215 . 9 1 1 A 38 38 GLY CA C 20 44.177 46.567 -2.390 1
1 216 . 9 1 1 A 38 38 GLY N N 20 107.019 107.749 -0.730 1
1 217 . 9 1 1 A 39 39 CYS H H 21 7.410 8.174 -0.764 1
1 218 . 9 1 1 A 39 39 CYS HA H 21 4.498 4.571 -0.073 1
1 221 . 9 1 1 A 39 39 CYS C C 21 176.865 175.925 0.940 1
1 222 . 9 1 1 A 39 39 CYS CA C 21 58.493 58.316 0.177 1
1 223 . 9 1 1 A 39 39 CYS CB C 21 31.636 29.094 2.542 1
1 224 . 9 1 1 A 39 39 CYS N N 21 118.260 123.583 -5.323 1
1 225 . 9 1 1 A 40 40 GLY H H 22 8.670 7.679 0.991 1
1 226 . 9 1 1 A 40 40 GLY HA2 H 22 4.260 3.933 0.327 1
1 227 . 9 1 1 A 40 40 GLY HA3 H 22 3.505 4.002 -0.497 1
1 228 . 9 1 1 A 40 40 GLY C C 22 173.618 174.302 -0.684 1
1 229 . 9 1 1 A 40 40 GLY CA C 22 45.188 45.503 -0.315 1
1 230 . 9 1 1 A 40 40 GLY N N 22 112.324 110.261 2.063 1
1 231 . 9 1 1 A 41 41 ASN H H 23 8.379 7.836 0.543 1
1 232 . 9 1 1 A 41 41 ASN HA H 23 4.452 4.508 -0.056 1
1 237 . 9 1 1 A 41 41 ASN C C 23 175.132 176.495 -1.363 1
1 238 . 9 1 1 A 41 41 ASN CA C 23 52.106 53.314 -1.208 1
1 239 . 9 1 1 A 41 41 ASN CB C 23 38.678 38.251 0.427 1
1 240 . 9 1 1 A 41 41 ASN N N 23 122.184 118.849 3.335 1
1 242 . 9 1 1 A 42 42 GLU H H 24 8.769 8.785 -0.016 1
1 243 . 9 1 1 A 42 42 GLU HA H 24 4.167 4.522 -0.355 1
1 248 . 9 1 1 A 42 42 GLU C C 24 175.801 176.327 -0.526 1
1 249 . 9 1 1 A 42 42 GLU CA C 24 57.947 58.374 -0.427 1
1 250 . 9 1 1 A 42 42 GLU CB C 24 29.016 29.508 -0.492 1
1 252 . 9 1 1 A 42 42 GLU N N 24 124.589 120.288 4.301 1
1 253 . 9 1 1 A 43 43 ALA H H 25 7.839 7.346 0.493 1
1 254 . 9 1 1 A 43 43 ALA HA H 25 4.381 4.381 0.000 1
1 258 . 9 1 1 A 43 43 ALA C C 25 175.842 176.260 -0.418 1
1 259 . 9 1 1 A 43 43 ALA CA C 25 50.319 51.764 -1.445 1
1 260 . 9 1 1 A 43 43 ALA CB C 25 18.563 17.353 1.210 1
1 261 . 9 1 1 A 43 43 ALA N N 25 121.706 121.616 0.090 1
1 262 . 9 1 1 A 44 44 CYS H H 26 7.350 7.794 -0.444 1
1 263 . 9 1 1 A 44 44 CYS HA H 26 3.757 4.854 -1.097 1
1 266 . 9 1 1 A 44 44 CYS C C 26 176.019 174.667 1.352 1
1 267 . 9 1 1 A 44 44 CYS CA C 26 62.696 57.525 5.171 1
1 268 . 9 1 1 A 44 44 CYS CB C 26 29.671 29.367 0.304 1
1 269 . 9 1 1 A 44 44 CYS N N 26 124.265 121.095 3.170 1
1 270 . 9 1 1 A 45 45 THR H H 27 7.872 8.616 -0.744 1
1 271 . 9 1 1 A 45 45 THR HA H 27 4.511 4.262 0.249 1
1 276 . 9 1 1 A 45 45 THR C C 27 174.969 174.566 0.403 1
1 277 . 9 1 1 A 45 45 THR CA C 27 61.113 63.958 -2.845 1
1 278 . 9 1 1 A 45 45 THR CB C 27 69.834 69.219 0.615 1
1 280 . 9 1 1 A 45 45 THR N N 27 115.292 120.612 -5.320 1
1 281 . 9 1 1 A 46 46 ASN H H 28 9.336 7.822 1.514 1
1 282 . 9 1 1 A 46 46 ASN HA H 28 4.430 4.692 -0.262 1
1 287 . 9 1 1 A 46 46 ASN C C 28 174.273 176.413 -2.140 1
1 288 . 9 1 1 A 46 46 ASN CA C 28 53.144 53.105 0.039 1
1 289 . 9 1 1 A 46 46 ASN CB C 28 38.500 39.115 -0.615 1
1 290 . 9 1 1 A 46 46 ASN N N 28 127.779 119.895 7.884 1
1 292 . 9 1 1 A 47 47 GLU H H 29 8.499 8.772 -0.273 1
1 293 . 9 1 1 A 47 47 GLU HA H 29 4.006 4.111 -0.105 1
1 298 . 9 1 1 A 47 47 GLU C C 29 175.815 177.049 -1.234 1
1 299 . 9 1 1 A 47 47 GLU CA C 29 58.111 58.180 -0.069 1
1 300 . 9 1 1 A 47 47 GLU CB C 29 29.070 28.198 0.872 1
1 302 . 9 1 1 A 47 47 GLU N N 29 123.804 125.443 -1.639 1
1 303 . 9 1 1 A 48 48 PHE H H 30 7.423 7.794 -0.371 1
1 304 . 9 1 1 A 48 48 PHE HA H 30 4.860 4.863 -0.003 1
1 311 . 9 1 1 A 48 48 PHE C C 30 171.980 174.995 -3.015 1
1 312 . 9 1 1 A 48 48 PHE CA C 30 56.336 57.989 -1.653 1
1 313 . 9 1 1 A 48 48 PHE CB C 30 38.132 38.882 -0.750 1
1 316 . 9 1 1 A 48 48 PHE N N 30 117.186 117.922 -0.736 1
1 317 . 9 1 1 A 49 49 CYS H H 31 7.420 7.691 -0.271 1
1 318 . 9 1 1 A 49 49 CYS HA H 31 4.264 5.039 -0.775 1
1 321 . 9 1 1 A 49 49 CYS C C 31 174.436 173.037 1.399 1
1 322 . 9 1 1 A 49 49 CYS CA C 31 57.047 57.094 -0.047 1
1 323 . 9 1 1 A 49 49 CYS CB C 31 33.492 30.868 2.624 1
1 324 . 9 1 1 A 49 49 CYS N N 31 121.843 119.007 2.836 1
1 325 . 9 1 1 A 50 50 ALA H H 32 7.949 8.258 -0.309 1
1 326 . 9 1 1 A 50 50 ALA HA H 32 2.992 3.073 -0.081 1
1 330 . 9 1 1 A 50 50 ALA C C 32 178.762 177.888 0.874 1
1 331 . 9 1 1 A 50 50 ALA CA C 32 53.007 51.516 1.491 1
1 332 . 9 1 1 A 50 50 ALA CB C 32 17.007 19.064 -2.057 1
1 333 . 9 1 1 A 50 50 ALA N N 32 128.103 128.476 -0.373 1
1 334 . 9 1 1 A 51 51 SER H H 33 9.507 8.666 0.841 1
1 335 . 9 1 1 A 51 51 SER HA H 33 4.299 4.034 0.265 1
1 338 . 9 1 1 A 51 51 SER C C 33 173.399 173.655 -0.256 1
1 339 . 9 1 1 A 51 51 SER CA C 33 60.840 60.475 0.365 1
1 340 . 9 1 1 A 51 51 SER CB C 33 63.679 61.737 1.942 1
1 341 . 9 1 1 A 51 51 SER N N 33 119.062 111.552 7.510 1
1 342 . 9 1 1 A 52 52 CYS H H 34 7.978 7.195 0.783 1
1 343 . 9 1 1 A 52 52 CYS HA H 34 4.652 4.620 0.032 1
1 346 . 9 1 1 A 52 52 CYS CA C 34 55.835 58.049 -2.214 1
1 347 . 9 1 1 A 52 52 CYS CB C 34 27.879 27.913 -0.034 1
1 348 . 9 1 1 A 52 52 CYS N N 34 124.589 119.721 4.868 1
1 349 . 9 1 1 A 53 53 PRO HA H 35 4.393 4.542 -0.149 1
1 356 . 9 1 1 A 53 53 PRO C C 35 177.889 176.945 0.944 1
1 357 . 9 1 1 A 53 53 PRO CA C 35 65.180 63.975 1.205 1
1 358 . 9 1 1 A 53 53 PRO CB C 35 32.850 31.687 1.163 1
1 361 . 9 1 1 A 54 54 THR H H 36 7.507 7.836 -0.329 1
1 362 . 9 1 1 A 54 54 THR HA H 36 4.314 4.326 -0.012 1
1 367 . 9 1 1 A 54 54 THR C C 36 174.177 175.036 -0.859 1
1 368 . 9 1 1 A 54 54 THR CA C 36 61.195 61.962 -0.767 1
1 369 . 9 1 1 A 54 54 THR CB C 36 68.101 69.819 -1.718 1
1 371 . 9 1 1 A 54 54 THR N N 36 107.002 108.414 -1.412 1
1 372 . 9 1 1 A 55 55 PHE H H 37 7.716 7.528 0.188 1
1 373 . 9 1 1 A 55 55 PHE HA H 37 4.204 4.446 -0.242 1
1 380 . 9 1 1 A 55 55 PHE C C 37 175.228 174.141 1.087 1
1 381 . 9 1 1 A 55 55 PHE CA C 37 58.875 59.389 -0.514 1
1 382 . 9 1 1 A 55 55 PHE CB C 37 40.942 39.826 1.116 1
1 385 . 9 1 1 A 55 55 PHE N N 37 124.794 123.984 0.810 1
1 386 . 9 1 1 A 56 56 LEU H H 38 7.490 8.284 -0.794 1
1 387 . 9 1 1 A 56 56 LEU HA H 38 4.310 4.894 -0.584 1
1 397 . 9 1 1 A 56 56 LEU C C 38 174.300 176.098 -1.798 1
1 398 . 9 1 1 A 56 56 LEU CA C 38 53.416 52.844 0.572 1
1 399 . 9 1 1 A 56 56 LEU CB C 38 41.386 44.394 -3.008 1
1 403 . 9 1 1 A 56 56 LEU N N 38 130.713 127.269 3.444 1
1 404 . 9 1 1 A 57 57 ARG H H 39 7.930 8.325 -0.395 1
1 405 . 9 1 1 A 57 57 ARG HA H 39 3.994 4.419 -0.425 1
1 412 . 9 1 1 A 57 57 ARG CA C 39 57.374 56.989 0.385 1
1 413 . 9 1 1 A 57 57 ARG CB C 39 30.517 31.087 -0.570 1
1 416 . 9 1 1 A 57 57 ARG N N 39 122.866 122.701 0.165 1
1 417 . 9 1 1 A 58 58 MET H H 40 8.408 8.742 -0.334 1
1 418 . 9 1 1 A 58 58 MET HA H 40 4.706 5.118 -0.412 1
1 423 . 9 1 1 A 58 58 MET C C 40 175.160 173.943 1.217 1
1 424 . 9 1 1 A 58 58 MET CA C 40 53.908 53.807 0.101 1
1 425 . 9 1 1 A 58 58 MET CB C 40 36.603 35.976 0.627 1
1 427 . 9 1 1 A 58 58 MET N N 40 121.024 118.885 2.139 1
1 428 . 9 1 1 A 59 59 ASP H H 41 8.419 8.790 -0.371 1
1 429 . 9 1 1 A 59 59 ASP HA H 41 4.588 4.681 -0.093 1
1 432 . 9 1 1 A 59 59 ASP CA C 41 53.699 53.914 -0.215 1
1 433 . 9 1 1 A 59 59 ASP CB C 41 41.540 42.285 -0.745 1
1 434 . 9 1 1 A 59 59 ASP N N 41 120.478 121.892 -1.414 1
1 435 . 9 1 1 A 60 60 ASN HA H 42 4.317 4.477 -0.160 1
1 440 . 9 1 1 A 60 60 ASN C C 42 177.739 177.184 0.555 1
1 441 . 9 1 1 A 60 60 ASN CA C 42 56.637 57.517 -0.880 1
1 442 . 9 1 1 A 60 60 ASN CB C 42 37.586 39.094 -1.508 1
1 444 . 9 1 1 A 61 61 ASN H H 43 8.442 7.822 0.620 1
1 445 . 9 1 1 A 61 61 ASN HA H 43 4.450 4.535 -0.085 1
1 448 . 9 1 1 A 61 61 ASN C C 43 177.439 177.489 -0.050 1
1 449 . 9 1 1 A 61 61 ASN CA C 43 56.528 56.274 0.254 1
1 450 . 9 1 1 A 61 61 ASN CB C 43 38.023 37.887 0.136 1
1 451 . 9 1 1 A 61 61 ASN N N 43 118.960 117.012 1.948 1
1 452 . 9 1 1 A 62 62 ALA H H 44 8.229 8.081 0.148 1
1 453 . 9 1 1 A 62 62 ALA HA H 44 4.102 4.116 -0.014 1
1 457 . 9 1 1 A 62 62 ALA C C 44 180.973 180.253 0.720 1
1 458 . 9 1 1 A 62 62 ALA CA C 44 54.672 54.888 -0.216 1
1 459 . 9 1 1 A 62 62 ALA CB C 44 18.466 18.232 0.234 1
1 460 . 9 1 1 A 62 62 ALA N N 44 123.651 123.183 0.468 1
1 461 . 9 1 1 A 63 63 ALA H H 45 8.779 8.074 0.705 1
1 462 . 9 1 1 A 63 63 ALA HA H 45 4.238 4.373 -0.135 1
1 466 . 9 1 1 A 63 63 ALA C C 45 178.680 179.036 -0.356 1
1 467 . 9 1 1 A 63 63 ALA CA C 45 54.945 55.152 -0.207 1
1 468 . 9 1 1 A 63 63 ALA CB C 45 18.685 18.598 0.087 1
1 469 . 9 1 1 A 63 63 ALA N N 45 121.928 120.071 1.857 1
1 470 . 9 1 1 A 64 64 ALA H H 46 8.024 8.035 -0.011 1
1 471 . 9 1 1 A 64 64 ALA HA H 46 4.109 4.256 -0.147 1
1 475 . 9 1 1 A 64 64 ALA C C 46 179.731 179.678 0.053 1
1 476 . 9 1 1 A 64 64 ALA CA C 46 55.873 55.504 0.369 1
1 477 . 9 1 1 A 64 64 ALA CB C 46 17.853 18.160 -0.307 1
1 478 . 9 1 1 A 64 64 ALA N N 46 121.126 120.919 0.207 1
1 479 . 9 1 1 A 65 65 ILE H H 47 7.220 7.899 -0.679 1
1 480 . 9 1 1 A 65 65 ILE HA H 47 3.740 3.699 0.041 1
1 490 . 9 1 1 A 65 65 ILE C C 47 179.049 178.017 1.032 1
1 491 . 9 1 1 A 65 65 ILE CA C 47 64.061 65.501 -1.440 1
1 492 . 9 1 1 A 65 65 ILE CB C 47 38.528 37.910 0.618 1
1 496 . 9 1 1 A 65 65 ILE N N 47 117.953 118.704 -0.751 1
1 497 . 9 1 1 A 66 66 LYS H H 48 8.363 8.143 0.220 1
1 498 . 9 1 1 A 66 66 LYS HA H 48 4.062 4.040 0.022 1
1 507 . 9 1 1 A 66 66 LYS C C 48 177.739 178.926 -1.187 1
1 508 . 9 1 1 A 66 66 LYS CA C 48 57.074 58.876 -1.802 1
1 509 . 9 1 1 A 66 66 LYS CB C 48 31.472 32.223 -0.751 1
1 513 . 9 1 1 A 66 66 LYS N N 48 121.894 120.660 1.234 1
1 514 . 9 1 1 A 67 67 ALA H H 49 8.730 8.139 0.591 1
1 515 . 9 1 1 A 67 67 ALA HA H 49 3.682 4.219 -0.537 1
1 519 . 9 1 1 A 67 67 ALA C C 49 178.339 180.163 -1.824 1
1 520 . 9 1 1 A 67 67 ALA CA C 49 56.037 55.231 0.806 1
1 521 . 9 1 1 A 67 67 ALA CB C 49 18.126 18.685 -0.559 1
1 522 . 9 1 1 A 67 67 ALA N N 49 121.723 122.748 -1.025 1
1 523 . 9 1 1 A 68 68 LEU H H 50 6.888 7.999 -1.111 1
1 524 . 9 1 1 A 68 68 LEU HA H 50 4.020 4.092 -0.072 1
1 534 . 9 1 1 A 68 68 LEU C C 50 178.776 179.650 -0.874 1
1 535 . 9 1 1 A 68 68 LEU CA C 50 57.892 57.766 0.126 1
1 536 . 9 1 1 A 68 68 LEU CB C 50 41.832 41.170 0.662 1
1 540 . 9 1 1 A 68 68 LEU N N 50 115.156 118.068 -2.912 1
1 541 . 9 1 1 A 69 69 GLU H H 51 7.216 8.185 -0.969 1
1 542 . 9 1 1 A 69 69 GLU HA H 51 3.836 4.057 -0.221 1
1 547 . 9 1 1 A 69 69 GLU C C 51 178.721 179.120 -0.399 1
1 548 . 9 1 1 A 69 69 GLU CA C 51 59.257 59.356 -0.099 1
1 549 . 9 1 1 A 69 69 GLU CB C 51 29.343 29.671 -0.328 1
1 551 . 9 1 1 A 69 69 GLU N N 51 119.727 120.700 -0.973 1
1 552 . 9 1 1 A 70 70 LEU H H 52 8.326 8.142 0.184 1
1 553 . 9 1 1 A 70 70 LEU HA H 52 3.501 3.751 -0.250 1
1 563 . 9 1 1 A 70 70 LEU C C 52 178.421 178.418 0.003 1
1 564 . 9 1 1 A 70 70 LEU CA C 52 56.814 57.223 -0.409 1
1 565 . 9 1 1 A 70 70 LEU CB C 52 39.497 40.739 -1.242 1
1 569 . 9 1 1 A 70 70 LEU N N 52 117.442 119.201 -1.759 1
1 570 . 9 1 1 A 71 71 TYR H H 53 7.440 7.896 -0.456 1
1 571 . 9 1 1 A 71 71 TYR HA H 53 4.010 3.954 0.056 1
1 578 . 9 1 1 A 71 71 TYR C C 53 177.602 177.807 -0.205 1
1 579 . 9 1 1 A 71 71 TYR CA C 53 60.751 61.514 -0.763 1
1 580 . 9 1 1 A 71 71 TYR CB C 53 38.221 38.547 -0.326 1
1 583 . 9 1 1 A 71 71 TYR N N 53 118.670 120.126 -1.456 1
1 584 . 9 1 1 A 72 72 LYS H H 54 7.720 8.134 -0.414 1
1 585 . 9 1 1 A 72 72 LYS HA H 54 3.543 3.867 -0.324 1
1 594 . 9 1 1 A 72 72 LYS C C 54 178.216 178.044 0.172 1
1 595 . 9 1 1 A 72 72 LYS CA C 54 59.475 59.137 0.338 1
1 596 . 9 1 1 A 72 72 LYS CB C 54 32.400 32.006 0.394 1
1 600 . 9 1 1 A 72 72 LYS N N 54 120.512 118.339 2.173 1
1 601 . 9 1 1 A 73 73 ILE H H 55 7.265 7.370 -0.105 1
1 602 . 9 1 1 A 73 73 ILE HA H 55 4.327 4.042 0.285 1
1 610 . 9 1 1 A 73 73 ILE CA C 55 60.625 61.771 -1.146 1
1 611 . 9 1 1 A 73 73 ILE CB C 55 38.244 38.457 -0.213 1
1 614 . 9 1 1 A 73 73 ILE N N 55 109.032 115.381 -6.349 1
1 615 . 9 1 1 A 74 74 ASN HA H 56 4.225 4.273 -0.048 1
1 620 . 9 1 1 A 74 74 ASN C C 56 174.532 174.517 0.015 1
1 621 . 9 1 1 A 74 74 ASN CA C 56 53.853 54.214 -0.361 1
1 622 . 9 1 1 A 74 74 ASN CB C 56 37.027 36.798 0.229 1
1 624 . 9 1 1 A 75 75 ALA H H 57 7.653 7.616 0.037 1
1 625 . 9 1 1 A 75 75 ALA HA H 57 4.126 4.316 -0.190 1
1 629 . 9 1 1 A 75 75 ALA C C 57 177.848 176.675 1.173 1
1 630 . 9 1 1 A 75 75 ALA CA C 57 51.969 51.698 0.271 1
1 631 . 9 1 1 A 75 75 ALA CB C 57 20.500 20.153 0.347 1
1 632 . 9 1 1 A 75 75 ALA N N 57 119.216 119.643 -0.427 1
1 633 . 9 1 1 A 76 76 LYS H H 58 8.612 8.394 0.218 1
1 634 . 9 1 1 A 76 76 LYS HA H 58 3.999 4.335 -0.336 1
1 643 . 9 1 1 A 76 76 LYS C C 58 176.142 175.599 0.543 1
1 644 . 9 1 1 A 76 76 LYS CA C 58 58.220 56.344 1.876 1
1 645 . 9 1 1 A 76 76 LYS CB C 58 32.673 32.016 0.657 1
1 649 . 9 1 1 A 76 76 LYS N N 58 122.696 118.753 3.943 1
1 650 . 9 1 1 A 77 77 LEU H H 59 8.427 8.487 -0.060 1
1 651 . 9 1 1 A 77 77 LEU HA H 59 4.954 4.871 0.083 1
1 661 . 9 1 1 A 77 77 LEU C C 59 177.712 175.772 1.940 1
1 662 . 9 1 1 A 77 77 LEU CA C 59 52.843 54.145 -1.302 1
1 663 . 9 1 1 A 77 77 LEU CB C 59 43.611 43.009 0.602 1
1 667 . 9 1 1 A 77 77 LEU N N 59 129.775 126.733 3.042 1
1 668 . 9 1 1 A 78 78 CYS H H 60 8.573 8.888 -0.315 1
1 669 . 9 1 1 A 78 78 CYS HA H 60 3.938 4.926 -0.988 1
1 672 . 9 1 1 A 78 78 CYS C C 60 176.265 174.393 1.872 1
1 673 . 9 1 1 A 78 78 CYS CA C 60 61.768 58.476 3.292 1
1 674 . 9 1 1 A 78 78 CYS CB C 60 31.103 28.898 2.205 1
1 675 . 9 1 1 A 78 78 CYS N N 60 126.244 127.088 -0.844 1
1 676 . 9 1 1 A 79 79 ASP H H 61 8.570 8.673 -0.103 1
1 677 . 9 1 1 A 79 79 ASP HA H 61 4.765 4.824 -0.059 1
1 680 . 9 1 1 A 79 79 ASP CA C 61 52.464 52.871 -0.407 1
1 681 . 9 1 1 A 79 79 ASP CB C 61 40.598 40.021 0.577 1
1 682 . 9 1 1 A 79 79 ASP N N 61 123.037 126.733 -3.696 1
1 683 . 9 1 1 A 80 80 PRO HA H 62 4.351 4.476 -0.125 1
1 690 . 9 1 1 A 80 80 PRO C C 62 175.296 176.882 -1.586 1
1 691 . 9 1 1 A 80 80 PRO CA C 62 63.419 63.025 0.394 1
1 692 . 9 1 1 A 80 80 PRO CB C 62 31.963 32.038 -0.075 1
1 695 . 9 1 1 A 81 81 HIS H H 63 8.283 8.342 -0.059 1
1 696 . 9 1 1 A 81 81 HIS HA H 63 4.737 4.776 -0.039 1
1 697 . 9 1 1 A 81 81 HIS CA C 63 54.272 54.560 -0.288 1
1 698 . 9 1 1 A 81 81 HIS N N 63 122.934 118.460 4.474 1
1 1 . 10 1 1 A 20 20 LYS HA H 2 4.205 4.673 -0.468 1
1 8 . 10 1 1 A 20 20 LYS C C 2 176.538 175.915 0.623 1
1 9 . 10 1 1 A 20 20 LYS CA C 2 56.364 55.042 1.322 1
1 10 . 10 1 1 A 20 20 LYS CB C 2 30.708 35.817 -5.109 1
1 13 . 10 1 1 A 21 21 ARG H H 3 8.541 8.921 -0.380 1
1 14 . 10 1 1 A 21 21 ARG N N 3 120.785 124.832 -4.047 1
1 15 . 10 1 1 A 22 22 ALA HA H 4 4.082 4.180 -0.098 1
1 19 . 10 1 1 A 22 22 ALA CA C 4 54.047 54.972 -0.925 1
1 20 . 10 1 1 A 22 22 ALA CB C 4 18.824 18.163 0.661 1
1 21 . 10 1 1 A 23 23 ALA HA H 5 4.177 4.075 0.102 1
1 25 . 10 1 1 A 23 23 ALA C C 5 178.940 179.537 -0.597 1
1 26 . 10 1 1 A 23 23 ALA CA C 5 53.798 54.906 -1.108 1
1 27 . 10 1 1 A 23 23 ALA CB C 5 18.753 18.329 0.424 1
1 28 . 10 1 1 A 24 24 ALA H H 6 7.783 8.023 -0.240 1
1 29 . 10 1 1 A 24 24 ALA HA H 6 4.007 4.118 -0.111 1
1 33 . 10 1 1 A 24 24 ALA C C 6 178.203 179.231 -1.028 1
1 34 . 10 1 1 A 24 24 ALA CA C 6 54.590 55.313 -0.723 1
1 35 . 10 1 1 A 24 24 ALA CB C 6 18.494 18.328 0.166 1
1 36 . 10 1 1 A 24 24 ALA N N 6 121.484 120.578 0.906 1
1 37 . 10 1 1 A 25 25 LYS H H 7 7.921 8.017 -0.096 1
1 38 . 10 1 1 A 25 25 LYS HA H 7 3.723 4.013 -0.290 1
1 47 . 10 1 1 A 25 25 LYS C C 7 178.121 178.952 -0.831 1
1 48 . 10 1 1 A 25 25 LYS CA C 7 59.475 59.792 -0.317 1
1 49 . 10 1 1 A 25 25 LYS CB C 7 32.382 32.513 -0.131 1
1 53 . 10 1 1 A 25 25 LYS N N 7 117.083 118.950 -1.867 1
1 54 . 10 1 1 A 26 26 HIS H H 8 7.810 8.186 -0.376 1
1 55 . 10 1 1 A 26 26 HIS HA H 8 4.327 4.303 0.024 1
1 58 . 10 1 1 A 26 26 HIS C C 8 175.774 177.814 -2.040 1
1 59 . 10 1 1 A 26 26 HIS CA C 8 58.657 58.936 -0.279 1
1 60 . 10 1 1 A 26 26 HIS CB C 8 30.271 30.005 0.266 1
1 61 . 10 1 1 A 26 26 HIS N N 8 117.117 118.414 -1.297 1
1 62 . 10 1 1 A 27 27 LEU H H 9 7.710 8.381 -0.671 1
1 63 . 10 1 1 A 27 27 LEU HA H 9 3.921 3.931 -0.010 1
1 72 . 10 1 1 A 27 27 LEU C C 9 178.585 179.390 -0.805 1
1 73 . 10 1 1 A 27 27 LEU CA C 9 58.002 57.889 0.113 1
1 74 . 10 1 1 A 27 27 LEU CB C 9 42.288 41.607 0.681 1
1 77 . 10 1 1 A 27 27 LEU N N 9 120.717 119.288 1.429 1
1 78 . 10 1 1 A 28 28 ILE H H 10 8.559 8.057 0.502 1
1 79 . 10 1 1 A 28 28 ILE HA H 10 3.656 3.533 0.123 1
1 89 . 10 1 1 A 28 28 ILE C C 10 178.148 177.987 0.161 1
1 90 . 10 1 1 A 28 28 ILE CA C 10 66.845 65.081 1.764 1
1 91 . 10 1 1 A 28 28 ILE CB C 10 37.913 37.437 0.476 1
1 95 . 10 1 1 A 28 28 ILE N N 10 120.086 119.850 0.236 1
1 96 . 10 1 1 A 29 29 GLU H H 11 7.849 8.017 -0.168 1
1 97 . 10 1 1 A 29 29 GLU HA H 11 4.013 4.030 -0.017 1
1 102 . 10 1 1 A 29 29 GLU C C 11 179.376 179.350 0.026 1
1 103 . 10 1 1 A 29 29 GLU CA C 11 59.584 59.565 0.019 1
1 104 . 10 1 1 A 29 29 GLU CB C 11 29.070 28.983 0.087 1
1 106 . 10 1 1 A 29 29 GLU N N 11 118.346 119.120 -0.774 1
1 107 . 10 1 1 A 30 30 ARG H H 12 7.839 7.783 0.056 1
1 108 . 10 1 1 A 30 30 ARG HA H 12 4.064 3.963 0.101 1
1 115 . 10 1 1 A 30 30 ARG C C 12 180.318 178.809 1.509 1
1 116 . 10 1 1 A 30 30 ARG CA C 12 59.585 59.693 -0.108 1
1 117 . 10 1 1 A 30 30 ARG CB C 12 29.234 29.950 -0.716 1
1 120 . 10 1 1 A 30 30 ARG N N 12 120.904 119.710 1.194 1
1 121 . 10 1 1 A 31 31 TYR H H 13 8.545 7.972 0.573 1
1 122 . 10 1 1 A 31 31 TYR HA H 13 4.064 4.285 -0.221 1
1 129 . 10 1 1 A 31 31 TYR C C 13 177.725 178.376 -0.651 1
1 130 . 10 1 1 A 31 31 TYR CA C 13 63.351 60.233 3.118 1
1 131 . 10 1 1 A 31 31 TYR CB C 13 38.623 38.320 0.303 1
1 134 . 10 1 1 A 31 31 TYR N N 13 120.393 120.117 0.276 1
1 135 . 10 1 1 A 32 32 TYR H H 14 8.783 8.323 0.460 1
1 136 . 10 1 1 A 32 32 TYR HA H 14 3.948 4.279 -0.331 1
1 143 . 10 1 1 A 32 32 TYR C C 14 178.599 177.227 1.372 1
1 144 . 10 1 1 A 32 32 TYR CA C 14 62.669 61.791 0.878 1
1 145 . 10 1 1 A 32 32 TYR CB C 14 38.350 38.661 -0.311 1
1 148 . 10 1 1 A 32 32 TYR N N 14 120.342 120.334 0.008 1
1 149 . 10 1 1 A 33 33 HIS H H 15 8.740 8.237 0.503 1
1 150 . 10 1 1 A 33 33 HIS HA H 15 3.906 4.276 -0.370 1
1 153 . 10 1 1 A 33 33 HIS C C 15 177.834 176.715 1.119 1
1 154 . 10 1 1 A 33 33 HIS CA C 15 60.622 60.020 0.602 1
1 155 . 10 1 1 A 33 33 HIS CB C 15 30.599 29.428 1.171 1
1 156 . 10 1 1 A 33 33 HIS N N 15 121.297 119.207 2.090 1
1 157 . 10 1 1 A 34 34 GLN H H 16 8.371 8.000 0.371 1
1 158 . 10 1 1 A 34 34 GLN HA H 16 3.709 3.956 -0.247 1
1 165 . 10 1 1 A 34 34 GLN C C 16 176.238 178.551 -2.313 1
1 166 . 10 1 1 A 34 34 GLN CA C 16 60.185 58.931 1.254 1
1 167 . 10 1 1 A 34 34 GLN CB C 16 30.653 27.961 2.692 1
1 169 . 10 1 1 A 34 34 GLN N N 16 122.576 118.388 4.188 1
1 171 . 10 1 1 A 35 35 LEU H H 17 7.916 7.651 0.265 1
1 172 . 10 1 1 A 35 35 LEU HA H 17 3.978 3.669 0.309 1
1 182 . 10 1 1 A 35 35 LEU C C 17 175.624 178.828 -3.204 1
1 183 . 10 1 1 A 35 35 LEU CA C 17 56.377 57.552 -1.175 1
1 184 . 10 1 1 A 35 35 LEU CB C 17 45.098 42.167 2.931 1
1 188 . 10 1 1 A 35 35 LEU N N 17 116.299 119.609 -3.310 1
1 189 . 10 1 1 A 36 36 THR H H 18 7.148 7.945 -0.797 1
1 190 . 10 1 1 A 36 36 THR HA H 18 4.215 3.944 0.271 1
1 195 . 10 1 1 A 36 36 THR C C 18 174.709 177.173 -2.464 1
1 196 . 10 1 1 A 36 36 THR CA C 18 61.522 65.022 -3.500 1
1 197 . 10 1 1 A 36 36 THR CB C 18 70.434 68.133 2.301 1
1 199 . 10 1 1 A 36 36 THR N N 18 105.023 110.099 -5.076 1
1 200 . 10 1 1 A 37 37 GLU H H 19 8.234 7.538 0.696 1
1 201 . 10 1 1 A 37 37 GLU HA H 19 4.187 4.056 0.131 1
1 206 . 10 1 1 A 37 37 GLU C C 19 177.657 177.347 0.310 1
1 207 . 10 1 1 A 37 37 GLU CA C 19 56.855 56.752 0.103 1
1 208 . 10 1 1 A 37 37 GLU CB C 19 30.872 29.673 1.199 1
1 210 . 10 1 1 A 37 37 GLU N N 19 122.559 120.496 2.063 1
1 211 . 10 1 1 A 38 38 GLY H H 20 7.485 7.775 -0.290 1
1 212 . 10 1 1 A 38 38 GLY HA2 H 20 4.586 3.872 0.714 1
1 213 . 10 1 1 A 38 38 GLY HA3 H 20 4.358 3.908 0.450 1
1 214 . 10 1 1 A 38 38 GLY C C 20 172.976 174.386 -1.410 1
1 215 . 10 1 1 A 38 38 GLY CA C 20 44.177 45.589 -1.412 1
1 216 . 10 1 1 A 38 38 GLY N N 20 107.019 106.663 0.356 1
1 217 . 10 1 1 A 39 39 CYS H H 21 7.410 8.311 -0.901 1
1 218 . 10 1 1 A 39 39 CYS HA H 21 4.498 4.684 -0.186 1
1 221 . 10 1 1 A 39 39 CYS C C 21 176.865 176.019 0.846 1
1 222 . 10 1 1 A 39 39 CYS CA C 21 58.493 58.439 0.054 1
1 223 . 10 1 1 A 39 39 CYS CB C 21 31.636 29.404 2.232 1
1 224 . 10 1 1 A 39 39 CYS N N 21 118.260 122.717 -4.457 1
1 225 . 10 1 1 A 40 40 GLY H H 22 8.670 8.229 0.441 1
1 226 . 10 1 1 A 40 40 GLY HA2 H 22 4.260 3.959 0.301 1
1 227 . 10 1 1 A 40 40 GLY HA3 H 22 3.505 3.966 -0.461 1
1 228 . 10 1 1 A 40 40 GLY C C 22 173.618 174.325 -0.707 1
1 229 . 10 1 1 A 40 40 GLY CA C 22 45.188 45.180 0.008 1
1 230 . 10 1 1 A 40 40 GLY N N 22 112.324 110.883 1.441 1
1 231 . 10 1 1 A 41 41 ASN H H 23 8.379 7.995 0.384 1
1 232 . 10 1 1 A 41 41 ASN HA H 23 4.452 4.620 -0.168 1
1 237 . 10 1 1 A 41 41 ASN C C 23 175.132 176.833 -1.701 1
1 238 . 10 1 1 A 41 41 ASN CA C 23 52.106 53.881 -1.775 1
1 239 . 10 1 1 A 41 41 ASN CB C 23 38.678 39.404 -0.726 1
1 240 . 10 1 1 A 41 41 ASN N N 23 122.184 119.803 2.381 1
1 242 . 10 1 1 A 42 42 GLU H H 24 8.769 8.874 -0.105 1
1 243 . 10 1 1 A 42 42 GLU HA H 24 4.167 4.057 0.110 1
1 248 . 10 1 1 A 42 42 GLU C C 24 175.801 177.069 -1.268 1
1 249 . 10 1 1 A 42 42 GLU CA C 24 57.947 59.362 -1.415 1
1 250 . 10 1 1 A 42 42 GLU CB C 24 29.016 28.945 0.071 1
1 252 . 10 1 1 A 42 42 GLU N N 24 124.589 126.112 -1.523 1
1 253 . 10 1 1 A 43 43 ALA H H 25 7.839 7.612 0.227 1
1 254 . 10 1 1 A 43 43 ALA HA H 25 4.381 4.455 -0.074 1
1 258 . 10 1 1 A 43 43 ALA C C 25 175.842 176.973 -1.131 1
1 259 . 10 1 1 A 43 43 ALA CA C 25 50.319 51.538 -1.219 1
1 260 . 10 1 1 A 43 43 ALA CB C 25 18.563 18.473 0.090 1
1 261 . 10 1 1 A 43 43 ALA N N 25 121.706 120.232 1.474 1
1 262 . 10 1 1 A 44 44 CYS H H 26 7.350 7.668 -0.318 1
1 263 . 10 1 1 A 44 44 CYS HA H 26 3.757 4.642 -0.885 1
1 266 . 10 1 1 A 44 44 CYS C C 26 176.019 176.290 -0.271 1
1 267 . 10 1 1 A 44 44 CYS CA C 26 62.696 59.253 3.443 1
1 268 . 10 1 1 A 44 44 CYS CB C 26 29.671 28.281 1.390 1
1 269 . 10 1 1 A 44 44 CYS N N 26 124.265 118.277 5.988 1
1 270 . 10 1 1 A 45 45 THR H H 27 7.872 8.683 -0.811 1
1 271 . 10 1 1 A 45 45 THR HA H 27 4.511 4.475 0.036 1
1 276 . 10 1 1 A 45 45 THR C C 27 174.969 173.552 1.417 1
1 277 . 10 1 1 A 45 45 THR CA C 27 61.113 61.635 -0.522 1
1 278 . 10 1 1 A 45 45 THR CB C 27 69.834 68.419 1.415 1
1 280 . 10 1 1 A 45 45 THR N N 27 115.292 117.984 -2.692 1
1 281 . 10 1 1 A 46 46 ASN H H 28 9.336 7.635 1.701 1
1 282 . 10 1 1 A 46 46 ASN HA H 28 4.430 5.009 -0.579 1
1 287 . 10 1 1 A 46 46 ASN C C 28 174.273 175.099 -0.826 1
1 288 . 10 1 1 A 46 46 ASN CA C 28 53.144 52.373 0.771 1
1 289 . 10 1 1 A 46 46 ASN CB C 28 38.500 40.053 -1.553 1
1 290 . 10 1 1 A 46 46 ASN N N 28 127.779 120.553 7.226 1
1 292 . 10 1 1 A 47 47 GLU H H 29 8.499 9.026 -0.527 1
1 293 . 10 1 1 A 47 47 GLU HA H 29 4.006 4.338 -0.332 1
1 298 . 10 1 1 A 47 47 GLU C C 29 175.815 176.954 -1.139 1
1 299 . 10 1 1 A 47 47 GLU CA C 29 58.111 58.492 -0.381 1
1 300 . 10 1 1 A 47 47 GLU CB C 29 29.070 28.844 0.226 1
1 302 . 10 1 1 A 47 47 GLU N N 29 123.804 125.604 -1.800 1
1 303 . 10 1 1 A 48 48 PHE H H 30 7.423 7.489 -0.066 1
1 304 . 10 1 1 A 48 48 PHE HA H 30 4.860 4.836 0.024 1
1 311 . 10 1 1 A 48 48 PHE C C 30 171.980 174.614 -2.634 1
1 312 . 10 1 1 A 48 48 PHE CA C 30 56.336 57.308 -0.972 1
1 313 . 10 1 1 A 48 48 PHE CB C 30 38.132 37.924 0.208 1
1 316 . 10 1 1 A 48 48 PHE N N 30 117.186 118.361 -1.175 1
1 317 . 10 1 1 A 49 49 CYS H H 31 7.420 7.652 -0.232 1
1 318 . 10 1 1 A 49 49 CYS HA H 31 4.264 4.856 -0.592 1
1 321 . 10 1 1 A 49 49 CYS C C 31 174.436 172.861 1.575 1
1 322 . 10 1 1 A 49 49 CYS CA C 31 57.047 57.514 -0.467 1
1 323 . 10 1 1 A 49 49 CYS CB C 31 33.492 31.190 2.302 1
1 324 . 10 1 1 A 49 49 CYS N N 31 121.843 118.511 3.332 1
1 325 . 10 1 1 A 50 50 ALA H H 32 7.949 8.131 -0.182 1
1 326 . 10 1 1 A 50 50 ALA HA H 32 2.992 3.844 -0.852 1
1 330 . 10 1 1 A 50 50 ALA C C 32 178.762 178.053 0.709 1
1 331 . 10 1 1 A 50 50 ALA CA C 32 53.007 52.079 0.928 1
1 332 . 10 1 1 A 50 50 ALA CB C 32 17.007 19.318 -2.311 1
1 333 . 10 1 1 A 50 50 ALA N N 32 128.103 127.646 0.457 1
1 334 . 10 1 1 A 51 51 SER H H 33 9.507 8.780 0.727 1
1 335 . 10 1 1 A 51 51 SER HA H 33 4.299 4.084 0.215 1
1 338 . 10 1 1 A 51 51 SER C C 33 173.399 173.597 -0.198 1
1 339 . 10 1 1 A 51 51 SER CA C 33 60.840 60.522 0.318 1
1 340 . 10 1 1 A 51 51 SER CB C 33 63.679 61.791 1.888 1
1 341 . 10 1 1 A 51 51 SER N N 33 119.062 111.779 7.283 1
1 342 . 10 1 1 A 52 52 CYS H H 34 7.978 7.381 0.597 1
1 343 . 10 1 1 A 52 52 CYS HA H 34 4.652 4.719 -0.067 1
1 346 . 10 1 1 A 52 52 CYS CA C 34 55.835 57.844 -2.009 1
1 347 . 10 1 1 A 52 52 CYS CB C 34 27.879 28.419 -0.540 1
1 348 . 10 1 1 A 52 52 CYS N N 34 124.589 119.756 4.833 1
1 349 . 10 1 1 A 53 53 PRO HA H 35 4.393 4.504 -0.111 1
1 356 . 10 1 1 A 53 53 PRO C C 35 177.889 177.222 0.667 1
1 357 . 10 1 1 A 53 53 PRO CA C 35 65.180 64.157 1.023 1
1 358 . 10 1 1 A 53 53 PRO CB C 35 32.850 31.763 1.087 1
1 361 . 10 1 1 A 54 54 THR H H 36 7.507 7.691 -0.184 1
1 362 . 10 1 1 A 54 54 THR HA H 36 4.314 4.276 0.038 1
1 367 . 10 1 1 A 54 54 THR C C 36 174.177 174.774 -0.597 1
1 368 . 10 1 1 A 54 54 THR CA C 36 61.195 63.258 -2.063 1
1 369 . 10 1 1 A 54 54 THR CB C 36 68.101 68.902 -0.801 1
1 371 . 10 1 1 A 54 54 THR N N 36 107.002 108.120 -1.118 1
1 372 . 10 1 1 A 55 55 PHE H H 37 7.716 7.831 -0.115 1
1 373 . 10 1 1 A 55 55 PHE HA H 37 4.204 4.844 -0.640 1
1 380 . 10 1 1 A 55 55 PHE C C 37 175.228 174.022 1.206 1
1 381 . 10 1 1 A 55 55 PHE CA C 37 58.875 56.934 1.941 1
1 382 . 10 1 1 A 55 55 PHE CB C 37 40.942 39.582 1.360 1
1 385 . 10 1 1 A 55 55 PHE N N 37 124.794 123.834 0.960 1
1 386 . 10 1 1 A 56 56 LEU H H 38 7.490 8.619 -1.129 1
1 387 . 10 1 1 A 56 56 LEU HA H 38 4.310 4.660 -0.350 1
1 397 . 10 1 1 A 56 56 LEU C C 38 174.300 176.745 -2.445 1
1 398 . 10 1 1 A 56 56 LEU CA C 38 53.416 54.216 -0.800 1
1 399 . 10 1 1 A 56 56 LEU CB C 38 41.386 43.934 -2.548 1
1 403 . 10 1 1 A 56 56 LEU N N 38 130.713 129.583 1.130 1
1 404 . 10 1 1 A 57 57 ARG H H 39 7.930 8.420 -0.490 1
1 405 . 10 1 1 A 57 57 ARG HA H 39 3.994 4.436 -0.442 1
1 412 . 10 1 1 A 57 57 ARG CA C 39 57.374 56.557 0.817 1
1 413 . 10 1 1 A 57 57 ARG CB C 39 30.517 31.375 -0.858 1
1 416 . 10 1 1 A 57 57 ARG N N 39 122.866 125.285 -2.419 1
1 417 . 10 1 1 A 58 58 MET H H 40 8.408 8.776 -0.368 1
1 418 . 10 1 1 A 58 58 MET HA H 40 4.706 5.008 -0.302 1
1 423 . 10 1 1 A 58 58 MET C C 40 175.160 173.966 1.194 1
1 424 . 10 1 1 A 58 58 MET CA C 40 53.908 53.491 0.417 1
1 425 . 10 1 1 A 58 58 MET CB C 40 36.603 36.009 0.594 1
1 427 . 10 1 1 A 58 58 MET N N 40 121.024 118.427 2.597 1
1 428 . 10 1 1 A 59 59 ASP H H 41 8.419 8.827 -0.408 1
1 429 . 10 1 1 A 59 59 ASP HA H 41 4.588 4.936 -0.348 1
1 432 . 10 1 1 A 59 59 ASP CA C 41 53.699 53.505 0.194 1
1 433 . 10 1 1 A 59 59 ASP CB C 41 41.540 41.865 -0.325 1
1 434 . 10 1 1 A 59 59 ASP N N 41 120.478 118.710 1.768 1
1 435 . 10 1 1 A 60 60 ASN HA H 42 4.317 4.504 -0.187 1
1 440 . 10 1 1 A 60 60 ASN C C 42 177.739 177.985 -0.246 1
1 441 . 10 1 1 A 60 60 ASN CA C 42 56.637 55.909 0.728 1
1 442 . 10 1 1 A 60 60 ASN CB C 42 37.586 37.524 0.062 1
1 444 . 10 1 1 A 61 61 ASN H H 43 8.442 7.883 0.559 1
1 445 . 10 1 1 A 61 61 ASN HA H 43 4.450 4.540 -0.090 1
1 448 . 10 1 1 A 61 61 ASN C C 43 177.439 177.620 -0.181 1
1 449 . 10 1 1 A 61 61 ASN CA C 43 56.528 55.917 0.611 1
1 450 . 10 1 1 A 61 61 ASN CB C 43 38.023 38.157 -0.134 1
1 451 . 10 1 1 A 61 61 ASN N N 43 118.960 119.107 -0.147 1
1 452 . 10 1 1 A 62 62 ALA H H 44 8.229 8.218 0.011 1
1 453 . 10 1 1 A 62 62 ALA HA H 44 4.102 4.052 0.050 1
1 457 . 10 1 1 A 62 62 ALA C C 44 180.973 180.062 0.911 1
1 458 . 10 1 1 A 62 62 ALA CA C 44 54.672 54.928 -0.256 1
1 459 . 10 1 1 A 62 62 ALA CB C 44 18.466 18.117 0.349 1
1 460 . 10 1 1 A 62 62 ALA N N 44 123.651 122.784 0.867 1
1 461 . 10 1 1 A 63 63 ALA H H 45 8.779 8.103 0.676 1
1 462 . 10 1 1 A 63 63 ALA HA H 45 4.238 4.114 0.124 1
1 466 . 10 1 1 A 63 63 ALA C C 45 178.680 179.220 -0.540 1
1 467 . 10 1 1 A 63 63 ALA CA C 45 54.945 55.136 -0.191 1
1 468 . 10 1 1 A 63 63 ALA CB C 45 18.685 18.540 0.145 1
1 469 . 10 1 1 A 63 63 ALA N N 45 121.928 120.491 1.437 1
1 470 . 10 1 1 A 64 64 ALA H H 46 8.024 7.880 0.144 1
1 471 . 10 1 1 A 64 64 ALA HA H 46 4.109 4.381 -0.272 1
1 475 . 10 1 1 A 64 64 ALA C C 46 179.731 179.739 -0.008 1
1 476 . 10 1 1 A 64 64 ALA CA C 46 55.873 55.520 0.353 1
1 477 . 10 1 1 A 64 64 ALA CB C 46 17.853 18.503 -0.650 1
1 478 . 10 1 1 A 64 64 ALA N N 46 121.126 121.148 -0.022 1
1 479 . 10 1 1 A 65 65 ILE H H 47 7.220 7.981 -0.761 1
1 480 . 10 1 1 A 65 65 ILE HA H 47 3.740 3.683 0.057 1
1 490 . 10 1 1 A 65 65 ILE C C 47 179.049 178.099 0.950 1
1 491 . 10 1 1 A 65 65 ILE CA C 47 64.061 65.370 -1.309 1
1 492 . 10 1 1 A 65 65 ILE CB C 47 38.528 38.074 0.454 1
1 496 . 10 1 1 A 65 65 ILE N N 47 117.953 118.781 -0.828 1
1 497 . 10 1 1 A 66 66 LYS H H 48 8.363 8.135 0.228 1
1 498 . 10 1 1 A 66 66 LYS HA H 48 4.062 4.057 0.005 1
1 507 . 10 1 1 A 66 66 LYS C C 48 177.739 178.882 -1.143 1
1 508 . 10 1 1 A 66 66 LYS CA C 48 57.074 58.557 -1.483 1
1 509 . 10 1 1 A 66 66 LYS CB C 48 31.472 32.125 -0.653 1
1 513 . 10 1 1 A 66 66 LYS N N 48 121.894 120.803 1.091 1
1 514 . 10 1 1 A 67 67 ALA H H 49 8.730 8.234 0.496 1
1 515 . 10 1 1 A 67 67 ALA HA H 49 3.682 4.215 -0.533 1
1 519 . 10 1 1 A 67 67 ALA C C 49 178.339 180.112 -1.773 1
1 520 . 10 1 1 A 67 67 ALA CA C 49 56.037 55.246 0.791 1
1 521 . 10 1 1 A 67 67 ALA CB C 49 18.126 18.591 -0.465 1
1 522 . 10 1 1 A 67 67 ALA N N 49 121.723 122.292 -0.569 1
1 523 . 10 1 1 A 68 68 LEU H H 50 6.888 7.975 -1.087 1
1 524 . 10 1 1 A 68 68 LEU HA H 50 4.020 4.155 -0.135 1
1 534 . 10 1 1 A 68 68 LEU C C 50 178.776 179.504 -0.728 1
1 535 . 10 1 1 A 68 68 LEU CA C 50 57.892 57.467 0.425 1
1 536 . 10 1 1 A 68 68 LEU CB C 50 41.832 41.491 0.341 1
1 540 . 10 1 1 A 68 68 LEU N N 50 115.156 118.205 -3.049 1
1 541 . 10 1 1 A 69 69 GLU H H 51 7.216 8.017 -0.801 1
1 542 . 10 1 1 A 69 69 GLU HA H 51 3.836 4.037 -0.201 1
1 547 . 10 1 1 A 69 69 GLU C C 51 178.721 179.330 -0.609 1
1 548 . 10 1 1 A 69 69 GLU CA C 51 59.257 59.340 -0.083 1
1 549 . 10 1 1 A 69 69 GLU CB C 51 29.343 29.420 -0.077 1
1 551 . 10 1 1 A 69 69 GLU N N 51 119.727 120.213 -0.486 1
1 552 . 10 1 1 A 70 70 LEU H H 52 8.326 8.145 0.181 1
1 553 . 10 1 1 A 70 70 LEU HA H 52 3.501 3.767 -0.266 1
1 563 . 10 1 1 A 70 70 LEU C C 52 178.421 178.433 -0.012 1
1 564 . 10 1 1 A 70 70 LEU CA C 52 56.814 57.262 -0.448 1
1 565 . 10 1 1 A 70 70 LEU CB C 52 39.497 40.748 -1.251 1
1 569 . 10 1 1 A 70 70 LEU N N 52 117.442 119.229 -1.787 1
1 570 . 10 1 1 A 71 71 TYR H H 53 7.440 7.911 -0.471 1
1 571 . 10 1 1 A 71 71 TYR HA H 53 4.010 3.684 0.326 1
1 578 . 10 1 1 A 71 71 TYR C C 53 177.602 177.840 -0.238 1
1 579 . 10 1 1 A 71 71 TYR CA C 53 60.751 61.376 -0.625 1
1 580 . 10 1 1 A 71 71 TYR CB C 53 38.221 38.656 -0.435 1
1 583 . 10 1 1 A 71 71 TYR N N 53 118.670 119.780 -1.110 1
1 584 . 10 1 1 A 72 72 LYS H H 54 7.720 8.188 -0.468 1
1 585 . 10 1 1 A 72 72 LYS HA H 54 3.543 3.813 -0.270 1
1 594 . 10 1 1 A 72 72 LYS C C 54 178.216 177.466 0.750 1
1 595 . 10 1 1 A 72 72 LYS CA C 54 59.475 58.736 0.739 1
1 596 . 10 1 1 A 72 72 LYS CB C 54 32.400 31.843 0.557 1
1 600 . 10 1 1 A 72 72 LYS N N 54 120.512 117.986 2.526 1
1 601 . 10 1 1 A 73 73 ILE H H 55 7.265 7.192 0.073 1
1 602 . 10 1 1 A 73 73 ILE HA H 55 4.327 4.074 0.253 1
1 610 . 10 1 1 A 73 73 ILE CA C 55 60.625 60.591 0.034 1
1 611 . 10 1 1 A 73 73 ILE CB C 55 38.244 37.806 0.438 1
1 614 . 10 1 1 A 73 73 ILE N N 55 109.032 115.446 -6.414 1
1 615 . 10 1 1 A 74 74 ASN HA H 56 4.225 4.242 -0.017 1
1 620 . 10 1 1 A 74 74 ASN C C 56 174.532 174.418 0.114 1
1 621 . 10 1 1 A 74 74 ASN CA C 56 53.853 54.291 -0.438 1
1 622 . 10 1 1 A 74 74 ASN CB C 56 37.027 36.638 0.389 1
1 624 . 10 1 1 A 75 75 ALA H H 57 7.653 7.541 0.112 1
1 625 . 10 1 1 A 75 75 ALA HA H 57 4.126 4.333 -0.207 1
1 629 . 10 1 1 A 75 75 ALA C C 57 177.848 177.207 0.641 1
1 630 . 10 1 1 A 75 75 ALA CA C 57 51.969 52.203 -0.234 1
1 631 . 10 1 1 A 75 75 ALA CB C 57 20.500 19.887 0.613 1
1 632 . 10 1 1 A 75 75 ALA N N 57 119.216 118.265 0.951 1
1 633 . 10 1 1 A 76 76 LYS H H 58 8.612 8.490 0.122 1
1 634 . 10 1 1 A 76 76 LYS HA H 58 3.999 4.290 -0.291 1
1 643 . 10 1 1 A 76 76 LYS C C 58 176.142 175.785 0.357 1
1 644 . 10 1 1 A 76 76 LYS CA C 58 58.220 56.545 1.675 1
1 645 . 10 1 1 A 76 76 LYS CB C 58 32.673 32.503 0.170 1
1 649 . 10 1 1 A 76 76 LYS N N 58 122.696 119.212 3.484 1
1 650 . 10 1 1 A 77 77 LEU H H 59 8.427 8.809 -0.382 1
1 651 . 10 1 1 A 77 77 LEU HA H 59 4.954 4.855 0.099 1
1 661 . 10 1 1 A 77 77 LEU C C 59 177.712 176.055 1.657 1
1 662 . 10 1 1 A 77 77 LEU CA C 59 52.843 54.740 -1.897 1
1 663 . 10 1 1 A 77 77 LEU CB C 59 43.611 43.624 -0.013 1
1 667 . 10 1 1 A 77 77 LEU N N 59 129.775 126.410 3.365 1
1 668 . 10 1 1 A 78 78 CYS H H 60 8.573 8.876 -0.303 1
1 669 . 10 1 1 A 78 78 CYS HA H 60 3.938 4.904 -0.966 1
1 672 . 10 1 1 A 78 78 CYS C C 60 176.265 173.161 3.104 1
1 673 . 10 1 1 A 78 78 CYS CA C 60 61.768 57.401 4.367 1
1 674 . 10 1 1 A 78 78 CYS CB C 60 31.103 28.224 2.879 1
1 675 . 10 1 1 A 78 78 CYS N N 60 126.244 126.295 -0.051 1
1 676 . 10 1 1 A 79 79 ASP H H 61 8.570 8.952 -0.382 1
1 677 . 10 1 1 A 79 79 ASP HA H 61 4.765 4.994 -0.229 1
1 680 . 10 1 1 A 79 79 ASP CA C 61 52.464 50.442 2.022 1
1 681 . 10 1 1 A 79 79 ASP CB C 61 40.598 43.324 -2.726 1
1 682 . 10 1 1 A 79 79 ASP N N 61 123.037 128.671 -5.634 1
1 683 . 10 1 1 A 80 80 PRO HA H 62 4.351 4.423 -0.072 1
1 690 . 10 1 1 A 80 80 PRO C C 62 175.296 177.201 -1.905 1
1 691 . 10 1 1 A 80 80 PRO CA C 62 63.419 63.156 0.263 1
1 692 . 10 1 1 A 80 80 PRO CB C 62 31.963 31.573 0.390 1
1 695 . 10 1 1 A 81 81 HIS H H 63 8.283 8.199 0.084 1
1 696 . 10 1 1 A 81 81 HIS HA H 63 4.737 4.730 0.007 1
1 697 . 10 1 1 A 81 81 HIS CA C 63 54.272 55.197 -0.925 1
1 698 . 10 1 1 A 81 81 HIS N N 63 122.934 121.259 1.675 1
1 1 . 11 1 1 A 20 20 LYS HA H 2 4.205 4.245 -0.040 1
1 8 . 11 1 1 A 20 20 LYS C C 2 176.538 175.844 0.694 1
1 9 . 11 1 1 A 20 20 LYS CA C 2 56.364 56.308 0.056 1
1 10 . 11 1 1 A 20 20 LYS CB C 2 30.708 32.849 -2.141 1
1 13 . 11 1 1 A 21 21 ARG H H 3 8.541 8.357 0.184 1
1 14 . 11 1 1 A 21 21 ARG N N 3 120.785 127.837 -7.052 1
1 15 . 11 1 1 A 22 22 ALA HA H 4 4.082 4.038 0.044 1
1 19 . 11 1 1 A 22 22 ALA CA C 4 54.047 55.176 -1.129 1
1 20 . 11 1 1 A 22 22 ALA CB C 4 18.824 17.914 0.910 1
1 21 . 11 1 1 A 23 23 ALA HA H 5 4.177 4.004 0.173 1
1 25 . 11 1 1 A 23 23 ALA C C 5 178.940 179.473 -0.533 1
1 26 . 11 1 1 A 23 23 ALA CA C 5 53.798 54.963 -1.165 1
1 27 . 11 1 1 A 23 23 ALA CB C 5 18.753 18.397 0.356 1
1 28 . 11 1 1 A 24 24 ALA H H 6 7.783 8.091 -0.308 1
1 29 . 11 1 1 A 24 24 ALA HA H 6 4.007 4.189 -0.182 1
1 33 . 11 1 1 A 24 24 ALA C C 6 178.203 179.136 -0.933 1
1 34 . 11 1 1 A 24 24 ALA CA C 6 54.590 55.538 -0.948 1
1 35 . 11 1 1 A 24 24 ALA CB C 6 18.494 18.282 0.212 1
1 36 . 11 1 1 A 24 24 ALA N N 6 121.484 120.864 0.620 1
1 37 . 11 1 1 A 25 25 LYS H H 7 7.921 8.021 -0.100 1
1 38 . 11 1 1 A 25 25 LYS HA H 7 3.723 4.083 -0.360 1
1 47 . 11 1 1 A 25 25 LYS C C 7 178.121 179.056 -0.935 1
1 48 . 11 1 1 A 25 25 LYS CA C 7 59.475 59.754 -0.279 1
1 49 . 11 1 1 A 25 25 LYS CB C 7 32.382 31.964 0.418 1
1 53 . 11 1 1 A 25 25 LYS N N 7 117.083 118.971 -1.888 1
1 54 . 11 1 1 A 26 26 HIS H H 8 7.810 7.776 0.034 1
1 55 . 11 1 1 A 26 26 HIS HA H 8 4.327 4.386 -0.059 1
1 58 . 11 1 1 A 26 26 HIS C C 8 175.774 178.019 -2.245 1
1 59 . 11 1 1 A 26 26 HIS CA C 8 58.657 59.969 -1.312 1
1 60 . 11 1 1 A 26 26 HIS CB C 8 30.271 30.669 -0.398 1
1 61 . 11 1 1 A 26 26 HIS N N 8 117.117 118.060 -0.943 1
1 62 . 11 1 1 A 27 27 LEU H H 9 7.710 8.396 -0.686 1
1 63 . 11 1 1 A 27 27 LEU HA H 9 3.921 3.980 -0.059 1
1 72 . 11 1 1 A 27 27 LEU C C 9 178.585 179.646 -1.061 1
1 73 . 11 1 1 A 27 27 LEU CA C 9 58.002 58.164 -0.162 1
1 74 . 11 1 1 A 27 27 LEU CB C 9 42.288 41.946 0.342 1
1 77 . 11 1 1 A 27 27 LEU N N 9 120.717 119.322 1.395 1
1 78 . 11 1 1 A 28 28 ILE H H 10 8.559 8.249 0.310 1
1 79 . 11 1 1 A 28 28 ILE HA H 10 3.656 3.648 0.008 1
1 89 . 11 1 1 A 28 28 ILE C C 10 178.148 178.279 -0.131 1
1 90 . 11 1 1 A 28 28 ILE CA C 10 66.845 65.150 1.695 1
1 91 . 11 1 1 A 28 28 ILE CB C 10 37.913 37.328 0.585 1
1 95 . 11 1 1 A 28 28 ILE N N 10 120.086 120.133 -0.047 1
1 96 . 11 1 1 A 29 29 GLU H H 11 7.849 7.952 -0.103 1
1 97 . 11 1 1 A 29 29 GLU HA H 11 4.013 3.867 0.146 1
1 102 . 11 1 1 A 29 29 GLU C C 11 179.376 178.938 0.438 1
1 103 . 11 1 1 A 29 29 GLU CA C 11 59.584 59.205 0.379 1
1 104 . 11 1 1 A 29 29 GLU CB C 11 29.070 28.999 0.071 1
1 106 . 11 1 1 A 29 29 GLU N N 11 118.346 121.686 -3.340 1
1 107 . 11 1 1 A 30 30 ARG H H 12 7.839 7.685 0.154 1
1 108 . 11 1 1 A 30 30 ARG HA H 12 4.064 3.994 0.070 1
1 115 . 11 1 1 A 30 30 ARG C C 12 180.318 178.634 1.684 1
1 116 . 11 1 1 A 30 30 ARG CA C 12 59.585 59.629 -0.044 1
1 117 . 11 1 1 A 30 30 ARG CB C 12 29.234 30.030 -0.796 1
1 120 . 11 1 1 A 30 30 ARG N N 12 120.904 119.186 1.718 1
1 121 . 11 1 1 A 31 31 TYR H H 13 8.545 8.388 0.157 1
1 122 . 11 1 1 A 31 31 TYR HA H 13 4.064 4.331 -0.267 1
1 129 . 11 1 1 A 31 31 TYR C C 13 177.725 178.819 -1.094 1
1 130 . 11 1 1 A 31 31 TYR CA C 13 63.351 59.671 3.680 1
1 131 . 11 1 1 A 31 31 TYR CB C 13 38.623 37.789 0.834 1
1 134 . 11 1 1 A 31 31 TYR N N 13 120.393 119.608 0.785 1
1 135 . 11 1 1 A 32 32 TYR H H 14 8.783 8.350 0.433 1
1 136 . 11 1 1 A 32 32 TYR HA H 14 3.948 4.185 -0.237 1
1 143 . 11 1 1 A 32 32 TYR C C 14 178.599 177.544 1.055 1
1 144 . 11 1 1 A 32 32 TYR CA C 14 62.669 62.033 0.636 1
1 145 . 11 1 1 A 32 32 TYR CB C 14 38.350 38.508 -0.158 1
1 148 . 11 1 1 A 32 32 TYR N N 14 120.342 120.325 0.017 1
1 149 . 11 1 1 A 33 33 HIS H H 15 8.740 8.148 0.592 1
1 150 . 11 1 1 A 33 33 HIS HA H 15 3.906 4.418 -0.512 1
1 153 . 11 1 1 A 33 33 HIS C C 15 177.834 177.375 0.459 1
1 154 . 11 1 1 A 33 33 HIS CA C 15 60.622 58.936 1.686 1
1 155 . 11 1 1 A 33 33 HIS CB C 15 30.599 29.246 1.353 1
1 156 . 11 1 1 A 33 33 HIS N N 15 121.297 118.033 3.264 1
1 157 . 11 1 1 A 34 34 GLN H H 16 8.371 8.174 0.197 1
1 158 . 11 1 1 A 34 34 GLN HA H 16 3.709 4.054 -0.345 1
1 165 . 11 1 1 A 34 34 GLN C C 16 176.238 178.153 -1.915 1
1 166 . 11 1 1 A 34 34 GLN CA C 16 60.185 58.540 1.645 1
1 167 . 11 1 1 A 34 34 GLN CB C 16 30.653 28.504 2.149 1
1 169 . 11 1 1 A 34 34 GLN N N 16 122.576 120.202 2.374 1
1 171 . 11 1 1 A 35 35 LEU H H 17 7.916 7.854 0.062 1
1 172 . 11 1 1 A 35 35 LEU HA H 17 3.978 4.039 -0.061 1
1 182 . 11 1 1 A 35 35 LEU C C 17 175.624 179.028 -3.404 1
1 183 . 11 1 1 A 35 35 LEU CA C 17 56.377 57.191 -0.814 1
1 184 . 11 1 1 A 35 35 LEU CB C 17 45.098 41.785 3.313 1
1 188 . 11 1 1 A 35 35 LEU N N 17 116.299 119.316 -3.017 1
1 189 . 11 1 1 A 36 36 THR H H 18 7.148 7.705 -0.557 1
1 190 . 11 1 1 A 36 36 THR HA H 18 4.215 4.090 0.125 1
1 195 . 11 1 1 A 36 36 THR C C 18 174.709 176.953 -2.244 1
1 196 . 11 1 1 A 36 36 THR CA C 18 61.522 65.028 -3.506 1
1 197 . 11 1 1 A 36 36 THR CB C 18 70.434 68.591 1.843 1
1 199 . 11 1 1 A 36 36 THR N N 18 105.023 111.257 -6.234 1
1 200 . 11 1 1 A 37 37 GLU H H 19 8.234 7.955 0.279 1
1 201 . 11 1 1 A 37 37 GLU HA H 19 4.187 4.264 -0.077 1
1 206 . 11 1 1 A 37 37 GLU C C 19 177.657 177.382 0.275 1
1 207 . 11 1 1 A 37 37 GLU CA C 19 56.855 56.577 0.278 1
1 208 . 11 1 1 A 37 37 GLU CB C 19 30.872 30.542 0.330 1
1 210 . 11 1 1 A 37 37 GLU N N 19 122.559 120.228 2.331 1
1 211 . 11 1 1 A 38 38 GLY H H 20 7.485 7.923 -0.438 1
1 212 . 11 1 1 A 38 38 GLY HA2 H 20 4.586 3.879 0.707 1
1 213 . 11 1 1 A 38 38 GLY HA3 H 20 4.358 3.891 0.467 1
1 214 . 11 1 1 A 38 38 GLY C C 20 172.976 174.435 -1.459 1
1 215 . 11 1 1 A 38 38 GLY CA C 20 44.177 46.069 -1.892 1
1 216 . 11 1 1 A 38 38 GLY N N 20 107.019 106.599 0.420 1
1 217 . 11 1 1 A 39 39 CYS H H 21 7.410 8.160 -0.750 1
1 218 . 11 1 1 A 39 39 CYS HA H 21 4.498 4.600 -0.102 1
1 221 . 11 1 1 A 39 39 CYS C C 21 176.865 175.585 1.280 1
1 222 . 11 1 1 A 39 39 CYS CA C 21 58.493 58.275 0.218 1
1 223 . 11 1 1 A 39 39 CYS CB C 21 31.636 29.061 2.575 1
1 224 . 11 1 1 A 39 39 CYS N N 21 118.260 122.548 -4.288 1
1 225 . 11 1 1 A 40 40 GLY H H 22 8.670 8.172 0.498 1
1 226 . 11 1 1 A 40 40 GLY HA2 H 22 4.260 3.918 0.342 1
1 227 . 11 1 1 A 40 40 GLY HA3 H 22 3.505 3.923 -0.418 1
1 228 . 11 1 1 A 40 40 GLY C C 22 173.618 174.324 -0.706 1
1 229 . 11 1 1 A 40 40 GLY CA C 22 45.188 45.523 -0.335 1
1 230 . 11 1 1 A 40 40 GLY N N 22 112.324 109.926 2.398 1
1 231 . 11 1 1 A 41 41 ASN H H 23 8.379 7.724 0.655 1
1 232 . 11 1 1 A 41 41 ASN HA H 23 4.452 4.603 -0.151 1
1 237 . 11 1 1 A 41 41 ASN C C 23 175.132 176.501 -1.369 1
1 238 . 11 1 1 A 41 41 ASN CA C 23 52.106 53.984 -1.878 1
1 239 . 11 1 1 A 41 41 ASN CB C 23 38.678 39.227 -0.549 1
1 240 . 11 1 1 A 41 41 ASN N N 23 122.184 120.281 1.903 1
1 242 . 11 1 1 A 42 42 GLU H H 24 8.769 8.673 0.096 1
1 243 . 11 1 1 A 42 42 GLU HA H 24 4.167 4.091 0.076 1
1 248 . 11 1 1 A 42 42 GLU C C 24 175.801 177.192 -1.391 1
1 249 . 11 1 1 A 42 42 GLU CA C 24 57.947 59.112 -1.165 1
1 250 . 11 1 1 A 42 42 GLU CB C 24 29.016 29.335 -0.319 1
1 252 . 11 1 1 A 42 42 GLU N N 24 124.589 125.625 -1.036 1
1 253 . 11 1 1 A 43 43 ALA H H 25 7.839 7.459 0.380 1
1 254 . 11 1 1 A 43 43 ALA HA H 25 4.381 4.395 -0.014 1
1 258 . 11 1 1 A 43 43 ALA C C 25 175.842 176.132 -0.290 1
1 259 . 11 1 1 A 43 43 ALA CA C 25 50.319 51.617 -1.298 1
1 260 . 11 1 1 A 43 43 ALA CB C 25 18.563 17.513 1.050 1
1 261 . 11 1 1 A 43 43 ALA N N 25 121.706 120.583 1.123 1
1 262 . 11 1 1 A 44 44 CYS H H 26 7.350 7.995 -0.645 1
1 263 . 11 1 1 A 44 44 CYS HA H 26 3.757 4.908 -1.151 1
1 266 . 11 1 1 A 44 44 CYS C C 26 176.019 175.801 0.218 1
1 267 . 11 1 1 A 44 44 CYS CA C 26 62.696 57.584 5.112 1
1 268 . 11 1 1 A 44 44 CYS CB C 26 29.671 29.892 -0.221 1
1 269 . 11 1 1 A 44 44 CYS N N 26 124.265 119.123 5.142 1
1 270 . 11 1 1 A 45 45 THR H H 27 7.872 8.790 -0.918 1
1 271 . 11 1 1 A 45 45 THR HA H 27 4.511 4.433 0.078 1
1 276 . 11 1 1 A 45 45 THR C C 27 174.969 173.541 1.428 1
1 277 . 11 1 1 A 45 45 THR CA C 27 61.113 61.365 -0.252 1
1 278 . 11 1 1 A 45 45 THR CB C 27 69.834 68.155 1.679 1
1 280 . 11 1 1 A 45 45 THR N N 27 115.292 116.929 -1.637 1
1 281 . 11 1 1 A 46 46 ASN H H 28 9.336 7.750 1.586 1
1 282 . 11 1 1 A 46 46 ASN HA H 28 4.430 4.924 -0.494 1
1 287 . 11 1 1 A 46 46 ASN C C 28 174.273 174.973 -0.700 1
1 288 . 11 1 1 A 46 46 ASN CA C 28 53.144 53.081 0.063 1
1 289 . 11 1 1 A 46 46 ASN CB C 28 38.500 40.198 -1.698 1
1 290 . 11 1 1 A 46 46 ASN N N 28 127.779 119.761 8.018 1
1 292 . 11 1 1 A 47 47 GLU H H 29 8.499 9.083 -0.584 1
1 293 . 11 1 1 A 47 47 GLU HA H 29 4.006 4.351 -0.345 1
1 298 . 11 1 1 A 47 47 GLU C C 29 175.815 176.899 -1.084 1
1 299 . 11 1 1 A 47 47 GLU CA C 29 58.111 58.493 -0.382 1
1 300 . 11 1 1 A 47 47 GLU CB C 29 29.070 29.253 -0.183 1
1 302 . 11 1 1 A 47 47 GLU N N 29 123.804 124.952 -1.148 1
1 303 . 11 1 1 A 48 48 PHE H H 30 7.423 7.425 -0.002 1
1 304 . 11 1 1 A 48 48 PHE HA H 30 4.860 4.821 0.039 1
1 311 . 11 1 1 A 48 48 PHE C C 30 171.980 174.553 -2.573 1
1 312 . 11 1 1 A 48 48 PHE CA C 30 56.336 56.445 -0.109 1
1 313 . 11 1 1 A 48 48 PHE CB C 30 38.132 36.831 1.301 1
1 316 . 11 1 1 A 48 48 PHE N N 30 117.186 118.078 -0.892 1
1 317 . 11 1 1 A 49 49 CYS H H 31 7.420 7.661 -0.241 1
1 318 . 11 1 1 A 49 49 CYS HA H 31 4.264 4.760 -0.496 1
1 321 . 11 1 1 A 49 49 CYS C C 31 174.436 173.001 1.435 1
1 322 . 11 1 1 A 49 49 CYS CA C 31 57.047 57.580 -0.533 1
1 323 . 11 1 1 A 49 49 CYS CB C 31 33.492 31.143 2.349 1
1 324 . 11 1 1 A 49 49 CYS N N 31 121.843 119.508 2.335 1
1 325 . 11 1 1 A 50 50 ALA H H 32 7.949 8.260 -0.311 1
1 326 . 11 1 1 A 50 50 ALA HA H 32 2.992 3.335 -0.343 1
1 330 . 11 1 1 A 50 50 ALA C C 32 178.762 178.052 0.710 1
1 331 . 11 1 1 A 50 50 ALA CA C 32 53.007 51.586 1.421 1
1 332 . 11 1 1 A 50 50 ALA CB C 32 17.007 19.399 -2.392 1
1 333 . 11 1 1 A 50 50 ALA N N 32 128.103 127.904 0.199 1
1 334 . 11 1 1 A 51 51 SER H H 33 9.507 8.831 0.676 1
1 335 . 11 1 1 A 51 51 SER HA H 33 4.299 4.155 0.144 1
1 338 . 11 1 1 A 51 51 SER C C 33 173.399 172.768 0.631 1
1 339 . 11 1 1 A 51 51 SER CA C 33 60.840 59.647 1.193 1
1 340 . 11 1 1 A 51 51 SER CB C 33 63.679 62.727 0.952 1
1 341 . 11 1 1 A 51 51 SER N N 33 119.062 114.460 4.602 1
1 342 . 11 1 1 A 52 52 CYS H H 34 7.978 7.720 0.258 1
1 343 . 11 1 1 A 52 52 CYS HA H 34 4.652 4.740 -0.088 1
1 346 . 11 1 1 A 52 52 CYS CA C 34 55.835 57.591 -1.756 1
1 347 . 11 1 1 A 52 52 CYS CB C 34 27.879 28.247 -0.368 1
1 348 . 11 1 1 A 52 52 CYS N N 34 124.589 120.794 3.795 1
1 349 . 11 1 1 A 53 53 PRO HA H 35 4.393 4.481 -0.088 1
1 356 . 11 1 1 A 53 53 PRO C C 35 177.889 177.347 0.542 1
1 357 . 11 1 1 A 53 53 PRO CA C 35 65.180 64.357 0.823 1
1 358 . 11 1 1 A 53 53 PRO CB C 35 32.850 32.015 0.835 1
1 361 . 11 1 1 A 54 54 THR H H 36 7.507 7.658 -0.151 1
1 362 . 11 1 1 A 54 54 THR HA H 36 4.314 4.307 0.007 1
1 367 . 11 1 1 A 54 54 THR C C 36 174.177 174.909 -0.732 1
1 368 . 11 1 1 A 54 54 THR CA C 36 61.195 62.269 -1.074 1
1 369 . 11 1 1 A 54 54 THR CB C 36 68.101 69.325 -1.224 1
1 371 . 11 1 1 A 54 54 THR N N 36 107.002 107.932 -0.930 1
1 372 . 11 1 1 A 55 55 PHE H H 37 7.716 7.577 0.139 1
1 373 . 11 1 1 A 55 55 PHE HA H 37 4.204 4.555 -0.351 1
1 380 . 11 1 1 A 55 55 PHE C C 37 175.228 174.906 0.322 1
1 381 . 11 1 1 A 55 55 PHE CA C 37 58.875 58.852 0.023 1
1 382 . 11 1 1 A 55 55 PHE CB C 37 40.942 40.164 0.778 1
1 385 . 11 1 1 A 55 55 PHE N N 37 124.794 124.271 0.523 1
1 386 . 11 1 1 A 56 56 LEU H H 38 7.490 7.847 -0.357 1
1 387 . 11 1 1 A 56 56 LEU HA H 38 4.310 4.801 -0.491 1
1 397 . 11 1 1 A 56 56 LEU C C 38 174.300 175.321 -1.021 1
1 398 . 11 1 1 A 56 56 LEU CA C 38 53.416 53.375 0.041 1
1 399 . 11 1 1 A 56 56 LEU CB C 38 41.386 45.581 -4.195 1
1 403 . 11 1 1 A 56 56 LEU N N 38 130.713 126.974 3.739 1
1 404 . 11 1 1 A 57 57 ARG H H 39 7.930 8.457 -0.527 1
1 405 . 11 1 1 A 57 57 ARG HA H 39 3.994 4.482 -0.488 1
1 412 . 11 1 1 A 57 57 ARG CA C 39 57.374 57.069 0.305 1
1 413 . 11 1 1 A 57 57 ARG CB C 39 30.517 31.145 -0.628 1
1 416 . 11 1 1 A 57 57 ARG N N 39 122.866 125.805 -2.939 1
1 417 . 11 1 1 A 58 58 MET H H 40 8.408 8.790 -0.382 1
1 418 . 11 1 1 A 58 58 MET HA H 40 4.706 5.011 -0.305 1
1 423 . 11 1 1 A 58 58 MET C C 40 175.160 174.647 0.513 1
1 424 . 11 1 1 A 58 58 MET CA C 40 53.908 54.047 -0.139 1
1 425 . 11 1 1 A 58 58 MET CB C 40 36.603 35.826 0.777 1
1 427 . 11 1 1 A 58 58 MET N N 40 121.024 118.882 2.142 1
1 428 . 11 1 1 A 59 59 ASP H H 41 8.419 8.729 -0.310 1
1 429 . 11 1 1 A 59 59 ASP HA H 41 4.588 4.705 -0.117 1
1 432 . 11 1 1 A 59 59 ASP CA C 41 53.699 54.492 -0.793 1
1 433 . 11 1 1 A 59 59 ASP CB C 41 41.540 41.800 -0.260 1
1 434 . 11 1 1 A 59 59 ASP N N 41 120.478 119.026 1.452 1
1 435 . 11 1 1 A 60 60 ASN HA H 42 4.317 4.496 -0.179 1
1 440 . 11 1 1 A 60 60 ASN C C 42 177.739 177.937 -0.198 1
1 441 . 11 1 1 A 60 60 ASN CA C 42 56.637 55.707 0.930 1
1 442 . 11 1 1 A 60 60 ASN CB C 42 37.586 37.929 -0.343 1
1 444 . 11 1 1 A 61 61 ASN H H 43 8.442 8.173 0.269 1
1 445 . 11 1 1 A 61 61 ASN HA H 43 4.450 4.571 -0.121 1
1 448 . 11 1 1 A 61 61 ASN C C 43 177.439 177.495 -0.056 1
1 449 . 11 1 1 A 61 61 ASN CA C 43 56.528 56.254 0.274 1
1 450 . 11 1 1 A 61 61 ASN CB C 43 38.023 37.997 0.026 1
1 451 . 11 1 1 A 61 61 ASN N N 43 118.960 118.662 0.298 1
1 452 . 11 1 1 A 62 62 ALA H H 44 8.229 8.187 0.042 1
1 453 . 11 1 1 A 62 62 ALA HA H 44 4.102 4.180 -0.078 1
1 457 . 11 1 1 A 62 62 ALA C C 44 180.973 180.214 0.759 1
1 458 . 11 1 1 A 62 62 ALA CA C 44 54.672 54.831 -0.159 1
1 459 . 11 1 1 A 62 62 ALA CB C 44 18.466 18.303 0.163 1
1 460 . 11 1 1 A 62 62 ALA N N 44 123.651 122.916 0.735 1
1 461 . 11 1 1 A 63 63 ALA H H 45 8.779 8.148 0.631 1
1 462 . 11 1 1 A 63 63 ALA HA H 45 4.238 4.266 -0.028 1
1 466 . 11 1 1 A 63 63 ALA C C 45 178.680 179.691 -1.011 1
1 467 . 11 1 1 A 63 63 ALA CA C 45 54.945 55.034 -0.089 1
1 468 . 11 1 1 A 63 63 ALA CB C 45 18.685 18.292 0.393 1
1 469 . 11 1 1 A 63 63 ALA N N 45 121.928 120.460 1.468 1
1 470 . 11 1 1 A 64 64 ALA H H 46 8.024 7.894 0.130 1
1 471 . 11 1 1 A 64 64 ALA HA H 46 4.109 4.317 -0.208 1
1 475 . 11 1 1 A 64 64 ALA C C 46 179.731 179.764 -0.033 1
1 476 . 11 1 1 A 64 64 ALA CA C 46 55.873 55.201 0.672 1
1 477 . 11 1 1 A 64 64 ALA CB C 46 17.853 18.430 -0.577 1
1 478 . 11 1 1 A 64 64 ALA N N 46 121.126 120.256 0.870 1
1 479 . 11 1 1 A 65 65 ILE H H 47 7.220 7.819 -0.599 1
1 480 . 11 1 1 A 65 65 ILE HA H 47 3.740 3.623 0.117 1
1 490 . 11 1 1 A 65 65 ILE C C 47 179.049 178.350 0.699 1
1 491 . 11 1 1 A 65 65 ILE CA C 47 64.061 65.623 -1.562 1
1 492 . 11 1 1 A 65 65 ILE CB C 47 38.528 37.780 0.748 1
1 496 . 11 1 1 A 65 65 ILE N N 47 117.953 118.423 -0.470 1
1 497 . 11 1 1 A 66 66 LYS H H 48 8.363 8.043 0.320 1
1 498 . 11 1 1 A 66 66 LYS HA H 48 4.062 4.038 0.024 1
1 507 . 11 1 1 A 66 66 LYS C C 48 177.739 178.805 -1.066 1
1 508 . 11 1 1 A 66 66 LYS CA C 48 57.074 58.514 -1.440 1
1 509 . 11 1 1 A 66 66 LYS CB C 48 31.472 31.889 -0.417 1
1 513 . 11 1 1 A 66 66 LYS N N 48 121.894 120.923 0.971 1
1 514 . 11 1 1 A 67 67 ALA H H 49 8.730 8.199 0.531 1
1 515 . 11 1 1 A 67 67 ALA HA H 49 3.682 4.151 -0.469 1
1 519 . 11 1 1 A 67 67 ALA C C 49 178.339 180.210 -1.871 1
1 520 . 11 1 1 A 67 67 ALA CA C 49 56.037 55.158 0.879 1
1 521 . 11 1 1 A 67 67 ALA CB C 49 18.126 18.318 -0.192 1
1 522 . 11 1 1 A 67 67 ALA N N 49 121.723 122.437 -0.714 1
1 523 . 11 1 1 A 68 68 LEU H H 50 6.888 8.039 -1.151 1
1 524 . 11 1 1 A 68 68 LEU HA H 50 4.020 4.024 -0.004 1
1 534 . 11 1 1 A 68 68 LEU C C 50 178.776 179.533 -0.757 1
1 535 . 11 1 1 A 68 68 LEU CA C 50 57.892 57.633 0.259 1
1 536 . 11 1 1 A 68 68 LEU CB C 50 41.832 41.180 0.652 1
1 540 . 11 1 1 A 68 68 LEU N N 50 115.156 119.158 -4.002 1
1 541 . 11 1 1 A 69 69 GLU H H 51 7.216 8.022 -0.806 1
1 542 . 11 1 1 A 69 69 GLU HA H 51 3.836 4.030 -0.194 1
1 547 . 11 1 1 A 69 69 GLU C C 51 178.721 179.189 -0.468 1
1 548 . 11 1 1 A 69 69 GLU CA C 51 59.257 59.295 -0.038 1
1 549 . 11 1 1 A 69 69 GLU CB C 51 29.343 29.554 -0.211 1
1 551 . 11 1 1 A 69 69 GLU N N 51 119.727 120.371 -0.644 1
1 552 . 11 1 1 A 70 70 LEU H H 52 8.326 7.912 0.414 1
1 553 . 11 1 1 A 70 70 LEU HA H 52 3.501 3.850 -0.349 1
1 563 . 11 1 1 A 70 70 LEU C C 52 178.421 178.439 -0.018 1
1 564 . 11 1 1 A 70 70 LEU CA C 52 56.814 57.212 -0.398 1
1 565 . 11 1 1 A 70 70 LEU CB C 52 39.497 40.918 -1.421 1
1 569 . 11 1 1 A 70 70 LEU N N 52 117.442 119.399 -1.957 1
1 570 . 11 1 1 A 71 71 TYR H H 53 7.440 7.961 -0.521 1
1 571 . 11 1 1 A 71 71 TYR HA H 53 4.010 3.504 0.506 1
1 578 . 11 1 1 A 71 71 TYR C C 53 177.602 177.845 -0.243 1
1 579 . 11 1 1 A 71 71 TYR CA C 53 60.751 61.083 -0.332 1
1 580 . 11 1 1 A 71 71 TYR CB C 53 38.221 38.568 -0.347 1
1 583 . 11 1 1 A 71 71 TYR N N 53 118.670 120.443 -1.773 1
1 584 . 11 1 1 A 72 72 LYS H H 54 7.720 8.112 -0.392 1
1 585 . 11 1 1 A 72 72 LYS HA H 54 3.543 3.894 -0.351 1
1 594 . 11 1 1 A 72 72 LYS C C 54 178.216 177.952 0.264 1
1 595 . 11 1 1 A 72 72 LYS CA C 54 59.475 59.045 0.430 1
1 596 . 11 1 1 A 72 72 LYS CB C 54 32.400 31.836 0.564 1
1 600 . 11 1 1 A 72 72 LYS N N 54 120.512 118.160 2.352 1
1 601 . 11 1 1 A 73 73 ILE H H 55 7.265 7.229 0.036 1
1 602 . 11 1 1 A 73 73 ILE HA H 55 4.327 4.064 0.263 1
1 610 . 11 1 1 A 73 73 ILE CA C 55 60.625 61.372 -0.747 1
1 611 . 11 1 1 A 73 73 ILE CB C 55 38.244 38.567 -0.323 1
1 614 . 11 1 1 A 73 73 ILE N N 55 109.032 115.668 -6.636 1
1 615 . 11 1 1 A 74 74 ASN HA H 56 4.225 4.399 -0.174 1
1 620 . 11 1 1 A 74 74 ASN C C 56 174.532 174.179 0.353 1
1 621 . 11 1 1 A 74 74 ASN CA C 56 53.853 53.890 -0.037 1
1 622 . 11 1 1 A 74 74 ASN CB C 56 37.027 36.870 0.157 1
1 624 . 11 1 1 A 75 75 ALA H H 57 7.653 7.860 -0.207 1
1 625 . 11 1 1 A 75 75 ALA HA H 57 4.126 4.417 -0.291 1
1 629 . 11 1 1 A 75 75 ALA C C 57 177.848 177.185 0.663 1
1 630 . 11 1 1 A 75 75 ALA CA C 57 51.969 51.490 0.479 1
1 631 . 11 1 1 A 75 75 ALA CB C 57 20.500 20.401 0.099 1
1 632 . 11 1 1 A 75 75 ALA N N 57 119.216 119.660 -0.444 1
1 633 . 11 1 1 A 76 76 LYS H H 58 8.612 8.596 0.016 1
1 634 . 11 1 1 A 76 76 LYS HA H 58 3.999 4.278 -0.279 1
1 643 . 11 1 1 A 76 76 LYS C C 58 176.142 175.674 0.468 1
1 644 . 11 1 1 A 76 76 LYS CA C 58 58.220 56.320 1.900 1
1 645 . 11 1 1 A 76 76 LYS CB C 58 32.673 32.307 0.366 1
1 649 . 11 1 1 A 76 76 LYS N N 58 122.696 118.938 3.758 1
1 650 . 11 1 1 A 77 77 LEU H H 59 8.427 8.966 -0.539 1
1 651 . 11 1 1 A 77 77 LEU HA H 59 4.954 5.003 -0.049 1
1 661 . 11 1 1 A 77 77 LEU C C 59 177.712 175.297 2.415 1
1 662 . 11 1 1 A 77 77 LEU CA C 59 52.843 53.839 -0.996 1
1 663 . 11 1 1 A 77 77 LEU CB C 59 43.611 43.835 -0.224 1
1 667 . 11 1 1 A 77 77 LEU N N 59 129.775 127.177 2.598 1
1 668 . 11 1 1 A 78 78 CYS H H 60 8.573 8.627 -0.054 1
1 669 . 11 1 1 A 78 78 CYS HA H 60 3.938 4.552 -0.614 1
1 672 . 11 1 1 A 78 78 CYS C C 60 176.265 173.381 2.884 1
1 673 . 11 1 1 A 78 78 CYS CA C 60 61.768 58.270 3.498 1
1 674 . 11 1 1 A 78 78 CYS CB C 60 31.103 26.028 5.075 1
1 675 . 11 1 1 A 78 78 CYS N N 60 126.244 126.255 -0.011 1
1 676 . 11 1 1 A 79 79 ASP H H 61 8.570 8.446 0.124 1
1 677 . 11 1 1 A 79 79 ASP HA H 61 4.765 5.125 -0.360 1
1 680 . 11 1 1 A 79 79 ASP CA C 61 52.464 50.604 1.860 1
1 681 . 11 1 1 A 79 79 ASP CB C 61 40.598 44.158 -3.560 1
1 682 . 11 1 1 A 79 79 ASP N N 61 123.037 125.248 -2.211 1
1 683 . 11 1 1 A 80 80 PRO HA H 62 4.351 4.803 -0.452 1
1 690 . 11 1 1 A 80 80 PRO C C 62 175.296 175.566 -0.270 1
1 691 . 11 1 1 A 80 80 PRO CA C 62 63.419 62.786 0.633 1
1 692 . 11 1 1 A 80 80 PRO CB C 62 31.963 31.660 0.303 1
1 695 . 11 1 1 A 81 81 HIS H H 63 8.283 8.503 -0.220 1
1 696 . 11 1 1 A 81 81 HIS HA H 63 4.737 5.157 -0.420 1
1 697 . 11 1 1 A 81 81 HIS CA C 63 54.272 53.791 0.481 1
1 698 . 11 1 1 A 81 81 HIS N N 63 122.934 122.719 0.215 1
1 1 . 12 1 1 A 20 20 LYS HA H 2 4.205 4.304 -0.099 1
1 8 . 12 1 1 A 20 20 LYS C C 2 176.538 175.505 1.033 1
1 9 . 12 1 1 A 20 20 LYS CA C 2 56.364 55.586 0.778 1
1 10 . 12 1 1 A 20 20 LYS CB C 2 30.708 31.974 -1.266 1
1 13 . 12 1 1 A 21 21 ARG H H 3 8.541 8.282 0.259 1
1 14 . 12 1 1 A 21 21 ARG N N 3 120.785 127.587 -6.802 1
1 15 . 12 1 1 A 22 22 ALA HA H 4 4.082 3.794 0.288 1
1 19 . 12 1 1 A 22 22 ALA CA C 4 54.047 55.197 -1.150 1
1 20 . 12 1 1 A 22 22 ALA CB C 4 18.824 18.007 0.817 1
1 21 . 12 1 1 A 23 23 ALA HA H 5 4.177 4.289 -0.112 1
1 25 . 12 1 1 A 23 23 ALA C C 5 178.940 179.312 -0.372 1
1 26 . 12 1 1 A 23 23 ALA CA C 5 53.798 54.862 -1.064 1
1 27 . 12 1 1 A 23 23 ALA CB C 5 18.753 18.416 0.337 1
1 28 . 12 1 1 A 24 24 ALA H H 6 7.783 7.943 -0.160 1
1 29 . 12 1 1 A 24 24 ALA HA H 6 4.007 4.102 -0.095 1
1 33 . 12 1 1 A 24 24 ALA C C 6 178.203 179.440 -1.237 1
1 34 . 12 1 1 A 24 24 ALA CA C 6 54.590 55.107 -0.517 1
1 35 . 12 1 1 A 24 24 ALA CB C 6 18.494 18.370 0.124 1
1 36 . 12 1 1 A 24 24 ALA N N 6 121.484 120.543 0.941 1
1 37 . 12 1 1 A 25 25 LYS H H 7 7.921 7.607 0.314 1
1 38 . 12 1 1 A 25 25 LYS HA H 7 3.723 3.916 -0.193 1
1 47 . 12 1 1 A 25 25 LYS C C 7 178.121 179.163 -1.042 1
1 48 . 12 1 1 A 25 25 LYS CA C 7 59.475 58.808 0.667 1
1 49 . 12 1 1 A 25 25 LYS CB C 7 32.382 31.698 0.684 1
1 53 . 12 1 1 A 25 25 LYS N N 7 117.083 118.828 -1.745 1
1 54 . 12 1 1 A 26 26 HIS H H 8 7.810 7.790 0.020 1
1 55 . 12 1 1 A 26 26 HIS HA H 8 4.327 4.362 -0.035 1
1 58 . 12 1 1 A 26 26 HIS C C 8 175.774 178.029 -2.255 1
1 59 . 12 1 1 A 26 26 HIS CA C 8 58.657 59.884 -1.227 1
1 60 . 12 1 1 A 26 26 HIS CB C 8 30.271 30.258 0.013 1
1 61 . 12 1 1 A 26 26 HIS N N 8 117.117 118.202 -1.085 1
1 62 . 12 1 1 A 27 27 LEU H H 9 7.710 7.992 -0.282 1
1 63 . 12 1 1 A 27 27 LEU HA H 9 3.921 3.970 -0.049 1
1 72 . 12 1 1 A 27 27 LEU C C 9 178.585 178.997 -0.412 1
1 73 . 12 1 1 A 27 27 LEU CA C 9 58.002 57.867 0.135 1
1 74 . 12 1 1 A 27 27 LEU CB C 9 42.288 41.337 0.951 1
1 77 . 12 1 1 A 27 27 LEU N N 9 120.717 119.344 1.373 1
1 78 . 12 1 1 A 28 28 ILE H H 10 8.559 7.558 1.001 1
1 79 . 12 1 1 A 28 28 ILE HA H 10 3.656 3.493 0.163 1
1 89 . 12 1 1 A 28 28 ILE C C 10 178.148 178.170 -0.022 1
1 90 . 12 1 1 A 28 28 ILE CA C 10 66.845 65.287 1.558 1
1 91 . 12 1 1 A 28 28 ILE CB C 10 37.913 37.697 0.216 1
1 95 . 12 1 1 A 28 28 ILE N N 10 120.086 120.203 -0.117 1
1 96 . 12 1 1 A 29 29 GLU H H 11 7.849 7.993 -0.144 1
1 97 . 12 1 1 A 29 29 GLU HA H 11 4.013 4.112 -0.099 1
1 102 . 12 1 1 A 29 29 GLU C C 11 179.376 179.262 0.114 1
1 103 . 12 1 1 A 29 29 GLU CA C 11 59.584 59.056 0.528 1
1 104 . 12 1 1 A 29 29 GLU CB C 11 29.070 29.115 -0.045 1
1 106 . 12 1 1 A 29 29 GLU N N 11 118.346 121.067 -2.721 1
1 107 . 12 1 1 A 30 30 ARG H H 12 7.839 7.830 0.009 1
1 108 . 12 1 1 A 30 30 ARG HA H 12 4.064 3.983 0.081 1
1 115 . 12 1 1 A 30 30 ARG C C 12 180.318 179.047 1.271 1
1 116 . 12 1 1 A 30 30 ARG CA C 12 59.585 59.682 -0.097 1
1 117 . 12 1 1 A 30 30 ARG CB C 12 29.234 29.900 -0.666 1
1 120 . 12 1 1 A 30 30 ARG N N 12 120.904 119.032 1.872 1
1 121 . 12 1 1 A 31 31 TYR H H 13 8.545 7.949 0.596 1
1 122 . 12 1 1 A 31 31 TYR HA H 13 4.064 4.406 -0.342 1
1 129 . 12 1 1 A 31 31 TYR C C 13 177.725 178.739 -1.014 1
1 130 . 12 1 1 A 31 31 TYR CA C 13 63.351 60.361 2.990 1
1 131 . 12 1 1 A 31 31 TYR CB C 13 38.623 37.943 0.680 1
1 134 . 12 1 1 A 31 31 TYR N N 13 120.393 119.880 0.513 1
1 135 . 12 1 1 A 32 32 TYR H H 14 8.783 8.373 0.410 1
1 136 . 12 1 1 A 32 32 TYR HA H 14 3.948 4.184 -0.236 1
1 143 . 12 1 1 A 32 32 TYR C C 14 178.599 177.455 1.144 1
1 144 . 12 1 1 A 32 32 TYR CA C 14 62.669 62.279 0.390 1
1 145 . 12 1 1 A 32 32 TYR CB C 14 38.350 38.548 -0.198 1
1 148 . 12 1 1 A 32 32 TYR N N 14 120.342 120.441 -0.099 1
1 149 . 12 1 1 A 33 33 HIS H H 15 8.740 8.382 0.358 1
1 150 . 12 1 1 A 33 33 HIS HA H 15 3.906 4.379 -0.473 1
1 153 . 12 1 1 A 33 33 HIS C C 15 177.834 177.026 0.808 1
1 154 . 12 1 1 A 33 33 HIS CA C 15 60.622 59.458 1.164 1
1 155 . 12 1 1 A 33 33 HIS CB C 15 30.599 29.848 0.751 1
1 156 . 12 1 1 A 33 33 HIS N N 15 121.297 118.983 2.314 1
1 157 . 12 1 1 A 34 34 GLN H H 16 8.371 8.220 0.151 1
1 158 . 12 1 1 A 34 34 GLN HA H 16 3.709 4.035 -0.326 1
1 165 . 12 1 1 A 34 34 GLN C C 16 176.238 178.345 -2.107 1
1 166 . 12 1 1 A 34 34 GLN CA C 16 60.185 58.352 1.833 1
1 167 . 12 1 1 A 34 34 GLN CB C 16 30.653 28.551 2.102 1
1 169 . 12 1 1 A 34 34 GLN N N 16 122.576 118.688 3.888 1
1 171 . 12 1 1 A 35 35 LEU H H 17 7.916 8.140 -0.224 1
1 172 . 12 1 1 A 35 35 LEU HA H 17 3.978 4.035 -0.057 1
1 182 . 12 1 1 A 35 35 LEU C C 17 175.624 178.649 -3.025 1
1 183 . 12 1 1 A 35 35 LEU CA C 17 56.377 57.286 -0.909 1
1 184 . 12 1 1 A 35 35 LEU CB C 17 45.098 41.599 3.499 1
1 188 . 12 1 1 A 35 35 LEU N N 17 116.299 118.801 -2.502 1
1 189 . 12 1 1 A 36 36 THR H H 18 7.148 7.324 -0.176 1
1 190 . 12 1 1 A 36 36 THR HA H 18 4.215 4.258 -0.043 1
1 195 . 12 1 1 A 36 36 THR C C 18 174.709 176.832 -2.123 1
1 196 . 12 1 1 A 36 36 THR CA C 18 61.522 63.848 -2.326 1
1 197 . 12 1 1 A 36 36 THR CB C 18 70.434 69.027 1.407 1
1 199 . 12 1 1 A 36 36 THR N N 18 105.023 110.538 -5.515 1
1 200 . 12 1 1 A 37 37 GLU H H 19 8.234 7.913 0.321 1
1 201 . 12 1 1 A 37 37 GLU HA H 19 4.187 4.058 0.129 1
1 206 . 12 1 1 A 37 37 GLU C C 19 177.657 177.112 0.545 1
1 207 . 12 1 1 A 37 37 GLU CA C 19 56.855 57.124 -0.269 1
1 208 . 12 1 1 A 37 37 GLU CB C 19 30.872 30.318 0.554 1
1 210 . 12 1 1 A 37 37 GLU N N 19 122.559 119.749 2.810 1
1 211 . 12 1 1 A 38 38 GLY H H 20 7.485 7.542 -0.057 1
1 212 . 12 1 1 A 38 38 GLY HA2 H 20 4.586 3.944 0.642 1
1 213 . 12 1 1 A 38 38 GLY HA3 H 20 4.358 3.965 0.393 1
1 214 . 12 1 1 A 38 38 GLY C C 20 172.976 174.196 -1.220 1
1 215 . 12 1 1 A 38 38 GLY CA C 20 44.177 44.826 -0.649 1
1 216 . 12 1 1 A 38 38 GLY N N 20 107.019 105.638 1.381 1
1 217 . 12 1 1 A 39 39 CYS H H 21 7.410 8.108 -0.698 1
1 218 . 12 1 1 A 39 39 CYS HA H 21 4.498 4.630 -0.132 1
1 221 . 12 1 1 A 39 39 CYS C C 21 176.865 176.059 0.806 1
1 222 . 12 1 1 A 39 39 CYS CA C 21 58.493 58.439 0.054 1
1 223 . 12 1 1 A 39 39 CYS CB C 21 31.636 29.387 2.249 1
1 224 . 12 1 1 A 39 39 CYS N N 21 118.260 123.169 -4.909 1
1 225 . 12 1 1 A 40 40 GLY H H 22 8.670 8.201 0.469 1
1 226 . 12 1 1 A 40 40 GLY HA2 H 22 4.260 3.977 0.283 1
1 227 . 12 1 1 A 40 40 GLY HA3 H 22 3.505 4.018 -0.513 1
1 228 . 12 1 1 A 40 40 GLY C C 22 173.618 174.234 -0.616 1
1 229 . 12 1 1 A 40 40 GLY CA C 22 45.188 45.237 -0.049 1
1 230 . 12 1 1 A 40 40 GLY N N 22 112.324 111.095 1.229 1
1 231 . 12 1 1 A 41 41 ASN H H 23 8.379 8.017 0.362 1
1 232 . 12 1 1 A 41 41 ASN HA H 23 4.452 4.555 -0.103 1
1 237 . 12 1 1 A 41 41 ASN C C 23 175.132 176.245 -1.113 1
1 238 . 12 1 1 A 41 41 ASN CA C 23 52.106 53.775 -1.669 1
1 239 . 12 1 1 A 41 41 ASN CB C 23 38.678 39.355 -0.677 1
1 240 . 12 1 1 A 41 41 ASN N N 23 122.184 119.880 2.304 1
1 242 . 12 1 1 A 42 42 GLU H H 24 8.769 8.944 -0.175 1
1 243 . 12 1 1 A 42 42 GLU HA H 24 4.167 3.911 0.256 1
1 248 . 12 1 1 A 42 42 GLU C C 24 175.801 177.784 -1.983 1
1 249 . 12 1 1 A 42 42 GLU CA C 24 57.947 59.800 -1.853 1
1 250 . 12 1 1 A 42 42 GLU CB C 24 29.016 29.894 -0.878 1
1 252 . 12 1 1 A 42 42 GLU N N 24 124.589 125.918 -1.329 1
1 253 . 12 1 1 A 43 43 ALA H H 25 7.839 7.756 0.083 1
1 254 . 12 1 1 A 43 43 ALA HA H 25 4.381 4.363 0.018 1
1 258 . 12 1 1 A 43 43 ALA C C 25 175.842 176.183 -0.341 1
1 259 . 12 1 1 A 43 43 ALA CA C 25 50.319 51.662 -1.343 1
1 260 . 12 1 1 A 43 43 ALA CB C 25 18.563 17.878 0.685 1
1 261 . 12 1 1 A 43 43 ALA N N 25 121.706 119.909 1.797 1
1 262 . 12 1 1 A 44 44 CYS H H 26 7.350 8.555 -1.205 1
1 263 . 12 1 1 A 44 44 CYS HA H 26 3.757 4.974 -1.217 1
1 266 . 12 1 1 A 44 44 CYS C C 26 176.019 173.482 2.537 1
1 267 . 12 1 1 A 44 44 CYS CA C 26 62.696 57.042 5.654 1
1 268 . 12 1 1 A 44 44 CYS CB C 26 29.671 29.382 0.289 1
1 269 . 12 1 1 A 44 44 CYS N N 26 124.265 123.177 1.088 1
1 270 . 12 1 1 A 45 45 THR H H 27 7.872 8.859 -0.987 1
1 271 . 12 1 1 A 45 45 THR HA H 27 4.511 4.546 -0.035 1
1 276 . 12 1 1 A 45 45 THR C C 27 174.969 173.200 1.769 1
1 277 . 12 1 1 A 45 45 THR CA C 27 61.113 60.446 0.667 1
1 278 . 12 1 1 A 45 45 THR CB C 27 69.834 67.302 2.532 1
1 280 . 12 1 1 A 45 45 THR N N 27 115.292 124.568 -9.276 1
1 281 . 12 1 1 A 46 46 ASN H H 28 9.336 7.721 1.615 1
1 282 . 12 1 1 A 46 46 ASN HA H 28 4.430 5.048 -0.618 1
1 287 . 12 1 1 A 46 46 ASN C C 28 174.273 175.153 -0.880 1
1 288 . 12 1 1 A 46 46 ASN CA C 28 53.144 52.377 0.767 1
1 289 . 12 1 1 A 46 46 ASN CB C 28 38.500 40.182 -1.682 1
1 290 . 12 1 1 A 46 46 ASN N N 28 127.779 124.859 2.920 1
1 292 . 12 1 1 A 47 47 GLU H H 29 8.499 8.931 -0.432 1
1 293 . 12 1 1 A 47 47 GLU HA H 29 4.006 4.129 -0.123 1
1 298 . 12 1 1 A 47 47 GLU C C 29 175.815 177.056 -1.241 1
1 299 . 12 1 1 A 47 47 GLU CA C 29 58.111 58.577 -0.466 1
1 300 . 12 1 1 A 47 47 GLU CB C 29 29.070 28.887 0.183 1
1 302 . 12 1 1 A 47 47 GLU N N 29 123.804 125.614 -1.810 1
1 303 . 12 1 1 A 48 48 PHE H H 30 7.423 7.302 0.121 1
1 304 . 12 1 1 A 48 48 PHE HA H 30 4.860 4.758 0.102 1
1 311 . 12 1 1 A 48 48 PHE C C 30 171.980 175.060 -3.080 1
1 312 . 12 1 1 A 48 48 PHE CA C 30 56.336 57.906 -1.570 1
1 313 . 12 1 1 A 48 48 PHE CB C 30 38.132 38.872 -0.740 1
1 316 . 12 1 1 A 48 48 PHE N N 30 117.186 118.181 -0.995 1
1 317 . 12 1 1 A 49 49 CYS H H 31 7.420 7.803 -0.383 1
1 318 . 12 1 1 A 49 49 CYS HA H 31 4.264 4.688 -0.424 1
1 321 . 12 1 1 A 49 49 CYS C C 31 174.436 172.928 1.508 1
1 322 . 12 1 1 A 49 49 CYS CA C 31 57.047 57.666 -0.619 1
1 323 . 12 1 1 A 49 49 CYS CB C 31 33.492 31.153 2.339 1
1 324 . 12 1 1 A 49 49 CYS N N 31 121.843 118.252 3.591 1
1 325 . 12 1 1 A 50 50 ALA H H 32 7.949 8.372 -0.423 1
1 326 . 12 1 1 A 50 50 ALA HA H 32 2.992 2.967 0.025 1
1 330 . 12 1 1 A 50 50 ALA C C 32 178.762 177.976 0.786 1
1 331 . 12 1 1 A 50 50 ALA CA C 32 53.007 51.262 1.745 1
1 332 . 12 1 1 A 50 50 ALA CB C 32 17.007 19.381 -2.374 1
1 333 . 12 1 1 A 50 50 ALA N N 32 128.103 127.302 0.801 1
1 334 . 12 1 1 A 51 51 SER H H 33 9.507 8.798 0.709 1
1 335 . 12 1 1 A 51 51 SER HA H 33 4.299 4.171 0.128 1
1 338 . 12 1 1 A 51 51 SER C C 33 173.399 173.049 0.350 1
1 339 . 12 1 1 A 51 51 SER CA C 33 60.840 59.549 1.291 1
1 340 . 12 1 1 A 51 51 SER CB C 33 63.679 62.726 0.953 1
1 341 . 12 1 1 A 51 51 SER N N 33 119.062 114.843 4.219 1
1 342 . 12 1 1 A 52 52 CYS H H 34 7.978 7.786 0.192 1
1 343 . 12 1 1 A 52 52 CYS HA H 34 4.652 4.654 -0.002 1
1 346 . 12 1 1 A 52 52 CYS CA C 34 55.835 58.084 -2.249 1
1 347 . 12 1 1 A 52 52 CYS CB C 34 27.879 27.669 0.210 1
1 348 . 12 1 1 A 52 52 CYS N N 34 124.589 120.607 3.982 1
1 349 . 12 1 1 A 53 53 PRO HA H 35 4.393 4.374 0.019 1
1 356 . 12 1 1 A 53 53 PRO C C 35 177.889 177.320 0.569 1
1 357 . 12 1 1 A 53 53 PRO CA C 35 65.180 65.007 0.173 1
1 358 . 12 1 1 A 53 53 PRO CB C 35 32.850 32.083 0.767 1
1 361 . 12 1 1 A 54 54 THR H H 36 7.507 7.654 -0.147 1
1 362 . 12 1 1 A 54 54 THR HA H 36 4.314 4.364 -0.050 1
1 367 . 12 1 1 A 54 54 THR C C 36 174.177 174.645 -0.468 1
1 368 . 12 1 1 A 54 54 THR CA C 36 61.195 62.163 -0.968 1
1 369 . 12 1 1 A 54 54 THR CB C 36 68.101 69.188 -1.087 1
1 371 . 12 1 1 A 54 54 THR N N 36 107.002 108.124 -1.122 1
1 372 . 12 1 1 A 55 55 PHE H H 37 7.716 7.720 -0.004 1
1 373 . 12 1 1 A 55 55 PHE HA H 37 4.204 4.886 -0.682 1
1 380 . 12 1 1 A 55 55 PHE C C 37 175.228 173.966 1.262 1
1 381 . 12 1 1 A 55 55 PHE CA C 37 58.875 56.397 2.478 1
1 382 . 12 1 1 A 55 55 PHE CB C 37 40.942 40.374 0.568 1
1 385 . 12 1 1 A 55 55 PHE N N 37 124.794 123.806 0.988 1
1 386 . 12 1 1 A 56 56 LEU H H 38 7.490 8.547 -1.057 1
1 387 . 12 1 1 A 56 56 LEU HA H 38 4.310 4.613 -0.303 1
1 397 . 12 1 1 A 56 56 LEU C C 38 174.300 176.107 -1.807 1
1 398 . 12 1 1 A 56 56 LEU CA C 38 53.416 53.705 -0.289 1
1 399 . 12 1 1 A 56 56 LEU CB C 38 41.386 44.267 -2.881 1
1 403 . 12 1 1 A 56 56 LEU N N 38 130.713 129.376 1.337 1
1 404 . 12 1 1 A 57 57 ARG H H 39 7.930 8.313 -0.383 1
1 405 . 12 1 1 A 57 57 ARG HA H 39 3.994 4.215 -0.221 1
1 412 . 12 1 1 A 57 57 ARG CA C 39 57.374 56.659 0.715 1
1 413 . 12 1 1 A 57 57 ARG CB C 39 30.517 31.084 -0.567 1
1 416 . 12 1 1 A 57 57 ARG N N 39 122.866 124.857 -1.991 1
1 417 . 12 1 1 A 58 58 MET H H 40 8.408 8.793 -0.385 1
1 418 . 12 1 1 A 58 58 MET HA H 40 4.706 5.093 -0.387 1
1 423 . 12 1 1 A 58 58 MET C C 40 175.160 174.762 0.398 1
1 424 . 12 1 1 A 58 58 MET CA C 40 53.908 53.874 0.034 1
1 425 . 12 1 1 A 58 58 MET CB C 40 36.603 35.738 0.865 1
1 427 . 12 1 1 A 58 58 MET N N 40 121.024 118.843 2.181 1
1 428 . 12 1 1 A 59 59 ASP H H 41 8.419 8.781 -0.362 1
1 429 . 12 1 1 A 59 59 ASP HA H 41 4.588 4.843 -0.255 1
1 432 . 12 1 1 A 59 59 ASP CA C 41 53.699 52.850 0.849 1
1 433 . 12 1 1 A 59 59 ASP CB C 41 41.540 41.307 0.233 1
1 434 . 12 1 1 A 59 59 ASP N N 41 120.478 120.976 -0.498 1
1 435 . 12 1 1 A 60 60 ASN HA H 42 4.317 4.509 -0.192 1
1 440 . 12 1 1 A 60 60 ASN C C 42 177.739 177.786 -0.047 1
1 441 . 12 1 1 A 60 60 ASN CA C 42 56.637 56.048 0.589 1
1 442 . 12 1 1 A 60 60 ASN CB C 42 37.586 37.694 -0.108 1
1 444 . 12 1 1 A 61 61 ASN H H 43 8.442 7.858 0.584 1
1 445 . 12 1 1 A 61 61 ASN HA H 43 4.450 4.530 -0.080 1
1 448 . 12 1 1 A 61 61 ASN C C 43 177.439 177.589 -0.150 1
1 449 . 12 1 1 A 61 61 ASN CA C 43 56.528 56.023 0.505 1
1 450 . 12 1 1 A 61 61 ASN CB C 43 38.023 38.205 -0.182 1
1 451 . 12 1 1 A 61 61 ASN N N 43 118.960 118.922 0.038 1
1 452 . 12 1 1 A 62 62 ALA H H 44 8.229 7.980 0.249 1
1 453 . 12 1 1 A 62 62 ALA HA H 44 4.102 4.103 -0.001 1
1 457 . 12 1 1 A 62 62 ALA C C 44 180.973 180.140 0.833 1
1 458 . 12 1 1 A 62 62 ALA CA C 44 54.672 54.853 -0.181 1
1 459 . 12 1 1 A 62 62 ALA CB C 44 18.466 18.229 0.237 1
1 460 . 12 1 1 A 62 62 ALA N N 44 123.651 122.996 0.655 1
1 461 . 12 1 1 A 63 63 ALA H H 45 8.779 8.180 0.599 1
1 462 . 12 1 1 A 63 63 ALA HA H 45 4.238 4.211 0.027 1
1 466 . 12 1 1 A 63 63 ALA C C 45 178.680 179.748 -1.068 1
1 467 . 12 1 1 A 63 63 ALA CA C 45 54.945 54.929 0.016 1
1 468 . 12 1 1 A 63 63 ALA CB C 45 18.685 18.302 0.383 1
1 469 . 12 1 1 A 63 63 ALA N N 45 121.928 120.407 1.521 1
1 470 . 12 1 1 A 64 64 ALA H H 46 8.024 7.954 0.070 1
1 471 . 12 1 1 A 64 64 ALA HA H 46 4.109 4.361 -0.252 1
1 475 . 12 1 1 A 64 64 ALA C C 46 179.731 179.855 -0.124 1
1 476 . 12 1 1 A 64 64 ALA CA C 46 55.873 55.238 0.635 1
1 477 . 12 1 1 A 64 64 ALA CB C 46 17.853 18.539 -0.686 1
1 478 . 12 1 1 A 64 64 ALA N N 46 121.126 120.766 0.360 1
1 479 . 12 1 1 A 65 65 ILE H H 47 7.220 7.975 -0.755 1
1 480 . 12 1 1 A 65 65 ILE HA H 47 3.740 3.649 0.091 1
1 490 . 12 1 1 A 65 65 ILE C C 47 179.049 178.190 0.859 1
1 491 . 12 1 1 A 65 65 ILE CA C 47 64.061 65.727 -1.666 1
1 492 . 12 1 1 A 65 65 ILE CB C 47 38.528 37.797 0.731 1
1 496 . 12 1 1 A 65 65 ILE N N 47 117.953 118.376 -0.423 1
1 497 . 12 1 1 A 66 66 LYS H H 48 8.363 8.077 0.286 1
1 498 . 12 1 1 A 66 66 LYS HA H 48 4.062 4.012 0.050 1
1 507 . 12 1 1 A 66 66 LYS C C 48 177.739 178.844 -1.105 1
1 508 . 12 1 1 A 66 66 LYS CA C 48 57.074 58.773 -1.699 1
1 509 . 12 1 1 A 66 66 LYS CB C 48 31.472 32.300 -0.828 1
1 513 . 12 1 1 A 66 66 LYS N N 48 121.894 121.116 0.778 1
1 514 . 12 1 1 A 67 67 ALA H H 49 8.730 8.100 0.630 1
1 515 . 12 1 1 A 67 67 ALA HA H 49 3.682 4.198 -0.516 1
1 519 . 12 1 1 A 67 67 ALA C C 49 178.339 180.363 -2.024 1
1 520 . 12 1 1 A 67 67 ALA CA C 49 56.037 55.170 0.867 1
1 521 . 12 1 1 A 67 67 ALA CB C 49 18.126 18.201 -0.075 1
1 522 . 12 1 1 A 67 67 ALA N N 49 121.723 122.573 -0.850 1
1 523 . 12 1 1 A 68 68 LEU H H 50 6.888 7.973 -1.085 1
1 524 . 12 1 1 A 68 68 LEU HA H 50 4.020 4.081 -0.061 1
1 534 . 12 1 1 A 68 68 LEU C C 50 178.776 179.150 -0.374 1
1 535 . 12 1 1 A 68 68 LEU CA C 50 57.892 57.830 0.062 1
1 536 . 12 1 1 A 68 68 LEU CB C 50 41.832 41.364 0.468 1
1 540 . 12 1 1 A 68 68 LEU N N 50 115.156 118.798 -3.642 1
1 541 . 12 1 1 A 69 69 GLU H H 51 7.216 7.998 -0.782 1
1 542 . 12 1 1 A 69 69 GLU HA H 51 3.836 4.047 -0.211 1
1 547 . 12 1 1 A 69 69 GLU C C 51 178.721 179.115 -0.394 1
1 548 . 12 1 1 A 69 69 GLU CA C 51 59.257 59.298 -0.041 1
1 549 . 12 1 1 A 69 69 GLU CB C 51 29.343 29.220 0.123 1
1 551 . 12 1 1 A 69 69 GLU N N 51 119.727 118.816 0.911 1
1 552 . 12 1 1 A 70 70 LEU H H 52 8.326 8.009 0.317 1
1 553 . 12 1 1 A 70 70 LEU HA H 52 3.501 3.800 -0.299 1
1 563 . 12 1 1 A 70 70 LEU C C 52 178.421 178.369 0.052 1
1 564 . 12 1 1 A 70 70 LEU CA C 52 56.814 56.913 -0.099 1
1 565 . 12 1 1 A 70 70 LEU CB C 52 39.497 40.975 -1.478 1
1 569 . 12 1 1 A 70 70 LEU N N 52 117.442 119.413 -1.971 1
1 570 . 12 1 1 A 71 71 TYR H H 53 7.440 7.866 -0.426 1
1 571 . 12 1 1 A 71 71 TYR HA H 53 4.010 3.833 0.177 1
1 578 . 12 1 1 A 71 71 TYR C C 53 177.602 177.873 -0.271 1
1 579 . 12 1 1 A 71 71 TYR CA C 53 60.751 61.430 -0.679 1
1 580 . 12 1 1 A 71 71 TYR CB C 53 38.221 38.664 -0.443 1
1 583 . 12 1 1 A 71 71 TYR N N 53 118.670 120.400 -1.730 1
1 584 . 12 1 1 A 72 72 LYS H H 54 7.720 7.921 -0.201 1
1 585 . 12 1 1 A 72 72 LYS HA H 54 3.543 3.802 -0.259 1
1 594 . 12 1 1 A 72 72 LYS C C 54 178.216 177.756 0.460 1
1 595 . 12 1 1 A 72 72 LYS CA C 54 59.475 58.875 0.600 1
1 596 . 12 1 1 A 72 72 LYS CB C 54 32.400 31.786 0.614 1
1 600 . 12 1 1 A 72 72 LYS N N 54 120.512 117.982 2.530 1
1 601 . 12 1 1 A 73 73 ILE H H 55 7.265 7.266 -0.001 1
1 602 . 12 1 1 A 73 73 ILE HA H 55 4.327 4.048 0.279 1
1 610 . 12 1 1 A 73 73 ILE CA C 55 60.625 61.058 -0.433 1
1 611 . 12 1 1 A 73 73 ILE CB C 55 38.244 38.452 -0.208 1
1 614 . 12 1 1 A 73 73 ILE N N 55 109.032 115.420 -6.388 1
1 615 . 12 1 1 A 74 74 ASN HA H 56 4.225 4.369 -0.144 1
1 620 . 12 1 1 A 74 74 ASN C C 56 174.532 174.207 0.325 1
1 621 . 12 1 1 A 74 74 ASN CA C 56 53.853 53.948 -0.095 1
1 622 . 12 1 1 A 74 74 ASN CB C 56 37.027 36.844 0.183 1
1 624 . 12 1 1 A 75 75 ALA H H 57 7.653 7.698 -0.045 1
1 625 . 12 1 1 A 75 75 ALA HA H 57 4.126 4.371 -0.245 1
1 629 . 12 1 1 A 75 75 ALA C C 57 177.848 177.144 0.704 1
1 630 . 12 1 1 A 75 75 ALA CA C 57 51.969 51.733 0.236 1
1 631 . 12 1 1 A 75 75 ALA CB C 57 20.500 20.199 0.301 1
1 632 . 12 1 1 A 75 75 ALA N N 57 119.216 119.720 -0.504 1
1 633 . 12 1 1 A 76 76 LYS H H 58 8.612 8.577 0.035 1
1 634 . 12 1 1 A 76 76 LYS HA H 58 3.999 4.440 -0.441 1
1 643 . 12 1 1 A 76 76 LYS C C 58 176.142 175.664 0.478 1
1 644 . 12 1 1 A 76 76 LYS CA C 58 58.220 56.432 1.788 1
1 645 . 12 1 1 A 76 76 LYS CB C 58 32.673 32.540 0.133 1
1 649 . 12 1 1 A 76 76 LYS N N 58 122.696 118.927 3.769 1
1 650 . 12 1 1 A 77 77 LEU H H 59 8.427 8.703 -0.276 1
1 651 . 12 1 1 A 77 77 LEU HA H 59 4.954 5.184 -0.230 1
1 661 . 12 1 1 A 77 77 LEU C C 59 177.712 175.444 2.268 1
1 662 . 12 1 1 A 77 77 LEU CA C 59 52.843 53.513 -0.670 1
1 663 . 12 1 1 A 77 77 LEU CB C 59 43.611 44.819 -1.208 1
1 667 . 12 1 1 A 77 77 LEU N N 59 129.775 127.022 2.753 1
1 668 . 12 1 1 A 78 78 CYS H H 60 8.573 8.740 -0.167 1
1 669 . 12 1 1 A 78 78 CYS HA H 60 3.938 4.675 -0.737 1
1 672 . 12 1 1 A 78 78 CYS C C 60 176.265 175.085 1.180 1
1 673 . 12 1 1 A 78 78 CYS CA C 60 61.768 59.974 1.794 1
1 674 . 12 1 1 A 78 78 CYS CB C 60 31.103 29.081 2.022 1
1 675 . 12 1 1 A 78 78 CYS N N 60 126.244 123.970 2.274 1
1 676 . 12 1 1 A 79 79 ASP H H 61 8.570 7.996 0.574 1
1 677 . 12 1 1 A 79 79 ASP HA H 61 4.765 4.735 0.030 1
1 680 . 12 1 1 A 79 79 ASP CA C 61 52.464 55.569 -3.105 1
1 681 . 12 1 1 A 79 79 ASP CB C 61 40.598 39.758 0.840 1
1 682 . 12 1 1 A 79 79 ASP N N 61 123.037 117.692 5.345 1
1 683 . 12 1 1 A 80 80 PRO HA H 62 4.351 4.539 -0.188 1
1 690 . 12 1 1 A 80 80 PRO C C 62 175.296 176.758 -1.462 1
1 691 . 12 1 1 A 80 80 PRO CA C 62 63.419 62.827 0.592 1
1 692 . 12 1 1 A 80 80 PRO CB C 62 31.963 32.081 -0.118 1
1 695 . 12 1 1 A 81 81 HIS H H 63 8.283 8.393 -0.110 1
1 696 . 12 1 1 A 81 81 HIS HA H 63 4.737 4.813 -0.076 1
1 697 . 12 1 1 A 81 81 HIS CA C 63 54.272 54.702 -0.430 1
1 698 . 12 1 1 A 81 81 HIS N N 63 122.934 118.819 4.115 1
1 1 . 13 1 1 A 20 20 LYS HA H 2 4.205 4.402 -0.197 1
1 8 . 13 1 1 A 20 20 LYS C C 2 176.538 175.727 0.811 1
1 9 . 13 1 1 A 20 20 LYS CA C 2 56.364 55.813 0.551 1
1 10 . 13 1 1 A 20 20 LYS CB C 2 30.708 31.894 -1.186 1
1 13 . 13 1 1 A 21 21 ARG H H 3 8.541 8.418 0.123 1
1 14 . 13 1 1 A 21 21 ARG N N 3 120.785 124.507 -3.722 1
1 15 . 13 1 1 A 22 22 ALA HA H 4 4.082 3.824 0.258 1
1 19 . 13 1 1 A 22 22 ALA CA C 4 54.047 55.007 -0.960 1
1 20 . 13 1 1 A 22 22 ALA CB C 4 18.824 17.790 1.034 1
1 21 . 13 1 1 A 23 23 ALA HA H 5 4.177 4.157 0.020 1
1 25 . 13 1 1 A 23 23 ALA C C 5 178.940 179.787 -0.847 1
1 26 . 13 1 1 A 23 23 ALA CA C 5 53.798 55.080 -1.282 1
1 27 . 13 1 1 A 23 23 ALA CB C 5 18.753 18.306 0.447 1
1 28 . 13 1 1 A 24 24 ALA H H 6 7.783 7.817 -0.034 1
1 29 . 13 1 1 A 24 24 ALA HA H 6 4.007 4.187 -0.180 1
1 33 . 13 1 1 A 24 24 ALA C C 6 178.203 179.644 -1.441 1
1 34 . 13 1 1 A 24 24 ALA CA C 6 54.590 54.933 -0.343 1
1 35 . 13 1 1 A 24 24 ALA CB C 6 18.494 18.177 0.317 1
1 36 . 13 1 1 A 24 24 ALA N N 6 121.484 120.860 0.624 1
1 37 . 13 1 1 A 25 25 LYS H H 7 7.921 7.760 0.161 1
1 38 . 13 1 1 A 25 25 LYS HA H 7 3.723 3.884 -0.161 1
1 47 . 13 1 1 A 25 25 LYS C C 7 178.121 179.230 -1.109 1
1 48 . 13 1 1 A 25 25 LYS CA C 7 59.475 58.704 0.771 1
1 49 . 13 1 1 A 25 25 LYS CB C 7 32.382 31.662 0.720 1
1 53 . 13 1 1 A 25 25 LYS N N 7 117.083 118.908 -1.825 1
1 54 . 13 1 1 A 26 26 HIS H H 8 7.810 7.763 0.047 1
1 55 . 13 1 1 A 26 26 HIS HA H 8 4.327 4.372 -0.045 1
1 58 . 13 1 1 A 26 26 HIS C C 8 175.774 177.895 -2.121 1
1 59 . 13 1 1 A 26 26 HIS CA C 8 58.657 59.926 -1.269 1
1 60 . 13 1 1 A 26 26 HIS CB C 8 30.271 31.315 -1.044 1
1 61 . 13 1 1 A 26 26 HIS N N 8 117.117 118.026 -0.909 1
1 62 . 13 1 1 A 27 27 LEU H H 9 7.710 8.309 -0.599 1
1 63 . 13 1 1 A 27 27 LEU HA H 9 3.921 3.842 0.079 1
1 72 . 13 1 1 A 27 27 LEU C C 9 178.585 178.960 -0.375 1
1 73 . 13 1 1 A 27 27 LEU CA C 9 58.002 58.246 -0.244 1
1 74 . 13 1 1 A 27 27 LEU CB C 9 42.288 42.022 0.266 1
1 77 . 13 1 1 A 27 27 LEU N N 9 120.717 119.670 1.047 1
1 78 . 13 1 1 A 28 28 ILE H H 10 8.559 8.127 0.432 1
1 79 . 13 1 1 A 28 28 ILE HA H 10 3.656 3.754 -0.098 1
1 89 . 13 1 1 A 28 28 ILE C C 10 178.148 178.437 -0.289 1
1 90 . 13 1 1 A 28 28 ILE CA C 10 66.845 65.271 1.574 1
1 91 . 13 1 1 A 28 28 ILE CB C 10 37.913 37.643 0.270 1
1 95 . 13 1 1 A 28 28 ILE N N 10 120.086 120.174 -0.088 1
1 96 . 13 1 1 A 29 29 GLU H H 11 7.849 8.085 -0.236 1
1 97 . 13 1 1 A 29 29 GLU HA H 11 4.013 4.156 -0.143 1
1 102 . 13 1 1 A 29 29 GLU C C 11 179.376 179.227 0.149 1
1 103 . 13 1 1 A 29 29 GLU CA C 11 59.584 59.416 0.168 1
1 104 . 13 1 1 A 29 29 GLU CB C 11 29.070 29.372 -0.302 1
1 106 . 13 1 1 A 29 29 GLU N N 11 118.346 121.318 -2.972 1
1 107 . 13 1 1 A 30 30 ARG H H 12 7.839 7.672 0.167 1
1 108 . 13 1 1 A 30 30 ARG HA H 12 4.064 4.013 0.051 1
1 115 . 13 1 1 A 30 30 ARG C C 12 180.318 178.660 1.658 1
1 116 . 13 1 1 A 30 30 ARG CA C 12 59.585 59.555 0.030 1
1 117 . 13 1 1 A 30 30 ARG CB C 12 29.234 29.987 -0.753 1
1 120 . 13 1 1 A 30 30 ARG N N 12 120.904 119.184 1.720 1
1 121 . 13 1 1 A 31 31 TYR H H 13 8.545 8.059 0.486 1
1 122 . 13 1 1 A 31 31 TYR HA H 13 4.064 4.289 -0.225 1
1 129 . 13 1 1 A 31 31 TYR C C 13 177.725 178.692 -0.967 1
1 130 . 13 1 1 A 31 31 TYR CA C 13 63.351 60.002 3.349 1
1 131 . 13 1 1 A 31 31 TYR CB C 13 38.623 37.789 0.834 1
1 134 . 13 1 1 A 31 31 TYR N N 13 120.393 119.760 0.633 1
1 135 . 13 1 1 A 32 32 TYR H H 14 8.783 8.717 0.066 1
1 136 . 13 1 1 A 32 32 TYR HA H 14 3.948 4.261 -0.313 1
1 143 . 13 1 1 A 32 32 TYR C C 14 178.599 177.333 1.266 1
1 144 . 13 1 1 A 32 32 TYR CA C 14 62.669 61.965 0.704 1
1 145 . 13 1 1 A 32 32 TYR CB C 14 38.350 38.734 -0.384 1
1 148 . 13 1 1 A 32 32 TYR N N 14 120.342 119.653 0.689 1
1 149 . 13 1 1 A 33 33 HIS H H 15 8.740 8.390 0.350 1
1 150 . 13 1 1 A 33 33 HIS HA H 15 3.906 4.149 -0.243 1
1 153 . 13 1 1 A 33 33 HIS C C 15 177.834 176.737 1.097 1
1 154 . 13 1 1 A 33 33 HIS CA C 15 60.622 60.196 0.426 1
1 155 . 13 1 1 A 33 33 HIS CB C 15 30.599 29.457 1.142 1
1 156 . 13 1 1 A 33 33 HIS N N 15 121.297 119.654 1.643 1
1 157 . 13 1 1 A 34 34 GLN H H 16 8.371 8.291 0.080 1
1 158 . 13 1 1 A 34 34 GLN HA H 16 3.709 3.908 -0.199 1
1 165 . 13 1 1 A 34 34 GLN C C 16 176.238 178.491 -2.253 1
1 166 . 13 1 1 A 34 34 GLN CA C 16 60.185 58.679 1.506 1
1 167 . 13 1 1 A 34 34 GLN CB C 16 30.653 28.162 2.491 1
1 169 . 13 1 1 A 34 34 GLN N N 16 122.576 118.265 4.311 1
1 171 . 13 1 1 A 35 35 LEU H H 17 7.916 7.811 0.105 1
1 172 . 13 1 1 A 35 35 LEU HA H 17 3.978 3.683 0.295 1
1 182 . 13 1 1 A 35 35 LEU C C 17 175.624 178.897 -3.273 1
1 183 . 13 1 1 A 35 35 LEU CA C 17 56.377 57.600 -1.223 1
1 184 . 13 1 1 A 35 35 LEU CB C 17 45.098 42.354 2.744 1
1 188 . 13 1 1 A 35 35 LEU N N 17 116.299 119.656 -3.357 1
1 189 . 13 1 1 A 36 36 THR H H 18 7.148 7.963 -0.815 1
1 190 . 13 1 1 A 36 36 THR HA H 18 4.215 3.971 0.244 1
1 195 . 13 1 1 A 36 36 THR C C 18 174.709 177.137 -2.428 1
1 196 . 13 1 1 A 36 36 THR CA C 18 61.522 65.149 -3.627 1
1 197 . 13 1 1 A 36 36 THR CB C 18 70.434 68.036 2.398 1
1 199 . 13 1 1 A 36 36 THR N N 18 105.023 109.992 -4.969 1
1 200 . 13 1 1 A 37 37 GLU H H 19 8.234 7.705 0.529 1
1 201 . 13 1 1 A 37 37 GLU HA H 19 4.187 3.999 0.188 1
1 206 . 13 1 1 A 37 37 GLU C C 19 177.657 177.145 0.512 1
1 207 . 13 1 1 A 37 37 GLU CA C 19 56.855 56.696 0.159 1
1 208 . 13 1 1 A 37 37 GLU CB C 19 30.872 29.739 1.133 1
1 210 . 13 1 1 A 37 37 GLU N N 19 122.559 120.889 1.670 1
1 211 . 13 1 1 A 38 38 GLY H H 20 7.485 7.746 -0.261 1
1 212 . 13 1 1 A 38 38 GLY HA2 H 20 4.586 3.897 0.689 1
1 213 . 13 1 1 A 38 38 GLY HA3 H 20 4.358 3.933 0.425 1
1 214 . 13 1 1 A 38 38 GLY C C 20 172.976 174.375 -1.399 1
1 215 . 13 1 1 A 38 38 GLY CA C 20 44.177 45.644 -1.467 1
1 216 . 13 1 1 A 38 38 GLY N N 20 107.019 106.145 0.874 1
1 217 . 13 1 1 A 39 39 CYS H H 21 7.410 8.185 -0.775 1
1 218 . 13 1 1 A 39 39 CYS HA H 21 4.498 4.676 -0.178 1
1 221 . 13 1 1 A 39 39 CYS C C 21 176.865 176.006 0.859 1
1 222 . 13 1 1 A 39 39 CYS CA C 21 58.493 58.439 0.054 1
1 223 . 13 1 1 A 39 39 CYS CB C 21 31.636 29.373 2.263 1
1 224 . 13 1 1 A 39 39 CYS N N 21 118.260 122.873 -4.613 1
1 225 . 13 1 1 A 40 40 GLY H H 22 8.670 8.207 0.463 1
1 226 . 13 1 1 A 40 40 GLY HA2 H 22 4.260 3.942 0.318 1
1 227 . 13 1 1 A 40 40 GLY HA3 H 22 3.505 3.952 -0.447 1
1 228 . 13 1 1 A 40 40 GLY C C 22 173.618 174.395 -0.777 1
1 229 . 13 1 1 A 40 40 GLY CA C 22 45.188 45.190 -0.002 1
1 230 . 13 1 1 A 40 40 GLY N N 22 112.324 110.878 1.446 1
1 231 . 13 1 1 A 41 41 ASN H H 23 8.379 7.993 0.386 1
1 232 . 13 1 1 A 41 41 ASN HA H 23 4.452 4.589 -0.137 1
1 237 . 13 1 1 A 41 41 ASN C C 23 175.132 176.561 -1.429 1
1 238 . 13 1 1 A 41 41 ASN CA C 23 52.106 53.952 -1.846 1
1 239 . 13 1 1 A 41 41 ASN CB C 23 38.678 39.673 -0.995 1
1 240 . 13 1 1 A 41 41 ASN N N 23 122.184 119.800 2.384 1
1 242 . 13 1 1 A 42 42 GLU H H 24 8.769 8.790 -0.021 1
1 243 . 13 1 1 A 42 42 GLU HA H 24 4.167 4.045 0.122 1
1 248 . 13 1 1 A 42 42 GLU C C 24 175.801 176.936 -1.135 1
1 249 . 13 1 1 A 42 42 GLU CA C 24 57.947 59.401 -1.454 1
1 250 . 13 1 1 A 42 42 GLU CB C 24 29.016 28.997 0.019 1
1 252 . 13 1 1 A 42 42 GLU N N 24 124.589 126.124 -1.535 1
1 253 . 13 1 1 A 43 43 ALA H H 25 7.839 7.577 0.262 1
1 254 . 13 1 1 A 43 43 ALA HA H 25 4.381 4.422 -0.041 1
1 258 . 13 1 1 A 43 43 ALA C C 25 175.842 176.956 -1.114 1
1 259 . 13 1 1 A 43 43 ALA CA C 25 50.319 51.407 -1.088 1
1 260 . 13 1 1 A 43 43 ALA CB C 25 18.563 18.580 -0.017 1
1 261 . 13 1 1 A 43 43 ALA N N 25 121.706 120.071 1.635 1
1 262 . 13 1 1 A 44 44 CYS H H 26 7.350 7.585 -0.235 1
1 263 . 13 1 1 A 44 44 CYS HA H 26 3.757 4.530 -0.773 1
1 266 . 13 1 1 A 44 44 CYS C C 26 176.019 176.570 -0.551 1
1 267 . 13 1 1 A 44 44 CYS CA C 26 62.696 59.270 3.426 1
1 268 . 13 1 1 A 44 44 CYS CB C 26 29.671 28.385 1.286 1
1 269 . 13 1 1 A 44 44 CYS N N 26 124.265 118.448 5.817 1
1 270 . 13 1 1 A 45 45 THR H H 27 7.872 8.623 -0.751 1
1 271 . 13 1 1 A 45 45 THR HA H 27 4.511 4.282 0.229 1
1 276 . 13 1 1 A 45 45 THR C C 27 174.969 174.553 0.416 1
1 277 . 13 1 1 A 45 45 THR CA C 27 61.113 64.102 -2.989 1
1 278 . 13 1 1 A 45 45 THR CB C 27 69.834 69.241 0.593 1
1 280 . 13 1 1 A 45 45 THR N N 27 115.292 118.185 -2.893 1
1 281 . 13 1 1 A 46 46 ASN H H 28 9.336 7.822 1.514 1
1 282 . 13 1 1 A 46 46 ASN HA H 28 4.430 4.596 -0.166 1
1 287 . 13 1 1 A 46 46 ASN C C 28 174.273 176.380 -2.107 1
1 288 . 13 1 1 A 46 46 ASN CA C 28 53.144 53.278 -0.134 1
1 289 . 13 1 1 A 46 46 ASN CB C 28 38.500 39.529 -1.029 1
1 290 . 13 1 1 A 46 46 ASN N N 28 127.779 120.331 7.448 1
1 292 . 13 1 1 A 47 47 GLU H H 29 8.499 8.680 -0.181 1
1 293 . 13 1 1 A 47 47 GLU HA H 29 4.006 4.054 -0.048 1
1 298 . 13 1 1 A 47 47 GLU C C 29 175.815 177.147 -1.332 1
1 299 . 13 1 1 A 47 47 GLU CA C 29 58.111 58.438 -0.327 1
1 300 . 13 1 1 A 47 47 GLU CB C 29 29.070 28.886 0.184 1
1 302 . 13 1 1 A 47 47 GLU N N 29 123.804 125.618 -1.814 1
1 303 . 13 1 1 A 48 48 PHE H H 30 7.423 7.525 -0.102 1
1 304 . 13 1 1 A 48 48 PHE HA H 30 4.860 4.773 0.087 1
1 311 . 13 1 1 A 48 48 PHE C C 30 171.980 174.684 -2.704 1
1 312 . 13 1 1 A 48 48 PHE CA C 30 56.336 57.621 -1.285 1
1 313 . 13 1 1 A 48 48 PHE CB C 30 38.132 38.453 -0.321 1
1 316 . 13 1 1 A 48 48 PHE N N 30 117.186 118.134 -0.948 1
1 317 . 13 1 1 A 49 49 CYS H H 31 7.420 7.610 -0.190 1
1 318 . 13 1 1 A 49 49 CYS HA H 31 4.264 4.955 -0.691 1
1 321 . 13 1 1 A 49 49 CYS C C 31 174.436 172.970 1.466 1
1 322 . 13 1 1 A 49 49 CYS CA C 31 57.047 57.400 -0.353 1
1 323 . 13 1 1 A 49 49 CYS CB C 31 33.492 31.016 2.476 1
1 324 . 13 1 1 A 49 49 CYS N N 31 121.843 118.328 3.515 1
1 325 . 13 1 1 A 50 50 ALA H H 32 7.949 8.362 -0.413 1
1 326 . 13 1 1 A 50 50 ALA HA H 32 2.992 4.078 -1.086 1
1 330 . 13 1 1 A 50 50 ALA C C 32 178.762 178.239 0.523 1
1 331 . 13 1 1 A 50 50 ALA CA C 32 53.007 51.936 1.071 1
1 332 . 13 1 1 A 50 50 ALA CB C 32 17.007 19.546 -2.539 1
1 333 . 13 1 1 A 50 50 ALA N N 32 128.103 127.188 0.915 1
1 334 . 13 1 1 A 51 51 SER H H 33 9.507 8.932 0.575 1
1 335 . 13 1 1 A 51 51 SER HA H 33 4.299 4.157 0.142 1
1 338 . 13 1 1 A 51 51 SER C C 33 173.399 172.950 0.449 1
1 339 . 13 1 1 A 51 51 SER CA C 33 60.840 59.570 1.270 1
1 340 . 13 1 1 A 51 51 SER CB C 33 63.679 62.722 0.957 1
1 341 . 13 1 1 A 51 51 SER N N 33 119.062 114.682 4.380 1
1 342 . 13 1 1 A 52 52 CYS H H 34 7.978 7.933 0.045 1
1 343 . 13 1 1 A 52 52 CYS HA H 34 4.652 4.799 -0.147 1
1 346 . 13 1 1 A 52 52 CYS CA C 34 55.835 57.224 -1.389 1
1 347 . 13 1 1 A 52 52 CYS CB C 34 27.879 28.892 -1.013 1
1 348 . 13 1 1 A 52 52 CYS N N 34 124.589 119.891 4.698 1
1 349 . 13 1 1 A 53 53 PRO HA H 35 4.393 4.439 -0.046 1
1 356 . 13 1 1 A 53 53 PRO C C 35 177.889 177.518 0.371 1
1 357 . 13 1 1 A 53 53 PRO CA C 35 65.180 64.398 0.782 1
1 358 . 13 1 1 A 53 53 PRO CB C 35 32.850 32.130 0.720 1
1 361 . 13 1 1 A 54 54 THR H H 36 7.507 7.637 -0.130 1
1 362 . 13 1 1 A 54 54 THR HA H 36 4.314 4.302 0.012 1
1 367 . 13 1 1 A 54 54 THR C C 36 174.177 174.987 -0.810 1
1 368 . 13 1 1 A 54 54 THR CA C 36 61.195 62.395 -1.200 1
1 369 . 13 1 1 A 54 54 THR CB C 36 68.101 69.186 -1.085 1
1 371 . 13 1 1 A 54 54 THR N N 36 107.002 107.931 -0.929 1
1 372 . 13 1 1 A 55 55 PHE H H 37 7.716 7.404 0.312 1
1 373 . 13 1 1 A 55 55 PHE HA H 37 4.204 4.470 -0.266 1
1 380 . 13 1 1 A 55 55 PHE C C 37 175.228 174.484 0.744 1
1 381 . 13 1 1 A 55 55 PHE CA C 37 58.875 59.347 -0.472 1
1 382 . 13 1 1 A 55 55 PHE CB C 37 40.942 39.778 1.164 1
1 385 . 13 1 1 A 55 55 PHE N N 37 124.794 124.477 0.317 1
1 386 . 13 1 1 A 56 56 LEU H H 38 7.490 8.587 -1.097 1
1 387 . 13 1 1 A 56 56 LEU HA H 38 4.310 4.542 -0.232 1
1 397 . 13 1 1 A 56 56 LEU C C 38 174.300 175.708 -1.408 1
1 398 . 13 1 1 A 56 56 LEU CA C 38 53.416 52.877 0.539 1
1 399 . 13 1 1 A 56 56 LEU CB C 38 41.386 42.609 -1.223 1
1 403 . 13 1 1 A 56 56 LEU N N 38 130.713 126.835 3.878 1
1 404 . 13 1 1 A 57 57 ARG H H 39 7.930 8.339 -0.409 1
1 405 . 13 1 1 A 57 57 ARG HA H 39 3.994 4.286 -0.292 1
1 412 . 13 1 1 A 57 57 ARG CA C 39 57.374 55.416 1.958 1
1 413 . 13 1 1 A 57 57 ARG CB C 39 30.517 29.547 0.970 1
1 416 . 13 1 1 A 57 57 ARG N N 39 122.866 124.843 -1.977 1
1 417 . 13 1 1 A 58 58 MET H H 40 8.408 8.089 0.319 1
1 418 . 13 1 1 A 58 58 MET HA H 40 4.706 4.599 0.107 1
1 423 . 13 1 1 A 58 58 MET C C 40 175.160 175.962 -0.802 1
1 424 . 13 1 1 A 58 58 MET CA C 40 53.908 54.729 -0.821 1
1 425 . 13 1 1 A 58 58 MET CB C 40 36.603 34.575 2.028 1
1 427 . 13 1 1 A 58 58 MET N N 40 121.024 123.793 -2.769 1
1 428 . 13 1 1 A 59 59 ASP H H 41 8.419 8.647 -0.228 1
1 429 . 13 1 1 A 59 59 ASP HA H 41 4.588 4.772 -0.184 1
1 432 . 13 1 1 A 59 59 ASP CA C 41 53.699 52.887 0.812 1
1 433 . 13 1 1 A 59 59 ASP CB C 41 41.540 41.544 -0.004 1
1 434 . 13 1 1 A 59 59 ASP N N 41 120.478 120.311 0.167 1
1 435 . 13 1 1 A 60 60 ASN HA H 42 4.317 4.453 -0.136 1
1 440 . 13 1 1 A 60 60 ASN C C 42 177.739 177.931 -0.192 1
1 441 . 13 1 1 A 60 60 ASN CA C 42 56.637 56.001 0.636 1
1 442 . 13 1 1 A 60 60 ASN CB C 42 37.586 37.653 -0.067 1
1 444 . 13 1 1 A 61 61 ASN H H 43 8.442 7.659 0.783 1
1 445 . 13 1 1 A 61 61 ASN HA H 43 4.450 4.585 -0.135 1
1 448 . 13 1 1 A 61 61 ASN C C 43 177.439 177.496 -0.057 1
1 449 . 13 1 1 A 61 61 ASN CA C 43 56.528 56.286 0.242 1
1 450 . 13 1 1 A 61 61 ASN CB C 43 38.023 38.028 -0.005 1
1 451 . 13 1 1 A 61 61 ASN N N 43 118.960 119.054 -0.094 1
1 452 . 13 1 1 A 62 62 ALA H H 44 8.229 7.929 0.300 1
1 453 . 13 1 1 A 62 62 ALA HA H 44 4.102 4.228 -0.126 1
1 457 . 13 1 1 A 62 62 ALA C C 44 180.973 180.373 0.600 1
1 458 . 13 1 1 A 62 62 ALA CA C 44 54.672 54.725 -0.053 1
1 459 . 13 1 1 A 62 62 ALA CB C 44 18.466 18.371 0.095 1
1 460 . 13 1 1 A 62 62 ALA N N 44 123.651 122.946 0.705 1
1 461 . 13 1 1 A 63 63 ALA H H 45 8.779 8.078 0.701 1
1 462 . 13 1 1 A 63 63 ALA HA H 45 4.238 4.320 -0.082 1
1 466 . 13 1 1 A 63 63 ALA C C 45 178.680 179.773 -1.093 1
1 467 . 13 1 1 A 63 63 ALA CA C 45 54.945 54.957 -0.012 1
1 468 . 13 1 1 A 63 63 ALA CB C 45 18.685 18.284 0.401 1
1 469 . 13 1 1 A 63 63 ALA N N 45 121.928 120.173 1.755 1
1 470 . 13 1 1 A 64 64 ALA H H 46 8.024 7.992 0.032 1
1 471 . 13 1 1 A 64 64 ALA HA H 46 4.109 4.254 -0.145 1
1 475 . 13 1 1 A 64 64 ALA C C 46 179.731 179.760 -0.029 1
1 476 . 13 1 1 A 64 64 ALA CA C 46 55.873 55.189 0.684 1
1 477 . 13 1 1 A 64 64 ALA CB C 46 17.853 18.449 -0.596 1
1 478 . 13 1 1 A 64 64 ALA N N 46 121.126 120.041 1.085 1
1 479 . 13 1 1 A 65 65 ILE H H 47 7.220 7.814 -0.594 1
1 480 . 13 1 1 A 65 65 ILE HA H 47 3.740 3.629 0.111 1
1 490 . 13 1 1 A 65 65 ILE C C 47 179.049 178.220 0.829 1
1 491 . 13 1 1 A 65 65 ILE CA C 47 64.061 65.475 -1.414 1
1 492 . 13 1 1 A 65 65 ILE CB C 47 38.528 37.772 0.756 1
1 496 . 13 1 1 A 65 65 ILE N N 47 117.953 118.376 -0.423 1
1 497 . 13 1 1 A 66 66 LYS H H 48 8.363 8.014 0.349 1
1 498 . 13 1 1 A 66 66 LYS HA H 48 4.062 4.032 0.030 1
1 507 . 13 1 1 A 66 66 LYS C C 48 177.739 178.832 -1.093 1
1 508 . 13 1 1 A 66 66 LYS CA C 48 57.074 58.569 -1.495 1
1 509 . 13 1 1 A 66 66 LYS CB C 48 31.472 31.785 -0.313 1
1 513 . 13 1 1 A 66 66 LYS N N 48 121.894 121.103 0.791 1
1 514 . 13 1 1 A 67 67 ALA H H 49 8.730 8.276 0.454 1
1 515 . 13 1 1 A 67 67 ALA HA H 49 3.682 4.149 -0.467 1
1 519 . 13 1 1 A 67 67 ALA C C 49 178.339 180.434 -2.095 1
1 520 . 13 1 1 A 67 67 ALA CA C 49 56.037 55.158 0.879 1
1 521 . 13 1 1 A 67 67 ALA CB C 49 18.126 18.348 -0.222 1
1 522 . 13 1 1 A 67 67 ALA N N 49 121.723 122.276 -0.553 1
1 523 . 13 1 1 A 68 68 LEU H H 50 6.888 7.985 -1.097 1
1 524 . 13 1 1 A 68 68 LEU HA H 50 4.020 4.059 -0.039 1
1 534 . 13 1 1 A 68 68 LEU C C 50 178.776 179.302 -0.526 1
1 535 . 13 1 1 A 68 68 LEU CA C 50 57.892 57.752 0.140 1
1 536 . 13 1 1 A 68 68 LEU CB C 50 41.832 41.336 0.496 1
1 540 . 13 1 1 A 68 68 LEU N N 50 115.156 119.637 -4.481 1
1 541 . 13 1 1 A 69 69 GLU H H 51 7.216 7.851 -0.635 1
1 542 . 13 1 1 A 69 69 GLU HA H 51 3.836 4.020 -0.184 1
1 547 . 13 1 1 A 69 69 GLU C C 51 178.721 179.432 -0.711 1
1 548 . 13 1 1 A 69 69 GLU CA C 51 59.257 59.253 0.004 1
1 549 . 13 1 1 A 69 69 GLU CB C 51 29.343 29.538 -0.195 1
1 551 . 13 1 1 A 69 69 GLU N N 51 119.727 119.172 0.555 1
1 552 . 13 1 1 A 70 70 LEU H H 52 8.326 8.144 0.182 1
1 553 . 13 1 1 A 70 70 LEU HA H 52 3.501 3.696 -0.195 1
1 563 . 13 1 1 A 70 70 LEU C C 52 178.421 178.314 0.107 1
1 564 . 13 1 1 A 70 70 LEU CA C 52 56.814 57.065 -0.251 1
1 565 . 13 1 1 A 70 70 LEU CB C 52 39.497 40.840 -1.343 1
1 569 . 13 1 1 A 70 70 LEU N N 52 117.442 119.236 -1.794 1
1 570 . 13 1 1 A 71 71 TYR H H 53 7.440 8.019 -0.579 1
1 571 . 13 1 1 A 71 71 TYR HA H 53 4.010 4.079 -0.069 1
1 578 . 13 1 1 A 71 71 TYR C C 53 177.602 177.788 -0.186 1
1 579 . 13 1 1 A 71 71 TYR CA C 53 60.751 61.599 -0.848 1
1 580 . 13 1 1 A 71 71 TYR CB C 53 38.221 38.572 -0.351 1
1 583 . 13 1 1 A 71 71 TYR N N 53 118.670 119.962 -1.292 1
1 584 . 13 1 1 A 72 72 LYS H H 54 7.720 8.140 -0.420 1
1 585 . 13 1 1 A 72 72 LYS HA H 54 3.543 3.830 -0.287 1
1 594 . 13 1 1 A 72 72 LYS C C 54 178.216 177.420 0.796 1
1 595 . 13 1 1 A 72 72 LYS CA C 54 59.475 58.751 0.724 1
1 596 . 13 1 1 A 72 72 LYS CB C 54 32.400 31.894 0.506 1
1 600 . 13 1 1 A 72 72 LYS N N 54 120.512 118.159 2.353 1
1 601 . 13 1 1 A 73 73 ILE H H 55 7.265 7.119 0.146 1
1 602 . 13 1 1 A 73 73 ILE HA H 55 4.327 4.119 0.208 1
1 610 . 13 1 1 A 73 73 ILE CA C 55 60.625 60.505 0.120 1
1 611 . 13 1 1 A 73 73 ILE CB C 55 38.244 37.517 0.727 1
1 614 . 13 1 1 A 73 73 ILE N N 55 109.032 115.537 -6.505 1
1 615 . 13 1 1 A 74 74 ASN HA H 56 4.225 4.349 -0.124 1
1 620 . 13 1 1 A 74 74 ASN C C 56 174.532 174.752 -0.220 1
1 621 . 13 1 1 A 74 74 ASN CA C 56 53.853 54.382 -0.529 1
1 622 . 13 1 1 A 74 74 ASN CB C 56 37.027 36.863 0.164 1
1 624 . 13 1 1 A 75 75 ALA H H 57 7.653 7.622 0.031 1
1 625 . 13 1 1 A 75 75 ALA HA H 57 4.126 4.363 -0.237 1
1 629 . 13 1 1 A 75 75 ALA C C 57 177.848 177.245 0.603 1
1 630 . 13 1 1 A 75 75 ALA CA C 57 51.969 52.258 -0.289 1
1 631 . 13 1 1 A 75 75 ALA CB C 57 20.500 19.746 0.754 1
1 632 . 13 1 1 A 75 75 ALA N N 57 119.216 118.881 0.335 1
1 633 . 13 1 1 A 76 76 LYS H H 58 8.612 8.487 0.125 1
1 634 . 13 1 1 A 76 76 LYS HA H 58 3.999 4.267 -0.268 1
1 643 . 13 1 1 A 76 76 LYS C C 58 176.142 176.423 -0.281 1
1 644 . 13 1 1 A 76 76 LYS CA C 58 58.220 56.515 1.705 1
1 645 . 13 1 1 A 76 76 LYS CB C 58 32.673 32.691 -0.018 1
1 649 . 13 1 1 A 76 76 LYS N N 58 122.696 119.201 3.495 1
1 650 . 13 1 1 A 77 77 LEU H H 59 8.427 8.952 -0.525 1
1 651 . 13 1 1 A 77 77 LEU HA H 59 4.954 4.538 0.416 1
1 661 . 13 1 1 A 77 77 LEU C C 59 177.712 177.105 0.607 1
1 662 . 13 1 1 A 77 77 LEU CA C 59 52.843 54.425 -1.582 1
1 663 . 13 1 1 A 77 77 LEU CB C 59 43.611 42.577 1.034 1
1 667 . 13 1 1 A 77 77 LEU N N 59 129.775 126.026 3.749 1
1 668 . 13 1 1 A 78 78 CYS H H 60 8.573 8.768 -0.195 1
1 669 . 13 1 1 A 78 78 CYS HA H 60 3.938 4.702 -0.764 1
1 672 . 13 1 1 A 78 78 CYS C C 60 176.265 173.852 2.413 1
1 673 . 13 1 1 A 78 78 CYS CA C 60 61.768 58.254 3.514 1
1 674 . 13 1 1 A 78 78 CYS CB C 60 31.103 28.465 2.638 1
1 675 . 13 1 1 A 78 78 CYS N N 60 126.244 122.184 4.060 1
1 676 . 13 1 1 A 79 79 ASP H H 61 8.570 7.554 1.016 1
1 677 . 13 1 1 A 79 79 ASP HA H 61 4.765 4.941 -0.176 1
1 680 . 13 1 1 A 79 79 ASP CA C 61 52.464 51.785 0.679 1
1 681 . 13 1 1 A 79 79 ASP CB C 61 40.598 43.537 -2.939 1
1 682 . 13 1 1 A 79 79 ASP N N 61 123.037 118.910 4.127 1
1 683 . 13 1 1 A 80 80 PRO HA H 62 4.351 4.442 -0.091 1
1 690 . 13 1 1 A 80 80 PRO C C 62 175.296 176.925 -1.629 1
1 691 . 13 1 1 A 80 80 PRO CA C 62 63.419 62.801 0.618 1
1 692 . 13 1 1 A 80 80 PRO CB C 62 31.963 31.835 0.128 1
1 695 . 13 1 1 A 81 81 HIS H H 63 8.283 8.319 -0.036 1
1 696 . 13 1 1 A 81 81 HIS HA H 63 4.737 4.618 0.119 1
1 697 . 13 1 1 A 81 81 HIS CA C 63 54.272 55.283 -1.011 1
1 698 . 13 1 1 A 81 81 HIS N N 63 122.934 120.385 2.549 1
1 1 . 14 1 1 A 20 20 LYS HA H 2 4.205 4.399 -0.194 1
1 8 . 14 1 1 A 20 20 LYS C C 2 176.538 175.315 1.223 1
1 9 . 14 1 1 A 20 20 LYS CA C 2 56.364 55.243 1.121 1
1 10 . 14 1 1 A 20 20 LYS CB C 2 30.708 30.846 -0.138 1
1 13 . 14 1 1 A 21 21 ARG H H 3 8.541 7.825 0.716 1
1 14 . 14 1 1 A 21 21 ARG N N 3 120.785 122.151 -1.366 1
1 15 . 14 1 1 A 22 22 ALA HA H 4 4.082 4.138 -0.056 1
1 19 . 14 1 1 A 22 22 ALA CA C 4 54.047 55.537 -1.490 1
1 20 . 14 1 1 A 22 22 ALA CB C 4 18.824 18.282 0.542 1
1 21 . 14 1 1 A 23 23 ALA HA H 5 4.177 3.973 0.204 1
1 25 . 14 1 1 A 23 23 ALA C C 5 178.940 179.536 -0.596 1
1 26 . 14 1 1 A 23 23 ALA CA C 5 53.798 54.949 -1.151 1
1 27 . 14 1 1 A 23 23 ALA CB C 5 18.753 18.300 0.453 1
1 28 . 14 1 1 A 24 24 ALA H H 6 7.783 8.144 -0.361 1
1 29 . 14 1 1 A 24 24 ALA HA H 6 4.007 4.080 -0.073 1
1 33 . 14 1 1 A 24 24 ALA C C 6 178.203 178.905 -0.702 1
1 34 . 14 1 1 A 24 24 ALA CA C 6 54.590 55.353 -0.763 1
1 35 . 14 1 1 A 24 24 ALA CB C 6 18.494 18.515 -0.021 1
1 36 . 14 1 1 A 24 24 ALA N N 6 121.484 120.381 1.103 1
1 37 . 14 1 1 A 25 25 LYS H H 7 7.921 7.954 -0.033 1
1 38 . 14 1 1 A 25 25 LYS HA H 7 3.723 4.031 -0.308 1
1 47 . 14 1 1 A 25 25 LYS C C 7 178.121 179.086 -0.965 1
1 48 . 14 1 1 A 25 25 LYS CA C 7 59.475 59.657 -0.182 1
1 49 . 14 1 1 A 25 25 LYS CB C 7 32.382 32.334 0.048 1
1 53 . 14 1 1 A 25 25 LYS N N 7 117.083 118.803 -1.720 1
1 54 . 14 1 1 A 26 26 HIS H H 8 7.810 8.060 -0.250 1
1 55 . 14 1 1 A 26 26 HIS HA H 8 4.327 4.311 0.016 1
1 58 . 14 1 1 A 26 26 HIS C C 8 175.774 177.965 -2.191 1
1 59 . 14 1 1 A 26 26 HIS CA C 8 58.657 59.048 -0.391 1
1 60 . 14 1 1 A 26 26 HIS CB C 8 30.271 29.728 0.543 1
1 61 . 14 1 1 A 26 26 HIS N N 8 117.117 118.498 -1.381 1
1 62 . 14 1 1 A 27 27 LEU H H 9 7.710 8.353 -0.643 1
1 63 . 14 1 1 A 27 27 LEU HA H 9 3.921 3.868 0.053 1
1 72 . 14 1 1 A 27 27 LEU C C 9 178.585 179.702 -1.117 1
1 73 . 14 1 1 A 27 27 LEU CA C 9 58.002 57.753 0.249 1
1 74 . 14 1 1 A 27 27 LEU CB C 9 42.288 41.174 1.114 1
1 77 . 14 1 1 A 27 27 LEU N N 9 120.717 119.152 1.565 1
1 78 . 14 1 1 A 28 28 ILE H H 10 8.559 7.768 0.791 1
1 79 . 14 1 1 A 28 28 ILE HA H 10 3.656 3.523 0.133 1
1 89 . 14 1 1 A 28 28 ILE C C 10 178.148 177.899 0.249 1
1 90 . 14 1 1 A 28 28 ILE CA C 10 66.845 65.615 1.230 1
1 91 . 14 1 1 A 28 28 ILE CB C 10 37.913 37.566 0.347 1
1 95 . 14 1 1 A 28 28 ILE N N 10 120.086 120.925 -0.839 1
1 96 . 14 1 1 A 29 29 GLU H H 11 7.849 7.765 0.084 1
1 97 . 14 1 1 A 29 29 GLU HA H 11 4.013 4.073 -0.060 1
1 102 . 14 1 1 A 29 29 GLU C C 11 179.376 179.301 0.075 1
1 103 . 14 1 1 A 29 29 GLU CA C 11 59.584 59.330 0.254 1
1 104 . 14 1 1 A 29 29 GLU CB C 11 29.070 29.038 0.032 1
1 106 . 14 1 1 A 29 29 GLU N N 11 118.346 118.626 -0.280 1
1 107 . 14 1 1 A 30 30 ARG H H 12 7.839 7.701 0.138 1
1 108 . 14 1 1 A 30 30 ARG HA H 12 4.064 4.023 0.041 1
1 115 . 14 1 1 A 30 30 ARG C C 12 180.318 178.580 1.738 1
1 116 . 14 1 1 A 30 30 ARG CA C 12 59.585 59.345 0.240 1
1 117 . 14 1 1 A 30 30 ARG CB C 12 29.234 30.210 -0.976 1
1 120 . 14 1 1 A 30 30 ARG N N 12 120.904 120.632 0.272 1
1 121 . 14 1 1 A 31 31 TYR H H 13 8.545 8.023 0.522 1
1 122 . 14 1 1 A 31 31 TYR HA H 13 4.064 4.246 -0.182 1
1 129 . 14 1 1 A 31 31 TYR C C 13 177.725 178.504 -0.779 1
1 130 . 14 1 1 A 31 31 TYR CA C 13 63.351 60.263 3.088 1
1 131 . 14 1 1 A 31 31 TYR CB C 13 38.623 37.951 0.672 1
1 134 . 14 1 1 A 31 31 TYR N N 13 120.393 119.656 0.737 1
1 135 . 14 1 1 A 32 32 TYR H H 14 8.783 8.203 0.580 1
1 136 . 14 1 1 A 32 32 TYR HA H 14 3.948 4.259 -0.311 1
1 143 . 14 1 1 A 32 32 TYR C C 14 178.599 177.333 1.266 1
1 144 . 14 1 1 A 32 32 TYR CA C 14 62.669 62.015 0.654 1
1 145 . 14 1 1 A 32 32 TYR CB C 14 38.350 38.688 -0.338 1
1 148 . 14 1 1 A 32 32 TYR N N 14 120.342 120.560 -0.218 1
1 149 . 14 1 1 A 33 33 HIS H H 15 8.740 8.192 0.548 1
1 150 . 14 1 1 A 33 33 HIS HA H 15 3.906 4.236 -0.330 1
1 153 . 14 1 1 A 33 33 HIS C C 15 177.834 177.040 0.794 1
1 154 . 14 1 1 A 33 33 HIS CA C 15 60.622 59.570 1.052 1
1 155 . 14 1 1 A 33 33 HIS CB C 15 30.599 29.883 0.716 1
1 156 . 14 1 1 A 33 33 HIS N N 15 121.297 119.038 2.259 1
1 157 . 14 1 1 A 34 34 GLN H H 16 8.371 8.200 0.171 1
1 158 . 14 1 1 A 34 34 GLN HA H 16 3.709 3.950 -0.241 1
1 165 . 14 1 1 A 34 34 GLN C C 16 176.238 177.966 -1.728 1
1 166 . 14 1 1 A 34 34 GLN CA C 16 60.185 58.567 1.618 1
1 167 . 14 1 1 A 34 34 GLN CB C 16 30.653 28.297 2.356 1
1 169 . 14 1 1 A 34 34 GLN N N 16 122.576 118.483 4.093 1
1 171 . 14 1 1 A 35 35 LEU H H 17 7.916 7.729 0.187 1
1 172 . 14 1 1 A 35 35 LEU HA H 17 3.978 3.778 0.200 1
1 182 . 14 1 1 A 35 35 LEU C C 17 175.624 179.069 -3.445 1
1 183 . 14 1 1 A 35 35 LEU CA C 17 56.377 57.312 -0.935 1
1 184 . 14 1 1 A 35 35 LEU CB C 17 45.098 41.877 3.221 1
1 188 . 14 1 1 A 35 35 LEU N N 17 116.299 119.301 -3.002 1
1 189 . 14 1 1 A 36 36 THR H H 18 7.148 7.797 -0.649 1
1 190 . 14 1 1 A 36 36 THR HA H 18 4.215 3.976 0.239 1
1 195 . 14 1 1 A 36 36 THR C C 18 174.709 176.912 -2.203 1
1 196 . 14 1 1 A 36 36 THR CA C 18 61.522 65.089 -3.567 1
1 197 . 14 1 1 A 36 36 THR CB C 18 70.434 68.194 2.240 1
1 199 . 14 1 1 A 36 36 THR N N 18 105.023 110.545 -5.522 1
1 200 . 14 1 1 A 37 37 GLU H H 19 8.234 7.725 0.509 1
1 201 . 14 1 1 A 37 37 GLU HA H 19 4.187 4.199 -0.012 1
1 206 . 14 1 1 A 37 37 GLU C C 19 177.657 177.462 0.195 1
1 207 . 14 1 1 A 37 37 GLU CA C 19 56.855 56.636 0.219 1
1 208 . 14 1 1 A 37 37 GLU CB C 19 30.872 30.161 0.711 1
1 210 . 14 1 1 A 37 37 GLU N N 19 122.559 120.057 2.502 1
1 211 . 14 1 1 A 38 38 GLY H H 20 7.485 7.798 -0.313 1
1 212 . 14 1 1 A 38 38 GLY HA2 H 20 4.586 3.924 0.662 1
1 213 . 14 1 1 A 38 38 GLY HA3 H 20 4.358 3.950 0.408 1
1 214 . 14 1 1 A 38 38 GLY C C 20 172.976 174.322 -1.346 1
1 215 . 14 1 1 A 38 38 GLY CA C 20 44.177 44.791 -0.614 1
1 216 . 14 1 1 A 38 38 GLY N N 20 107.019 106.641 0.378 1
1 217 . 14 1 1 A 39 39 CYS H H 21 7.410 8.329 -0.919 1
1 218 . 14 1 1 A 39 39 CYS HA H 21 4.498 4.734 -0.236 1
1 221 . 14 1 1 A 39 39 CYS C C 21 176.865 176.147 0.718 1
1 222 . 14 1 1 A 39 39 CYS CA C 21 58.493 58.394 0.099 1
1 223 . 14 1 1 A 39 39 CYS CB C 21 31.636 28.963 2.673 1
1 224 . 14 1 1 A 39 39 CYS N N 21 118.260 121.636 -3.376 1
1 225 . 14 1 1 A 40 40 GLY H H 22 8.670 8.109 0.561 1
1 226 . 14 1 1 A 40 40 GLY HA2 H 22 4.260 3.959 0.301 1
1 227 . 14 1 1 A 40 40 GLY HA3 H 22 3.505 3.966 -0.461 1
1 228 . 14 1 1 A 40 40 GLY C C 22 173.618 174.348 -0.730 1
1 229 . 14 1 1 A 40 40 GLY CA C 22 45.188 45.539 -0.351 1
1 230 . 14 1 1 A 40 40 GLY N N 22 112.324 110.183 2.141 1
1 231 . 14 1 1 A 41 41 ASN H H 23 8.379 7.814 0.565 1
1 232 . 14 1 1 A 41 41 ASN HA H 23 4.452 4.610 -0.158 1
1 237 . 14 1 1 A 41 41 ASN C C 23 175.132 176.774 -1.642 1
1 238 . 14 1 1 A 41 41 ASN CA C 23 52.106 54.006 -1.900 1
1 239 . 14 1 1 A 41 41 ASN CB C 23 38.678 39.381 -0.703 1
1 240 . 14 1 1 A 41 41 ASN N N 23 122.184 120.129 2.055 1
1 242 . 14 1 1 A 42 42 GLU H H 24 8.769 8.747 0.022 1
1 243 . 14 1 1 A 42 42 GLU HA H 24 4.167 4.450 -0.283 1
1 248 . 14 1 1 A 42 42 GLU C C 24 175.801 177.129 -1.328 1
1 249 . 14 1 1 A 42 42 GLU CA C 24 57.947 59.002 -1.055 1
1 250 . 14 1 1 A 42 42 GLU CB C 24 29.016 28.900 0.116 1
1 252 . 14 1 1 A 42 42 GLU N N 24 124.589 126.032 -1.443 1
1 253 . 14 1 1 A 43 43 ALA H H 25 7.839 7.530 0.309 1
1 254 . 14 1 1 A 43 43 ALA HA H 25 4.381 4.415 -0.034 1
1 258 . 14 1 1 A 43 43 ALA C C 25 175.842 176.830 -0.988 1
1 259 . 14 1 1 A 43 43 ALA CA C 25 50.319 51.911 -1.592 1
1 260 . 14 1 1 A 43 43 ALA CB C 25 18.563 18.544 0.019 1
1 261 . 14 1 1 A 43 43 ALA N N 25 121.706 120.533 1.173 1
1 262 . 14 1 1 A 44 44 CYS H H 26 7.350 7.529 -0.179 1
1 263 . 14 1 1 A 44 44 CYS HA H 26 3.757 4.851 -1.094 1
1 266 . 14 1 1 A 44 44 CYS C C 26 176.019 175.662 0.357 1
1 267 . 14 1 1 A 44 44 CYS CA C 26 62.696 58.581 4.115 1
1 268 . 14 1 1 A 44 44 CYS CB C 26 29.671 29.092 0.579 1
1 269 . 14 1 1 A 44 44 CYS N N 26 124.265 118.288 5.977 1
1 270 . 14 1 1 A 45 45 THR H H 27 7.872 8.709 -0.837 1
1 271 . 14 1 1 A 45 45 THR HA H 27 4.511 4.504 0.007 1
1 276 . 14 1 1 A 45 45 THR C C 27 174.969 173.915 1.054 1
1 277 . 14 1 1 A 45 45 THR CA C 27 61.113 62.622 -1.509 1
1 278 . 14 1 1 A 45 45 THR CB C 27 69.834 69.091 0.743 1
1 280 . 14 1 1 A 45 45 THR N N 27 115.292 120.777 -5.485 1
1 281 . 14 1 1 A 46 46 ASN H H 28 9.336 7.772 1.564 1
1 282 . 14 1 1 A 46 46 ASN HA H 28 4.430 5.042 -0.612 1
1 287 . 14 1 1 A 46 46 ASN C C 28 174.273 175.365 -1.092 1
1 288 . 14 1 1 A 46 46 ASN CA C 28 53.144 51.791 1.353 1
1 289 . 14 1 1 A 46 46 ASN CB C 28 38.500 40.328 -1.828 1
1 290 . 14 1 1 A 46 46 ASN N N 28 127.779 121.442 6.337 1
1 292 . 14 1 1 A 47 47 GLU H H 29 8.499 8.925 -0.426 1
1 293 . 14 1 1 A 47 47 GLU HA H 29 4.006 4.081 -0.075 1
1 298 . 14 1 1 A 47 47 GLU C C 29 175.815 177.015 -1.200 1
1 299 . 14 1 1 A 47 47 GLU CA C 29 58.111 58.521 -0.410 1
1 300 . 14 1 1 A 47 47 GLU CB C 29 29.070 28.884 0.186 1
1 302 . 14 1 1 A 47 47 GLU N N 29 123.804 125.355 -1.551 1
1 303 . 14 1 1 A 48 48 PHE H H 30 7.423 7.503 -0.080 1
1 304 . 14 1 1 A 48 48 PHE HA H 30 4.860 4.806 0.054 1
1 311 . 14 1 1 A 48 48 PHE C C 30 171.980 174.593 -2.613 1
1 312 . 14 1 1 A 48 48 PHE CA C 30 56.336 56.566 -0.230 1
1 313 . 14 1 1 A 48 48 PHE CB C 30 38.132 37.149 0.983 1
1 316 . 14 1 1 A 48 48 PHE N N 30 117.186 118.068 -0.882 1
1 317 . 14 1 1 A 49 49 CYS H H 31 7.420 7.739 -0.319 1
1 318 . 14 1 1 A 49 49 CYS HA H 31 4.264 4.588 -0.324 1
1 321 . 14 1 1 A 49 49 CYS C C 31 174.436 173.099 1.337 1
1 322 . 14 1 1 A 49 49 CYS CA C 31 57.047 57.683 -0.636 1
1 323 . 14 1 1 A 49 49 CYS CB C 31 33.492 31.378 2.114 1
1 324 . 14 1 1 A 49 49 CYS N N 31 121.843 118.974 2.869 1
1 325 . 14 1 1 A 50 50 ALA H H 32 7.949 8.165 -0.216 1
1 326 . 14 1 1 A 50 50 ALA HA H 32 2.992 3.868 -0.876 1
1 330 . 14 1 1 A 50 50 ALA C C 32 178.762 177.992 0.770 1
1 331 . 14 1 1 A 50 50 ALA CA C 32 53.007 51.891 1.116 1
1 332 . 14 1 1 A 50 50 ALA CB C 32 17.007 19.570 -2.563 1
1 333 . 14 1 1 A 50 50 ALA N N 32 128.103 127.420 0.683 1
1 334 . 14 1 1 A 51 51 SER H H 33 9.507 8.702 0.805 1
1 335 . 14 1 1 A 51 51 SER HA H 33 4.299 4.074 0.225 1
1 338 . 14 1 1 A 51 51 SER C C 33 173.399 173.591 -0.192 1
1 339 . 14 1 1 A 51 51 SER CA C 33 60.840 60.580 0.260 1
1 340 . 14 1 1 A 51 51 SER CB C 33 63.679 61.745 1.934 1
1 341 . 14 1 1 A 51 51 SER N N 33 119.062 111.634 7.428 1
1 342 . 14 1 1 A 52 52 CYS H H 34 7.978 7.838 0.140 1
1 343 . 14 1 1 A 52 52 CYS HA H 34 4.652 4.779 -0.127 1
1 346 . 14 1 1 A 52 52 CYS CA C 34 55.835 56.751 -0.916 1
1 347 . 14 1 1 A 52 52 CYS CB C 34 27.879 28.912 -1.033 1
1 348 . 14 1 1 A 52 52 CYS N N 34 124.589 119.899 4.690 1
1 349 . 14 1 1 A 53 53 PRO HA H 35 4.393 4.332 0.061 1
1 356 . 14 1 1 A 53 53 PRO C C 35 177.889 177.676 0.213 1
1 357 . 14 1 1 A 53 53 PRO CA C 35 65.180 64.910 0.270 1
1 358 . 14 1 1 A 53 53 PRO CB C 35 32.850 31.955 0.895 1
1 361 . 14 1 1 A 54 54 THR H H 36 7.507 7.677 -0.170 1
1 362 . 14 1 1 A 54 54 THR HA H 36 4.314 4.306 0.008 1
1 367 . 14 1 1 A 54 54 THR C C 36 174.177 175.081 -0.904 1
1 368 . 14 1 1 A 54 54 THR CA C 36 61.195 62.490 -1.295 1
1 369 . 14 1 1 A 54 54 THR CB C 36 68.101 69.339 -1.238 1
1 371 . 14 1 1 A 54 54 THR N N 36 107.002 108.192 -1.190 1
1 372 . 14 1 1 A 55 55 PHE H H 37 7.716 7.720 -0.004 1
1 373 . 14 1 1 A 55 55 PHE HA H 37 4.204 4.813 -0.609 1
1 380 . 14 1 1 A 55 55 PHE C C 37 175.228 174.077 1.151 1
1 381 . 14 1 1 A 55 55 PHE CA C 37 58.875 57.011 1.864 1
1 382 . 14 1 1 A 55 55 PHE CB C 37 40.942 39.711 1.231 1
1 385 . 14 1 1 A 55 55 PHE N N 37 124.794 124.264 0.530 1
1 386 . 14 1 1 A 56 56 LEU H H 38 7.490 8.519 -1.029 1
1 387 . 14 1 1 A 56 56 LEU HA H 38 4.310 4.557 -0.247 1
1 397 . 14 1 1 A 56 56 LEU C C 38 174.300 175.900 -1.600 1
1 398 . 14 1 1 A 56 56 LEU CA C 38 53.416 54.239 -0.823 1
1 399 . 14 1 1 A 56 56 LEU CB C 38 41.386 42.979 -1.593 1
1 403 . 14 1 1 A 56 56 LEU N N 38 130.713 129.242 1.471 1
1 404 . 14 1 1 A 57 57 ARG H H 39 7.930 8.323 -0.393 1
1 405 . 14 1 1 A 57 57 ARG HA H 39 3.994 4.242 -0.248 1
1 412 . 14 1 1 A 57 57 ARG CA C 39 57.374 56.735 0.639 1
1 413 . 14 1 1 A 57 57 ARG CB C 39 30.517 30.758 -0.241 1
1 416 . 14 1 1 A 57 57 ARG N N 39 122.866 127.944 -5.078 1
1 417 . 14 1 1 A 58 58 MET H H 40 8.408 8.463 -0.055 1
1 418 . 14 1 1 A 58 58 MET HA H 40 4.706 5.276 -0.570 1
1 423 . 14 1 1 A 58 58 MET C C 40 175.160 175.710 -0.550 1
1 424 . 14 1 1 A 58 58 MET CA C 40 53.908 52.977 0.931 1
1 425 . 14 1 1 A 58 58 MET CB C 40 36.603 36.062 0.541 1
1 427 . 14 1 1 A 58 58 MET N N 40 121.024 122.599 -1.575 1
1 428 . 14 1 1 A 59 59 ASP H H 41 8.419 8.627 -0.208 1
1 429 . 14 1 1 A 59 59 ASP HA H 41 4.588 4.673 -0.085 1
1 432 . 14 1 1 A 59 59 ASP CA C 41 53.699 54.444 -0.745 1
1 433 . 14 1 1 A 59 59 ASP CB C 41 41.540 41.984 -0.444 1
1 434 . 14 1 1 A 59 59 ASP N N 41 120.478 120.571 -0.093 1
1 435 . 14 1 1 A 60 60 ASN HA H 42 4.317 4.392 -0.075 1
1 440 . 14 1 1 A 60 60 ASN C C 42 177.739 177.940 -0.201 1
1 441 . 14 1 1 A 60 60 ASN CA C 42 56.637 56.139 0.498 1
1 442 . 14 1 1 A 60 60 ASN CB C 42 37.586 38.047 -0.461 1
1 444 . 14 1 1 A 61 61 ASN H H 43 8.442 8.366 0.076 1
1 445 . 14 1 1 A 61 61 ASN HA H 43 4.450 4.548 -0.098 1
1 448 . 14 1 1 A 61 61 ASN C C 43 177.439 177.864 -0.425 1
1 449 . 14 1 1 A 61 61 ASN CA C 43 56.528 56.281 0.247 1
1 450 . 14 1 1 A 61 61 ASN CB C 43 38.023 38.329 -0.306 1
1 451 . 14 1 1 A 61 61 ASN N N 43 118.960 118.830 0.130 1
1 452 . 14 1 1 A 62 62 ALA H H 44 8.229 8.006 0.223 1
1 453 . 14 1 1 A 62 62 ALA HA H 44 4.102 4.131 -0.029 1
1 457 . 14 1 1 A 62 62 ALA C C 44 180.973 180.286 0.687 1
1 458 . 14 1 1 A 62 62 ALA CA C 44 54.672 54.834 -0.162 1
1 459 . 14 1 1 A 62 62 ALA CB C 44 18.466 18.241 0.225 1
1 460 . 14 1 1 A 62 62 ALA N N 44 123.651 122.501 1.150 1
1 461 . 14 1 1 A 63 63 ALA H H 45 8.779 8.036 0.743 1
1 462 . 14 1 1 A 63 63 ALA HA H 45 4.238 4.322 -0.084 1
1 466 . 14 1 1 A 63 63 ALA C C 45 178.680 179.693 -1.013 1
1 467 . 14 1 1 A 63 63 ALA CA C 45 54.945 54.680 0.265 1
1 468 . 14 1 1 A 63 63 ALA CB C 45 18.685 18.264 0.421 1
1 469 . 14 1 1 A 63 63 ALA N N 45 121.928 119.911 2.017 1
1 470 . 14 1 1 A 64 64 ALA H H 46 8.024 7.982 0.042 1
1 471 . 14 1 1 A 64 64 ALA HA H 46 4.109 4.350 -0.241 1
1 475 . 14 1 1 A 64 64 ALA C C 46 179.731 179.651 0.080 1
1 476 . 14 1 1 A 64 64 ALA CA C 46 55.873 55.215 0.658 1
1 477 . 14 1 1 A 64 64 ALA CB C 46 17.853 18.644 -0.791 1
1 478 . 14 1 1 A 64 64 ALA N N 46 121.126 119.806 1.320 1
1 479 . 14 1 1 A 65 65 ILE H H 47 7.220 7.770 -0.550 1
1 480 . 14 1 1 A 65 65 ILE HA H 47 3.740 3.621 0.119 1
1 490 . 14 1 1 A 65 65 ILE C C 47 179.049 178.271 0.778 1
1 491 . 14 1 1 A 65 65 ILE CA C 47 64.061 65.552 -1.491 1
1 492 . 14 1 1 A 65 65 ILE CB C 47 38.528 38.034 0.494 1
1 496 . 14 1 1 A 65 65 ILE N N 47 117.953 118.497 -0.544 1
1 497 . 14 1 1 A 66 66 LYS H H 48 8.363 8.095 0.268 1
1 498 . 14 1 1 A 66 66 LYS HA H 48 4.062 4.076 -0.014 1
1 507 . 14 1 1 A 66 66 LYS C C 48 177.739 178.894 -1.155 1
1 508 . 14 1 1 A 66 66 LYS CA C 48 57.074 58.555 -1.481 1
1 509 . 14 1 1 A 66 66 LYS CB C 48 31.472 32.032 -0.560 1
1 513 . 14 1 1 A 66 66 LYS N N 48 121.894 120.905 0.989 1
1 514 . 14 1 1 A 67 67 ALA H H 49 8.730 8.195 0.535 1
1 515 . 14 1 1 A 67 67 ALA HA H 49 3.682 4.194 -0.512 1
1 519 . 14 1 1 A 67 67 ALA C C 49 178.339 180.330 -1.991 1
1 520 . 14 1 1 A 67 67 ALA CA C 49 56.037 55.195 0.842 1
1 521 . 14 1 1 A 67 67 ALA CB C 49 18.126 18.412 -0.286 1
1 522 . 14 1 1 A 67 67 ALA N N 49 121.723 122.261 -0.538 1
1 523 . 14 1 1 A 68 68 LEU H H 50 6.888 7.979 -1.091 1
1 524 . 14 1 1 A 68 68 LEU HA H 50 4.020 4.192 -0.172 1
1 534 . 14 1 1 A 68 68 LEU C C 50 178.776 179.519 -0.743 1
1 535 . 14 1 1 A 68 68 LEU CA C 50 57.892 57.614 0.278 1
1 536 . 14 1 1 A 68 68 LEU CB C 50 41.832 41.336 0.496 1
1 540 . 14 1 1 A 68 68 LEU N N 50 115.156 119.333 -4.177 1
1 541 . 14 1 1 A 69 69 GLU H H 51 7.216 8.020 -0.804 1
1 542 . 14 1 1 A 69 69 GLU HA H 51 3.836 4.028 -0.192 1
1 547 . 14 1 1 A 69 69 GLU C C 51 178.721 179.222 -0.501 1
1 548 . 14 1 1 A 69 69 GLU CA C 51 59.257 59.267 -0.010 1
1 549 . 14 1 1 A 69 69 GLU CB C 51 29.343 29.449 -0.106 1
1 551 . 14 1 1 A 69 69 GLU N N 51 119.727 120.284 -0.557 1
1 552 . 14 1 1 A 70 70 LEU H H 52 8.326 8.131 0.195 1
1 553 . 14 1 1 A 70 70 LEU HA H 52 3.501 3.708 -0.207 1
1 563 . 14 1 1 A 70 70 LEU C C 52 178.421 178.358 0.063 1
1 564 . 14 1 1 A 70 70 LEU CA C 52 56.814 57.182 -0.368 1
1 565 . 14 1 1 A 70 70 LEU CB C 52 39.497 40.883 -1.386 1
1 569 . 14 1 1 A 70 70 LEU N N 52 117.442 119.182 -1.740 1
1 570 . 14 1 1 A 71 71 TYR H H 53 7.440 8.034 -0.594 1
1 571 . 14 1 1 A 71 71 TYR HA H 53 4.010 3.880 0.130 1
1 578 . 14 1 1 A 71 71 TYR C C 53 177.602 177.878 -0.276 1
1 579 . 14 1 1 A 71 71 TYR CA C 53 60.751 61.469 -0.718 1
1 580 . 14 1 1 A 71 71 TYR CB C 53 38.221 38.750 -0.529 1
1 583 . 14 1 1 A 71 71 TYR N N 53 118.670 119.813 -1.143 1
1 584 . 14 1 1 A 72 72 LYS H H 54 7.720 8.147 -0.427 1
1 585 . 14 1 1 A 72 72 LYS HA H 54 3.543 3.690 -0.147 1
1 594 . 14 1 1 A 72 72 LYS C C 54 178.216 177.815 0.401 1
1 595 . 14 1 1 A 72 72 LYS CA C 54 59.475 58.767 0.708 1
1 596 . 14 1 1 A 72 72 LYS CB C 54 32.400 31.742 0.658 1
1 600 . 14 1 1 A 72 72 LYS N N 54 120.512 118.105 2.407 1
1 601 . 14 1 1 A 73 73 ILE H H 55 7.265 7.156 0.109 1
1 602 . 14 1 1 A 73 73 ILE HA H 55 4.327 4.041 0.286 1
1 610 . 14 1 1 A 73 73 ILE CA C 55 60.625 61.045 -0.420 1
1 611 . 14 1 1 A 73 73 ILE CB C 55 38.244 38.560 -0.316 1
1 614 . 14 1 1 A 73 73 ILE N N 55 109.032 115.303 -6.271 1
1 615 . 14 1 1 A 74 74 ASN HA H 56 4.225 4.258 -0.033 1
1 620 . 14 1 1 A 74 74 ASN C C 56 174.532 174.595 -0.063 1
1 621 . 14 1 1 A 74 74 ASN CA C 56 53.853 54.235 -0.382 1
1 622 . 14 1 1 A 74 74 ASN CB C 56 37.027 36.673 0.354 1
1 624 . 14 1 1 A 75 75 ALA H H 57 7.653 7.655 -0.002 1
1 625 . 14 1 1 A 75 75 ALA HA H 57 4.126 4.415 -0.289 1
1 629 . 14 1 1 A 75 75 ALA C C 57 177.848 177.300 0.548 1
1 630 . 14 1 1 A 75 75 ALA CA C 57 51.969 51.738 0.231 1
1 631 . 14 1 1 A 75 75 ALA CB C 57 20.500 20.529 -0.029 1
1 632 . 14 1 1 A 75 75 ALA N N 57 119.216 119.540 -0.324 1
1 633 . 14 1 1 A 76 76 LYS H H 58 8.612 8.639 -0.027 1
1 634 . 14 1 1 A 76 76 LYS HA H 58 3.999 4.464 -0.465 1
1 643 . 14 1 1 A 76 76 LYS C C 58 176.142 175.807 0.335 1
1 644 . 14 1 1 A 76 76 LYS CA C 58 58.220 57.100 1.120 1
1 645 . 14 1 1 A 76 76 LYS CB C 58 32.673 33.101 -0.428 1
1 649 . 14 1 1 A 76 76 LYS N N 58 122.696 118.760 3.936 1
1 650 . 14 1 1 A 77 77 LEU H H 59 8.427 8.901 -0.474 1
1 651 . 14 1 1 A 77 77 LEU HA H 59 4.954 5.515 -0.561 1
1 661 . 14 1 1 A 77 77 LEU C C 59 177.712 174.504 3.208 1
1 662 . 14 1 1 A 77 77 LEU CA C 59 52.843 53.456 -0.613 1
1 663 . 14 1 1 A 77 77 LEU CB C 59 43.611 46.563 -2.952 1
1 667 . 14 1 1 A 77 77 LEU N N 59 129.775 126.740 3.035 1
1 668 . 14 1 1 A 78 78 CYS H H 60 8.573 8.725 -0.152 1
1 669 . 14 1 1 A 78 78 CYS HA H 60 3.938 5.272 -1.334 1
1 672 . 14 1 1 A 78 78 CYS C C 60 176.265 173.143 3.122 1
1 673 . 14 1 1 A 78 78 CYS CA C 60 61.768 56.967 4.801 1
1 674 . 14 1 1 A 78 78 CYS CB C 60 31.103 28.723 2.380 1
1 675 . 14 1 1 A 78 78 CYS N N 60 126.244 125.267 0.977 1
1 676 . 14 1 1 A 79 79 ASP H H 61 8.570 9.046 -0.476 1
1 677 . 14 1 1 A 79 79 ASP HA H 61 4.765 5.339 -0.574 1
1 680 . 14 1 1 A 79 79 ASP CA C 61 52.464 51.262 1.202 1
1 681 . 14 1 1 A 79 79 ASP CB C 61 40.598 43.953 -3.355 1
1 682 . 14 1 1 A 79 79 ASP N N 61 123.037 122.983 0.054 1
1 683 . 14 1 1 A 80 80 PRO HA H 62 4.351 4.643 -0.292 1
1 690 . 14 1 1 A 80 80 PRO C C 62 175.296 175.673 -0.377 1
1 691 . 14 1 1 A 80 80 PRO CA C 62 63.419 63.097 0.322 1
1 692 . 14 1 1 A 80 80 PRO CB C 62 31.963 31.883 0.080 1
1 695 . 14 1 1 A 81 81 HIS H H 63 8.283 8.491 -0.208 1
1 696 . 14 1 1 A 81 81 HIS HA H 63 4.737 5.085 -0.348 1
1 697 . 14 1 1 A 81 81 HIS CA C 63 54.272 53.642 0.630 1
1 698 . 14 1 1 A 81 81 HIS N N 63 122.934 123.047 -0.113 1
1 1 . 15 1 1 A 20 20 LYS HA H 2 4.205 4.157 0.048 1
1 8 . 15 1 1 A 20 20 LYS C C 2 176.538 178.839 -2.301 1
1 9 . 15 1 1 A 20 20 LYS CA C 2 56.364 58.751 -2.387 1
1 10 . 15 1 1 A 20 20 LYS CB C 2 30.708 32.396 -1.688 1
1 13 . 15 1 1 A 21 21 ARG H H 3 8.541 7.896 0.645 1
1 14 . 15 1 1 A 21 21 ARG N N 3 120.785 119.453 1.332 1
1 15 . 15 1 1 A 22 22 ALA HA H 4 4.082 3.976 0.106 1
1 19 . 15 1 1 A 22 22 ALA CA C 4 54.047 54.798 -0.751 1
1 20 . 15 1 1 A 22 22 ALA CB C 4 18.824 18.085 0.739 1
1 21 . 15 1 1 A 23 23 ALA HA H 5 4.177 4.218 -0.041 1
1 25 . 15 1 1 A 23 23 ALA C C 5 178.940 179.522 -0.582 1
1 26 . 15 1 1 A 23 23 ALA CA C 5 53.798 55.043 -1.245 1
1 27 . 15 1 1 A 23 23 ALA CB C 5 18.753 18.402 0.351 1
1 28 . 15 1 1 A 24 24 ALA H H 6 7.783 7.944 -0.161 1
1 29 . 15 1 1 A 24 24 ALA HA H 6 4.007 4.245 -0.238 1
1 33 . 15 1 1 A 24 24 ALA C C 6 178.203 179.512 -1.309 1
1 34 . 15 1 1 A 24 24 ALA CA C 6 54.590 55.172 -0.582 1
1 35 . 15 1 1 A 24 24 ALA CB C 6 18.494 18.075 0.419 1
1 36 . 15 1 1 A 24 24 ALA N N 6 121.484 121.035 0.449 1
1 37 . 15 1 1 A 25 25 LYS H H 7 7.921 7.809 0.112 1
1 38 . 15 1 1 A 25 25 LYS HA H 7 3.723 3.946 -0.223 1
1 47 . 15 1 1 A 25 25 LYS C C 7 178.121 178.927 -0.806 1
1 48 . 15 1 1 A 25 25 LYS CA C 7 59.475 59.128 0.347 1
1 49 . 15 1 1 A 25 25 LYS CB C 7 32.382 31.917 0.465 1
1 53 . 15 1 1 A 25 25 LYS N N 7 117.083 118.973 -1.890 1
1 54 . 15 1 1 A 26 26 HIS H H 8 7.810 7.691 0.119 1
1 55 . 15 1 1 A 26 26 HIS HA H 8 4.327 4.407 -0.080 1
1 58 . 15 1 1 A 26 26 HIS C C 8 175.774 178.035 -2.261 1
1 59 . 15 1 1 A 26 26 HIS CA C 8 58.657 59.823 -1.166 1
1 60 . 15 1 1 A 26 26 HIS CB C 8 30.271 31.091 -0.820 1
1 61 . 15 1 1 A 26 26 HIS N N 8 117.117 118.089 -0.972 1
1 62 . 15 1 1 A 27 27 LEU H H 9 7.710 8.286 -0.576 1
1 63 . 15 1 1 A 27 27 LEU HA H 9 3.921 3.980 -0.059 1
1 72 . 15 1 1 A 27 27 LEU C C 9 178.585 179.377 -0.792 1
1 73 . 15 1 1 A 27 27 LEU CA C 9 58.002 57.986 0.016 1
1 74 . 15 1 1 A 27 27 LEU CB C 9 42.288 41.677 0.611 1
1 77 . 15 1 1 A 27 27 LEU N N 9 120.717 119.428 1.289 1
1 78 . 15 1 1 A 28 28 ILE H H 10 8.559 8.169 0.390 1
1 79 . 15 1 1 A 28 28 ILE HA H 10 3.656 3.518 0.138 1
1 89 . 15 1 1 A 28 28 ILE C C 10 178.148 178.284 -0.136 1
1 90 . 15 1 1 A 28 28 ILE CA C 10 66.845 65.445 1.400 1
1 91 . 15 1 1 A 28 28 ILE CB C 10 37.913 37.370 0.543 1
1 95 . 15 1 1 A 28 28 ILE N N 10 120.086 119.832 0.254 1
1 96 . 15 1 1 A 29 29 GLU H H 11 7.849 7.873 -0.024 1
1 97 . 15 1 1 A 29 29 GLU HA H 11 4.013 4.145 -0.132 1
1 102 . 15 1 1 A 29 29 GLU C C 11 179.376 179.208 0.168 1
1 103 . 15 1 1 A 29 29 GLU CA C 11 59.584 59.197 0.387 1
1 104 . 15 1 1 A 29 29 GLU CB C 11 29.070 28.947 0.123 1
1 106 . 15 1 1 A 29 29 GLU N N 11 118.346 121.251 -2.905 1
1 107 . 15 1 1 A 30 30 ARG H H 12 7.839 7.900 -0.061 1
1 108 . 15 1 1 A 30 30 ARG HA H 12 4.064 4.003 0.061 1
1 115 . 15 1 1 A 30 30 ARG C C 12 180.318 178.855 1.463 1
1 116 . 15 1 1 A 30 30 ARG CA C 12 59.585 59.672 -0.087 1
1 117 . 15 1 1 A 30 30 ARG CB C 12 29.234 29.861 -0.627 1
1 120 . 15 1 1 A 30 30 ARG N N 12 120.904 119.036 1.868 1
1 121 . 15 1 1 A 31 31 TYR H H 13 8.545 8.038 0.507 1
1 122 . 15 1 1 A 31 31 TYR HA H 13 4.064 4.308 -0.244 1
1 129 . 15 1 1 A 31 31 TYR C C 13 177.725 178.663 -0.938 1
1 130 . 15 1 1 A 31 31 TYR CA C 13 63.351 60.374 2.977 1
1 131 . 15 1 1 A 31 31 TYR CB C 13 38.623 38.088 0.535 1
1 134 . 15 1 1 A 31 31 TYR N N 13 120.393 119.976 0.417 1
1 135 . 15 1 1 A 32 32 TYR H H 14 8.783 8.461 0.322 1
1 136 . 15 1 1 A 32 32 TYR HA H 14 3.948 4.288 -0.340 1
1 143 . 15 1 1 A 32 32 TYR C C 14 178.599 177.476 1.123 1
1 144 . 15 1 1 A 32 32 TYR CA C 14 62.669 61.590 1.079 1
1 145 . 15 1 1 A 32 32 TYR CB C 14 38.350 38.179 0.171 1
1 148 . 15 1 1 A 32 32 TYR N N 14 120.342 119.645 0.697 1
1 149 . 15 1 1 A 33 33 HIS H H 15 8.740 8.411 0.329 1
1 150 . 15 1 1 A 33 33 HIS HA H 15 3.906 4.143 -0.237 1
1 153 . 15 1 1 A 33 33 HIS C C 15 177.834 176.739 1.095 1
1 154 . 15 1 1 A 33 33 HIS CA C 15 60.622 60.053 0.569 1
1 155 . 15 1 1 A 33 33 HIS CB C 15 30.599 29.378 1.221 1
1 156 . 15 1 1 A 33 33 HIS N N 15 121.297 119.234 2.063 1
1 157 . 15 1 1 A 34 34 GLN H H 16 8.371 8.089 0.282 1
1 158 . 15 1 1 A 34 34 GLN HA H 16 3.709 3.922 -0.213 1
1 165 . 15 1 1 A 34 34 GLN C C 16 176.238 178.568 -2.330 1
1 166 . 15 1 1 A 34 34 GLN CA C 16 60.185 58.718 1.467 1
1 167 . 15 1 1 A 34 34 GLN CB C 16 30.653 28.245 2.408 1
1 169 . 15 1 1 A 34 34 GLN N N 16 122.576 118.279 4.297 1
1 171 . 15 1 1 A 35 35 LEU H H 17 7.916 8.046 -0.130 1
1 172 . 15 1 1 A 35 35 LEU HA H 17 3.978 4.030 -0.052 1
1 182 . 15 1 1 A 35 35 LEU C C 17 175.624 179.199 -3.575 1
1 183 . 15 1 1 A 35 35 LEU CA C 17 56.377 57.835 -1.458 1
1 184 . 15 1 1 A 35 35 LEU CB C 17 45.098 41.808 3.290 1
1 188 . 15 1 1 A 35 35 LEU N N 17 116.299 119.793 -3.494 1
1 189 . 15 1 1 A 36 36 THR H H 18 7.148 7.583 -0.435 1
1 190 . 15 1 1 A 36 36 THR HA H 18 4.215 4.024 0.191 1
1 195 . 15 1 1 A 36 36 THR C C 18 174.709 176.938 -2.229 1
1 196 . 15 1 1 A 36 36 THR CA C 18 61.522 64.903 -3.381 1
1 197 . 15 1 1 A 36 36 THR CB C 18 70.434 68.543 1.891 1
1 199 . 15 1 1 A 36 36 THR N N 18 105.023 110.242 -5.219 1
1 200 . 15 1 1 A 37 37 GLU H H 19 8.234 7.871 0.363 1
1 201 . 15 1 1 A 37 37 GLU HA H 19 4.187 4.060 0.127 1
1 206 . 15 1 1 A 37 37 GLU C C 19 177.657 177.250 0.407 1
1 207 . 15 1 1 A 37 37 GLU CA C 19 56.855 57.130 -0.275 1
1 208 . 15 1 1 A 37 37 GLU CB C 19 30.872 30.525 0.347 1
1 210 . 15 1 1 A 37 37 GLU N N 19 122.559 120.361 2.198 1
1 211 . 15 1 1 A 38 38 GLY H H 20 7.485 7.906 -0.421 1
1 212 . 15 1 1 A 38 38 GLY HA2 H 20 4.586 3.970 0.616 1
1 213 . 15 1 1 A 38 38 GLY HA3 H 20 4.358 3.994 0.364 1
1 214 . 15 1 1 A 38 38 GLY C C 20 172.976 174.407 -1.431 1
1 215 . 15 1 1 A 38 38 GLY CA C 20 44.177 45.637 -1.460 1
1 216 . 15 1 1 A 38 38 GLY N N 20 107.019 106.330 0.689 1
1 217 . 15 1 1 A 39 39 CYS H H 21 7.410 8.124 -0.714 1
1 218 . 15 1 1 A 39 39 CYS HA H 21 4.498 4.614 -0.116 1
1 221 . 15 1 1 A 39 39 CYS C C 21 176.865 175.872 0.993 1
1 222 . 15 1 1 A 39 39 CYS CA C 21 58.493 58.377 0.116 1
1 223 . 15 1 1 A 39 39 CYS CB C 21 31.636 29.331 2.305 1
1 224 . 15 1 1 A 39 39 CYS N N 21 118.260 123.169 -4.909 1
1 225 . 15 1 1 A 40 40 GLY H H 22 8.670 8.239 0.431 1
1 226 . 15 1 1 A 40 40 GLY HA2 H 22 4.260 3.938 0.322 1
1 227 . 15 1 1 A 40 40 GLY HA3 H 22 3.505 3.946 -0.441 1
1 228 . 15 1 1 A 40 40 GLY C C 22 173.618 174.273 -0.655 1
1 229 . 15 1 1 A 40 40 GLY CA C 22 45.188 45.465 -0.277 1
1 230 . 15 1 1 A 40 40 GLY N N 22 112.324 110.771 1.553 1
1 231 . 15 1 1 A 41 41 ASN H H 23 8.379 7.661 0.718 1
1 232 . 15 1 1 A 41 41 ASN HA H 23 4.452 4.592 -0.140 1
1 237 . 15 1 1 A 41 41 ASN C C 23 175.132 176.368 -1.236 1
1 238 . 15 1 1 A 41 41 ASN CA C 23 52.106 53.835 -1.729 1
1 239 . 15 1 1 A 41 41 ASN CB C 23 38.678 39.009 -0.331 1
1 240 . 15 1 1 A 41 41 ASN N N 23 122.184 120.192 1.992 1
1 242 . 15 1 1 A 42 42 GLU H H 24 8.769 8.826 -0.057 1
1 243 . 15 1 1 A 42 42 GLU HA H 24 4.167 4.050 0.117 1
1 248 . 15 1 1 A 42 42 GLU C C 24 175.801 177.091 -1.290 1
1 249 . 15 1 1 A 42 42 GLU CA C 24 57.947 59.189 -1.242 1
1 250 . 15 1 1 A 42 42 GLU CB C 24 29.016 29.113 -0.097 1
1 252 . 15 1 1 A 42 42 GLU N N 24 124.589 126.174 -1.585 1
1 253 . 15 1 1 A 43 43 ALA H H 25 7.839 7.699 0.140 1
1 254 . 15 1 1 A 43 43 ALA HA H 25 4.381 4.360 0.021 1
1 258 . 15 1 1 A 43 43 ALA C C 25 175.842 176.048 -0.206 1
1 259 . 15 1 1 A 43 43 ALA CA C 25 50.319 51.593 -1.274 1
1 260 . 15 1 1 A 43 43 ALA CB C 25 18.563 17.427 1.136 1
1 261 . 15 1 1 A 43 43 ALA N N 25 121.706 120.512 1.194 1
1 262 . 15 1 1 A 44 44 CYS H H 26 7.350 8.177 -0.827 1
1 263 . 15 1 1 A 44 44 CYS HA H 26 3.757 4.954 -1.197 1
1 266 . 15 1 1 A 44 44 CYS C C 26 176.019 173.962 2.057 1
1 267 . 15 1 1 A 44 44 CYS CA C 26 62.696 57.243 5.453 1
1 268 . 15 1 1 A 44 44 CYS CB C 26 29.671 29.640 0.031 1
1 269 . 15 1 1 A 44 44 CYS N N 26 124.265 121.106 3.159 1
1 270 . 15 1 1 A 45 45 THR H H 27 7.872 8.688 -0.816 1
1 271 . 15 1 1 A 45 45 THR HA H 27 4.511 4.652 -0.141 1
1 276 . 15 1 1 A 45 45 THR C C 27 174.969 173.274 1.695 1
1 277 . 15 1 1 A 45 45 THR CA C 27 61.113 60.996 0.117 1
1 278 . 15 1 1 A 45 45 THR CB C 27 69.834 68.255 1.579 1
1 280 . 15 1 1 A 45 45 THR N N 27 115.292 119.513 -4.221 1
1 281 . 15 1 1 A 46 46 ASN H H 28 9.336 7.882 1.454 1
1 282 . 15 1 1 A 46 46 ASN HA H 28 4.430 5.003 -0.573 1
1 287 . 15 1 1 A 46 46 ASN C C 28 174.273 175.094 -0.821 1
1 288 . 15 1 1 A 46 46 ASN CA C 28 53.144 52.349 0.795 1
1 289 . 15 1 1 A 46 46 ASN CB C 28 38.500 40.053 -1.553 1
1 290 . 15 1 1 A 46 46 ASN N N 28 127.779 123.580 4.199 1
1 292 . 15 1 1 A 47 47 GLU H H 29 8.499 8.862 -0.363 1
1 293 . 15 1 1 A 47 47 GLU HA H 29 4.006 4.117 -0.111 1
1 298 . 15 1 1 A 47 47 GLU C C 29 175.815 177.121 -1.306 1
1 299 . 15 1 1 A 47 47 GLU CA C 29 58.111 58.654 -0.543 1
1 300 . 15 1 1 A 47 47 GLU CB C 29 29.070 28.855 0.215 1
1 302 . 15 1 1 A 47 47 GLU N N 29 123.804 125.587 -1.783 1
1 303 . 15 1 1 A 48 48 PHE H H 30 7.423 7.295 0.128 1
1 304 . 15 1 1 A 48 48 PHE HA H 30 4.860 4.718 0.142 1
1 311 . 15 1 1 A 48 48 PHE C C 30 171.980 175.600 -3.620 1
1 312 . 15 1 1 A 48 48 PHE CA C 30 56.336 58.680 -2.344 1
1 313 . 15 1 1 A 48 48 PHE CB C 30 38.132 39.336 -1.204 1
1 316 . 15 1 1 A 48 48 PHE N N 30 117.186 117.821 -0.635 1
1 317 . 15 1 1 A 49 49 CYS H H 31 7.420 7.576 -0.156 1
1 318 . 15 1 1 A 49 49 CYS HA H 31 4.264 4.888 -0.624 1
1 321 . 15 1 1 A 49 49 CYS C C 31 174.436 173.352 1.084 1
1 322 . 15 1 1 A 49 49 CYS CA C 31 57.047 56.880 0.167 1
1 323 . 15 1 1 A 49 49 CYS CB C 31 33.492 30.803 2.689 1
1 324 . 15 1 1 A 49 49 CYS N N 31 121.843 119.160 2.683 1
1 325 . 15 1 1 A 50 50 ALA H H 32 7.949 8.432 -0.483 1
1 326 . 15 1 1 A 50 50 ALA HA H 32 2.992 2.794 0.198 1
1 330 . 15 1 1 A 50 50 ALA C C 32 178.762 177.914 0.848 1
1 331 . 15 1 1 A 50 50 ALA CA C 32 53.007 51.554 1.453 1
1 332 . 15 1 1 A 50 50 ALA CB C 32 17.007 19.034 -2.027 1
1 333 . 15 1 1 A 50 50 ALA N N 32 128.103 128.764 -0.661 1
1 334 . 15 1 1 A 51 51 SER H H 33 9.507 8.618 0.889 1
1 335 . 15 1 1 A 51 51 SER HA H 33 4.299 4.078 0.221 1
1 338 . 15 1 1 A 51 51 SER C C 33 173.399 173.657 -0.258 1
1 339 . 15 1 1 A 51 51 SER CA C 33 60.840 60.508 0.332 1
1 340 . 15 1 1 A 51 51 SER CB C 33 63.679 61.737 1.942 1
1 341 . 15 1 1 A 51 51 SER N N 33 119.062 111.775 7.287 1
1 342 . 15 1 1 A 52 52 CYS H H 34 7.978 7.319 0.659 1
1 343 . 15 1 1 A 52 52 CYS HA H 34 4.652 4.613 0.039 1
1 346 . 15 1 1 A 52 52 CYS CA C 34 55.835 58.202 -2.367 1
1 347 . 15 1 1 A 52 52 CYS CB C 34 27.879 27.754 0.125 1
1 348 . 15 1 1 A 52 52 CYS N N 34 124.589 120.199 4.390 1
1 349 . 15 1 1 A 53 53 PRO HA H 35 4.393 4.266 0.127 1
1 356 . 15 1 1 A 53 53 PRO C C 35 177.889 177.839 0.050 1
1 357 . 15 1 1 A 53 53 PRO CA C 35 65.180 65.032 0.148 1
1 358 . 15 1 1 A 53 53 PRO CB C 35 32.850 31.829 1.021 1
1 361 . 15 1 1 A 54 54 THR H H 36 7.507 7.666 -0.159 1
1 362 . 15 1 1 A 54 54 THR HA H 36 4.314 4.287 0.027 1
1 367 . 15 1 1 A 54 54 THR C C 36 174.177 174.992 -0.815 1
1 368 . 15 1 1 A 54 54 THR CA C 36 61.195 62.727 -1.532 1
1 369 . 15 1 1 A 54 54 THR CB C 36 68.101 69.024 -0.923 1
1 371 . 15 1 1 A 54 54 THR N N 36 107.002 108.360 -1.358 1
1 372 . 15 1 1 A 55 55 PHE H H 37 7.716 7.653 0.063 1
1 373 . 15 1 1 A 55 55 PHE HA H 37 4.204 4.738 -0.534 1
1 380 . 15 1 1 A 55 55 PHE C C 37 175.228 174.133 1.095 1
1 381 . 15 1 1 A 55 55 PHE CA C 37 58.875 58.365 0.510 1
1 382 . 15 1 1 A 55 55 PHE CB C 37 40.942 40.234 0.708 1
1 385 . 15 1 1 A 55 55 PHE N N 37 124.794 124.235 0.559 1
1 386 . 15 1 1 A 56 56 LEU H H 38 7.490 8.354 -0.864 1
1 387 . 15 1 1 A 56 56 LEU HA H 38 4.310 4.877 -0.567 1
1 397 . 15 1 1 A 56 56 LEU C C 38 174.300 175.615 -1.315 1
1 398 . 15 1 1 A 56 56 LEU CA C 38 53.416 52.943 0.473 1
1 399 . 15 1 1 A 56 56 LEU CB C 38 41.386 44.718 -3.332 1
1 403 . 15 1 1 A 56 56 LEU N N 38 130.713 127.244 3.469 1
1 404 . 15 1 1 A 57 57 ARG H H 39 7.930 8.180 -0.250 1
1 405 . 15 1 1 A 57 57 ARG HA H 39 3.994 4.313 -0.319 1
1 412 . 15 1 1 A 57 57 ARG CA C 39 57.374 56.106 1.268 1
1 413 . 15 1 1 A 57 57 ARG CB C 39 30.517 30.720 -0.203 1
1 416 . 15 1 1 A 57 57 ARG N N 39 122.866 122.206 0.660 1
1 417 . 15 1 1 A 58 58 MET H H 40 8.408 8.522 -0.114 1
1 418 . 15 1 1 A 58 58 MET HA H 40 4.706 5.243 -0.537 1
1 423 . 15 1 1 A 58 58 MET C C 40 175.160 174.905 0.255 1
1 424 . 15 1 1 A 58 58 MET CA C 40 53.908 52.941 0.967 1
1 425 . 15 1 1 A 58 58 MET CB C 40 36.603 35.462 1.141 1
1 427 . 15 1 1 A 58 58 MET N N 40 121.024 120.884 0.140 1
1 428 . 15 1 1 A 59 59 ASP H H 41 8.419 8.726 -0.307 1
1 429 . 15 1 1 A 59 59 ASP HA H 41 4.588 4.854 -0.266 1
1 432 . 15 1 1 A 59 59 ASP CA C 41 53.699 53.671 0.028 1
1 433 . 15 1 1 A 59 59 ASP CB C 41 41.540 42.314 -0.774 1
1 434 . 15 1 1 A 59 59 ASP N N 41 120.478 121.789 -1.311 1
1 435 . 15 1 1 A 60 60 ASN HA H 42 4.317 4.454 -0.137 1
1 440 . 15 1 1 A 60 60 ASN C C 42 177.739 177.369 0.370 1
1 441 . 15 1 1 A 60 60 ASN CA C 42 56.637 57.089 -0.452 1
1 442 . 15 1 1 A 60 60 ASN CB C 42 37.586 38.445 -0.859 1
1 444 . 15 1 1 A 61 61 ASN H H 43 8.442 7.990 0.452 1
1 445 . 15 1 1 A 61 61 ASN HA H 43 4.450 4.530 -0.080 1
1 448 . 15 1 1 A 61 61 ASN C C 43 177.439 177.728 -0.289 1
1 449 . 15 1 1 A 61 61 ASN CA C 43 56.528 56.252 0.276 1
1 450 . 15 1 1 A 61 61 ASN CB C 43 38.023 38.427 -0.404 1
1 451 . 15 1 1 A 61 61 ASN N N 43 118.960 117.548 1.412 1
1 452 . 15 1 1 A 62 62 ALA H H 44 8.229 8.105 0.124 1
1 453 . 15 1 1 A 62 62 ALA HA H 44 4.102 4.048 0.054 1
1 457 . 15 1 1 A 62 62 ALA C C 44 180.973 180.108 0.865 1
1 458 . 15 1 1 A 62 62 ALA CA C 44 54.672 54.916 -0.244 1
1 459 . 15 1 1 A 62 62 ALA CB C 44 18.466 18.259 0.207 1
1 460 . 15 1 1 A 62 62 ALA N N 44 123.651 122.469 1.182 1
1 461 . 15 1 1 A 63 63 ALA H H 45 8.779 8.166 0.613 1
1 462 . 15 1 1 A 63 63 ALA HA H 45 4.238 4.250 -0.012 1
1 466 . 15 1 1 A 63 63 ALA C C 45 178.680 179.347 -0.667 1
1 467 . 15 1 1 A 63 63 ALA CA C 45 54.945 55.343 -0.398 1
1 468 . 15 1 1 A 63 63 ALA CB C 45 18.685 18.731 -0.046 1
1 469 . 15 1 1 A 63 63 ALA N N 45 121.928 120.243 1.685 1
1 470 . 15 1 1 A 64 64 ALA H H 46 8.024 7.817 0.207 1
1 471 . 15 1 1 A 64 64 ALA HA H 46 4.109 4.253 -0.144 1
1 475 . 15 1 1 A 64 64 ALA C C 46 179.731 179.687 0.044 1
1 476 . 15 1 1 A 64 64 ALA CA C 46 55.873 55.215 0.658 1
1 477 . 15 1 1 A 64 64 ALA CB C 46 17.853 18.211 -0.358 1
1 478 . 15 1 1 A 64 64 ALA N N 46 121.126 121.174 -0.048 1
1 479 . 15 1 1 A 65 65 ILE H H 47 7.220 7.950 -0.730 1
1 480 . 15 1 1 A 65 65 ILE HA H 47 3.740 3.604 0.136 1
1 490 . 15 1 1 A 65 65 ILE C C 47 179.049 177.974 1.075 1
1 491 . 15 1 1 A 65 65 ILE CA C 47 64.061 65.567 -1.506 1
1 492 . 15 1 1 A 65 65 ILE CB C 47 38.528 37.976 0.552 1
1 496 . 15 1 1 A 65 65 ILE N N 47 117.953 118.402 -0.449 1
1 497 . 15 1 1 A 66 66 LYS H H 48 8.363 8.121 0.242 1
1 498 . 15 1 1 A 66 66 LYS HA H 48 4.062 3.935 0.127 1
1 507 . 15 1 1 A 66 66 LYS C C 48 177.739 178.540 -0.801 1
1 508 . 15 1 1 A 66 66 LYS CA C 48 57.074 59.069 -1.995 1
1 509 . 15 1 1 A 66 66 LYS CB C 48 31.472 32.382 -0.910 1
1 513 . 15 1 1 A 66 66 LYS N N 48 121.894 121.125 0.769 1
1 514 . 15 1 1 A 67 67 ALA H H 49 8.730 8.137 0.593 1
1 515 . 15 1 1 A 67 67 ALA HA H 49 3.682 4.170 -0.488 1
1 519 . 15 1 1 A 67 67 ALA C C 49 178.339 180.761 -2.422 1
1 520 . 15 1 1 A 67 67 ALA CA C 49 56.037 55.119 0.918 1
1 521 . 15 1 1 A 67 67 ALA CB C 49 18.126 18.430 -0.304 1
1 522 . 15 1 1 A 67 67 ALA N N 49 121.723 121.752 -0.029 1
1 523 . 15 1 1 A 68 68 LEU H H 50 6.888 7.998 -1.110 1
1 524 . 15 1 1 A 68 68 LEU HA H 50 4.020 4.130 -0.110 1
1 534 . 15 1 1 A 68 68 LEU C C 50 178.776 179.287 -0.511 1
1 535 . 15 1 1 A 68 68 LEU CA C 50 57.892 57.662 0.230 1
1 536 . 15 1 1 A 68 68 LEU CB C 50 41.832 41.391 0.441 1
1 540 . 15 1 1 A 68 68 LEU N N 50 115.156 119.185 -4.029 1
1 541 . 15 1 1 A 69 69 GLU H H 51 7.216 8.103 -0.887 1
1 542 . 15 1 1 A 69 69 GLU HA H 51 3.836 4.004 -0.168 1
1 547 . 15 1 1 A 69 69 GLU C C 51 178.721 179.089 -0.368 1
1 548 . 15 1 1 A 69 69 GLU CA C 51 59.257 59.367 -0.110 1
1 549 . 15 1 1 A 69 69 GLU CB C 51 29.343 29.136 0.207 1
1 551 . 15 1 1 A 69 69 GLU N N 51 119.727 120.326 -0.599 1
1 552 . 15 1 1 A 70 70 LEU H H 52 8.326 7.710 0.616 1
1 553 . 15 1 1 A 70 70 LEU HA H 52 3.501 3.765 -0.264 1
1 563 . 15 1 1 A 70 70 LEU C C 52 178.421 178.206 0.215 1
1 564 . 15 1 1 A 70 70 LEU CA C 52 56.814 56.961 -0.147 1
1 565 . 15 1 1 A 70 70 LEU CB C 52 39.497 41.190 -1.693 1
1 569 . 15 1 1 A 70 70 LEU N N 52 117.442 119.476 -2.034 1
1 570 . 15 1 1 A 71 71 TYR H H 53 7.440 8.047 -0.607 1
1 571 . 15 1 1 A 71 71 TYR HA H 53 4.010 3.810 0.200 1
1 578 . 15 1 1 A 71 71 TYR C C 53 177.602 177.923 -0.321 1
1 579 . 15 1 1 A 71 71 TYR CA C 53 60.751 61.446 -0.695 1
1 580 . 15 1 1 A 71 71 TYR CB C 53 38.221 39.016 -0.795 1
1 583 . 15 1 1 A 71 71 TYR N N 53 118.670 119.763 -1.093 1
1 584 . 15 1 1 A 72 72 LYS H H 54 7.720 7.898 -0.178 1
1 585 . 15 1 1 A 72 72 LYS HA H 54 3.543 3.726 -0.183 1
1 594 . 15 1 1 A 72 72 LYS C C 54 178.216 177.870 0.346 1
1 595 . 15 1 1 A 72 72 LYS CA C 54 59.475 58.851 0.624 1
1 596 . 15 1 1 A 72 72 LYS CB C 54 32.400 31.967 0.433 1
1 600 . 15 1 1 A 72 72 LYS N N 54 120.512 117.811 2.701 1
1 601 . 15 1 1 A 73 73 ILE H H 55 7.265 7.202 0.063 1
1 602 . 15 1 1 A 73 73 ILE HA H 55 4.327 4.064 0.263 1
1 610 . 15 1 1 A 73 73 ILE CA C 55 60.625 61.078 -0.453 1
1 611 . 15 1 1 A 73 73 ILE CB C 55 38.244 38.529 -0.285 1
1 614 . 15 1 1 A 73 73 ILE N N 55 109.032 115.306 -6.274 1
1 615 . 15 1 1 A 74 74 ASN HA H 56 4.225 4.285 -0.060 1
1 620 . 15 1 1 A 74 74 ASN C C 56 174.532 174.657 -0.125 1
1 621 . 15 1 1 A 74 74 ASN CA C 56 53.853 54.337 -0.484 1
1 622 . 15 1 1 A 74 74 ASN CB C 56 37.027 36.764 0.263 1
1 624 . 15 1 1 A 75 75 ALA H H 57 7.653 7.471 0.182 1
1 625 . 15 1 1 A 75 75 ALA HA H 57 4.126 4.394 -0.268 1
1 629 . 15 1 1 A 75 75 ALA C C 57 177.848 176.819 1.029 1
1 630 . 15 1 1 A 75 75 ALA CA C 57 51.969 51.746 0.223 1
1 631 . 15 1 1 A 75 75 ALA CB C 57 20.500 20.330 0.170 1
1 632 . 15 1 1 A 75 75 ALA N N 57 119.216 119.363 -0.147 1
1 633 . 15 1 1 A 76 76 LYS H H 58 8.612 8.591 0.021 1
1 634 . 15 1 1 A 76 76 LYS HA H 58 3.999 4.367 -0.368 1
1 643 . 15 1 1 A 76 76 LYS C C 58 176.142 175.815 0.327 1
1 644 . 15 1 1 A 76 76 LYS CA C 58 58.220 56.528 1.692 1
1 645 . 15 1 1 A 76 76 LYS CB C 58 32.673 32.111 0.562 1
1 649 . 15 1 1 A 76 76 LYS N N 58 122.696 118.933 3.763 1
1 650 . 15 1 1 A 77 77 LEU H H 59 8.427 8.582 -0.155 1
1 651 . 15 1 1 A 77 77 LEU HA H 59 4.954 5.044 -0.090 1
1 661 . 15 1 1 A 77 77 LEU C C 59 177.712 175.826 1.886 1
1 662 . 15 1 1 A 77 77 LEU CA C 59 52.843 54.071 -1.228 1
1 663 . 15 1 1 A 77 77 LEU CB C 59 43.611 43.449 0.162 1
1 667 . 15 1 1 A 77 77 LEU N N 59 129.775 127.019 2.756 1
1 668 . 15 1 1 A 78 78 CYS H H 60 8.573 8.892 -0.319 1
1 669 . 15 1 1 A 78 78 CYS HA H 60 3.938 4.773 -0.835 1
1 672 . 15 1 1 A 78 78 CYS C C 60 176.265 173.925 2.340 1
1 673 . 15 1 1 A 78 78 CYS CA C 60 61.768 58.751 3.017 1
1 674 . 15 1 1 A 78 78 CYS CB C 60 31.103 27.858 3.245 1
1 675 . 15 1 1 A 78 78 CYS N N 60 126.244 127.049 -0.805 1
1 676 . 15 1 1 A 79 79 ASP H H 61 8.570 8.646 -0.076 1
1 677 . 15 1 1 A 79 79 ASP HA H 61 4.765 4.790 -0.025 1
1 680 . 15 1 1 A 79 79 ASP CA C 61 52.464 52.645 -0.181 1
1 681 . 15 1 1 A 79 79 ASP CB C 61 40.598 40.075 0.523 1
1 682 . 15 1 1 A 79 79 ASP N N 61 123.037 127.437 -4.400 1
1 683 . 15 1 1 A 80 80 PRO HA H 62 4.351 4.895 -0.544 1
1 690 . 15 1 1 A 80 80 PRO C C 62 175.296 176.130 -0.834 1
1 691 . 15 1 1 A 80 80 PRO CA C 62 63.419 62.544 0.875 1
1 692 . 15 1 1 A 80 80 PRO CB C 62 31.963 31.803 0.160 1
1 695 . 15 1 1 A 81 81 HIS H H 63 8.283 8.651 -0.368 1
1 696 . 15 1 1 A 81 81 HIS HA H 63 4.737 4.854 -0.117 1
1 697 . 15 1 1 A 81 81 HIS CA C 63 54.272 53.841 0.431 1
1 698 . 15 1 1 A 81 81 HIS N N 63 122.934 121.623 1.311 1
1 1 . 16 1 1 A 20 20 LYS HA H 2 4.205 4.663 -0.458 1
1 8 . 16 1 1 A 20 20 LYS C C 2 176.538 175.377 1.161 1
1 9 . 16 1 1 A 20 20 LYS CA C 2 56.364 55.110 1.254 1
1 10 . 16 1 1 A 20 20 LYS CB C 2 30.708 31.655 -0.947 1
1 13 . 16 1 1 A 21 21 ARG H H 3 8.541 8.115 0.426 1
1 14 . 16 1 1 A 21 21 ARG N N 3 120.785 124.083 -3.298 1
1 15 . 16 1 1 A 22 22 ALA HA H 4 4.082 3.942 0.140 1
1 19 . 16 1 1 A 22 22 ALA CA C 4 54.047 55.534 -1.487 1
1 20 . 16 1 1 A 22 22 ALA CB C 4 18.824 18.481 0.343 1
1 21 . 16 1 1 A 23 23 ALA HA H 5 4.177 4.216 -0.039 1
1 25 . 16 1 1 A 23 23 ALA C C 5 178.940 179.564 -0.624 1
1 26 . 16 1 1 A 23 23 ALA CA C 5 53.798 55.081 -1.283 1
1 27 . 16 1 1 A 23 23 ALA CB C 5 18.753 18.246 0.507 1
1 28 . 16 1 1 A 24 24 ALA H H 6 7.783 7.469 0.314 1
1 29 . 16 1 1 A 24 24 ALA HA H 6 4.007 4.151 -0.144 1
1 33 . 16 1 1 A 24 24 ALA C C 6 178.203 179.542 -1.339 1
1 34 . 16 1 1 A 24 24 ALA CA C 6 54.590 55.062 -0.472 1
1 35 . 16 1 1 A 24 24 ALA CB C 6 18.494 18.281 0.213 1
1 36 . 16 1 1 A 24 24 ALA N N 6 121.484 120.918 0.566 1
1 37 . 16 1 1 A 25 25 LYS H H 7 7.921 7.822 0.099 1
1 38 . 16 1 1 A 25 25 LYS HA H 7 3.723 3.931 -0.208 1
1 47 . 16 1 1 A 25 25 LYS C C 7 178.121 179.460 -1.339 1
1 48 . 16 1 1 A 25 25 LYS CA C 7 59.475 58.367 1.108 1
1 49 . 16 1 1 A 25 25 LYS CB C 7 32.382 32.666 -0.284 1
1 53 . 16 1 1 A 25 25 LYS N N 7 117.083 117.802 -0.719 1
1 54 . 16 1 1 A 26 26 HIS H H 8 7.810 7.857 -0.047 1
1 55 . 16 1 1 A 26 26 HIS HA H 8 4.327 4.360 -0.033 1
1 58 . 16 1 1 A 26 26 HIS C C 8 175.774 178.191 -2.417 1
1 59 . 16 1 1 A 26 26 HIS CA C 8 58.657 59.681 -1.024 1
1 60 . 16 1 1 A 26 26 HIS CB C 8 30.271 29.807 0.464 1
1 61 . 16 1 1 A 26 26 HIS N N 8 117.117 118.815 -1.698 1
1 62 . 16 1 1 A 27 27 LEU H H 9 7.710 8.031 -0.321 1
1 63 . 16 1 1 A 27 27 LEU HA H 9 3.921 3.941 -0.020 1
1 72 . 16 1 1 A 27 27 LEU C C 9 178.585 179.541 -0.956 1
1 73 . 16 1 1 A 27 27 LEU CA C 9 58.002 57.790 0.212 1
1 74 . 16 1 1 A 27 27 LEU CB C 9 42.288 41.589 0.699 1
1 77 . 16 1 1 A 27 27 LEU N N 9 120.717 119.149 1.568 1
1 78 . 16 1 1 A 28 28 ILE H H 10 8.559 7.886 0.673 1
1 79 . 16 1 1 A 28 28 ILE HA H 10 3.656 3.422 0.234 1
1 89 . 16 1 1 A 28 28 ILE C C 10 178.148 178.032 0.116 1
1 90 . 16 1 1 A 28 28 ILE CA C 10 66.845 65.017 1.828 1
1 91 . 16 1 1 A 28 28 ILE CB C 10 37.913 37.350 0.563 1
1 95 . 16 1 1 A 28 28 ILE N N 10 120.086 120.005 0.081 1
1 96 . 16 1 1 A 29 29 GLU H H 11 7.849 8.125 -0.276 1
1 97 . 16 1 1 A 29 29 GLU HA H 11 4.013 4.077 -0.064 1
1 102 . 16 1 1 A 29 29 GLU C C 11 179.376 179.290 0.086 1
1 103 . 16 1 1 A 29 29 GLU CA C 11 59.584 59.661 -0.077 1
1 104 . 16 1 1 A 29 29 GLU CB C 11 29.070 29.302 -0.232 1
1 106 . 16 1 1 A 29 29 GLU N N 11 118.346 119.272 -0.926 1
1 107 . 16 1 1 A 30 30 ARG H H 12 7.839 7.889 -0.050 1
1 108 . 16 1 1 A 30 30 ARG HA H 12 4.064 4.060 0.004 1
1 115 . 16 1 1 A 30 30 ARG C C 12 180.318 178.789 1.529 1
1 116 . 16 1 1 A 30 30 ARG CA C 12 59.585 59.584 0.001 1
1 117 . 16 1 1 A 30 30 ARG CB C 12 29.234 29.880 -0.646 1
1 120 . 16 1 1 A 30 30 ARG N N 12 120.904 120.096 0.808 1
1 121 . 16 1 1 A 31 31 TYR H H 13 8.545 8.028 0.517 1
1 122 . 16 1 1 A 31 31 TYR HA H 13 4.064 4.293 -0.229 1
1 129 . 16 1 1 A 31 31 TYR C C 13 177.725 178.497 -0.772 1
1 130 . 16 1 1 A 31 31 TYR CA C 13 63.351 60.257 3.094 1
1 131 . 16 1 1 A 31 31 TYR CB C 13 38.623 37.935 0.688 1
1 134 . 16 1 1 A 31 31 TYR N N 13 120.393 119.880 0.513 1
1 135 . 16 1 1 A 32 32 TYR H H 14 8.783 8.300 0.483 1
1 136 . 16 1 1 A 32 32 TYR HA H 14 3.948 4.141 -0.193 1
1 143 . 16 1 1 A 32 32 TYR C C 14 178.599 177.641 0.958 1
1 144 . 16 1 1 A 32 32 TYR CA C 14 62.669 61.898 0.771 1
1 145 . 16 1 1 A 32 32 TYR CB C 14 38.350 38.379 -0.029 1
1 148 . 16 1 1 A 32 32 TYR N N 14 120.342 120.435 -0.093 1
1 149 . 16 1 1 A 33 33 HIS H H 15 8.740 8.281 0.459 1
1 150 . 16 1 1 A 33 33 HIS HA H 15 3.906 4.693 -0.787 1
1 153 . 16 1 1 A 33 33 HIS C C 15 177.834 177.393 0.441 1
1 154 . 16 1 1 A 33 33 HIS CA C 15 60.622 59.459 1.163 1
1 155 . 16 1 1 A 33 33 HIS CB C 15 30.599 28.732 1.867 1
1 156 . 16 1 1 A 33 33 HIS N N 15 121.297 117.134 4.163 1
1 157 . 16 1 1 A 34 34 GLN H H 16 8.371 8.073 0.298 1
1 158 . 16 1 1 A 34 34 GLN HA H 16 3.709 3.897 -0.188 1
1 165 . 16 1 1 A 34 34 GLN C C 16 176.238 178.132 -1.894 1
1 166 . 16 1 1 A 34 34 GLN CA C 16 60.185 58.583 1.602 1
1 167 . 16 1 1 A 34 34 GLN CB C 16 30.653 28.121 2.532 1
1 169 . 16 1 1 A 34 34 GLN N N 16 122.576 120.561 2.015 1
1 171 . 16 1 1 A 35 35 LEU H H 17 7.916 8.001 -0.085 1
1 172 . 16 1 1 A 35 35 LEU HA H 17 3.978 3.859 0.119 1
1 182 . 16 1 1 A 35 35 LEU C C 17 175.624 178.532 -2.908 1
1 183 . 16 1 1 A 35 35 LEU CA C 17 56.377 56.753 -0.376 1
1 184 . 16 1 1 A 35 35 LEU CB C 17 45.098 41.542 3.556 1
1 188 . 16 1 1 A 35 35 LEU N N 17 116.299 119.237 -2.938 1
1 189 . 16 1 1 A 36 36 THR H H 18 7.148 7.405 -0.257 1
1 190 . 16 1 1 A 36 36 THR HA H 18 4.215 4.289 -0.074 1
1 195 . 16 1 1 A 36 36 THR C C 18 174.709 177.065 -2.356 1
1 196 . 16 1 1 A 36 36 THR CA C 18 61.522 64.027 -2.505 1
1 197 . 16 1 1 A 36 36 THR CB C 18 70.434 68.981 1.453 1
1 199 . 16 1 1 A 36 36 THR N N 18 105.023 110.597 -5.574 1
1 200 . 16 1 1 A 37 37 GLU H H 19 8.234 7.963 0.271 1
1 201 . 16 1 1 A 37 37 GLU HA H 19 4.187 4.267 -0.080 1
1 206 . 16 1 1 A 37 37 GLU C C 19 177.657 177.511 0.146 1
1 207 . 16 1 1 A 37 37 GLU CA C 19 56.855 56.819 0.036 1
1 208 . 16 1 1 A 37 37 GLU CB C 19 30.872 30.447 0.425 1
1 210 . 16 1 1 A 37 37 GLU N N 19 122.559 121.415 1.144 1
1 211 . 16 1 1 A 38 38 GLY H H 20 7.485 8.130 -0.645 1
1 212 . 16 1 1 A 38 38 GLY HA2 H 20 4.586 3.872 0.714 1
1 213 . 16 1 1 A 38 38 GLY HA3 H 20 4.358 3.910 0.448 1
1 214 . 16 1 1 A 38 38 GLY C C 20 172.976 174.422 -1.446 1
1 215 . 16 1 1 A 38 38 GLY CA C 20 44.177 46.722 -2.545 1
1 216 . 16 1 1 A 38 38 GLY N N 20 107.019 106.992 0.027 1
1 217 . 16 1 1 A 39 39 CYS H H 21 7.410 8.267 -0.857 1
1 218 . 16 1 1 A 39 39 CYS HA H 21 4.498 4.561 -0.063 1
1 221 . 16 1 1 A 39 39 CYS C C 21 176.865 175.988 0.877 1
1 222 . 16 1 1 A 39 39 CYS CA C 21 58.493 58.412 0.081 1
1 223 . 16 1 1 A 39 39 CYS CB C 21 31.636 29.340 2.296 1
1 224 . 16 1 1 A 39 39 CYS N N 21 118.260 123.813 -5.553 1
1 225 . 16 1 1 A 40 40 GLY H H 22 8.670 8.226 0.444 1
1 226 . 16 1 1 A 40 40 GLY HA2 H 22 4.260 3.955 0.305 1
1 227 . 16 1 1 A 40 40 GLY HA3 H 22 3.505 3.958 -0.453 1
1 228 . 16 1 1 A 40 40 GLY C C 22 173.618 174.361 -0.743 1
1 229 . 16 1 1 A 40 40 GLY CA C 22 45.188 45.340 -0.152 1
1 230 . 16 1 1 A 40 40 GLY N N 22 112.324 111.067 1.257 1
1 231 . 16 1 1 A 41 41 ASN H H 23 8.379 7.990 0.389 1
1 232 . 16 1 1 A 41 41 ASN HA H 23 4.452 4.599 -0.147 1
1 237 . 16 1 1 A 41 41 ASN C C 23 175.132 176.789 -1.657 1
1 238 . 16 1 1 A 41 41 ASN CA C 23 52.106 53.985 -1.879 1
1 239 . 16 1 1 A 41 41 ASN CB C 23 38.678 39.619 -0.941 1
1 240 . 16 1 1 A 41 41 ASN N N 23 122.184 120.038 2.146 1
1 242 . 16 1 1 A 42 42 GLU H H 24 8.769 8.799 -0.030 1
1 243 . 16 1 1 A 42 42 GLU HA H 24 4.167 4.070 0.097 1
1 248 . 16 1 1 A 42 42 GLU C C 24 175.801 177.018 -1.217 1
1 249 . 16 1 1 A 42 42 GLU CA C 24 57.947 59.097 -1.150 1
1 250 . 16 1 1 A 42 42 GLU CB C 24 29.016 29.118 -0.102 1
1 252 . 16 1 1 A 42 42 GLU N N 24 124.589 126.001 -1.412 1
1 253 . 16 1 1 A 43 43 ALA H H 25 7.839 7.578 0.261 1
1 254 . 16 1 1 A 43 43 ALA HA H 25 4.381 4.433 -0.052 1
1 258 . 16 1 1 A 43 43 ALA C C 25 175.842 176.815 -0.973 1
1 259 . 16 1 1 A 43 43 ALA CA C 25 50.319 51.592 -1.273 1
1 260 . 16 1 1 A 43 43 ALA CB C 25 18.563 18.401 0.162 1
1 261 . 16 1 1 A 43 43 ALA N N 25 121.706 120.355 1.351 1
1 262 . 16 1 1 A 44 44 CYS H H 26 7.350 7.476 -0.126 1
1 263 . 16 1 1 A 44 44 CYS HA H 26 3.757 4.636 -0.879 1
1 266 . 16 1 1 A 44 44 CYS C C 26 176.019 174.421 1.598 1
1 267 . 16 1 1 A 44 44 CYS CA C 26 62.696 59.204 3.492 1
1 268 . 16 1 1 A 44 44 CYS CB C 26 29.671 28.718 0.953 1
1 269 . 16 1 1 A 44 44 CYS N N 26 124.265 118.076 6.189 1
1 270 . 16 1 1 A 45 45 THR H H 27 7.872 8.676 -0.804 1
1 271 . 16 1 1 A 45 45 THR HA H 27 4.511 4.698 -0.187 1
1 276 . 16 1 1 A 45 45 THR C C 27 174.969 172.689 2.280 1
1 277 . 16 1 1 A 45 45 THR CA C 27 61.113 61.243 -0.130 1
1 278 . 16 1 1 A 45 45 THR CB C 27 69.834 69.089 0.745 1
1 280 . 16 1 1 A 45 45 THR N N 27 115.292 117.410 -2.118 1
1 281 . 16 1 1 A 46 46 ASN H H 28 9.336 8.171 1.165 1
1 282 . 16 1 1 A 46 46 ASN HA H 28 4.430 4.947 -0.517 1
1 287 . 16 1 1 A 46 46 ASN C C 28 174.273 175.047 -0.774 1
1 288 . 16 1 1 A 46 46 ASN CA C 28 53.144 53.357 -0.213 1
1 289 . 16 1 1 A 46 46 ASN CB C 28 38.500 40.968 -2.468 1
1 290 . 16 1 1 A 46 46 ASN N N 28 127.779 124.936 2.843 1
1 292 . 16 1 1 A 47 47 GLU H H 29 8.499 9.040 -0.541 1
1 293 . 16 1 1 A 47 47 GLU HA H 29 4.006 4.120 -0.114 1
1 298 . 16 1 1 A 47 47 GLU C C 29 175.815 176.640 -0.825 1
1 299 . 16 1 1 A 47 47 GLU CA C 29 58.111 58.812 -0.701 1
1 300 . 16 1 1 A 47 47 GLU CB C 29 29.070 28.908 0.162 1
1 302 . 16 1 1 A 47 47 GLU N N 29 123.804 124.473 -0.669 1
1 303 . 16 1 1 A 48 48 PHE H H 30 7.423 7.588 -0.165 1
1 304 . 16 1 1 A 48 48 PHE HA H 30 4.860 4.596 0.264 1
1 311 . 16 1 1 A 48 48 PHE C C 30 171.980 174.530 -2.550 1
1 312 . 16 1 1 A 48 48 PHE CA C 30 56.336 56.467 -0.131 1
1 313 . 16 1 1 A 48 48 PHE CB C 30 38.132 37.224 0.908 1
1 316 . 16 1 1 A 48 48 PHE N N 30 117.186 117.936 -0.750 1
1 317 . 16 1 1 A 49 49 CYS H H 31 7.420 7.448 -0.028 1
1 318 . 16 1 1 A 49 49 CYS HA H 31 4.264 4.707 -0.443 1
1 321 . 16 1 1 A 49 49 CYS C C 31 174.436 173.379 1.057 1
1 322 . 16 1 1 A 49 49 CYS CA C 31 57.047 58.045 -0.998 1
1 323 . 16 1 1 A 49 49 CYS CB C 31 33.492 31.411 2.081 1
1 324 . 16 1 1 A 49 49 CYS N N 31 121.843 122.376 -0.533 1
1 325 . 16 1 1 A 50 50 ALA H H 32 7.949 8.479 -0.530 1
1 326 . 16 1 1 A 50 50 ALA HA H 32 2.992 4.476 -1.484 1
1 330 . 16 1 1 A 50 50 ALA C C 32 178.762 178.076 0.686 1
1 331 . 16 1 1 A 50 50 ALA CA C 32 53.007 52.288 0.719 1
1 332 . 16 1 1 A 50 50 ALA CB C 32 17.007 19.708 -2.701 1
1 333 . 16 1 1 A 50 50 ALA N N 32 128.103 127.950 0.153 1
1 334 . 16 1 1 A 51 51 SER H H 33 9.507 8.828 0.679 1
1 335 . 16 1 1 A 51 51 SER HA H 33 4.299 4.136 0.163 1
1 338 . 16 1 1 A 51 51 SER C C 33 173.399 173.369 0.030 1
1 339 . 16 1 1 A 51 51 SER CA C 33 60.840 60.258 0.582 1
1 340 . 16 1 1 A 51 51 SER CB C 33 63.679 61.603 2.076 1
1 341 . 16 1 1 A 51 51 SER N N 33 119.062 111.719 7.343 1
1 342 . 16 1 1 A 52 52 CYS H H 34 7.978 7.906 0.072 1
1 343 . 16 1 1 A 52 52 CYS HA H 34 4.652 4.919 -0.267 1
1 346 . 16 1 1 A 52 52 CYS CA C 34 55.835 56.962 -1.127 1
1 347 . 16 1 1 A 52 52 CYS CB C 34 27.879 29.209 -1.330 1
1 348 . 16 1 1 A 52 52 CYS N N 34 124.589 119.125 5.464 1
1 349 . 16 1 1 A 53 53 PRO HA H 35 4.393 4.472 -0.079 1
1 356 . 16 1 1 A 53 53 PRO C C 35 177.889 177.356 0.533 1
1 357 . 16 1 1 A 53 53 PRO CA C 35 65.180 64.280 0.900 1
1 358 . 16 1 1 A 53 53 PRO CB C 35 32.850 31.817 1.033 1
1 361 . 16 1 1 A 54 54 THR H H 36 7.507 7.747 -0.240 1
1 362 . 16 1 1 A 54 54 THR HA H 36 4.314 4.302 0.012 1
1 367 . 16 1 1 A 54 54 THR C C 36 174.177 174.093 0.084 1
1 368 . 16 1 1 A 54 54 THR CA C 36 61.195 62.818 -1.623 1
1 369 . 16 1 1 A 54 54 THR CB C 36 68.101 69.234 -1.133 1
1 371 . 16 1 1 A 54 54 THR N N 36 107.002 107.729 -0.727 1
1 372 . 16 1 1 A 55 55 PHE H H 37 7.716 7.737 -0.021 1
1 373 . 16 1 1 A 55 55 PHE HA H 37 4.204 4.783 -0.579 1
1 380 . 16 1 1 A 55 55 PHE C C 37 175.228 173.573 1.655 1
1 381 . 16 1 1 A 55 55 PHE CA C 37 58.875 56.255 2.620 1
1 382 . 16 1 1 A 55 55 PHE CB C 37 40.942 42.314 -1.372 1
1 385 . 16 1 1 A 55 55 PHE N N 37 124.794 122.175 2.619 1
1 386 . 16 1 1 A 56 56 LEU H H 38 7.490 8.587 -1.097 1
1 387 . 16 1 1 A 56 56 LEU HA H 38 4.310 4.575 -0.265 1
1 397 . 16 1 1 A 56 56 LEU C C 38 174.300 176.535 -2.235 1
1 398 . 16 1 1 A 56 56 LEU CA C 38 53.416 53.377 0.039 1
1 399 . 16 1 1 A 56 56 LEU CB C 38 41.386 42.606 -1.220 1
1 403 . 16 1 1 A 56 56 LEU N N 38 130.713 127.443 3.270 1
1 404 . 16 1 1 A 57 57 ARG H H 39 7.930 8.306 -0.376 1
1 405 . 16 1 1 A 57 57 ARG HA H 39 3.994 4.220 -0.226 1
1 412 . 16 1 1 A 57 57 ARG CA C 39 57.374 57.065 0.309 1
1 413 . 16 1 1 A 57 57 ARG CB C 39 30.517 30.936 -0.419 1
1 416 . 16 1 1 A 57 57 ARG N N 39 122.866 123.553 -0.687 1
1 417 . 16 1 1 A 58 58 MET H H 40 8.408 8.895 -0.487 1
1 418 . 16 1 1 A 58 58 MET HA H 40 4.706 5.197 -0.491 1
1 423 . 16 1 1 A 58 58 MET C C 40 175.160 174.740 0.420 1
1 424 . 16 1 1 A 58 58 MET CA C 40 53.908 53.643 0.265 1
1 425 . 16 1 1 A 58 58 MET CB C 40 36.603 36.038 0.565 1
1 427 . 16 1 1 A 58 58 MET N N 40 121.024 119.536 1.488 1
1 428 . 16 1 1 A 59 59 ASP H H 41 8.419 8.874 -0.455 1
1 429 . 16 1 1 A 59 59 ASP HA H 41 4.588 4.799 -0.211 1
1 432 . 16 1 1 A 59 59 ASP CA C 41 53.699 53.015 0.684 1
1 433 . 16 1 1 A 59 59 ASP CB C 41 41.540 41.638 -0.098 1
1 434 . 16 1 1 A 59 59 ASP N N 41 120.478 120.749 -0.271 1
1 435 . 16 1 1 A 60 60 ASN HA H 42 4.317 4.477 -0.160 1
1 440 . 16 1 1 A 60 60 ASN C C 42 177.739 177.673 0.066 1
1 441 . 16 1 1 A 60 60 ASN CA C 42 56.637 55.767 0.870 1
1 442 . 16 1 1 A 60 60 ASN CB C 42 37.586 38.136 -0.550 1
1 444 . 16 1 1 A 61 61 ASN H H 43 8.442 7.887 0.555 1
1 445 . 16 1 1 A 61 61 ASN HA H 43 4.450 4.482 -0.032 1
1 448 . 16 1 1 A 61 61 ASN C C 43 177.439 177.283 0.156 1
1 449 . 16 1 1 A 61 61 ASN CA C 43 56.528 56.359 0.169 1
1 450 . 16 1 1 A 61 61 ASN CB C 43 38.023 38.676 -0.653 1
1 451 . 16 1 1 A 61 61 ASN N N 43 118.960 117.737 1.223 1
1 452 . 16 1 1 A 62 62 ALA H H 44 8.229 8.132 0.097 1
1 453 . 16 1 1 A 62 62 ALA HA H 44 4.102 4.092 0.010 1
1 457 . 16 1 1 A 62 62 ALA C C 44 180.973 180.438 0.535 1
1 458 . 16 1 1 A 62 62 ALA CA C 44 54.672 54.910 -0.238 1
1 459 . 16 1 1 A 62 62 ALA CB C 44 18.466 18.229 0.237 1
1 460 . 16 1 1 A 62 62 ALA N N 44 123.651 121.455 2.196 1
1 461 . 16 1 1 A 63 63 ALA H H 45 8.779 8.033 0.746 1
1 462 . 16 1 1 A 63 63 ALA HA H 45 4.238 4.338 -0.100 1
1 466 . 16 1 1 A 63 63 ALA C C 45 178.680 179.731 -1.051 1
1 467 . 16 1 1 A 63 63 ALA CA C 45 54.945 55.026 -0.081 1
1 468 . 16 1 1 A 63 63 ALA CB C 45 18.685 18.448 0.237 1
1 469 . 16 1 1 A 63 63 ALA N N 45 121.928 120.012 1.916 1
1 470 . 16 1 1 A 64 64 ALA H H 46 8.024 7.899 0.125 1
1 471 . 16 1 1 A 64 64 ALA HA H 46 4.109 4.235 -0.126 1
1 475 . 16 1 1 A 64 64 ALA C C 46 179.731 179.516 0.215 1
1 476 . 16 1 1 A 64 64 ALA CA C 46 55.873 55.170 0.703 1
1 477 . 16 1 1 A 64 64 ALA CB C 46 17.853 18.311 -0.458 1
1 478 . 16 1 1 A 64 64 ALA N N 46 121.126 120.461 0.665 1
1 479 . 16 1 1 A 65 65 ILE H H 47 7.220 7.769 -0.549 1
1 480 . 16 1 1 A 65 65 ILE HA H 47 3.740 3.607 0.133 1
1 490 . 16 1 1 A 65 65 ILE C C 47 179.049 178.011 1.038 1
1 491 . 16 1 1 A 65 65 ILE CA C 47 64.061 65.620 -1.559 1
1 492 . 16 1 1 A 65 65 ILE CB C 47 38.528 38.079 0.449 1
1 496 . 16 1 1 A 65 65 ILE N N 47 117.953 118.684 -0.731 1
1 497 . 16 1 1 A 66 66 LYS H H 48 8.363 8.155 0.208 1
1 498 . 16 1 1 A 66 66 LYS HA H 48 4.062 4.023 0.039 1
1 507 . 16 1 1 A 66 66 LYS C C 48 177.739 178.841 -1.102 1
1 508 . 16 1 1 A 66 66 LYS CA C 48 57.074 58.685 -1.611 1
1 509 . 16 1 1 A 66 66 LYS CB C 48 31.472 32.371 -0.899 1
1 513 . 16 1 1 A 66 66 LYS N N 48 121.894 120.930 0.964 1
1 514 . 16 1 1 A 67 67 ALA H H 49 8.730 8.080 0.650 1
1 515 . 16 1 1 A 67 67 ALA HA H 49 3.682 4.188 -0.506 1
1 519 . 16 1 1 A 67 67 ALA C C 49 178.339 179.998 -1.659 1
1 520 . 16 1 1 A 67 67 ALA CA C 49 56.037 55.238 0.799 1
1 521 . 16 1 1 A 67 67 ALA CB C 49 18.126 18.716 -0.590 1
1 522 . 16 1 1 A 67 67 ALA N N 49 121.723 122.733 -1.010 1
1 523 . 16 1 1 A 68 68 LEU H H 50 6.888 7.828 -0.940 1
1 524 . 16 1 1 A 68 68 LEU HA H 50 4.020 4.072 -0.052 1
1 534 . 16 1 1 A 68 68 LEU C C 50 178.776 179.308 -0.532 1
1 535 . 16 1 1 A 68 68 LEU CA C 50 57.892 57.706 0.186 1
1 536 . 16 1 1 A 68 68 LEU CB C 50 41.832 41.090 0.742 1
1 540 . 16 1 1 A 68 68 LEU N N 50 115.156 117.834 -2.678 1
1 541 . 16 1 1 A 69 69 GLU H H 51 7.216 8.158 -0.942 1
1 542 . 16 1 1 A 69 69 GLU HA H 51 3.836 4.010 -0.174 1
1 547 . 16 1 1 A 69 69 GLU C C 51 178.721 178.734 -0.013 1
1 548 . 16 1 1 A 69 69 GLU CA C 51 59.257 59.231 0.026 1
1 549 . 16 1 1 A 69 69 GLU CB C 51 29.343 29.332 0.011 1
1 551 . 16 1 1 A 69 69 GLU N N 51 119.727 120.611 -0.884 1
1 552 . 16 1 1 A 70 70 LEU H H 52 8.326 7.903 0.423 1
1 553 . 16 1 1 A 70 70 LEU HA H 52 3.501 3.792 -0.291 1
1 563 . 16 1 1 A 70 70 LEU C C 52 178.421 178.387 0.034 1
1 564 . 16 1 1 A 70 70 LEU CA C 52 56.814 57.041 -0.227 1
1 565 . 16 1 1 A 70 70 LEU CB C 52 39.497 40.776 -1.279 1
1 569 . 16 1 1 A 70 70 LEU N N 52 117.442 119.224 -1.782 1
1 570 . 16 1 1 A 71 71 TYR H H 53 7.440 7.819 -0.379 1
1 571 . 16 1 1 A 71 71 TYR HA H 53 4.010 3.476 0.534 1
1 578 . 16 1 1 A 71 71 TYR C C 53 177.602 177.837 -0.235 1
1 579 . 16 1 1 A 71 71 TYR CA C 53 60.751 61.269 -0.518 1
1 580 . 16 1 1 A 71 71 TYR CB C 53 38.221 38.621 -0.400 1
1 583 . 16 1 1 A 71 71 TYR N N 53 118.670 120.356 -1.686 1
1 584 . 16 1 1 A 72 72 LYS H H 54 7.720 7.858 -0.138 1
1 585 . 16 1 1 A 72 72 LYS HA H 54 3.543 3.791 -0.248 1
1 594 . 16 1 1 A 72 72 LYS C C 54 178.216 177.794 0.422 1
1 595 . 16 1 1 A 72 72 LYS CA C 54 59.475 58.880 0.595 1
1 596 . 16 1 1 A 72 72 LYS CB C 54 32.400 31.809 0.591 1
1 600 . 16 1 1 A 72 72 LYS N N 54 120.512 118.058 2.454 1
1 601 . 16 1 1 A 73 73 ILE H H 55 7.265 7.226 0.039 1
1 602 . 16 1 1 A 73 73 ILE HA H 55 4.327 4.052 0.275 1
1 610 . 16 1 1 A 73 73 ILE CA C 55 60.625 61.380 -0.755 1
1 611 . 16 1 1 A 73 73 ILE CB C 55 38.244 38.104 0.140 1
1 614 . 16 1 1 A 73 73 ILE N N 55 109.032 115.841 -6.809 1
1 615 . 16 1 1 A 74 74 ASN HA H 56 4.225 4.321 -0.096 1
1 620 . 16 1 1 A 74 74 ASN C C 56 174.532 174.200 0.332 1
1 621 . 16 1 1 A 74 74 ASN CA C 56 53.853 53.910 -0.057 1
1 622 . 16 1 1 A 74 74 ASN CB C 56 37.027 36.835 0.192 1
1 624 . 16 1 1 A 75 75 ALA H H 57 7.653 7.704 -0.051 1
1 625 . 16 1 1 A 75 75 ALA HA H 57 4.126 4.390 -0.264 1
1 629 . 16 1 1 A 75 75 ALA C C 57 177.848 177.120 0.728 1
1 630 . 16 1 1 A 75 75 ALA CA C 57 51.969 51.888 0.081 1
1 631 . 16 1 1 A 75 75 ALA CB C 57 20.500 20.058 0.442 1
1 632 . 16 1 1 A 75 75 ALA N N 57 119.216 119.958 -0.742 1
1 633 . 16 1 1 A 76 76 LYS H H 58 8.612 8.505 0.107 1
1 634 . 16 1 1 A 76 76 LYS HA H 58 3.999 4.221 -0.222 1
1 643 . 16 1 1 A 76 76 LYS C C 58 176.142 175.770 0.372 1
1 644 . 16 1 1 A 76 76 LYS CA C 58 58.220 56.599 1.621 1
1 645 . 16 1 1 A 76 76 LYS CB C 58 32.673 32.637 0.036 1
1 649 . 16 1 1 A 76 76 LYS N N 58 122.696 119.149 3.547 1
1 650 . 16 1 1 A 77 77 LEU H H 59 8.427 8.707 -0.280 1
1 651 . 16 1 1 A 77 77 LEU HA H 59 4.954 5.179 -0.225 1
1 661 . 16 1 1 A 77 77 LEU C C 59 177.712 176.055 1.657 1
1 662 . 16 1 1 A 77 77 LEU CA C 59 52.843 53.353 -0.510 1
1 663 . 16 1 1 A 77 77 LEU CB C 59 43.611 44.786 -1.175 1
1 667 . 16 1 1 A 77 77 LEU N N 59 129.775 126.117 3.658 1
1 668 . 16 1 1 A 78 78 CYS H H 60 8.573 8.718 -0.145 1
1 669 . 16 1 1 A 78 78 CYS HA H 60 3.938 4.700 -0.762 1
1 672 . 16 1 1 A 78 78 CYS C C 60 176.265 173.420 2.845 1
1 673 . 16 1 1 A 78 78 CYS CA C 60 61.768 57.953 3.815 1
1 674 . 16 1 1 A 78 78 CYS CB C 60 31.103 28.178 2.925 1
1 675 . 16 1 1 A 78 78 CYS N N 60 126.244 125.519 0.725 1
1 676 . 16 1 1 A 79 79 ASP H H 61 8.570 7.334 1.236 1
1 677 . 16 1 1 A 79 79 ASP HA H 61 4.765 4.834 -0.069 1
1 680 . 16 1 1 A 79 79 ASP CA C 61 52.464 52.419 0.045 1
1 681 . 16 1 1 A 79 79 ASP CB C 61 40.598 40.732 -0.134 1
1 682 . 16 1 1 A 79 79 ASP N N 61 123.037 119.508 3.529 1
1 683 . 16 1 1 A 80 80 PRO HA H 62 4.351 4.386 -0.035 1
1 690 . 16 1 1 A 80 80 PRO C C 62 175.296 176.611 -1.315 1
1 691 . 16 1 1 A 80 80 PRO CA C 62 63.419 63.362 0.057 1
1 692 . 16 1 1 A 80 80 PRO CB C 62 31.963 31.691 0.272 1
1 695 . 16 1 1 A 81 81 HIS H H 63 8.283 8.381 -0.098 1
1 696 . 16 1 1 A 81 81 HIS HA H 63 4.737 4.766 -0.029 1
1 697 . 16 1 1 A 81 81 HIS CA C 63 54.272 55.288 -1.016 1
1 698 . 16 1 1 A 81 81 HIS N N 63 122.934 120.749 2.185 1
1 1 . 17 1 1 A 20 20 LYS HA H 2 4.205 4.393 -0.188 1
1 8 . 17 1 1 A 20 20 LYS C C 2 176.538 177.184 -0.646 1
1 9 . 17 1 1 A 20 20 LYS CA C 2 56.364 56.766 -0.402 1
1 10 . 17 1 1 A 20 20 LYS CB C 2 30.708 32.619 -1.911 1
1 13 . 17 1 1 A 21 21 ARG H H 3 8.541 7.759 0.782 1
1 14 . 17 1 1 A 21 21 ARG N N 3 120.785 121.105 -0.320 1
1 15 . 17 1 1 A 22 22 ALA HA H 4 4.082 3.884 0.198 1
1 19 . 17 1 1 A 22 22 ALA CA C 4 54.047 54.540 -0.493 1
1 20 . 17 1 1 A 22 22 ALA CB C 4 18.824 18.106 0.718 1
1 21 . 17 1 1 A 23 23 ALA HA H 5 4.177 4.015 0.162 1
1 25 . 17 1 1 A 23 23 ALA C C 5 178.940 179.501 -0.561 1
1 26 . 17 1 1 A 23 23 ALA CA C 5 53.798 54.974 -1.176 1
1 27 . 17 1 1 A 23 23 ALA CB C 5 18.753 18.212 0.541 1
1 28 . 17 1 1 A 24 24 ALA H H 6 7.783 7.933 -0.150 1
1 29 . 17 1 1 A 24 24 ALA HA H 6 4.007 4.103 -0.096 1
1 33 . 17 1 1 A 24 24 ALA C C 6 178.203 179.043 -0.840 1
1 34 . 17 1 1 A 24 24 ALA CA C 6 54.590 55.189 -0.599 1
1 35 . 17 1 1 A 24 24 ALA CB C 6 18.494 18.318 0.176 1
1 36 . 17 1 1 A 24 24 ALA N N 6 121.484 120.603 0.881 1
1 37 . 17 1 1 A 25 25 LYS H H 7 7.921 7.573 0.348 1
1 38 . 17 1 1 A 25 25 LYS HA H 7 3.723 3.947 -0.224 1
1 47 . 17 1 1 A 25 25 LYS C C 7 178.121 179.090 -0.969 1
1 48 . 17 1 1 A 25 25 LYS CA C 7 59.475 59.300 0.175 1
1 49 . 17 1 1 A 25 25 LYS CB C 7 32.382 32.023 0.359 1
1 53 . 17 1 1 A 25 25 LYS N N 7 117.083 118.746 -1.663 1
1 54 . 17 1 1 A 26 26 HIS H H 8 7.810 7.686 0.124 1
1 55 . 17 1 1 A 26 26 HIS HA H 8 4.327 4.330 -0.003 1
1 58 . 17 1 1 A 26 26 HIS C C 8 175.774 177.733 -1.959 1
1 59 . 17 1 1 A 26 26 HIS CA C 8 58.657 59.614 -0.957 1
1 60 . 17 1 1 A 26 26 HIS CB C 8 30.271 30.104 0.167 1
1 61 . 17 1 1 A 26 26 HIS N N 8 117.117 118.372 -1.255 1
1 62 . 17 1 1 A 27 27 LEU H H 9 7.710 8.193 -0.483 1
1 63 . 17 1 1 A 27 27 LEU HA H 9 3.921 3.704 0.217 1
1 72 . 17 1 1 A 27 27 LEU C C 9 178.585 178.943 -0.358 1
1 73 . 17 1 1 A 27 27 LEU CA C 9 58.002 58.025 -0.023 1
1 74 . 17 1 1 A 27 27 LEU CB C 9 42.288 41.508 0.780 1
1 77 . 17 1 1 A 27 27 LEU N N 9 120.717 119.398 1.319 1
1 78 . 17 1 1 A 28 28 ILE H H 10 8.559 7.847 0.712 1
1 79 . 17 1 1 A 28 28 ILE HA H 10 3.656 3.547 0.109 1
1 89 . 17 1 1 A 28 28 ILE C C 10 178.148 178.274 -0.126 1
1 90 . 17 1 1 A 28 28 ILE CA C 10 66.845 65.216 1.629 1
1 91 . 17 1 1 A 28 28 ILE CB C 10 37.913 37.609 0.304 1
1 95 . 17 1 1 A 28 28 ILE N N 10 120.086 119.790 0.296 1
1 96 . 17 1 1 A 29 29 GLU H H 11 7.849 7.916 -0.067 1
1 97 . 17 1 1 A 29 29 GLU HA H 11 4.013 3.933 0.080 1
1 102 . 17 1 1 A 29 29 GLU C C 11 179.376 179.088 0.288 1
1 103 . 17 1 1 A 29 29 GLU CA C 11 59.584 59.028 0.556 1
1 104 . 17 1 1 A 29 29 GLU CB C 11 29.070 29.116 -0.046 1
1 106 . 17 1 1 A 29 29 GLU N N 11 118.346 121.003 -2.657 1
1 107 . 17 1 1 A 30 30 ARG H H 12 7.839 7.665 0.174 1
1 108 . 17 1 1 A 30 30 ARG HA H 12 4.064 3.979 0.085 1
1 115 . 17 1 1 A 30 30 ARG C C 12 180.318 178.613 1.705 1
1 116 . 17 1 1 A 30 30 ARG CA C 12 59.585 59.255 0.330 1
1 117 . 17 1 1 A 30 30 ARG CB C 12 29.234 30.241 -1.007 1
1 120 . 17 1 1 A 30 30 ARG N N 12 120.904 119.072 1.832 1
1 121 . 17 1 1 A 31 31 TYR H H 13 8.545 8.236 0.309 1
1 122 . 17 1 1 A 31 31 TYR HA H 13 4.064 4.206 -0.142 1
1 129 . 17 1 1 A 31 31 TYR C C 13 177.725 178.402 -0.677 1
1 130 . 17 1 1 A 31 31 TYR CA C 13 63.351 60.239 3.112 1
1 131 . 17 1 1 A 31 31 TYR CB C 13 38.623 37.961 0.662 1
1 134 . 17 1 1 A 31 31 TYR N N 13 120.393 119.730 0.663 1
1 135 . 17 1 1 A 32 32 TYR H H 14 8.783 8.276 0.507 1
1 136 . 17 1 1 A 32 32 TYR HA H 14 3.948 4.242 -0.294 1
1 143 . 17 1 1 A 32 32 TYR C C 14 178.599 177.486 1.113 1
1 144 . 17 1 1 A 32 32 TYR CA C 14 62.669 61.814 0.855 1
1 145 . 17 1 1 A 32 32 TYR CB C 14 38.350 38.826 -0.476 1
1 148 . 17 1 1 A 32 32 TYR N N 14 120.342 120.381 -0.039 1
1 149 . 17 1 1 A 33 33 HIS H H 15 8.740 8.281 0.459 1
1 150 . 17 1 1 A 33 33 HIS HA H 15 3.906 4.299 -0.393 1
1 153 . 17 1 1 A 33 33 HIS C C 15 177.834 177.359 0.475 1
1 154 . 17 1 1 A 33 33 HIS CA C 15 60.622 59.113 1.509 1
1 155 . 17 1 1 A 33 33 HIS CB C 15 30.599 29.542 1.057 1
1 156 . 17 1 1 A 33 33 HIS N N 15 121.297 117.208 4.089 1
1 157 . 17 1 1 A 34 34 GLN H H 16 8.371 8.106 0.265 1
1 158 . 17 1 1 A 34 34 GLN HA H 16 3.709 3.904 -0.195 1
1 165 . 17 1 1 A 34 34 GLN C C 16 176.238 178.611 -2.373 1
1 166 . 17 1 1 A 34 34 GLN CA C 16 60.185 58.863 1.322 1
1 167 . 17 1 1 A 34 34 GLN CB C 16 30.653 28.095 2.558 1
1 169 . 17 1 1 A 34 34 GLN N N 16 122.576 119.755 2.821 1
1 171 . 17 1 1 A 35 35 LEU H H 17 7.916 7.606 0.310 1
1 172 . 17 1 1 A 35 35 LEU HA H 17 3.978 3.625 0.353 1
1 182 . 17 1 1 A 35 35 LEU C C 17 175.624 179.056 -3.432 1
1 183 . 17 1 1 A 35 35 LEU CA C 17 56.377 57.653 -1.276 1
1 184 . 17 1 1 A 35 35 LEU CB C 17 45.098 42.059 3.039 1
1 188 . 17 1 1 A 35 35 LEU N N 17 116.299 119.695 -3.396 1
1 189 . 17 1 1 A 36 36 THR H H 18 7.148 7.956 -0.808 1
1 190 . 17 1 1 A 36 36 THR HA H 18 4.215 4.037 0.178 1
1 195 . 17 1 1 A 36 36 THR C C 18 174.709 177.041 -2.332 1
1 196 . 17 1 1 A 36 36 THR CA C 18 61.522 65.288 -3.766 1
1 197 . 17 1 1 A 36 36 THR CB C 18 70.434 68.186 2.248 1
1 199 . 17 1 1 A 36 36 THR N N 18 105.023 110.344 -5.321 1
1 200 . 17 1 1 A 37 37 GLU H H 19 8.234 7.942 0.292 1
1 201 . 17 1 1 A 37 37 GLU HA H 19 4.187 4.284 -0.097 1
1 206 . 17 1 1 A 37 37 GLU C C 19 177.657 177.359 0.298 1
1 207 . 17 1 1 A 37 37 GLU CA C 19 56.855 56.578 0.277 1
1 208 . 17 1 1 A 37 37 GLU CB C 19 30.872 30.593 0.279 1
1 210 . 17 1 1 A 37 37 GLU N N 19 122.559 120.213 2.346 1
1 211 . 17 1 1 A 38 38 GLY H H 20 7.485 7.949 -0.464 1
1 212 . 17 1 1 A 38 38 GLY HA2 H 20 4.586 3.916 0.670 1
1 213 . 17 1 1 A 38 38 GLY HA3 H 20 4.358 3.951 0.407 1
1 214 . 17 1 1 A 38 38 GLY C C 20 172.976 174.408 -1.432 1
1 215 . 17 1 1 A 38 38 GLY CA C 20 44.177 46.037 -1.860 1
1 216 . 17 1 1 A 38 38 GLY N N 20 107.019 106.799 0.220 1
1 217 . 17 1 1 A 39 39 CYS H H 21 7.410 8.325 -0.915 1
1 218 . 17 1 1 A 39 39 CYS HA H 21 4.498 4.604 -0.106 1
1 221 . 17 1 1 A 39 39 CYS C C 21 176.865 175.952 0.913 1
1 222 . 17 1 1 A 39 39 CYS CA C 21 58.493 58.417 0.076 1
1 223 . 17 1 1 A 39 39 CYS CB C 21 31.636 29.229 2.407 1
1 224 . 17 1 1 A 39 39 CYS N N 21 118.260 123.080 -4.820 1
1 225 . 17 1 1 A 40 40 GLY H H 22 8.670 8.218 0.452 1
1 226 . 17 1 1 A 40 40 GLY HA2 H 22 4.260 3.943 0.317 1
1 227 . 17 1 1 A 40 40 GLY HA3 H 22 3.505 3.944 -0.439 1
1 228 . 17 1 1 A 40 40 GLY C C 22 173.618 174.357 -0.739 1
1 229 . 17 1 1 A 40 40 GLY CA C 22 45.188 45.126 0.062 1
1 230 . 17 1 1 A 40 40 GLY N N 22 112.324 110.502 1.822 1
1 231 . 17 1 1 A 41 41 ASN H H 23 8.379 7.992 0.387 1
1 232 . 17 1 1 A 41 41 ASN HA H 23 4.452 4.606 -0.154 1
1 237 . 17 1 1 A 41 41 ASN C C 23 175.132 176.431 -1.299 1
1 238 . 17 1 1 A 41 41 ASN CA C 23 52.106 53.922 -1.816 1
1 239 . 17 1 1 A 41 41 ASN CB C 23 38.678 39.533 -0.855 1
1 240 . 17 1 1 A 41 41 ASN N N 23 122.184 119.928 2.256 1
1 242 . 17 1 1 A 42 42 GLU H H 24 8.769 8.797 -0.028 1
1 243 . 17 1 1 A 42 42 GLU HA H 24 4.167 4.102 0.065 1
1 248 . 17 1 1 A 42 42 GLU C C 24 175.801 176.997 -1.196 1
1 249 . 17 1 1 A 42 42 GLU CA C 24 57.947 59.373 -1.426 1
1 250 . 17 1 1 A 42 42 GLU CB C 24 29.016 28.962 0.054 1
1 252 . 17 1 1 A 42 42 GLU N N 24 124.589 126.178 -1.589 1
1 253 . 17 1 1 A 43 43 ALA H H 25 7.839 7.565 0.274 1
1 254 . 17 1 1 A 43 43 ALA HA H 25 4.381 4.497 -0.116 1
1 258 . 17 1 1 A 43 43 ALA C C 25 175.842 176.870 -1.028 1
1 259 . 17 1 1 A 43 43 ALA CA C 25 50.319 51.361 -1.042 1
1 260 . 17 1 1 A 43 43 ALA CB C 25 18.563 18.748 -0.185 1
1 261 . 17 1 1 A 43 43 ALA N N 25 121.706 120.141 1.565 1
1 262 . 17 1 1 A 44 44 CYS H H 26 7.350 7.173 0.177 1
1 263 . 17 1 1 A 44 44 CYS HA H 26 3.757 4.622 -0.865 1
1 266 . 17 1 1 A 44 44 CYS C C 26 176.019 174.310 1.709 1
1 267 . 17 1 1 A 44 44 CYS CA C 26 62.696 59.478 3.218 1
1 268 . 17 1 1 A 44 44 CYS CB C 26 29.671 28.272 1.399 1
1 269 . 17 1 1 A 44 44 CYS N N 26 124.265 118.547 5.718 1
1 270 . 17 1 1 A 45 45 THR H H 27 7.872 8.879 -1.007 1
1 271 . 17 1 1 A 45 45 THR HA H 27 4.511 4.813 -0.302 1
1 276 . 17 1 1 A 45 45 THR C C 27 174.969 173.009 1.960 1
1 277 . 17 1 1 A 45 45 THR CA C 27 61.113 60.655 0.458 1
1 278 . 17 1 1 A 45 45 THR CB C 27 69.834 69.232 0.602 1
1 280 . 17 1 1 A 45 45 THR N N 27 115.292 120.578 -5.286 1
1 281 . 17 1 1 A 46 46 ASN H H 28 9.336 8.259 1.077 1
1 282 . 17 1 1 A 46 46 ASN HA H 28 4.430 4.973 -0.543 1
1 287 . 17 1 1 A 46 46 ASN C C 28 174.273 175.300 -1.027 1
1 288 . 17 1 1 A 46 46 ASN CA C 28 53.144 52.756 0.388 1
1 289 . 17 1 1 A 46 46 ASN CB C 28 38.500 40.162 -1.662 1
1 290 . 17 1 1 A 46 46 ASN N N 28 127.779 125.622 2.157 1
1 292 . 17 1 1 A 47 47 GLU H H 29 8.499 8.989 -0.490 1
1 293 . 17 1 1 A 47 47 GLU HA H 29 4.006 4.095 -0.089 1
1 298 . 17 1 1 A 47 47 GLU C C 29 175.815 176.724 -0.909 1
1 299 . 17 1 1 A 47 47 GLU CA C 29 58.111 58.786 -0.675 1
1 300 . 17 1 1 A 47 47 GLU CB C 29 29.070 28.920 0.150 1
1 302 . 17 1 1 A 47 47 GLU N N 29 123.804 125.107 -1.303 1
1 303 . 17 1 1 A 48 48 PHE H H 30 7.423 7.562 -0.139 1
1 304 . 17 1 1 A 48 48 PHE HA H 30 4.860 4.791 0.069 1
1 311 . 17 1 1 A 48 48 PHE C C 30 171.980 174.483 -2.503 1
1 312 . 17 1 1 A 48 48 PHE CA C 30 56.336 56.538 -0.202 1
1 313 . 17 1 1 A 48 48 PHE CB C 30 38.132 37.158 0.974 1
1 316 . 17 1 1 A 48 48 PHE N N 30 117.186 118.056 -0.870 1
1 317 . 17 1 1 A 49 49 CYS H H 31 7.420 7.917 -0.497 1
1 318 . 17 1 1 A 49 49 CYS HA H 31 4.264 4.622 -0.358 1
1 321 . 17 1 1 A 49 49 CYS C C 31 174.436 173.332 1.104 1
1 322 . 17 1 1 A 49 49 CYS CA C 31 57.047 58.307 -1.260 1
1 323 . 17 1 1 A 49 49 CYS CB C 31 33.492 31.950 1.542 1
1 324 . 17 1 1 A 49 49 CYS N N 31 121.843 122.249 -0.406 1
1 325 . 17 1 1 A 50 50 ALA H H 32 7.949 8.476 -0.527 1
1 326 . 17 1 1 A 50 50 ALA HA H 32 2.992 4.320 -1.328 1
1 330 . 17 1 1 A 50 50 ALA C C 32 178.762 178.145 0.617 1
1 331 . 17 1 1 A 50 50 ALA CA C 32 53.007 52.359 0.648 1
1 332 . 17 1 1 A 50 50 ALA CB C 32 17.007 19.448 -2.441 1
1 333 . 17 1 1 A 50 50 ALA N N 32 128.103 127.223 0.880 1
1 334 . 17 1 1 A 51 51 SER H H 33 9.507 8.752 0.755 1
1 335 . 17 1 1 A 51 51 SER HA H 33 4.299 4.113 0.186 1
1 338 . 17 1 1 A 51 51 SER C C 33 173.399 173.403 -0.004 1
1 339 . 17 1 1 A 51 51 SER CA C 33 60.840 60.172 0.668 1
1 340 . 17 1 1 A 51 51 SER CB C 33 63.679 61.632 2.047 1
1 341 . 17 1 1 A 51 51 SER N N 33 119.062 111.862 7.200 1
1 342 . 17 1 1 A 52 52 CYS H H 34 7.978 7.927 0.051 1
1 343 . 17 1 1 A 52 52 CYS HA H 34 4.652 4.945 -0.293 1
1 346 . 17 1 1 A 52 52 CYS CA C 34 55.835 56.705 -0.870 1
1 347 . 17 1 1 A 52 52 CYS CB C 34 27.879 29.113 -1.234 1
1 348 . 17 1 1 A 52 52 CYS N N 34 124.589 119.211 5.378 1
1 349 . 17 1 1 A 53 53 PRO HA H 35 4.393 4.370 0.023 1
1 356 . 17 1 1 A 53 53 PRO C C 35 177.889 177.596 0.293 1
1 357 . 17 1 1 A 53 53 PRO CA C 35 65.180 64.454 0.726 1
1 358 . 17 1 1 A 53 53 PRO CB C 35 32.850 31.910 0.940 1
1 361 . 17 1 1 A 54 54 THR H H 36 7.507 7.720 -0.213 1
1 362 . 17 1 1 A 54 54 THR HA H 36 4.314 4.249 0.065 1
1 367 . 17 1 1 A 54 54 THR C C 36 174.177 174.768 -0.591 1
1 368 . 17 1 1 A 54 54 THR CA C 36 61.195 63.784 -2.589 1
1 369 . 17 1 1 A 54 54 THR CB C 36 68.101 68.725 -0.624 1
1 371 . 17 1 1 A 54 54 THR N N 36 107.002 107.787 -0.785 1
1 372 . 17 1 1 A 55 55 PHE H H 37 7.716 7.957 -0.241 1
1 373 . 17 1 1 A 55 55 PHE HA H 37 4.204 4.857 -0.653 1
1 380 . 17 1 1 A 55 55 PHE C C 37 175.228 173.973 1.255 1
1 381 . 17 1 1 A 55 55 PHE CA C 37 58.875 57.135 1.740 1
1 382 . 17 1 1 A 55 55 PHE CB C 37 40.942 41.671 -0.729 1
1 385 . 17 1 1 A 55 55 PHE N N 37 124.794 123.523 1.271 1
1 386 . 17 1 1 A 56 56 LEU H H 38 7.490 8.331 -0.841 1
1 387 . 17 1 1 A 56 56 LEU HA H 38 4.310 4.851 -0.541 1
1 397 . 17 1 1 A 56 56 LEU C C 38 174.300 175.814 -1.514 1
1 398 . 17 1 1 A 56 56 LEU CA C 38 53.416 52.830 0.586 1
1 399 . 17 1 1 A 56 56 LEU CB C 38 41.386 44.741 -3.355 1
1 403 . 17 1 1 A 56 56 LEU N N 38 130.713 126.726 3.987 1
1 404 . 17 1 1 A 57 57 ARG H H 39 7.930 8.317 -0.387 1
1 405 . 17 1 1 A 57 57 ARG HA H 39 3.994 4.263 -0.269 1
1 412 . 17 1 1 A 57 57 ARG CA C 39 57.374 56.576 0.798 1
1 413 . 17 1 1 A 57 57 ARG CB C 39 30.517 30.716 -0.199 1
1 416 . 17 1 1 A 57 57 ARG N N 39 122.866 122.343 0.523 1
1 417 . 17 1 1 A 58 58 MET H H 40 8.408 8.770 -0.362 1
1 418 . 17 1 1 A 58 58 MET HA H 40 4.706 5.146 -0.440 1
1 423 . 17 1 1 A 58 58 MET C C 40 175.160 174.697 0.463 1
1 424 . 17 1 1 A 58 58 MET CA C 40 53.908 53.587 0.321 1
1 425 . 17 1 1 A 58 58 MET CB C 40 36.603 35.985 0.618 1
1 427 . 17 1 1 A 58 58 MET N N 40 121.024 120.401 0.623 1
1 428 . 17 1 1 A 59 59 ASP H H 41 8.419 8.791 -0.372 1
1 429 . 17 1 1 A 59 59 ASP HA H 41 4.588 4.725 -0.137 1
1 432 . 17 1 1 A 59 59 ASP CA C 41 53.699 54.459 -0.760 1
1 433 . 17 1 1 A 59 59 ASP CB C 41 41.540 41.987 -0.447 1
1 434 . 17 1 1 A 59 59 ASP N N 41 120.478 120.551 -0.073 1
1 435 . 17 1 1 A 60 60 ASN HA H 42 4.317 4.521 -0.204 1
1 440 . 17 1 1 A 60 60 ASN C C 42 177.739 177.983 -0.244 1
1 441 . 17 1 1 A 60 60 ASN CA C 42 56.637 55.956 0.681 1
1 442 . 17 1 1 A 60 60 ASN CB C 42 37.586 38.164 -0.578 1
1 444 . 17 1 1 A 61 61 ASN H H 43 8.442 8.216 0.226 1
1 445 . 17 1 1 A 61 61 ASN HA H 43 4.450 4.551 -0.101 1
1 448 . 17 1 1 A 61 61 ASN C C 43 177.439 177.650 -0.211 1
1 449 . 17 1 1 A 61 61 ASN CA C 43 56.528 56.203 0.325 1
1 450 . 17 1 1 A 61 61 ASN CB C 43 38.023 38.410 -0.387 1
1 451 . 17 1 1 A 61 61 ASN N N 43 118.960 119.194 -0.234 1
1 452 . 17 1 1 A 62 62 ALA H H 44 8.229 8.097 0.132 1
1 453 . 17 1 1 A 62 62 ALA HA H 44 4.102 4.073 0.029 1
1 457 . 17 1 1 A 62 62 ALA C C 44 180.973 180.390 0.583 1
1 458 . 17 1 1 A 62 62 ALA CA C 44 54.672 54.908 -0.236 1
1 459 . 17 1 1 A 62 62 ALA CB C 44 18.466 18.250 0.216 1
1 460 . 17 1 1 A 62 62 ALA N N 44 123.651 122.476 1.175 1
1 461 . 17 1 1 A 63 63 ALA H H 45 8.779 8.052 0.727 1
1 462 . 17 1 1 A 63 63 ALA HA H 45 4.238 4.330 -0.092 1
1 466 . 17 1 1 A 63 63 ALA C C 45 178.680 179.812 -1.132 1
1 467 . 17 1 1 A 63 63 ALA CA C 45 54.945 55.082 -0.137 1
1 468 . 17 1 1 A 63 63 ALA CB C 45 18.685 18.596 0.089 1
1 469 . 17 1 1 A 63 63 ALA N N 45 121.928 119.916 2.012 1
1 470 . 17 1 1 A 64 64 ALA H H 46 8.024 8.026 -0.002 1
1 471 . 17 1 1 A 64 64 ALA HA H 46 4.109 4.204 -0.095 1
1 475 . 17 1 1 A 64 64 ALA C C 46 179.731 179.519 0.212 1
1 476 . 17 1 1 A 64 64 ALA CA C 46 55.873 55.190 0.683 1
1 477 . 17 1 1 A 64 64 ALA CB C 46 17.853 18.403 -0.550 1
1 478 . 17 1 1 A 64 64 ALA N N 46 121.126 120.326 0.800 1
1 479 . 17 1 1 A 65 65 ILE H H 47 7.220 7.771 -0.551 1
1 480 . 17 1 1 A 65 65 ILE HA H 47 3.740 3.618 0.122 1
1 490 . 17 1 1 A 65 65 ILE C C 47 179.049 178.249 0.800 1
1 491 . 17 1 1 A 65 65 ILE CA C 47 64.061 65.631 -1.570 1
1 492 . 17 1 1 A 65 65 ILE CB C 47 38.528 37.968 0.560 1
1 496 . 17 1 1 A 65 65 ILE N N 47 117.953 118.429 -0.476 1
1 497 . 17 1 1 A 66 66 LYS H H 48 8.363 8.085 0.278 1
1 498 . 17 1 1 A 66 66 LYS HA H 48 4.062 4.052 0.010 1
1 507 . 17 1 1 A 66 66 LYS C C 48 177.739 178.777 -1.038 1
1 508 . 17 1 1 A 66 66 LYS CA C 48 57.074 58.610 -1.536 1
1 509 . 17 1 1 A 66 66 LYS CB C 48 31.472 32.138 -0.666 1
1 513 . 17 1 1 A 66 66 LYS N N 48 121.894 120.889 1.005 1
1 514 . 17 1 1 A 67 67 ALA H H 49 8.730 8.249 0.481 1
1 515 . 17 1 1 A 67 67 ALA HA H 49 3.682 4.120 -0.438 1
1 519 . 17 1 1 A 67 67 ALA C C 49 178.339 180.264 -1.925 1
1 520 . 17 1 1 A 67 67 ALA CA C 49 56.037 55.073 0.964 1
1 521 . 17 1 1 A 67 67 ALA CB C 49 18.126 18.379 -0.253 1
1 522 . 17 1 1 A 67 67 ALA N N 49 121.723 122.279 -0.556 1
1 523 . 17 1 1 A 68 68 LEU H H 50 6.888 7.970 -1.082 1
1 524 . 17 1 1 A 68 68 LEU HA H 50 4.020 4.027 -0.007 1
1 534 . 17 1 1 A 68 68 LEU C C 50 178.776 179.364 -0.588 1
1 535 . 17 1 1 A 68 68 LEU CA C 50 57.892 57.743 0.149 1
1 536 . 17 1 1 A 68 68 LEU CB C 50 41.832 41.325 0.507 1
1 540 . 17 1 1 A 68 68 LEU N N 50 115.156 119.093 -3.937 1
1 541 . 17 1 1 A 69 69 GLU H H 51 7.216 7.730 -0.514 1
1 542 . 17 1 1 A 69 69 GLU HA H 51 3.836 4.007 -0.171 1
1 547 . 17 1 1 A 69 69 GLU C C 51 178.721 179.352 -0.631 1
1 548 . 17 1 1 A 69 69 GLU CA C 51 59.257 59.126 0.131 1
1 549 . 17 1 1 A 69 69 GLU CB C 51 29.343 29.833 -0.490 1
1 551 . 17 1 1 A 69 69 GLU N N 51 119.727 119.066 0.661 1
1 552 . 17 1 1 A 70 70 LEU H H 52 8.326 8.065 0.261 1
1 553 . 17 1 1 A 70 70 LEU HA H 52 3.501 3.709 -0.208 1
1 563 . 17 1 1 A 70 70 LEU C C 52 178.421 178.328 0.093 1
1 564 . 17 1 1 A 70 70 LEU CA C 52 56.814 56.916 -0.102 1
1 565 . 17 1 1 A 70 70 LEU CB C 52 39.497 40.678 -1.181 1
1 569 . 17 1 1 A 70 70 LEU N N 52 117.442 119.449 -2.007 1
1 570 . 17 1 1 A 71 71 TYR H H 53 7.440 7.715 -0.275 1
1 571 . 17 1 1 A 71 71 TYR HA H 53 4.010 3.861 0.149 1
1 578 . 17 1 1 A 71 71 TYR C C 53 177.602 177.880 -0.278 1
1 579 . 17 1 1 A 71 71 TYR CA C 53 60.751 61.255 -0.504 1
1 580 . 17 1 1 A 71 71 TYR CB C 53 38.221 38.327 -0.106 1
1 583 . 17 1 1 A 71 71 TYR N N 53 118.670 120.084 -1.414 1
1 584 . 17 1 1 A 72 72 LYS H H 54 7.720 8.028 -0.308 1
1 585 . 17 1 1 A 72 72 LYS HA H 54 3.543 3.789 -0.246 1
1 594 . 17 1 1 A 72 72 LYS C C 54 178.216 177.758 0.458 1
1 595 . 17 1 1 A 72 72 LYS CA C 54 59.475 58.740 0.735 1
1 596 . 17 1 1 A 72 72 LYS CB C 54 32.400 31.853 0.547 1
1 600 . 17 1 1 A 72 72 LYS N N 54 120.512 118.126 2.386 1
1 601 . 17 1 1 A 73 73 ILE H H 55 7.265 7.269 -0.004 1
1 602 . 17 1 1 A 73 73 ILE HA H 55 4.327 4.069 0.258 1
1 610 . 17 1 1 A 73 73 ILE CA C 55 60.625 61.475 -0.850 1
1 611 . 17 1 1 A 73 73 ILE CB C 55 38.244 39.033 -0.789 1
1 614 . 17 1 1 A 73 73 ILE N N 55 109.032 115.605 -6.573 1
1 615 . 17 1 1 A 74 74 ASN HA H 56 4.225 4.376 -0.151 1
1 620 . 17 1 1 A 74 74 ASN C C 56 174.532 174.205 0.327 1
1 621 . 17 1 1 A 74 74 ASN CA C 56 53.853 53.900 -0.047 1
1 622 . 17 1 1 A 74 74 ASN CB C 56 37.027 36.884 0.143 1
1 624 . 17 1 1 A 75 75 ALA H H 57 7.653 7.834 -0.181 1
1 625 . 17 1 1 A 75 75 ALA HA H 57 4.126 4.440 -0.314 1
1 629 . 17 1 1 A 75 75 ALA C C 57 177.848 176.786 1.062 1
1 630 . 17 1 1 A 75 75 ALA CA C 57 51.969 51.738 0.231 1
1 631 . 17 1 1 A 75 75 ALA CB C 57 20.500 20.427 0.073 1
1 632 . 17 1 1 A 75 75 ALA N N 57 119.216 119.921 -0.705 1
1 633 . 17 1 1 A 76 76 LYS H H 58 8.612 8.574 0.038 1
1 634 . 17 1 1 A 76 76 LYS HA H 58 3.999 4.352 -0.353 1
1 643 . 17 1 1 A 76 76 LYS C C 58 176.142 175.706 0.436 1
1 644 . 17 1 1 A 76 76 LYS CA C 58 58.220 56.421 1.799 1
1 645 . 17 1 1 A 76 76 LYS CB C 58 32.673 32.262 0.411 1
1 649 . 17 1 1 A 76 76 LYS N N 58 122.696 118.970 3.726 1
1 650 . 17 1 1 A 77 77 LEU H H 59 8.427 8.765 -0.338 1
1 651 . 17 1 1 A 77 77 LEU HA H 59 4.954 4.824 0.130 1
1 661 . 17 1 1 A 77 77 LEU C C 59 177.712 176.507 1.205 1
1 662 . 17 1 1 A 77 77 LEU CA C 59 52.843 54.686 -1.843 1
1 663 . 17 1 1 A 77 77 LEU CB C 59 43.611 43.586 0.025 1
1 667 . 17 1 1 A 77 77 LEU N N 59 129.775 126.818 2.957 1
1 668 . 17 1 1 A 78 78 CYS H H 60 8.573 8.823 -0.250 1
1 669 . 17 1 1 A 78 78 CYS HA H 60 3.938 4.695 -0.757 1
1 672 . 17 1 1 A 78 78 CYS C C 60 176.265 173.356 2.909 1
1 673 . 17 1 1 A 78 78 CYS CA C 60 61.768 58.365 3.403 1
1 674 . 17 1 1 A 78 78 CYS CB C 60 31.103 28.059 3.044 1
1 675 . 17 1 1 A 78 78 CYS N N 60 126.244 125.018 1.226 1
1 676 . 17 1 1 A 79 79 ASP H H 61 8.570 7.408 1.162 1
1 677 . 17 1 1 A 79 79 ASP HA H 61 4.765 5.074 -0.309 1
1 680 . 17 1 1 A 79 79 ASP CA C 61 52.464 50.510 1.954 1
1 681 . 17 1 1 A 79 79 ASP CB C 61 40.598 44.105 -3.507 1
1 682 . 17 1 1 A 79 79 ASP N N 61 123.037 123.297 -0.260 1
1 683 . 17 1 1 A 80 80 PRO HA H 62 4.351 4.847 -0.496 1
1 690 . 17 1 1 A 80 80 PRO C C 62 175.296 175.739 -0.443 1
1 691 . 17 1 1 A 80 80 PRO CA C 62 63.419 62.416 1.003 1
1 692 . 17 1 1 A 80 80 PRO CB C 62 31.963 31.590 0.373 1
1 695 . 17 1 1 A 81 81 HIS H H 63 8.283 8.827 -0.544 1
1 696 . 17 1 1 A 81 81 HIS HA H 63 4.737 5.060 -0.323 1
1 697 . 17 1 1 A 81 81 HIS CA C 63 54.272 53.132 1.140 1
1 698 . 17 1 1 A 81 81 HIS N N 63 122.934 123.541 -0.607 1
1 1 . 18 1 1 A 20 20 LYS HA H 2 4.205 3.980 0.225 1
1 8 . 18 1 1 A 20 20 LYS C C 2 176.538 176.911 -0.373 1
1 9 . 18 1 1 A 20 20 LYS CA C 2 56.364 57.099 -0.735 1
1 10 . 18 1 1 A 20 20 LYS CB C 2 30.708 30.872 -0.164 1
1 13 . 18 1 1 A 21 21 ARG H H 3 8.541 8.088 0.453 1
1 14 . 18 1 1 A 21 21 ARG N N 3 120.785 122.512 -1.727 1
1 15 . 18 1 1 A 22 22 ALA HA H 4 4.082 4.129 -0.047 1
1 19 . 18 1 1 A 22 22 ALA CA C 4 54.047 55.059 -1.012 1
1 20 . 18 1 1 A 22 22 ALA CB C 4 18.824 18.364 0.460 1
1 21 . 18 1 1 A 23 23 ALA HA H 5 4.177 4.188 -0.011 1
1 25 . 18 1 1 A 23 23 ALA C C 5 178.940 179.627 -0.687 1
1 26 . 18 1 1 A 23 23 ALA CA C 5 53.798 54.979 -1.181 1
1 27 . 18 1 1 A 23 23 ALA CB C 5 18.753 18.308 0.445 1
1 28 . 18 1 1 A 24 24 ALA H H 6 7.783 8.006 -0.223 1
1 29 . 18 1 1 A 24 24 ALA HA H 6 4.007 4.074 -0.067 1
1 33 . 18 1 1 A 24 24 ALA C C 6 178.203 179.639 -1.436 1
1 34 . 18 1 1 A 24 24 ALA CA C 6 54.590 55.030 -0.440 1
1 35 . 18 1 1 A 24 24 ALA CB C 6 18.494 18.088 0.406 1
1 36 . 18 1 1 A 24 24 ALA N N 6 121.484 119.964 1.520 1
1 37 . 18 1 1 A 25 25 LYS H H 7 7.921 7.769 0.152 1
1 38 . 18 1 1 A 25 25 LYS HA H 7 3.723 3.930 -0.207 1
1 47 . 18 1 1 A 25 25 LYS C C 7 178.121 178.764 -0.643 1
1 48 . 18 1 1 A 25 25 LYS CA C 7 59.475 58.836 0.639 1
1 49 . 18 1 1 A 25 25 LYS CB C 7 32.382 31.732 0.650 1
1 53 . 18 1 1 A 25 25 LYS N N 7 117.083 118.617 -1.534 1
1 54 . 18 1 1 A 26 26 HIS H H 8 7.810 7.977 -0.167 1
1 55 . 18 1 1 A 26 26 HIS HA H 8 4.327 4.181 0.146 1
1 58 . 18 1 1 A 26 26 HIS C C 8 175.774 177.121 -1.347 1
1 59 . 18 1 1 A 26 26 HIS CA C 8 58.657 58.670 -0.013 1
1 60 . 18 1 1 A 26 26 HIS CB C 8 30.271 29.943 0.328 1
1 61 . 18 1 1 A 26 26 HIS N N 8 117.117 119.443 -2.326 1
1 62 . 18 1 1 A 27 27 LEU H H 9 7.710 7.998 -0.288 1
1 63 . 18 1 1 A 27 27 LEU HA H 9 3.921 3.990 -0.069 1
1 72 . 18 1 1 A 27 27 LEU C C 9 178.585 178.848 -0.263 1
1 73 . 18 1 1 A 27 27 LEU CA C 9 58.002 57.235 0.767 1
1 74 . 18 1 1 A 27 27 LEU CB C 9 42.288 42.121 0.167 1
1 77 . 18 1 1 A 27 27 LEU N N 9 120.717 119.924 0.793 1
1 78 . 18 1 1 A 28 28 ILE H H 10 8.559 7.957 0.602 1
1 79 . 18 1 1 A 28 28 ILE HA H 10 3.656 3.612 0.044 1
1 89 . 18 1 1 A 28 28 ILE C C 10 178.148 178.315 -0.167 1
1 90 . 18 1 1 A 28 28 ILE CA C 10 66.845 64.942 1.903 1
1 91 . 18 1 1 A 28 28 ILE CB C 10 37.913 37.426 0.487 1
1 95 . 18 1 1 A 28 28 ILE N N 10 120.086 119.903 0.183 1
1 96 . 18 1 1 A 29 29 GLU H H 11 7.849 8.036 -0.187 1
1 97 . 18 1 1 A 29 29 GLU HA H 11 4.013 4.141 -0.128 1
1 102 . 18 1 1 A 29 29 GLU C C 11 179.376 179.137 0.239 1
1 103 . 18 1 1 A 29 29 GLU CA C 11 59.584 59.178 0.406 1
1 104 . 18 1 1 A 29 29 GLU CB C 11 29.070 29.274 -0.204 1
1 106 . 18 1 1 A 29 29 GLU N N 11 118.346 121.471 -3.125 1
1 107 . 18 1 1 A 30 30 ARG H H 12 7.839 7.585 0.254 1
1 108 . 18 1 1 A 30 30 ARG HA H 12 4.064 3.920 0.144 1
1 115 . 18 1 1 A 30 30 ARG C C 12 180.318 178.702 1.616 1
1 116 . 18 1 1 A 30 30 ARG CA C 12 59.585 59.592 -0.007 1
1 117 . 18 1 1 A 30 30 ARG CB C 12 29.234 29.650 -0.416 1
1 120 . 18 1 1 A 30 30 ARG N N 12 120.904 119.116 1.788 1
1 121 . 18 1 1 A 31 31 TYR H H 13 8.545 7.697 0.848 1
1 122 . 18 1 1 A 31 31 TYR HA H 13 4.064 4.245 -0.181 1
1 129 . 18 1 1 A 31 31 TYR C C 13 177.725 178.467 -0.742 1
1 130 . 18 1 1 A 31 31 TYR CA C 13 63.351 60.235 3.116 1
1 131 . 18 1 1 A 31 31 TYR CB C 13 38.623 38.024 0.599 1
1 134 . 18 1 1 A 31 31 TYR N N 13 120.393 119.684 0.709 1
1 135 . 18 1 1 A 32 32 TYR H H 14 8.783 8.391 0.392 1
1 136 . 18 1 1 A 32 32 TYR HA H 14 3.948 4.318 -0.370 1
1 143 . 18 1 1 A 32 32 TYR C C 14 178.599 177.519 1.080 1
1 144 . 18 1 1 A 32 32 TYR CA C 14 62.669 61.474 1.195 1
1 145 . 18 1 1 A 32 32 TYR CB C 14 38.350 38.313 0.037 1
1 148 . 18 1 1 A 32 32 TYR N N 14 120.342 120.535 -0.193 1
1 149 . 18 1 1 A 33 33 HIS H H 15 8.740 8.423 0.317 1
1 150 . 18 1 1 A 33 33 HIS HA H 15 3.906 4.166 -0.260 1
1 153 . 18 1 1 A 33 33 HIS C C 15 177.834 176.930 0.904 1
1 154 . 18 1 1 A 33 33 HIS CA C 15 60.622 60.103 0.519 1
1 155 . 18 1 1 A 33 33 HIS CB C 15 30.599 29.359 1.240 1
1 156 . 18 1 1 A 33 33 HIS N N 15 121.297 119.224 2.073 1
1 157 . 18 1 1 A 34 34 GLN H H 16 8.371 7.862 0.509 1
1 158 . 18 1 1 A 34 34 GLN HA H 16 3.709 4.115 -0.406 1
1 165 . 18 1 1 A 34 34 GLN C C 16 176.238 177.548 -1.310 1
1 166 . 18 1 1 A 34 34 GLN CA C 16 60.185 58.780 1.405 1
1 167 . 18 1 1 A 34 34 GLN CB C 16 30.653 28.974 1.679 1
1 169 . 18 1 1 A 34 34 GLN N N 16 122.576 118.177 4.399 1
1 171 . 18 1 1 A 35 35 LEU H H 17 7.916 7.423 0.493 1
1 172 . 18 1 1 A 35 35 LEU HA H 17 3.978 3.885 0.093 1
1 182 . 18 1 1 A 35 35 LEU C C 17 175.624 179.107 -3.483 1
1 183 . 18 1 1 A 35 35 LEU CA C 17 56.377 57.214 -0.837 1
1 184 . 18 1 1 A 35 35 LEU CB C 17 45.098 42.538 2.560 1
1 188 . 18 1 1 A 35 35 LEU N N 17 116.299 118.732 -2.433 1
1 189 . 18 1 1 A 36 36 THR H H 18 7.148 8.003 -0.855 1
1 190 . 18 1 1 A 36 36 THR HA H 18 4.215 3.965 0.250 1
1 195 . 18 1 1 A 36 36 THR C C 18 174.709 176.052 -1.343 1
1 196 . 18 1 1 A 36 36 THR CA C 18 61.522 65.353 -3.831 1
1 197 . 18 1 1 A 36 36 THR CB C 18 70.434 68.242 2.192 1
1 199 . 18 1 1 A 36 36 THR N N 18 105.023 109.638 -4.615 1
1 200 . 18 1 1 A 37 37 GLU H H 19 8.234 7.829 0.405 1
1 201 . 18 1 1 A 37 37 GLU HA H 19 4.187 4.273 -0.086 1
1 206 . 18 1 1 A 37 37 GLU C C 19 177.657 177.222 0.435 1
1 207 . 18 1 1 A 37 37 GLU CA C 19 56.855 56.365 0.490 1
1 208 . 18 1 1 A 37 37 GLU CB C 19 30.872 30.408 0.464 1
1 210 . 18 1 1 A 37 37 GLU N N 19 122.559 118.779 3.780 1
1 211 . 18 1 1 A 38 38 GLY H H 20 7.485 7.818 -0.333 1
1 212 . 18 1 1 A 38 38 GLY HA2 H 20 4.586 3.841 0.745 1
1 213 . 18 1 1 A 38 38 GLY HA3 H 20 4.358 3.874 0.484 1
1 214 . 18 1 1 A 38 38 GLY C C 20 172.976 174.439 -1.463 1
1 215 . 18 1 1 A 38 38 GLY CA C 20 44.177 45.991 -1.814 1
1 216 . 18 1 1 A 38 38 GLY N N 20 107.019 106.529 0.490 1
1 217 . 18 1 1 A 39 39 CYS H H 21 7.410 8.043 -0.633 1
1 218 . 18 1 1 A 39 39 CYS HA H 21 4.498 4.646 -0.148 1
1 221 . 18 1 1 A 39 39 CYS C C 21 176.865 175.609 1.256 1
1 222 . 18 1 1 A 39 39 CYS CA C 21 58.493 58.298 0.195 1
1 223 . 18 1 1 A 39 39 CYS CB C 21 31.636 28.969 2.667 1
1 224 . 18 1 1 A 39 39 CYS N N 21 118.260 122.394 -4.134 1
1 225 . 18 1 1 A 40 40 GLY H H 22 8.670 7.824 0.846 1
1 226 . 18 1 1 A 40 40 GLY HA2 H 22 4.260 3.942 0.318 1
1 227 . 18 1 1 A 40 40 GLY HA3 H 22 3.505 3.951 -0.446 1
1 228 . 18 1 1 A 40 40 GLY C C 22 173.618 174.183 -0.565 1
1 229 . 18 1 1 A 40 40 GLY CA C 22 45.188 45.229 -0.041 1
1 230 . 18 1 1 A 40 40 GLY N N 22 112.324 110.530 1.794 1
1 231 . 18 1 1 A 41 41 ASN H H 23 8.379 7.974 0.405 1
1 232 . 18 1 1 A 41 41 ASN HA H 23 4.452 4.654 -0.202 1
1 237 . 18 1 1 A 41 41 ASN C C 23 175.132 177.272 -2.140 1
1 238 . 18 1 1 A 41 41 ASN CA C 23 52.106 53.770 -1.664 1
1 239 . 18 1 1 A 41 41 ASN CB C 23 38.678 38.561 0.117 1
1 240 . 18 1 1 A 41 41 ASN N N 23 122.184 119.620 2.564 1
1 242 . 18 1 1 A 42 42 GLU H H 24 8.769 8.819 -0.050 1
1 243 . 18 1 1 A 42 42 GLU HA H 24 4.167 4.098 0.069 1
1 248 . 18 1 1 A 42 42 GLU C C 24 175.801 176.803 -1.002 1
1 249 . 18 1 1 A 42 42 GLU CA C 24 57.947 58.855 -0.908 1
1 250 . 18 1 1 A 42 42 GLU CB C 24 29.016 29.238 -0.222 1
1 252 . 18 1 1 A 42 42 GLU N N 24 124.589 123.932 0.657 1
1 253 . 18 1 1 A 43 43 ALA H H 25 7.839 7.909 -0.070 1
1 254 . 18 1 1 A 43 43 ALA HA H 25 4.381 4.490 -0.109 1
1 258 . 18 1 1 A 43 43 ALA C C 25 175.842 176.287 -0.445 1
1 259 . 18 1 1 A 43 43 ALA CA C 25 50.319 50.975 -0.656 1
1 260 . 18 1 1 A 43 43 ALA CB C 25 18.563 19.133 -0.570 1
1 261 . 18 1 1 A 43 43 ALA N N 25 121.706 121.401 0.305 1
1 262 . 18 1 1 A 44 44 CYS H H 26 7.350 8.269 -0.919 1
1 263 . 18 1 1 A 44 44 CYS HA H 26 3.757 4.558 -0.801 1
1 266 . 18 1 1 A 44 44 CYS C C 26 176.019 175.491 0.528 1
1 267 . 18 1 1 A 44 44 CYS CA C 26 62.696 59.135 3.561 1
1 268 . 18 1 1 A 44 44 CYS CB C 26 29.671 28.326 1.345 1
1 269 . 18 1 1 A 44 44 CYS N N 26 124.265 120.786 3.479 1
1 270 . 18 1 1 A 45 45 THR H H 27 7.872 8.726 -0.854 1
1 271 . 18 1 1 A 45 45 THR HA H 27 4.511 4.642 -0.131 1
1 276 . 18 1 1 A 45 45 THR C C 27 174.969 173.170 1.799 1
1 277 . 18 1 1 A 45 45 THR CA C 27 61.113 60.350 0.763 1
1 278 . 18 1 1 A 45 45 THR CB C 27 69.834 68.763 1.071 1
1 280 . 18 1 1 A 45 45 THR N N 27 115.292 116.913 -1.621 1
1 281 . 18 1 1 A 46 46 ASN H H 28 9.336 8.033 1.303 1
1 282 . 18 1 1 A 46 46 ASN HA H 28 4.430 4.928 -0.498 1
1 287 . 18 1 1 A 46 46 ASN C C 28 174.273 175.090 -0.817 1
1 288 . 18 1 1 A 46 46 ASN CA C 28 53.144 52.758 0.386 1
1 289 . 18 1 1 A 46 46 ASN CB C 28 38.500 40.234 -1.734 1
1 290 . 18 1 1 A 46 46 ASN N N 28 127.779 121.361 6.418 1
1 292 . 18 1 1 A 47 47 GLU H H 29 8.499 8.974 -0.475 1
1 293 . 18 1 1 A 47 47 GLU HA H 29 4.006 4.083 -0.077 1
1 298 . 18 1 1 A 47 47 GLU C C 29 175.815 177.002 -1.187 1
1 299 . 18 1 1 A 47 47 GLU CA C 29 58.111 58.605 -0.494 1
1 300 . 18 1 1 A 47 47 GLU CB C 29 29.070 28.871 0.199 1
1 302 . 18 1 1 A 47 47 GLU N N 29 123.804 125.316 -1.512 1
1 303 . 18 1 1 A 48 48 PHE H H 30 7.423 7.353 0.070 1
1 304 . 18 1 1 A 48 48 PHE HA H 30 4.860 4.763 0.097 1
1 311 . 18 1 1 A 48 48 PHE C C 30 171.980 175.000 -3.020 1
1 312 . 18 1 1 A 48 48 PHE CA C 30 56.336 57.552 -1.216 1
1 313 . 18 1 1 A 48 48 PHE CB C 30 38.132 38.357 -0.225 1
1 316 . 18 1 1 A 48 48 PHE N N 30 117.186 118.473 -1.287 1
1 317 . 18 1 1 A 49 49 CYS H H 31 7.420 7.674 -0.254 1
1 318 . 18 1 1 A 49 49 CYS HA H 31 4.264 4.751 -0.487 1
1 321 . 18 1 1 A 49 49 CYS C C 31 174.436 172.922 1.514 1
1 322 . 18 1 1 A 49 49 CYS CA C 31 57.047 57.660 -0.613 1
1 323 . 18 1 1 A 49 49 CYS CB C 31 33.492 31.349 2.143 1
1 324 . 18 1 1 A 49 49 CYS N N 31 121.843 117.766 4.077 1
1 325 . 18 1 1 A 50 50 ALA H H 32 7.949 8.142 -0.193 1
1 326 . 18 1 1 A 50 50 ALA HA H 32 2.992 4.045 -1.053 1
1 330 . 18 1 1 A 50 50 ALA C C 32 178.762 177.814 0.948 1
1 331 . 18 1 1 A 50 50 ALA CA C 32 53.007 51.764 1.243 1
1 332 . 18 1 1 A 50 50 ALA CB C 32 17.007 19.654 -2.647 1
1 333 . 18 1 1 A 50 50 ALA N N 32 128.103 126.646 1.457 1
1 334 . 18 1 1 A 51 51 SER H H 33 9.507 8.664 0.843 1
1 335 . 18 1 1 A 51 51 SER HA H 33 4.299 4.066 0.233 1
1 338 . 18 1 1 A 51 51 SER C C 33 173.399 173.713 -0.314 1
1 339 . 18 1 1 A 51 51 SER CA C 33 60.840 60.518 0.322 1
1 340 . 18 1 1 A 51 51 SER CB C 33 63.679 61.733 1.946 1
1 341 . 18 1 1 A 51 51 SER N N 33 119.062 111.112 7.950 1
1 342 . 18 1 1 A 52 52 CYS H H 34 7.978 7.801 0.177 1
1 343 . 18 1 1 A 52 52 CYS HA H 34 4.652 4.797 -0.145 1
1 346 . 18 1 1 A 52 52 CYS CA C 34 55.835 57.259 -1.424 1
1 347 . 18 1 1 A 52 52 CYS CB C 34 27.879 28.726 -0.847 1
1 348 . 18 1 1 A 52 52 CYS N N 34 124.589 119.856 4.733 1
1 349 . 18 1 1 A 53 53 PRO HA H 35 4.393 4.477 -0.084 1
1 356 . 18 1 1 A 53 53 PRO C C 35 177.889 177.280 0.609 1
1 357 . 18 1 1 A 53 53 PRO CA C 35 65.180 64.325 0.855 1
1 358 . 18 1 1 A 53 53 PRO CB C 35 32.850 31.965 0.885 1
1 361 . 18 1 1 A 54 54 THR H H 36 7.507 7.638 -0.131 1
1 362 . 18 1 1 A 54 54 THR HA H 36 4.314 4.313 0.001 1
1 367 . 18 1 1 A 54 54 THR C C 36 174.177 174.934 -0.757 1
1 368 . 18 1 1 A 54 54 THR CA C 36 61.195 62.302 -1.107 1
1 369 . 18 1 1 A 54 54 THR CB C 36 68.101 69.333 -1.232 1
1 371 . 18 1 1 A 54 54 THR N N 36 107.002 107.748 -0.746 1
1 372 . 18 1 1 A 55 55 PHE H H 37 7.716 7.528 0.188 1
1 373 . 18 1 1 A 55 55 PHE HA H 37 4.204 4.604 -0.400 1
1 380 . 18 1 1 A 55 55 PHE C C 37 175.228 174.722 0.506 1
1 381 . 18 1 1 A 55 55 PHE CA C 37 58.875 59.001 -0.126 1
1 382 . 18 1 1 A 55 55 PHE CB C 37 40.942 40.245 0.697 1
1 385 . 18 1 1 A 55 55 PHE N N 37 124.794 123.989 0.805 1
1 386 . 18 1 1 A 56 56 LEU H H 38 7.490 8.021 -0.531 1
1 387 . 18 1 1 A 56 56 LEU HA H 38 4.310 4.935 -0.625 1
1 397 . 18 1 1 A 56 56 LEU C C 38 174.300 175.517 -1.217 1
1 398 . 18 1 1 A 56 56 LEU CA C 38 53.416 53.321 0.095 1
1 399 . 18 1 1 A 56 56 LEU CB C 38 41.386 45.505 -4.119 1
1 403 . 18 1 1 A 56 56 LEU N N 38 130.713 127.871 2.842 1
1 404 . 18 1 1 A 57 57 ARG H H 39 7.930 8.295 -0.365 1
1 405 . 18 1 1 A 57 57 ARG HA H 39 3.994 4.388 -0.394 1
1 412 . 18 1 1 A 57 57 ARG CA C 39 57.374 56.753 0.621 1
1 413 . 18 1 1 A 57 57 ARG CB C 39 30.517 31.026 -0.509 1
1 416 . 18 1 1 A 57 57 ARG N N 39 122.866 125.274 -2.408 1
1 417 . 18 1 1 A 58 58 MET H H 40 8.408 8.730 -0.322 1
1 418 . 18 1 1 A 58 58 MET HA H 40 4.706 5.082 -0.376 1
1 423 . 18 1 1 A 58 58 MET C C 40 175.160 173.852 1.308 1
1 424 . 18 1 1 A 58 58 MET CA C 40 53.908 53.354 0.554 1
1 425 . 18 1 1 A 58 58 MET CB C 40 36.603 36.456 0.147 1
1 427 . 18 1 1 A 58 58 MET N N 40 121.024 119.055 1.969 1
1 428 . 18 1 1 A 59 59 ASP H H 41 8.419 8.820 -0.401 1
1 429 . 18 1 1 A 59 59 ASP HA H 41 4.588 4.752 -0.164 1
1 432 . 18 1 1 A 59 59 ASP CA C 41 53.699 54.186 -0.487 1
1 433 . 18 1 1 A 59 59 ASP CB C 41 41.540 42.643 -1.103 1
1 434 . 18 1 1 A 59 59 ASP N N 41 120.478 120.987 -0.509 1
1 435 . 18 1 1 A 60 60 ASN HA H 42 4.317 4.415 -0.098 1
1 440 . 18 1 1 A 60 60 ASN C C 42 177.739 177.984 -0.245 1
1 441 . 18 1 1 A 60 60 ASN CA C 42 56.637 56.065 0.572 1
1 442 . 18 1 1 A 60 60 ASN CB C 42 37.586 37.544 0.042 1
1 444 . 18 1 1 A 61 61 ASN H H 43 8.442 7.862 0.580 1
1 445 . 18 1 1 A 61 61 ASN HA H 43 4.450 4.585 -0.135 1
1 448 . 18 1 1 A 61 61 ASN C C 43 177.439 177.581 -0.142 1
1 449 . 18 1 1 A 61 61 ASN CA C 43 56.528 56.367 0.161 1
1 450 . 18 1 1 A 61 61 ASN CB C 43 38.023 38.348 -0.325 1
1 451 . 18 1 1 A 61 61 ASN N N 43 118.960 119.002 -0.042 1
1 452 . 18 1 1 A 62 62 ALA H H 44 8.229 8.068 0.161 1
1 453 . 18 1 1 A 62 62 ALA HA H 44 4.102 4.195 -0.093 1
1 457 . 18 1 1 A 62 62 ALA C C 44 180.973 180.104 0.869 1
1 458 . 18 1 1 A 62 62 ALA CA C 44 54.672 54.767 -0.095 1
1 459 . 18 1 1 A 62 62 ALA CB C 44 18.466 18.324 0.142 1
1 460 . 18 1 1 A 62 62 ALA N N 44 123.651 122.742 0.909 1
1 461 . 18 1 1 A 63 63 ALA H H 45 8.779 8.061 0.718 1
1 462 . 18 1 1 A 63 63 ALA HA H 45 4.238 4.229 0.009 1
1 466 . 18 1 1 A 63 63 ALA C C 45 178.680 179.530 -0.850 1
1 467 . 18 1 1 A 63 63 ALA CA C 45 54.945 54.947 -0.002 1
1 468 . 18 1 1 A 63 63 ALA CB C 45 18.685 18.250 0.435 1
1 469 . 18 1 1 A 63 63 ALA N N 45 121.928 120.411 1.517 1
1 470 . 18 1 1 A 64 64 ALA H H 46 8.024 7.978 0.046 1
1 471 . 18 1 1 A 64 64 ALA HA H 46 4.109 4.360 -0.251 1
1 475 . 18 1 1 A 64 64 ALA C C 46 179.731 179.712 0.019 1
1 476 . 18 1 1 A 64 64 ALA CA C 46 55.873 55.296 0.577 1
1 477 . 18 1 1 A 64 64 ALA CB C 46 17.853 18.432 -0.579 1
1 478 . 18 1 1 A 64 64 ALA N N 46 121.126 120.643 0.483 1
1 479 . 18 1 1 A 65 65 ILE H H 47 7.220 7.969 -0.749 1
1 480 . 18 1 1 A 65 65 ILE HA H 47 3.740 3.635 0.105 1
1 490 . 18 1 1 A 65 65 ILE C C 47 179.049 178.145 0.904 1
1 491 . 18 1 1 A 65 65 ILE CA C 47 64.061 65.618 -1.557 1
1 492 . 18 1 1 A 65 65 ILE CB C 47 38.528 37.782 0.746 1
1 496 . 18 1 1 A 65 65 ILE N N 47 117.953 118.500 -0.547 1
1 497 . 18 1 1 A 66 66 LYS H H 48 8.363 8.057 0.306 1
1 498 . 18 1 1 A 66 66 LYS HA H 48 4.062 4.044 0.018 1
1 507 . 18 1 1 A 66 66 LYS C C 48 177.739 178.784 -1.045 1
1 508 . 18 1 1 A 66 66 LYS CA C 48 57.074 58.754 -1.680 1
1 509 . 18 1 1 A 66 66 LYS CB C 48 31.472 32.298 -0.826 1
1 513 . 18 1 1 A 66 66 LYS N N 48 121.894 121.131 0.763 1
1 514 . 18 1 1 A 67 67 ALA H H 49 8.730 8.280 0.450 1
1 515 . 18 1 1 A 67 67 ALA HA H 49 3.682 4.178 -0.496 1
1 519 . 18 1 1 A 67 67 ALA C C 49 178.339 180.525 -2.186 1
1 520 . 18 1 1 A 67 67 ALA CA C 49 56.037 55.089 0.948 1
1 521 . 18 1 1 A 67 67 ALA CB C 49 18.126 18.365 -0.239 1
1 522 . 18 1 1 A 67 67 ALA N N 49 121.723 122.410 -0.687 1
1 523 . 18 1 1 A 68 68 LEU H H 50 6.888 8.059 -1.171 1
1 524 . 18 1 1 A 68 68 LEU HA H 50 4.020 4.102 -0.082 1
1 534 . 18 1 1 A 68 68 LEU C C 50 178.776 179.162 -0.386 1
1 535 . 18 1 1 A 68 68 LEU CA C 50 57.892 57.563 0.329 1
1 536 . 18 1 1 A 68 68 LEU CB C 50 41.832 41.550 0.282 1
1 540 . 18 1 1 A 68 68 LEU N N 50 115.156 120.221 -5.065 1
1 541 . 18 1 1 A 69 69 GLU H H 51 7.216 8.001 -0.785 1
1 542 . 18 1 1 A 69 69 GLU HA H 51 3.836 4.049 -0.213 1
1 547 . 18 1 1 A 69 69 GLU C C 51 178.721 179.669 -0.948 1
1 548 . 18 1 1 A 69 69 GLU CA C 51 59.257 59.203 0.054 1
1 549 . 18 1 1 A 69 69 GLU CB C 51 29.343 29.444 -0.101 1
1 551 . 18 1 1 A 69 69 GLU N N 51 119.727 119.346 0.381 1
1 552 . 18 1 1 A 70 70 LEU H H 52 8.326 7.951 0.375 1
1 553 . 18 1 1 A 70 70 LEU HA H 52 3.501 3.766 -0.265 1
1 563 . 18 1 1 A 70 70 LEU C C 52 178.421 178.225 0.196 1
1 564 . 18 1 1 A 70 70 LEU CA C 52 56.814 57.156 -0.342 1
1 565 . 18 1 1 A 70 70 LEU CB C 52 39.497 41.804 -2.307 1
1 569 . 18 1 1 A 70 70 LEU N N 52 117.442 119.634 -2.192 1
1 570 . 18 1 1 A 71 71 TYR H H 53 7.440 8.125 -0.685 1
1 571 . 18 1 1 A 71 71 TYR HA H 53 4.010 3.749 0.261 1
1 578 . 18 1 1 A 71 71 TYR C C 53 177.602 177.960 -0.358 1
1 579 . 18 1 1 A 71 71 TYR CA C 53 60.751 61.170 -0.419 1
1 580 . 18 1 1 A 71 71 TYR CB C 53 38.221 38.660 -0.439 1
1 583 . 18 1 1 A 71 71 TYR N N 53 118.670 119.468 -0.798 1
1 584 . 18 1 1 A 72 72 LYS H H 54 7.720 8.059 -0.339 1
1 585 . 18 1 1 A 72 72 LYS HA H 54 3.543 3.905 -0.362 1
1 594 . 18 1 1 A 72 72 LYS C C 54 178.216 177.998 0.218 1
1 595 . 18 1 1 A 72 72 LYS CA C 54 59.475 59.013 0.462 1
1 596 . 18 1 1 A 72 72 LYS CB C 54 32.400 32.001 0.399 1
1 600 . 18 1 1 A 72 72 LYS N N 54 120.512 118.009 2.503 1
1 601 . 18 1 1 A 73 73 ILE H H 55 7.265 7.149 0.116 1
1 602 . 18 1 1 A 73 73 ILE HA H 55 4.327 4.060 0.267 1
1 610 . 18 1 1 A 73 73 ILE CA C 55 60.625 60.939 -0.314 1
1 611 . 18 1 1 A 73 73 ILE CB C 55 38.244 38.259 -0.015 1
1 614 . 18 1 1 A 73 73 ILE N N 55 109.032 115.240 -6.208 1
1 615 . 18 1 1 A 74 74 ASN HA H 56 4.225 4.259 -0.034 1
1 620 . 18 1 1 A 74 74 ASN C C 56 174.532 174.594 -0.062 1
1 621 . 18 1 1 A 74 74 ASN CA C 56 53.853 54.217 -0.364 1
1 622 . 18 1 1 A 74 74 ASN CB C 56 37.027 36.720 0.307 1
1 624 . 18 1 1 A 75 75 ALA H H 57 7.653 7.486 0.167 1
1 625 . 18 1 1 A 75 75 ALA HA H 57 4.126 4.312 -0.186 1
1 629 . 18 1 1 A 75 75 ALA C C 57 177.848 177.406 0.442 1
1 630 . 18 1 1 A 75 75 ALA CA C 57 51.969 51.765 0.204 1
1 631 . 18 1 1 A 75 75 ALA CB C 57 20.500 20.111 0.389 1
1 632 . 18 1 1 A 75 75 ALA N N 57 119.216 119.342 -0.126 1
1 633 . 18 1 1 A 76 76 LYS H H 58 8.612 8.596 0.016 1
1 634 . 18 1 1 A 76 76 LYS HA H 58 3.999 4.395 -0.396 1
1 643 . 18 1 1 A 76 76 LYS C C 58 176.142 175.750 0.392 1
1 644 . 18 1 1 A 76 76 LYS CA C 58 58.220 56.234 1.986 1
1 645 . 18 1 1 A 76 76 LYS CB C 58 32.673 31.924 0.749 1
1 649 . 18 1 1 A 76 76 LYS N N 58 122.696 119.810 2.886 1
1 650 . 18 1 1 A 77 77 LEU H H 59 8.427 8.984 -0.557 1
1 651 . 18 1 1 A 77 77 LEU HA H 59 4.954 5.162 -0.208 1
1 661 . 18 1 1 A 77 77 LEU C C 59 177.712 175.162 2.550 1
1 662 . 18 1 1 A 77 77 LEU CA C 59 52.843 54.022 -1.179 1
1 663 . 18 1 1 A 77 77 LEU CB C 59 43.611 43.014 0.597 1
1 667 . 18 1 1 A 77 77 LEU N N 59 129.775 126.949 2.826 1
1 668 . 18 1 1 A 78 78 CYS H H 60 8.573 8.626 -0.053 1
1 669 . 18 1 1 A 78 78 CYS HA H 60 3.938 4.522 -0.584 1
1 672 . 18 1 1 A 78 78 CYS C C 60 176.265 173.515 2.750 1
1 673 . 18 1 1 A 78 78 CYS CA C 60 61.768 58.251 3.517 1
1 674 . 18 1 1 A 78 78 CYS CB C 60 31.103 26.098 5.005 1
1 675 . 18 1 1 A 78 78 CYS N N 60 126.244 127.208 -0.964 1
1 676 . 18 1 1 A 79 79 ASP H H 61 8.570 7.682 0.888 1
1 677 . 18 1 1 A 79 79 ASP HA H 61 4.765 4.922 -0.157 1
1 680 . 18 1 1 A 79 79 ASP CA C 61 52.464 51.755 0.709 1
1 681 . 18 1 1 A 79 79 ASP CB C 61 40.598 41.017 -0.419 1
1 682 . 18 1 1 A 79 79 ASP N N 61 123.037 123.053 -0.016 1
1 683 . 18 1 1 A 80 80 PRO HA H 62 4.351 4.345 0.006 1
1 690 . 18 1 1 A 80 80 PRO C C 62 175.296 175.944 -0.648 1
1 691 . 18 1 1 A 80 80 PRO CA C 62 63.419 63.133 0.286 1
1 692 . 18 1 1 A 80 80 PRO CB C 62 31.963 31.431 0.532 1
1 695 . 18 1 1 A 81 81 HIS H H 63 8.283 8.360 -0.077 1
1 696 . 18 1 1 A 81 81 HIS HA H 63 4.737 4.865 -0.128 1
1 697 . 18 1 1 A 81 81 HIS CA C 63 54.272 54.063 0.209 1
1 698 . 18 1 1 A 81 81 HIS N N 63 122.934 122.539 0.395 1
1 1 . 19 1 1 A 20 20 LYS HA H 2 4.205 4.183 0.022 1
1 8 . 19 1 1 A 20 20 LYS C C 2 176.538 176.014 0.524 1
1 9 . 19 1 1 A 20 20 LYS CA C 2 56.364 56.318 0.046 1
1 10 . 19 1 1 A 20 20 LYS CB C 2 30.708 32.822 -2.114 1
1 13 . 19 1 1 A 21 21 ARG H H 3 8.541 8.463 0.078 1
1 14 . 19 1 1 A 21 21 ARG N N 3 120.785 125.100 -4.315 1
1 15 . 19 1 1 A 22 22 ALA HA H 4 4.082 4.013 0.069 1
1 19 . 19 1 1 A 22 22 ALA CA C 4 54.047 55.170 -1.123 1
1 20 . 19 1 1 A 22 22 ALA CB C 4 18.824 18.148 0.676 1
1 21 . 19 1 1 A 23 23 ALA HA H 5 4.177 4.120 0.057 1
1 25 . 19 1 1 A 23 23 ALA C C 5 178.940 178.939 0.001 1
1 26 . 19 1 1 A 23 23 ALA CA C 5 53.798 55.156 -1.358 1
1 27 . 19 1 1 A 23 23 ALA CB C 5 18.753 18.627 0.126 1
1 28 . 19 1 1 A 24 24 ALA H H 6 7.783 8.004 -0.221 1
1 29 . 19 1 1 A 24 24 ALA HA H 6 4.007 4.269 -0.262 1
1 33 . 19 1 1 A 24 24 ALA C C 6 178.203 179.251 -1.048 1
1 34 . 19 1 1 A 24 24 ALA CA C 6 54.590 55.446 -0.856 1
1 35 . 19 1 1 A 24 24 ALA CB C 6 18.494 18.234 0.260 1
1 36 . 19 1 1 A 24 24 ALA N N 6 121.484 120.416 1.068 1
1 37 . 19 1 1 A 25 25 LYS H H 7 7.921 8.105 -0.184 1
1 38 . 19 1 1 A 25 25 LYS HA H 7 3.723 4.054 -0.331 1
1 47 . 19 1 1 A 25 25 LYS C C 7 178.121 178.790 -0.669 1
1 48 . 19 1 1 A 25 25 LYS CA C 7 59.475 59.304 0.171 1
1 49 . 19 1 1 A 25 25 LYS CB C 7 32.382 32.106 0.276 1
1 53 . 19 1 1 A 25 25 LYS N N 7 117.083 119.064 -1.981 1
1 54 . 19 1 1 A 26 26 HIS H H 8 7.810 8.038 -0.228 1
1 55 . 19 1 1 A 26 26 HIS HA H 8 4.327 4.283 0.044 1
1 58 . 19 1 1 A 26 26 HIS C C 8 175.774 177.263 -1.489 1
1 59 . 19 1 1 A 26 26 HIS CA C 8 58.657 58.962 -0.305 1
1 60 . 19 1 1 A 26 26 HIS CB C 8 30.271 29.905 0.366 1
1 61 . 19 1 1 A 26 26 HIS N N 8 117.117 119.623 -2.506 1
1 62 . 19 1 1 A 27 27 LEU H H 9 7.710 8.246 -0.536 1
1 63 . 19 1 1 A 27 27 LEU HA H 9 3.921 3.961 -0.040 1
1 72 . 19 1 1 A 27 27 LEU C C 9 178.585 179.529 -0.944 1
1 73 . 19 1 1 A 27 27 LEU CA C 9 58.002 58.027 -0.025 1
1 74 . 19 1 1 A 27 27 LEU CB C 9 42.288 41.694 0.594 1
1 77 . 19 1 1 A 27 27 LEU N N 9 120.717 119.693 1.024 1
1 78 . 19 1 1 A 28 28 ILE H H 10 8.559 8.251 0.308 1
1 79 . 19 1 1 A 28 28 ILE HA H 10 3.656 3.711 -0.055 1
1 89 . 19 1 1 A 28 28 ILE C C 10 178.148 178.248 -0.100 1
1 90 . 19 1 1 A 28 28 ILE CA C 10 66.845 64.933 1.912 1
1 91 . 19 1 1 A 28 28 ILE CB C 10 37.913 37.390 0.523 1
1 95 . 19 1 1 A 28 28 ILE N N 10 120.086 120.101 -0.015 1
1 96 . 19 1 1 A 29 29 GLU H H 11 7.849 8.337 -0.488 1
1 97 . 19 1 1 A 29 29 GLU HA H 11 4.013 4.002 0.011 1
1 102 . 19 1 1 A 29 29 GLU C C 11 179.376 179.101 0.275 1
1 103 . 19 1 1 A 29 29 GLU CA C 11 59.584 59.792 -0.208 1
1 104 . 19 1 1 A 29 29 GLU CB C 11 29.070 28.858 0.212 1
1 106 . 19 1 1 A 29 29 GLU N N 11 118.346 121.612 -3.266 1
1 107 . 19 1 1 A 30 30 ARG H H 12 7.839 7.645 0.194 1
1 108 . 19 1 1 A 30 30 ARG HA H 12 4.064 3.947 0.117 1
1 115 . 19 1 1 A 30 30 ARG C C 12 180.318 178.819 1.499 1
1 116 . 19 1 1 A 30 30 ARG CA C 12 59.585 59.589 -0.004 1
1 117 . 19 1 1 A 30 30 ARG CB C 12 29.234 29.791 -0.557 1
1 120 . 19 1 1 A 30 30 ARG N N 12 120.904 118.786 2.118 1
1 121 . 19 1 1 A 31 31 TYR H H 13 8.545 8.081 0.464 1
1 122 . 19 1 1 A 31 31 TYR HA H 13 4.064 4.253 -0.189 1
1 129 . 19 1 1 A 31 31 TYR C C 13 177.725 178.366 -0.641 1
1 130 . 19 1 1 A 31 31 TYR CA C 13 63.351 60.324 3.027 1
1 131 . 19 1 1 A 31 31 TYR CB C 13 38.623 38.044 0.579 1
1 134 . 19 1 1 A 31 31 TYR N N 13 120.393 119.928 0.465 1
1 135 . 19 1 1 A 32 32 TYR H H 14 8.783 8.549 0.234 1
1 136 . 19 1 1 A 32 32 TYR HA H 14 3.948 4.251 -0.303 1
1 143 . 19 1 1 A 32 32 TYR C C 14 178.599 177.385 1.214 1
1 144 . 19 1 1 A 32 32 TYR CA C 14 62.669 61.803 0.866 1
1 145 . 19 1 1 A 32 32 TYR CB C 14 38.350 38.698 -0.348 1
1 148 . 19 1 1 A 32 32 TYR N N 14 120.342 119.927 0.415 1
1 149 . 19 1 1 A 33 33 HIS H H 15 8.740 8.293 0.447 1
1 150 . 19 1 1 A 33 33 HIS HA H 15 3.906 4.257 -0.351 1
1 153 . 19 1 1 A 33 33 HIS C C 15 177.834 176.790 1.044 1
1 154 . 19 1 1 A 33 33 HIS CA C 15 60.622 60.073 0.549 1
1 155 . 19 1 1 A 33 33 HIS CB C 15 30.599 29.599 1.000 1
1 156 . 19 1 1 A 33 33 HIS N N 15 121.297 119.488 1.809 1
1 157 . 19 1 1 A 34 34 GLN H H 16 8.371 7.975 0.396 1
1 158 . 19 1 1 A 34 34 GLN HA H 16 3.709 4.120 -0.411 1
1 165 . 19 1 1 A 34 34 GLN C C 16 176.238 177.892 -1.654 1
1 166 . 19 1 1 A 34 34 GLN CA C 16 60.185 58.667 1.518 1
1 167 . 19 1 1 A 34 34 GLN CB C 16 30.653 27.966 2.687 1
1 169 . 19 1 1 A 34 34 GLN N N 16 122.576 118.261 4.315 1
1 171 . 19 1 1 A 35 35 LEU H H 17 7.916 7.584 0.332 1
1 172 . 19 1 1 A 35 35 LEU HA H 17 3.978 3.794 0.184 1
1 182 . 19 1 1 A 35 35 LEU C C 17 175.624 179.209 -3.585 1
1 183 . 19 1 1 A 35 35 LEU CA C 17 56.377 57.224 -0.847 1
1 184 . 19 1 1 A 35 35 LEU CB C 17 45.098 41.694 3.404 1
1 188 . 19 1 1 A 35 35 LEU N N 17 116.299 118.888 -2.589 1
1 189 . 19 1 1 A 36 36 THR H H 18 7.148 7.799 -0.651 1
1 190 . 19 1 1 A 36 36 THR HA H 18 4.215 4.073 0.142 1
1 195 . 19 1 1 A 36 36 THR C C 18 174.709 176.628 -1.919 1
1 196 . 19 1 1 A 36 36 THR CA C 18 61.522 65.031 -3.509 1
1 197 . 19 1 1 A 36 36 THR CB C 18 70.434 68.504 1.930 1
1 199 . 19 1 1 A 36 36 THR N N 18 105.023 110.656 -5.633 1
1 200 . 19 1 1 A 37 37 GLU H H 19 8.234 7.851 0.383 1
1 201 . 19 1 1 A 37 37 GLU HA H 19 4.187 4.268 -0.081 1
1 206 . 19 1 1 A 37 37 GLU C C 19 177.657 177.316 0.341 1
1 207 . 19 1 1 A 37 37 GLU CA C 19 56.855 56.282 0.573 1
1 208 . 19 1 1 A 37 37 GLU CB C 19 30.872 30.433 0.439 1
1 210 . 19 1 1 A 37 37 GLU N N 19 122.559 119.564 2.995 1
1 211 . 19 1 1 A 38 38 GLY H H 20 7.485 7.769 -0.284 1
1 212 . 19 1 1 A 38 38 GLY HA2 H 20 4.586 3.918 0.668 1
1 213 . 19 1 1 A 38 38 GLY HA3 H 20 4.358 3.945 0.413 1
1 214 . 19 1 1 A 38 38 GLY C C 20 172.976 174.476 -1.500 1
1 215 . 19 1 1 A 38 38 GLY CA C 20 44.177 46.031 -1.854 1
1 216 . 19 1 1 A 38 38 GLY N N 20 107.019 106.850 0.169 1
1 217 . 19 1 1 A 39 39 CYS H H 21 7.410 8.305 -0.895 1
1 218 . 19 1 1 A 39 39 CYS HA H 21 4.498 4.736 -0.238 1
1 221 . 19 1 1 A 39 39 CYS C C 21 176.865 175.486 1.379 1
1 222 . 19 1 1 A 39 39 CYS CA C 21 58.493 58.383 0.110 1
1 223 . 19 1 1 A 39 39 CYS CB C 21 31.636 29.033 2.603 1
1 224 . 19 1 1 A 39 39 CYS N N 21 118.260 121.868 -3.608 1
1 225 . 19 1 1 A 40 40 GLY H H 22 8.670 8.128 0.542 1
1 226 . 19 1 1 A 40 40 GLY HA2 H 22 4.260 3.958 0.302 1
1 227 . 19 1 1 A 40 40 GLY HA3 H 22 3.505 3.963 -0.458 1
1 228 . 19 1 1 A 40 40 GLY C C 22 173.618 174.308 -0.690 1
1 229 . 19 1 1 A 40 40 GLY CA C 22 45.188 45.495 -0.307 1
1 230 . 19 1 1 A 40 40 GLY N N 22 112.324 109.950 2.374 1
1 231 . 19 1 1 A 41 41 ASN H H 23 8.379 7.912 0.467 1
1 232 . 19 1 1 A 41 41 ASN HA H 23 4.452 4.690 -0.238 1
1 237 . 19 1 1 A 41 41 ASN C C 23 175.132 176.028 -0.896 1
1 238 . 19 1 1 A 41 41 ASN CA C 23 52.106 53.561 -1.455 1
1 239 . 19 1 1 A 41 41 ASN CB C 23 38.678 39.400 -0.722 1
1 240 . 19 1 1 A 41 41 ASN N N 23 122.184 120.380 1.804 1
1 242 . 19 1 1 A 42 42 GLU H H 24 8.769 9.096 -0.327 1
1 243 . 19 1 1 A 42 42 GLU HA H 24 4.167 4.105 0.062 1
1 248 . 19 1 1 A 42 42 GLU C C 24 175.801 177.861 -2.060 1
1 249 . 19 1 1 A 42 42 GLU CA C 24 57.947 59.478 -1.531 1
1 250 . 19 1 1 A 42 42 GLU CB C 24 29.016 29.537 -0.521 1
1 252 . 19 1 1 A 42 42 GLU N N 24 124.589 127.189 -2.600 1
1 253 . 19 1 1 A 43 43 ALA H H 25 7.839 7.176 0.663 1
1 254 . 19 1 1 A 43 43 ALA HA H 25 4.381 4.373 0.008 1
1 258 . 19 1 1 A 43 43 ALA C C 25 175.842 176.528 -0.686 1
1 259 . 19 1 1 A 43 43 ALA CA C 25 50.319 51.628 -1.309 1
1 260 . 19 1 1 A 43 43 ALA CB C 25 18.563 17.481 1.082 1
1 261 . 19 1 1 A 43 43 ALA N N 25 121.706 118.707 2.999 1
1 262 . 19 1 1 A 44 44 CYS H H 26 7.350 8.250 -0.900 1
1 263 . 19 1 1 A 44 44 CYS HA H 26 3.757 5.076 -1.319 1
1 266 . 19 1 1 A 44 44 CYS C C 26 176.019 173.284 2.735 1
1 267 . 19 1 1 A 44 44 CYS CA C 26 62.696 56.965 5.731 1
1 268 . 19 1 1 A 44 44 CYS CB C 26 29.671 30.746 -1.075 1
1 269 . 19 1 1 A 44 44 CYS N N 26 124.265 120.889 3.376 1
1 270 . 19 1 1 A 45 45 THR H H 27 7.872 8.793 -0.921 1
1 271 . 19 1 1 A 45 45 THR HA H 27 4.511 4.508 0.003 1
1 276 . 19 1 1 A 45 45 THR C C 27 174.969 173.309 1.660 1
1 277 . 19 1 1 A 45 45 THR CA C 27 61.113 60.401 0.712 1
1 278 . 19 1 1 A 45 45 THR CB C 27 69.834 67.290 2.544 1
1 280 . 19 1 1 A 45 45 THR N N 27 115.292 122.836 -7.544 1
1 281 . 19 1 1 A 46 46 ASN H H 28 9.336 7.987 1.349 1
1 282 . 19 1 1 A 46 46 ASN HA H 28 4.430 4.915 -0.485 1
1 287 . 19 1 1 A 46 46 ASN C C 28 174.273 175.080 -0.807 1
1 288 . 19 1 1 A 46 46 ASN CA C 28 53.144 52.689 0.455 1
1 289 . 19 1 1 A 46 46 ASN CB C 28 38.500 40.197 -1.697 1
1 290 . 19 1 1 A 46 46 ASN N N 28 127.779 125.466 2.313 1
1 292 . 19 1 1 A 47 47 GLU H H 29 8.499 8.899 -0.400 1
1 293 . 19 1 1 A 47 47 GLU HA H 29 4.006 4.053 -0.047 1
1 298 . 19 1 1 A 47 47 GLU C C 29 175.815 176.345 -0.530 1
1 299 . 19 1 1 A 47 47 GLU CA C 29 58.111 58.337 -0.226 1
1 300 . 19 1 1 A 47 47 GLU CB C 29 29.070 28.799 0.271 1
1 302 . 19 1 1 A 47 47 GLU N N 29 123.804 124.592 -0.788 1
1 303 . 19 1 1 A 48 48 PHE H H 30 7.423 7.492 -0.069 1
1 304 . 19 1 1 A 48 48 PHE HA H 30 4.860 4.603 0.257 1
1 311 . 19 1 1 A 48 48 PHE C C 30 171.980 173.873 -1.893 1
1 312 . 19 1 1 A 48 48 PHE CA C 30 56.336 56.128 0.208 1
1 313 . 19 1 1 A 48 48 PHE CB C 30 38.132 38.985 -0.853 1
1 316 . 19 1 1 A 48 48 PHE N N 30 117.186 118.818 -1.632 1
1 317 . 19 1 1 A 49 49 CYS H H 31 7.420 7.822 -0.402 1
1 318 . 19 1 1 A 49 49 CYS HA H 31 4.264 4.897 -0.633 1
1 321 . 19 1 1 A 49 49 CYS C C 31 174.436 173.443 0.993 1
1 322 . 19 1 1 A 49 49 CYS CA C 31 57.047 58.144 -1.097 1
1 323 . 19 1 1 A 49 49 CYS CB C 31 33.492 31.381 2.111 1
1 324 . 19 1 1 A 49 49 CYS N N 31 121.843 122.102 -0.259 1
1 325 . 19 1 1 A 50 50 ALA H H 32 7.949 8.496 -0.547 1
1 326 . 19 1 1 A 50 50 ALA HA H 32 2.992 4.426 -1.434 1
1 330 . 19 1 1 A 50 50 ALA C C 32 178.762 178.432 0.330 1
1 331 . 19 1 1 A 50 50 ALA CA C 32 53.007 52.781 0.226 1
1 332 . 19 1 1 A 50 50 ALA CB C 32 17.007 19.380 -2.373 1
1 333 . 19 1 1 A 50 50 ALA N N 32 128.103 128.257 -0.154 1
1 334 . 19 1 1 A 51 51 SER H H 33 9.507 8.995 0.512 1
1 335 . 19 1 1 A 51 51 SER HA H 33 4.299 4.137 0.162 1
1 338 . 19 1 1 A 51 51 SER C C 33 173.399 172.898 0.501 1
1 339 . 19 1 1 A 51 51 SER CA C 33 60.840 59.600 1.240 1
1 340 . 19 1 1 A 51 51 SER CB C 33 63.679 62.726 0.953 1
1 341 . 19 1 1 A 51 51 SER N N 33 119.062 115.066 3.996 1
1 342 . 19 1 1 A 52 52 CYS H H 34 7.978 7.483 0.495 1
1 343 . 19 1 1 A 52 52 CYS HA H 34 4.652 4.841 -0.189 1
1 346 . 19 1 1 A 52 52 CYS CA C 34 55.835 56.681 -0.846 1
1 347 . 19 1 1 A 52 52 CYS CB C 34 27.879 28.990 -1.111 1
1 348 . 19 1 1 A 52 52 CYS N N 34 124.589 120.153 4.436 1
1 349 . 19 1 1 A 53 53 PRO HA H 35 4.393 4.463 -0.070 1
1 356 . 19 1 1 A 53 53 PRO C C 35 177.889 177.435 0.454 1
1 357 . 19 1 1 A 53 53 PRO CA C 35 65.180 64.287 0.893 1
1 358 . 19 1 1 A 53 53 PRO CB C 35 32.850 31.887 0.963 1
1 361 . 19 1 1 A 54 54 THR H H 36 7.507 7.759 -0.252 1
1 362 . 19 1 1 A 54 54 THR HA H 36 4.314 4.265 0.049 1
1 367 . 19 1 1 A 54 54 THR C C 36 174.177 174.608 -0.431 1
1 368 . 19 1 1 A 54 54 THR CA C 36 61.195 63.306 -2.111 1
1 369 . 19 1 1 A 54 54 THR CB C 36 68.101 68.666 -0.565 1
1 371 . 19 1 1 A 54 54 THR N N 36 107.002 108.020 -1.018 1
1 372 . 19 1 1 A 55 55 PHE H H 37 7.716 7.852 -0.136 1
1 373 . 19 1 1 A 55 55 PHE HA H 37 4.204 4.960 -0.756 1
1 380 . 19 1 1 A 55 55 PHE C C 37 175.228 173.757 1.471 1
1 381 . 19 1 1 A 55 55 PHE CA C 37 58.875 56.199 2.676 1
1 382 . 19 1 1 A 55 55 PHE CB C 37 40.942 41.691 -0.749 1
1 385 . 19 1 1 A 55 55 PHE N N 37 124.794 122.657 2.137 1
1 386 . 19 1 1 A 56 56 LEU H H 38 7.490 8.662 -1.172 1
1 387 . 19 1 1 A 56 56 LEU HA H 38 4.310 4.608 -0.298 1
1 397 . 19 1 1 A 56 56 LEU C C 38 174.300 175.604 -1.304 1
1 398 . 19 1 1 A 56 56 LEU CA C 38 53.416 53.764 -0.348 1
1 399 . 19 1 1 A 56 56 LEU CB C 38 41.386 43.212 -1.826 1
1 403 . 19 1 1 A 56 56 LEU N N 38 130.713 129.291 1.422 1
1 404 . 19 1 1 A 57 57 ARG H H 39 7.930 8.255 -0.325 1
1 405 . 19 1 1 A 57 57 ARG HA H 39 3.994 3.901 0.093 1
1 412 . 19 1 1 A 57 57 ARG CA C 39 57.374 56.521 0.853 1
1 413 . 19 1 1 A 57 57 ARG CB C 39 30.517 31.261 -0.744 1
1 416 . 19 1 1 A 57 57 ARG N N 39 122.866 126.813 -3.947 1
1 417 . 19 1 1 A 58 58 MET H H 40 8.408 8.722 -0.314 1
1 418 . 19 1 1 A 58 58 MET HA H 40 4.706 5.031 -0.325 1
1 423 . 19 1 1 A 58 58 MET C C 40 175.160 174.518 0.642 1
1 424 . 19 1 1 A 58 58 MET CA C 40 53.908 53.623 0.285 1
1 425 . 19 1 1 A 58 58 MET CB C 40 36.603 35.920 0.683 1
1 427 . 19 1 1 A 58 58 MET N N 40 121.024 118.248 2.776 1
1 428 . 19 1 1 A 59 59 ASP H H 41 8.419 9.013 -0.594 1
1 429 . 19 1 1 A 59 59 ASP HA H 41 4.588 4.845 -0.257 1
1 432 . 19 1 1 A 59 59 ASP CA C 41 53.699 52.813 0.886 1
1 433 . 19 1 1 A 59 59 ASP CB C 41 41.540 41.391 0.149 1
1 434 . 19 1 1 A 59 59 ASP N N 41 120.478 120.464 0.014 1
1 435 . 19 1 1 A 60 60 ASN HA H 42 4.317 4.525 -0.208 1
1 440 . 19 1 1 A 60 60 ASN C C 42 177.739 177.863 -0.124 1
1 441 . 19 1 1 A 60 60 ASN CA C 42 56.637 56.066 0.571 1
1 442 . 19 1 1 A 60 60 ASN CB C 42 37.586 37.549 0.037 1
1 444 . 19 1 1 A 61 61 ASN H H 43 8.442 7.710 0.732 1
1 445 . 19 1 1 A 61 61 ASN HA H 43 4.450 4.569 -0.119 1
1 448 . 19 1 1 A 61 61 ASN C C 43 177.439 177.509 -0.070 1
1 449 . 19 1 1 A 61 61 ASN CA C 43 56.528 56.233 0.295 1
1 450 . 19 1 1 A 61 61 ASN CB C 43 38.023 37.935 0.088 1
1 451 . 19 1 1 A 61 61 ASN N N 43 118.960 119.017 -0.057 1
1 452 . 19 1 1 A 62 62 ALA H H 44 8.229 8.007 0.222 1
1 453 . 19 1 1 A 62 62 ALA HA H 44 4.102 4.118 -0.016 1
1 457 . 19 1 1 A 62 62 ALA C C 44 180.973 180.169 0.804 1
1 458 . 19 1 1 A 62 62 ALA CA C 44 54.672 54.733 -0.061 1
1 459 . 19 1 1 A 62 62 ALA CB C 44 18.466 18.058 0.408 1
1 460 . 19 1 1 A 62 62 ALA N N 44 123.651 123.033 0.618 1
1 461 . 19 1 1 A 63 63 ALA H H 45 8.779 8.012 0.767 1
1 462 . 19 1 1 A 63 63 ALA HA H 45 4.238 4.228 0.010 1
1 466 . 19 1 1 A 63 63 ALA C C 45 178.680 179.561 -0.881 1
1 467 . 19 1 1 A 63 63 ALA CA C 45 54.945 55.001 -0.056 1
1 468 . 19 1 1 A 63 63 ALA CB C 45 18.685 18.268 0.417 1
1 469 . 19 1 1 A 63 63 ALA N N 45 121.928 120.279 1.649 1
1 470 . 19 1 1 A 64 64 ALA H H 46 8.024 7.931 0.093 1
1 471 . 19 1 1 A 64 64 ALA HA H 46 4.109 4.295 -0.186 1
1 475 . 19 1 1 A 64 64 ALA C C 46 179.731 179.821 -0.090 1
1 476 . 19 1 1 A 64 64 ALA CA C 46 55.873 55.202 0.671 1
1 477 . 19 1 1 A 64 64 ALA CB C 46 17.853 18.434 -0.581 1
1 478 . 19 1 1 A 64 64 ALA N N 46 121.126 120.295 0.831 1
1 479 . 19 1 1 A 65 65 ILE H H 47 7.220 7.959 -0.739 1
1 480 . 19 1 1 A 65 65 ILE HA H 47 3.740 3.599 0.141 1
1 490 . 19 1 1 A 65 65 ILE C C 47 179.049 178.010 1.039 1
1 491 . 19 1 1 A 65 65 ILE CA C 47 64.061 65.653 -1.592 1
1 492 . 19 1 1 A 65 65 ILE CB C 47 38.528 37.784 0.744 1
1 496 . 19 1 1 A 65 65 ILE N N 47 117.953 118.290 -0.337 1
1 497 . 19 1 1 A 66 66 LYS H H 48 8.363 8.100 0.263 1
1 498 . 19 1 1 A 66 66 LYS HA H 48 4.062 3.887 0.175 1
1 507 . 19 1 1 A 66 66 LYS C C 48 177.739 178.575 -0.836 1
1 508 . 19 1 1 A 66 66 LYS CA C 48 57.074 58.961 -1.887 1
1 509 . 19 1 1 A 66 66 LYS CB C 48 31.472 32.317 -0.845 1
1 513 . 19 1 1 A 66 66 LYS N N 48 121.894 121.027 0.867 1
1 514 . 19 1 1 A 67 67 ALA H H 49 8.730 7.987 0.743 1
1 515 . 19 1 1 A 67 67 ALA HA H 49 3.682 4.079 -0.397 1
1 519 . 19 1 1 A 67 67 ALA C C 49 178.339 180.596 -2.257 1
1 520 . 19 1 1 A 67 67 ALA CA C 49 56.037 55.014 1.023 1
1 521 . 19 1 1 A 67 67 ALA CB C 49 18.126 18.210 -0.084 1
1 522 . 19 1 1 A 67 67 ALA N N 49 121.723 121.771 -0.048 1
1 523 . 19 1 1 A 68 68 LEU H H 50 6.888 7.921 -1.033 1
1 524 . 19 1 1 A 68 68 LEU HA H 50 4.020 3.999 0.021 1
1 534 . 19 1 1 A 68 68 LEU C C 50 178.776 179.467 -0.691 1
1 535 . 19 1 1 A 68 68 LEU CA C 50 57.892 57.626 0.266 1
1 536 . 19 1 1 A 68 68 LEU CB C 50 41.832 41.149 0.683 1
1 540 . 19 1 1 A 68 68 LEU N N 50 115.156 118.844 -3.688 1
1 541 . 19 1 1 A 69 69 GLU H H 51 7.216 7.991 -0.775 1
1 542 . 19 1 1 A 69 69 GLU HA H 51 3.836 3.993 -0.157 1
1 547 . 19 1 1 A 69 69 GLU C C 51 178.721 179.459 -0.738 1
1 548 . 19 1 1 A 69 69 GLU CA C 51 59.257 59.102 0.155 1
1 549 . 19 1 1 A 69 69 GLU CB C 51 29.343 29.948 -0.605 1
1 551 . 19 1 1 A 69 69 GLU N N 51 119.727 120.264 -0.537 1
1 552 . 19 1 1 A 70 70 LEU H H 52 8.326 7.903 0.423 1
1 553 . 19 1 1 A 70 70 LEU HA H 52 3.501 3.841 -0.340 1
1 563 . 19 1 1 A 70 70 LEU C C 52 178.421 178.416 0.005 1
1 564 . 19 1 1 A 70 70 LEU CA C 52 56.814 56.932 -0.118 1
1 565 . 19 1 1 A 70 70 LEU CB C 52 39.497 40.875 -1.378 1
1 569 . 19 1 1 A 70 70 LEU N N 52 117.442 119.522 -2.080 1
1 570 . 19 1 1 A 71 71 TYR H H 53 7.440 7.909 -0.469 1
1 571 . 19 1 1 A 71 71 TYR HA H 53 4.010 3.865 0.145 1
1 578 . 19 1 1 A 71 71 TYR C C 53 177.602 177.949 -0.347 1
1 579 . 19 1 1 A 71 71 TYR CA C 53 60.751 61.434 -0.683 1
1 580 . 19 1 1 A 71 71 TYR CB C 53 38.221 38.724 -0.503 1
1 583 . 19 1 1 A 71 71 TYR N N 53 118.670 120.445 -1.775 1
1 584 . 19 1 1 A 72 72 LYS H H 54 7.720 7.980 -0.260 1
1 585 . 19 1 1 A 72 72 LYS HA H 54 3.543 4.081 -0.538 1
1 594 . 19 1 1 A 72 72 LYS C C 54 178.216 178.144 0.072 1
1 595 . 19 1 1 A 72 72 LYS CA C 54 59.475 59.143 0.332 1
1 596 . 19 1 1 A 72 72 LYS CB C 54 32.400 32.071 0.329 1
1 600 . 19 1 1 A 72 72 LYS N N 54 120.512 118.218 2.294 1
1 601 . 19 1 1 A 73 73 ILE H H 55 7.265 7.427 -0.162 1
1 602 . 19 1 1 A 73 73 ILE HA H 55 4.327 4.093 0.234 1
1 610 . 19 1 1 A 73 73 ILE CA C 55 60.625 62.215 -1.590 1
1 611 . 19 1 1 A 73 73 ILE CB C 55 38.244 38.949 -0.705 1
1 614 . 19 1 1 A 73 73 ILE N N 55 109.032 115.720 -6.688 1
1 615 . 19 1 1 A 74 74 ASN HA H 56 4.225 4.410 -0.185 1
1 620 . 19 1 1 A 74 74 ASN C C 56 174.532 174.196 0.336 1
1 621 . 19 1 1 A 74 74 ASN CA C 56 53.853 53.914 -0.061 1
1 622 . 19 1 1 A 74 74 ASN CB C 56 37.027 36.908 0.119 1
1 624 . 19 1 1 A 75 75 ALA H H 57 7.653 7.721 -0.068 1
1 625 . 19 1 1 A 75 75 ALA HA H 57 4.126 4.465 -0.339 1
1 629 . 19 1 1 A 75 75 ALA C C 57 177.848 177.239 0.609 1
1 630 . 19 1 1 A 75 75 ALA CA C 57 51.969 51.678 0.291 1
1 631 . 19 1 1 A 75 75 ALA CB C 57 20.500 20.381 0.119 1
1 632 . 19 1 1 A 75 75 ALA N N 57 119.216 120.025 -0.809 1
1 633 . 19 1 1 A 76 76 LYS H H 58 8.612 8.686 -0.074 1
1 634 . 19 1 1 A 76 76 LYS HA H 58 3.999 4.450 -0.451 1
1 643 . 19 1 1 A 76 76 LYS C C 58 176.142 175.625 0.517 1
1 644 . 19 1 1 A 76 76 LYS CA C 58 58.220 57.103 1.117 1
1 645 . 19 1 1 A 76 76 LYS CB C 58 32.673 33.069 -0.396 1
1 649 . 19 1 1 A 76 76 LYS N N 58 122.696 118.857 3.839 1
1 650 . 19 1 1 A 77 77 LEU H H 59 8.427 8.913 -0.486 1
1 651 . 19 1 1 A 77 77 LEU HA H 59 4.954 5.512 -0.558 1
1 661 . 19 1 1 A 77 77 LEU C C 59 177.712 174.773 2.939 1
1 662 . 19 1 1 A 77 77 LEU CA C 59 52.843 53.511 -0.668 1
1 663 . 19 1 1 A 77 77 LEU CB C 59 43.611 46.081 -2.470 1
1 667 . 19 1 1 A 77 77 LEU N N 59 129.775 126.229 3.546 1
1 668 . 19 1 1 A 78 78 CYS H H 60 8.573 8.802 -0.229 1
1 669 . 19 1 1 A 78 78 CYS HA H 60 3.938 4.796 -0.858 1
1 672 . 19 1 1 A 78 78 CYS C C 60 176.265 173.573 2.692 1
1 673 . 19 1 1 A 78 78 CYS CA C 60 61.768 58.175 3.593 1
1 674 . 19 1 1 A 78 78 CYS CB C 60 31.103 26.339 4.764 1
1 675 . 19 1 1 A 78 78 CYS N N 60 126.244 126.130 0.114 1
1 676 . 19 1 1 A 79 79 ASP H H 61 8.570 8.240 0.330 1
1 677 . 19 1 1 A 79 79 ASP HA H 61 4.765 5.027 -0.262 1
1 680 . 19 1 1 A 79 79 ASP CA C 61 52.464 52.395 0.069 1
1 681 . 19 1 1 A 79 79 ASP CB C 61 40.598 41.217 -0.619 1
1 682 . 19 1 1 A 79 79 ASP N N 61 123.037 122.701 0.336 1
1 683 . 19 1 1 A 80 80 PRO HA H 62 4.351 4.639 -0.288 1
1 690 . 19 1 1 A 80 80 PRO C C 62 175.296 175.743 -0.447 1
1 691 . 19 1 1 A 80 80 PRO CA C 62 63.419 63.066 0.353 1
1 692 . 19 1 1 A 80 80 PRO CB C 62 31.963 31.552 0.411 1
1 695 . 19 1 1 A 81 81 HIS H H 63 8.283 8.571 -0.288 1
1 696 . 19 1 1 A 81 81 HIS HA H 63 4.737 4.943 -0.206 1
1 697 . 19 1 1 A 81 81 HIS CA C 63 54.272 54.453 -0.181 1
1 698 . 19 1 1 A 81 81 HIS N N 63 122.934 122.573 0.361 1
1 1 . 20 1 1 A 20 20 LYS HA H 2 4.205 4.254 -0.049 1
1 8 . 20 1 1 A 20 20 LYS C C 2 176.538 177.331 -0.793 1
1 9 . 20 1 1 A 20 20 LYS CA C 2 56.364 56.849 -0.485 1
1 10 . 20 1 1 A 20 20 LYS CB C 2 30.708 32.522 -1.814 1
1 13 . 20 1 1 A 21 21 ARG H H 3 8.541 8.871 -0.330 1
1 14 . 20 1 1 A 21 21 ARG N N 3 120.785 123.948 -3.163 1
1 15 . 20 1 1 A 22 22 ALA HA H 4 4.082 3.976 0.106 1
1 19 . 20 1 1 A 22 22 ALA CA C 4 54.047 54.786 -0.739 1
1 20 . 20 1 1 A 22 22 ALA CB C 4 18.824 18.249 0.575 1
1 21 . 20 1 1 A 23 23 ALA HA H 5 4.177 4.141 0.036 1
1 25 . 20 1 1 A 23 23 ALA C C 5 178.940 179.175 -0.235 1
1 26 . 20 1 1 A 23 23 ALA CA C 5 53.798 55.199 -1.401 1
1 27 . 20 1 1 A 23 23 ALA CB C 5 18.753 18.724 0.029 1
1 28 . 20 1 1 A 24 24 ALA H H 6 7.783 8.039 -0.256 1
1 29 . 20 1 1 A 24 24 ALA HA H 6 4.007 4.207 -0.200 1
1 33 . 20 1 1 A 24 24 ALA C C 6 178.203 179.372 -1.169 1
1 34 . 20 1 1 A 24 24 ALA CA C 6 54.590 55.395 -0.805 1
1 35 . 20 1 1 A 24 24 ALA CB C 6 18.494 18.255 0.239 1
1 36 . 20 1 1 A 24 24 ALA N N 6 121.484 120.357 1.127 1
1 37 . 20 1 1 A 25 25 LYS H H 7 7.921 7.842 0.079 1
1 38 . 20 1 1 A 25 25 LYS HA H 7 3.723 3.991 -0.268 1
1 47 . 20 1 1 A 25 25 LYS C C 7 178.121 178.917 -0.796 1
1 48 . 20 1 1 A 25 25 LYS CA C 7 59.475 59.631 -0.156 1
1 49 . 20 1 1 A 25 25 LYS CB C 7 32.382 31.947 0.435 1
1 53 . 20 1 1 A 25 25 LYS N N 7 117.083 118.706 -1.623 1
1 54 . 20 1 1 A 26 26 HIS H H 8 7.810 7.543 0.267 1
1 55 . 20 1 1 A 26 26 HIS HA H 8 4.327 4.367 -0.040 1
1 58 . 20 1 1 A 26 26 HIS C C 8 175.774 177.841 -2.067 1
1 59 . 20 1 1 A 26 26 HIS CA C 8 58.657 60.427 -1.770 1
1 60 . 20 1 1 A 26 26 HIS CB C 8 30.271 30.678 -0.407 1
1 61 . 20 1 1 A 26 26 HIS N N 8 117.117 117.520 -0.403 1
1 62 . 20 1 1 A 27 27 LEU H H 9 7.710 8.213 -0.503 1
1 63 . 20 1 1 A 27 27 LEU HA H 9 3.921 3.862 0.059 1
1 72 . 20 1 1 A 27 27 LEU C C 9 178.585 179.267 -0.682 1
1 73 . 20 1 1 A 27 27 LEU CA C 9 58.002 58.391 -0.389 1
1 74 . 20 1 1 A 27 27 LEU CB C 9 42.288 42.217 0.071 1
1 77 . 20 1 1 A 27 27 LEU N N 9 120.717 120.507 0.210 1
1 78 . 20 1 1 A 28 28 ILE H H 10 8.559 8.045 0.514 1
1 79 . 20 1 1 A 28 28 ILE HA H 10 3.656 3.681 -0.025 1
1 89 . 20 1 1 A 28 28 ILE C C 10 178.148 178.286 -0.138 1
1 90 . 20 1 1 A 28 28 ILE CA C 10 66.845 65.359 1.486 1
1 91 . 20 1 1 A 28 28 ILE CB C 10 37.913 37.459 0.454 1
1 95 . 20 1 1 A 28 28 ILE N N 10 120.086 120.010 0.076 1
1 96 . 20 1 1 A 29 29 GLU H H 11 7.849 8.060 -0.211 1
1 97 . 20 1 1 A 29 29 GLU HA H 11 4.013 4.133 -0.120 1
1 102 . 20 1 1 A 29 29 GLU C C 11 179.376 179.451 -0.075 1
1 103 . 20 1 1 A 29 29 GLU CA C 11 59.584 59.477 0.107 1
1 104 . 20 1 1 A 29 29 GLU CB C 11 29.070 29.325 -0.255 1
1 106 . 20 1 1 A 29 29 GLU N N 11 118.346 120.950 -2.604 1
1 107 . 20 1 1 A 30 30 ARG H H 12 7.839 7.798 0.041 1
1 108 . 20 1 1 A 30 30 ARG HA H 12 4.064 4.095 -0.031 1
1 115 . 20 1 1 A 30 30 ARG C C 12 180.318 178.935 1.383 1
1 116 . 20 1 1 A 30 30 ARG CA C 12 59.585 58.778 0.807 1
1 117 . 20 1 1 A 30 30 ARG CB C 12 29.234 30.191 -0.957 1
1 120 . 20 1 1 A 30 30 ARG N N 12 120.904 119.323 1.581 1
1 121 . 20 1 1 A 31 31 TYR H H 13 8.545 7.995 0.550 1
1 122 . 20 1 1 A 31 31 TYR HA H 13 4.064 4.361 -0.297 1
1 129 . 20 1 1 A 31 31 TYR C C 13 177.725 178.752 -1.027 1
1 130 . 20 1 1 A 31 31 TYR CA C 13 63.351 60.272 3.079 1
1 131 . 20 1 1 A 31 31 TYR CB C 13 38.623 38.089 0.534 1
1 134 . 20 1 1 A 31 31 TYR N N 13 120.393 119.779 0.614 1
1 135 . 20 1 1 A 32 32 TYR H H 14 8.783 8.670 0.113 1
1 136 . 20 1 1 A 32 32 TYR HA H 14 3.948 4.274 -0.326 1
1 143 . 20 1 1 A 32 32 TYR C C 14 178.599 177.471 1.128 1
1 144 . 20 1 1 A 32 32 TYR CA C 14 62.669 61.801 0.868 1
1 145 . 20 1 1 A 32 32 TYR CB C 14 38.350 38.458 -0.108 1
1 148 . 20 1 1 A 32 32 TYR N N 14 120.342 119.376 0.966 1
1 149 . 20 1 1 A 33 33 HIS H H 15 8.740 8.369 0.371 1
1 150 . 20 1 1 A 33 33 HIS HA H 15 3.906 4.268 -0.362 1
1 153 . 20 1 1 A 33 33 HIS C C 15 177.834 176.976 0.858 1
1 154 . 20 1 1 A 33 33 HIS CA C 15 60.622 60.050 0.572 1
1 155 . 20 1 1 A 33 33 HIS CB C 15 30.599 29.351 1.248 1
1 156 . 20 1 1 A 33 33 HIS N N 15 121.297 119.108 2.189 1
1 157 . 20 1 1 A 34 34 GLN H H 16 8.371 8.032 0.339 1
1 158 . 20 1 1 A 34 34 GLN HA H 16 3.709 4.032 -0.323 1
1 165 . 20 1 1 A 34 34 GLN C C 16 176.238 177.564 -1.326 1
1 166 . 20 1 1 A 34 34 GLN CA C 16 60.185 58.543 1.642 1
1 167 . 20 1 1 A 34 34 GLN CB C 16 30.653 28.506 2.147 1
1 169 . 20 1 1 A 34 34 GLN N N 16 122.576 118.264 4.312 1
1 171 . 20 1 1 A 35 35 LEU H H 17 7.916 7.696 0.220 1
1 172 . 20 1 1 A 35 35 LEU HA H 17 3.978 3.922 0.056 1
1 182 . 20 1 1 A 35 35 LEU C C 17 175.624 179.009 -3.385 1
1 183 . 20 1 1 A 35 35 LEU CA C 17 56.377 57.120 -0.743 1
1 184 . 20 1 1 A 35 35 LEU CB C 17 45.098 41.768 3.330 1
1 188 . 20 1 1 A 35 35 LEU N N 17 116.299 118.211 -1.912 1
1 189 . 20 1 1 A 36 36 THR H H 18 7.148 7.592 -0.444 1
1 190 . 20 1 1 A 36 36 THR HA H 18 4.215 4.034 0.181 1
1 195 . 20 1 1 A 36 36 THR C C 18 174.709 176.961 -2.252 1
1 196 . 20 1 1 A 36 36 THR CA C 18 61.522 64.741 -3.219 1
1 197 . 20 1 1 A 36 36 THR CB C 18 70.434 68.651 1.783 1
1 199 . 20 1 1 A 36 36 THR N N 18 105.023 110.822 -5.799 1
1 200 . 20 1 1 A 37 37 GLU H H 19 8.234 7.609 0.625 1
1 201 . 20 1 1 A 37 37 GLU HA H 19 4.187 4.185 0.002 1
1 206 . 20 1 1 A 37 37 GLU C C 19 177.657 177.346 0.311 1
1 207 . 20 1 1 A 37 37 GLU CA C 19 56.855 56.435 0.420 1
1 208 . 20 1 1 A 37 37 GLU CB C 19 30.872 30.341 0.531 1
1 210 . 20 1 1 A 37 37 GLU N N 19 122.559 120.352 2.207 1
1 211 . 20 1 1 A 38 38 GLY H H 20 7.485 7.885 -0.400 1
1 212 . 20 1 1 A 38 38 GLY HA2 H 20 4.586 3.751 0.835 1
1 213 . 20 1 1 A 38 38 GLY HA3 H 20 4.358 3.778 0.580 1
1 214 . 20 1 1 A 38 38 GLY C C 20 172.976 174.385 -1.409 1
1 215 . 20 1 1 A 38 38 GLY CA C 20 44.177 46.575 -2.398 1
1 216 . 20 1 1 A 38 38 GLY N N 20 107.019 107.186 -0.167 1
1 217 . 20 1 1 A 39 39 CYS H H 21 7.410 8.217 -0.807 1
1 218 . 20 1 1 A 39 39 CYS HA H 21 4.498 4.627 -0.129 1
1 221 . 20 1 1 A 39 39 CYS C C 21 176.865 175.698 1.167 1
1 222 . 20 1 1 A 39 39 CYS CA C 21 58.493 58.382 0.111 1
1 223 . 20 1 1 A 39 39 CYS CB C 21 31.636 29.164 2.472 1
1 224 . 20 1 1 A 39 39 CYS N N 21 118.260 123.529 -5.269 1
1 225 . 20 1 1 A 40 40 GLY H H 22 8.670 8.189 0.481 1
1 226 . 20 1 1 A 40 40 GLY HA2 H 22 4.260 3.931 0.329 1
1 227 . 20 1 1 A 40 40 GLY HA3 H 22 3.505 3.948 -0.443 1
1 228 . 20 1 1 A 40 40 GLY C C 22 173.618 174.208 -0.590 1
1 229 . 20 1 1 A 40 40 GLY CA C 22 45.188 45.468 -0.280 1
1 230 . 20 1 1 A 40 40 GLY N N 22 112.324 110.863 1.461 1
1 231 . 20 1 1 A 41 41 ASN H H 23 8.379 7.741 0.638 1
1 232 . 20 1 1 A 41 41 ASN HA H 23 4.452 4.689 -0.237 1
1 237 . 20 1 1 A 41 41 ASN C C 23 175.132 176.655 -1.523 1
1 238 . 20 1 1 A 41 41 ASN CA C 23 52.106 53.574 -1.468 1
1 239 . 20 1 1 A 41 41 ASN CB C 23 38.678 39.902 -1.224 1
1 240 . 20 1 1 A 41 41 ASN N N 23 122.184 120.287 1.897 1
1 242 . 20 1 1 A 42 42 GLU H H 24 8.769 8.859 -0.090 1
1 243 . 20 1 1 A 42 42 GLU HA H 24 4.167 4.268 -0.101 1
1 248 . 20 1 1 A 42 42 GLU C C 24 175.801 177.192 -1.391 1
1 249 . 20 1 1 A 42 42 GLU CA C 24 57.947 59.034 -1.087 1
1 250 . 20 1 1 A 42 42 GLU CB C 24 29.016 29.366 -0.350 1
1 252 . 20 1 1 A 42 42 GLU N N 24 124.589 124.362 0.227 1
1 253 . 20 1 1 A 43 43 ALA H H 25 7.839 7.402 0.437 1
1 254 . 20 1 1 A 43 43 ALA HA H 25 4.381 4.374 0.007 1
1 258 . 20 1 1 A 43 43 ALA C C 25 175.842 176.350 -0.508 1
1 259 . 20 1 1 A 43 43 ALA CA C 25 50.319 51.769 -1.450 1
1 260 . 20 1 1 A 43 43 ALA CB C 25 18.563 17.397 1.166 1
1 261 . 20 1 1 A 43 43 ALA N N 25 121.706 120.763 0.943 1
1 262 . 20 1 1 A 44 44 CYS H H 26 7.350 7.908 -0.558 1
1 263 . 20 1 1 A 44 44 CYS HA H 26 3.757 5.114 -1.357 1
1 266 . 20 1 1 A 44 44 CYS C C 26 176.019 174.203 1.816 1
1 267 . 20 1 1 A 44 44 CYS CA C 26 62.696 56.914 5.782 1
1 268 . 20 1 1 A 44 44 CYS CB C 26 29.671 30.677 -1.006 1
1 269 . 20 1 1 A 44 44 CYS N N 26 124.265 120.219 4.046 1
1 270 . 20 1 1 A 45 45 THR H H 27 7.872 8.720 -0.848 1
1 271 . 20 1 1 A 45 45 THR HA H 27 4.511 4.506 0.005 1
1 276 . 20 1 1 A 45 45 THR C C 27 174.969 173.925 1.044 1
1 277 . 20 1 1 A 45 45 THR CA C 27 61.113 61.166 -0.053 1
1 278 . 20 1 1 A 45 45 THR CB C 27 69.834 68.298 1.536 1
1 280 . 20 1 1 A 45 45 THR N N 27 115.292 121.628 -6.336 1
1 281 . 20 1 1 A 46 46 ASN H H 28 9.336 7.656 1.680 1
1 282 . 20 1 1 A 46 46 ASN HA H 28 4.430 5.101 -0.671 1
1 287 . 20 1 1 A 46 46 ASN C C 28 174.273 175.232 -0.959 1
1 288 . 20 1 1 A 46 46 ASN CA C 28 53.144 51.838 1.306 1
1 289 . 20 1 1 A 46 46 ASN CB C 28 38.500 40.547 -2.047 1
1 290 . 20 1 1 A 46 46 ASN N N 28 127.779 122.581 5.198 1
1 292 . 20 1 1 A 47 47 GLU H H 29 8.499 8.997 -0.498 1
1 293 . 20 1 1 A 47 47 GLU HA H 29 4.006 4.270 -0.264 1
1 298 . 20 1 1 A 47 47 GLU C C 29 175.815 176.961 -1.146 1
1 299 . 20 1 1 A 47 47 GLU CA C 29 58.111 58.123 -0.012 1
1 300 . 20 1 1 A 47 47 GLU CB C 29 29.070 28.961 0.109 1
1 302 . 20 1 1 A 47 47 GLU N N 29 123.804 124.777 -0.973 1
1 303 . 20 1 1 A 48 48 PHE H H 30 7.423 7.669 -0.246 1
1 304 . 20 1 1 A 48 48 PHE HA H 30 4.860 4.863 -0.003 1
1 311 . 20 1 1 A 48 48 PHE C C 30 171.980 174.878 -2.898 1
1 312 . 20 1 1 A 48 48 PHE CA C 30 56.336 57.319 -0.983 1
1 313 . 20 1 1 A 48 48 PHE CB C 30 38.132 38.076 0.056 1
1 316 . 20 1 1 A 48 48 PHE N N 30 117.186 118.169 -0.983 1
1 317 . 20 1 1 A 49 49 CYS H H 31 7.420 7.776 -0.356 1
1 318 . 20 1 1 A 49 49 CYS HA H 31 4.264 5.082 -0.818 1
1 321 . 20 1 1 A 49 49 CYS C C 31 174.436 173.117 1.319 1
1 322 . 20 1 1 A 49 49 CYS CA C 31 57.047 57.245 -0.198 1
1 323 . 20 1 1 A 49 49 CYS CB C 31 33.492 30.985 2.507 1
1 324 . 20 1 1 A 49 49 CYS N N 31 121.843 118.812 3.031 1
1 325 . 20 1 1 A 50 50 ALA H H 32 7.949 7.963 -0.014 1
1 326 . 20 1 1 A 50 50 ALA HA H 32 2.992 3.680 -0.688 1
1 330 . 20 1 1 A 50 50 ALA C C 32 178.762 177.992 0.770 1
1 331 . 20 1 1 A 50 50 ALA CA C 32 53.007 51.980 1.027 1
1 332 . 20 1 1 A 50 50 ALA CB C 32 17.007 19.437 -2.430 1
1 333 . 20 1 1 A 50 50 ALA N N 32 128.103 127.999 0.104 1
1 334 . 20 1 1 A 51 51 SER H H 33 9.507 8.692 0.815 1
1 335 . 20 1 1 A 51 51 SER HA H 33 4.299 4.073 0.226 1
1 338 . 20 1 1 A 51 51 SER C C 33 173.399 173.439 -0.040 1
1 339 . 20 1 1 A 51 51 SER CA C 33 60.840 60.338 0.502 1
1 340 . 20 1 1 A 51 51 SER CB C 33 63.679 61.600 2.079 1
1 341 . 20 1 1 A 51 51 SER N N 33 119.062 111.631 7.431 1
1 342 . 20 1 1 A 52 52 CYS H H 34 7.978 7.770 0.208 1
1 343 . 20 1 1 A 52 52 CYS HA H 34 4.652 4.872 -0.220 1
1 346 . 20 1 1 A 52 52 CYS CA C 34 55.835 56.960 -1.125 1
1 347 . 20 1 1 A 52 52 CYS CB C 34 27.879 28.898 -1.019 1
1 348 . 20 1 1 A 52 52 CYS N N 34 124.589 119.384 5.205 1
1 349 . 20 1 1 A 53 53 PRO HA H 35 4.393 4.521 -0.128 1
1 356 . 20 1 1 A 53 53 PRO C C 35 177.889 177.118 0.771 1
1 357 . 20 1 1 A 53 53 PRO CA C 35 65.180 64.136 1.044 1
1 358 . 20 1 1 A 53 53 PRO CB C 35 32.850 31.834 1.016 1
1 361 . 20 1 1 A 54 54 THR H H 36 7.507 7.698 -0.191 1
1 362 . 20 1 1 A 54 54 THR HA H 36 4.314 4.374 -0.060 1
1 367 . 20 1 1 A 54 54 THR C C 36 174.177 173.884 0.293 1
1 368 . 20 1 1 A 54 54 THR CA C 36 61.195 62.045 -0.850 1
1 369 . 20 1 1 A 54 54 THR CB C 36 68.101 69.294 -1.193 1
1 371 . 20 1 1 A 54 54 THR N N 36 107.002 107.764 -0.762 1
1 372 . 20 1 1 A 55 55 PHE H H 37 7.716 7.610 0.106 1
1 373 . 20 1 1 A 55 55 PHE HA H 37 4.204 5.010 -0.806 1
1 380 . 20 1 1 A 55 55 PHE C C 37 175.228 173.735 1.493 1
1 381 . 20 1 1 A 55 55 PHE CA C 37 58.875 56.064 2.811 1
1 382 . 20 1 1 A 55 55 PHE CB C 37 40.942 42.008 -1.066 1
1 385 . 20 1 1 A 55 55 PHE N N 37 124.794 122.869 1.925 1
1 386 . 20 1 1 A 56 56 LEU H H 38 7.490 8.343 -0.853 1
1 387 . 20 1 1 A 56 56 LEU HA H 38 4.310 4.629 -0.319 1
1 397 . 20 1 1 A 56 56 LEU C C 38 174.300 176.239 -1.939 1
1 398 . 20 1 1 A 56 56 LEU CA C 38 53.416 53.922 -0.506 1
1 399 . 20 1 1 A 56 56 LEU CB C 38 41.386 43.601 -2.215 1
1 403 . 20 1 1 A 56 56 LEU N N 38 130.713 129.126 1.587 1
1 404 . 20 1 1 A 57 57 ARG H H 39 7.930 8.336 -0.406 1
1 405 . 20 1 1 A 57 57 ARG HA H 39 3.994 4.312 -0.318 1
1 412 . 20 1 1 A 57 57 ARG CA C 39 57.374 56.885 0.489 1
1 413 . 20 1 1 A 57 57 ARG CB C 39 30.517 31.091 -0.574 1
1 416 . 20 1 1 A 57 57 ARG N N 39 122.866 125.910 -3.044 1
1 417 . 20 1 1 A 58 58 MET H H 40 8.408 8.792 -0.384 1
1 418 . 20 1 1 A 58 58 MET HA H 40 4.706 5.153 -0.447 1
1 423 . 20 1 1 A 58 58 MET C C 40 175.160 173.775 1.385 1
1 424 . 20 1 1 A 58 58 MET CA C 40 53.908 53.401 0.507 1
1 425 . 20 1 1 A 58 58 MET CB C 40 36.603 36.497 0.106 1
1 427 . 20 1 1 A 58 58 MET N N 40 121.024 118.739 2.285 1
1 428 . 20 1 1 A 59 59 ASP H H 41 8.419 8.881 -0.462 1
1 429 . 20 1 1 A 59 59 ASP HA H 41 4.588 4.903 -0.315 1
1 432 . 20 1 1 A 59 59 ASP CA C 41 53.699 53.840 -0.141 1
1 433 . 20 1 1 A 59 59 ASP CB C 41 41.540 42.457 -0.917 1
1 434 . 20 1 1 A 59 59 ASP N N 41 120.478 120.981 -0.503 1
1 435 . 20 1 1 A 60 60 ASN HA H 42 4.317 4.468 -0.151 1
1 440 . 20 1 1 A 60 60 ASN C C 42 177.739 177.713 0.026 1
1 441 . 20 1 1 A 60 60 ASN CA C 42 56.637 56.398 0.239 1
1 442 . 20 1 1 A 60 60 ASN CB C 42 37.586 38.271 -0.685 1
1 444 . 20 1 1 A 61 61 ASN H H 43 8.442 7.606 0.836 1
1 445 . 20 1 1 A 61 61 ASN HA H 43 4.450 4.542 -0.092 1
1 448 . 20 1 1 A 61 61 ASN C C 43 177.439 177.608 -0.169 1
1 449 . 20 1 1 A 61 61 ASN CA C 43 56.528 56.512 0.016 1
1 450 . 20 1 1 A 61 61 ASN CB C 43 38.023 38.135 -0.112 1
1 451 . 20 1 1 A 61 61 ASN N N 43 118.960 117.755 1.205 1
1 452 . 20 1 1 A 62 62 ALA H H 44 8.229 8.171 0.058 1
1 453 . 20 1 1 A 62 62 ALA HA H 44 4.102 4.099 0.003 1
1 457 . 20 1 1 A 62 62 ALA C C 44 180.973 180.144 0.829 1
1 458 . 20 1 1 A 62 62 ALA CA C 44 54.672 54.798 -0.126 1
1 459 . 20 1 1 A 62 62 ALA CB C 44 18.466 18.292 0.174 1
1 460 . 20 1 1 A 62 62 ALA N N 44 123.651 122.947 0.704 1
1 461 . 20 1 1 A 63 63 ALA H H 45 8.779 8.135 0.644 1
1 462 . 20 1 1 A 63 63 ALA HA H 45 4.238 4.320 -0.082 1
1 466 . 20 1 1 A 63 63 ALA C C 45 178.680 179.463 -0.783 1
1 467 . 20 1 1 A 63 63 ALA CA C 45 54.945 54.943 0.002 1
1 468 . 20 1 1 A 63 63 ALA CB C 45 18.685 18.404 0.281 1
1 469 . 20 1 1 A 63 63 ALA N N 45 121.928 120.279 1.649 1
1 470 . 20 1 1 A 64 64 ALA H H 46 8.024 8.050 -0.026 1
1 471 . 20 1 1 A 64 64 ALA HA H 46 4.109 4.299 -0.190 1
1 475 . 20 1 1 A 64 64 ALA C C 46 179.731 179.616 0.115 1
1 476 . 20 1 1 A 64 64 ALA CA C 46 55.873 55.252 0.621 1
1 477 . 20 1 1 A 64 64 ALA CB C 46 17.853 18.431 -0.578 1
1 478 . 20 1 1 A 64 64 ALA N N 46 121.126 120.868 0.258 1
1 479 . 20 1 1 A 65 65 ILE H H 47 7.220 8.018 -0.798 1
1 480 . 20 1 1 A 65 65 ILE HA H 47 3.740 3.631 0.109 1
1 490 . 20 1 1 A 65 65 ILE C C 47 179.049 178.388 0.661 1
1 491 . 20 1 1 A 65 65 ILE CA C 47 64.061 65.573 -1.512 1
1 492 . 20 1 1 A 65 65 ILE CB C 47 38.528 38.039 0.489 1
1 496 . 20 1 1 A 65 65 ILE N N 47 117.953 118.385 -0.432 1
1 497 . 20 1 1 A 66 66 LYS H H 48 8.363 8.043 0.320 1
1 498 . 20 1 1 A 66 66 LYS HA H 48 4.062 4.038 0.024 1
1 507 . 20 1 1 A 66 66 LYS C C 48 177.739 178.916 -1.177 1
1 508 . 20 1 1 A 66 66 LYS CA C 48 57.074 58.635 -1.561 1
1 509 . 20 1 1 A 66 66 LYS CB C 48 31.472 31.952 -0.480 1
1 513 . 20 1 1 A 66 66 LYS N N 48 121.894 120.757 1.137 1
1 514 . 20 1 1 A 67 67 ALA H H 49 8.730 8.210 0.520 1
1 515 . 20 1 1 A 67 67 ALA HA H 49 3.682 4.164 -0.482 1
1 519 . 20 1 1 A 67 67 ALA C C 49 178.339 180.639 -2.300 1
1 520 . 20 1 1 A 67 67 ALA CA C 49 56.037 55.119 0.918 1
1 521 . 20 1 1 A 67 67 ALA CB C 49 18.126 18.367 -0.241 1
1 522 . 20 1 1 A 67 67 ALA N N 49 121.723 122.283 -0.560 1
1 523 . 20 1 1 A 68 68 LEU H H 50 6.888 7.975 -1.087 1
1 524 . 20 1 1 A 68 68 LEU HA H 50 4.020 4.105 -0.085 1
1 534 . 20 1 1 A 68 68 LEU C C 50 178.776 179.532 -0.756 1
1 535 . 20 1 1 A 68 68 LEU CA C 50 57.892 57.661 0.231 1
1 536 . 20 1 1 A 68 68 LEU CB C 50 41.832 41.309 0.523 1
1 540 . 20 1 1 A 68 68 LEU N N 50 115.156 119.112 -3.956 1
1 541 . 20 1 1 A 69 69 GLU H H 51 7.216 7.999 -0.783 1
1 542 . 20 1 1 A 69 69 GLU HA H 51 3.836 4.010 -0.174 1
1 547 . 20 1 1 A 69 69 GLU C C 51 178.721 179.394 -0.673 1
1 548 . 20 1 1 A 69 69 GLU CA C 51 59.257 59.170 0.087 1
1 549 . 20 1 1 A 69 69 GLU CB C 51 29.343 30.133 -0.790 1
1 551 . 20 1 1 A 69 69 GLU N N 51 119.727 120.260 -0.533 1
1 552 . 20 1 1 A 70 70 LEU H H 52 8.326 8.062 0.264 1
1 553 . 20 1 1 A 70 70 LEU HA H 52 3.501 3.758 -0.257 1
1 563 . 20 1 1 A 70 70 LEU C C 52 178.421 178.312 0.109 1
1 564 . 20 1 1 A 70 70 LEU CA C 52 56.814 57.017 -0.203 1
1 565 . 20 1 1 A 70 70 LEU CB C 52 39.497 40.626 -1.129 1
1 569 . 20 1 1 A 70 70 LEU N N 52 117.442 119.315 -1.873 1
1 570 . 20 1 1 A 71 71 TYR H H 53 7.440 7.956 -0.516 1
1 571 . 20 1 1 A 71 71 TYR HA H 53 4.010 3.961 0.049 1
1 578 . 20 1 1 A 71 71 TYR C C 53 177.602 177.891 -0.289 1
1 579 . 20 1 1 A 71 71 TYR CA C 53 60.751 61.485 -0.734 1
1 580 . 20 1 1 A 71 71 TYR CB C 53 38.221 38.695 -0.474 1
1 583 . 20 1 1 A 71 71 TYR N N 53 118.670 120.380 -1.710 1
1 584 . 20 1 1 A 72 72 LYS H H 54 7.720 8.074 -0.354 1
1 585 . 20 1 1 A 72 72 LYS HA H 54 3.543 3.865 -0.322 1
1 594 . 20 1 1 A 72 72 LYS C C 54 178.216 177.593 0.623 1
1 595 . 20 1 1 A 72 72 LYS CA C 54 59.475 58.771 0.704 1
1 596 . 20 1 1 A 72 72 LYS CB C 54 32.400 31.860 0.540 1
1 600 . 20 1 1 A 72 72 LYS N N 54 120.512 118.203 2.309 1
1 601 . 20 1 1 A 73 73 ILE H H 55 7.265 7.188 0.077 1
1 602 . 20 1 1 A 73 73 ILE HA H 55 4.327 4.068 0.259 1
1 610 . 20 1 1 A 73 73 ILE CA C 55 60.625 60.966 -0.341 1
1 611 . 20 1 1 A 73 73 ILE CB C 55 38.244 38.409 -0.165 1
1 614 . 20 1 1 A 73 73 ILE N N 55 109.032 115.452 -6.420 1
1 615 . 20 1 1 A 74 74 ASN HA H 56 4.225 4.348 -0.123 1
1 620 . 20 1 1 A 74 74 ASN C C 56 174.532 174.627 -0.095 1
1 621 . 20 1 1 A 74 74 ASN CA C 56 53.853 54.361 -0.508 1
1 622 . 20 1 1 A 74 74 ASN CB C 56 37.027 36.648 0.379 1
1 624 . 20 1 1 A 75 75 ALA H H 57 7.653 7.614 0.039 1
1 625 . 20 1 1 A 75 75 ALA HA H 57 4.126 4.337 -0.211 1
1 629 . 20 1 1 A 75 75 ALA C C 57 177.848 177.067 0.781 1
1 630 . 20 1 1 A 75 75 ALA CA C 57 51.969 52.028 -0.059 1
1 631 . 20 1 1 A 75 75 ALA CB C 57 20.500 19.822 0.678 1
1 632 . 20 1 1 A 75 75 ALA N N 57 119.216 118.952 0.264 1
1 633 . 20 1 1 A 76 76 LYS H H 58 8.612 8.460 0.152 1
1 634 . 20 1 1 A 76 76 LYS HA H 58 3.999 4.205 -0.206 1
1 643 . 20 1 1 A 76 76 LYS C C 58 176.142 175.712 0.430 1
1 644 . 20 1 1 A 76 76 LYS CA C 58 58.220 56.593 1.627 1
1 645 . 20 1 1 A 76 76 LYS CB C 58 32.673 32.719 -0.046 1
1 649 . 20 1 1 A 76 76 LYS N N 58 122.696 119.105 3.591 1
1 650 . 20 1 1 A 77 77 LEU H H 59 8.427 8.898 -0.471 1
1 651 . 20 1 1 A 77 77 LEU HA H 59 4.954 5.663 -0.709 1
1 661 . 20 1 1 A 77 77 LEU C C 59 177.712 174.891 2.821 1
1 662 . 20 1 1 A 77 77 LEU CA C 59 52.843 53.547 -0.704 1
1 663 . 20 1 1 A 77 77 LEU CB C 59 43.611 45.733 -2.122 1
1 667 . 20 1 1 A 77 77 LEU N N 59 129.775 124.933 4.842 1
1 668 . 20 1 1 A 78 78 CYS H H 60 8.573 8.439 0.134 1
1 669 . 20 1 1 A 78 78 CYS HA H 60 3.938 4.851 -0.913 1
1 672 . 20 1 1 A 78 78 CYS C C 60 176.265 174.005 2.260 1
1 673 . 20 1 1 A 78 78 CYS CA C 60 61.768 58.074 3.694 1
1 674 . 20 1 1 A 78 78 CYS CB C 60 31.103 27.259 3.844 1
1 675 . 20 1 1 A 78 78 CYS N N 60 126.244 126.044 0.200 1
1 676 . 20 1 1 A 79 79 ASP H H 61 8.570 8.470 0.100 1
1 677 . 20 1 1 A 79 79 ASP HA H 61 4.765 5.079 -0.314 1
1 680 . 20 1 1 A 79 79 ASP CA C 61 52.464 52.252 0.212 1
1 681 . 20 1 1 A 79 79 ASP CB C 61 40.598 41.273 -0.675 1
1 682 . 20 1 1 A 79 79 ASP N N 61 123.037 124.027 -0.990 1
1 683 . 20 1 1 A 80 80 PRO HA H 62 4.351 4.683 -0.332 1
1 690 . 20 1 1 A 80 80 PRO C C 62 175.296 176.293 -0.997 1
1 691 . 20 1 1 A 80 80 PRO CA C 62 63.419 62.898 0.521 1
1 692 . 20 1 1 A 80 80 PRO CB C 62 31.963 31.788 0.175 1
1 695 . 20 1 1 A 81 81 HIS H H 63 8.283 8.325 -0.042 1
1 696 . 20 1 1 A 81 81 HIS HA H 63 4.737 4.965 -0.228 1
1 697 . 20 1 1 A 81 81 HIS CA C 63 54.272 53.850 0.422 1
1 698 . 20 1 1 A 81 81 HIS N N 63 122.934 117.205 5.729 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 54 1.336 1
2 1 1 1 "RMS(OBS, PRED)" CA 61 1.433 1
3 1 1 1 "RMS(OBS, PRED)" CB 58 1.243 1
4 1 1 1 "RMS(OBS, PRED)" H 55 0.486 1
5 1 1 1 "RMS(OBS, PRED)" HA 63 0.369 1
6 1 1 1 "RMS(OBS, PRED)" N 55 2.994 1
7 1 2 1 "RMS(OBS, PRED)" C 54 1.212 1
8 1 2 1 "RMS(OBS, PRED)" CA 61 1.379 1
9 1 2 1 "RMS(OBS, PRED)" CB 58 1.187 1
10 1 2 1 "RMS(OBS, PRED)" H 55 0.532 1
11 1 2 1 "RMS(OBS, PRED)" HA 63 0.331 1
12 1 2 1 "RMS(OBS, PRED)" N 55 2.836 1
13 1 3 1 "RMS(OBS, PRED)" C 54 1.322 1
14 1 3 1 "RMS(OBS, PRED)" CA 61 1.416 1
15 1 3 1 "RMS(OBS, PRED)" CB 58 1.337 1
16 1 3 1 "RMS(OBS, PRED)" H 55 0.514 1
17 1 3 1 "RMS(OBS, PRED)" HA 63 0.346 1
18 1 3 1 "RMS(OBS, PRED)" N 55 2.835 1
19 1 4 1 "RMS(OBS, PRED)" C 54 1.151 1
20 1 4 1 "RMS(OBS, PRED)" CA 61 1.366 1
21 1 4 1 "RMS(OBS, PRED)" CB 58 1.130 1
22 1 4 1 "RMS(OBS, PRED)" H 55 0.504 1
23 1 4 1 "RMS(OBS, PRED)" HA 63 0.332 1
24 1 4 1 "RMS(OBS, PRED)" N 55 2.854 1
25 1 5 1 "RMS(OBS, PRED)" C 54 1.223 1
26 1 5 1 "RMS(OBS, PRED)" CA 61 1.275 1
27 1 5 1 "RMS(OBS, PRED)" CB 58 1.167 1
28 1 5 1 "RMS(OBS, PRED)" H 55 0.537 1
29 1 5 1 "RMS(OBS, PRED)" HA 63 0.325 1
30 1 5 1 "RMS(OBS, PRED)" N 55 2.827 1
31 1 6 1 "RMS(OBS, PRED)" C 54 1.351 1
32 1 6 1 "RMS(OBS, PRED)" CA 61 1.374 1
33 1 6 1 "RMS(OBS, PRED)" CB 58 1.366 1
34 1 6 1 "RMS(OBS, PRED)" H 55 0.582 1
35 1 6 1 "RMS(OBS, PRED)" HA 63 0.390 1
36 1 6 1 "RMS(OBS, PRED)" N 55 2.836 1
37 1 7 1 "RMS(OBS, PRED)" C 54 1.139 1
38 1 7 1 "RMS(OBS, PRED)" CA 61 1.448 1
39 1 7 1 "RMS(OBS, PRED)" CB 58 1.245 1
40 1 7 1 "RMS(OBS, PRED)" H 55 0.537 1
41 1 7 1 "RMS(OBS, PRED)" HA 63 0.345 1
42 1 7 1 "RMS(OBS, PRED)" N 55 2.781 1
43 1 8 1 "RMS(OBS, PRED)" C 54 1.296 1
44 1 8 1 "RMS(OBS, PRED)" CA 61 1.301 1
45 1 8 1 "RMS(OBS, PRED)" CB 58 1.260 1
46 1 8 1 "RMS(OBS, PRED)" H 55 0.493 1
47 1 8 1 "RMS(OBS, PRED)" HA 63 0.319 1
48 1 8 1 "RMS(OBS, PRED)" N 55 2.935 1
49 1 9 1 "RMS(OBS, PRED)" C 54 1.244 1
50 1 9 1 "RMS(OBS, PRED)" CA 61 1.412 1
51 1 9 1 "RMS(OBS, PRED)" CB 58 1.155 1
52 1 9 1 "RMS(OBS, PRED)" H 55 0.532 1
53 1 9 1 "RMS(OBS, PRED)" HA 63 0.333 1
54 1 9 1 "RMS(OBS, PRED)" N 55 3.134 1
55 1 10 1 "RMS(OBS, PRED)" C 54 1.319 1
56 1 10 1 "RMS(OBS, PRED)" CA 61 1.352 1
57 1 10 1 "RMS(OBS, PRED)" CB 58 1.391 1
58 1 10 1 "RMS(OBS, PRED)" H 55 0.539 1
59 1 10 1 "RMS(OBS, PRED)" HA 63 0.341 1
60 1 10 1 "RMS(OBS, PRED)" N 55 2.899 1
61 1 11 1 "RMS(OBS, PRED)" C 54 1.236 1
62 1 11 1 "RMS(OBS, PRED)" CA 61 1.390 1
63 1 11 1 "RMS(OBS, PRED)" CB 58 1.458 1
64 1 11 1 "RMS(OBS, PRED)" H 55 0.491 1
65 1 11 1 "RMS(OBS, PRED)" HA 63 0.327 1
66 1 11 1 "RMS(OBS, PRED)" N 55 2.862 1
67 1 12 1 "RMS(OBS, PRED)" C 54 1.287 1
68 1 12 1 "RMS(OBS, PRED)" CA 61 1.393 1
69 1 12 1 "RMS(OBS, PRED)" CB 58 1.154 1
70 1 12 1 "RMS(OBS, PRED)" H 55 0.528 1
71 1 12 1 "RMS(OBS, PRED)" HA 63 0.316 1
72 1 12 1 "RMS(OBS, PRED)" N 55 2.959 1
73 1 13 1 "RMS(OBS, PRED)" C 54 1.266 1
74 1 13 1 "RMS(OBS, PRED)" CA 61 1.340 1
75 1 13 1 "RMS(OBS, PRED)" CB 58 1.207 1
76 1 13 1 "RMS(OBS, PRED)" H 55 0.503 1
77 1 13 1 "RMS(OBS, PRED)" HA 63 0.304 1
78 1 13 1 "RMS(OBS, PRED)" N 55 2.907 1
79 1 14 1 "RMS(OBS, PRED)" C 54 1.308 1
80 1 14 1 "RMS(OBS, PRED)" CA 61 1.342 1
81 1 14 1 "RMS(OBS, PRED)" CB 58 1.271 1
82 1 14 1 "RMS(OBS, PRED)" H 55 0.523 1
83 1 14 1 "RMS(OBS, PRED)" HA 63 0.371 1
84 1 14 1 "RMS(OBS, PRED)" N 55 2.829 1
85 1 15 1 "RMS(OBS, PRED)" C 54 1.361 1
86 1 15 1 "RMS(OBS, PRED)" CA 61 1.412 1
87 1 15 1 "RMS(OBS, PRED)" CB 58 1.250 1
88 1 15 1 "RMS(OBS, PRED)" H 55 0.509 1
89 1 15 1 "RMS(OBS, PRED)" HA 63 0.324 1
90 1 15 1 "RMS(OBS, PRED)" N 55 2.678 1
91 1 16 1 "RMS(OBS, PRED)" C 54 1.289 1
92 1 16 1 "RMS(OBS, PRED)" CA 61 1.281 1
93 1 16 1 "RMS(OBS, PRED)" CB 58 1.200 1
94 1 16 1 "RMS(OBS, PRED)" H 55 0.505 1
95 1 16 1 "RMS(OBS, PRED)" HA 63 0.363 1
96 1 16 1 "RMS(OBS, PRED)" N 55 2.730 1
97 1 17 1 "RMS(OBS, PRED)" C 54 1.248 1
98 1 17 1 "RMS(OBS, PRED)" CA 61 1.326 1
99 1 17 1 "RMS(OBS, PRED)" CB 58 1.296 1
100 1 17 1 "RMS(OBS, PRED)" H 55 0.510 1
101 1 17 1 "RMS(OBS, PRED)" HA 63 0.350 1
102 1 17 1 "RMS(OBS, PRED)" N 55 2.709 1
103 1 18 1 "RMS(OBS, PRED)" C 54 1.248 1
104 1 18 1 "RMS(OBS, PRED)" CA 61 1.241 1
105 1 18 1 "RMS(OBS, PRED)" CB 58 1.345 1
106 1 18 1 "RMS(OBS, PRED)" H 55 0.532 1
107 1 18 1 "RMS(OBS, PRED)" HA 63 0.321 1
108 1 18 1 "RMS(OBS, PRED)" N 55 2.727 1
109 1 19 1 "RMS(OBS, PRED)" C 54 1.280 1
110 1 19 1 "RMS(OBS, PRED)" CA 61 1.418 1
111 1 19 1 "RMS(OBS, PRED)" CB 58 1.350 1
112 1 19 1 "RMS(OBS, PRED)" H 55 0.539 1
113 1 19 1 "RMS(OBS, PRED)" HA 63 0.392 1
114 1 19 1 "RMS(OBS, PRED)" N 55 2.726 1
115 1 20 1 "RMS(OBS, PRED)" C 54 1.302 1
116 1 20 1 "RMS(OBS, PRED)" CA 61 1.410 1
117 1 20 1 "RMS(OBS, PRED)" CB 58 1.289 1
118 1 20 1 "RMS(OBS, PRED)" H 55 0.521 1
119 1 20 1 "RMS(OBS, PRED)" HA 63 0.382 1
120 1 20 1 "RMS(OBS, PRED)" N 55 2.947 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 20 20 LYS HA H 2 4.205 4.347 -0.142 2
1 8 . 1 1 A 20 20 LYS C C 2 176.538 176.232 0.306 2
1 9 . 1 1 A 20 20 LYS CA C 2 56.364 56.058 0.306 2
1 10 . 1 1 A 20 20 LYS CB C 2 30.708 32.251 -1.543 2
1 13 . 1 1 A 21 21 ARG H H 3 8.541 8.371 0.169 2
1 14 . 1 1 A 21 21 ARG N N 3 120.785 124.927 -4.142 2
1 15 . 1 1 A 22 22 ALA HA H 4 4.082 3.978 0.104 2
1 19 . 1 1 A 22 22 ALA CA C 4 54.047 55.062 -1.015 2
1 20 . 1 1 A 22 22 ALA CB C 4 18.824 18.125 0.699 2
1 21 . 1 1 A 23 23 ALA HA H 5 4.177 4.127 0.050 2
1 25 . 1 1 A 23 23 ALA C C 5 178.940 179.446 -0.506 2
1 26 . 1 1 A 23 23 ALA CA C 5 53.798 54.988 -1.190 2
1 27 . 1 1 A 23 23 ALA CB C 5 18.753 18.387 0.366 2
1 28 . 1 1 A 24 24 ALA H H 6 7.783 7.907 -0.124 2
1 29 . 1 1 A 24 24 ALA HA H 6 4.007 4.164 -0.157 2
1 33 . 1 1 A 24 24 ALA C C 6 178.203 179.440 -1.237 2
1 34 . 1 1 A 24 24 ALA CA C 6 54.590 55.203 -0.613 2
1 35 . 1 1 A 24 24 ALA CB C 6 18.494 18.242 0.252 2
1 36 . 1 1 A 24 24 ALA N N 6 121.484 120.644 0.840 2
1 37 . 1 1 A 25 25 LYS H H 7 7.921 7.860 0.061 2
1 38 . 1 1 A 25 25 LYS HA H 7 3.723 3.982 -0.259 2
1 47 . 1 1 A 25 25 LYS C C 7 178.121 179.097 -0.976 2
1 48 . 1 1 A 25 25 LYS CA C 7 59.475 59.139 0.336 2
1 49 . 1 1 A 25 25 LYS CB C 7 32.382 32.027 0.355 2
1 53 . 1 1 A 25 25 LYS N N 7 117.083 118.600 -1.517 2
1 54 . 1 1 A 26 26 HIS H H 8 7.810 7.793 0.017 2
1 55 . 1 1 A 26 26 HIS HA H 8 4.327 4.354 -0.027 2
1 58 . 1 1 A 26 26 HIS C C 8 175.774 177.883 -2.109 2
1 59 . 1 1 A 26 26 HIS CA C 8 58.657 59.753 -1.096 2
1 60 . 1 1 A 26 26 HIS CB C 8 30.271 30.381 -0.110 2
1 61 . 1 1 A 26 26 HIS N N 8 117.117 118.300 -1.184 2
1 62 . 1 1 A 27 27 LEU H H 9 7.710 8.164 -0.454 2
1 63 . 1 1 A 27 27 LEU HA H 9 3.921 3.948 -0.027 2
1 72 . 1 1 A 27 27 LEU C C 9 178.585 179.155 -0.570 2
1 73 . 1 1 A 27 27 LEU CA C 9 58.002 58.029 -0.027 2
1 74 . 1 1 A 27 27 LEU CB C 9 42.288 41.748 0.539 2
1 77 . 1 1 A 27 27 LEU N N 9 120.717 119.607 1.110 2
1 78 . 1 1 A 28 28 ILE H H 10 8.559 7.984 0.575 2
1 79 . 1 1 A 28 28 ILE HA H 10 3.656 3.621 0.035 2
1 89 . 1 1 A 28 28 ILE C C 10 178.148 178.231 -0.083 2
1 90 . 1 1 A 28 28 ILE CA C 10 66.845 65.113 1.732 2
1 91 . 1 1 A 28 28 ILE CB C 10 37.913 37.423 0.490 2
1 95 . 1 1 A 28 28 ILE N N 10 120.086 120.030 0.056 2
1 96 . 1 1 A 29 29 GLU H H 11 7.849 8.094 -0.245 2
1 97 . 1 1 A 29 29 GLU HA H 11 4.013 4.083 -0.070 2
1 102 . 1 1 A 29 29 GLU C C 11 179.376 179.305 0.071 2
1 103 . 1 1 A 29 29 GLU CA C 11 59.584 59.406 0.178 2
1 104 . 1 1 A 29 29 GLU CB C 11 29.070 29.129 -0.059 2
1 106 . 1 1 A 29 29 GLU N N 11 118.346 120.833 -2.487 2
1 107 . 1 1 A 30 30 ARG H H 12 7.839 7.715 0.124 2
1 108 . 1 1 A 30 30 ARG HA H 12 4.064 4.032 0.032 2
1 115 . 1 1 A 30 30 ARG C C 12 180.318 178.799 1.519 2
1 116 . 1 1 A 30 30 ARG CA C 12 59.585 59.292 0.293 2
1 117 . 1 1 A 30 30 ARG CB C 12 29.234 29.995 -0.761 2
1 120 . 1 1 A 30 30 ARG N N 12 120.904 119.528 1.376 2
1 121 . 1 1 A 31 31 TYR H H 13 8.545 8.019 0.526 2
1 122 . 1 1 A 31 31 TYR HA H 13 4.064 4.313 -0.249 2
1 129 . 1 1 A 31 31 TYR C C 13 177.725 178.602 -0.877 2
1 130 . 1 1 A 31 31 TYR CA C 13 63.351 60.194 3.157 2
1 131 . 1 1 A 31 31 TYR CB C 13 38.623 38.027 0.596 2
1 134 . 1 1 A 31 31 TYR N N 13 120.393 119.772 0.621 2
1 135 . 1 1 A 32 32 TYR H H 14 8.783 8.492 0.291 2
1 136 . 1 1 A 32 32 TYR HA H 14 3.948 4.252 -0.304 2
1 143 . 1 1 A 32 32 TYR C C 14 178.599 177.462 1.137 2
1 144 . 1 1 A 32 32 TYR CA C 14 62.669 61.852 0.817 2
1 145 . 1 1 A 32 32 TYR CB C 14 38.350 38.497 -0.147 2
1 148 . 1 1 A 32 32 TYR N N 14 120.342 120.045 0.297 2
1 149 . 1 1 A 33 33 HIS H H 15 8.740 8.313 0.427 2
1 150 . 1 1 A 33 33 HIS HA H 15 3.906 4.291 -0.385 2
1 153 . 1 1 A 33 33 HIS C C 15 177.834 176.969 0.865 2
1 154 . 1 1 A 33 33 HIS CA C 15 60.622 59.826 0.796 2
1 155 . 1 1 A 33 33 HIS CB C 15 30.599 29.429 1.170 2
1 156 . 1 1 A 33 33 HIS N N 15 121.297 118.909 2.388 2
1 157 . 1 1 A 34 34 GLN H H 16 8.371 8.052 0.319 2
1 158 . 1 1 A 34 34 GLN HA H 16 3.709 3.968 -0.259 2
1 165 . 1 1 A 34 34 GLN C C 16 176.238 178.047 -1.809 2
1 166 . 1 1 A 34 34 GLN CA C 16 60.185 58.656 1.529 2
1 167 . 1 1 A 34 34 GLN CB C 16 30.653 28.273 2.380 2
1 169 . 1 1 A 34 34 GLN N N 16 122.576 118.683 3.893 2
1 171 . 1 1 A 35 35 LEU H H 17 7.916 7.721 0.195 2
1 172 . 1 1 A 35 35 LEU HA H 17 3.978 3.902 0.076 2
1 182 . 1 1 A 35 35 LEU C C 17 175.624 178.963 -3.339 2
1 183 . 1 1 A 35 35 LEU CA C 17 56.377 57.253 -0.876 2
1 184 . 1 1 A 35 35 LEU CB C 17 45.098 42.035 3.063 2
1 188 . 1 1 A 35 35 LEU N N 17 116.299 119.000 -2.701 2
1 189 . 1 1 A 36 36 THR H H 18 7.148 7.710 -0.562 2
1 190 . 1 1 A 36 36 THR HA H 18 4.215 4.051 0.164 2
1 195 . 1 1 A 36 36 THR C C 18 174.709 176.709 -2.000 2
1 196 . 1 1 A 36 36 THR CA C 18 61.522 64.881 -3.359 2
1 197 . 1 1 A 36 36 THR CB C 18 70.434 68.475 1.959 2
1 199 . 1 1 A 36 36 THR N N 18 105.023 110.376 -5.353 2
1 200 . 1 1 A 37 37 GLU H H 19 8.234 7.800 0.434 2
1 201 . 1 1 A 37 37 GLU HA H 19 4.187 4.205 -0.018 2
1 206 . 1 1 A 37 37 GLU C C 19 177.657 177.304 0.353 2
1 207 . 1 1 A 37 37 GLU CA C 19 56.855 56.620 0.235 2
1 208 . 1 1 A 37 37 GLU CB C 19 30.872 30.486 0.386 2
1 210 . 1 1 A 37 37 GLU N N 19 122.559 120.005 2.553 2
1 211 . 1 1 A 38 38 GLY H H 20 7.485 7.840 -0.355 2
1 212 . 1 1 A 38 38 GLY HA2 H 20 4.586 3.871 0.715 2
1 213 . 1 1 A 38 38 GLY HA3 H 20 4.358 3.899 0.459 2
1 214 . 1 1 A 38 38 GLY C C 20 172.976 174.343 -1.367 2
1 215 . 1 1 A 38 38 GLY CA C 20 44.177 45.740 -1.563 2
1 216 . 1 1 A 38 38 GLY N N 20 107.019 106.630 0.389 2
1 217 . 1 1 A 39 39 CYS H H 21 7.410 8.181 -0.771 2
1 218 . 1 1 A 39 39 CYS HA H 21 4.498 4.654 -0.156 2
1 221 . 1 1 A 39 39 CYS C C 21 176.865 175.862 1.003 2
1 222 . 1 1 A 39 39 CYS CA C 21 58.493 58.386 0.107 2
1 223 . 1 1 A 39 39 CYS CB C 21 31.636 29.200 2.436 2
1 224 . 1 1 A 39 39 CYS N N 21 118.260 122.901 -4.641 2
1 225 . 1 1 A 40 40 GLY H H 22 8.670 8.137 0.533 2
1 226 . 1 1 A 40 40 GLY HA2 H 22 4.260 3.949 0.311 2
1 227 . 1 1 A 40 40 GLY HA3 H 22 3.505 3.961 -0.456 2
1 228 . 1 1 A 40 40 GLY C C 22 173.618 174.324 -0.706 2
1 229 . 1 1 A 40 40 GLY CA C 22 45.188 45.308 -0.120 2
1 230 . 1 1 A 40 40 GLY N N 22 112.324 110.625 1.699 2
1 231 . 1 1 A 41 41 ASN H H 23 8.379 7.911 0.468 2
1 232 . 1 1 A 41 41 ASN HA H 23 4.452 4.638 -0.186 2
1 237 . 1 1 A 41 41 ASN C C 23 175.132 176.397 -1.265 2
1 238 . 1 1 A 41 41 ASN CA C 23 52.106 53.789 -1.683 2
1 239 . 1 1 A 41 41 ASN CB C 23 38.678 39.211 -0.533 2
1 240 . 1 1 A 41 41 ASN N N 23 122.184 119.831 2.353 2
1 242 . 1 1 A 42 42 GLU H H 24 8.769 8.837 -0.068 2
1 243 . 1 1 A 42 42 GLU HA H 24 4.167 4.143 0.024 2
1 248 . 1 1 A 42 42 GLU C C 24 175.801 177.124 -1.323 2
1 249 . 1 1 A 42 42 GLU CA C 24 57.947 59.243 -1.296 2
1 250 . 1 1 A 42 42 GLU CB C 24 29.016 29.412 -0.396 2
1 252 . 1 1 A 42 42 GLU N N 24 124.589 125.386 -0.797 2
1 253 . 1 1 A 43 43 ALA H H 25 7.839 7.555 0.284 2
1 254 . 1 1 A 43 43 ALA HA H 25 4.381 4.432 -0.051 2
1 258 . 1 1 A 43 43 ALA C C 25 175.842 176.457 -0.615 2
1 259 . 1 1 A 43 43 ALA CA C 25 50.319 51.508 -1.188 2
1 260 . 1 1 A 43 43 ALA CB C 25 18.563 18.139 0.424 2
1 261 . 1 1 A 43 43 ALA N N 25 121.706 120.259 1.447 2
1 262 . 1 1 A 44 44 CYS H H 26 7.350 7.993 -0.643 2
1 263 . 1 1 A 44 44 CYS HA H 26 3.757 4.851 -1.094 2
1 266 . 1 1 A 44 44 CYS C C 26 176.019 174.599 1.420 2
1 267 . 1 1 A 44 44 CYS CA C 26 62.696 58.043 4.653 2
1 268 . 1 1 A 44 44 CYS CB C 26 29.671 29.459 0.213 2
1 269 . 1 1 A 44 44 CYS N N 26 124.265 120.435 3.830 2
1 270 . 1 1 A 45 45 THR H H 27 7.872 8.768 -0.896 2
1 271 . 1 1 A 45 45 THR HA H 27 4.511 4.551 -0.040 2
1 276 . 1 1 A 45 45 THR C C 27 174.969 173.472 1.497 2
1 277 . 1 1 A 45 45 THR CA C 27 61.113 61.459 -0.346 2
1 278 . 1 1 A 45 45 THR CB C 27 69.834 68.501 1.333 2
1 280 . 1 1 A 45 45 THR N N 27 115.292 120.199 -4.907 2
1 281 . 1 1 A 46 46 ASN H H 28 9.336 7.879 1.457 2
1 282 . 1 1 A 46 46 ASN HA H 28 4.430 4.952 -0.522 2
1 287 . 1 1 A 46 46 ASN C C 28 174.273 175.385 -1.112 2
1 288 . 1 1 A 46 46 ASN CA C 28 53.144 52.582 0.562 2
1 289 . 1 1 A 46 46 ASN CB C 28 38.500 40.209 -1.709 2
1 290 . 1 1 A 46 46 ASN N N 28 127.779 123.026 4.753 2
1 292 . 1 1 A 47 47 GLU H H 29 8.499 8.940 -0.441 2
1 293 . 1 1 A 47 47 GLU HA H 29 4.006 4.162 -0.156 2
1 298 . 1 1 A 47 47 GLU C C 29 175.815 176.922 -1.107 2
1 299 . 1 1 A 47 47 GLU CA C 29 58.111 58.552 -0.441 2
1 300 . 1 1 A 47 47 GLU CB C 29 29.070 28.840 0.230 2
1 302 . 1 1 A 47 47 GLU N N 29 123.804 125.281 -1.477 2
1 303 . 1 1 A 48 48 PHE H H 30 7.423 7.531 -0.108 2
1 304 . 1 1 A 48 48 PHE HA H 30 4.860 4.776 0.084 2
1 311 . 1 1 A 48 48 PHE C C 30 171.980 174.813 -2.833 2
1 312 . 1 1 A 48 48 PHE CA C 30 56.336 57.327 -0.991 2
1 313 . 1 1 A 48 48 PHE CB C 30 38.132 38.307 -0.175 2
1 316 . 1 1 A 48 48 PHE N N 30 117.186 118.031 -0.845 2
1 317 . 1 1 A 49 49 CYS H H 31 7.420 7.620 -0.200 2
1 318 . 1 1 A 49 49 CYS HA H 31 4.264 4.778 -0.514 2
1 321 . 1 1 A 49 49 CYS C C 31 174.436 173.161 1.275 2
1 322 . 1 1 A 49 49 CYS CA C 31 57.047 57.490 -0.443 2
1 323 . 1 1 A 49 49 CYS CB C 31 33.492 31.095 2.397 2
1 324 . 1 1 A 49 49 CYS N N 31 121.843 119.471 2.372 2
1 325 . 1 1 A 50 50 ALA H H 32 7.949 8.309 -0.360 2
1 326 . 1 1 A 50 50 ALA HA H 32 2.992 3.755 -0.763 2
1 330 . 1 1 A 50 50 ALA C C 32 178.762 178.008 0.754 2
1 331 . 1 1 A 50 50 ALA CA C 32 53.007 51.849 1.158 2
1 332 . 1 1 A 50 50 ALA CB C 32 17.007 19.406 -2.399 2
1 333 . 1 1 A 50 50 ALA N N 32 128.103 127.622 0.481 2
1 334 . 1 1 A 51 51 SER H H 33 9.507 8.755 0.752 2
1 335 . 1 1 A 51 51 SER HA H 33 4.299 4.103 0.196 2
1 338 . 1 1 A 51 51 SER C C 33 173.399 173.366 0.033 2
1 339 . 1 1 A 51 51 SER CA C 33 60.840 60.185 0.655 2
1 340 . 1 1 A 51 51 SER CB C 33 63.679 62.001 1.678 2
1 341 . 1 1 A 51 51 SER N N 33 119.062 112.536 6.526 2
1 342 . 1 1 A 52 52 CYS H H 34 7.978 7.699 0.279 2
1 343 . 1 1 A 52 52 CYS HA H 34 4.652 4.788 -0.136 2
1 346 . 1 1 A 52 52 CYS CA C 34 55.835 57.327 -1.492 2
1 347 . 1 1 A 52 52 CYS CB C 34 27.879 28.555 -0.676 2
1 348 . 1 1 A 52 52 CYS N N 34 124.589 119.839 4.750 2
1 349 . 1 1 A 53 53 PRO HA H 35 4.393 4.419 -0.026 2
1 356 . 1 1 A 53 53 PRO C C 35 177.889 177.366 0.523 2
1 357 . 1 1 A 53 53 PRO CA C 35 65.180 64.553 0.627 2
1 358 . 1 1 A 53 53 PRO CB C 35 32.850 31.876 0.974 2
1 361 . 1 1 A 54 54 THR H H 36 7.507 7.714 -0.207 2
1 362 . 1 1 A 54 54 THR HA H 36 4.314 4.325 -0.011 2
1 367 . 1 1 A 54 54 THR C C 36 174.177 174.606 -0.429 2
1 368 . 1 1 A 54 54 THR CA C 36 61.195 62.474 -1.279 2
1 369 . 1 1 A 54 54 THR CB C 36 68.101 69.195 -1.094 2
1 371 . 1 1 A 54 54 THR N N 36 107.002 108.073 -1.072 2
1 372 . 1 1 A 55 55 PHE H H 37 7.716 7.627 0.090 2
1 373 . 1 1 A 55 55 PHE HA H 37 4.204 4.779 -0.575 2
1 380 . 1 1 A 55 55 PHE C C 37 175.228 174.025 1.203 2
1 381 . 1 1 A 55 55 PHE CA C 37 58.875 57.371 1.504 2
1 382 . 1 1 A 55 55 PHE CB C 37 40.942 40.875 0.067 2
1 385 . 1 1 A 55 55 PHE N N 37 124.794 123.569 1.225 2
1 386 . 1 1 A 56 56 LEU H H 38 7.490 8.367 -0.877 2
1 387 . 1 1 A 56 56 LEU HA H 38 4.310 4.700 -0.390 2
1 397 . 1 1 A 56 56 LEU C C 38 174.300 175.859 -1.559 2
1 398 . 1 1 A 56 56 LEU CA C 38 53.416 53.436 -0.020 2
1 399 . 1 1 A 56 56 LEU CB C 38 41.386 43.990 -2.604 2
1 403 . 1 1 A 56 56 LEU N N 38 130.713 128.020 2.693 2
1 404 . 1 1 A 57 57 ARG H H 39 7.930 8.306 -0.376 2
1 405 . 1 1 A 57 57 ARG HA H 39 3.994 4.299 -0.305 2
1 412 . 1 1 A 57 57 ARG CA C 39 57.374 56.481 0.893 2
1 413 . 1 1 A 57 57 ARG CB C 39 30.517 30.834 -0.317 2
1 416 . 1 1 A 57 57 ARG N N 39 122.866 124.808 -1.942 2
1 417 . 1 1 A 58 58 MET H H 40 8.408 8.636 -0.228 2
1 418 . 1 1 A 58 58 MET HA H 40 4.706 5.096 -0.390 2
1 423 . 1 1 A 58 58 MET C C 40 175.160 174.790 0.370 2
1 424 . 1 1 A 58 58 MET CA C 40 53.908 53.552 0.356 2
1 425 . 1 1 A 58 58 MET CB C 40 36.603 35.662 0.941 2
1 427 . 1 1 A 58 58 MET N N 40 121.024 120.463 0.561 2
1 428 . 1 1 A 59 59 ASP H H 41 8.419 8.759 -0.340 2
1 429 . 1 1 A 59 59 ASP HA H 41 4.588 4.794 -0.206 2
1 432 . 1 1 A 59 59 ASP CA C 41 53.699 53.694 0.005 2
1 433 . 1 1 A 59 59 ASP CB C 41 41.540 42.050 -0.510 2
1 434 . 1 1 A 59 59 ASP N N 41 120.478 120.800 -0.322 2
1 435 . 1 1 A 60 60 ASN HA H 42 4.317 4.488 -0.171 2
1 440 . 1 1 A 60 60 ASN C C 42 177.739 177.822 -0.083 2
1 441 . 1 1 A 60 60 ASN CA C 42 56.637 56.184 0.453 2
1 442 . 1 1 A 60 60 ASN CB C 42 37.586 37.905 -0.319 2
1 444 . 1 1 A 61 61 ASN H H 43 8.442 7.938 0.504 2
1 445 . 1 1 A 61 61 ASN HA H 43 4.450 4.539 -0.089 2
1 448 . 1 1 A 61 61 ASN C C 43 177.439 177.550 -0.111 2
1 449 . 1 1 A 61 61 ASN CA C 43 56.528 56.256 0.272 2
1 450 . 1 1 A 61 61 ASN CB C 43 38.023 38.159 -0.136 2
1 451 . 1 1 A 61 61 ASN N N 43 118.960 118.738 0.222 2
1 452 . 1 1 A 62 62 ALA H H 44 8.229 8.107 0.122 2
1 453 . 1 1 A 62 62 ALA HA H 44 4.102 4.123 -0.021 2
1 457 . 1 1 A 62 62 ALA C C 44 180.973 180.218 0.755 2
1 458 . 1 1 A 62 62 ALA CA C 44 54.672 54.849 -0.176 2
1 459 . 1 1 A 62 62 ALA CB C 44 18.466 18.246 0.220 2
1 460 . 1 1 A 62 62 ALA N N 44 123.651 122.701 0.950 2
1 461 . 1 1 A 63 63 ALA H H 45 8.779 8.080 0.699 2
1 462 . 1 1 A 63 63 ALA HA H 45 4.238 4.285 -0.047 2
1 466 . 1 1 A 63 63 ALA C C 45 178.680 179.638 -0.958 2
1 467 . 1 1 A 63 63 ALA CA C 45 54.945 54.980 -0.035 2
1 468 . 1 1 A 63 63 ALA CB C 45 18.685 18.434 0.251 2
1 469 . 1 1 A 63 63 ALA N N 45 121.928 120.151 1.777 2
1 470 . 1 1 A 64 64 ALA H H 46 8.024 7.942 0.082 2
1 471 . 1 1 A 64 64 ALA HA H 46 4.109 4.288 -0.179 2
1 475 . 1 1 A 64 64 ALA C C 46 179.731 179.705 0.026 2
1 476 . 1 1 A 64 64 ALA CA C 46 55.873 55.230 0.643 2
1 477 . 1 1 A 64 64 ALA CB C 46 17.853 18.407 -0.554 2
1 478 . 1 1 A 64 64 ALA N N 46 121.126 120.513 0.613 2
1 479 . 1 1 A 65 65 ILE H H 47 7.220 7.900 -0.680 2
1 480 . 1 1 A 65 65 ILE HA H 47 3.740 3.634 0.106 2
1 490 . 1 1 A 65 65 ILE C C 47 179.049 178.162 0.887 2
1 491 . 1 1 A 65 65 ILE CA C 47 64.061 65.583 -1.522 2
1 492 . 1 1 A 65 65 ILE CB C 47 38.528 37.920 0.608 2
1 496 . 1 1 A 65 65 ILE N N 47 117.953 118.516 -0.563 2
1 497 . 1 1 A 66 66 LYS H H 48 8.363 8.086 0.277 2
1 498 . 1 1 A 66 66 LYS HA H 48 4.062 4.016 0.046 2
1 507 . 1 1 A 66 66 LYS C C 48 177.739 178.804 -1.065 2
1 508 . 1 1 A 66 66 LYS CA C 48 57.074 58.729 -1.655 2
1 509 . 1 1 A 66 66 LYS CB C 48 31.472 32.132 -0.660 2
1 513 . 1 1 A 66 66 LYS N N 48 121.894 120.947 0.947 2
1 514 . 1 1 A 67 67 ALA H H 49 8.730 8.182 0.548 2
1 515 . 1 1 A 67 67 ALA HA H 49 3.682 4.167 -0.485 2
1 519 . 1 1 A 67 67 ALA C C 49 178.339 180.341 -2.002 2
1 520 . 1 1 A 67 67 ALA CA C 49 56.037 55.138 0.899 2
1 521 . 1 1 A 67 67 ALA CB C 49 18.126 18.363 -0.237 2
1 522 . 1 1 A 67 67 ALA N N 49 121.723 122.278 -0.555 2
1 523 . 1 1 A 68 68 LEU H H 50 6.888 7.969 -1.081 2
1 524 . 1 1 A 68 68 LEU HA H 50 4.020 4.085 -0.065 2
1 534 . 1 1 A 68 68 LEU C C 50 178.776 179.364 -0.588 2
1 535 . 1 1 A 68 68 LEU CA C 50 57.892 57.621 0.271 2
1 536 . 1 1 A 68 68 LEU CB C 50 41.832 41.370 0.462 2
1 540 . 1 1 A 68 68 LEU N N 50 115.156 119.003 -3.847 2
1 541 . 1 1 A 69 69 GLU H H 51 7.216 8.019 -0.803 2
1 542 . 1 1 A 69 69 GLU HA H 51 3.836 4.015 -0.179 2
1 547 . 1 1 A 69 69 GLU C C 51 178.721 179.204 -0.483 2
1 548 . 1 1 A 69 69 GLU CA C 51 59.257 59.258 -0.001 2
1 549 . 1 1 A 69 69 GLU CB C 51 29.343 29.496 -0.153 2
1 551 . 1 1 A 69 69 GLU N N 51 119.727 119.867 -0.140 2
1 552 . 1 1 A 70 70 LEU H H 52 8.326 8.033 0.293 2
1 553 . 1 1 A 70 70 LEU HA H 52 3.501 3.754 -0.253 2
1 563 . 1 1 A 70 70 LEU C C 52 178.421 178.371 0.050 2
1 564 . 1 1 A 70 70 LEU CA C 52 56.814 57.123 -0.309 2
1 565 . 1 1 A 70 70 LEU CB C 52 39.497 40.833 -1.336 2
1 569 . 1 1 A 70 70 LEU N N 52 117.442 119.317 -1.875 2
1 570 . 1 1 A 71 71 TYR H H 53 7.440 7.898 -0.458 2
1 571 . 1 1 A 71 71 TYR HA H 53 4.010 3.806 0.204 2
1 578 . 1 1 A 71 71 TYR C C 53 177.602 177.838 -0.236 2
1 579 . 1 1 A 71 71 TYR CA C 53 60.751 61.383 -0.632 2
1 580 . 1 1 A 71 71 TYR CB C 53 38.221 38.620 -0.399 2
1 583 . 1 1 A 71 71 TYR N N 53 118.670 120.155 -1.485 2
1 584 . 1 1 A 72 72 LYS H H 54 7.720 8.030 -0.310 2
1 585 . 1 1 A 72 72 LYS HA H 54 3.543 3.838 -0.295 2
1 594 . 1 1 A 72 72 LYS C C 54 178.216 177.804 0.412 2
1 595 . 1 1 A 72 72 LYS CA C 54 59.475 58.867 0.608 2
1 596 . 1 1 A 72 72 LYS CB C 54 32.400 31.897 0.503 2
1 600 . 1 1 A 72 72 LYS N N 54 120.512 118.113 2.399 2
1 601 . 1 1 A 73 73 ILE H H 55 7.265 7.265 0.000 2
1 602 . 1 1 A 73 73 ILE HA H 55 4.327 4.066 0.261 2
1 610 . 1 1 A 73 73 ILE CA C 55 60.625 61.238 -0.613 2
1 611 . 1 1 A 73 73 ILE CB C 55 38.244 38.410 -0.166 2
1 614 . 1 1 A 73 73 ILE N N 55 109.032 115.508 -6.476 2
1 615 . 1 1 A 74 74 ASN HA H 56 4.225 4.326 -0.101 2
1 620 . 1 1 A 74 74 ASN C C 56 174.532 174.427 0.105 2
1 621 . 1 1 A 74 74 ASN CA C 56 53.853 54.196 -0.343 2
1 622 . 1 1 A 74 74 ASN CB C 56 37.027 36.750 0.277 2
1 624 . 1 1 A 75 75 ALA H H 57 7.653 7.674 -0.021 2
1 625 . 1 1 A 75 75 ALA HA H 57 4.126 4.388 -0.262 2
1 629 . 1 1 A 75 75 ALA C C 57 177.848 177.080 0.768 2
1 630 . 1 1 A 75 75 ALA CA C 57 51.969 51.784 0.185 2
1 631 . 1 1 A 75 75 ALA CB C 57 20.500 20.200 0.300 2
1 632 . 1 1 A 75 75 ALA N N 57 119.216 119.455 -0.239 2
1 633 . 1 1 A 76 76 LYS H H 58 8.612 8.562 0.050 2
1 634 . 1 1 A 76 76 LYS HA H 58 3.999 4.370 -0.371 2
1 643 . 1 1 A 76 76 LYS C C 58 176.142 175.843 0.299 2
1 644 . 1 1 A 76 76 LYS CA C 58 58.220 56.455 1.765 2
1 645 . 1 1 A 76 76 LYS CB C 58 32.673 32.399 0.274 2
1 649 . 1 1 A 76 76 LYS N N 58 122.696 119.132 3.564 2
1 650 . 1 1 A 77 77 LEU H H 59 8.427 8.769 -0.342 2
1 651 . 1 1 A 77 77 LEU HA H 59 4.954 4.984 -0.030 2
1 661 . 1 1 A 77 77 LEU C C 59 177.712 175.966 1.746 2
1 662 . 1 1 A 77 77 LEU CA C 59 52.843 54.111 -1.268 2
1 663 . 1 1 A 77 77 LEU CB C 59 43.611 43.810 -0.199 2
1 667 . 1 1 A 77 77 LEU N N 59 129.775 126.575 3.200 2
1 668 . 1 1 A 78 78 CYS H H 60 8.573 8.728 -0.155 2
1 669 . 1 1 A 78 78 CYS HA H 60 3.938 4.726 -0.788 2
1 672 . 1 1 A 78 78 CYS C C 60 176.265 173.854 2.411 2
1 673 . 1 1 A 78 78 CYS CA C 60 61.768 58.409 3.359 2
1 674 . 1 1 A 78 78 CYS CB C 60 31.103 27.915 3.188 2
1 675 . 1 1 A 78 78 CYS N N 60 126.244 125.374 0.870 2
1 676 . 1 1 A 79 79 ASP H H 61 8.570 8.086 0.484 2
1 677 . 1 1 A 79 79 ASP HA H 61 4.765 4.866 -0.101 2
1 680 . 1 1 A 79 79 ASP CA C 61 52.464 52.240 0.224 2
1 681 . 1 1 A 79 79 ASP CB C 61 40.598 41.397 -0.799 2
1 682 . 1 1 A 79 79 ASP N N 61 123.037 123.385 -0.348 2
1 683 . 1 1 A 80 80 PRO HA H 62 4.351 4.577 -0.226 2
1 690 . 1 1 A 80 80 PRO C C 62 175.296 176.213 -0.917 2
1 691 . 1 1 A 80 80 PRO CA C 62 63.419 62.888 0.531 2
1 692 . 1 1 A 80 80 PRO CB C 62 31.963 31.789 0.174 2
1 695 . 1 1 A 81 81 HIS H H 63 8.283 8.395 -0.112 2
1 696 . 1 1 A 81 81 HIS HA H 63 4.737 4.900 -0.163 2
1 697 . 1 1 A 81 81 HIS CA C 63 54.272 54.216 0.056 2
1 698 . 1 1 A 81 81 HIS N N 63 122.934 120.973 1.961 2
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