data_10221_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10221
_Entry.PDB_ID 2EOR
_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 7 7 GLY HA2 H 7 3.966 4.157 -0.191 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.966 4.158 -0.192 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.489 172.489 2.000 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.460 44.503 0.957 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.117 8.390 -0.273 1
1 6 . 1 1 1 A 8 8 THR HA H 8 4.307 5.144 -0.837 1
1 11 . 1 1 1 A 8 8 THR C C 8 175.219 173.913 1.306 1
1 12 . 1 1 1 A 8 8 THR CA C 8 61.781 60.821 0.960 1
1 13 . 1 1 1 A 8 8 THR CB C 8 69.794 70.378 -0.584 1
1 15 . 1 1 1 A 8 8 THR N N 8 112.800 114.129 -1.329 1
1 16 . 1 1 1 A 9 9 GLY H H 9 8.403 8.788 -0.385 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 3.961 4.233 -0.272 1
1 18 . 1 1 1 A 9 9 GLY HA3 H 9 3.906 4.234 -0.328 1
1 19 . 1 1 1 A 9 9 GLY C C 9 173.986 172.380 1.606 1
1 20 . 1 1 1 A 9 9 GLY CA C 9 45.291 45.584 -0.293 1
1 21 . 1 1 1 A 9 9 GLY N N 9 110.970 112.136 -1.166 1
1 22 . 1 1 1 A 10 10 GLU H H 10 8.167 8.618 -0.451 1
1 23 . 1 1 1 A 10 10 GLU HA H 10 4.119 5.063 -0.944 1
1 28 . 1 1 1 A 10 10 GLU C C 10 176.245 174.494 1.751 1
1 29 . 1 1 1 A 10 10 GLU CA C 10 56.761 55.371 1.390 1
1 30 . 1 1 1 A 10 10 GLU CB C 10 30.315 33.816 -3.501 1
1 32 . 1 1 1 A 10 10 GLU N N 10 120.318 124.098 -3.780 1
1 33 . 1 1 1 A 11 11 LYS H H 11 8.212 8.484 -0.272 1
1 34 . 1 1 1 A 11 11 LYS HA H 11 4.481 4.861 -0.380 1
1 43 . 1 1 1 A 11 11 LYS C C 11 174.425 176.196 -1.771 1
1 44 . 1 1 1 A 11 11 LYS CA C 11 53.842 53.028 0.814 1
1 45 . 1 1 1 A 11 11 LYS CB C 11 33.027 35.489 -2.462 1
1 49 . 1 1 1 A 11 11 LYS N N 11 121.767 124.768 -3.001 1
1 50 . 1 1 1 A 12 12 PRO HA H 12 4.244 4.355 -0.111 1
1 57 . 1 1 1 A 12 12 PRO C C 12 176.079 175.615 0.464 1
1 58 . 1 1 1 A 12 12 PRO CA C 12 63.283 63.960 -0.677 1
1 59 . 1 1 1 A 12 12 PRO CB C 12 32.187 31.405 0.782 1
1 62 . 1 1 1 A 13 13 TYR H H 13 7.905 7.192 0.713 1
1 63 . 1 1 1 A 13 13 TYR HA H 13 4.586 5.345 -0.759 1
1 70 . 1 1 1 A 13 13 TYR C C 13 174.631 174.422 0.209 1
1 71 . 1 1 1 A 13 13 TYR CA C 13 57.403 56.170 1.233 1
1 72 . 1 1 1 A 13 13 TYR CB C 13 38.592 43.568 -4.976 1
1 77 . 1 1 1 A 13 13 TYR N N 13 118.258 118.783 -0.525 1
1 78 . 1 1 1 A 14 14 ASN H H 14 8.597 9.087 -0.490 1
1 79 . 1 1 1 A 14 14 ASN HA H 14 5.267 5.496 -0.229 1
1 84 . 1 1 1 A 14 14 ASN C C 14 173.616 173.298 0.318 1
1 85 . 1 1 1 A 14 14 ASN CA C 14 52.533 52.644 -0.111 1
1 86 . 1 1 1 A 14 14 ASN CB C 14 41.443 42.592 -1.149 1
1 87 . 1 1 1 A 14 14 ASN N N 14 120.998 117.758 3.240 1
1 89 . 1 1 1 A 15 15 CYS H H 15 9.170 9.037 0.133 1
1 90 . 1 1 1 A 15 15 CYS HA H 15 4.549 4.803 -0.254 1
1 93 . 1 1 1 A 15 15 CYS C C 15 177.267 176.031 1.236 1
1 94 . 1 1 1 A 15 15 CYS CA C 15 59.191 58.146 1.045 1
1 95 . 1 1 1 A 15 15 CYS CB C 15 29.553 29.023 0.530 1
1 96 . 1 1 1 A 15 15 CYS N N 15 124.399 121.630 2.769 1
1 97 . 1 1 1 A 16 16 GLU H H 16 9.526 9.103 0.423 1
1 98 . 1 1 1 A 16 16 GLU HA H 16 4.060 4.380 -0.320 1
1 103 . 1 1 1 A 16 16 GLU C C 16 176.879 176.902 -0.023 1
1 104 . 1 1 1 A 16 16 GLU CA C 16 58.728 57.521 1.207 1
1 105 . 1 1 1 A 16 16 GLU CB C 16 29.577 29.563 0.014 1
1 107 . 1 1 1 A 16 16 GLU N N 16 132.063 127.513 4.550 1
1 108 . 1 1 1 A 17 17 GLU H H 17 8.498 7.941 0.557 1
1 109 . 1 1 1 A 17 17 GLU HA H 17 4.116 4.359 -0.243 1
1 114 . 1 1 1 A 17 17 GLU C C 17 177.307 177.971 -0.664 1
1 115 . 1 1 1 A 17 17 GLU CA C 17 58.495 57.391 1.104 1
1 116 . 1 1 1 A 17 17 GLU CB C 17 29.466 30.528 -1.062 1
1 118 . 1 1 1 A 17 17 GLU N N 17 120.260 117.760 2.500 1
1 119 . 1 1 1 A 18 18 CYS H H 18 7.936 8.127 -0.191 1
1 120 . 1 1 1 A 18 18 CYS HA H 18 5.107 4.703 0.404 1
1 123 . 1 1 1 A 18 18 CYS C C 18 176.297 175.513 0.784 1
1 124 . 1 1 1 A 18 18 CYS CA C 18 58.394 59.672 -1.278 1
1 125 . 1 1 1 A 18 18 CYS CB C 18 32.435 30.041 2.394 1
1 126 . 1 1 1 A 18 18 CYS N N 18 114.580 115.113 -0.533 1
1 127 . 1 1 1 A 19 19 GLY H H 19 8.233 8.164 0.069 1
1 128 . 1 1 1 A 19 19 GLY HA2 H 19 3.818 4.084 -0.266 1
1 129 . 1 1 1 A 19 19 GLY HA3 H 19 4.158 4.097 0.061 1
1 130 . 1 1 1 A 19 19 GLY C C 19 174.201 174.268 -0.067 1
1 131 . 1 1 1 A 19 19 GLY CA C 19 46.129 45.248 0.881 1
1 132 . 1 1 1 A 19 19 GLY N N 19 113.640 110.095 3.545 1
1 133 . 1 1 1 A 20 20 LYS H H 20 7.816 7.808 0.008 1
1 134 . 1 1 1 A 20 20 LYS HA H 20 3.889 4.539 -0.650 1
1 143 . 1 1 1 A 20 20 LYS C C 20 173.338 175.577 -2.239 1
1 144 . 1 1 1 A 20 20 LYS CA C 20 58.071 54.760 3.311 1
1 145 . 1 1 1 A 20 20 LYS CB C 20 33.760 34.577 -0.817 1
1 149 . 1 1 1 A 20 20 LYS N N 20 123.055 121.072 1.983 1
1 150 . 1 1 1 A 21 21 ALA H H 21 7.624 8.695 -1.071 1
1 151 . 1 1 1 A 21 21 ALA HA H 21 5.029 4.807 0.222 1
1 155 . 1 1 1 A 21 21 ALA C C 21 176.478 176.769 -0.291 1
1 156 . 1 1 1 A 21 21 ALA CA C 21 50.590 51.752 -1.162 1
1 157 . 1 1 1 A 21 21 ALA CB C 21 22.409 20.236 2.173 1
1 158 . 1 1 1 A 21 21 ALA N N 21 123.757 129.399 -5.642 1
1 159 . 1 1 1 A 22 22 PHE H H 22 8.570 9.059 -0.489 1
1 160 . 1 1 1 A 22 22 PHE HA H 22 4.696 4.897 -0.201 1
1 168 . 1 1 1 A 22 22 PHE C C 22 175.081 175.850 -0.769 1
1 169 . 1 1 1 A 22 22 PHE CA C 22 57.093 56.400 0.693 1
1 170 . 1 1 1 A 22 22 PHE CB C 22 43.428 42.645 0.783 1
1 176 . 1 1 1 A 22 22 PHE N N 22 116.997 117.576 -0.579 1
1 177 . 1 1 1 A 23 23 ILE H H 23 8.544 8.693 -0.149 1
1 178 . 1 1 1 A 23 23 ILE HA H 23 4.150 4.107 0.043 1
1 188 . 1 1 1 A 23 23 ILE C C 23 175.250 176.408 -1.158 1
1 189 . 1 1 1 A 23 23 ILE CA C 23 63.146 62.914 0.232 1
1 190 . 1 1 1 A 23 23 ILE CB C 23 38.976 38.768 0.208 1
1 194 . 1 1 1 A 23 23 ILE N N 23 118.524 122.355 -3.831 1
1 195 . 1 1 1 A 24 24 HIS H H 24 7.481 8.002 -0.521 1
1 196 . 1 1 1 A 24 24 HIS HA H 24 4.930 5.106 -0.176 1
1 201 . 1 1 1 A 24 24 HIS C C 24 175.914 174.628 1.286 1
1 202 . 1 1 1 A 24 24 HIS CA C 24 54.508 54.693 -0.185 1
1 203 . 1 1 1 A 24 24 HIS CB C 24 34.064 33.449 0.615 1
1 206 . 1 1 1 A 24 24 HIS N N 24 115.184 117.936 -2.752 1
1 207 . 1 1 1 A 25 25 ASP H H 25 8.313 8.557 -0.244 1
1 208 . 1 1 1 A 25 25 ASP HA H 25 3.499 3.143 0.356 1
1 210 . 1 1 1 A 25 25 ASP C C 25 178.409 177.436 0.973 1
1 211 . 1 1 1 A 25 25 ASP CA C 25 56.851 56.166 0.685 1
1 212 . 1 1 1 A 25 25 ASP CB C 25 40.476 40.542 -0.066 1
1 213 . 1 1 1 A 25 25 ASP N N 25 126.437 121.795 4.642 1
1 214 . 1 1 1 A 26 26 SER H H 26 8.942 8.440 0.502 1
1 215 . 1 1 1 A 26 26 SER HA H 26 3.891 4.190 -0.299 1
1 218 . 1 1 1 A 26 26 SER C C 26 177.293 176.958 0.335 1
1 219 . 1 1 1 A 26 26 SER CA C 26 61.240 61.793 -0.553 1
1 220 . 1 1 1 A 26 26 SER CB C 26 61.426 62.750 -1.324 1
1 221 . 1 1 1 A 26 26 SER N N 26 114.987 113.593 1.394 1
1 222 . 1 1 1 A 27 27 GLN H H 27 6.908 8.025 -1.117 1
1 223 . 1 1 1 A 27 27 GLN HA H 27 3.996 4.052 -0.056 1
1 230 . 1 1 1 A 27 27 GLN C C 27 178.844 178.107 0.737 1
1 231 . 1 1 1 A 27 27 GLN CA C 27 57.699 58.962 -1.263 1
1 232 . 1 1 1 A 27 27 GLN CB C 27 28.809 28.561 0.248 1
1 234 . 1 1 1 A 27 27 GLN N N 27 120.797 121.714 -0.917 1
1 236 . 1 1 1 A 28 28 LEU H H 28 6.989 7.668 -0.679 1
1 237 . 1 1 1 A 28 28 LEU HA H 28 3.192 1.727 1.465 1
1 247 . 1 1 1 A 28 28 LEU C C 28 177.795 178.473 -0.678 1
1 248 . 1 1 1 A 28 28 LEU CA C 28 57.807 57.032 0.775 1
1 249 . 1 1 1 A 28 28 LEU CB C 28 40.185 41.168 -0.983 1
1 253 . 1 1 1 A 28 28 LEU N N 28 122.387 121.142 1.245 1
1 254 . 1 1 1 A 29 29 GLN H H 29 8.345 8.310 0.035 1
1 255 . 1 1 1 A 29 29 GLN HA H 29 3.923 3.798 0.125 1
1 262 . 1 1 1 A 29 29 GLN C C 29 179.092 178.467 0.625 1
1 263 . 1 1 1 A 29 29 GLN CA C 29 58.757 59.068 -0.311 1
1 264 . 1 1 1 A 29 29 GLN CB C 29 27.751 27.947 -0.196 1
1 266 . 1 1 1 A 29 29 GLN N N 29 117.492 117.566 -0.074 1
1 268 . 1 1 1 A 30 30 GLU H H 30 7.420 7.966 -0.546 1
1 269 . 1 1 1 A 30 30 GLU HA H 30 3.885 4.085 -0.200 1
1 274 . 1 1 1 A 30 30 GLU C C 30 178.747 178.584 0.163 1
1 275 . 1 1 1 A 30 30 GLU CA C 30 58.958 58.446 0.512 1
1 276 . 1 1 1 A 30 30 GLU CB C 30 29.563 29.531 0.032 1
1 278 . 1 1 1 A 30 30 GLU N N 30 118.075 119.190 -1.115 1
1 279 . 1 1 1 A 31 31 HIS H H 31 7.602 8.227 -0.625 1
1 280 . 1 1 1 A 31 31 HIS HA H 31 4.116 4.399 -0.283 1
1 285 . 1 1 1 A 31 31 HIS C C 31 176.263 177.005 -0.742 1
1 286 . 1 1 1 A 31 31 HIS CA C 31 59.038 58.413 0.625 1
1 287 . 1 1 1 A 31 31 HIS CB C 31 28.559 30.694 -2.135 1
1 290 . 1 1 1 A 31 31 HIS N N 31 119.104 119.860 -0.756 1
1 291 . 1 1 1 A 32 32 GLN H H 32 8.297 8.570 -0.273 1
1 292 . 1 1 1 A 32 32 GLN HA H 32 3.646 3.823 -0.177 1
1 299 . 1 1 1 A 32 32 GLN C C 32 177.393 178.379 -0.986 1
1 300 . 1 1 1 A 32 32 GLN CA C 32 59.179 59.083 0.096 1
1 301 . 1 1 1 A 32 32 GLN CB C 32 28.076 28.186 -0.110 1
1 303 . 1 1 1 A 32 32 GLN N N 32 115.048 118.148 -3.100 1
1 305 . 1 1 1 A 33 33 ARG H H 33 7.093 7.694 -0.601 1
1 306 . 1 1 1 A 33 33 ARG HA H 33 4.062 4.032 0.030 1
1 313 . 1 1 1 A 33 33 ARG C C 33 178.632 177.729 0.903 1
1 314 . 1 1 1 A 33 33 ARG CA C 33 58.740 58.584 0.156 1
1 315 . 1 1 1 A 33 33 ARG CB C 33 30.018 29.907 0.111 1
1 318 . 1 1 1 A 33 33 ARG N N 33 117.429 117.945 -0.516 1
1 319 . 1 1 1 A 34 34 ILE H H 34 7.742 7.789 -0.047 1
1 320 . 1 1 1 A 34 34 ILE HA H 34 3.907 3.727 0.180 1
1 330 . 1 1 1 A 34 34 ILE C C 34 177.477 178.129 -0.652 1
1 331 . 1 1 1 A 34 34 ILE CA C 34 62.981 64.073 -1.092 1
1 332 . 1 1 1 A 34 34 ILE CB C 34 37.561 37.141 0.420 1
1 336 . 1 1 1 A 34 34 ILE N N 34 116.287 116.230 0.057 1
1 337 . 1 1 1 A 35 35 HIS H H 35 7.154 7.344 -0.190 1
1 338 . 1 1 1 A 35 35 HIS HA H 35 4.820 4.384 0.436 1
1 343 . 1 1 1 A 35 35 HIS C C 35 175.945 178.217 -2.272 1
1 344 . 1 1 1 A 35 35 HIS CA C 35 55.340 59.787 -4.447 1
1 345 . 1 1 1 A 35 35 HIS CB C 35 28.562 30.180 -1.618 1
1 348 . 1 1 1 A 35 35 HIS N N 35 117.832 121.171 -3.339 1
1 349 . 1 1 1 A 36 36 THR H H 36 7.768 8.011 -0.243 1
1 350 . 1 1 1 A 36 36 THR HA H 36 4.280 4.066 0.214 1
1 355 . 1 1 1 A 36 36 THR C C 36 175.527 176.062 -0.535 1
1 356 . 1 1 1 A 36 36 THR CA C 36 62.599 65.264 -2.665 1
1 357 . 1 1 1 A 36 36 THR CB C 36 69.779 68.338 1.441 1
1 359 . 1 1 1 A 36 36 THR N N 36 111.677 113.286 -1.609 1
1 360 . 1 1 1 A 37 37 GLY H H 37 8.154 7.434 0.720 1
1 361 . 1 1 1 A 37 37 GLY HA2 H 37 3.961 4.032 -0.071 1
1 362 . 1 1 1 A 37 37 GLY HA3 H 37 3.903 4.041 -0.138 1
1 363 . 1 1 1 A 37 37 GLY C C 37 174.033 172.613 1.420 1
1 364 . 1 1 1 A 37 37 GLY CA C 37 45.278 44.321 0.957 1
1 365 . 1 1 1 A 37 37 GLY N N 37 110.498 111.003 -0.505 1
1 366 . 1 1 1 A 38 38 GLU H H 38 8.043 8.357 -0.314 1
1 367 . 1 1 1 A 38 38 GLU HA H 38 4.178 4.577 -0.399 1
1 372 . 1 1 1 A 38 38 GLU C C 38 176.163 175.805 0.358 1
1 373 . 1 1 1 A 38 38 GLU CA C 38 56.461 55.208 1.253 1
1 374 . 1 1 1 A 38 38 GLU CB C 38 30.437 30.444 -0.007 1
1 376 . 1 1 1 A 38 38 GLU N N 38 120.528 122.509 -1.981 1
1 377 . 1 1 1 A 39 39 LYS H H 39 8.342 8.491 -0.149 1
1 378 . 1 1 1 A 39 39 LYS HA H 39 4.549 4.257 0.292 1
1 387 . 1 1 1 A 39 39 LYS C C 39 174.171 176.234 -2.063 1
1 388 . 1 1 1 A 39 39 LYS CA C 39 54.043 55.405 -1.362 1
1 389 . 1 1 1 A 39 39 LYS CB C 39 32.451 32.614 -0.163 1
1 393 . 1 1 1 A 39 39 LYS N N 39 123.761 125.823 -2.062 1
1 394 . 1 1 1 A 40 40 PRO HA H 40 4.405 4.598 -0.193 1
1 401 . 1 1 1 A 40 40 PRO CA C 40 63.060 62.258 0.802 1
1 402 . 1 1 1 A 40 40 PRO CB C 40 32.128 33.294 -1.166 1
1 405 . 1 1 1 A 41 41 SER H H 41 8.479 8.393 0.086 1
1 406 . 1 1 1 A 41 41 SER HA H 41 4.398 5.164 -0.766 1
1 409 . 1 1 1 A 41 41 SER CA C 41 58.288 57.118 1.170 1
1 410 . 1 1 1 A 41 41 SER CB C 41 63.893 63.912 -0.019 1
1 411 . 1 1 1 A 41 41 SER N N 41 116.629 114.356 2.273 1
1 412 . 1 1 1 A 42 42 GLY HA2 H 42 4.040 4.010 0.030 1
1 413 . 1 1 1 A 42 42 GLY HA3 H 42 4.105 4.011 0.094 1
1 414 . 1 1 1 A 42 42 GLY CA C 42 44.637 45.704 -1.067 1
1 415 . 1 1 1 A 43 43 PRO HA H 43 4.407 4.417 -0.010 1
1 422 . 1 1 1 A 43 43 PRO CA C 43 63.220 63.974 -0.754 1
1 423 . 1 1 1 A 43 43 PRO CB C 43 32.207 31.586 0.621 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.966 4.090 -0.124 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.966 4.091 -0.125 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.489 171.720 2.769 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.460 43.992 1.468 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.117 8.532 -0.415 1
1 6 . 2 1 1 A 8 8 THR HA H 8 4.307 4.840 -0.533 1
1 11 . 2 1 1 A 8 8 THR C C 8 175.219 174.168 1.051 1
1 12 . 2 1 1 A 8 8 THR CA C 8 61.781 59.897 1.884 1
1 13 . 2 1 1 A 8 8 THR CB C 8 69.794 71.104 -1.310 1
1 15 . 2 1 1 A 8 8 THR N N 8 112.800 117.716 -4.916 1
1 16 . 2 1 1 A 9 9 GLY H H 9 8.403 8.687 -0.284 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 3.961 4.059 -0.098 1
1 18 . 2 1 1 A 9 9 GLY HA3 H 9 3.906 4.062 -0.156 1
1 19 . 2 1 1 A 9 9 GLY C C 9 173.986 174.349 -0.363 1
1 20 . 2 1 1 A 9 9 GLY CA C 9 45.291 44.811 0.480 1
1 21 . 2 1 1 A 9 9 GLY N N 9 110.970 117.466 -6.496 1
1 22 . 2 1 1 A 10 10 GLU H H 10 8.167 8.731 -0.564 1
1 23 . 2 1 1 A 10 10 GLU HA H 10 4.119 4.580 -0.461 1
1 28 . 2 1 1 A 10 10 GLU C C 10 176.245 176.446 -0.201 1
1 29 . 2 1 1 A 10 10 GLU CA C 10 56.761 55.822 0.939 1
1 30 . 2 1 1 A 10 10 GLU CB C 10 30.315 30.714 -0.399 1
1 32 . 2 1 1 A 10 10 GLU N N 10 120.318 119.173 1.145 1
1 33 . 2 1 1 A 11 11 LYS H H 11 8.212 7.248 0.964 1
1 34 . 2 1 1 A 11 11 LYS HA H 11 4.481 4.311 0.170 1
1 43 . 2 1 1 A 11 11 LYS C C 11 174.425 176.455 -2.030 1
1 44 . 2 1 1 A 11 11 LYS CA C 11 53.842 55.355 -1.513 1
1 45 . 2 1 1 A 11 11 LYS CB C 11 33.027 32.027 1.000 1
1 49 . 2 1 1 A 11 11 LYS N N 11 121.767 121.583 0.184 1
1 50 . 2 1 1 A 12 12 PRO HA H 12 4.244 4.337 -0.093 1
1 57 . 2 1 1 A 12 12 PRO C C 12 176.079 175.596 0.483 1
1 58 . 2 1 1 A 12 12 PRO CA C 12 63.283 63.942 -0.659 1
1 59 . 2 1 1 A 12 12 PRO CB C 12 32.187 31.599 0.588 1
1 62 . 2 1 1 A 13 13 TYR H H 13 7.905 7.231 0.674 1
1 63 . 2 1 1 A 13 13 TYR HA H 13 4.586 5.347 -0.761 1
1 70 . 2 1 1 A 13 13 TYR C C 13 174.631 174.437 0.194 1
1 71 . 2 1 1 A 13 13 TYR CA C 13 57.403 56.285 1.118 1
1 72 . 2 1 1 A 13 13 TYR CB C 13 38.592 43.448 -4.856 1
1 77 . 2 1 1 A 13 13 TYR N N 13 118.258 118.835 -0.577 1
1 78 . 2 1 1 A 14 14 ASN H H 14 8.597 9.038 -0.441 1
1 79 . 2 1 1 A 14 14 ASN HA H 14 5.267 5.795 -0.528 1
1 84 . 2 1 1 A 14 14 ASN C C 14 173.616 173.780 -0.164 1
1 85 . 2 1 1 A 14 14 ASN CA C 14 52.533 52.511 0.022 1
1 86 . 2 1 1 A 14 14 ASN CB C 14 41.443 42.693 -1.250 1
1 87 . 2 1 1 A 14 14 ASN N N 14 120.998 117.814 3.184 1
1 89 . 2 1 1 A 15 15 CYS H H 15 9.170 9.133 0.037 1
1 90 . 2 1 1 A 15 15 CYS HA H 15 4.549 4.705 -0.156 1
1 93 . 2 1 1 A 15 15 CYS C C 15 177.267 176.127 1.140 1
1 94 . 2 1 1 A 15 15 CYS CA C 15 59.191 59.100 0.091 1
1 95 . 2 1 1 A 15 15 CYS CB C 15 29.553 28.288 1.265 1
1 96 . 2 1 1 A 15 15 CYS N N 15 124.399 122.454 1.945 1
1 97 . 2 1 1 A 16 16 GLU H H 16 9.526 9.140 0.386 1
1 98 . 2 1 1 A 16 16 GLU HA H 16 4.060 4.622 -0.562 1
1 103 . 2 1 1 A 16 16 GLU C C 16 176.879 177.468 -0.589 1
1 104 . 2 1 1 A 16 16 GLU CA C 16 58.728 56.305 2.423 1
1 105 . 2 1 1 A 16 16 GLU CB C 16 29.577 29.922 -0.345 1
1 107 . 2 1 1 A 16 16 GLU N N 16 132.063 128.161 3.902 1
1 108 . 2 1 1 A 17 17 GLU H H 17 8.498 8.014 0.484 1
1 109 . 2 1 1 A 17 17 GLU HA H 17 4.116 4.361 -0.245 1
1 114 . 2 1 1 A 17 17 GLU C C 17 177.307 177.853 -0.546 1
1 115 . 2 1 1 A 17 17 GLU CA C 17 58.495 57.226 1.269 1
1 116 . 2 1 1 A 17 17 GLU CB C 17 29.466 30.353 -0.887 1
1 118 . 2 1 1 A 17 17 GLU N N 17 120.260 120.117 0.143 1
1 119 . 2 1 1 A 18 18 CYS H H 18 7.936 8.130 -0.194 1
1 120 . 2 1 1 A 18 18 CYS HA H 18 5.107 4.734 0.373 1
1 123 . 2 1 1 A 18 18 CYS C C 18 176.297 175.471 0.826 1
1 124 . 2 1 1 A 18 18 CYS CA C 18 58.394 59.768 -1.374 1
1 125 . 2 1 1 A 18 18 CYS CB C 18 32.435 29.927 2.508 1
1 126 . 2 1 1 A 18 18 CYS N N 18 114.580 115.286 -0.706 1
1 127 . 2 1 1 A 19 19 GLY H H 19 8.233 8.152 0.081 1
1 128 . 2 1 1 A 19 19 GLY HA2 H 19 3.818 4.077 -0.259 1
1 129 . 2 1 1 A 19 19 GLY HA3 H 19 4.158 4.083 0.075 1
1 130 . 2 1 1 A 19 19 GLY C C 19 174.201 174.311 -0.110 1
1 131 . 2 1 1 A 19 19 GLY CA C 19 46.129 45.387 0.742 1
1 132 . 2 1 1 A 19 19 GLY N N 19 113.640 109.911 3.729 1
1 133 . 2 1 1 A 20 20 LYS H H 20 7.816 7.753 0.063 1
1 134 . 2 1 1 A 20 20 LYS HA H 20 3.889 4.732 -0.843 1
1 143 . 2 1 1 A 20 20 LYS C C 20 173.338 174.811 -1.473 1
1 144 . 2 1 1 A 20 20 LYS CA C 20 58.071 54.714 3.357 1
1 145 . 2 1 1 A 20 20 LYS CB C 20 33.760 35.392 -1.632 1
1 149 . 2 1 1 A 20 20 LYS N N 20 123.055 120.669 2.386 1
1 150 . 2 1 1 A 21 21 ALA H H 21 7.624 8.392 -0.768 1
1 151 . 2 1 1 A 21 21 ALA HA H 21 5.029 5.700 -0.671 1
1 155 . 2 1 1 A 21 21 ALA C C 21 176.478 175.432 1.046 1
1 156 . 2 1 1 A 21 21 ALA CA C 21 50.590 49.954 0.636 1
1 157 . 2 1 1 A 21 21 ALA CB C 21 22.409 22.876 -0.467 1
1 158 . 2 1 1 A 21 21 ALA N N 21 123.757 124.344 -0.587 1
1 159 . 2 1 1 A 22 22 PHE H H 22 8.570 8.893 -0.323 1
1 160 . 2 1 1 A 22 22 PHE HA H 22 4.696 4.834 -0.138 1
1 168 . 2 1 1 A 22 22 PHE C C 22 175.081 175.593 -0.512 1
1 169 . 2 1 1 A 22 22 PHE CA C 22 57.093 56.467 0.626 1
1 170 . 2 1 1 A 22 22 PHE CB C 22 43.428 42.916 0.512 1
1 176 . 2 1 1 A 22 22 PHE N N 22 116.997 115.604 1.393 1
1 177 . 2 1 1 A 23 23 ILE H H 23 8.544 8.596 -0.052 1
1 178 . 2 1 1 A 23 23 ILE HA H 23 4.150 4.105 0.045 1
1 188 . 2 1 1 A 23 23 ILE C C 23 175.250 176.364 -1.114 1
1 189 . 2 1 1 A 23 23 ILE CA C 23 63.146 62.909 0.237 1
1 190 . 2 1 1 A 23 23 ILE CB C 23 38.976 38.812 0.164 1
1 194 . 2 1 1 A 23 23 ILE N N 23 118.524 122.398 -3.874 1
1 195 . 2 1 1 A 24 24 HIS H H 24 7.481 8.097 -0.616 1
1 196 . 2 1 1 A 24 24 HIS HA H 24 4.930 4.972 -0.042 1
1 201 . 2 1 1 A 24 24 HIS C C 24 175.914 174.864 1.050 1
1 202 . 2 1 1 A 24 24 HIS CA C 24 54.508 54.271 0.237 1
1 203 . 2 1 1 A 24 24 HIS CB C 24 34.064 32.313 1.751 1
1 206 . 2 1 1 A 24 24 HIS N N 24 115.184 118.098 -2.914 1
1 207 . 2 1 1 A 25 25 ASP H H 25 8.313 8.778 -0.465 1
1 208 . 2 1 1 A 25 25 ASP HA H 25 3.499 3.242 0.257 1
1 210 . 2 1 1 A 25 25 ASP C C 25 178.409 177.769 0.640 1
1 211 . 2 1 1 A 25 25 ASP CA C 25 56.851 57.322 -0.471 1
1 212 . 2 1 1 A 25 25 ASP CB C 25 40.476 40.927 -0.451 1
1 213 . 2 1 1 A 25 25 ASP N N 25 126.437 123.116 3.321 1
1 214 . 2 1 1 A 26 26 SER H H 26 8.942 8.336 0.606 1
1 215 . 2 1 1 A 26 26 SER HA H 26 3.891 4.197 -0.306 1
1 218 . 2 1 1 A 26 26 SER C C 26 177.293 176.980 0.313 1
1 219 . 2 1 1 A 26 26 SER CA C 26 61.240 61.770 -0.530 1
1 220 . 2 1 1 A 26 26 SER CB C 26 61.426 62.784 -1.358 1
1 221 . 2 1 1 A 26 26 SER N N 26 114.987 113.300 1.687 1
1 222 . 2 1 1 A 27 27 GLN H H 27 6.908 8.042 -1.134 1
1 223 . 2 1 1 A 27 27 GLN HA H 27 3.996 4.048 -0.052 1
1 230 . 2 1 1 A 27 27 GLN C C 27 178.844 177.967 0.877 1
1 231 . 2 1 1 A 27 27 GLN CA C 27 57.699 58.952 -1.253 1
1 232 . 2 1 1 A 27 27 GLN CB C 27 28.809 28.535 0.274 1
1 234 . 2 1 1 A 27 27 GLN N N 27 120.797 121.657 -0.860 1
1 236 . 2 1 1 A 28 28 LEU H H 28 6.989 7.620 -0.631 1
1 237 . 2 1 1 A 28 28 LEU HA H 28 3.192 1.732 1.460 1
1 247 . 2 1 1 A 28 28 LEU C C 28 177.795 178.265 -0.470 1
1 248 . 2 1 1 A 28 28 LEU CA C 28 57.807 57.228 0.579 1
1 249 . 2 1 1 A 28 28 LEU CB C 28 40.185 41.080 -0.895 1
1 253 . 2 1 1 A 28 28 LEU N N 28 122.387 121.190 1.197 1
1 254 . 2 1 1 A 29 29 GLN H H 29 8.345 8.364 -0.019 1
1 255 . 2 1 1 A 29 29 GLN HA H 29 3.923 3.833 0.090 1
1 262 . 2 1 1 A 29 29 GLN C C 29 179.092 178.459 0.633 1
1 263 . 2 1 1 A 29 29 GLN CA C 29 58.757 59.136 -0.379 1
1 264 . 2 1 1 A 29 29 GLN CB C 29 27.751 28.302 -0.551 1
1 266 . 2 1 1 A 29 29 GLN N N 29 117.492 117.712 -0.220 1
1 268 . 2 1 1 A 30 30 GLU H H 30 7.420 8.196 -0.776 1
1 269 . 2 1 1 A 30 30 GLU HA H 30 3.885 4.052 -0.167 1
1 274 . 2 1 1 A 30 30 GLU C C 30 178.747 178.854 -0.107 1
1 275 . 2 1 1 A 30 30 GLU CA C 30 58.958 58.963 -0.005 1
1 276 . 2 1 1 A 30 30 GLU CB C 30 29.563 29.625 -0.062 1
1 278 . 2 1 1 A 30 30 GLU N N 30 118.075 119.581 -1.506 1
1 279 . 2 1 1 A 31 31 HIS H H 31 7.602 8.030 -0.428 1
1 280 . 2 1 1 A 31 31 HIS HA H 31 4.116 4.256 -0.140 1
1 285 . 2 1 1 A 31 31 HIS C C 31 176.263 177.062 -0.799 1
1 286 . 2 1 1 A 31 31 HIS CA C 31 59.038 58.762 0.276 1
1 287 . 2 1 1 A 31 31 HIS CB C 31 28.559 30.130 -1.571 1
1 290 . 2 1 1 A 31 31 HIS N N 31 119.104 119.881 -0.777 1
1 291 . 2 1 1 A 32 32 GLN H H 32 8.297 8.446 -0.149 1
1 292 . 2 1 1 A 32 32 GLN HA H 32 3.646 3.990 -0.344 1
1 299 . 2 1 1 A 32 32 GLN C C 32 177.393 178.753 -1.360 1
1 300 . 2 1 1 A 32 32 GLN CA C 32 59.179 59.265 -0.086 1
1 301 . 2 1 1 A 32 32 GLN CB C 32 28.076 28.289 -0.213 1
1 303 . 2 1 1 A 32 32 GLN N N 32 115.048 117.556 -2.508 1
1 305 . 2 1 1 A 33 33 ARG H H 33 7.093 7.602 -0.509 1
1 306 . 2 1 1 A 33 33 ARG HA H 33 4.062 3.958 0.104 1
1 313 . 2 1 1 A 33 33 ARG C C 33 178.632 178.867 -0.235 1
1 314 . 2 1 1 A 33 33 ARG CA C 33 58.740 58.887 -0.147 1
1 315 . 2 1 1 A 33 33 ARG CB C 33 30.018 29.870 0.148 1
1 318 . 2 1 1 A 33 33 ARG N N 33 117.429 119.981 -2.552 1
1 319 . 2 1 1 A 34 34 ILE H H 34 7.742 7.952 -0.210 1
1 320 . 2 1 1 A 34 34 ILE HA H 34 3.907 3.705 0.202 1
1 330 . 2 1 1 A 34 34 ILE C C 34 177.477 177.476 0.001 1
1 331 . 2 1 1 A 34 34 ILE CA C 34 62.981 63.710 -0.729 1
1 332 . 2 1 1 A 34 34 ILE CB C 34 37.561 37.202 0.359 1
1 336 . 2 1 1 A 34 34 ILE N N 34 116.287 117.832 -1.545 1
1 337 . 2 1 1 A 35 35 HIS H H 35 7.154 7.591 -0.437 1
1 338 . 2 1 1 A 35 35 HIS HA H 35 4.820 4.436 0.384 1
1 343 . 2 1 1 A 35 35 HIS C C 35 175.945 178.244 -2.299 1
1 344 . 2 1 1 A 35 35 HIS CA C 35 55.340 59.337 -3.997 1
1 345 . 2 1 1 A 35 35 HIS CB C 35 28.562 30.575 -2.013 1
1 348 . 2 1 1 A 35 35 HIS N N 35 117.832 120.990 -3.158 1
1 349 . 2 1 1 A 36 36 THR H H 36 7.768 8.272 -0.504 1
1 350 . 2 1 1 A 36 36 THR HA H 36 4.280 4.091 0.189 1
1 355 . 2 1 1 A 36 36 THR C C 36 175.527 175.539 -0.012 1
1 356 . 2 1 1 A 36 36 THR CA C 36 62.599 65.186 -2.587 1
1 357 . 2 1 1 A 36 36 THR CB C 36 69.779 68.138 1.641 1
1 359 . 2 1 1 A 36 36 THR N N 36 111.677 113.476 -1.799 1
1 360 . 2 1 1 A 37 37 GLY H H 37 8.154 8.107 0.047 1
1 361 . 2 1 1 A 37 37 GLY HA2 H 37 3.961 3.808 0.153 1
1 362 . 2 1 1 A 37 37 GLY HA3 H 37 3.903 3.818 0.085 1
1 363 . 2 1 1 A 37 37 GLY C C 37 174.033 172.622 1.411 1
1 364 . 2 1 1 A 37 37 GLY CA C 37 45.278 45.957 -0.679 1
1 365 . 2 1 1 A 37 37 GLY N N 37 110.498 109.513 0.985 1
1 366 . 2 1 1 A 38 38 GLU H H 38 8.043 8.908 -0.865 1
1 367 . 2 1 1 A 38 38 GLU HA H 38 4.178 5.021 -0.843 1
1 372 . 2 1 1 A 38 38 GLU C C 38 176.163 175.317 0.846 1
1 373 . 2 1 1 A 38 38 GLU CA C 38 56.461 54.868 1.593 1
1 374 . 2 1 1 A 38 38 GLU CB C 38 30.437 33.213 -2.776 1
1 376 . 2 1 1 A 38 38 GLU N N 38 120.528 124.949 -4.421 1
1 377 . 2 1 1 A 39 39 LYS H H 39 8.342 8.423 -0.081 1
1 378 . 2 1 1 A 39 39 LYS HA H 39 4.549 4.449 0.100 1
1 387 . 2 1 1 A 39 39 LYS C C 39 174.171 175.534 -1.363 1
1 388 . 2 1 1 A 39 39 LYS CA C 39 54.043 54.320 -0.277 1
1 389 . 2 1 1 A 39 39 LYS CB C 39 32.451 32.982 -0.531 1
1 393 . 2 1 1 A 39 39 LYS N N 39 123.761 127.951 -4.190 1
1 394 . 2 1 1 A 40 40 PRO HA H 40 4.405 4.608 -0.203 1
1 401 . 2 1 1 A 40 40 PRO CA C 40 63.060 62.369 0.691 1
1 402 . 2 1 1 A 40 40 PRO CB C 40 32.128 33.243 -1.115 1
1 405 . 2 1 1 A 41 41 SER H H 41 8.479 8.544 -0.065 1
1 406 . 2 1 1 A 41 41 SER HA H 41 4.398 4.552 -0.154 1
1 409 . 2 1 1 A 41 41 SER CA C 41 58.288 57.688 0.600 1
1 410 . 2 1 1 A 41 41 SER CB C 41 63.893 62.957 0.936 1
1 411 . 2 1 1 A 41 41 SER N N 41 116.629 113.077 3.552 1
1 412 . 2 1 1 A 42 42 GLY HA2 H 42 4.040 4.054 -0.014 1
1 413 . 2 1 1 A 42 42 GLY HA3 H 42 4.105 4.054 0.051 1
1 414 . 2 1 1 A 42 42 GLY CA C 42 44.637 45.955 -1.318 1
1 415 . 2 1 1 A 43 43 PRO HA H 43 4.407 4.650 -0.243 1
1 422 . 2 1 1 A 43 43 PRO CA C 43 63.220 62.469 0.751 1
1 423 . 2 1 1 A 43 43 PRO CB C 43 32.207 33.508 -1.301 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.966 4.260 -0.294 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.966 4.261 -0.295 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.489 172.961 1.528 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.460 45.352 0.108 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.117 8.564 -0.447 1
1 6 . 3 1 1 A 8 8 THR HA H 8 4.307 4.155 0.152 1
1 11 . 3 1 1 A 8 8 THR C C 8 175.219 174.721 0.498 1
1 12 . 3 1 1 A 8 8 THR CA C 8 61.781 64.153 -2.372 1
1 13 . 3 1 1 A 8 8 THR CB C 8 69.794 68.935 0.859 1
1 15 . 3 1 1 A 8 8 THR N N 8 112.800 116.478 -3.678 1
1 16 . 3 1 1 A 9 9 GLY H H 9 8.403 8.596 -0.193 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 3.961 4.181 -0.220 1
1 18 . 3 1 1 A 9 9 GLY HA3 H 9 3.906 4.182 -0.276 1
1 19 . 3 1 1 A 9 9 GLY C C 9 173.986 171.946 2.040 1
1 20 . 3 1 1 A 9 9 GLY CA C 9 45.291 44.553 0.738 1
1 21 . 3 1 1 A 9 9 GLY N N 9 110.970 111.347 -0.377 1
1 22 . 3 1 1 A 10 10 GLU H H 10 8.167 8.559 -0.392 1
1 23 . 3 1 1 A 10 10 GLU HA H 10 4.119 4.965 -0.846 1
1 28 . 3 1 1 A 10 10 GLU C C 10 176.245 174.334 1.911 1
1 29 . 3 1 1 A 10 10 GLU CA C 10 56.761 55.262 1.499 1
1 30 . 3 1 1 A 10 10 GLU CB C 10 30.315 34.004 -3.689 1
1 32 . 3 1 1 A 10 10 GLU N N 10 120.318 121.864 -1.546 1
1 33 . 3 1 1 A 11 11 LYS H H 11 8.212 8.657 -0.445 1
1 34 . 3 1 1 A 11 11 LYS HA H 11 4.481 5.006 -0.525 1
1 43 . 3 1 1 A 11 11 LYS C C 11 174.425 175.531 -1.106 1
1 44 . 3 1 1 A 11 11 LYS CA C 11 53.842 53.140 0.702 1
1 45 . 3 1 1 A 11 11 LYS CB C 11 33.027 33.331 -0.304 1
1 49 . 3 1 1 A 11 11 LYS N N 11 121.767 126.279 -4.512 1
1 50 . 3 1 1 A 12 12 PRO HA H 12 4.244 4.393 -0.149 1
1 57 . 3 1 1 A 12 12 PRO C C 12 176.079 175.641 0.438 1
1 58 . 3 1 1 A 12 12 PRO CA C 12 63.283 63.900 -0.617 1
1 59 . 3 1 1 A 12 12 PRO CB C 12 32.187 31.392 0.795 1
1 62 . 3 1 1 A 13 13 TYR H H 13 7.905 7.334 0.571 1
1 63 . 3 1 1 A 13 13 TYR HA H 13 4.586 5.331 -0.745 1
1 70 . 3 1 1 A 13 13 TYR C C 13 174.631 174.491 0.140 1
1 71 . 3 1 1 A 13 13 TYR CA C 13 57.403 56.218 1.185 1
1 72 . 3 1 1 A 13 13 TYR CB C 13 38.592 43.260 -4.668 1
1 77 . 3 1 1 A 13 13 TYR N N 13 118.258 119.019 -0.761 1
1 78 . 3 1 1 A 14 14 ASN H H 14 8.597 9.139 -0.542 1
1 79 . 3 1 1 A 14 14 ASN HA H 14 5.267 5.883 -0.616 1
1 84 . 3 1 1 A 14 14 ASN C C 14 173.616 173.186 0.430 1
1 85 . 3 1 1 A 14 14 ASN CA C 14 52.533 52.287 0.246 1
1 86 . 3 1 1 A 14 14 ASN CB C 14 41.443 43.254 -1.811 1
1 87 . 3 1 1 A 14 14 ASN N N 14 120.998 118.481 2.517 1
1 89 . 3 1 1 A 15 15 CYS H H 15 9.170 8.931 0.239 1
1 90 . 3 1 1 A 15 15 CYS HA H 15 4.549 5.001 -0.452 1
1 93 . 3 1 1 A 15 15 CYS C C 15 177.267 175.007 2.260 1
1 94 . 3 1 1 A 15 15 CYS CA C 15 59.191 57.516 1.675 1
1 95 . 3 1 1 A 15 15 CYS CB C 15 29.553 28.682 0.871 1
1 96 . 3 1 1 A 15 15 CYS N N 15 124.399 119.887 4.512 1
1 97 . 3 1 1 A 16 16 GLU H H 16 9.526 8.599 0.927 1
1 98 . 3 1 1 A 16 16 GLU HA H 16 4.060 3.954 0.106 1
1 103 . 3 1 1 A 16 16 GLU C C 16 176.879 177.772 -0.893 1
1 104 . 3 1 1 A 16 16 GLU CA C 16 58.728 58.971 -0.243 1
1 105 . 3 1 1 A 16 16 GLU CB C 16 29.577 29.806 -0.229 1
1 107 . 3 1 1 A 16 16 GLU N N 16 132.063 127.230 4.833 1
1 108 . 3 1 1 A 17 17 GLU H H 17 8.498 7.970 0.528 1
1 109 . 3 1 1 A 17 17 GLU HA H 17 4.116 3.975 0.141 1
1 114 . 3 1 1 A 17 17 GLU C C 17 177.307 177.825 -0.518 1
1 115 . 3 1 1 A 17 17 GLU CA C 17 58.495 58.829 -0.334 1
1 116 . 3 1 1 A 17 17 GLU CB C 17 29.466 29.510 -0.044 1
1 118 . 3 1 1 A 17 17 GLU N N 17 120.260 118.045 2.215 1
1 119 . 3 1 1 A 18 18 CYS H H 18 7.936 7.695 0.241 1
1 120 . 3 1 1 A 18 18 CYS HA H 18 5.107 4.707 0.400 1
1 123 . 3 1 1 A 18 18 CYS C C 18 176.297 175.379 0.918 1
1 124 . 3 1 1 A 18 18 CYS CA C 18 58.394 59.784 -1.390 1
1 125 . 3 1 1 A 18 18 CYS CB C 18 32.435 30.037 2.398 1
1 126 . 3 1 1 A 18 18 CYS N N 18 114.580 115.278 -0.698 1
1 127 . 3 1 1 A 19 19 GLY H H 19 8.233 8.230 0.003 1
1 128 . 3 1 1 A 19 19 GLY HA2 H 19 3.818 4.098 -0.280 1
1 129 . 3 1 1 A 19 19 GLY HA3 H 19 4.158 4.111 0.047 1
1 130 . 3 1 1 A 19 19 GLY C C 19 174.201 174.343 -0.142 1
1 131 . 3 1 1 A 19 19 GLY CA C 19 46.129 45.226 0.903 1
1 132 . 3 1 1 A 19 19 GLY N N 19 113.640 110.026 3.614 1
1 133 . 3 1 1 A 20 20 LYS H H 20 7.816 7.893 -0.077 1
1 134 . 3 1 1 A 20 20 LYS HA H 20 3.889 4.588 -0.699 1
1 143 . 3 1 1 A 20 20 LYS C C 20 173.338 175.886 -2.548 1
1 144 . 3 1 1 A 20 20 LYS CA C 20 58.071 54.698 3.373 1
1 145 . 3 1 1 A 20 20 LYS CB C 20 33.760 34.496 -0.736 1
1 149 . 3 1 1 A 20 20 LYS N N 20 123.055 121.179 1.876 1
1 150 . 3 1 1 A 21 21 ALA H H 21 7.624 8.538 -0.914 1
1 151 . 3 1 1 A 21 21 ALA HA H 21 5.029 4.911 0.118 1
1 155 . 3 1 1 A 21 21 ALA C C 21 176.478 176.854 -0.376 1
1 156 . 3 1 1 A 21 21 ALA CA C 21 50.590 51.758 -1.168 1
1 157 . 3 1 1 A 21 21 ALA CB C 21 22.409 20.267 2.142 1
1 158 . 3 1 1 A 21 21 ALA N N 21 123.757 128.435 -4.678 1
1 159 . 3 1 1 A 22 22 PHE H H 22 8.570 9.250 -0.680 1
1 160 . 3 1 1 A 22 22 PHE HA H 22 4.696 4.955 -0.259 1
1 168 . 3 1 1 A 22 22 PHE C C 22 175.081 175.682 -0.601 1
1 169 . 3 1 1 A 22 22 PHE CA C 22 57.093 56.570 0.523 1
1 170 . 3 1 1 A 22 22 PHE CB C 22 43.428 43.186 0.242 1
1 176 . 3 1 1 A 22 22 PHE N N 22 116.997 117.340 -0.343 1
1 177 . 3 1 1 A 23 23 ILE H H 23 8.544 8.673 -0.129 1
1 178 . 3 1 1 A 23 23 ILE HA H 23 4.150 4.178 -0.028 1
1 188 . 3 1 1 A 23 23 ILE C C 23 175.250 176.509 -1.259 1
1 189 . 3 1 1 A 23 23 ILE CA C 23 63.146 62.781 0.365 1
1 190 . 3 1 1 A 23 23 ILE CB C 23 38.976 38.859 0.117 1
1 194 . 3 1 1 A 23 23 ILE N N 23 118.524 122.320 -3.796 1
1 195 . 3 1 1 A 24 24 HIS H H 24 7.481 8.209 -0.728 1
1 196 . 3 1 1 A 24 24 HIS HA H 24 4.930 4.991 -0.061 1
1 201 . 3 1 1 A 24 24 HIS C C 24 175.914 174.830 1.084 1
1 202 . 3 1 1 A 24 24 HIS CA C 24 54.508 54.616 -0.108 1
1 203 . 3 1 1 A 24 24 HIS CB C 24 34.064 32.343 1.721 1
1 206 . 3 1 1 A 24 24 HIS N N 24 115.184 117.895 -2.711 1
1 207 . 3 1 1 A 25 25 ASP H H 25 8.313 8.954 -0.641 1
1 208 . 3 1 1 A 25 25 ASP HA H 25 3.499 3.307 0.192 1
1 210 . 3 1 1 A 25 25 ASP C C 25 178.409 178.141 0.268 1
1 211 . 3 1 1 A 25 25 ASP CA C 25 56.851 56.496 0.355 1
1 212 . 3 1 1 A 25 25 ASP CB C 25 40.476 39.253 1.223 1
1 213 . 3 1 1 A 25 25 ASP N N 25 126.437 122.007 4.430 1
1 214 . 3 1 1 A 26 26 SER H H 26 8.942 8.003 0.939 1
1 215 . 3 1 1 A 26 26 SER HA H 26 3.891 4.047 -0.156 1
1 218 . 3 1 1 A 26 26 SER C C 26 177.293 176.381 0.912 1
1 219 . 3 1 1 A 26 26 SER CA C 26 61.240 61.617 -0.377 1
1 220 . 3 1 1 A 26 26 SER CB C 26 61.426 63.255 -1.829 1
1 221 . 3 1 1 A 26 26 SER N N 26 114.987 115.330 -0.343 1
1 222 . 3 1 1 A 27 27 GLN H H 27 6.908 7.794 -0.886 1
1 223 . 3 1 1 A 27 27 GLN HA H 27 3.996 4.068 -0.072 1
1 230 . 3 1 1 A 27 27 GLN C C 27 178.844 178.145 0.699 1
1 231 . 3 1 1 A 27 27 GLN CA C 27 57.699 58.898 -1.199 1
1 232 . 3 1 1 A 27 27 GLN CB C 27 28.809 28.639 0.170 1
1 234 . 3 1 1 A 27 27 GLN N N 27 120.797 121.400 -0.603 1
1 236 . 3 1 1 A 28 28 LEU H H 28 6.989 7.588 -0.599 1
1 237 . 3 1 1 A 28 28 LEU HA H 28 3.192 2.088 1.104 1
1 247 . 3 1 1 A 28 28 LEU C C 28 177.795 178.368 -0.573 1
1 248 . 3 1 1 A 28 28 LEU CA C 28 57.807 57.019 0.788 1
1 249 . 3 1 1 A 28 28 LEU CB C 28 40.185 40.806 -0.621 1
1 253 . 3 1 1 A 28 28 LEU N N 28 122.387 121.295 1.092 1
1 254 . 3 1 1 A 29 29 GLN H H 29 8.345 8.382 -0.037 1
1 255 . 3 1 1 A 29 29 GLN HA H 29 3.923 3.848 0.075 1
1 262 . 3 1 1 A 29 29 GLN C C 29 179.092 178.567 0.525 1
1 263 . 3 1 1 A 29 29 GLN CA C 29 58.757 59.090 -0.333 1
1 264 . 3 1 1 A 29 29 GLN CB C 29 27.751 28.310 -0.559 1
1 266 . 3 1 1 A 29 29 GLN N N 29 117.492 117.966 -0.474 1
1 268 . 3 1 1 A 30 30 GLU H H 30 7.420 7.761 -0.341 1
1 269 . 3 1 1 A 30 30 GLU HA H 30 3.885 4.150 -0.265 1
1 274 . 3 1 1 A 30 30 GLU C C 30 178.747 178.513 0.234 1
1 275 . 3 1 1 A 30 30 GLU CA C 30 58.958 58.192 0.766 1
1 276 . 3 1 1 A 30 30 GLU CB C 30 29.563 29.482 0.081 1
1 278 . 3 1 1 A 30 30 GLU N N 30 118.075 118.400 -0.325 1
1 279 . 3 1 1 A 31 31 HIS H H 31 7.602 8.083 -0.481 1
1 280 . 3 1 1 A 31 31 HIS HA H 31 4.116 4.429 -0.313 1
1 285 . 3 1 1 A 31 31 HIS C C 31 176.263 177.098 -0.835 1
1 286 . 3 1 1 A 31 31 HIS CA C 31 59.038 58.639 0.399 1
1 287 . 3 1 1 A 31 31 HIS CB C 31 28.559 30.787 -2.228 1
1 290 . 3 1 1 A 31 31 HIS N N 31 119.104 119.761 -0.657 1
1 291 . 3 1 1 A 32 32 GLN H H 32 8.297 8.364 -0.067 1
1 292 . 3 1 1 A 32 32 GLN HA H 32 3.646 3.930 -0.284 1
1 299 . 3 1 1 A 32 32 GLN C C 32 177.393 178.043 -0.650 1
1 300 . 3 1 1 A 32 32 GLN CA C 32 59.179 58.569 0.610 1
1 301 . 3 1 1 A 32 32 GLN CB C 32 28.076 28.389 -0.313 1
1 303 . 3 1 1 A 32 32 GLN N N 32 115.048 118.657 -3.609 1
1 305 . 3 1 1 A 33 33 ARG H H 33 7.093 8.369 -1.276 1
1 306 . 3 1 1 A 33 33 ARG HA H 33 4.062 4.072 -0.010 1
1 313 . 3 1 1 A 33 33 ARG C C 33 178.632 177.631 1.001 1
1 314 . 3 1 1 A 33 33 ARG CA C 33 58.740 58.563 0.177 1
1 315 . 3 1 1 A 33 33 ARG CB C 33 30.018 29.664 0.354 1
1 318 . 3 1 1 A 33 33 ARG N N 33 117.429 118.093 -0.664 1
1 319 . 3 1 1 A 34 34 ILE H H 34 7.742 7.639 0.103 1
1 320 . 3 1 1 A 34 34 ILE HA H 34 3.907 3.825 0.082 1
1 330 . 3 1 1 A 34 34 ILE C C 34 177.477 177.999 -0.522 1
1 331 . 3 1 1 A 34 34 ILE CA C 34 62.981 63.780 -0.799 1
1 332 . 3 1 1 A 34 34 ILE CB C 34 37.561 37.004 0.557 1
1 336 . 3 1 1 A 34 34 ILE N N 34 116.287 116.238 0.049 1
1 337 . 3 1 1 A 35 35 HIS H H 35 7.154 7.186 -0.032 1
1 338 . 3 1 1 A 35 35 HIS HA H 35 4.820 4.342 0.478 1
1 343 . 3 1 1 A 35 35 HIS C C 35 175.945 175.620 0.325 1
1 344 . 3 1 1 A 35 35 HIS CA C 35 55.340 59.342 -4.002 1
1 345 . 3 1 1 A 35 35 HIS CB C 35 28.562 31.148 -2.586 1
1 348 . 3 1 1 A 35 35 HIS N N 35 117.832 119.368 -1.536 1
1 349 . 3 1 1 A 36 36 THR H H 36 7.768 7.426 0.342 1
1 350 . 3 1 1 A 36 36 THR HA H 36 4.280 4.221 0.059 1
1 355 . 3 1 1 A 36 36 THR C C 36 175.527 174.586 0.941 1
1 356 . 3 1 1 A 36 36 THR CA C 36 62.599 62.206 0.393 1
1 357 . 3 1 1 A 36 36 THR CB C 36 69.779 68.301 1.478 1
1 359 . 3 1 1 A 36 36 THR N N 36 111.677 112.213 -0.536 1
1 360 . 3 1 1 A 37 37 GLY H H 37 8.154 7.976 0.178 1
1 361 . 3 1 1 A 37 37 GLY HA2 H 37 3.961 4.129 -0.168 1
1 362 . 3 1 1 A 37 37 GLY HA3 H 37 3.903 4.130 -0.227 1
1 363 . 3 1 1 A 37 37 GLY C C 37 174.033 172.717 1.316 1
1 364 . 3 1 1 A 37 37 GLY CA C 37 45.278 46.003 -0.725 1
1 365 . 3 1 1 A 37 37 GLY N N 37 110.498 111.340 -0.842 1
1 366 . 3 1 1 A 38 38 GLU H H 38 8.043 8.594 -0.551 1
1 367 . 3 1 1 A 38 38 GLU HA H 38 4.178 4.399 -0.221 1
1 372 . 3 1 1 A 38 38 GLU C C 38 176.163 175.353 0.810 1
1 373 . 3 1 1 A 38 38 GLU CA C 38 56.461 55.585 0.876 1
1 374 . 3 1 1 A 38 38 GLU CB C 38 30.437 28.229 2.208 1
1 376 . 3 1 1 A 38 38 GLU N N 38 120.528 125.928 -5.400 1
1 377 . 3 1 1 A 39 39 LYS H H 39 8.342 7.271 1.071 1
1 378 . 3 1 1 A 39 39 LYS HA H 39 4.549 4.675 -0.126 1
1 387 . 3 1 1 A 39 39 LYS C C 39 174.171 173.625 0.546 1
1 388 . 3 1 1 A 39 39 LYS CA C 39 54.043 54.219 -0.176 1
1 389 . 3 1 1 A 39 39 LYS CB C 39 32.451 35.984 -3.533 1
1 393 . 3 1 1 A 39 39 LYS N N 39 123.761 123.326 0.435 1
1 394 . 3 1 1 A 40 40 PRO HA H 40 4.405 4.570 -0.165 1
1 401 . 3 1 1 A 40 40 PRO CA C 40 63.060 62.503 0.557 1
1 402 . 3 1 1 A 40 40 PRO CB C 40 32.128 32.365 -0.237 1
1 405 . 3 1 1 A 41 41 SER H H 41 8.479 8.530 -0.051 1
1 406 . 3 1 1 A 41 41 SER HA H 41 4.398 4.253 0.145 1
1 409 . 3 1 1 A 41 41 SER CA C 41 58.288 58.703 -0.415 1
1 410 . 3 1 1 A 41 41 SER CB C 41 63.893 61.494 2.399 1
1 411 . 3 1 1 A 41 41 SER N N 41 116.629 118.842 -2.213 1
1 412 . 3 1 1 A 42 42 GLY HA2 H 42 4.040 3.909 0.131 1
1 413 . 3 1 1 A 42 42 GLY HA3 H 42 4.105 3.911 0.194 1
1 414 . 3 1 1 A 42 42 GLY CA C 42 44.637 46.898 -2.261 1
1 415 . 3 1 1 A 43 43 PRO HA H 43 4.407 4.578 -0.171 1
1 422 . 3 1 1 A 43 43 PRO CA C 43 63.220 64.431 -1.211 1
1 423 . 3 1 1 A 43 43 PRO CB C 43 32.207 31.773 0.434 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.966 4.125 -0.159 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.966 4.126 -0.160 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.489 174.973 -0.484 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.460 45.249 0.211 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.117 7.723 0.394 1
1 6 . 4 1 1 A 8 8 THR HA H 8 4.307 4.460 -0.153 1
1 11 . 4 1 1 A 8 8 THR C C 8 175.219 174.101 1.118 1
1 12 . 4 1 1 A 8 8 THR CA C 8 61.781 61.480 0.301 1
1 13 . 4 1 1 A 8 8 THR CB C 8 69.794 68.673 1.121 1
1 15 . 4 1 1 A 8 8 THR N N 8 112.800 112.942 -0.142 1
1 16 . 4 1 1 A 9 9 GLY H H 9 8.403 7.448 0.955 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 3.961 4.118 -0.157 1
1 18 . 4 1 1 A 9 9 GLY HA3 H 9 3.906 4.122 -0.216 1
1 19 . 4 1 1 A 9 9 GLY C C 9 173.986 172.188 1.798 1
1 20 . 4 1 1 A 9 9 GLY CA C 9 45.291 45.461 -0.170 1
1 21 . 4 1 1 A 9 9 GLY N N 9 110.970 109.642 1.328 1
1 22 . 4 1 1 A 10 10 GLU H H 10 8.167 9.136 -0.969 1
1 23 . 4 1 1 A 10 10 GLU HA H 10 4.119 5.083 -0.964 1
1 28 . 4 1 1 A 10 10 GLU C C 10 176.245 175.318 0.927 1
1 29 . 4 1 1 A 10 10 GLU CA C 10 56.761 54.311 2.450 1
1 30 . 4 1 1 A 10 10 GLU CB C 10 30.315 32.766 -2.451 1
1 32 . 4 1 1 A 10 10 GLU N N 10 120.318 121.438 -1.120 1
1 33 . 4 1 1 A 11 11 LYS H H 11 8.212 8.396 -0.184 1
1 34 . 4 1 1 A 11 11 LYS HA H 11 4.481 4.192 0.289 1
1 43 . 4 1 1 A 11 11 LYS C C 11 174.425 176.699 -2.274 1
1 44 . 4 1 1 A 11 11 LYS CA C 11 53.842 55.355 -1.513 1
1 45 . 4 1 1 A 11 11 LYS CB C 11 33.027 32.463 0.564 1
1 49 . 4 1 1 A 11 11 LYS N N 11 121.767 120.738 1.029 1
1 50 . 4 1 1 A 12 12 PRO HA H 12 4.244 4.374 -0.130 1
1 57 . 4 1 1 A 12 12 PRO C C 12 176.079 175.625 0.454 1
1 58 . 4 1 1 A 12 12 PRO CA C 12 63.283 64.025 -0.742 1
1 59 . 4 1 1 A 12 12 PRO CB C 12 32.187 31.476 0.711 1
1 62 . 4 1 1 A 13 13 TYR H H 13 7.905 7.215 0.690 1
1 63 . 4 1 1 A 13 13 TYR HA H 13 4.586 5.344 -0.758 1
1 70 . 4 1 1 A 13 13 TYR C C 13 174.631 174.537 0.094 1
1 71 . 4 1 1 A 13 13 TYR CA C 13 57.403 56.664 0.739 1
1 72 . 4 1 1 A 13 13 TYR CB C 13 38.592 42.887 -4.295 1
1 77 . 4 1 1 A 13 13 TYR N N 13 118.258 119.103 -0.845 1
1 78 . 4 1 1 A 14 14 ASN H H 14 8.597 9.028 -0.431 1
1 79 . 4 1 1 A 14 14 ASN HA H 14 5.267 5.770 -0.503 1
1 84 . 4 1 1 A 14 14 ASN C C 14 173.616 173.503 0.113 1
1 85 . 4 1 1 A 14 14 ASN CA C 14 52.533 52.254 0.279 1
1 86 . 4 1 1 A 14 14 ASN CB C 14 41.443 43.517 -2.074 1
1 87 . 4 1 1 A 14 14 ASN N N 14 120.998 117.966 3.032 1
1 89 . 4 1 1 A 15 15 CYS H H 15 9.170 8.843 0.327 1
1 90 . 4 1 1 A 15 15 CYS HA H 15 4.549 4.713 -0.164 1
1 93 . 4 1 1 A 15 15 CYS C C 15 177.267 174.972 2.295 1
1 94 . 4 1 1 A 15 15 CYS CA C 15 59.191 57.666 1.525 1
1 95 . 4 1 1 A 15 15 CYS CB C 15 29.553 27.740 1.813 1
1 96 . 4 1 1 A 15 15 CYS N N 15 124.399 120.548 3.851 1
1 97 . 4 1 1 A 16 16 GLU H H 16 9.526 8.566 0.960 1
1 98 . 4 1 1 A 16 16 GLU HA H 16 4.060 3.933 0.127 1
1 103 . 4 1 1 A 16 16 GLU C C 16 176.879 177.929 -1.050 1
1 104 . 4 1 1 A 16 16 GLU CA C 16 58.728 59.117 -0.389 1
1 105 . 4 1 1 A 16 16 GLU CB C 16 29.577 29.766 -0.189 1
1 107 . 4 1 1 A 16 16 GLU N N 16 132.063 127.331 4.732 1
1 108 . 4 1 1 A 17 17 GLU H H 17 8.498 7.981 0.517 1
1 109 . 4 1 1 A 17 17 GLU HA H 17 4.116 4.025 0.091 1
1 114 . 4 1 1 A 17 17 GLU C C 17 177.307 178.091 -0.784 1
1 115 . 4 1 1 A 17 17 GLU CA C 17 58.495 58.731 -0.236 1
1 116 . 4 1 1 A 17 17 GLU CB C 17 29.466 29.519 -0.053 1
1 118 . 4 1 1 A 17 17 GLU N N 17 120.260 118.417 1.843 1
1 119 . 4 1 1 A 18 18 CYS H H 18 7.936 7.588 0.348 1
1 120 . 4 1 1 A 18 18 CYS HA H 18 5.107 4.734 0.373 1
1 123 . 4 1 1 A 18 18 CYS C C 18 176.297 175.370 0.927 1
1 124 . 4 1 1 A 18 18 CYS CA C 18 58.394 59.728 -1.334 1
1 125 . 4 1 1 A 18 18 CYS CB C 18 32.435 29.879 2.556 1
1 126 . 4 1 1 A 18 18 CYS N N 18 114.580 115.323 -0.743 1
1 127 . 4 1 1 A 19 19 GLY H H 19 8.233 8.319 -0.086 1
1 128 . 4 1 1 A 19 19 GLY HA2 H 19 3.818 4.082 -0.264 1
1 129 . 4 1 1 A 19 19 GLY HA3 H 19 4.158 4.086 0.072 1
1 130 . 4 1 1 A 19 19 GLY C C 19 174.201 174.265 -0.064 1
1 131 . 4 1 1 A 19 19 GLY CA C 19 46.129 45.236 0.893 1
1 132 . 4 1 1 A 19 19 GLY N N 19 113.640 110.318 3.322 1
1 133 . 4 1 1 A 20 20 LYS H H 20 7.816 7.922 -0.106 1
1 134 . 4 1 1 A 20 20 LYS HA H 20 3.889 4.661 -0.772 1
1 143 . 4 1 1 A 20 20 LYS C C 20 173.338 175.202 -1.864 1
1 144 . 4 1 1 A 20 20 LYS CA C 20 58.071 55.364 2.707 1
1 145 . 4 1 1 A 20 20 LYS CB C 20 33.760 34.227 -0.467 1
1 149 . 4 1 1 A 20 20 LYS N N 20 123.055 121.476 1.579 1
1 150 . 4 1 1 A 21 21 ALA H H 21 7.624 8.106 -0.482 1
1 151 . 4 1 1 A 21 21 ALA HA H 21 5.029 5.553 -0.524 1
1 155 . 4 1 1 A 21 21 ALA C C 21 176.478 175.119 1.359 1
1 156 . 4 1 1 A 21 21 ALA CA C 21 50.590 50.053 0.537 1
1 157 . 4 1 1 A 21 21 ALA CB C 21 22.409 23.278 -0.869 1
1 158 . 4 1 1 A 21 21 ALA N N 21 123.757 123.805 -0.048 1
1 159 . 4 1 1 A 22 22 PHE H H 22 8.570 9.166 -0.596 1
1 160 . 4 1 1 A 22 22 PHE HA H 22 4.696 4.984 -0.288 1
1 168 . 4 1 1 A 22 22 PHE C C 22 175.081 175.585 -0.504 1
1 169 . 4 1 1 A 22 22 PHE CA C 22 57.093 56.556 0.537 1
1 170 . 4 1 1 A 22 22 PHE CB C 22 43.428 43.479 -0.051 1
1 176 . 4 1 1 A 22 22 PHE N N 22 116.997 116.628 0.369 1
1 177 . 4 1 1 A 23 23 ILE H H 23 8.544 8.800 -0.256 1
1 178 . 4 1 1 A 23 23 ILE HA H 23 4.150 4.171 -0.021 1
1 188 . 4 1 1 A 23 23 ILE C C 23 175.250 176.241 -0.991 1
1 189 . 4 1 1 A 23 23 ILE CA C 23 63.146 62.722 0.424 1
1 190 . 4 1 1 A 23 23 ILE CB C 23 38.976 38.712 0.264 1
1 194 . 4 1 1 A 23 23 ILE N N 23 118.524 120.579 -2.055 1
1 195 . 4 1 1 A 24 24 HIS H H 24 7.481 8.220 -0.739 1
1 196 . 4 1 1 A 24 24 HIS HA H 24 4.930 4.949 -0.019 1
1 201 . 4 1 1 A 24 24 HIS C C 24 175.914 175.212 0.702 1
1 202 . 4 1 1 A 24 24 HIS CA C 24 54.508 55.323 -0.815 1
1 203 . 4 1 1 A 24 24 HIS CB C 24 34.064 32.414 1.650 1
1 206 . 4 1 1 A 24 24 HIS N N 24 115.184 117.463 -2.279 1
1 207 . 4 1 1 A 25 25 ASP H H 25 8.313 8.951 -0.638 1
1 208 . 4 1 1 A 25 25 ASP HA H 25 3.499 3.354 0.145 1
1 210 . 4 1 1 A 25 25 ASP C C 25 178.409 178.103 0.306 1
1 211 . 4 1 1 A 25 25 ASP CA C 25 56.851 56.639 0.212 1
1 212 . 4 1 1 A 25 25 ASP CB C 25 40.476 39.923 0.553 1
1 213 . 4 1 1 A 25 25 ASP N N 25 126.437 120.482 5.955 1
1 214 . 4 1 1 A 26 26 SER H H 26 8.942 8.396 0.546 1
1 215 . 4 1 1 A 26 26 SER HA H 26 3.891 4.133 -0.242 1
1 218 . 4 1 1 A 26 26 SER C C 26 177.293 176.975 0.318 1
1 219 . 4 1 1 A 26 26 SER CA C 26 61.240 61.520 -0.280 1
1 220 . 4 1 1 A 26 26 SER CB C 26 61.426 62.557 -1.131 1
1 221 . 4 1 1 A 26 26 SER N N 26 114.987 113.905 1.082 1
1 222 . 4 1 1 A 27 27 GLN H H 27 6.908 8.073 -1.165 1
1 223 . 4 1 1 A 27 27 GLN HA H 27 3.996 3.941 0.055 1
1 230 . 4 1 1 A 27 27 GLN C C 27 178.844 178.167 0.677 1
1 231 . 4 1 1 A 27 27 GLN CA C 27 57.699 59.010 -1.311 1
1 232 . 4 1 1 A 27 27 GLN CB C 27 28.809 28.114 0.695 1
1 234 . 4 1 1 A 27 27 GLN N N 27 120.797 121.547 -0.750 1
1 236 . 4 1 1 A 28 28 LEU H H 28 6.989 7.229 -0.240 1
1 237 . 4 1 1 A 28 28 LEU HA H 28 3.192 2.357 0.835 1
1 247 . 4 1 1 A 28 28 LEU C C 28 177.795 178.527 -0.732 1
1 248 . 4 1 1 A 28 28 LEU CA C 28 57.807 57.316 0.491 1
1 249 . 4 1 1 A 28 28 LEU CB C 28 40.185 41.448 -1.263 1
1 253 . 4 1 1 A 28 28 LEU N N 28 122.387 121.032 1.355 1
1 254 . 4 1 1 A 29 29 GLN H H 29 8.345 8.360 -0.015 1
1 255 . 4 1 1 A 29 29 GLN HA H 29 3.923 3.818 0.105 1
1 262 . 4 1 1 A 29 29 GLN C C 29 179.092 178.408 0.684 1
1 263 . 4 1 1 A 29 29 GLN CA C 29 58.757 59.128 -0.371 1
1 264 . 4 1 1 A 29 29 GLN CB C 29 27.751 28.019 -0.268 1
1 266 . 4 1 1 A 29 29 GLN N N 29 117.492 117.610 -0.118 1
1 268 . 4 1 1 A 30 30 GLU H H 30 7.420 8.243 -0.823 1
1 269 . 4 1 1 A 30 30 GLU HA H 30 3.885 4.049 -0.164 1
1 274 . 4 1 1 A 30 30 GLU C C 30 178.747 178.782 -0.035 1
1 275 . 4 1 1 A 30 30 GLU CA C 30 58.958 58.850 0.108 1
1 276 . 4 1 1 A 30 30 GLU CB C 30 29.563 29.650 -0.087 1
1 278 . 4 1 1 A 30 30 GLU N N 30 118.075 119.477 -1.402 1
1 279 . 4 1 1 A 31 31 HIS H H 31 7.602 8.141 -0.539 1
1 280 . 4 1 1 A 31 31 HIS HA H 31 4.116 4.263 -0.147 1
1 285 . 4 1 1 A 31 31 HIS C C 31 176.263 177.135 -0.872 1
1 286 . 4 1 1 A 31 31 HIS CA C 31 59.038 58.981 0.057 1
1 287 . 4 1 1 A 31 31 HIS CB C 31 28.559 30.227 -1.668 1
1 290 . 4 1 1 A 31 31 HIS N N 31 119.104 119.855 -0.751 1
1 291 . 4 1 1 A 32 32 GLN H H 32 8.297 8.561 -0.264 1
1 292 . 4 1 1 A 32 32 GLN HA H 32 3.646 3.853 -0.207 1
1 299 . 4 1 1 A 32 32 GLN C C 32 177.393 178.622 -1.229 1
1 300 . 4 1 1 A 32 32 GLN CA C 32 59.179 59.232 -0.053 1
1 301 . 4 1 1 A 32 32 GLN CB C 32 28.076 28.291 -0.215 1
1 303 . 4 1 1 A 32 32 GLN N N 32 115.048 117.682 -2.634 1
1 305 . 4 1 1 A 33 33 ARG H H 33 7.093 7.628 -0.535 1
1 306 . 4 1 1 A 33 33 ARG HA H 33 4.062 3.990 0.072 1
1 313 . 4 1 1 A 33 33 ARG C C 33 178.632 178.843 -0.211 1
1 314 . 4 1 1 A 33 33 ARG CA C 33 58.740 58.984 -0.244 1
1 315 . 4 1 1 A 33 33 ARG CB C 33 30.018 29.859 0.159 1
1 318 . 4 1 1 A 33 33 ARG N N 33 117.429 120.065 -2.636 1
1 319 . 4 1 1 A 34 34 ILE H H 34 7.742 7.899 -0.157 1
1 320 . 4 1 1 A 34 34 ILE HA H 34 3.907 3.769 0.138 1
1 330 . 4 1 1 A 34 34 ILE C C 34 177.477 177.608 -0.131 1
1 331 . 4 1 1 A 34 34 ILE CA C 34 62.981 64.222 -1.241 1
1 332 . 4 1 1 A 34 34 ILE CB C 34 37.561 37.348 0.213 1
1 336 . 4 1 1 A 34 34 ILE N N 34 116.287 118.109 -1.822 1
1 337 . 4 1 1 A 35 35 HIS H H 35 7.154 7.729 -0.575 1
1 338 . 4 1 1 A 35 35 HIS HA H 35 4.820 4.399 0.421 1
1 343 . 4 1 1 A 35 35 HIS C C 35 175.945 175.603 0.342 1
1 344 . 4 1 1 A 35 35 HIS CA C 35 55.340 59.140 -3.800 1
1 345 . 4 1 1 A 35 35 HIS CB C 35 28.562 30.418 -1.856 1
1 348 . 4 1 1 A 35 35 HIS N N 35 117.832 119.658 -1.826 1
1 349 . 4 1 1 A 36 36 THR H H 36 7.768 7.581 0.187 1
1 350 . 4 1 1 A 36 36 THR HA H 36 4.280 4.162 0.118 1
1 355 . 4 1 1 A 36 36 THR C C 36 175.527 174.886 0.641 1
1 356 . 4 1 1 A 36 36 THR CA C 36 62.599 62.582 0.017 1
1 357 . 4 1 1 A 36 36 THR CB C 36 69.779 68.753 1.026 1
1 359 . 4 1 1 A 36 36 THR N N 36 111.677 111.961 -0.284 1
1 360 . 4 1 1 A 37 37 GLY H H 37 8.154 8.603 -0.449 1
1 361 . 4 1 1 A 37 37 GLY HA2 H 37 3.961 4.074 -0.113 1
1 362 . 4 1 1 A 37 37 GLY HA3 H 37 3.903 4.081 -0.178 1
1 363 . 4 1 1 A 37 37 GLY C C 37 174.033 173.423 0.610 1
1 364 . 4 1 1 A 37 37 GLY CA C 37 45.278 44.424 0.854 1
1 365 . 4 1 1 A 37 37 GLY N N 37 110.498 111.902 -1.404 1
1 366 . 4 1 1 A 38 38 GLU H H 38 8.043 8.388 -0.345 1
1 367 . 4 1 1 A 38 38 GLU HA H 38 4.178 4.382 -0.204 1
1 372 . 4 1 1 A 38 38 GLU C C 38 176.163 175.016 1.147 1
1 373 . 4 1 1 A 38 38 GLU CA C 38 56.461 55.506 0.955 1
1 374 . 4 1 1 A 38 38 GLU CB C 38 30.437 28.156 2.281 1
1 376 . 4 1 1 A 38 38 GLU N N 38 120.528 123.637 -3.109 1
1 377 . 4 1 1 A 39 39 LYS H H 39 8.342 8.149 0.193 1
1 378 . 4 1 1 A 39 39 LYS HA H 39 4.549 4.740 -0.191 1
1 387 . 4 1 1 A 39 39 LYS C C 39 174.171 173.947 0.224 1
1 388 . 4 1 1 A 39 39 LYS CA C 39 54.043 54.500 -0.457 1
1 389 . 4 1 1 A 39 39 LYS CB C 39 32.451 34.733 -2.282 1
1 393 . 4 1 1 A 39 39 LYS N N 39 123.761 118.482 5.279 1
1 394 . 4 1 1 A 40 40 PRO HA H 40 4.405 4.653 -0.248 1
1 401 . 4 1 1 A 40 40 PRO CA C 40 63.060 62.355 0.705 1
1 402 . 4 1 1 A 40 40 PRO CB C 40 32.128 33.246 -1.118 1
1 405 . 4 1 1 A 41 41 SER H H 41 8.479 8.461 0.018 1
1 406 . 4 1 1 A 41 41 SER HA H 41 4.398 4.499 -0.101 1
1 409 . 4 1 1 A 41 41 SER CA C 41 58.288 58.644 -0.356 1
1 410 . 4 1 1 A 41 41 SER CB C 41 63.893 62.362 1.531 1
1 411 . 4 1 1 A 41 41 SER N N 41 116.629 117.360 -0.731 1
1 412 . 4 1 1 A 42 42 GLY HA2 H 42 4.040 3.874 0.166 1
1 413 . 4 1 1 A 42 42 GLY HA3 H 42 4.105 3.874 0.231 1
1 414 . 4 1 1 A 42 42 GLY CA C 42 44.637 46.993 -2.356 1
1 415 . 4 1 1 A 43 43 PRO HA H 43 4.407 4.589 -0.182 1
1 422 . 4 1 1 A 43 43 PRO CA C 43 63.220 62.312 0.908 1
1 423 . 4 1 1 A 43 43 PRO CB C 43 32.207 29.620 2.587 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.966 4.125 -0.159 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.966 4.126 -0.160 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.489 171.481 3.008 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.460 44.295 1.165 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.117 8.171 -0.054 1
1 6 . 5 1 1 A 8 8 THR HA H 8 4.307 4.947 -0.640 1
1 11 . 5 1 1 A 8 8 THR C C 8 175.219 171.974 3.245 1
1 12 . 5 1 1 A 8 8 THR CA C 8 61.781 60.248 1.533 1
1 13 . 5 1 1 A 8 8 THR CB C 8 69.794 70.575 -0.781 1
1 15 . 5 1 1 A 8 8 THR N N 8 112.800 113.241 -0.441 1
1 16 . 5 1 1 A 9 9 GLY H H 9 8.403 8.755 -0.352 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 3.961 4.119 -0.158 1
1 18 . 5 1 1 A 9 9 GLY HA3 H 9 3.906 4.122 -0.216 1
1 19 . 5 1 1 A 9 9 GLY C C 9 173.986 172.437 1.549 1
1 20 . 5 1 1 A 9 9 GLY CA C 9 45.291 46.100 -0.809 1
1 21 . 5 1 1 A 9 9 GLY N N 9 110.970 114.009 -3.039 1
1 22 . 5 1 1 A 10 10 GLU H H 10 8.167 8.749 -0.582 1
1 23 . 5 1 1 A 10 10 GLU HA H 10 4.119 4.777 -0.658 1
1 28 . 5 1 1 A 10 10 GLU C C 10 176.245 175.609 0.636 1
1 29 . 5 1 1 A 10 10 GLU CA C 10 56.761 56.123 0.638 1
1 30 . 5 1 1 A 10 10 GLU CB C 10 30.315 30.864 -0.549 1
1 32 . 5 1 1 A 10 10 GLU N N 10 120.318 124.230 -3.912 1
1 33 . 5 1 1 A 11 11 LYS H H 11 8.212 8.397 -0.185 1
1 34 . 5 1 1 A 11 11 LYS HA H 11 4.481 4.905 -0.424 1
1 43 . 5 1 1 A 11 11 LYS C C 11 174.425 175.848 -1.423 1
1 44 . 5 1 1 A 11 11 LYS CA C 11 53.842 52.577 1.265 1
1 45 . 5 1 1 A 11 11 LYS CB C 11 33.027 35.444 -2.417 1
1 49 . 5 1 1 A 11 11 LYS N N 11 121.767 126.347 -4.580 1
1 50 . 5 1 1 A 12 12 PRO HA H 12 4.244 4.375 -0.131 1
1 57 . 5 1 1 A 12 12 PRO C C 12 176.079 175.673 0.406 1
1 58 . 5 1 1 A 12 12 PRO CA C 12 63.283 63.819 -0.536 1
1 59 . 5 1 1 A 12 12 PRO CB C 12 32.187 31.349 0.838 1
1 62 . 5 1 1 A 13 13 TYR H H 13 7.905 7.207 0.698 1
1 63 . 5 1 1 A 13 13 TYR HA H 13 4.586 5.356 -0.770 1
1 70 . 5 1 1 A 13 13 TYR C C 13 174.631 174.471 0.160 1
1 71 . 5 1 1 A 13 13 TYR CA C 13 57.403 56.250 1.153 1
1 72 . 5 1 1 A 13 13 TYR CB C 13 38.592 43.487 -4.895 1
1 77 . 5 1 1 A 13 13 TYR N N 13 118.258 118.844 -0.586 1
1 78 . 5 1 1 A 14 14 ASN H H 14 8.597 9.012 -0.415 1
1 79 . 5 1 1 A 14 14 ASN HA H 14 5.267 5.792 -0.525 1
1 84 . 5 1 1 A 14 14 ASN C C 14 173.616 173.756 -0.140 1
1 85 . 5 1 1 A 14 14 ASN CA C 14 52.533 52.641 -0.108 1
1 86 . 5 1 1 A 14 14 ASN CB C 14 41.443 42.605 -1.162 1
1 87 . 5 1 1 A 14 14 ASN N N 14 120.998 117.717 3.281 1
1 89 . 5 1 1 A 15 15 CYS H H 15 9.170 9.350 -0.180 1
1 90 . 5 1 1 A 15 15 CYS HA H 15 4.549 4.555 -0.006 1
1 93 . 5 1 1 A 15 15 CYS C C 15 177.267 175.813 1.454 1
1 94 . 5 1 1 A 15 15 CYS CA C 15 59.191 58.962 0.229 1
1 95 . 5 1 1 A 15 15 CYS CB C 15 29.553 28.510 1.043 1
1 96 . 5 1 1 A 15 15 CYS N N 15 124.399 122.258 2.141 1
1 97 . 5 1 1 A 16 16 GLU H H 16 9.526 9.056 0.470 1
1 98 . 5 1 1 A 16 16 GLU HA H 16 4.060 4.427 -0.367 1
1 103 . 5 1 1 A 16 16 GLU C C 16 176.879 176.805 0.074 1
1 104 . 5 1 1 A 16 16 GLU CA C 16 58.728 57.306 1.422 1
1 105 . 5 1 1 A 16 16 GLU CB C 16 29.577 29.557 0.020 1
1 107 . 5 1 1 A 16 16 GLU N N 16 132.063 127.422 4.641 1
1 108 . 5 1 1 A 17 17 GLU H H 17 8.498 7.906 0.592 1
1 109 . 5 1 1 A 17 17 GLU HA H 17 4.116 4.389 -0.273 1
1 114 . 5 1 1 A 17 17 GLU C C 17 177.307 177.908 -0.601 1
1 115 . 5 1 1 A 17 17 GLU CA C 17 58.495 57.260 1.235 1
1 116 . 5 1 1 A 17 17 GLU CB C 17 29.466 30.336 -0.870 1
1 118 . 5 1 1 A 17 17 GLU N N 17 120.260 117.833 2.427 1
1 119 . 5 1 1 A 18 18 CYS H H 18 7.936 8.121 -0.185 1
1 120 . 5 1 1 A 18 18 CYS HA H 18 5.107 4.758 0.349 1
1 123 . 5 1 1 A 18 18 CYS C C 18 176.297 175.460 0.837 1
1 124 . 5 1 1 A 18 18 CYS CA C 18 58.394 59.788 -1.394 1
1 125 . 5 1 1 A 18 18 CYS CB C 18 32.435 29.979 2.456 1
1 126 . 5 1 1 A 18 18 CYS N N 18 114.580 115.321 -0.741 1
1 127 . 5 1 1 A 19 19 GLY H H 19 8.233 8.100 0.133 1
1 128 . 5 1 1 A 19 19 GLY HA2 H 19 3.818 4.087 -0.269 1
1 129 . 5 1 1 A 19 19 GLY HA3 H 19 4.158 4.090 0.068 1
1 130 . 5 1 1 A 19 19 GLY C C 19 174.201 174.315 -0.114 1
1 131 . 5 1 1 A 19 19 GLY CA C 19 46.129 45.243 0.886 1
1 132 . 5 1 1 A 19 19 GLY N N 19 113.640 109.914 3.726 1
1 133 . 5 1 1 A 20 20 LYS H H 20 7.816 7.806 0.010 1
1 134 . 5 1 1 A 20 20 LYS HA H 20 3.889 4.731 -0.842 1
1 143 . 5 1 1 A 20 20 LYS C C 20 173.338 174.862 -1.524 1
1 144 . 5 1 1 A 20 20 LYS CA C 20 58.071 54.861 3.210 1
1 145 . 5 1 1 A 20 20 LYS CB C 20 33.760 35.236 -1.476 1
1 149 . 5 1 1 A 20 20 LYS N N 20 123.055 120.813 2.242 1
1 150 . 5 1 1 A 21 21 ALA H H 21 7.624 8.509 -0.885 1
1 151 . 5 1 1 A 21 21 ALA HA H 21 5.029 5.693 -0.664 1
1 155 . 5 1 1 A 21 21 ALA C C 21 176.478 175.857 0.621 1
1 156 . 5 1 1 A 21 21 ALA CA C 21 50.590 49.965 0.625 1
1 157 . 5 1 1 A 21 21 ALA CB C 21 22.409 22.764 -0.355 1
1 158 . 5 1 1 A 21 21 ALA N N 21 123.757 125.642 -1.885 1
1 159 . 5 1 1 A 22 22 PHE H H 22 8.570 9.074 -0.504 1
1 160 . 5 1 1 A 22 22 PHE HA H 22 4.696 4.905 -0.209 1
1 168 . 5 1 1 A 22 22 PHE C C 22 175.081 175.703 -0.622 1
1 169 . 5 1 1 A 22 22 PHE CA C 22 57.093 56.553 0.540 1
1 170 . 5 1 1 A 22 22 PHE CB C 22 43.428 43.312 0.116 1
1 176 . 5 1 1 A 22 22 PHE N N 22 116.997 116.613 0.384 1
1 177 . 5 1 1 A 23 23 ILE H H 23 8.544 8.574 -0.030 1
1 178 . 5 1 1 A 23 23 ILE HA H 23 4.150 4.099 0.051 1
1 188 . 5 1 1 A 23 23 ILE C C 23 175.250 176.268 -1.018 1
1 189 . 5 1 1 A 23 23 ILE CA C 23 63.146 63.839 -0.693 1
1 190 . 5 1 1 A 23 23 ILE CB C 23 38.976 38.874 0.102 1
1 194 . 5 1 1 A 23 23 ILE N N 23 118.524 122.098 -3.574 1
1 195 . 5 1 1 A 24 24 HIS H H 24 7.481 8.200 -0.719 1
1 196 . 5 1 1 A 24 24 HIS HA H 24 4.930 4.948 -0.018 1
1 201 . 5 1 1 A 24 24 HIS C C 24 175.914 175.052 0.862 1
1 202 . 5 1 1 A 24 24 HIS CA C 24 54.508 54.834 -0.326 1
1 203 . 5 1 1 A 24 24 HIS CB C 24 34.064 32.729 1.335 1
1 206 . 5 1 1 A 24 24 HIS N N 24 115.184 117.168 -1.984 1
1 207 . 5 1 1 A 25 25 ASP H H 25 8.313 8.783 -0.470 1
1 208 . 5 1 1 A 25 25 ASP HA H 25 3.499 3.344 0.155 1
1 210 . 5 1 1 A 25 25 ASP C C 25 178.409 178.193 0.216 1
1 211 . 5 1 1 A 25 25 ASP CA C 25 56.851 56.541 0.310 1
1 212 . 5 1 1 A 25 25 ASP CB C 25 40.476 40.098 0.378 1
1 213 . 5 1 1 A 25 25 ASP N N 25 126.437 120.297 6.140 1
1 214 . 5 1 1 A 26 26 SER H H 26 8.942 8.390 0.552 1
1 215 . 5 1 1 A 26 26 SER HA H 26 3.891 4.178 -0.287 1
1 218 . 5 1 1 A 26 26 SER C C 26 177.293 176.931 0.362 1
1 219 . 5 1 1 A 26 26 SER CA C 26 61.240 61.724 -0.484 1
1 220 . 5 1 1 A 26 26 SER CB C 26 61.426 62.759 -1.333 1
1 221 . 5 1 1 A 26 26 SER N N 26 114.987 114.077 0.910 1
1 222 . 5 1 1 A 27 27 GLN H H 27 6.908 7.839 -0.931 1
1 223 . 5 1 1 A 27 27 GLN HA H 27 3.996 4.030 -0.034 1
1 230 . 5 1 1 A 27 27 GLN C C 27 178.844 178.101 0.743 1
1 231 . 5 1 1 A 27 27 GLN CA C 27 57.699 58.884 -1.185 1
1 232 . 5 1 1 A 27 27 GLN CB C 27 28.809 28.583 0.226 1
1 234 . 5 1 1 A 27 27 GLN N N 27 120.797 121.717 -0.920 1
1 236 . 5 1 1 A 28 28 LEU H H 28 6.989 7.595 -0.606 1
1 237 . 5 1 1 A 28 28 LEU HA H 28 3.192 1.814 1.378 1
1 247 . 5 1 1 A 28 28 LEU C C 28 177.795 178.480 -0.685 1
1 248 . 5 1 1 A 28 28 LEU CA C 28 57.807 57.111 0.696 1
1 249 . 5 1 1 A 28 28 LEU CB C 28 40.185 41.355 -1.170 1
1 253 . 5 1 1 A 28 28 LEU N N 28 122.387 121.030 1.357 1
1 254 . 5 1 1 A 29 29 GLN H H 29 8.345 8.387 -0.042 1
1 255 . 5 1 1 A 29 29 GLN HA H 29 3.923 3.822 0.101 1
1 262 . 5 1 1 A 29 29 GLN C C 29 179.092 178.403 0.689 1
1 263 . 5 1 1 A 29 29 GLN CA C 29 58.757 59.069 -0.312 1
1 264 . 5 1 1 A 29 29 GLN CB C 29 27.751 28.189 -0.438 1
1 266 . 5 1 1 A 29 29 GLN N N 29 117.492 117.549 -0.057 1
1 268 . 5 1 1 A 30 30 GLU H H 30 7.420 8.170 -0.750 1
1 269 . 5 1 1 A 30 30 GLU HA H 30 3.885 4.036 -0.151 1
1 274 . 5 1 1 A 30 30 GLU C C 30 178.747 178.793 -0.046 1
1 275 . 5 1 1 A 30 30 GLU CA C 30 58.958 58.875 0.083 1
1 276 . 5 1 1 A 30 30 GLU CB C 30 29.563 29.672 -0.109 1
1 278 . 5 1 1 A 30 30 GLU N N 30 118.075 119.452 -1.377 1
1 279 . 5 1 1 A 31 31 HIS H H 31 7.602 8.075 -0.473 1
1 280 . 5 1 1 A 31 31 HIS HA H 31 4.116 4.273 -0.157 1
1 285 . 5 1 1 A 31 31 HIS C C 31 176.263 177.099 -0.836 1
1 286 . 5 1 1 A 31 31 HIS CA C 31 59.038 58.771 0.267 1
1 287 . 5 1 1 A 31 31 HIS CB C 31 28.559 30.147 -1.588 1
1 290 . 5 1 1 A 31 31 HIS N N 31 119.104 119.891 -0.787 1
1 291 . 5 1 1 A 32 32 GLN H H 32 8.297 8.600 -0.303 1
1 292 . 5 1 1 A 32 32 GLN HA H 32 3.646 3.977 -0.331 1
1 299 . 5 1 1 A 32 32 GLN C C 32 177.393 178.795 -1.402 1
1 300 . 5 1 1 A 32 32 GLN CA C 32 59.179 59.276 -0.097 1
1 301 . 5 1 1 A 32 32 GLN CB C 32 28.076 28.265 -0.189 1
1 303 . 5 1 1 A 32 32 GLN N N 32 115.048 117.648 -2.600 1
1 305 . 5 1 1 A 33 33 ARG H H 33 7.093 7.658 -0.565 1
1 306 . 5 1 1 A 33 33 ARG HA H 33 4.062 3.978 0.084 1
1 313 . 5 1 1 A 33 33 ARG C C 33 178.632 178.915 -0.283 1
1 314 . 5 1 1 A 33 33 ARG CA C 33 58.740 58.910 -0.170 1
1 315 . 5 1 1 A 33 33 ARG CB C 33 30.018 29.891 0.127 1
1 318 . 5 1 1 A 33 33 ARG N N 33 117.429 120.064 -2.635 1
1 319 . 5 1 1 A 34 34 ILE H H 34 7.742 8.049 -0.307 1
1 320 . 5 1 1 A 34 34 ILE HA H 34 3.907 3.742 0.165 1
1 330 . 5 1 1 A 34 34 ILE C C 34 177.477 177.508 -0.031 1
1 331 . 5 1 1 A 34 34 ILE CA C 34 62.981 63.837 -0.856 1
1 332 . 5 1 1 A 34 34 ILE CB C 34 37.561 37.253 0.308 1
1 336 . 5 1 1 A 34 34 ILE N N 34 116.287 118.072 -1.785 1
1 337 . 5 1 1 A 35 35 HIS H H 35 7.154 7.647 -0.493 1
1 338 . 5 1 1 A 35 35 HIS HA H 35 4.820 4.429 0.391 1
1 343 . 5 1 1 A 35 35 HIS C C 35 175.945 177.404 -1.459 1
1 344 . 5 1 1 A 35 35 HIS CA C 35 55.340 59.317 -3.977 1
1 345 . 5 1 1 A 35 35 HIS CB C 35 28.562 30.504 -1.942 1
1 348 . 5 1 1 A 35 35 HIS N N 35 117.832 121.000 -3.168 1
1 349 . 5 1 1 A 36 36 THR H H 36 7.768 8.028 -0.260 1
1 350 . 5 1 1 A 36 36 THR HA H 36 4.280 4.169 0.111 1
1 355 . 5 1 1 A 36 36 THR C C 36 175.527 175.515 0.012 1
1 356 . 5 1 1 A 36 36 THR CA C 36 62.599 65.230 -2.631 1
1 357 . 5 1 1 A 36 36 THR CB C 36 69.779 68.375 1.404 1
1 359 . 5 1 1 A 36 36 THR N N 36 111.677 112.918 -1.241 1
1 360 . 5 1 1 A 37 37 GLY H H 37 8.154 7.468 0.686 1
1 361 . 5 1 1 A 37 37 GLY HA2 H 37 3.961 4.078 -0.117 1
1 362 . 5 1 1 A 37 37 GLY HA3 H 37 3.903 4.085 -0.182 1
1 363 . 5 1 1 A 37 37 GLY C C 37 174.033 172.307 1.726 1
1 364 . 5 1 1 A 37 37 GLY CA C 37 45.278 46.060 -0.782 1
1 365 . 5 1 1 A 37 37 GLY N N 37 110.498 108.058 2.440 1
1 366 . 5 1 1 A 38 38 GLU H H 38 8.043 8.922 -0.879 1
1 367 . 5 1 1 A 38 38 GLU HA H 38 4.178 4.990 -0.812 1
1 372 . 5 1 1 A 38 38 GLU C C 38 176.163 175.460 0.703 1
1 373 . 5 1 1 A 38 38 GLU CA C 38 56.461 54.542 1.919 1
1 374 . 5 1 1 A 38 38 GLU CB C 38 30.437 32.824 -2.387 1
1 376 . 5 1 1 A 38 38 GLU N N 38 120.528 125.434 -4.906 1
1 377 . 5 1 1 A 39 39 LYS H H 39 8.342 8.332 0.010 1
1 378 . 5 1 1 A 39 39 LYS HA H 39 4.549 4.267 0.282 1
1 387 . 5 1 1 A 39 39 LYS C C 39 174.171 176.113 -1.942 1
1 388 . 5 1 1 A 39 39 LYS CA C 39 54.043 55.395 -1.352 1
1 389 . 5 1 1 A 39 39 LYS CB C 39 32.451 32.499 -0.048 1
1 393 . 5 1 1 A 39 39 LYS N N 39 123.761 124.559 -0.798 1
1 394 . 5 1 1 A 40 40 PRO HA H 40 4.405 4.531 -0.126 1
1 401 . 5 1 1 A 40 40 PRO CA C 40 63.060 62.720 0.340 1
1 402 . 5 1 1 A 40 40 PRO CB C 40 32.128 32.312 -0.184 1
1 405 . 5 1 1 A 41 41 SER H H 41 8.479 8.483 -0.004 1
1 406 . 5 1 1 A 41 41 SER HA H 41 4.398 4.696 -0.298 1
1 409 . 5 1 1 A 41 41 SER CA C 41 58.288 57.533 0.755 1
1 410 . 5 1 1 A 41 41 SER CB C 41 63.893 61.421 2.472 1
1 411 . 5 1 1 A 41 41 SER N N 41 116.629 118.356 -1.727 1
1 412 . 5 1 1 A 42 42 GLY HA2 H 42 4.040 3.926 0.114 1
1 413 . 5 1 1 A 42 42 GLY HA3 H 42 4.105 3.927 0.178 1
1 414 . 5 1 1 A 42 42 GLY CA C 42 44.637 46.734 -2.097 1
1 415 . 5 1 1 A 43 43 PRO HA H 43 4.407 4.591 -0.184 1
1 422 . 5 1 1 A 43 43 PRO CA C 43 63.220 62.718 0.502 1
1 423 . 5 1 1 A 43 43 PRO CB C 43 32.207 32.307 -0.100 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.966 4.193 -0.227 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.966 4.193 -0.227 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.489 172.332 2.157 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.460 46.248 -0.788 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.117 8.135 -0.018 1
1 6 . 6 1 1 A 8 8 THR HA H 8 4.307 4.084 0.223 1
1 11 . 6 1 1 A 8 8 THR C C 8 175.219 175.433 -0.214 1
1 12 . 6 1 1 A 8 8 THR CA C 8 61.781 63.488 -1.707 1
1 13 . 6 1 1 A 8 8 THR CB C 8 69.794 68.584 1.210 1
1 15 . 6 1 1 A 8 8 THR N N 8 112.800 118.744 -5.944 1
1 16 . 6 1 1 A 9 9 GLY H H 9 8.403 8.841 -0.438 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 3.961 4.118 -0.157 1
1 18 . 6 1 1 A 9 9 GLY HA3 H 9 3.906 4.120 -0.214 1
1 19 . 6 1 1 A 9 9 GLY C C 9 173.986 174.785 -0.799 1
1 20 . 6 1 1 A 9 9 GLY CA C 9 45.291 45.831 -0.540 1
1 21 . 6 1 1 A 9 9 GLY N N 9 110.970 116.271 -5.301 1
1 22 . 6 1 1 A 10 10 GLU H H 10 8.167 8.221 -0.054 1
1 23 . 6 1 1 A 10 10 GLU HA H 10 4.119 4.482 -0.363 1
1 28 . 6 1 1 A 10 10 GLU C C 10 176.245 176.678 -0.433 1
1 29 . 6 1 1 A 10 10 GLU CA C 10 56.761 55.920 0.841 1
1 30 . 6 1 1 A 10 10 GLU CB C 10 30.315 29.975 0.340 1
1 32 . 6 1 1 A 10 10 GLU N N 10 120.318 120.462 -0.144 1
1 33 . 6 1 1 A 11 11 LYS H H 11 8.212 7.262 0.950 1
1 34 . 6 1 1 A 11 11 LYS HA H 11 4.481 4.371 0.110 1
1 43 . 6 1 1 A 11 11 LYS C C 11 174.425 176.414 -1.989 1
1 44 . 6 1 1 A 11 11 LYS CA C 11 53.842 55.196 -1.354 1
1 45 . 6 1 1 A 11 11 LYS CB C 11 33.027 32.172 0.855 1
1 49 . 6 1 1 A 11 11 LYS N N 11 121.767 121.179 0.588 1
1 50 . 6 1 1 A 12 12 PRO HA H 12 4.244 4.340 -0.096 1
1 57 . 6 1 1 A 12 12 PRO C C 12 176.079 175.584 0.495 1
1 58 . 6 1 1 A 12 12 PRO CA C 12 63.283 63.913 -0.630 1
1 59 . 6 1 1 A 12 12 PRO CB C 12 32.187 31.559 0.628 1
1 62 . 6 1 1 A 13 13 TYR H H 13 7.905 7.261 0.644 1
1 63 . 6 1 1 A 13 13 TYR HA H 13 4.586 5.375 -0.789 1
1 70 . 6 1 1 A 13 13 TYR C C 13 174.631 174.412 0.219 1
1 71 . 6 1 1 A 13 13 TYR CA C 13 57.403 56.166 1.237 1
1 72 . 6 1 1 A 13 13 TYR CB C 13 38.592 43.505 -4.913 1
1 77 . 6 1 1 A 13 13 TYR N N 13 118.258 118.845 -0.587 1
1 78 . 6 1 1 A 14 14 ASN H H 14 8.597 9.068 -0.471 1
1 79 . 6 1 1 A 14 14 ASN HA H 14 5.267 5.702 -0.435 1
1 84 . 6 1 1 A 14 14 ASN C C 14 173.616 173.756 -0.140 1
1 85 . 6 1 1 A 14 14 ASN CA C 14 52.533 52.540 -0.007 1
1 86 . 6 1 1 A 14 14 ASN CB C 14 41.443 42.771 -1.328 1
1 87 . 6 1 1 A 14 14 ASN N N 14 120.998 117.808 3.190 1
1 89 . 6 1 1 A 15 15 CYS H H 15 9.170 9.320 -0.150 1
1 90 . 6 1 1 A 15 15 CYS HA H 15 4.549 4.805 -0.256 1
1 93 . 6 1 1 A 15 15 CYS C C 15 177.267 175.761 1.506 1
1 94 . 6 1 1 A 15 15 CYS CA C 15 59.191 58.399 0.792 1
1 95 . 6 1 1 A 15 15 CYS CB C 15 29.553 28.913 0.640 1
1 96 . 6 1 1 A 15 15 CYS N N 15 124.399 121.918 2.481 1
1 97 . 6 1 1 A 16 16 GLU H H 16 9.526 9.173 0.353 1
1 98 . 6 1 1 A 16 16 GLU HA H 16 4.060 4.494 -0.434 1
1 103 . 6 1 1 A 16 16 GLU C C 16 176.879 176.812 0.067 1
1 104 . 6 1 1 A 16 16 GLU CA C 16 58.728 57.050 1.678 1
1 105 . 6 1 1 A 16 16 GLU CB C 16 29.577 29.862 -0.285 1
1 107 . 6 1 1 A 16 16 GLU N N 16 132.063 127.518 4.545 1
1 108 . 6 1 1 A 17 17 GLU H H 17 8.498 8.004 0.494 1
1 109 . 6 1 1 A 17 17 GLU HA H 17 4.116 4.376 -0.260 1
1 114 . 6 1 1 A 17 17 GLU C C 17 177.307 177.840 -0.533 1
1 115 . 6 1 1 A 17 17 GLU CA C 17 58.495 57.119 1.376 1
1 116 . 6 1 1 A 17 17 GLU CB C 17 29.466 30.716 -1.250 1
1 118 . 6 1 1 A 17 17 GLU N N 17 120.260 117.657 2.603 1
1 119 . 6 1 1 A 18 18 CYS H H 18 7.936 8.160 -0.224 1
1 120 . 6 1 1 A 18 18 CYS HA H 18 5.107 4.725 0.382 1
1 123 . 6 1 1 A 18 18 CYS C C 18 176.297 175.517 0.780 1
1 124 . 6 1 1 A 18 18 CYS CA C 18 58.394 59.690 -1.296 1
1 125 . 6 1 1 A 18 18 CYS CB C 18 32.435 29.988 2.447 1
1 126 . 6 1 1 A 18 18 CYS N N 18 114.580 114.964 -0.384 1
1 127 . 6 1 1 A 19 19 GLY H H 19 8.233 8.126 0.107 1
1 128 . 6 1 1 A 19 19 GLY HA2 H 19 3.818 4.087 -0.269 1
1 129 . 6 1 1 A 19 19 GLY HA3 H 19 4.158 4.096 0.062 1
1 130 . 6 1 1 A 19 19 GLY C C 19 174.201 174.323 -0.122 1
1 131 . 6 1 1 A 19 19 GLY CA C 19 46.129 45.330 0.799 1
1 132 . 6 1 1 A 19 19 GLY N N 19 113.640 109.932 3.708 1
1 133 . 6 1 1 A 20 20 LYS H H 20 7.816 7.817 -0.001 1
1 134 . 6 1 1 A 20 20 LYS HA H 20 3.889 4.711 -0.822 1
1 143 . 6 1 1 A 20 20 LYS C C 20 173.338 174.884 -1.546 1
1 144 . 6 1 1 A 20 20 LYS CA C 20 58.071 54.992 3.079 1
1 145 . 6 1 1 A 20 20 LYS CB C 20 33.760 35.197 -1.437 1
1 149 . 6 1 1 A 20 20 LYS N N 20 123.055 120.719 2.336 1
1 150 . 6 1 1 A 21 21 ALA H H 21 7.624 8.409 -0.785 1
1 151 . 6 1 1 A 21 21 ALA HA H 21 5.029 5.717 -0.688 1
1 155 . 6 1 1 A 21 21 ALA C C 21 176.478 175.915 0.563 1
1 156 . 6 1 1 A 21 21 ALA CA C 21 50.590 49.742 0.848 1
1 157 . 6 1 1 A 21 21 ALA CB C 21 22.409 22.794 -0.385 1
1 158 . 6 1 1 A 21 21 ALA N N 21 123.757 125.809 -2.052 1
1 159 . 6 1 1 A 22 22 PHE H H 22 8.570 9.089 -0.519 1
1 160 . 6 1 1 A 22 22 PHE HA H 22 4.696 5.010 -0.314 1
1 168 . 6 1 1 A 22 22 PHE C C 22 175.081 175.699 -0.618 1
1 169 . 6 1 1 A 22 22 PHE CA C 22 57.093 56.694 0.399 1
1 170 . 6 1 1 A 22 22 PHE CB C 22 43.428 43.680 -0.252 1
1 176 . 6 1 1 A 22 22 PHE N N 22 116.997 116.810 0.187 1
1 177 . 6 1 1 A 23 23 ILE H H 23 8.544 8.846 -0.302 1
1 178 . 6 1 1 A 23 23 ILE HA H 23 4.150 4.244 -0.094 1
1 188 . 6 1 1 A 23 23 ILE C C 23 175.250 176.124 -0.874 1
1 189 . 6 1 1 A 23 23 ILE CA C 23 63.146 62.700 0.446 1
1 190 . 6 1 1 A 23 23 ILE CB C 23 38.976 38.800 0.176 1
1 194 . 6 1 1 A 23 23 ILE N N 23 118.524 121.475 -2.951 1
1 195 . 6 1 1 A 24 24 HIS H H 24 7.481 7.993 -0.512 1
1 196 . 6 1 1 A 24 24 HIS HA H 24 4.930 4.925 0.005 1
1 201 . 6 1 1 A 24 24 HIS C C 24 175.914 174.919 0.995 1
1 202 . 6 1 1 A 24 24 HIS CA C 24 54.508 54.409 0.099 1
1 203 . 6 1 1 A 24 24 HIS CB C 24 34.064 32.073 1.991 1
1 206 . 6 1 1 A 24 24 HIS N N 24 115.184 118.081 -2.897 1
1 207 . 6 1 1 A 25 25 ASP H H 25 8.313 8.890 -0.577 1
1 208 . 6 1 1 A 25 25 ASP HA H 25 3.499 3.208 0.291 1
1 210 . 6 1 1 A 25 25 ASP C C 25 178.409 178.072 0.337 1
1 211 . 6 1 1 A 25 25 ASP CA C 25 56.851 56.443 0.408 1
1 212 . 6 1 1 A 25 25 ASP CB C 25 40.476 39.444 1.032 1
1 213 . 6 1 1 A 25 25 ASP N N 25 126.437 122.119 4.318 1
1 214 . 6 1 1 A 26 26 SER H H 26 8.942 8.408 0.534 1
1 215 . 6 1 1 A 26 26 SER HA H 26 3.891 4.078 -0.187 1
1 218 . 6 1 1 A 26 26 SER C C 26 177.293 176.908 0.385 1
1 219 . 6 1 1 A 26 26 SER CA C 26 61.240 61.289 -0.049 1
1 220 . 6 1 1 A 26 26 SER CB C 26 61.426 62.455 -1.029 1
1 221 . 6 1 1 A 26 26 SER N N 26 114.987 114.079 0.908 1
1 222 . 6 1 1 A 27 27 GLN H H 27 6.908 7.951 -1.043 1
1 223 . 6 1 1 A 27 27 GLN HA H 27 3.996 3.966 0.030 1
1 230 . 6 1 1 A 27 27 GLN C C 27 178.844 178.007 0.837 1
1 231 . 6 1 1 A 27 27 GLN CA C 27 57.699 58.904 -1.205 1
1 232 . 6 1 1 A 27 27 GLN CB C 27 28.809 28.358 0.451 1
1 234 . 6 1 1 A 27 27 GLN N N 27 120.797 121.563 -0.766 1
1 236 . 6 1 1 A 28 28 LEU H H 28 6.989 7.532 -0.543 1
1 237 . 6 1 1 A 28 28 LEU HA H 28 3.192 1.920 1.272 1
1 247 . 6 1 1 A 28 28 LEU C C 28 177.795 178.367 -0.572 1
1 248 . 6 1 1 A 28 28 LEU CA C 28 57.807 57.262 0.545 1
1 249 . 6 1 1 A 28 28 LEU CB C 28 40.185 41.162 -0.977 1
1 253 . 6 1 1 A 28 28 LEU N N 28 122.387 121.079 1.308 1
1 254 . 6 1 1 A 29 29 GLN H H 29 8.345 8.475 -0.130 1
1 255 . 6 1 1 A 29 29 GLN HA H 29 3.923 3.809 0.114 1
1 262 . 6 1 1 A 29 29 GLN C C 29 179.092 178.460 0.632 1
1 263 . 6 1 1 A 29 29 GLN CA C 29 58.757 59.096 -0.339 1
1 264 . 6 1 1 A 29 29 GLN CB C 29 27.751 28.185 -0.434 1
1 266 . 6 1 1 A 29 29 GLN N N 29 117.492 117.899 -0.407 1
1 268 . 6 1 1 A 30 30 GLU H H 30 7.420 8.087 -0.667 1
1 269 . 6 1 1 A 30 30 GLU HA H 30 3.885 4.095 -0.210 1
1 274 . 6 1 1 A 30 30 GLU C C 30 178.747 178.598 0.149 1
1 275 . 6 1 1 A 30 30 GLU CA C 30 58.958 58.416 0.542 1
1 276 . 6 1 1 A 30 30 GLU CB C 30 29.563 29.463 0.100 1
1 278 . 6 1 1 A 30 30 GLU N N 30 118.075 118.731 -0.656 1
1 279 . 6 1 1 A 31 31 HIS H H 31 7.602 8.121 -0.519 1
1 280 . 6 1 1 A 31 31 HIS HA H 31 4.116 4.400 -0.284 1
1 285 . 6 1 1 A 31 31 HIS C C 31 176.263 177.026 -0.763 1
1 286 . 6 1 1 A 31 31 HIS CA C 31 59.038 58.415 0.623 1
1 287 . 6 1 1 A 31 31 HIS CB C 31 28.559 30.599 -2.040 1
1 290 . 6 1 1 A 31 31 HIS N N 31 119.104 119.843 -0.739 1
1 291 . 6 1 1 A 32 32 GLN H H 32 8.297 8.534 -0.237 1
1 292 . 6 1 1 A 32 32 GLN HA H 32 3.646 3.901 -0.255 1
1 299 . 6 1 1 A 32 32 GLN C C 32 177.393 178.370 -0.977 1
1 300 . 6 1 1 A 32 32 GLN CA C 32 59.179 59.042 0.137 1
1 301 . 6 1 1 A 32 32 GLN CB C 32 28.076 28.190 -0.114 1
1 303 . 6 1 1 A 32 32 GLN N N 32 115.048 118.196 -3.148 1
1 305 . 6 1 1 A 33 33 ARG H H 33 7.093 8.110 -1.017 1
1 306 . 6 1 1 A 33 33 ARG HA H 33 4.062 4.052 0.010 1
1 313 . 6 1 1 A 33 33 ARG C C 33 178.632 177.808 0.824 1
1 314 . 6 1 1 A 33 33 ARG CA C 33 58.740 58.749 -0.009 1
1 315 . 6 1 1 A 33 33 ARG CB C 33 30.018 29.801 0.217 1
1 318 . 6 1 1 A 33 33 ARG N N 33 117.429 118.037 -0.608 1
1 319 . 6 1 1 A 34 34 ILE H H 34 7.742 7.933 -0.191 1
1 320 . 6 1 1 A 34 34 ILE HA H 34 3.907 3.697 0.210 1
1 330 . 6 1 1 A 34 34 ILE C C 34 177.477 177.505 -0.028 1
1 331 . 6 1 1 A 34 34 ILE CA C 34 62.981 63.872 -0.891 1
1 332 . 6 1 1 A 34 34 ILE CB C 34 37.561 37.157 0.404 1
1 336 . 6 1 1 A 34 34 ILE N N 34 116.287 116.065 0.222 1
1 337 . 6 1 1 A 35 35 HIS H H 35 7.154 7.328 -0.174 1
1 338 . 6 1 1 A 35 35 HIS HA H 35 4.820 4.315 0.505 1
1 343 . 6 1 1 A 35 35 HIS C C 35 175.945 176.082 -0.137 1
1 344 . 6 1 1 A 35 35 HIS CA C 35 55.340 59.300 -3.960 1
1 345 . 6 1 1 A 35 35 HIS CB C 35 28.562 30.732 -2.170 1
1 348 . 6 1 1 A 35 35 HIS N N 35 117.832 119.669 -1.837 1
1 349 . 6 1 1 A 36 36 THR H H 36 7.768 7.776 -0.008 1
1 350 . 6 1 1 A 36 36 THR HA H 36 4.280 4.322 -0.042 1
1 355 . 6 1 1 A 36 36 THR C C 36 175.527 174.148 1.379 1
1 356 . 6 1 1 A 36 36 THR CA C 36 62.599 61.294 1.305 1
1 357 . 6 1 1 A 36 36 THR CB C 36 69.779 68.160 1.619 1
1 359 . 6 1 1 A 36 36 THR N N 36 111.677 107.916 3.761 1
1 360 . 6 1 1 A 37 37 GLY H H 37 8.154 8.280 -0.126 1
1 361 . 6 1 1 A 37 37 GLY HA2 H 37 3.961 4.292 -0.331 1
1 362 . 6 1 1 A 37 37 GLY HA3 H 37 3.903 4.293 -0.390 1
1 363 . 6 1 1 A 37 37 GLY C C 37 174.033 171.732 2.301 1
1 364 . 6 1 1 A 37 37 GLY CA C 37 45.278 44.303 0.975 1
1 365 . 6 1 1 A 37 37 GLY N N 37 110.498 111.617 -1.119 1
1 366 . 6 1 1 A 38 38 GLU H H 38 8.043 8.713 -0.670 1
1 367 . 6 1 1 A 38 38 GLU HA H 38 4.178 4.702 -0.524 1
1 372 . 6 1 1 A 38 38 GLU C C 38 176.163 175.255 0.908 1
1 373 . 6 1 1 A 38 38 GLU CA C 38 56.461 55.481 0.980 1
1 374 . 6 1 1 A 38 38 GLU CB C 38 30.437 29.698 0.739 1
1 376 . 6 1 1 A 38 38 GLU N N 38 120.528 119.834 0.694 1
1 377 . 6 1 1 A 39 39 LYS H H 39 8.342 8.460 -0.118 1
1 378 . 6 1 1 A 39 39 LYS HA H 39 4.549 4.638 -0.089 1
1 387 . 6 1 1 A 39 39 LYS C C 39 174.171 174.790 -0.619 1
1 388 . 6 1 1 A 39 39 LYS CA C 39 54.043 53.928 0.115 1
1 389 . 6 1 1 A 39 39 LYS CB C 39 32.451 31.828 0.623 1
1 393 . 6 1 1 A 39 39 LYS N N 39 123.761 125.393 -1.632 1
1 394 . 6 1 1 A 40 40 PRO HA H 40 4.405 4.659 -0.254 1
1 401 . 6 1 1 A 40 40 PRO CA C 40 63.060 62.289 0.771 1
1 402 . 6 1 1 A 40 40 PRO CB C 40 32.128 33.347 -1.219 1
1 405 . 6 1 1 A 41 41 SER H H 41 8.479 8.476 0.003 1
1 406 . 6 1 1 A 41 41 SER HA H 41 4.398 4.194 0.204 1
1 409 . 6 1 1 A 41 41 SER CA C 41 58.288 59.679 -1.391 1
1 410 . 6 1 1 A 41 41 SER CB C 41 63.893 63.953 -0.060 1
1 411 . 6 1 1 A 41 41 SER N N 41 116.629 115.093 1.536 1
1 412 . 6 1 1 A 42 42 GLY HA2 H 42 4.040 4.122 -0.082 1
1 413 . 6 1 1 A 42 42 GLY HA3 H 42 4.105 4.124 -0.019 1
1 414 . 6 1 1 A 42 42 GLY CA C 42 44.637 45.500 -0.863 1
1 415 . 6 1 1 A 43 43 PRO HA H 43 4.407 4.418 -0.011 1
1 422 . 6 1 1 A 43 43 PRO CA C 43 63.220 63.517 -0.297 1
1 423 . 6 1 1 A 43 43 PRO CB C 43 32.207 31.950 0.257 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.966 3.908 0.058 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.966 3.909 0.057 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.489 175.061 -0.572 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.460 46.832 -1.372 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.117 7.991 0.126 1
1 6 . 7 1 1 A 8 8 THR HA H 8 4.307 4.171 0.136 1
1 11 . 7 1 1 A 8 8 THR C C 8 175.219 175.171 0.048 1
1 12 . 7 1 1 A 8 8 THR CA C 8 61.781 65.934 -4.153 1
1 13 . 7 1 1 A 8 8 THR CB C 8 69.794 69.548 0.246 1
1 15 . 7 1 1 A 8 8 THR N N 8 112.800 111.495 1.305 1
1 16 . 7 1 1 A 9 9 GLY H H 9 8.403 7.887 0.516 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 3.961 4.071 -0.110 1
1 18 . 7 1 1 A 9 9 GLY HA3 H 9 3.906 4.073 -0.167 1
1 19 . 7 1 1 A 9 9 GLY C C 9 173.986 173.299 0.687 1
1 20 . 7 1 1 A 9 9 GLY CA C 9 45.291 45.715 -0.424 1
1 21 . 7 1 1 A 9 9 GLY N N 9 110.970 106.760 4.210 1
1 22 . 7 1 1 A 10 10 GLU H H 10 8.167 8.667 -0.500 1
1 23 . 7 1 1 A 10 10 GLU HA H 10 4.119 4.287 -0.168 1
1 28 . 7 1 1 A 10 10 GLU C C 10 176.245 176.614 -0.369 1
1 29 . 7 1 1 A 10 10 GLU CA C 10 56.761 56.216 0.545 1
1 30 . 7 1 1 A 10 10 GLU CB C 10 30.315 30.178 0.137 1
1 32 . 7 1 1 A 10 10 GLU N N 10 120.318 126.234 -5.916 1
1 33 . 7 1 1 A 11 11 LYS H H 11 8.212 8.466 -0.254 1
1 34 . 7 1 1 A 11 11 LYS HA H 11 4.481 4.250 0.231 1
1 43 . 7 1 1 A 11 11 LYS C C 11 174.425 176.387 -1.962 1
1 44 . 7 1 1 A 11 11 LYS CA C 11 53.842 55.141 -1.299 1
1 45 . 7 1 1 A 11 11 LYS CB C 11 33.027 32.218 0.809 1
1 49 . 7 1 1 A 11 11 LYS N N 11 121.767 123.549 -1.782 1
1 50 . 7 1 1 A 12 12 PRO HA H 12 4.244 4.335 -0.091 1
1 57 . 7 1 1 A 12 12 PRO C C 12 176.079 175.581 0.498 1
1 58 . 7 1 1 A 12 12 PRO CA C 12 63.283 63.913 -0.630 1
1 59 . 7 1 1 A 12 12 PRO CB C 12 32.187 31.572 0.615 1
1 62 . 7 1 1 A 13 13 TYR H H 13 7.905 7.193 0.712 1
1 63 . 7 1 1 A 13 13 TYR HA H 13 4.586 5.351 -0.765 1
1 70 . 7 1 1 A 13 13 TYR C C 13 174.631 174.268 0.363 1
1 71 . 7 1 1 A 13 13 TYR CA C 13 57.403 56.179 1.224 1
1 72 . 7 1 1 A 13 13 TYR CB C 13 38.592 43.567 -4.975 1
1 77 . 7 1 1 A 13 13 TYR N N 13 118.258 118.717 -0.459 1
1 78 . 7 1 1 A 14 14 ASN H H 14 8.597 9.200 -0.603 1
1 79 . 7 1 1 A 14 14 ASN HA H 14 5.267 5.681 -0.414 1
1 84 . 7 1 1 A 14 14 ASN C C 14 173.616 173.265 0.351 1
1 85 . 7 1 1 A 14 14 ASN CA C 14 52.533 52.302 0.231 1
1 86 . 7 1 1 A 14 14 ASN CB C 14 41.443 43.092 -1.649 1
1 87 . 7 1 1 A 14 14 ASN N N 14 120.998 117.860 3.138 1
1 89 . 7 1 1 A 15 15 CYS H H 15 9.170 8.584 0.586 1
1 90 . 7 1 1 A 15 15 CYS HA H 15 4.549 5.037 -0.488 1
1 93 . 7 1 1 A 15 15 CYS C C 15 177.267 175.721 1.546 1
1 94 . 7 1 1 A 15 15 CYS CA C 15 59.191 57.193 1.998 1
1 95 . 7 1 1 A 15 15 CYS CB C 15 29.553 30.249 -0.696 1
1 96 . 7 1 1 A 15 15 CYS N N 15 124.399 119.759 4.640 1
1 97 . 7 1 1 A 16 16 GLU H H 16 9.526 9.118 0.408 1
1 98 . 7 1 1 A 16 16 GLU HA H 16 4.060 4.198 -0.138 1
1 103 . 7 1 1 A 16 16 GLU C C 16 176.879 178.594 -1.715 1
1 104 . 7 1 1 A 16 16 GLU CA C 16 58.728 58.682 0.046 1
1 105 . 7 1 1 A 16 16 GLU CB C 16 29.577 29.571 0.006 1
1 107 . 7 1 1 A 16 16 GLU N N 16 132.063 127.669 4.394 1
1 108 . 7 1 1 A 17 17 GLU H H 17 8.498 7.810 0.688 1
1 109 . 7 1 1 A 17 17 GLU HA H 17 4.116 3.988 0.128 1
1 114 . 7 1 1 A 17 17 GLU C C 17 177.307 177.930 -0.623 1
1 115 . 7 1 1 A 17 17 GLU CA C 17 58.495 58.781 -0.286 1
1 116 . 7 1 1 A 17 17 GLU CB C 17 29.466 29.360 0.106 1
1 118 . 7 1 1 A 17 17 GLU N N 17 120.260 119.308 0.952 1
1 119 . 7 1 1 A 18 18 CYS H H 18 7.936 7.933 0.003 1
1 120 . 7 1 1 A 18 18 CYS HA H 18 5.107 4.727 0.380 1
1 123 . 7 1 1 A 18 18 CYS C C 18 176.297 175.466 0.831 1
1 124 . 7 1 1 A 18 18 CYS CA C 18 58.394 59.829 -1.435 1
1 125 . 7 1 1 A 18 18 CYS CB C 18 32.435 29.903 2.532 1
1 126 . 7 1 1 A 18 18 CYS N N 18 114.580 114.966 -0.386 1
1 127 . 7 1 1 A 19 19 GLY H H 19 8.233 8.111 0.122 1
1 128 . 7 1 1 A 19 19 GLY HA2 H 19 3.818 4.078 -0.260 1
1 129 . 7 1 1 A 19 19 GLY HA3 H 19 4.158 4.088 0.070 1
1 130 . 7 1 1 A 19 19 GLY C C 19 174.201 174.233 -0.032 1
1 131 . 7 1 1 A 19 19 GLY CA C 19 46.129 45.199 0.930 1
1 132 . 7 1 1 A 19 19 GLY N N 19 113.640 110.005 3.635 1
1 133 . 7 1 1 A 20 20 LYS H H 20 7.816 7.940 -0.124 1
1 134 . 7 1 1 A 20 20 LYS HA H 20 3.889 4.513 -0.624 1
1 143 . 7 1 1 A 20 20 LYS C C 20 173.338 175.697 -2.359 1
1 144 . 7 1 1 A 20 20 LYS CA C 20 58.071 54.791 3.280 1
1 145 . 7 1 1 A 20 20 LYS CB C 20 33.760 33.805 -0.045 1
1 149 . 7 1 1 A 20 20 LYS N N 20 123.055 121.713 1.342 1
1 150 . 7 1 1 A 21 21 ALA H H 21 7.624 8.378 -0.754 1
1 151 . 7 1 1 A 21 21 ALA HA H 21 5.029 4.790 0.239 1
1 155 . 7 1 1 A 21 21 ALA C C 21 176.478 176.753 -0.275 1
1 156 . 7 1 1 A 21 21 ALA CA C 21 50.590 51.891 -1.301 1
1 157 . 7 1 1 A 21 21 ALA CB C 21 22.409 20.139 2.270 1
1 158 . 7 1 1 A 21 21 ALA N N 21 123.757 129.256 -5.499 1
1 159 . 7 1 1 A 22 22 PHE H H 22 8.570 9.030 -0.460 1
1 160 . 7 1 1 A 22 22 PHE HA H 22 4.696 5.036 -0.340 1
1 168 . 7 1 1 A 22 22 PHE C C 22 175.081 175.635 -0.554 1
1 169 . 7 1 1 A 22 22 PHE CA C 22 57.093 56.536 0.557 1
1 170 . 7 1 1 A 22 22 PHE CB C 22 43.428 43.799 -0.371 1
1 176 . 7 1 1 A 22 22 PHE N N 22 116.997 117.470 -0.473 1
1 177 . 7 1 1 A 23 23 ILE H H 23 8.544 8.786 -0.242 1
1 178 . 7 1 1 A 23 23 ILE HA H 23 4.150 4.151 -0.001 1
1 188 . 7 1 1 A 23 23 ILE C C 23 175.250 176.000 -0.750 1
1 189 . 7 1 1 A 23 23 ILE CA C 23 63.146 62.562 0.584 1
1 190 . 7 1 1 A 23 23 ILE CB C 23 38.976 38.535 0.441 1
1 194 . 7 1 1 A 23 23 ILE N N 23 118.524 120.630 -2.106 1
1 195 . 7 1 1 A 24 24 HIS H H 24 7.481 8.204 -0.723 1
1 196 . 7 1 1 A 24 24 HIS HA H 24 4.930 4.975 -0.045 1
1 201 . 7 1 1 A 24 24 HIS C C 24 175.914 174.998 0.916 1
1 202 . 7 1 1 A 24 24 HIS CA C 24 54.508 54.489 0.019 1
1 203 . 7 1 1 A 24 24 HIS CB C 24 34.064 32.397 1.667 1
1 206 . 7 1 1 A 24 24 HIS N N 24 115.184 117.522 -2.338 1
1 207 . 7 1 1 A 25 25 ASP H H 25 8.313 8.977 -0.664 1
1 208 . 7 1 1 A 25 25 ASP HA H 25 3.499 3.276 0.223 1
1 210 . 7 1 1 A 25 25 ASP C C 25 178.409 178.030 0.379 1
1 211 . 7 1 1 A 25 25 ASP CA C 25 56.851 56.477 0.374 1
1 212 . 7 1 1 A 25 25 ASP CB C 25 40.476 39.586 0.890 1
1 213 . 7 1 1 A 25 25 ASP N N 25 126.437 121.915 4.522 1
1 214 . 7 1 1 A 26 26 SER H H 26 8.942 8.412 0.530 1
1 215 . 7 1 1 A 26 26 SER HA H 26 3.891 4.157 -0.266 1
1 218 . 7 1 1 A 26 26 SER C C 26 177.293 177.202 0.091 1
1 219 . 7 1 1 A 26 26 SER CA C 26 61.240 61.410 -0.170 1
1 220 . 7 1 1 A 26 26 SER CB C 26 61.426 62.715 -1.289 1
1 221 . 7 1 1 A 26 26 SER N N 26 114.987 113.897 1.090 1
1 222 . 7 1 1 A 27 27 GLN H H 27 6.908 7.640 -0.732 1
1 223 . 7 1 1 A 27 27 GLN HA H 27 3.996 4.028 -0.032 1
1 230 . 7 1 1 A 27 27 GLN C C 27 178.844 178.190 0.654 1
1 231 . 7 1 1 A 27 27 GLN CA C 27 57.699 58.672 -0.973 1
1 232 . 7 1 1 A 27 27 GLN CB C 27 28.809 28.435 0.374 1
1 234 . 7 1 1 A 27 27 GLN N N 27 120.797 121.871 -1.074 1
1 236 . 7 1 1 A 28 28 LEU H H 28 6.989 7.748 -0.759 1
1 237 . 7 1 1 A 28 28 LEU HA H 28 3.192 2.446 0.746 1
1 247 . 7 1 1 A 28 28 LEU C C 28 177.795 178.783 -0.988 1
1 248 . 7 1 1 A 28 28 LEU CA C 28 57.807 57.097 0.710 1
1 249 . 7 1 1 A 28 28 LEU CB C 28 40.185 41.194 -1.009 1
1 253 . 7 1 1 A 28 28 LEU N N 28 122.387 120.511 1.876 1
1 254 . 7 1 1 A 29 29 GLN H H 29 8.345 8.495 -0.150 1
1 255 . 7 1 1 A 29 29 GLN HA H 29 3.923 3.838 0.085 1
1 262 . 7 1 1 A 29 29 GLN C C 29 179.092 178.504 0.588 1
1 263 . 7 1 1 A 29 29 GLN CA C 29 58.757 59.143 -0.386 1
1 264 . 7 1 1 A 29 29 GLN CB C 29 27.751 28.376 -0.625 1
1 266 . 7 1 1 A 29 29 GLN N N 29 117.492 117.925 -0.433 1
1 268 . 7 1 1 A 30 30 GLU H H 30 7.420 7.766 -0.346 1
1 269 . 7 1 1 A 30 30 GLU HA H 30 3.885 4.086 -0.201 1
1 274 . 7 1 1 A 30 30 GLU C C 30 178.747 178.582 0.165 1
1 275 . 7 1 1 A 30 30 GLU CA C 30 58.958 58.452 0.506 1
1 276 . 7 1 1 A 30 30 GLU CB C 30 29.563 29.501 0.062 1
1 278 . 7 1 1 A 30 30 GLU N N 30 118.075 119.089 -1.014 1
1 279 . 7 1 1 A 31 31 HIS H H 31 7.602 8.024 -0.422 1
1 280 . 7 1 1 A 31 31 HIS HA H 31 4.116 4.379 -0.263 1
1 285 . 7 1 1 A 31 31 HIS C C 31 176.263 177.085 -0.822 1
1 286 . 7 1 1 A 31 31 HIS CA C 31 59.038 58.724 0.314 1
1 287 . 7 1 1 A 31 31 HIS CB C 31 28.559 30.524 -1.965 1
1 290 . 7 1 1 A 31 31 HIS N N 31 119.104 119.809 -0.705 1
1 291 . 7 1 1 A 32 32 GLN H H 32 8.297 8.482 -0.185 1
1 292 . 7 1 1 A 32 32 GLN HA H 32 3.646 3.834 -0.188 1
1 299 . 7 1 1 A 32 32 GLN C C 32 177.393 178.546 -1.153 1
1 300 . 7 1 1 A 32 32 GLN CA C 32 59.179 59.102 0.077 1
1 301 . 7 1 1 A 32 32 GLN CB C 32 28.076 28.191 -0.115 1
1 303 . 7 1 1 A 32 32 GLN N N 32 115.048 118.315 -3.267 1
1 305 . 7 1 1 A 33 33 ARG H H 33 7.093 7.720 -0.627 1
1 306 . 7 1 1 A 33 33 ARG HA H 33 4.062 4.093 -0.031 1
1 313 . 7 1 1 A 33 33 ARG C C 33 178.632 177.801 0.831 1
1 314 . 7 1 1 A 33 33 ARG CA C 33 58.740 58.608 0.132 1
1 315 . 7 1 1 A 33 33 ARG CB C 33 30.018 29.517 0.501 1
1 318 . 7 1 1 A 33 33 ARG N N 33 117.429 117.711 -0.282 1
1 319 . 7 1 1 A 34 34 ILE H H 34 7.742 7.784 -0.042 1
1 320 . 7 1 1 A 34 34 ILE HA H 34 3.907 3.741 0.166 1
1 330 . 7 1 1 A 34 34 ILE C C 34 177.477 178.029 -0.552 1
1 331 . 7 1 1 A 34 34 ILE CA C 34 62.981 64.279 -1.298 1
1 332 . 7 1 1 A 34 34 ILE CB C 34 37.561 37.206 0.355 1
1 336 . 7 1 1 A 34 34 ILE N N 34 116.287 116.133 0.154 1
1 337 . 7 1 1 A 35 35 HIS H H 35 7.154 7.600 -0.446 1
1 338 . 7 1 1 A 35 35 HIS HA H 35 4.820 4.311 0.509 1
1 343 . 7 1 1 A 35 35 HIS C C 35 175.945 178.128 -2.183 1
1 344 . 7 1 1 A 35 35 HIS CA C 35 55.340 60.011 -4.671 1
1 345 . 7 1 1 A 35 35 HIS CB C 35 28.562 29.951 -1.389 1
1 348 . 7 1 1 A 35 35 HIS N N 35 117.832 121.208 -3.376 1
1 349 . 7 1 1 A 36 36 THR H H 36 7.768 8.108 -0.340 1
1 350 . 7 1 1 A 36 36 THR HA H 36 4.280 4.042 0.238 1
1 355 . 7 1 1 A 36 36 THR C C 36 175.527 177.014 -1.487 1
1 356 . 7 1 1 A 36 36 THR CA C 36 62.599 65.375 -2.776 1
1 357 . 7 1 1 A 36 36 THR CB C 36 69.779 68.193 1.586 1
1 359 . 7 1 1 A 36 36 THR N N 36 111.677 113.663 -1.986 1
1 360 . 7 1 1 A 37 37 GLY H H 37 8.154 8.127 0.027 1
1 361 . 7 1 1 A 37 37 GLY HA2 H 37 3.961 3.672 0.289 1
1 362 . 7 1 1 A 37 37 GLY HA3 H 37 3.903 3.682 0.221 1
1 363 . 7 1 1 A 37 37 GLY C C 37 174.033 175.531 -1.498 1
1 364 . 7 1 1 A 37 37 GLY CA C 37 45.278 47.190 -1.912 1
1 365 . 7 1 1 A 37 37 GLY N N 37 110.498 110.662 -0.164 1
1 366 . 7 1 1 A 38 38 GLU H H 38 8.043 7.896 0.147 1
1 367 . 7 1 1 A 38 38 GLU HA H 38 4.178 4.326 -0.148 1
1 372 . 7 1 1 A 38 38 GLU C C 38 176.163 176.106 0.057 1
1 373 . 7 1 1 A 38 38 GLU CA C 38 56.461 56.784 -0.323 1
1 374 . 7 1 1 A 38 38 GLU CB C 38 30.437 30.299 0.138 1
1 376 . 7 1 1 A 38 38 GLU N N 38 120.528 119.398 1.130 1
1 377 . 7 1 1 A 39 39 LYS H H 39 8.342 8.716 -0.374 1
1 378 . 7 1 1 A 39 39 LYS HA H 39 4.549 5.051 -0.502 1
1 387 . 7 1 1 A 39 39 LYS C C 39 174.171 175.051 -0.880 1
1 388 . 7 1 1 A 39 39 LYS CA C 39 54.043 53.340 0.703 1
1 389 . 7 1 1 A 39 39 LYS CB C 39 32.451 35.210 -2.759 1
1 393 . 7 1 1 A 39 39 LYS N N 39 123.761 120.861 2.900 1
1 394 . 7 1 1 A 40 40 PRO HA H 40 4.405 4.597 -0.192 1
1 401 . 7 1 1 A 40 40 PRO CA C 40 63.060 62.290 0.770 1
1 402 . 7 1 1 A 40 40 PRO CB C 40 32.128 33.312 -1.184 1
1 405 . 7 1 1 A 41 41 SER H H 41 8.479 8.832 -0.353 1
1 406 . 7 1 1 A 41 41 SER HA H 41 4.398 4.140 0.258 1
1 409 . 7 1 1 A 41 41 SER CA C 41 58.288 61.690 -3.402 1
1 410 . 7 1 1 A 41 41 SER CB C 41 63.893 63.206 0.687 1
1 411 . 7 1 1 A 41 41 SER N N 41 116.629 115.823 0.806 1
1 412 . 7 1 1 A 42 42 GLY HA2 H 42 4.040 4.270 -0.230 1
1 413 . 7 1 1 A 42 42 GLY HA3 H 42 4.105 4.270 -0.165 1
1 414 . 7 1 1 A 42 42 GLY CA C 42 44.637 45.707 -1.070 1
1 415 . 7 1 1 A 43 43 PRO HA H 43 4.407 4.479 -0.072 1
1 422 . 7 1 1 A 43 43 PRO CA C 43 63.220 64.735 -1.515 1
1 423 . 7 1 1 A 43 43 PRO CB C 43 32.207 32.054 0.153 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.966 4.342 -0.376 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.966 4.344 -0.378 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.489 175.408 -0.919 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.460 43.686 1.774 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.117 8.454 -0.337 1
1 6 . 8 1 1 A 8 8 THR HA H 8 4.307 4.006 0.301 1
1 11 . 8 1 1 A 8 8 THR C C 8 175.219 174.461 0.758 1
1 12 . 8 1 1 A 8 8 THR CA C 8 61.781 65.459 -3.678 1
1 13 . 8 1 1 A 8 8 THR CB C 8 69.794 69.269 0.525 1
1 15 . 8 1 1 A 8 8 THR N N 8 112.800 113.610 -0.810 1
1 16 . 8 1 1 A 9 9 GLY H H 9 8.403 7.722 0.681 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 3.961 4.071 -0.110 1
1 18 . 8 1 1 A 9 9 GLY HA3 H 9 3.906 4.073 -0.167 1
1 19 . 8 1 1 A 9 9 GLY C C 9 173.986 171.965 2.021 1
1 20 . 8 1 1 A 9 9 GLY CA C 9 45.291 45.233 0.058 1
1 21 . 8 1 1 A 9 9 GLY N N 9 110.970 107.645 3.325 1
1 22 . 8 1 1 A 10 10 GLU H H 10 8.167 8.530 -0.363 1
1 23 . 8 1 1 A 10 10 GLU HA H 10 4.119 5.058 -0.939 1
1 28 . 8 1 1 A 10 10 GLU C C 10 176.245 175.392 0.853 1
1 29 . 8 1 1 A 10 10 GLU CA C 10 56.761 54.803 1.958 1
1 30 . 8 1 1 A 10 10 GLU CB C 10 30.315 33.344 -3.029 1
1 32 . 8 1 1 A 10 10 GLU N N 10 120.318 121.505 -1.187 1
1 33 . 8 1 1 A 11 11 LYS H H 11 8.212 8.645 -0.433 1
1 34 . 8 1 1 A 11 11 LYS HA H 11 4.481 4.388 0.093 1
1 43 . 8 1 1 A 11 11 LYS C C 11 174.425 176.544 -2.119 1
1 44 . 8 1 1 A 11 11 LYS CA C 11 53.842 54.517 -0.675 1
1 45 . 8 1 1 A 11 11 LYS CB C 11 33.027 32.507 0.520 1
1 49 . 8 1 1 A 11 11 LYS N N 11 121.767 126.278 -4.511 1
1 50 . 8 1 1 A 12 12 PRO HA H 12 4.244 4.371 -0.127 1
1 57 . 8 1 1 A 12 12 PRO C C 12 176.079 175.584 0.495 1
1 58 . 8 1 1 A 12 12 PRO CA C 12 63.283 63.905 -0.622 1
1 59 . 8 1 1 A 12 12 PRO CB C 12 32.187 31.451 0.736 1
1 62 . 8 1 1 A 13 13 TYR H H 13 7.905 7.205 0.700 1
1 63 . 8 1 1 A 13 13 TYR HA H 13 4.586 5.379 -0.793 1
1 70 . 8 1 1 A 13 13 TYR C C 13 174.631 174.466 0.165 1
1 71 . 8 1 1 A 13 13 TYR CA C 13 57.403 56.097 1.306 1
1 72 . 8 1 1 A 13 13 TYR CB C 13 38.592 43.219 -4.627 1
1 77 . 8 1 1 A 13 13 TYR N N 13 118.258 118.908 -0.650 1
1 78 . 8 1 1 A 14 14 ASN H H 14 8.597 9.115 -0.518 1
1 79 . 8 1 1 A 14 14 ASN HA H 14 5.267 5.702 -0.435 1
1 84 . 8 1 1 A 14 14 ASN C C 14 173.616 173.174 0.442 1
1 85 . 8 1 1 A 14 14 ASN CA C 14 52.533 52.481 0.052 1
1 86 . 8 1 1 A 14 14 ASN CB C 14 41.443 42.638 -1.195 1
1 87 . 8 1 1 A 14 14 ASN N N 14 120.998 117.865 3.133 1
1 89 . 8 1 1 A 15 15 CYS H H 15 9.170 8.713 0.457 1
1 90 . 8 1 1 A 15 15 CYS HA H 15 4.549 4.828 -0.279 1
1 93 . 8 1 1 A 15 15 CYS C C 15 177.267 175.959 1.308 1
1 94 . 8 1 1 A 15 15 CYS CA C 15 59.191 57.938 1.253 1
1 95 . 8 1 1 A 15 15 CYS CB C 15 29.553 28.826 0.727 1
1 96 . 8 1 1 A 15 15 CYS N N 15 124.399 121.318 3.081 1
1 97 . 8 1 1 A 16 16 GLU H H 16 9.526 9.122 0.404 1
1 98 . 8 1 1 A 16 16 GLU HA H 16 4.060 4.187 -0.127 1
1 103 . 8 1 1 A 16 16 GLU C C 16 176.879 178.677 -1.798 1
1 104 . 8 1 1 A 16 16 GLU CA C 16 58.728 58.860 -0.132 1
1 105 . 8 1 1 A 16 16 GLU CB C 16 29.577 29.361 0.216 1
1 107 . 8 1 1 A 16 16 GLU N N 16 132.063 127.495 4.568 1
1 108 . 8 1 1 A 17 17 GLU H H 17 8.498 7.860 0.638 1
1 109 . 8 1 1 A 17 17 GLU HA H 17 4.116 3.996 0.120 1
1 114 . 8 1 1 A 17 17 GLU C C 17 177.307 178.081 -0.774 1
1 115 . 8 1 1 A 17 17 GLU CA C 17 58.495 58.734 -0.239 1
1 116 . 8 1 1 A 17 17 GLU CB C 17 29.466 29.440 0.026 1
1 118 . 8 1 1 A 17 17 GLU N N 17 120.260 119.407 0.853 1
1 119 . 8 1 1 A 18 18 CYS H H 18 7.936 7.941 -0.005 1
1 120 . 8 1 1 A 18 18 CYS HA H 18 5.107 4.720 0.387 1
1 123 . 8 1 1 A 18 18 CYS C C 18 176.297 175.300 0.997 1
1 124 . 8 1 1 A 18 18 CYS CA C 18 58.394 59.764 -1.370 1
1 125 . 8 1 1 A 18 18 CYS CB C 18 32.435 29.834 2.601 1
1 126 . 8 1 1 A 18 18 CYS N N 18 114.580 115.041 -0.461 1
1 127 . 8 1 1 A 19 19 GLY H H 19 8.233 7.939 0.294 1
1 128 . 8 1 1 A 19 19 GLY HA2 H 19 3.818 4.069 -0.251 1
1 129 . 8 1 1 A 19 19 GLY HA3 H 19 4.158 4.079 0.079 1
1 130 . 8 1 1 A 19 19 GLY C C 19 174.201 174.369 -0.168 1
1 131 . 8 1 1 A 19 19 GLY CA C 19 46.129 45.349 0.780 1
1 132 . 8 1 1 A 19 19 GLY N N 19 113.640 110.129 3.511 1
1 133 . 8 1 1 A 20 20 LYS H H 20 7.816 7.716 0.100 1
1 134 . 8 1 1 A 20 20 LYS HA H 20 3.889 4.484 -0.595 1
1 143 . 8 1 1 A 20 20 LYS C C 20 173.338 175.547 -2.209 1
1 144 . 8 1 1 A 20 20 LYS CA C 20 58.071 54.676 3.395 1
1 145 . 8 1 1 A 20 20 LYS CB C 20 33.760 34.118 -0.358 1
1 149 . 8 1 1 A 20 20 LYS N N 20 123.055 121.031 2.024 1
1 150 . 8 1 1 A 21 21 ALA H H 21 7.624 8.262 -0.638 1
1 151 . 8 1 1 A 21 21 ALA HA H 21 5.029 4.635 0.394 1
1 155 . 8 1 1 A 21 21 ALA C C 21 176.478 176.882 -0.404 1
1 156 . 8 1 1 A 21 21 ALA CA C 21 50.590 52.128 -1.538 1
1 157 . 8 1 1 A 21 21 ALA CB C 21 22.409 19.663 2.746 1
1 158 . 8 1 1 A 21 21 ALA N N 21 123.757 129.108 -5.351 1
1 159 . 8 1 1 A 22 22 PHE H H 22 8.570 9.212 -0.642 1
1 160 . 8 1 1 A 22 22 PHE HA H 22 4.696 4.854 -0.158 1
1 168 . 8 1 1 A 22 22 PHE C C 22 175.081 175.718 -0.637 1
1 169 . 8 1 1 A 22 22 PHE CA C 22 57.093 56.499 0.594 1
1 170 . 8 1 1 A 22 22 PHE CB C 22 43.428 42.811 0.617 1
1 176 . 8 1 1 A 22 22 PHE N N 22 116.997 117.978 -0.981 1
1 177 . 8 1 1 A 23 23 ILE H H 23 8.544 8.662 -0.118 1
1 178 . 8 1 1 A 23 23 ILE HA H 23 4.150 4.175 -0.025 1
1 188 . 8 1 1 A 23 23 ILE C C 23 175.250 176.420 -1.170 1
1 189 . 8 1 1 A 23 23 ILE CA C 23 63.146 62.929 0.217 1
1 190 . 8 1 1 A 23 23 ILE CB C 23 38.976 38.965 0.011 1
1 194 . 8 1 1 A 23 23 ILE N N 23 118.524 122.603 -4.079 1
1 195 . 8 1 1 A 24 24 HIS H H 24 7.481 8.267 -0.786 1
1 196 . 8 1 1 A 24 24 HIS HA H 24 4.930 4.895 0.035 1
1 201 . 8 1 1 A 24 24 HIS C C 24 175.914 174.914 1.000 1
1 202 . 8 1 1 A 24 24 HIS CA C 24 54.508 54.534 -0.026 1
1 203 . 8 1 1 A 24 24 HIS CB C 24 34.064 32.100 1.964 1
1 206 . 8 1 1 A 24 24 HIS N N 24 115.184 118.503 -3.319 1
1 207 . 8 1 1 A 25 25 ASP H H 25 8.313 8.882 -0.569 1
1 208 . 8 1 1 A 25 25 ASP HA H 25 3.499 3.314 0.185 1
1 210 . 8 1 1 A 25 25 ASP C C 25 178.409 177.961 0.448 1
1 211 . 8 1 1 A 25 25 ASP CA C 25 56.851 56.575 0.276 1
1 212 . 8 1 1 A 25 25 ASP CB C 25 40.476 39.611 0.865 1
1 213 . 8 1 1 A 25 25 ASP N N 25 126.437 123.206 3.231 1
1 214 . 8 1 1 A 26 26 SER H H 26 8.942 8.371 0.571 1
1 215 . 8 1 1 A 26 26 SER HA H 26 3.891 4.143 -0.252 1
1 218 . 8 1 1 A 26 26 SER C C 26 177.293 176.949 0.344 1
1 219 . 8 1 1 A 26 26 SER CA C 26 61.240 61.483 -0.243 1
1 220 . 8 1 1 A 26 26 SER CB C 26 61.426 62.557 -1.131 1
1 221 . 8 1 1 A 26 26 SER N N 26 114.987 114.085 0.902 1
1 222 . 8 1 1 A 27 27 GLN H H 27 6.908 7.717 -0.809 1
1 223 . 8 1 1 A 27 27 GLN HA H 27 3.996 3.989 0.007 1
1 230 . 8 1 1 A 27 27 GLN C C 27 178.844 177.981 0.863 1
1 231 . 8 1 1 A 27 27 GLN CA C 27 57.699 58.856 -1.157 1
1 232 . 8 1 1 A 27 27 GLN CB C 27 28.809 28.393 0.416 1
1 234 . 8 1 1 A 27 27 GLN N N 27 120.797 121.621 -0.824 1
1 236 . 8 1 1 A 28 28 LEU H H 28 6.989 7.547 -0.558 1
1 237 . 8 1 1 A 28 28 LEU HA H 28 3.192 1.776 1.416 1
1 247 . 8 1 1 A 28 28 LEU C C 28 177.795 178.241 -0.446 1
1 248 . 8 1 1 A 28 28 LEU CA C 28 57.807 57.380 0.427 1
1 249 . 8 1 1 A 28 28 LEU CB C 28 40.185 41.145 -0.960 1
1 253 . 8 1 1 A 28 28 LEU N N 28 122.387 121.152 1.235 1
1 254 . 8 1 1 A 29 29 GLN H H 29 8.345 8.214 0.131 1
1 255 . 8 1 1 A 29 29 GLN HA H 29 3.923 3.827 0.096 1
1 262 . 8 1 1 A 29 29 GLN C C 29 179.092 178.396 0.696 1
1 263 . 8 1 1 A 29 29 GLN CA C 29 58.757 59.062 -0.305 1
1 264 . 8 1 1 A 29 29 GLN CB C 29 27.751 28.145 -0.394 1
1 266 . 8 1 1 A 29 29 GLN N N 29 117.492 117.482 0.010 1
1 268 . 8 1 1 A 30 30 GLU H H 30 7.420 8.138 -0.718 1
1 269 . 8 1 1 A 30 30 GLU HA H 30 3.885 4.023 -0.138 1
1 274 . 8 1 1 A 30 30 GLU C C 30 178.747 178.668 0.079 1
1 275 . 8 1 1 A 30 30 GLU CA C 30 58.958 58.961 -0.003 1
1 276 . 8 1 1 A 30 30 GLU CB C 30 29.563 29.607 -0.044 1
1 278 . 8 1 1 A 30 30 GLU N N 30 118.075 119.620 -1.545 1
1 279 . 8 1 1 A 31 31 HIS H H 31 7.602 8.088 -0.486 1
1 280 . 8 1 1 A 31 31 HIS HA H 31 4.116 4.218 -0.102 1
1 285 . 8 1 1 A 31 31 HIS C C 31 176.263 176.984 -0.721 1
1 286 . 8 1 1 A 31 31 HIS CA C 31 59.038 58.779 0.259 1
1 287 . 8 1 1 A 31 31 HIS CB C 31 28.559 30.183 -1.624 1
1 290 . 8 1 1 A 31 31 HIS N N 31 119.104 119.872 -0.768 1
1 291 . 8 1 1 A 32 32 GLN H H 32 8.297 8.481 -0.184 1
1 292 . 8 1 1 A 32 32 GLN HA H 32 3.646 3.950 -0.304 1
1 299 . 8 1 1 A 32 32 GLN C C 32 177.393 178.721 -1.328 1
1 300 . 8 1 1 A 32 32 GLN CA C 32 59.179 59.266 -0.087 1
1 301 . 8 1 1 A 32 32 GLN CB C 32 28.076 28.282 -0.206 1
1 303 . 8 1 1 A 32 32 GLN N N 32 115.048 117.607 -2.559 1
1 305 . 8 1 1 A 33 33 ARG H H 33 7.093 7.654 -0.561 1
1 306 . 8 1 1 A 33 33 ARG HA H 33 4.062 3.985 0.077 1
1 313 . 8 1 1 A 33 33 ARG C C 33 178.632 178.760 -0.128 1
1 314 . 8 1 1 A 33 33 ARG CA C 33 58.740 58.907 -0.167 1
1 315 . 8 1 1 A 33 33 ARG CB C 33 30.018 29.860 0.158 1
1 318 . 8 1 1 A 33 33 ARG N N 33 117.429 119.969 -2.540 1
1 319 . 8 1 1 A 34 34 ILE H H 34 7.742 8.053 -0.311 1
1 320 . 8 1 1 A 34 34 ILE HA H 34 3.907 3.726 0.181 1
1 330 . 8 1 1 A 34 34 ILE C C 34 177.477 177.353 0.124 1
1 331 . 8 1 1 A 34 34 ILE CA C 34 62.981 63.745 -0.764 1
1 332 . 8 1 1 A 34 34 ILE CB C 34 37.561 37.252 0.309 1
1 336 . 8 1 1 A 34 34 ILE N N 34 116.287 117.714 -1.427 1
1 337 . 8 1 1 A 35 35 HIS H H 35 7.154 7.784 -0.630 1
1 338 . 8 1 1 A 35 35 HIS HA H 35 4.820 4.422 0.398 1
1 343 . 8 1 1 A 35 35 HIS C C 35 175.945 178.130 -2.185 1
1 344 . 8 1 1 A 35 35 HIS CA C 35 55.340 59.042 -3.702 1
1 345 . 8 1 1 A 35 35 HIS CB C 35 28.562 30.913 -2.351 1
1 348 . 8 1 1 A 35 35 HIS N N 35 117.832 120.468 -2.636 1
1 349 . 8 1 1 A 36 36 THR H H 36 7.768 8.423 -0.655 1
1 350 . 8 1 1 A 36 36 THR HA H 36 4.280 3.976 0.304 1
1 355 . 8 1 1 A 36 36 THR C C 36 175.527 176.803 -1.276 1
1 356 . 8 1 1 A 36 36 THR CA C 36 62.599 65.393 -2.794 1
1 357 . 8 1 1 A 36 36 THR CB C 36 69.779 67.971 1.808 1
1 359 . 8 1 1 A 36 36 THR N N 36 111.677 112.887 -1.210 1
1 360 . 8 1 1 A 37 37 GLY H H 37 8.154 8.505 -0.351 1
1 361 . 8 1 1 A 37 37 GLY HA2 H 37 3.961 3.754 0.207 1
1 362 . 8 1 1 A 37 37 GLY HA3 H 37 3.903 3.765 0.138 1
1 363 . 8 1 1 A 37 37 GLY C C 37 174.033 174.080 -0.047 1
1 364 . 8 1 1 A 37 37 GLY CA C 37 45.278 47.255 -1.977 1
1 365 . 8 1 1 A 37 37 GLY N N 37 110.498 110.835 -0.337 1
1 366 . 8 1 1 A 38 38 GLU H H 38 8.043 7.813 0.230 1
1 367 . 8 1 1 A 38 38 GLU HA H 38 4.178 4.831 -0.653 1
1 372 . 8 1 1 A 38 38 GLU C C 38 176.163 174.081 2.082 1
1 373 . 8 1 1 A 38 38 GLU CA C 38 56.461 54.454 2.007 1
1 374 . 8 1 1 A 38 38 GLU CB C 38 30.437 32.642 -2.205 1
1 376 . 8 1 1 A 38 38 GLU N N 38 120.528 114.055 6.473 1
1 377 . 8 1 1 A 39 39 LYS H H 39 8.342 8.848 -0.506 1
1 378 . 8 1 1 A 39 39 LYS HA H 39 4.549 4.974 -0.425 1
1 387 . 8 1 1 A 39 39 LYS C C 39 174.171 175.460 -1.289 1
1 388 . 8 1 1 A 39 39 LYS CA C 39 54.043 53.058 0.985 1
1 389 . 8 1 1 A 39 39 LYS CB C 39 32.451 35.898 -3.447 1
1 393 . 8 1 1 A 39 39 LYS N N 39 123.761 121.708 2.053 1
1 394 . 8 1 1 A 40 40 PRO HA H 40 4.405 4.577 -0.172 1
1 401 . 8 1 1 A 40 40 PRO CA C 40 63.060 62.361 0.699 1
1 402 . 8 1 1 A 40 40 PRO CB C 40 32.128 33.217 -1.089 1
1 405 . 8 1 1 A 41 41 SER H H 41 8.479 8.738 -0.259 1
1 406 . 8 1 1 A 41 41 SER HA H 41 4.398 4.185 0.213 1
1 409 . 8 1 1 A 41 41 SER CA C 41 58.288 61.340 -3.052 1
1 410 . 8 1 1 A 41 41 SER CB C 41 63.893 62.645 1.248 1
1 411 . 8 1 1 A 41 41 SER N N 41 116.629 115.880 0.749 1
1 412 . 8 1 1 A 42 42 GLY HA2 H 42 4.040 4.363 -0.323 1
1 413 . 8 1 1 A 42 42 GLY HA3 H 42 4.105 4.364 -0.259 1
1 414 . 8 1 1 A 42 42 GLY CA C 42 44.637 45.419 -0.782 1
1 415 . 8 1 1 A 43 43 PRO HA H 43 4.407 4.809 -0.402 1
1 422 . 8 1 1 A 43 43 PRO CA C 43 63.220 62.925 0.295 1
1 423 . 8 1 1 A 43 43 PRO CB C 43 32.207 33.383 -1.176 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.966 3.901 0.065 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.966 3.901 0.065 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.489 174.837 -0.348 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.460 46.425 -0.965 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.117 7.879 0.238 1
1 6 . 9 1 1 A 8 8 THR HA H 8 4.307 3.877 0.430 1
1 11 . 9 1 1 A 8 8 THR C C 8 175.219 176.199 -0.980 1
1 12 . 9 1 1 A 8 8 THR CA C 8 61.781 64.793 -3.012 1
1 13 . 9 1 1 A 8 8 THR CB C 8 69.794 68.494 1.300 1
1 15 . 9 1 1 A 8 8 THR N N 8 112.800 114.747 -1.947 1
1 16 . 9 1 1 A 9 9 GLY H H 9 8.403 8.850 -0.447 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 3.961 3.955 0.006 1
1 18 . 9 1 1 A 9 9 GLY HA3 H 9 3.906 3.955 -0.049 1
1 19 . 9 1 1 A 9 9 GLY C C 9 173.986 173.608 0.378 1
1 20 . 9 1 1 A 9 9 GLY CA C 9 45.291 46.831 -1.540 1
1 21 . 9 1 1 A 9 9 GLY N N 9 110.970 114.503 -3.533 1
1 22 . 9 1 1 A 10 10 GLU H H 10 8.167 7.791 0.376 1
1 23 . 9 1 1 A 10 10 GLU HA H 10 4.119 4.914 -0.795 1
1 28 . 9 1 1 A 10 10 GLU C C 10 176.245 175.222 1.023 1
1 29 . 9 1 1 A 10 10 GLU CA C 10 56.761 54.616 2.145 1
1 30 . 9 1 1 A 10 10 GLU CB C 10 30.315 32.743 -2.428 1
1 32 . 9 1 1 A 10 10 GLU N N 10 120.318 116.900 3.418 1
1 33 . 9 1 1 A 11 11 LYS H H 11 8.212 8.346 -0.134 1
1 34 . 9 1 1 A 11 11 LYS HA H 11 4.481 4.244 0.237 1
1 43 . 9 1 1 A 11 11 LYS C C 11 174.425 176.675 -2.250 1
1 44 . 9 1 1 A 11 11 LYS CA C 11 53.842 55.294 -1.452 1
1 45 . 9 1 1 A 11 11 LYS CB C 11 33.027 32.283 0.744 1
1 49 . 9 1 1 A 11 11 LYS N N 11 121.767 122.209 -0.442 1
1 50 . 9 1 1 A 12 12 PRO HA H 12 4.244 4.376 -0.132 1
1 57 . 9 1 1 A 12 12 PRO C C 12 176.079 175.600 0.479 1
1 58 . 9 1 1 A 12 12 PRO CA C 12 63.283 63.937 -0.654 1
1 59 . 9 1 1 A 12 12 PRO CB C 12 32.187 31.494 0.693 1
1 62 . 9 1 1 A 13 13 TYR H H 13 7.905 7.231 0.674 1
1 63 . 9 1 1 A 13 13 TYR HA H 13 4.586 5.359 -0.773 1
1 70 . 9 1 1 A 13 13 TYR C C 13 174.631 174.656 -0.025 1
1 71 . 9 1 1 A 13 13 TYR CA C 13 57.403 56.289 1.114 1
1 72 . 9 1 1 A 13 13 TYR CB C 13 38.592 43.325 -4.733 1
1 77 . 9 1 1 A 13 13 TYR N N 13 118.258 118.962 -0.704 1
1 78 . 9 1 1 A 14 14 ASN H H 14 8.597 9.084 -0.487 1
1 79 . 9 1 1 A 14 14 ASN HA H 14 5.267 5.742 -0.475 1
1 84 . 9 1 1 A 14 14 ASN C C 14 173.616 173.719 -0.103 1
1 85 . 9 1 1 A 14 14 ASN CA C 14 52.533 52.547 -0.014 1
1 86 . 9 1 1 A 14 14 ASN CB C 14 41.443 42.704 -1.261 1
1 87 . 9 1 1 A 14 14 ASN N N 14 120.998 117.788 3.210 1
1 89 . 9 1 1 A 15 15 CYS H H 15 9.170 9.367 -0.197 1
1 90 . 9 1 1 A 15 15 CYS HA H 15 4.549 4.630 -0.081 1
1 93 . 9 1 1 A 15 15 CYS C C 15 177.267 176.395 0.872 1
1 94 . 9 1 1 A 15 15 CYS CA C 15 59.191 58.984 0.207 1
1 95 . 9 1 1 A 15 15 CYS CB C 15 29.553 28.668 0.885 1
1 96 . 9 1 1 A 15 15 CYS N N 15 124.399 122.291 2.108 1
1 97 . 9 1 1 A 16 16 GLU H H 16 9.526 8.936 0.590 1
1 98 . 9 1 1 A 16 16 GLU HA H 16 4.060 4.118 -0.058 1
1 103 . 9 1 1 A 16 16 GLU C C 16 176.879 178.389 -1.510 1
1 104 . 9 1 1 A 16 16 GLU CA C 16 58.728 58.540 0.188 1
1 105 . 9 1 1 A 16 16 GLU CB C 16 29.577 28.874 0.703 1
1 107 . 9 1 1 A 16 16 GLU N N 16 132.063 126.442 5.621 1
1 108 . 9 1 1 A 17 17 GLU H H 17 8.498 7.885 0.613 1
1 109 . 9 1 1 A 17 17 GLU HA H 17 4.116 3.957 0.159 1
1 114 . 9 1 1 A 17 17 GLU C C 17 177.307 177.808 -0.501 1
1 115 . 9 1 1 A 17 17 GLU CA C 17 58.495 58.750 -0.255 1
1 116 . 9 1 1 A 17 17 GLU CB C 17 29.466 29.422 0.044 1
1 118 . 9 1 1 A 17 17 GLU N N 17 120.260 118.844 1.416 1
1 119 . 9 1 1 A 18 18 CYS H H 18 7.936 8.015 -0.079 1
1 120 . 9 1 1 A 18 18 CYS HA H 18 5.107 4.726 0.381 1
1 123 . 9 1 1 A 18 18 CYS C C 18 176.297 175.584 0.713 1
1 124 . 9 1 1 A 18 18 CYS CA C 18 58.394 59.865 -1.471 1
1 125 . 9 1 1 A 18 18 CYS CB C 18 32.435 29.880 2.555 1
1 126 . 9 1 1 A 18 18 CYS N N 18 114.580 114.970 -0.390 1
1 127 . 9 1 1 A 19 19 GLY H H 19 8.233 7.996 0.237 1
1 128 . 9 1 1 A 19 19 GLY HA2 H 19 3.818 4.063 -0.245 1
1 129 . 9 1 1 A 19 19 GLY HA3 H 19 4.158 4.075 0.083 1
1 130 . 9 1 1 A 19 19 GLY C C 19 174.201 174.558 -0.357 1
1 131 . 9 1 1 A 19 19 GLY CA C 19 46.129 45.118 1.011 1
1 132 . 9 1 1 A 19 19 GLY N N 19 113.640 109.845 3.795 1
1 133 . 9 1 1 A 20 20 LYS H H 20 7.816 7.597 0.219 1
1 134 . 9 1 1 A 20 20 LYS HA H 20 3.889 4.165 -0.276 1
1 143 . 9 1 1 A 20 20 LYS C C 20 173.338 175.542 -2.204 1
1 144 . 9 1 1 A 20 20 LYS CA C 20 58.071 56.653 1.418 1
1 145 . 9 1 1 A 20 20 LYS CB C 20 33.760 33.204 0.556 1
1 149 . 9 1 1 A 20 20 LYS N N 20 123.055 122.394 0.661 1
1 150 . 9 1 1 A 21 21 ALA H H 21 7.624 8.312 -0.688 1
1 151 . 9 1 1 A 21 21 ALA HA H 21 5.029 5.259 -0.230 1
1 155 . 9 1 1 A 21 21 ALA C C 21 176.478 176.581 -0.103 1
1 156 . 9 1 1 A 21 21 ALA CA C 21 50.590 51.030 -0.440 1
1 157 . 9 1 1 A 21 21 ALA CB C 21 22.409 20.963 1.446 1
1 158 . 9 1 1 A 21 21 ALA N N 21 123.757 126.264 -2.507 1
1 159 . 9 1 1 A 22 22 PHE H H 22 8.570 8.654 -0.084 1
1 160 . 9 1 1 A 22 22 PHE HA H 22 4.696 4.874 -0.178 1
1 168 . 9 1 1 A 22 22 PHE C C 22 175.081 175.635 -0.554 1
1 169 . 9 1 1 A 22 22 PHE CA C 22 57.093 56.455 0.638 1
1 170 . 9 1 1 A 22 22 PHE CB C 22 43.428 43.062 0.366 1
1 176 . 9 1 1 A 22 22 PHE N N 22 116.997 116.763 0.234 1
1 177 . 9 1 1 A 23 23 ILE H H 23 8.544 8.605 -0.061 1
1 178 . 9 1 1 A 23 23 ILE HA H 23 4.150 4.172 -0.022 1
1 188 . 9 1 1 A 23 23 ILE C C 23 175.250 176.258 -1.008 1
1 189 . 9 1 1 A 23 23 ILE CA C 23 63.146 63.284 -0.138 1
1 190 . 9 1 1 A 23 23 ILE CB C 23 38.976 39.211 -0.235 1
1 194 . 9 1 1 A 23 23 ILE N N 23 118.524 122.108 -3.584 1
1 195 . 9 1 1 A 24 24 HIS H H 24 7.481 8.267 -0.786 1
1 196 . 9 1 1 A 24 24 HIS HA H 24 4.930 4.954 -0.024 1
1 201 . 9 1 1 A 24 24 HIS C C 24 175.914 175.263 0.651 1
1 202 . 9 1 1 A 24 24 HIS CA C 24 54.508 55.401 -0.893 1
1 203 . 9 1 1 A 24 24 HIS CB C 24 34.064 32.548 1.516 1
1 206 . 9 1 1 A 24 24 HIS N N 24 115.184 117.602 -2.418 1
1 207 . 9 1 1 A 25 25 ASP H H 25 8.313 8.914 -0.601 1
1 208 . 9 1 1 A 25 25 ASP HA H 25 3.499 3.324 0.175 1
1 210 . 9 1 1 A 25 25 ASP C C 25 178.409 178.481 -0.072 1
1 211 . 9 1 1 A 25 25 ASP CA C 25 56.851 56.674 0.177 1
1 212 . 9 1 1 A 25 25 ASP CB C 25 40.476 40.386 0.090 1
1 213 . 9 1 1 A 25 25 ASP N N 25 126.437 120.590 5.847 1
1 214 . 9 1 1 A 26 26 SER H H 26 8.942 8.318 0.624 1
1 215 . 9 1 1 A 26 26 SER HA H 26 3.891 4.189 -0.298 1
1 218 . 9 1 1 A 26 26 SER C C 26 177.293 177.033 0.260 1
1 219 . 9 1 1 A 26 26 SER CA C 26 61.240 61.195 0.045 1
1 220 . 9 1 1 A 26 26 SER CB C 26 61.426 62.612 -1.186 1
1 221 . 9 1 1 A 26 26 SER N N 26 114.987 114.353 0.634 1
1 222 . 9 1 1 A 27 27 GLN H H 27 6.908 7.518 -0.610 1
1 223 . 9 1 1 A 27 27 GLN HA H 27 3.996 4.190 -0.194 1
1 230 . 9 1 1 A 27 27 GLN C C 27 178.844 177.982 0.862 1
1 231 . 9 1 1 A 27 27 GLN CA C 27 57.699 58.398 -0.699 1
1 232 . 9 1 1 A 27 27 GLN CB C 27 28.809 29.032 -0.223 1
1 234 . 9 1 1 A 27 27 GLN N N 27 120.797 122.084 -1.287 1
1 236 . 9 1 1 A 28 28 LEU H H 28 6.989 7.382 -0.393 1
1 237 . 9 1 1 A 28 28 LEU HA H 28 3.192 1.991 1.201 1
1 247 . 9 1 1 A 28 28 LEU C C 28 177.795 178.235 -0.440 1
1 248 . 9 1 1 A 28 28 LEU CA C 28 57.807 57.203 0.604 1
1 249 . 9 1 1 A 28 28 LEU CB C 28 40.185 40.921 -0.736 1
1 253 . 9 1 1 A 28 28 LEU N N 28 122.387 121.320 1.067 1
1 254 . 9 1 1 A 29 29 GLN H H 29 8.345 8.084 0.261 1
1 255 . 9 1 1 A 29 29 GLN HA H 29 3.923 3.836 0.087 1
1 262 . 9 1 1 A 29 29 GLN C C 29 179.092 178.424 0.668 1
1 263 . 9 1 1 A 29 29 GLN CA C 29 58.757 59.088 -0.331 1
1 264 . 9 1 1 A 29 29 GLN CB C 29 27.751 28.265 -0.514 1
1 266 . 9 1 1 A 29 29 GLN N N 29 117.492 117.707 -0.215 1
1 268 . 9 1 1 A 30 30 GLU H H 30 7.420 7.592 -0.172 1
1 269 . 9 1 1 A 30 30 GLU HA H 30 3.885 4.069 -0.184 1
1 274 . 9 1 1 A 30 30 GLU C C 30 178.747 178.908 -0.161 1
1 275 . 9 1 1 A 30 30 GLU CA C 30 58.958 58.965 -0.007 1
1 276 . 9 1 1 A 30 30 GLU CB C 30 29.563 29.534 0.029 1
1 278 . 9 1 1 A 30 30 GLU N N 30 118.075 119.554 -1.479 1
1 279 . 9 1 1 A 31 31 HIS H H 31 7.602 8.066 -0.464 1
1 280 . 9 1 1 A 31 31 HIS HA H 31 4.116 4.265 -0.149 1
1 285 . 9 1 1 A 31 31 HIS C C 31 176.263 177.052 -0.789 1
1 286 . 9 1 1 A 31 31 HIS CA C 31 59.038 58.977 0.061 1
1 287 . 9 1 1 A 31 31 HIS CB C 31 28.559 30.245 -1.686 1
1 290 . 9 1 1 A 31 31 HIS N N 31 119.104 119.890 -0.786 1
1 291 . 9 1 1 A 32 32 GLN H H 32 8.297 8.509 -0.212 1
1 292 . 9 1 1 A 32 32 GLN HA H 32 3.646 3.972 -0.326 1
1 299 . 9 1 1 A 32 32 GLN C C 32 177.393 178.757 -1.364 1
1 300 . 9 1 1 A 32 32 GLN CA C 32 59.179 59.252 -0.073 1
1 301 . 9 1 1 A 32 32 GLN CB C 32 28.076 28.274 -0.198 1
1 303 . 9 1 1 A 32 32 GLN N N 32 115.048 117.555 -2.507 1
1 305 . 9 1 1 A 33 33 ARG H H 33 7.093 8.086 -0.993 1
1 306 . 9 1 1 A 33 33 ARG HA H 33 4.062 3.964 0.098 1
1 313 . 9 1 1 A 33 33 ARG C C 33 178.632 178.814 -0.182 1
1 314 . 9 1 1 A 33 33 ARG CA C 33 58.740 58.892 -0.152 1
1 315 . 9 1 1 A 33 33 ARG CB C 33 30.018 29.878 0.140 1
1 318 . 9 1 1 A 33 33 ARG N N 33 117.429 120.036 -2.607 1
1 319 . 9 1 1 A 34 34 ILE H H 34 7.742 7.958 -0.216 1
1 320 . 9 1 1 A 34 34 ILE HA H 34 3.907 3.723 0.184 1
1 330 . 9 1 1 A 34 34 ILE C C 34 177.477 177.471 0.006 1
1 331 . 9 1 1 A 34 34 ILE CA C 34 62.981 63.806 -0.825 1
1 332 . 9 1 1 A 34 34 ILE CB C 34 37.561 37.237 0.324 1
1 336 . 9 1 1 A 34 34 ILE N N 34 116.287 118.031 -1.744 1
1 337 . 9 1 1 A 35 35 HIS H H 35 7.154 7.574 -0.420 1
1 338 . 9 1 1 A 35 35 HIS HA H 35 4.820 4.439 0.381 1
1 343 . 9 1 1 A 35 35 HIS C C 35 175.945 177.705 -1.760 1
1 344 . 9 1 1 A 35 35 HIS CA C 35 55.340 58.904 -3.564 1
1 345 . 9 1 1 A 35 35 HIS CB C 35 28.562 30.669 -2.107 1
1 348 . 9 1 1 A 35 35 HIS N N 35 117.832 120.675 -2.843 1
1 349 . 9 1 1 A 36 36 THR H H 36 7.768 7.904 -0.136 1
1 350 . 9 1 1 A 36 36 THR HA H 36 4.280 4.046 0.234 1
1 355 . 9 1 1 A 36 36 THR C C 36 175.527 175.284 0.243 1
1 356 . 9 1 1 A 36 36 THR CA C 36 62.599 64.498 -1.899 1
1 357 . 9 1 1 A 36 36 THR CB C 36 69.779 68.834 0.945 1
1 359 . 9 1 1 A 36 36 THR N N 36 111.677 111.948 -0.271 1
1 360 . 9 1 1 A 37 37 GLY H H 37 8.154 8.417 -0.263 1
1 361 . 9 1 1 A 37 37 GLY HA2 H 37 3.961 3.897 0.064 1
1 362 . 9 1 1 A 37 37 GLY HA3 H 37 3.903 3.909 -0.006 1
1 363 . 9 1 1 A 37 37 GLY C C 37 174.033 173.788 0.245 1
1 364 . 9 1 1 A 37 37 GLY CA C 37 45.278 46.703 -1.425 1
1 365 . 9 1 1 A 37 37 GLY N N 37 110.498 111.911 -1.413 1
1 366 . 9 1 1 A 38 38 GLU H H 38 8.043 7.232 0.811 1
1 367 . 9 1 1 A 38 38 GLU HA H 38 4.178 4.955 -0.777 1
1 372 . 9 1 1 A 38 38 GLU C C 38 176.163 174.261 1.902 1
1 373 . 9 1 1 A 38 38 GLU CA C 38 56.461 55.142 1.319 1
1 374 . 9 1 1 A 38 38 GLU CB C 38 30.437 33.152 -2.715 1
1 376 . 9 1 1 A 38 38 GLU N N 38 120.528 119.203 1.325 1
1 377 . 9 1 1 A 39 39 LYS H H 39 8.342 8.784 -0.442 1
1 378 . 9 1 1 A 39 39 LYS HA H 39 4.549 4.914 -0.365 1
1 387 . 9 1 1 A 39 39 LYS C C 39 174.171 174.565 -0.394 1
1 388 . 9 1 1 A 39 39 LYS CA C 39 54.043 53.007 1.036 1
1 389 . 9 1 1 A 39 39 LYS CB C 39 32.451 36.710 -4.259 1
1 393 . 9 1 1 A 39 39 LYS N N 39 123.761 126.546 -2.785 1
1 394 . 9 1 1 A 40 40 PRO HA H 40 4.405 4.662 -0.257 1
1 401 . 9 1 1 A 40 40 PRO CA C 40 63.060 62.258 0.802 1
1 402 . 9 1 1 A 40 40 PRO CB C 40 32.128 33.227 -1.099 1
1 405 . 9 1 1 A 41 41 SER H H 41 8.479 8.530 -0.051 1
1 406 . 9 1 1 A 41 41 SER HA H 41 4.398 4.803 -0.405 1
1 409 . 9 1 1 A 41 41 SER CA C 41 58.288 57.462 0.826 1
1 410 . 9 1 1 A 41 41 SER CB C 41 63.893 62.630 1.263 1
1 411 . 9 1 1 A 41 41 SER N N 41 116.629 116.441 0.188 1
1 412 . 9 1 1 A 42 42 GLY HA2 H 42 4.040 3.895 0.145 1
1 413 . 9 1 1 A 42 42 GLY HA3 H 42 4.105 3.896 0.209 1
1 414 . 9 1 1 A 42 42 GLY CA C 42 44.637 47.031 -2.394 1
1 415 . 9 1 1 A 43 43 PRO HA H 43 4.407 4.474 -0.067 1
1 422 . 9 1 1 A 43 43 PRO CA C 43 63.220 64.775 -1.555 1
1 423 . 9 1 1 A 43 43 PRO CB C 43 32.207 32.042 0.165 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.966 4.090 -0.124 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.966 4.095 -0.129 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.489 174.994 -0.505 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.460 46.144 -0.684 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.117 8.044 0.073 1
1 6 . 10 1 1 A 8 8 THR HA H 8 4.307 4.775 -0.468 1
1 11 . 10 1 1 A 8 8 THR C C 8 175.219 174.085 1.134 1
1 12 . 10 1 1 A 8 8 THR CA C 8 61.781 60.354 1.427 1
1 13 . 10 1 1 A 8 8 THR CB C 8 69.794 68.576 1.218 1
1 15 . 10 1 1 A 8 8 THR N N 8 112.800 110.435 2.365 1
1 16 . 10 1 1 A 9 9 GLY H H 9 8.403 7.939 0.464 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 3.961 4.212 -0.251 1
1 18 . 10 1 1 A 9 9 GLY HA3 H 9 3.906 4.217 -0.311 1
1 19 . 10 1 1 A 9 9 GLY C C 9 173.986 174.427 -0.441 1
1 20 . 10 1 1 A 9 9 GLY CA C 9 45.291 44.307 0.984 1
1 21 . 10 1 1 A 9 9 GLY N N 9 110.970 110.670 0.300 1
1 22 . 10 1 1 A 10 10 GLU H H 10 8.167 8.603 -0.436 1
1 23 . 10 1 1 A 10 10 GLU HA H 10 4.119 4.590 -0.471 1
1 28 . 10 1 1 A 10 10 GLU C C 10 176.245 176.341 -0.096 1
1 29 . 10 1 1 A 10 10 GLU CA C 10 56.761 56.153 0.608 1
1 30 . 10 1 1 A 10 10 GLU CB C 10 30.315 30.035 0.280 1
1 32 . 10 1 1 A 10 10 GLU N N 10 120.318 118.569 1.749 1
1 33 . 10 1 1 A 11 11 LYS H H 11 8.212 7.336 0.876 1
1 34 . 10 1 1 A 11 11 LYS HA H 11 4.481 4.482 -0.001 1
1 43 . 10 1 1 A 11 11 LYS C C 11 174.425 176.498 -2.073 1
1 44 . 10 1 1 A 11 11 LYS CA C 11 53.842 54.531 -0.689 1
1 45 . 10 1 1 A 11 11 LYS CB C 11 33.027 32.678 0.349 1
1 49 . 10 1 1 A 11 11 LYS N N 11 121.767 121.559 0.208 1
1 50 . 10 1 1 A 12 12 PRO HA H 12 4.244 4.392 -0.148 1
1 57 . 10 1 1 A 12 12 PRO C C 12 176.079 175.620 0.459 1
1 58 . 10 1 1 A 12 12 PRO CA C 12 63.283 63.939 -0.656 1
1 59 . 10 1 1 A 12 12 PRO CB C 12 32.187 31.492 0.695 1
1 62 . 10 1 1 A 13 13 TYR H H 13 7.905 7.294 0.611 1
1 63 . 10 1 1 A 13 13 TYR HA H 13 4.586 5.346 -0.760 1
1 70 . 10 1 1 A 13 13 TYR C C 13 174.631 174.537 0.094 1
1 71 . 10 1 1 A 13 13 TYR CA C 13 57.403 56.648 0.755 1
1 72 . 10 1 1 A 13 13 TYR CB C 13 38.592 42.897 -4.305 1
1 77 . 10 1 1 A 13 13 TYR N N 13 118.258 118.985 -0.727 1
1 78 . 10 1 1 A 14 14 ASN H H 14 8.597 9.034 -0.437 1
1 79 . 10 1 1 A 14 14 ASN HA H 14 5.267 5.812 -0.545 1
1 84 . 10 1 1 A 14 14 ASN C C 14 173.616 173.358 0.258 1
1 85 . 10 1 1 A 14 14 ASN CA C 14 52.533 52.394 0.139 1
1 86 . 10 1 1 A 14 14 ASN CB C 14 41.443 43.063 -1.620 1
1 87 . 10 1 1 A 14 14 ASN N N 14 120.998 117.843 3.155 1
1 89 . 10 1 1 A 15 15 CYS H H 15 9.170 8.832 0.338 1
1 90 . 10 1 1 A 15 15 CYS HA H 15 4.549 4.749 -0.200 1
1 93 . 10 1 1 A 15 15 CYS C C 15 177.267 175.887 1.380 1
1 94 . 10 1 1 A 15 15 CYS CA C 15 59.191 58.211 0.980 1
1 95 . 10 1 1 A 15 15 CYS CB C 15 29.553 28.957 0.596 1
1 96 . 10 1 1 A 15 15 CYS N N 15 124.399 121.707 2.692 1
1 97 . 10 1 1 A 16 16 GLU H H 16 9.526 8.918 0.608 1
1 98 . 10 1 1 A 16 16 GLU HA H 16 4.060 4.097 -0.037 1
1 103 . 10 1 1 A 16 16 GLU C C 16 176.879 177.997 -1.118 1
1 104 . 10 1 1 A 16 16 GLU CA C 16 58.728 58.824 -0.096 1
1 105 . 10 1 1 A 16 16 GLU CB C 16 29.577 29.743 -0.166 1
1 107 . 10 1 1 A 16 16 GLU N N 16 132.063 127.874 4.189 1
1 108 . 10 1 1 A 17 17 GLU H H 17 8.498 7.973 0.525 1
1 109 . 10 1 1 A 17 17 GLU HA H 17 4.116 3.957 0.159 1
1 114 . 10 1 1 A 17 17 GLU C C 17 177.307 178.012 -0.705 1
1 115 . 10 1 1 A 17 17 GLU CA C 17 58.495 58.742 -0.247 1
1 116 . 10 1 1 A 17 17 GLU CB C 17 29.466 29.354 0.112 1
1 118 . 10 1 1 A 17 17 GLU N N 17 120.260 118.197 2.063 1
1 119 . 10 1 1 A 18 18 CYS H H 18 7.936 7.930 0.006 1
1 120 . 10 1 1 A 18 18 CYS HA H 18 5.107 4.666 0.441 1
1 123 . 10 1 1 A 18 18 CYS C C 18 176.297 175.350 0.947 1
1 124 . 10 1 1 A 18 18 CYS CA C 18 58.394 59.726 -1.332 1
1 125 . 10 1 1 A 18 18 CYS CB C 18 32.435 29.911 2.524 1
1 126 . 10 1 1 A 18 18 CYS N N 18 114.580 115.324 -0.744 1
1 127 . 10 1 1 A 19 19 GLY H H 19 8.233 7.862 0.371 1
1 128 . 10 1 1 A 19 19 GLY HA2 H 19 3.818 4.077 -0.259 1
1 129 . 10 1 1 A 19 19 GLY HA3 H 19 4.158 4.082 0.076 1
1 130 . 10 1 1 A 19 19 GLY C C 19 174.201 174.629 -0.428 1
1 131 . 10 1 1 A 19 19 GLY CA C 19 46.129 45.172 0.957 1
1 132 . 10 1 1 A 19 19 GLY N N 19 113.640 110.135 3.505 1
1 133 . 10 1 1 A 20 20 LYS H H 20 7.816 7.869 -0.053 1
1 134 . 10 1 1 A 20 20 LYS HA H 20 3.889 4.505 -0.616 1
1 143 . 10 1 1 A 20 20 LYS C C 20 173.338 175.437 -2.099 1
1 144 . 10 1 1 A 20 20 LYS CA C 20 58.071 55.779 2.292 1
1 145 . 10 1 1 A 20 20 LYS CB C 20 33.760 34.454 -0.694 1
1 149 . 10 1 1 A 20 20 LYS N N 20 123.055 119.808 3.247 1
1 150 . 10 1 1 A 21 21 ALA H H 21 7.624 8.006 -0.382 1
1 151 . 10 1 1 A 21 21 ALA HA H 21 5.029 5.584 -0.555 1
1 155 . 10 1 1 A 21 21 ALA C C 21 176.478 175.414 1.064 1
1 156 . 10 1 1 A 21 21 ALA CA C 21 50.590 49.878 0.712 1
1 157 . 10 1 1 A 21 21 ALA CB C 21 22.409 23.107 -0.698 1
1 158 . 10 1 1 A 21 21 ALA N N 21 123.757 120.572 3.185 1
1 159 . 10 1 1 A 22 22 PHE H H 22 8.570 9.096 -0.526 1
1 160 . 10 1 1 A 22 22 PHE HA H 22 4.696 4.883 -0.187 1
1 168 . 10 1 1 A 22 22 PHE C C 22 175.081 175.647 -0.566 1
1 169 . 10 1 1 A 22 22 PHE CA C 22 57.093 56.658 0.435 1
1 170 . 10 1 1 A 22 22 PHE CB C 22 43.428 43.446 -0.018 1
1 176 . 10 1 1 A 22 22 PHE N N 22 116.997 116.170 0.827 1
1 177 . 10 1 1 A 23 23 ILE H H 23 8.544 8.670 -0.126 1
1 178 . 10 1 1 A 23 23 ILE HA H 23 4.150 4.215 -0.065 1
1 188 . 10 1 1 A 23 23 ILE C C 23 175.250 176.304 -1.054 1
1 189 . 10 1 1 A 23 23 ILE CA C 23 63.146 62.840 0.306 1
1 190 . 10 1 1 A 23 23 ILE CB C 23 38.976 39.015 -0.039 1
1 194 . 10 1 1 A 23 23 ILE N N 23 118.524 121.894 -3.370 1
1 195 . 10 1 1 A 24 24 HIS H H 24 7.481 8.221 -0.740 1
1 196 . 10 1 1 A 24 24 HIS HA H 24 4.930 4.861 0.069 1
1 201 . 10 1 1 A 24 24 HIS C C 24 175.914 175.020 0.894 1
1 202 . 10 1 1 A 24 24 HIS CA C 24 54.508 54.284 0.224 1
1 203 . 10 1 1 A 24 24 HIS CB C 24 34.064 32.091 1.973 1
1 206 . 10 1 1 A 24 24 HIS N N 24 115.184 118.260 -3.076 1
1 207 . 10 1 1 A 25 25 ASP H H 25 8.313 8.831 -0.518 1
1 208 . 10 1 1 A 25 25 ASP HA H 25 3.499 3.383 0.116 1
1 210 . 10 1 1 A 25 25 ASP C C 25 178.409 178.232 0.177 1
1 211 . 10 1 1 A 25 25 ASP CA C 25 56.851 56.496 0.355 1
1 212 . 10 1 1 A 25 25 ASP CB C 25 40.476 39.198 1.278 1
1 213 . 10 1 1 A 25 25 ASP N N 25 126.437 122.320 4.117 1
1 214 . 10 1 1 A 26 26 SER H H 26 8.942 8.421 0.521 1
1 215 . 10 1 1 A 26 26 SER HA H 26 3.891 4.158 -0.267 1
1 218 . 10 1 1 A 26 26 SER C C 26 177.293 177.272 0.021 1
1 219 . 10 1 1 A 26 26 SER CA C 26 61.240 61.426 -0.186 1
1 220 . 10 1 1 A 26 26 SER CB C 26 61.426 62.359 -0.933 1
1 221 . 10 1 1 A 26 26 SER N N 26 114.987 114.377 0.610 1
1 222 . 10 1 1 A 27 27 GLN H H 27 6.908 7.090 -0.182 1
1 223 . 10 1 1 A 27 27 GLN HA H 27 3.996 4.077 -0.081 1
1 230 . 10 1 1 A 27 27 GLN C C 27 178.844 177.837 1.007 1
1 231 . 10 1 1 A 27 27 GLN CA C 27 57.699 58.531 -0.832 1
1 232 . 10 1 1 A 27 27 GLN CB C 27 28.809 28.678 0.131 1
1 234 . 10 1 1 A 27 27 GLN N N 27 120.797 122.298 -1.501 1
1 236 . 10 1 1 A 28 28 LEU H H 28 6.989 7.529 -0.540 1
1 237 . 10 1 1 A 28 28 LEU HA H 28 3.192 2.047 1.145 1
1 247 . 10 1 1 A 28 28 LEU C C 28 177.795 178.369 -0.574 1
1 248 . 10 1 1 A 28 28 LEU CA C 28 57.807 57.157 0.650 1
1 249 . 10 1 1 A 28 28 LEU CB C 28 40.185 41.490 -1.305 1
1 253 . 10 1 1 A 28 28 LEU N N 28 122.387 120.964 1.423 1
1 254 . 10 1 1 A 29 29 GLN H H 29 8.345 8.378 -0.033 1
1 255 . 10 1 1 A 29 29 GLN HA H 29 3.923 3.841 0.082 1
1 262 . 10 1 1 A 29 29 GLN C C 29 179.092 178.413 0.679 1
1 263 . 10 1 1 A 29 29 GLN CA C 29 58.757 59.051 -0.294 1
1 264 . 10 1 1 A 29 29 GLN CB C 29 27.751 28.113 -0.362 1
1 266 . 10 1 1 A 29 29 GLN N N 29 117.492 117.499 -0.007 1
1 268 . 10 1 1 A 30 30 GLU H H 30 7.420 7.829 -0.409 1
1 269 . 10 1 1 A 30 30 GLU HA H 30 3.885 4.017 -0.132 1
1 274 . 10 1 1 A 30 30 GLU C C 30 178.747 178.798 -0.051 1
1 275 . 10 1 1 A 30 30 GLU CA C 30 58.958 58.990 -0.032 1
1 276 . 10 1 1 A 30 30 GLU CB C 30 29.563 29.610 -0.047 1
1 278 . 10 1 1 A 30 30 GLU N N 30 118.075 119.637 -1.562 1
1 279 . 10 1 1 A 31 31 HIS H H 31 7.602 8.064 -0.462 1
1 280 . 10 1 1 A 31 31 HIS HA H 31 4.116 4.243 -0.127 1
1 285 . 10 1 1 A 31 31 HIS C C 31 176.263 176.936 -0.673 1
1 286 . 10 1 1 A 31 31 HIS CA C 31 59.038 58.743 0.295 1
1 287 . 10 1 1 A 31 31 HIS CB C 31 28.559 30.082 -1.523 1
1 290 . 10 1 1 A 31 31 HIS N N 31 119.104 119.867 -0.763 1
1 291 . 10 1 1 A 32 32 GLN H H 32 8.297 8.624 -0.327 1
1 292 . 10 1 1 A 32 32 GLN HA H 32 3.646 4.039 -0.393 1
1 299 . 10 1 1 A 32 32 GLN C C 32 177.393 178.631 -1.238 1
1 300 . 10 1 1 A 32 32 GLN CA C 32 59.179 59.341 -0.162 1
1 301 . 10 1 1 A 32 32 GLN CB C 32 28.076 28.282 -0.206 1
1 303 . 10 1 1 A 32 32 GLN N N 32 115.048 117.500 -2.452 1
1 305 . 10 1 1 A 33 33 ARG H H 33 7.093 7.676 -0.583 1
1 306 . 10 1 1 A 33 33 ARG HA H 33 4.062 3.963 0.099 1
1 313 . 10 1 1 A 33 33 ARG C C 33 178.632 178.810 -0.178 1
1 314 . 10 1 1 A 33 33 ARG CA C 33 58.740 58.966 -0.226 1
1 315 . 10 1 1 A 33 33 ARG CB C 33 30.018 29.868 0.150 1
1 318 . 10 1 1 A 33 33 ARG N N 33 117.429 119.993 -2.564 1
1 319 . 10 1 1 A 34 34 ILE H H 34 7.742 8.003 -0.261 1
1 320 . 10 1 1 A 34 34 ILE HA H 34 3.907 3.754 0.153 1
1 330 . 10 1 1 A 34 34 ILE C C 34 177.477 177.237 0.240 1
1 331 . 10 1 1 A 34 34 ILE CA C 34 62.981 63.647 -0.666 1
1 332 . 10 1 1 A 34 34 ILE CB C 34 37.561 37.173 0.388 1
1 336 . 10 1 1 A 34 34 ILE N N 34 116.287 117.796 -1.509 1
1 337 . 10 1 1 A 35 35 HIS H H 35 7.154 7.975 -0.821 1
1 338 . 10 1 1 A 35 35 HIS HA H 35 4.820 4.449 0.371 1
1 343 . 10 1 1 A 35 35 HIS C C 35 175.945 175.705 0.240 1
1 344 . 10 1 1 A 35 35 HIS CA C 35 55.340 58.554 -3.214 1
1 345 . 10 1 1 A 35 35 HIS CB C 35 28.562 31.228 -2.666 1
1 348 . 10 1 1 A 35 35 HIS N N 35 117.832 120.057 -2.225 1
1 349 . 10 1 1 A 36 36 THR H H 36 7.768 7.841 -0.073 1
1 350 . 10 1 1 A 36 36 THR HA H 36 4.280 4.528 -0.248 1
1 355 . 10 1 1 A 36 36 THR C C 36 175.527 175.453 0.074 1
1 356 . 10 1 1 A 36 36 THR CA C 36 62.599 61.114 1.485 1
1 357 . 10 1 1 A 36 36 THR CB C 36 69.779 69.741 0.038 1
1 359 . 10 1 1 A 36 36 THR N N 36 111.677 111.877 -0.200 1
1 360 . 10 1 1 A 37 37 GLY H H 37 8.154 7.635 0.519 1
1 361 . 10 1 1 A 37 37 GLY HA2 H 37 3.961 4.129 -0.168 1
1 362 . 10 1 1 A 37 37 GLY HA3 H 37 3.903 4.141 -0.238 1
1 363 . 10 1 1 A 37 37 GLY C C 37 174.033 173.172 0.861 1
1 364 . 10 1 1 A 37 37 GLY CA C 37 45.278 45.594 -0.316 1
1 365 . 10 1 1 A 37 37 GLY N N 37 110.498 110.286 0.212 1
1 366 . 10 1 1 A 38 38 GLU H H 38 8.043 7.975 0.068 1
1 367 . 10 1 1 A 38 38 GLU HA H 38 4.178 4.682 -0.504 1
1 372 . 10 1 1 A 38 38 GLU C C 38 176.163 176.289 -0.126 1
1 373 . 10 1 1 A 38 38 GLU CA C 38 56.461 54.721 1.740 1
1 374 . 10 1 1 A 38 38 GLU CB C 38 30.437 32.535 -2.098 1
1 376 . 10 1 1 A 38 38 GLU N N 38 120.528 119.472 1.056 1
1 377 . 10 1 1 A 39 39 LYS H H 39 8.342 8.337 0.005 1
1 378 . 10 1 1 A 39 39 LYS HA H 39 4.549 4.241 0.308 1
1 387 . 10 1 1 A 39 39 LYS C C 39 174.171 177.052 -2.881 1
1 388 . 10 1 1 A 39 39 LYS CA C 39 54.043 55.485 -1.442 1
1 389 . 10 1 1 A 39 39 LYS CB C 39 32.451 32.496 -0.045 1
1 393 . 10 1 1 A 39 39 LYS N N 39 123.761 123.095 0.666 1
1 394 . 10 1 1 A 40 40 PRO HA H 40 4.405 4.453 -0.048 1
1 401 . 10 1 1 A 40 40 PRO CA C 40 63.060 63.617 -0.557 1
1 402 . 10 1 1 A 40 40 PRO CB C 40 32.128 32.111 0.017 1
1 405 . 10 1 1 A 41 41 SER H H 41 8.479 8.196 0.283 1
1 406 . 10 1 1 A 41 41 SER HA H 41 4.398 4.073 0.325 1
1 409 . 10 1 1 A 41 41 SER CA C 41 58.288 59.403 -1.115 1
1 410 . 10 1 1 A 41 41 SER CB C 41 63.893 62.028 1.865 1
1 411 . 10 1 1 A 41 41 SER N N 41 116.629 114.132 2.497 1
1 412 . 10 1 1 A 42 42 GLY HA2 H 42 4.040 4.000 0.040 1
1 413 . 10 1 1 A 42 42 GLY HA3 H 42 4.105 4.000 0.105 1
1 414 . 10 1 1 A 42 42 GLY CA C 42 44.637 46.000 -1.363 1
1 415 . 10 1 1 A 43 43 PRO HA H 43 4.407 4.514 -0.107 1
1 422 . 10 1 1 A 43 43 PRO CA C 43 63.220 63.501 -0.281 1
1 423 . 10 1 1 A 43 43 PRO CB C 43 32.207 31.793 0.414 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.966 4.163 -0.197 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.966 4.166 -0.200 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.489 172.731 1.758 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.460 44.752 0.708 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.117 8.441 -0.324 1
1 6 . 11 1 1 A 8 8 THR HA H 8 4.307 5.012 -0.705 1
1 11 . 11 1 1 A 8 8 THR C C 8 175.219 174.381 0.838 1
1 12 . 11 1 1 A 8 8 THR CA C 8 61.781 59.811 1.970 1
1 13 . 11 1 1 A 8 8 THR CB C 8 69.794 70.843 -1.049 1
1 15 . 11 1 1 A 8 8 THR N N 8 112.800 113.500 -0.700 1
1 16 . 11 1 1 A 9 9 GLY H H 9 8.403 8.605 -0.202 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 3.961 3.912 0.049 1
1 18 . 11 1 1 A 9 9 GLY HA3 H 9 3.906 3.913 -0.007 1
1 19 . 11 1 1 A 9 9 GLY C C 9 173.986 174.531 -0.545 1
1 20 . 11 1 1 A 9 9 GLY CA C 9 45.291 46.785 -1.494 1
1 21 . 11 1 1 A 9 9 GLY N N 9 110.970 113.317 -2.347 1
1 22 . 11 1 1 A 10 10 GLU H H 10 8.167 8.241 -0.074 1
1 23 . 11 1 1 A 10 10 GLU HA H 10 4.119 4.289 -0.170 1
1 28 . 11 1 1 A 10 10 GLU C C 10 176.245 176.393 -0.148 1
1 29 . 11 1 1 A 10 10 GLU CA C 10 56.761 56.514 0.247 1
1 30 . 11 1 1 A 10 10 GLU CB C 10 30.315 30.831 -0.516 1
1 32 . 11 1 1 A 10 10 GLU N N 10 120.318 120.127 0.191 1
1 33 . 11 1 1 A 11 11 LYS H H 11 8.212 8.476 -0.264 1
1 34 . 11 1 1 A 11 11 LYS HA H 11 4.481 4.239 0.242 1
1 43 . 11 1 1 A 11 11 LYS C C 11 174.425 176.729 -2.304 1
1 44 . 11 1 1 A 11 11 LYS CA C 11 53.842 55.098 -1.256 1
1 45 . 11 1 1 A 11 11 LYS CB C 11 33.027 32.564 0.463 1
1 49 . 11 1 1 A 11 11 LYS N N 11 121.767 123.402 -1.635 1
1 50 . 11 1 1 A 12 12 PRO HA H 12 4.244 4.395 -0.151 1
1 57 . 11 1 1 A 12 12 PRO C C 12 176.079 175.608 0.471 1
1 58 . 11 1 1 A 12 12 PRO CA C 12 63.283 63.986 -0.703 1
1 59 . 11 1 1 A 12 12 PRO CB C 12 32.187 31.433 0.754 1
1 62 . 11 1 1 A 13 13 TYR H H 13 7.905 7.241 0.664 1
1 63 . 11 1 1 A 13 13 TYR HA H 13 4.586 5.322 -0.736 1
1 70 . 11 1 1 A 13 13 TYR C C 13 174.631 174.494 0.137 1
1 71 . 11 1 1 A 13 13 TYR CA C 13 57.403 56.554 0.849 1
1 72 . 11 1 1 A 13 13 TYR CB C 13 38.592 42.822 -4.230 1
1 77 . 11 1 1 A 13 13 TYR N N 13 118.258 119.116 -0.858 1
1 78 . 11 1 1 A 14 14 ASN H H 14 8.597 9.068 -0.471 1
1 79 . 11 1 1 A 14 14 ASN HA H 14 5.267 5.760 -0.493 1
1 84 . 11 1 1 A 14 14 ASN C C 14 173.616 173.477 0.139 1
1 85 . 11 1 1 A 14 14 ASN CA C 14 52.533 52.275 0.258 1
1 86 . 11 1 1 A 14 14 ASN CB C 14 41.443 43.509 -2.066 1
1 87 . 11 1 1 A 14 14 ASN N N 14 120.998 117.809 3.189 1
1 89 . 11 1 1 A 15 15 CYS H H 15 9.170 8.653 0.517 1
1 90 . 11 1 1 A 15 15 CYS HA H 15 4.549 4.824 -0.275 1
1 93 . 11 1 1 A 15 15 CYS C C 15 177.267 175.027 2.240 1
1 94 . 11 1 1 A 15 15 CYS CA C 15 59.191 57.410 1.781 1
1 95 . 11 1 1 A 15 15 CYS CB C 15 29.553 28.084 1.469 1
1 96 . 11 1 1 A 15 15 CYS N N 15 124.399 120.336 4.063 1
1 97 . 11 1 1 A 16 16 GLU H H 16 9.526 8.559 0.967 1
1 98 . 11 1 1 A 16 16 GLU HA H 16 4.060 3.927 0.133 1
1 103 . 11 1 1 A 16 16 GLU C C 16 176.879 177.798 -0.919 1
1 104 . 11 1 1 A 16 16 GLU CA C 16 58.728 59.227 -0.499 1
1 105 . 11 1 1 A 16 16 GLU CB C 16 29.577 29.643 -0.066 1
1 107 . 11 1 1 A 16 16 GLU N N 16 132.063 127.329 4.734 1
1 108 . 11 1 1 A 17 17 GLU H H 17 8.498 8.147 0.351 1
1 109 . 11 1 1 A 17 17 GLU HA H 17 4.116 4.030 0.086 1
1 114 . 11 1 1 A 17 17 GLU C C 17 177.307 178.157 -0.850 1
1 115 . 11 1 1 A 17 17 GLU CA C 17 58.495 58.668 -0.173 1
1 116 . 11 1 1 A 17 17 GLU CB C 17 29.466 29.181 0.285 1
1 118 . 11 1 1 A 17 17 GLU N N 17 120.260 118.399 1.861 1
1 119 . 11 1 1 A 18 18 CYS H H 18 7.936 7.632 0.304 1
1 120 . 11 1 1 A 18 18 CYS HA H 18 5.107 4.724 0.383 1
1 123 . 11 1 1 A 18 18 CYS C C 18 176.297 175.378 0.919 1
1 124 . 11 1 1 A 18 18 CYS CA C 18 58.394 59.769 -1.375 1
1 125 . 11 1 1 A 18 18 CYS CB C 18 32.435 29.959 2.476 1
1 126 . 11 1 1 A 18 18 CYS N N 18 114.580 115.196 -0.616 1
1 127 . 11 1 1 A 19 19 GLY H H 19 8.233 8.108 0.125 1
1 128 . 11 1 1 A 19 19 GLY HA2 H 19 3.818 4.077 -0.259 1
1 129 . 11 1 1 A 19 19 GLY HA3 H 19 4.158 4.078 0.080 1
1 130 . 11 1 1 A 19 19 GLY C C 19 174.201 174.250 -0.049 1
1 131 . 11 1 1 A 19 19 GLY CA C 19 46.129 45.204 0.925 1
1 132 . 11 1 1 A 19 19 GLY N N 19 113.640 109.782 3.858 1
1 133 . 11 1 1 A 20 20 LYS H H 20 7.816 7.887 -0.071 1
1 134 . 11 1 1 A 20 20 LYS HA H 20 3.889 4.632 -0.743 1
1 143 . 11 1 1 A 20 20 LYS C C 20 173.338 175.198 -1.860 1
1 144 . 11 1 1 A 20 20 LYS CA C 20 58.071 55.315 2.756 1
1 145 . 11 1 1 A 20 20 LYS CB C 20 33.760 34.210 -0.450 1
1 149 . 11 1 1 A 20 20 LYS N N 20 123.055 121.529 1.526 1
1 150 . 11 1 1 A 21 21 ALA H H 21 7.624 8.093 -0.469 1
1 151 . 11 1 1 A 21 21 ALA HA H 21 5.029 5.367 -0.338 1
1 155 . 11 1 1 A 21 21 ALA C C 21 176.478 175.031 1.447 1
1 156 . 11 1 1 A 21 21 ALA CA C 21 50.590 50.631 -0.041 1
1 157 . 11 1 1 A 21 21 ALA CB C 21 22.409 22.498 -0.089 1
1 158 . 11 1 1 A 21 21 ALA N N 21 123.757 123.717 0.040 1
1 159 . 11 1 1 A 22 22 PHE H H 22 8.570 9.230 -0.660 1
1 160 . 11 1 1 A 22 22 PHE HA H 22 4.696 4.962 -0.266 1
1 168 . 11 1 1 A 22 22 PHE C C 22 175.081 175.789 -0.708 1
1 169 . 11 1 1 A 22 22 PHE CA C 22 57.093 56.632 0.461 1
1 170 . 11 1 1 A 22 22 PHE CB C 22 43.428 43.305 0.123 1
1 176 . 11 1 1 A 22 22 PHE N N 22 116.997 117.713 -0.716 1
1 177 . 11 1 1 A 23 23 ILE H H 23 8.544 8.622 -0.078 1
1 178 . 11 1 1 A 23 23 ILE HA H 23 4.150 4.144 0.006 1
1 188 . 11 1 1 A 23 23 ILE C C 23 175.250 176.418 -1.168 1
1 189 . 11 1 1 A 23 23 ILE CA C 23 63.146 62.768 0.378 1
1 190 . 11 1 1 A 23 23 ILE CB C 23 38.976 38.961 0.015 1
1 194 . 11 1 1 A 23 23 ILE N N 23 118.524 122.038 -3.514 1
1 195 . 11 1 1 A 24 24 HIS H H 24 7.481 8.239 -0.758 1
1 196 . 11 1 1 A 24 24 HIS HA H 24 4.930 4.967 -0.037 1
1 201 . 11 1 1 A 24 24 HIS C C 24 175.914 174.831 1.083 1
1 202 . 11 1 1 A 24 24 HIS CA C 24 54.508 54.677 -0.169 1
1 203 . 11 1 1 A 24 24 HIS CB C 24 34.064 32.440 1.624 1
1 206 . 11 1 1 A 24 24 HIS N N 24 115.184 117.896 -2.712 1
1 207 . 11 1 1 A 25 25 ASP H H 25 8.313 8.608 -0.295 1
1 208 . 11 1 1 A 25 25 ASP HA H 25 3.499 3.173 0.326 1
1 210 . 11 1 1 A 25 25 ASP C C 25 178.409 177.648 0.761 1
1 211 . 11 1 1 A 25 25 ASP CA C 25 56.851 56.596 0.255 1
1 212 . 11 1 1 A 25 25 ASP CB C 25 40.476 40.916 -0.440 1
1 213 . 11 1 1 A 25 25 ASP N N 25 126.437 122.508 3.929 1
1 214 . 11 1 1 A 26 26 SER H H 26 8.942 8.360 0.582 1
1 215 . 11 1 1 A 26 26 SER HA H 26 3.891 4.154 -0.263 1
1 218 . 11 1 1 A 26 26 SER C C 26 177.293 177.009 0.284 1
1 219 . 11 1 1 A 26 26 SER CA C 26 61.240 61.712 -0.472 1
1 220 . 11 1 1 A 26 26 SER CB C 26 61.426 62.726 -1.300 1
1 221 . 11 1 1 A 26 26 SER N N 26 114.987 113.113 1.874 1
1 222 . 11 1 1 A 27 27 GLN H H 27 6.908 8.049 -1.141 1
1 223 . 11 1 1 A 27 27 GLN HA H 27 3.996 3.972 0.024 1
1 230 . 11 1 1 A 27 27 GLN C C 27 178.844 178.086 0.758 1
1 231 . 11 1 1 A 27 27 GLN CA C 27 57.699 58.850 -1.151 1
1 232 . 11 1 1 A 27 27 GLN CB C 27 28.809 28.176 0.633 1
1 234 . 11 1 1 A 27 27 GLN N N 27 120.797 121.594 -0.797 1
1 236 . 11 1 1 A 28 28 LEU H H 28 6.989 7.946 -0.957 1
1 237 . 11 1 1 A 28 28 LEU HA H 28 3.192 2.118 1.074 1
1 247 . 11 1 1 A 28 28 LEU C C 28 177.795 178.540 -0.745 1
1 248 . 11 1 1 A 28 28 LEU CA C 28 57.807 57.142 0.665 1
1 249 . 11 1 1 A 28 28 LEU CB C 28 40.185 41.418 -1.233 1
1 253 . 11 1 1 A 28 28 LEU N N 28 122.387 120.505 1.882 1
1 254 . 11 1 1 A 29 29 GLN H H 29 8.345 8.213 0.132 1
1 255 . 11 1 1 A 29 29 GLN HA H 29 3.923 3.811 0.112 1
1 262 . 11 1 1 A 29 29 GLN C C 29 179.092 178.398 0.694 1
1 263 . 11 1 1 A 29 29 GLN CA C 29 58.757 59.282 -0.525 1
1 264 . 11 1 1 A 29 29 GLN CB C 29 27.751 27.949 -0.198 1
1 266 . 11 1 1 A 29 29 GLN N N 29 117.492 117.382 0.110 1
1 268 . 11 1 1 A 30 30 GLU H H 30 7.420 8.237 -0.817 1
1 269 . 11 1 1 A 30 30 GLU HA H 30 3.885 4.004 -0.119 1
1 274 . 11 1 1 A 30 30 GLU C C 30 178.747 178.701 0.046 1
1 275 . 11 1 1 A 30 30 GLU CA C 30 58.958 58.953 0.005 1
1 276 . 11 1 1 A 30 30 GLU CB C 30 29.563 29.660 -0.097 1
1 278 . 11 1 1 A 30 30 GLU N N 30 118.075 119.589 -1.514 1
1 279 . 11 1 1 A 31 31 HIS H H 31 7.602 8.209 -0.607 1
1 280 . 11 1 1 A 31 31 HIS HA H 31 4.116 4.226 -0.110 1
1 285 . 11 1 1 A 31 31 HIS C C 31 176.263 176.971 -0.708 1
1 286 . 11 1 1 A 31 31 HIS CA C 31 59.038 58.781 0.257 1
1 287 . 11 1 1 A 31 31 HIS CB C 31 28.559 30.171 -1.612 1
1 290 . 11 1 1 A 31 31 HIS N N 31 119.104 119.860 -0.756 1
1 291 . 11 1 1 A 32 32 GLN H H 32 8.297 8.459 -0.162 1
1 292 . 11 1 1 A 32 32 GLN HA H 32 3.646 3.880 -0.234 1
1 299 . 11 1 1 A 32 32 GLN C C 32 177.393 178.786 -1.393 1
1 300 . 11 1 1 A 32 32 GLN CA C 32 59.179 59.244 -0.065 1
1 301 . 11 1 1 A 32 32 GLN CB C 32 28.076 28.242 -0.166 1
1 303 . 11 1 1 A 32 32 GLN N N 32 115.048 117.610 -2.562 1
1 305 . 11 1 1 A 33 33 ARG H H 33 7.093 7.689 -0.596 1
1 306 . 11 1 1 A 33 33 ARG HA H 33 4.062 3.980 0.082 1
1 313 . 11 1 1 A 33 33 ARG C C 33 178.632 178.886 -0.254 1
1 314 . 11 1 1 A 33 33 ARG CA C 33 58.740 58.950 -0.210 1
1 315 . 11 1 1 A 33 33 ARG CB C 33 30.018 29.893 0.125 1
1 318 . 11 1 1 A 33 33 ARG N N 33 117.429 120.027 -2.598 1
1 319 . 11 1 1 A 34 34 ILE H H 34 7.742 8.065 -0.323 1
1 320 . 11 1 1 A 34 34 ILE HA H 34 3.907 3.764 0.143 1
1 330 . 11 1 1 A 34 34 ILE C C 34 177.477 177.479 -0.002 1
1 331 . 11 1 1 A 34 34 ILE CA C 34 62.981 63.792 -0.811 1
1 332 . 11 1 1 A 34 34 ILE CB C 34 37.561 37.309 0.252 1
1 336 . 11 1 1 A 34 34 ILE N N 34 116.287 117.907 -1.620 1
1 337 . 11 1 1 A 35 35 HIS H H 35 7.154 7.916 -0.762 1
1 338 . 11 1 1 A 35 35 HIS HA H 35 4.820 4.429 0.391 1
1 343 . 11 1 1 A 35 35 HIS C C 35 175.945 175.549 0.396 1
1 344 . 11 1 1 A 35 35 HIS CA C 35 55.340 58.721 -3.381 1
1 345 . 11 1 1 A 35 35 HIS CB C 35 28.562 30.837 -2.275 1
1 348 . 11 1 1 A 35 35 HIS N N 35 117.832 119.540 -1.708 1
1 349 . 11 1 1 A 36 36 THR H H 36 7.768 7.401 0.367 1
1 350 . 11 1 1 A 36 36 THR HA H 36 4.280 4.013 0.267 1
1 355 . 11 1 1 A 36 36 THR C C 36 175.527 175.213 0.314 1
1 356 . 11 1 1 A 36 36 THR CA C 36 62.599 63.585 -0.986 1
1 357 . 11 1 1 A 36 36 THR CB C 36 69.779 68.349 1.430 1
1 359 . 11 1 1 A 36 36 THR N N 36 111.677 108.394 3.283 1
1 360 . 11 1 1 A 37 37 GLY H H 37 8.154 8.898 -0.744 1
1 361 . 11 1 1 A 37 37 GLY HA2 H 37 3.961 4.055 -0.094 1
1 362 . 11 1 1 A 37 37 GLY HA3 H 37 3.903 4.060 -0.157 1
1 363 . 11 1 1 A 37 37 GLY C C 37 174.033 174.186 -0.153 1
1 364 . 11 1 1 A 37 37 GLY CA C 37 45.278 46.218 -0.940 1
1 365 . 11 1 1 A 37 37 GLY N N 37 110.498 114.824 -4.326 1
1 366 . 11 1 1 A 38 38 GLU H H 38 8.043 7.964 0.079 1
1 367 . 11 1 1 A 38 38 GLU HA H 38 4.178 4.981 -0.803 1
1 372 . 11 1 1 A 38 38 GLU C C 38 176.163 175.063 1.100 1
1 373 . 11 1 1 A 38 38 GLU CA C 38 56.461 55.166 1.295 1
1 374 . 11 1 1 A 38 38 GLU CB C 38 30.437 31.983 -1.546 1
1 376 . 11 1 1 A 38 38 GLU N N 38 120.528 116.507 4.021 1
1 377 . 11 1 1 A 39 39 LYS H H 39 8.342 8.590 -0.248 1
1 378 . 11 1 1 A 39 39 LYS HA H 39 4.549 4.738 -0.189 1
1 387 . 11 1 1 A 39 39 LYS C C 39 174.171 174.830 -0.659 1
1 388 . 11 1 1 A 39 39 LYS CA C 39 54.043 53.341 0.702 1
1 389 . 11 1 1 A 39 39 LYS CB C 39 32.451 32.035 0.416 1
1 393 . 11 1 1 A 39 39 LYS N N 39 123.761 124.754 -0.993 1
1 394 . 11 1 1 A 40 40 PRO HA H 40 4.405 4.595 -0.190 1
1 401 . 11 1 1 A 40 40 PRO CA C 40 63.060 62.282 0.778 1
1 402 . 11 1 1 A 40 40 PRO CB C 40 32.128 33.293 -1.165 1
1 405 . 11 1 1 A 41 41 SER H H 41 8.479 8.400 0.079 1
1 406 . 11 1 1 A 41 41 SER HA H 41 4.398 4.563 -0.165 1
1 409 . 11 1 1 A 41 41 SER CA C 41 58.288 57.652 0.636 1
1 410 . 11 1 1 A 41 41 SER CB C 41 63.893 61.490 2.403 1
1 411 . 11 1 1 A 41 41 SER N N 41 116.629 116.373 0.256 1
1 412 . 11 1 1 A 42 42 GLY HA2 H 42 4.040 3.935 0.105 1
1 413 . 11 1 1 A 42 42 GLY HA3 H 42 4.105 3.935 0.170 1
1 414 . 11 1 1 A 42 42 GLY CA C 42 44.637 46.879 -2.242 1
1 415 . 11 1 1 A 43 43 PRO HA H 43 4.407 4.503 -0.096 1
1 422 . 11 1 1 A 43 43 PRO CA C 43 63.220 64.522 -1.302 1
1 423 . 11 1 1 A 43 43 PRO CB C 43 32.207 32.232 -0.025 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.966 4.061 -0.095 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.966 4.062 -0.096 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.489 173.517 0.972 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.460 44.768 0.692 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.117 8.076 0.041 1
1 6 . 12 1 1 A 8 8 THR HA H 8 4.307 4.146 0.161 1
1 11 . 12 1 1 A 8 8 THR C C 8 175.219 175.333 -0.114 1
1 12 . 12 1 1 A 8 8 THR CA C 8 61.781 62.947 -1.166 1
1 13 . 12 1 1 A 8 8 THR CB C 8 69.794 68.923 0.871 1
1 15 . 12 1 1 A 8 8 THR N N 8 112.800 117.615 -4.815 1
1 16 . 12 1 1 A 9 9 GLY H H 9 8.403 8.768 -0.365 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 3.961 4.023 -0.062 1
1 18 . 12 1 1 A 9 9 GLY HA3 H 9 3.906 4.026 -0.120 1
1 19 . 12 1 1 A 9 9 GLY C C 9 173.986 174.794 -0.808 1
1 20 . 12 1 1 A 9 9 GLY CA C 9 45.291 45.213 0.078 1
1 21 . 12 1 1 A 9 9 GLY N N 9 110.970 116.344 -5.374 1
1 22 . 12 1 1 A 10 10 GLU H H 10 8.167 8.069 0.098 1
1 23 . 12 1 1 A 10 10 GLU HA H 10 4.119 4.418 -0.299 1
1 28 . 12 1 1 A 10 10 GLU C C 10 176.245 176.807 -0.562 1
1 29 . 12 1 1 A 10 10 GLU CA C 10 56.761 56.128 0.633 1
1 30 . 12 1 1 A 10 10 GLU CB C 10 30.315 29.811 0.504 1
1 32 . 12 1 1 A 10 10 GLU N N 10 120.318 121.083 -0.765 1
1 33 . 12 1 1 A 11 11 LYS H H 11 8.212 7.257 0.955 1
1 34 . 12 1 1 A 11 11 LYS HA H 11 4.481 4.394 0.087 1
1 43 . 12 1 1 A 11 11 LYS C C 11 174.425 176.408 -1.983 1
1 44 . 12 1 1 A 11 11 LYS CA C 11 53.842 55.155 -1.313 1
1 45 . 12 1 1 A 11 11 LYS CB C 11 33.027 32.420 0.607 1
1 49 . 12 1 1 A 11 11 LYS N N 11 121.767 121.237 0.530 1
1 50 . 12 1 1 A 12 12 PRO HA H 12 4.244 4.347 -0.103 1
1 57 . 12 1 1 A 12 12 PRO C C 12 176.079 175.592 0.487 1
1 58 . 12 1 1 A 12 12 PRO CA C 12 63.283 63.937 -0.654 1
1 59 . 12 1 1 A 12 12 PRO CB C 12 32.187 31.514 0.673 1
1 62 . 12 1 1 A 13 13 TYR H H 13 7.905 7.158 0.747 1
1 63 . 12 1 1 A 13 13 TYR HA H 13 4.586 5.350 -0.764 1
1 70 . 12 1 1 A 13 13 TYR C C 13 174.631 174.414 0.217 1
1 71 . 12 1 1 A 13 13 TYR CA C 13 57.403 56.379 1.024 1
1 72 . 12 1 1 A 13 13 TYR CB C 13 38.592 43.426 -4.834 1
1 77 . 12 1 1 A 13 13 TYR N N 13 118.258 118.720 -0.462 1
1 78 . 12 1 1 A 14 14 ASN H H 14 8.597 9.052 -0.455 1
1 79 . 12 1 1 A 14 14 ASN HA H 14 5.267 5.895 -0.628 1
1 84 . 12 1 1 A 14 14 ASN C C 14 173.616 173.105 0.511 1
1 85 . 12 1 1 A 14 14 ASN CA C 14 52.533 52.078 0.455 1
1 86 . 12 1 1 A 14 14 ASN CB C 14 41.443 43.518 -2.075 1
1 87 . 12 1 1 A 14 14 ASN N N 14 120.998 117.773 3.225 1
1 89 . 12 1 1 A 15 15 CYS H H 15 9.170 9.141 0.029 1
1 90 . 12 1 1 A 15 15 CYS HA H 15 4.549 5.042 -0.493 1
1 93 . 12 1 1 A 15 15 CYS C C 15 177.267 175.740 1.527 1
1 94 . 12 1 1 A 15 15 CYS CA C 15 59.191 57.215 1.976 1
1 95 . 12 1 1 A 15 15 CYS CB C 15 29.553 30.384 -0.831 1
1 96 . 12 1 1 A 15 15 CYS N N 15 124.399 119.890 4.509 1
1 97 . 12 1 1 A 16 16 GLU H H 16 9.526 9.011 0.515 1
1 98 . 12 1 1 A 16 16 GLU HA H 16 4.060 4.600 -0.540 1
1 103 . 12 1 1 A 16 16 GLU C C 16 176.879 177.333 -0.454 1
1 104 . 12 1 1 A 16 16 GLU CA C 16 58.728 56.279 2.449 1
1 105 . 12 1 1 A 16 16 GLU CB C 16 29.577 29.797 -0.220 1
1 107 . 12 1 1 A 16 16 GLU N N 16 132.063 127.372 4.691 1
1 108 . 12 1 1 A 17 17 GLU H H 17 8.498 7.864 0.634 1
1 109 . 12 1 1 A 17 17 GLU HA H 17 4.116 4.379 -0.263 1
1 114 . 12 1 1 A 17 17 GLU C C 17 177.307 177.769 -0.462 1
1 115 . 12 1 1 A 17 17 GLU CA C 17 58.495 56.841 1.654 1
1 116 . 12 1 1 A 17 17 GLU CB C 17 29.466 30.912 -1.446 1
1 118 . 12 1 1 A 17 17 GLU N N 17 120.260 120.494 -0.234 1
1 119 . 12 1 1 A 18 18 CYS H H 18 7.936 8.002 -0.066 1
1 120 . 12 1 1 A 18 18 CYS HA H 18 5.107 4.750 0.357 1
1 123 . 12 1 1 A 18 18 CYS C C 18 176.297 175.558 0.739 1
1 124 . 12 1 1 A 18 18 CYS CA C 18 58.394 59.721 -1.327 1
1 125 . 12 1 1 A 18 18 CYS CB C 18 32.435 30.086 2.349 1
1 126 . 12 1 1 A 18 18 CYS N N 18 114.580 114.895 -0.315 1
1 127 . 12 1 1 A 19 19 GLY H H 19 8.233 8.171 0.062 1
1 128 . 12 1 1 A 19 19 GLY HA2 H 19 3.818 4.089 -0.271 1
1 129 . 12 1 1 A 19 19 GLY HA3 H 19 4.158 4.097 0.061 1
1 130 . 12 1 1 A 19 19 GLY C C 19 174.201 174.417 -0.216 1
1 131 . 12 1 1 A 19 19 GLY CA C 19 46.129 45.239 0.890 1
1 132 . 12 1 1 A 19 19 GLY N N 19 113.640 109.990 3.650 1
1 133 . 12 1 1 A 20 20 LYS H H 20 7.816 7.844 -0.028 1
1 134 . 12 1 1 A 20 20 LYS HA H 20 3.889 4.627 -0.738 1
1 143 . 12 1 1 A 20 20 LYS C C 20 173.338 175.546 -2.208 1
1 144 . 12 1 1 A 20 20 LYS CA C 20 58.071 54.933 3.138 1
1 145 . 12 1 1 A 20 20 LYS CB C 20 33.760 34.415 -0.655 1
1 149 . 12 1 1 A 20 20 LYS N N 20 123.055 121.034 2.021 1
1 150 . 12 1 1 A 21 21 ALA H H 21 7.624 8.783 -1.159 1
1 151 . 12 1 1 A 21 21 ALA HA H 21 5.029 5.623 -0.594 1
1 155 . 12 1 1 A 21 21 ALA C C 21 176.478 176.389 0.089 1
1 156 . 12 1 1 A 21 21 ALA CA C 21 50.590 50.422 0.168 1
1 157 . 12 1 1 A 21 21 ALA CB C 21 22.409 22.124 0.285 1
1 158 . 12 1 1 A 21 21 ALA N N 21 123.757 127.967 -4.210 1
1 159 . 12 1 1 A 22 22 PHE H H 22 8.570 9.131 -0.561 1
1 160 . 12 1 1 A 22 22 PHE HA H 22 4.696 5.114 -0.418 1
1 168 . 12 1 1 A 22 22 PHE C C 22 175.081 175.708 -0.627 1
1 169 . 12 1 1 A 22 22 PHE CA C 22 57.093 56.822 0.271 1
1 170 . 12 1 1 A 22 22 PHE CB C 22 43.428 44.067 -0.639 1
1 176 . 12 1 1 A 22 22 PHE N N 22 116.997 116.843 0.154 1
1 177 . 12 1 1 A 23 23 ILE H H 23 8.544 8.808 -0.264 1
1 178 . 12 1 1 A 23 23 ILE HA H 23 4.150 4.217 -0.067 1
1 188 . 12 1 1 A 23 23 ILE C C 23 175.250 176.047 -0.797 1
1 189 . 12 1 1 A 23 23 ILE CA C 23 63.146 62.517 0.629 1
1 190 . 12 1 1 A 23 23 ILE CB C 23 38.976 38.688 0.288 1
1 194 . 12 1 1 A 23 23 ILE N N 23 118.524 120.355 -1.831 1
1 195 . 12 1 1 A 24 24 HIS H H 24 7.481 8.272 -0.791 1
1 196 . 12 1 1 A 24 24 HIS HA H 24 4.930 4.959 -0.029 1
1 201 . 12 1 1 A 24 24 HIS C C 24 175.914 174.729 1.185 1
1 202 . 12 1 1 A 24 24 HIS CA C 24 54.508 55.271 -0.763 1
1 203 . 12 1 1 A 24 24 HIS CB C 24 34.064 32.335 1.729 1
1 206 . 12 1 1 A 24 24 HIS N N 24 115.184 117.456 -2.272 1
1 207 . 12 1 1 A 25 25 ASP H H 25 8.313 8.559 -0.246 1
1 208 . 12 1 1 A 25 25 ASP HA H 25 3.499 3.146 0.353 1
1 210 . 12 1 1 A 25 25 ASP C C 25 178.409 177.668 0.741 1
1 211 . 12 1 1 A 25 25 ASP CA C 25 56.851 56.807 0.044 1
1 212 . 12 1 1 A 25 25 ASP CB C 25 40.476 40.916 -0.440 1
1 213 . 12 1 1 A 25 25 ASP N N 25 126.437 122.090 4.347 1
1 214 . 12 1 1 A 26 26 SER H H 26 8.942 8.035 0.907 1
1 215 . 12 1 1 A 26 26 SER HA H 26 3.891 4.116 -0.225 1
1 218 . 12 1 1 A 26 26 SER C C 26 177.293 176.266 1.027 1
1 219 . 12 1 1 A 26 26 SER CA C 26 61.240 61.633 -0.393 1
1 220 . 12 1 1 A 26 26 SER CB C 26 61.426 63.318 -1.892 1
1 221 . 12 1 1 A 26 26 SER N N 26 114.987 115.825 -0.838 1
1 222 . 12 1 1 A 27 27 GLN H H 27 6.908 7.866 -0.958 1
1 223 . 12 1 1 A 27 27 GLN HA H 27 3.996 3.988 0.008 1
1 230 . 12 1 1 A 27 27 GLN C C 27 178.844 177.960 0.884 1
1 231 . 12 1 1 A 27 27 GLN CA C 27 57.699 58.824 -1.125 1
1 232 . 12 1 1 A 27 27 GLN CB C 27 28.809 28.541 0.268 1
1 234 . 12 1 1 A 27 27 GLN N N 27 120.797 121.286 -0.489 1
1 236 . 12 1 1 A 28 28 LEU H H 28 6.989 7.470 -0.481 1
1 237 . 12 1 1 A 28 28 LEU HA H 28 3.192 2.322 0.870 1
1 247 . 12 1 1 A 28 28 LEU C C 28 177.795 178.417 -0.622 1
1 248 . 12 1 1 A 28 28 LEU CA C 28 57.807 57.294 0.513 1
1 249 . 12 1 1 A 28 28 LEU CB C 28 40.185 41.139 -0.954 1
1 253 . 12 1 1 A 28 28 LEU N N 28 122.387 121.185 1.202 1
1 254 . 12 1 1 A 29 29 GLN H H 29 8.345 8.286 0.059 1
1 255 . 12 1 1 A 29 29 GLN HA H 29 3.923 3.819 0.104 1
1 262 . 12 1 1 A 29 29 GLN C C 29 179.092 178.364 0.728 1
1 263 . 12 1 1 A 29 29 GLN CA C 29 58.757 59.184 -0.427 1
1 264 . 12 1 1 A 29 29 GLN CB C 29 27.751 27.946 -0.195 1
1 266 . 12 1 1 A 29 29 GLN N N 29 117.492 117.517 -0.025 1
1 268 . 12 1 1 A 30 30 GLU H H 30 7.420 8.018 -0.598 1
1 269 . 12 1 1 A 30 30 GLU HA H 30 3.885 4.071 -0.186 1
1 274 . 12 1 1 A 30 30 GLU C C 30 178.747 178.705 0.042 1
1 275 . 12 1 1 A 30 30 GLU CA C 30 58.958 58.702 0.256 1
1 276 . 12 1 1 A 30 30 GLU CB C 30 29.563 29.531 0.032 1
1 278 . 12 1 1 A 30 30 GLU N N 30 118.075 119.420 -1.345 1
1 279 . 12 1 1 A 31 31 HIS H H 31 7.602 8.263 -0.661 1
1 280 . 12 1 1 A 31 31 HIS HA H 31 4.116 4.390 -0.274 1
1 285 . 12 1 1 A 31 31 HIS C C 31 176.263 177.148 -0.885 1
1 286 . 12 1 1 A 31 31 HIS CA C 31 59.038 58.553 0.485 1
1 287 . 12 1 1 A 31 31 HIS CB C 31 28.559 30.422 -1.863 1
1 290 . 12 1 1 A 31 31 HIS N N 31 119.104 119.825 -0.721 1
1 291 . 12 1 1 A 32 32 GLN H H 32 8.297 8.596 -0.299 1
1 292 . 12 1 1 A 32 32 GLN HA H 32 3.646 3.846 -0.200 1
1 299 . 12 1 1 A 32 32 GLN C C 32 177.393 178.527 -1.134 1
1 300 . 12 1 1 A 32 32 GLN CA C 32 59.179 59.003 0.176 1
1 301 . 12 1 1 A 32 32 GLN CB C 32 28.076 28.094 -0.018 1
1 303 . 12 1 1 A 32 32 GLN N N 32 115.048 118.083 -3.035 1
1 305 . 12 1 1 A 33 33 ARG H H 33 7.093 7.817 -0.724 1
1 306 . 12 1 1 A 33 33 ARG HA H 33 4.062 4.059 0.003 1
1 313 . 12 1 1 A 33 33 ARG C C 33 178.632 177.868 0.764 1
1 314 . 12 1 1 A 33 33 ARG CA C 33 58.740 58.791 -0.051 1
1 315 . 12 1 1 A 33 33 ARG CB C 33 30.018 29.747 0.271 1
1 318 . 12 1 1 A 33 33 ARG N N 33 117.429 118.134 -0.705 1
1 319 . 12 1 1 A 34 34 ILE H H 34 7.742 7.900 -0.158 1
1 320 . 12 1 1 A 34 34 ILE HA H 34 3.907 3.754 0.153 1
1 330 . 12 1 1 A 34 34 ILE C C 34 177.477 177.183 0.294 1
1 331 . 12 1 1 A 34 34 ILE CA C 34 62.981 63.717 -0.736 1
1 332 . 12 1 1 A 34 34 ILE CB C 34 37.561 37.284 0.277 1
1 336 . 12 1 1 A 34 34 ILE N N 34 116.287 116.014 0.273 1
1 337 . 12 1 1 A 35 35 HIS H H 35 7.154 7.278 -0.124 1
1 338 . 12 1 1 A 35 35 HIS HA H 35 4.820 4.436 0.384 1
1 343 . 12 1 1 A 35 35 HIS C C 35 175.945 176.113 -0.168 1
1 344 . 12 1 1 A 35 35 HIS CA C 35 55.340 58.952 -3.612 1
1 345 . 12 1 1 A 35 35 HIS CB C 35 28.562 30.742 -2.180 1
1 348 . 12 1 1 A 35 35 HIS N N 35 117.832 119.602 -1.770 1
1 349 . 12 1 1 A 36 36 THR H H 36 7.768 7.658 0.110 1
1 350 . 12 1 1 A 36 36 THR HA H 36 4.280 4.376 -0.096 1
1 355 . 12 1 1 A 36 36 THR C C 36 175.527 174.542 0.985 1
1 356 . 12 1 1 A 36 36 THR CA C 36 62.599 61.206 1.393 1
1 357 . 12 1 1 A 36 36 THR CB C 36 69.779 68.665 1.114 1
1 359 . 12 1 1 A 36 36 THR N N 36 111.677 107.394 4.283 1
1 360 . 12 1 1 A 37 37 GLY H H 37 8.154 8.215 -0.061 1
1 361 . 12 1 1 A 37 37 GLY HA2 H 37 3.961 4.077 -0.116 1
1 362 . 12 1 1 A 37 37 GLY HA3 H 37 3.903 4.080 -0.177 1
1 363 . 12 1 1 A 37 37 GLY C C 37 174.033 173.002 1.031 1
1 364 . 12 1 1 A 37 37 GLY CA C 37 45.278 44.582 0.696 1
1 365 . 12 1 1 A 37 37 GLY N N 37 110.498 111.078 -0.580 1
1 366 . 12 1 1 A 38 38 GLU H H 38 8.043 8.688 -0.645 1
1 367 . 12 1 1 A 38 38 GLU HA H 38 4.178 5.021 -0.843 1
1 372 . 12 1 1 A 38 38 GLU C C 38 176.163 175.034 1.129 1
1 373 . 12 1 1 A 38 38 GLU CA C 38 56.461 55.085 1.376 1
1 374 . 12 1 1 A 38 38 GLU CB C 38 30.437 31.817 -1.380 1
1 376 . 12 1 1 A 38 38 GLU N N 38 120.528 120.159 0.369 1
1 377 . 12 1 1 A 39 39 LYS H H 39 8.342 8.653 -0.311 1
1 378 . 12 1 1 A 39 39 LYS HA H 39 4.549 4.685 -0.136 1
1 387 . 12 1 1 A 39 39 LYS C C 39 174.171 174.191 -0.020 1
1 388 . 12 1 1 A 39 39 LYS CA C 39 54.043 53.414 0.629 1
1 389 . 12 1 1 A 39 39 LYS CB C 39 32.451 36.856 -4.405 1
1 393 . 12 1 1 A 39 39 LYS N N 39 123.761 124.150 -0.389 1
1 394 . 12 1 1 A 40 40 PRO HA H 40 4.405 4.682 -0.277 1
1 401 . 12 1 1 A 40 40 PRO CA C 40 63.060 62.300 0.760 1
1 402 . 12 1 1 A 40 40 PRO CB C 40 32.128 33.314 -1.186 1
1 405 . 12 1 1 A 41 41 SER H H 41 8.479 8.530 -0.051 1
1 406 . 12 1 1 A 41 41 SER HA H 41 4.398 4.728 -0.330 1
1 409 . 12 1 1 A 41 41 SER CA C 41 58.288 56.839 1.449 1
1 410 . 12 1 1 A 41 41 SER CB C 41 63.893 63.278 0.615 1
1 411 . 12 1 1 A 41 41 SER N N 41 116.629 116.414 0.215 1
1 412 . 12 1 1 A 42 42 GLY HA2 H 42 4.040 4.155 -0.115 1
1 413 . 12 1 1 A 42 42 GLY HA3 H 42 4.105 4.156 -0.051 1
1 414 . 12 1 1 A 42 42 GLY CA C 42 44.637 46.178 -1.541 1
1 415 . 12 1 1 A 43 43 PRO HA H 43 4.407 4.669 -0.262 1
1 422 . 12 1 1 A 43 43 PRO CA C 43 63.220 62.727 0.493 1
1 423 . 12 1 1 A 43 43 PRO CB C 43 32.207 33.147 -0.940 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.966 4.022 -0.056 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.966 4.025 -0.059 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.489 172.758 1.731 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.460 44.495 0.965 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.117 8.182 -0.065 1
1 6 . 13 1 1 A 8 8 THR HA H 8 4.307 4.952 -0.645 1
1 11 . 13 1 1 A 8 8 THR C C 8 175.219 173.344 1.875 1
1 12 . 13 1 1 A 8 8 THR CA C 8 61.781 60.836 0.945 1
1 13 . 13 1 1 A 8 8 THR CB C 8 69.794 70.615 -0.821 1
1 15 . 13 1 1 A 8 8 THR N N 8 112.800 115.325 -2.525 1
1 16 . 13 1 1 A 9 9 GLY H H 9 8.403 9.051 -0.648 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 3.961 4.195 -0.234 1
1 18 . 13 1 1 A 9 9 GLY HA3 H 9 3.906 4.198 -0.292 1
1 19 . 13 1 1 A 9 9 GLY C C 9 173.986 174.491 -0.505 1
1 20 . 13 1 1 A 9 9 GLY CA C 9 45.291 44.604 0.687 1
1 21 . 13 1 1 A 9 9 GLY N N 9 110.970 114.103 -3.133 1
1 22 . 13 1 1 A 10 10 GLU H H 10 8.167 8.685 -0.518 1
1 23 . 13 1 1 A 10 10 GLU HA H 10 4.119 4.522 -0.403 1
1 28 . 13 1 1 A 10 10 GLU C C 10 176.245 176.449 -0.204 1
1 29 . 13 1 1 A 10 10 GLU CA C 10 56.761 56.319 0.442 1
1 30 . 13 1 1 A 10 10 GLU CB C 10 30.315 29.665 0.650 1
1 32 . 13 1 1 A 10 10 GLU N N 10 120.318 123.312 -2.994 1
1 33 . 13 1 1 A 11 11 LYS H H 11 8.212 7.311 0.901 1
1 34 . 13 1 1 A 11 11 LYS HA H 11 4.481 4.406 0.075 1
1 43 . 13 1 1 A 11 11 LYS C C 11 174.425 176.351 -1.926 1
1 44 . 13 1 1 A 11 11 LYS CA C 11 53.842 54.644 -0.802 1
1 45 . 13 1 1 A 11 11 LYS CB C 11 33.027 32.526 0.501 1
1 49 . 13 1 1 A 11 11 LYS N N 11 121.767 121.478 0.289 1
1 50 . 13 1 1 A 12 12 PRO HA H 12 4.244 4.373 -0.129 1
1 57 . 13 1 1 A 12 12 PRO C C 12 176.079 175.585 0.494 1
1 58 . 13 1 1 A 12 12 PRO CA C 12 63.283 63.908 -0.625 1
1 59 . 13 1 1 A 12 12 PRO CB C 12 32.187 31.440 0.747 1
1 62 . 13 1 1 A 13 13 TYR H H 13 7.905 7.219 0.686 1
1 63 . 13 1 1 A 13 13 TYR HA H 13 4.586 5.364 -0.778 1
1 70 . 13 1 1 A 13 13 TYR C C 13 174.631 174.316 0.315 1
1 71 . 13 1 1 A 13 13 TYR CA C 13 57.403 56.231 1.172 1
1 72 . 13 1 1 A 13 13 TYR CB C 13 38.592 43.547 -4.955 1
1 77 . 13 1 1 A 13 13 TYR N N 13 118.258 118.917 -0.659 1
1 78 . 13 1 1 A 14 14 ASN H H 14 8.597 9.221 -0.624 1
1 79 . 13 1 1 A 14 14 ASN HA H 14 5.267 5.583 -0.316 1
1 84 . 13 1 1 A 14 14 ASN C C 14 173.616 173.161 0.455 1
1 85 . 13 1 1 A 14 14 ASN CA C 14 52.533 52.576 -0.043 1
1 86 . 13 1 1 A 14 14 ASN CB C 14 41.443 42.687 -1.244 1
1 87 . 13 1 1 A 14 14 ASN N N 14 120.998 117.969 3.029 1
1 89 . 13 1 1 A 15 15 CYS H H 15 9.170 8.686 0.484 1
1 90 . 13 1 1 A 15 15 CYS HA H 15 4.549 4.849 -0.300 1
1 93 . 13 1 1 A 15 15 CYS C C 15 177.267 175.782 1.485 1
1 94 . 13 1 1 A 15 15 CYS CA C 15 59.191 57.698 1.493 1
1 95 . 13 1 1 A 15 15 CYS CB C 15 29.553 29.536 0.017 1
1 96 . 13 1 1 A 15 15 CYS N N 15 124.399 121.303 3.096 1
1 97 . 13 1 1 A 16 16 GLU H H 16 9.526 8.909 0.617 1
1 98 . 13 1 1 A 16 16 GLU HA H 16 4.060 4.098 -0.038 1
1 103 . 13 1 1 A 16 16 GLU C C 16 176.879 177.984 -1.105 1
1 104 . 13 1 1 A 16 16 GLU CA C 16 58.728 58.735 -0.007 1
1 105 . 13 1 1 A 16 16 GLU CB C 16 29.577 30.017 -0.440 1
1 107 . 13 1 1 A 16 16 GLU N N 16 132.063 127.837 4.226 1
1 108 . 13 1 1 A 17 17 GLU H H 17 8.498 7.885 0.613 1
1 109 . 13 1 1 A 17 17 GLU HA H 17 4.116 4.014 0.102 1
1 114 . 13 1 1 A 17 17 GLU C C 17 177.307 177.942 -0.635 1
1 115 . 13 1 1 A 17 17 GLU CA C 17 58.495 58.829 -0.334 1
1 116 . 13 1 1 A 17 17 GLU CB C 17 29.466 29.657 -0.191 1
1 118 . 13 1 1 A 17 17 GLU N N 17 120.260 118.023 2.237 1
1 119 . 13 1 1 A 18 18 CYS H H 18 7.936 8.036 -0.100 1
1 120 . 13 1 1 A 18 18 CYS HA H 18 5.107 4.738 0.369 1
1 123 . 13 1 1 A 18 18 CYS C C 18 176.297 175.551 0.746 1
1 124 . 13 1 1 A 18 18 CYS CA C 18 58.394 59.838 -1.444 1
1 125 . 13 1 1 A 18 18 CYS CB C 18 32.435 29.929 2.506 1
1 126 . 13 1 1 A 18 18 CYS N N 18 114.580 115.005 -0.425 1
1 127 . 13 1 1 A 19 19 GLY H H 19 8.233 8.074 0.159 1
1 128 . 13 1 1 A 19 19 GLY HA2 H 19 3.818 4.082 -0.264 1
1 129 . 13 1 1 A 19 19 GLY HA3 H 19 4.158 4.092 0.066 1
1 130 . 13 1 1 A 19 19 GLY C C 19 174.201 174.456 -0.255 1
1 131 . 13 1 1 A 19 19 GLY CA C 19 46.129 45.116 1.013 1
1 132 . 13 1 1 A 19 19 GLY N N 19 113.640 110.137 3.503 1
1 133 . 13 1 1 A 20 20 LYS H H 20 7.816 7.574 0.242 1
1 134 . 13 1 1 A 20 20 LYS HA H 20 3.889 4.361 -0.472 1
1 143 . 13 1 1 A 20 20 LYS C C 20 173.338 175.854 -2.516 1
1 144 . 13 1 1 A 20 20 LYS CA C 20 58.071 55.498 2.573 1
1 145 . 13 1 1 A 20 20 LYS CB C 20 33.760 32.948 0.812 1
1 149 . 13 1 1 A 20 20 LYS N N 20 123.055 122.143 0.912 1
1 150 . 13 1 1 A 21 21 ALA H H 21 7.624 8.264 -0.640 1
1 151 . 13 1 1 A 21 21 ALA HA H 21 5.029 4.811 0.218 1
1 155 . 13 1 1 A 21 21 ALA C C 21 176.478 176.728 -0.250 1
1 156 . 13 1 1 A 21 21 ALA CA C 21 50.590 51.857 -1.267 1
1 157 . 13 1 1 A 21 21 ALA CB C 21 22.409 19.836 2.573 1
1 158 . 13 1 1 A 21 21 ALA N N 21 123.757 129.150 -5.393 1
1 159 . 13 1 1 A 22 22 PHE H H 22 8.570 8.850 -0.280 1
1 160 . 13 1 1 A 22 22 PHE HA H 22 4.696 4.916 -0.220 1
1 168 . 13 1 1 A 22 22 PHE C C 22 175.081 175.770 -0.689 1
1 169 . 13 1 1 A 22 22 PHE CA C 22 57.093 56.636 0.457 1
1 170 . 13 1 1 A 22 22 PHE CB C 22 43.428 43.123 0.305 1
1 176 . 13 1 1 A 22 22 PHE N N 22 116.997 117.847 -0.850 1
1 177 . 13 1 1 A 23 23 ILE H H 23 8.544 8.583 -0.039 1
1 178 . 13 1 1 A 23 23 ILE HA H 23 4.150 4.133 0.017 1
1 188 . 13 1 1 A 23 23 ILE C C 23 175.250 176.335 -1.085 1
1 189 . 13 1 1 A 23 23 ILE CA C 23 63.146 62.818 0.328 1
1 190 . 13 1 1 A 23 23 ILE CB C 23 38.976 38.935 0.041 1
1 194 . 13 1 1 A 23 23 ILE N N 23 118.524 122.051 -3.527 1
1 195 . 13 1 1 A 24 24 HIS H H 24 7.481 8.263 -0.782 1
1 196 . 13 1 1 A 24 24 HIS HA H 24 4.930 4.977 -0.047 1
1 201 . 13 1 1 A 24 24 HIS C C 24 175.914 174.864 1.050 1
1 202 . 13 1 1 A 24 24 HIS CA C 24 54.508 54.939 -0.431 1
1 203 . 13 1 1 A 24 24 HIS CB C 24 34.064 32.447 1.617 1
1 206 . 13 1 1 A 24 24 HIS N N 24 115.184 117.423 -2.239 1
1 207 . 13 1 1 A 25 25 ASP H H 25 8.313 8.597 -0.284 1
1 208 . 13 1 1 A 25 25 ASP HA H 25 3.499 3.209 0.290 1
1 210 . 13 1 1 A 25 25 ASP C C 25 178.409 177.527 0.882 1
1 211 . 13 1 1 A 25 25 ASP CA C 25 56.851 56.836 0.015 1
1 212 . 13 1 1 A 25 25 ASP CB C 25 40.476 40.776 -0.300 1
1 213 . 13 1 1 A 25 25 ASP N N 25 126.437 122.086 4.351 1
1 214 . 13 1 1 A 26 26 SER H H 26 8.942 8.281 0.661 1
1 215 . 13 1 1 A 26 26 SER HA H 26 3.891 4.203 -0.312 1
1 218 . 13 1 1 A 26 26 SER C C 26 177.293 176.692 0.601 1
1 219 . 13 1 1 A 26 26 SER CA C 26 61.240 61.042 0.198 1
1 220 . 13 1 1 A 26 26 SER CB C 26 61.426 62.575 -1.149 1
1 221 . 13 1 1 A 26 26 SER N N 26 114.987 114.815 0.172 1
1 222 . 13 1 1 A 27 27 GLN H H 27 6.908 7.440 -0.532 1
1 223 . 13 1 1 A 27 27 GLN HA H 27 3.996 4.177 -0.181 1
1 230 . 13 1 1 A 27 27 GLN C C 27 178.844 177.842 1.002 1
1 231 . 13 1 1 A 27 27 GLN CA C 27 57.699 58.047 -0.348 1
1 232 . 13 1 1 A 27 27 GLN CB C 27 28.809 28.672 0.137 1
1 234 . 13 1 1 A 27 27 GLN N N 27 120.797 121.595 -0.798 1
1 236 . 13 1 1 A 28 28 LEU H H 28 6.989 7.355 -0.366 1
1 237 . 13 1 1 A 28 28 LEU HA H 28 3.192 2.337 0.855 1
1 247 . 13 1 1 A 28 28 LEU C C 28 177.795 178.624 -0.829 1
1 248 . 13 1 1 A 28 28 LEU CA C 28 57.807 56.989 0.818 1
1 249 . 13 1 1 A 28 28 LEU CB C 28 40.185 41.120 -0.935 1
1 253 . 13 1 1 A 28 28 LEU N N 28 122.387 120.601 1.786 1
1 254 . 13 1 1 A 29 29 GLN H H 29 8.345 8.255 0.090 1
1 255 . 13 1 1 A 29 29 GLN HA H 29 3.923 3.861 0.062 1
1 262 . 13 1 1 A 29 29 GLN C C 29 179.092 178.376 0.716 1
1 263 . 13 1 1 A 29 29 GLN CA C 29 58.757 59.081 -0.324 1
1 264 . 13 1 1 A 29 29 GLN CB C 29 27.751 28.346 -0.595 1
1 266 . 13 1 1 A 29 29 GLN N N 29 117.492 118.050 -0.558 1
1 268 . 13 1 1 A 30 30 GLU H H 30 7.420 7.783 -0.363 1
1 269 . 13 1 1 A 30 30 GLU HA H 30 3.885 4.115 -0.230 1
1 274 . 13 1 1 A 30 30 GLU C C 30 178.747 178.519 0.228 1
1 275 . 13 1 1 A 30 30 GLU CA C 30 58.958 58.050 0.908 1
1 276 . 13 1 1 A 30 30 GLU CB C 30 29.563 29.520 0.043 1
1 278 . 13 1 1 A 30 30 GLU N N 30 118.075 118.279 -0.204 1
1 279 . 13 1 1 A 31 31 HIS H H 31 7.602 7.911 -0.309 1
1 280 . 13 1 1 A 31 31 HIS HA H 31 4.116 4.407 -0.291 1
1 285 . 13 1 1 A 31 31 HIS C C 31 176.263 177.080 -0.817 1
1 286 . 13 1 1 A 31 31 HIS CA C 31 59.038 58.669 0.369 1
1 287 . 13 1 1 A 31 31 HIS CB C 31 28.559 30.693 -2.134 1
1 290 . 13 1 1 A 31 31 HIS N N 31 119.104 119.705 -0.601 1
1 291 . 13 1 1 A 32 32 GLN H H 32 8.297 8.649 -0.352 1
1 292 . 13 1 1 A 32 32 GLN HA H 32 3.646 3.943 -0.297 1
1 299 . 13 1 1 A 32 32 GLN C C 32 177.393 178.334 -0.941 1
1 300 . 13 1 1 A 32 32 GLN CA C 32 59.179 59.026 0.153 1
1 301 . 13 1 1 A 32 32 GLN CB C 32 28.076 28.137 -0.061 1
1 303 . 13 1 1 A 32 32 GLN N N 32 115.048 118.024 -2.976 1
1 305 . 13 1 1 A 33 33 ARG H H 33 7.093 8.197 -1.104 1
1 306 . 13 1 1 A 33 33 ARG HA H 33 4.062 4.074 -0.012 1
1 313 . 13 1 1 A 33 33 ARG C C 33 178.632 177.773 0.859 1
1 314 . 13 1 1 A 33 33 ARG CA C 33 58.740 58.728 0.012 1
1 315 . 13 1 1 A 33 33 ARG CB C 33 30.018 29.770 0.248 1
1 318 . 13 1 1 A 33 33 ARG N N 33 117.429 118.044 -0.615 1
1 319 . 13 1 1 A 34 34 ILE H H 34 7.742 7.902 -0.160 1
1 320 . 13 1 1 A 34 34 ILE HA H 34 3.907 3.725 0.182 1
1 330 . 13 1 1 A 34 34 ILE C C 34 177.477 177.698 -0.221 1
1 331 . 13 1 1 A 34 34 ILE CA C 34 62.981 63.745 -0.764 1
1 332 . 13 1 1 A 34 34 ILE CB C 34 37.561 37.178 0.383 1
1 336 . 13 1 1 A 34 34 ILE N N 34 116.287 116.184 0.103 1
1 337 . 13 1 1 A 35 35 HIS H H 35 7.154 7.466 -0.312 1
1 338 . 13 1 1 A 35 35 HIS HA H 35 4.820 4.410 0.410 1
1 343 . 13 1 1 A 35 35 HIS C C 35 175.945 176.066 -0.121 1
1 344 . 13 1 1 A 35 35 HIS CA C 35 55.340 58.737 -3.397 1
1 345 . 13 1 1 A 35 35 HIS CB C 35 28.562 31.242 -2.680 1
1 348 . 13 1 1 A 35 35 HIS N N 35 117.832 119.628 -1.796 1
1 349 . 13 1 1 A 36 36 THR H H 36 7.768 7.607 0.161 1
1 350 . 13 1 1 A 36 36 THR HA H 36 4.280 4.495 -0.215 1
1 355 . 13 1 1 A 36 36 THR C C 36 175.527 173.587 1.940 1
1 356 . 13 1 1 A 36 36 THR CA C 36 62.599 60.801 1.798 1
1 357 . 13 1 1 A 36 36 THR CB C 36 69.779 69.080 0.699 1
1 359 . 13 1 1 A 36 36 THR N N 36 111.677 112.517 -0.840 1
1 360 . 13 1 1 A 37 37 GLY H H 37 8.154 8.511 -0.357 1
1 361 . 13 1 1 A 37 37 GLY HA2 H 37 3.961 3.983 -0.022 1
1 362 . 13 1 1 A 37 37 GLY HA3 H 37 3.903 3.989 -0.086 1
1 363 . 13 1 1 A 37 37 GLY C C 37 174.033 173.344 0.689 1
1 364 . 13 1 1 A 37 37 GLY CA C 37 45.278 45.820 -0.542 1
1 365 . 13 1 1 A 37 37 GLY N N 37 110.498 114.809 -4.311 1
1 366 . 13 1 1 A 38 38 GLU H H 38 8.043 8.206 -0.163 1
1 367 . 13 1 1 A 38 38 GLU HA H 38 4.178 4.475 -0.297 1
1 372 . 13 1 1 A 38 38 GLU C C 38 176.163 174.693 1.470 1
1 373 . 13 1 1 A 38 38 GLU CA C 38 56.461 55.279 1.182 1
1 374 . 13 1 1 A 38 38 GLU CB C 38 30.437 28.477 1.960 1
1 376 . 13 1 1 A 38 38 GLU N N 38 120.528 122.566 -2.038 1
1 377 . 13 1 1 A 39 39 LYS H H 39 8.342 7.611 0.731 1
1 378 . 13 1 1 A 39 39 LYS HA H 39 4.549 4.757 -0.208 1
1 387 . 13 1 1 A 39 39 LYS C C 39 174.171 173.927 0.244 1
1 388 . 13 1 1 A 39 39 LYS CA C 39 54.043 52.904 1.139 1
1 389 . 13 1 1 A 39 39 LYS CB C 39 32.451 34.272 -1.821 1
1 393 . 13 1 1 A 39 39 LYS N N 39 123.761 125.429 -1.668 1
1 394 . 13 1 1 A 40 40 PRO HA H 40 4.405 4.607 -0.202 1
1 401 . 13 1 1 A 40 40 PRO CA C 40 63.060 62.307 0.753 1
1 402 . 13 1 1 A 40 40 PRO CB C 40 32.128 33.283 -1.155 1
1 405 . 13 1 1 A 41 41 SER H H 41 8.479 8.471 0.008 1
1 406 . 13 1 1 A 41 41 SER HA H 41 4.398 4.511 -0.113 1
1 409 . 13 1 1 A 41 41 SER CA C 41 58.288 57.357 0.931 1
1 410 . 13 1 1 A 41 41 SER CB C 41 63.893 62.577 1.316 1
1 411 . 13 1 1 A 41 41 SER N N 41 116.629 114.621 2.008 1
1 412 . 13 1 1 A 42 42 GLY HA2 H 42 4.040 3.928 0.112 1
1 413 . 13 1 1 A 42 42 GLY HA3 H 42 4.105 3.928 0.177 1
1 414 . 13 1 1 A 42 42 GLY CA C 42 44.637 46.881 -2.244 1
1 415 . 13 1 1 A 43 43 PRO HA H 43 4.407 4.324 0.083 1
1 422 . 13 1 1 A 43 43 PRO CA C 43 63.220 64.734 -1.514 1
1 423 . 13 1 1 A 43 43 PRO CB C 43 32.207 32.041 0.166 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.966 4.196 -0.230 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.966 4.196 -0.230 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.489 174.664 -0.175 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.460 44.955 0.505 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.117 8.378 -0.261 1
1 6 . 14 1 1 A 8 8 THR HA H 8 4.307 4.297 0.010 1
1 11 . 14 1 1 A 8 8 THR C C 8 175.219 174.798 0.421 1
1 12 . 14 1 1 A 8 8 THR CA C 8 61.781 64.046 -2.265 1
1 13 . 14 1 1 A 8 8 THR CB C 8 69.794 69.527 0.267 1
1 15 . 14 1 1 A 8 8 THR N N 8 112.800 116.738 -3.938 1
1 16 . 14 1 1 A 9 9 GLY H H 9 8.403 7.280 1.123 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 3.961 4.010 -0.049 1
1 18 . 14 1 1 A 9 9 GLY HA3 H 9 3.906 4.014 -0.108 1
1 19 . 14 1 1 A 9 9 GLY C C 9 173.986 174.096 -0.110 1
1 20 . 14 1 1 A 9 9 GLY CA C 9 45.291 45.943 -0.652 1
1 21 . 14 1 1 A 9 9 GLY N N 9 110.970 105.198 5.772 1
1 22 . 14 1 1 A 10 10 GLU H H 10 8.167 8.604 -0.437 1
1 23 . 14 1 1 A 10 10 GLU HA H 10 4.119 4.501 -0.382 1
1 28 . 14 1 1 A 10 10 GLU C C 10 176.245 176.630 -0.385 1
1 29 . 14 1 1 A 10 10 GLU CA C 10 56.761 56.520 0.241 1
1 30 . 14 1 1 A 10 10 GLU CB C 10 30.315 30.003 0.312 1
1 32 . 14 1 1 A 10 10 GLU N N 10 120.318 121.229 -0.911 1
1 33 . 14 1 1 A 11 11 LYS H H 11 8.212 7.319 0.893 1
1 34 . 14 1 1 A 11 11 LYS HA H 11 4.481 4.457 0.024 1
1 43 . 14 1 1 A 11 11 LYS C C 11 174.425 176.404 -1.979 1
1 44 . 14 1 1 A 11 11 LYS CA C 11 53.842 54.448 -0.606 1
1 45 . 14 1 1 A 11 11 LYS CB C 11 33.027 32.902 0.125 1
1 49 . 14 1 1 A 11 11 LYS N N 11 121.767 121.373 0.394 1
1 50 . 14 1 1 A 12 12 PRO HA H 12 4.244 4.379 -0.135 1
1 57 . 14 1 1 A 12 12 PRO C C 12 176.079 175.586 0.493 1
1 58 . 14 1 1 A 12 12 PRO CA C 12 63.283 63.915 -0.632 1
1 59 . 14 1 1 A 12 12 PRO CB C 12 32.187 31.382 0.805 1
1 62 . 14 1 1 A 13 13 TYR H H 13 7.905 7.286 0.619 1
1 63 . 14 1 1 A 13 13 TYR HA H 13 4.586 5.368 -0.782 1
1 70 . 14 1 1 A 13 13 TYR C C 13 174.631 174.367 0.264 1
1 71 . 14 1 1 A 13 13 TYR CA C 13 57.403 56.317 1.086 1
1 72 . 14 1 1 A 13 13 TYR CB C 13 38.592 43.410 -4.818 1
1 77 . 14 1 1 A 13 13 TYR N N 13 118.258 118.949 -0.691 1
1 78 . 14 1 1 A 14 14 ASN H H 14 8.597 9.054 -0.457 1
1 79 . 14 1 1 A 14 14 ASN HA H 14 5.267 5.806 -0.539 1
1 84 . 14 1 1 A 14 14 ASN C C 14 173.616 173.090 0.526 1
1 85 . 14 1 1 A 14 14 ASN CA C 14 52.533 52.295 0.238 1
1 86 . 14 1 1 A 14 14 ASN CB C 14 41.443 43.012 -1.569 1
1 87 . 14 1 1 A 14 14 ASN N N 14 120.998 117.799 3.199 1
1 89 . 14 1 1 A 15 15 CYS H H 15 9.170 9.222 -0.052 1
1 90 . 14 1 1 A 15 15 CYS HA H 15 4.549 4.948 -0.399 1
1 93 . 14 1 1 A 15 15 CYS C C 15 177.267 175.751 1.516 1
1 94 . 14 1 1 A 15 15 CYS CA C 15 59.191 57.478 1.713 1
1 95 . 14 1 1 A 15 15 CYS CB C 15 29.553 29.880 -0.327 1
1 96 . 14 1 1 A 15 15 CYS N N 15 124.399 120.030 4.369 1
1 97 . 14 1 1 A 16 16 GLU H H 16 9.526 8.941 0.585 1
1 98 . 14 1 1 A 16 16 GLU HA H 16 4.060 4.216 -0.156 1
1 103 . 14 1 1 A 16 16 GLU C C 16 176.879 178.095 -1.216 1
1 104 . 14 1 1 A 16 16 GLU CA C 16 58.728 58.490 0.238 1
1 105 . 14 1 1 A 16 16 GLU CB C 16 29.577 29.837 -0.260 1
1 107 . 14 1 1 A 16 16 GLU N N 16 132.063 127.884 4.179 1
1 108 . 14 1 1 A 17 17 GLU H H 17 8.498 7.997 0.501 1
1 109 . 14 1 1 A 17 17 GLU HA H 17 4.116 3.946 0.170 1
1 114 . 14 1 1 A 17 17 GLU C C 17 177.307 177.793 -0.486 1
1 115 . 14 1 1 A 17 17 GLU CA C 17 58.495 58.875 -0.380 1
1 116 . 14 1 1 A 17 17 GLU CB C 17 29.466 29.420 0.046 1
1 118 . 14 1 1 A 17 17 GLU N N 17 120.260 117.892 2.368 1
1 119 . 14 1 1 A 18 18 CYS H H 18 7.936 7.916 0.020 1
1 120 . 14 1 1 A 18 18 CYS HA H 18 5.107 4.682 0.425 1
1 123 . 14 1 1 A 18 18 CYS C C 18 176.297 175.401 0.896 1
1 124 . 14 1 1 A 18 18 CYS CA C 18 58.394 59.557 -1.163 1
1 125 . 14 1 1 A 18 18 CYS CB C 18 32.435 30.040 2.395 1
1 126 . 14 1 1 A 18 18 CYS N N 18 114.580 114.986 -0.406 1
1 127 . 14 1 1 A 19 19 GLY H H 19 8.233 8.100 0.133 1
1 128 . 14 1 1 A 19 19 GLY HA2 H 19 3.818 4.069 -0.251 1
1 129 . 14 1 1 A 19 19 GLY HA3 H 19 4.158 4.082 0.076 1
1 130 . 14 1 1 A 19 19 GLY C C 19 174.201 174.359 -0.158 1
1 131 . 14 1 1 A 19 19 GLY CA C 19 46.129 45.233 0.896 1
1 132 . 14 1 1 A 19 19 GLY N N 19 113.640 110.319 3.321 1
1 133 . 14 1 1 A 20 20 LYS H H 20 7.816 7.832 -0.016 1
1 134 . 14 1 1 A 20 20 LYS HA H 20 3.889 4.495 -0.606 1
1 143 . 14 1 1 A 20 20 LYS C C 20 173.338 175.530 -2.192 1
1 144 . 14 1 1 A 20 20 LYS CA C 20 58.071 55.456 2.615 1
1 145 . 14 1 1 A 20 20 LYS CB C 20 33.760 34.319 -0.559 1
1 149 . 14 1 1 A 20 20 LYS N N 20 123.055 119.273 3.782 1
1 150 . 14 1 1 A 21 21 ALA H H 21 7.624 8.183 -0.559 1
1 151 . 14 1 1 A 21 21 ALA HA H 21 5.029 5.485 -0.456 1
1 155 . 14 1 1 A 21 21 ALA C C 21 176.478 175.241 1.237 1
1 156 . 14 1 1 A 21 21 ALA CA C 21 50.590 49.918 0.672 1
1 157 . 14 1 1 A 21 21 ALA CB C 21 22.409 23.137 -0.728 1
1 158 . 14 1 1 A 21 21 ALA N N 21 123.757 120.749 3.008 1
1 159 . 14 1 1 A 22 22 PHE H H 22 8.570 9.098 -0.528 1
1 160 . 14 1 1 A 22 22 PHE HA H 22 4.696 4.922 -0.226 1
1 168 . 14 1 1 A 22 22 PHE C C 22 175.081 175.670 -0.589 1
1 169 . 14 1 1 A 22 22 PHE CA C 22 57.093 56.468 0.625 1
1 170 . 14 1 1 A 22 22 PHE CB C 22 43.428 43.461 -0.033 1
1 176 . 14 1 1 A 22 22 PHE N N 22 116.997 116.186 0.811 1
1 177 . 14 1 1 A 23 23 ILE H H 23 8.544 8.646 -0.102 1
1 178 . 14 1 1 A 23 23 ILE HA H 23 4.150 4.146 0.004 1
1 188 . 14 1 1 A 23 23 ILE C C 23 175.250 176.248 -0.998 1
1 189 . 14 1 1 A 23 23 ILE CA C 23 63.146 62.747 0.399 1
1 190 . 14 1 1 A 23 23 ILE CB C 23 38.976 38.934 0.042 1
1 194 . 14 1 1 A 23 23 ILE N N 23 118.524 122.128 -3.604 1
1 195 . 14 1 1 A 24 24 HIS H H 24 7.481 8.207 -0.726 1
1 196 . 14 1 1 A 24 24 HIS HA H 24 4.930 4.901 0.029 1
1 201 . 14 1 1 A 24 24 HIS C C 24 175.914 174.833 1.081 1
1 202 . 14 1 1 A 24 24 HIS CA C 24 54.508 54.418 0.090 1
1 203 . 14 1 1 A 24 24 HIS CB C 24 34.064 32.046 2.018 1
1 206 . 14 1 1 A 24 24 HIS N N 24 115.184 118.447 -3.263 1
1 207 . 14 1 1 A 25 25 ASP H H 25 8.313 8.884 -0.571 1
1 208 . 14 1 1 A 25 25 ASP HA H 25 3.499 3.300 0.199 1
1 210 . 14 1 1 A 25 25 ASP C C 25 178.409 177.928 0.481 1
1 211 . 14 1 1 A 25 25 ASP CA C 25 56.851 56.637 0.214 1
1 212 . 14 1 1 A 25 25 ASP CB C 25 40.476 39.624 0.852 1
1 213 . 14 1 1 A 25 25 ASP N N 25 126.437 122.860 3.577 1
1 214 . 14 1 1 A 26 26 SER H H 26 8.942 8.304 0.638 1
1 215 . 14 1 1 A 26 26 SER HA H 26 3.891 4.118 -0.227 1
1 218 . 14 1 1 A 26 26 SER C C 26 177.293 176.947 0.346 1
1 219 . 14 1 1 A 26 26 SER CA C 26 61.240 61.751 -0.511 1
1 220 . 14 1 1 A 26 26 SER CB C 26 61.426 62.719 -1.293 1
1 221 . 14 1 1 A 26 26 SER N N 26 114.987 113.876 1.111 1
1 222 . 14 1 1 A 27 27 GLN H H 27 6.908 7.811 -0.903 1
1 223 . 14 1 1 A 27 27 GLN HA H 27 3.996 3.977 0.019 1
1 230 . 14 1 1 A 27 27 GLN C C 27 178.844 177.947 0.897 1
1 231 . 14 1 1 A 27 27 GLN CA C 27 57.699 58.855 -1.156 1
1 232 . 14 1 1 A 27 27 GLN CB C 27 28.809 28.458 0.351 1
1 234 . 14 1 1 A 27 27 GLN N N 27 120.797 121.531 -0.734 1
1 236 . 14 1 1 A 28 28 LEU H H 28 6.989 7.560 -0.571 1
1 237 . 14 1 1 A 28 28 LEU HA H 28 3.192 2.068 1.124 1
1 247 . 14 1 1 A 28 28 LEU C C 28 177.795 178.324 -0.529 1
1 248 . 14 1 1 A 28 28 LEU CA C 28 57.807 57.209 0.598 1
1 249 . 14 1 1 A 28 28 LEU CB C 28 40.185 41.128 -0.943 1
1 253 . 14 1 1 A 28 28 LEU N N 28 122.387 121.138 1.249 1
1 254 . 14 1 1 A 29 29 GLN H H 29 8.345 8.449 -0.104 1
1 255 . 14 1 1 A 29 29 GLN HA H 29 3.923 3.802 0.121 1
1 262 . 14 1 1 A 29 29 GLN C C 29 179.092 178.408 0.684 1
1 263 . 14 1 1 A 29 29 GLN CA C 29 58.757 59.051 -0.294 1
1 264 . 14 1 1 A 29 29 GLN CB C 29 27.751 28.233 -0.482 1
1 266 . 14 1 1 A 29 29 GLN N N 29 117.492 117.614 -0.122 1
1 268 . 14 1 1 A 30 30 GLU H H 30 7.420 7.627 -0.207 1
1 269 . 14 1 1 A 30 30 GLU HA H 30 3.885 4.071 -0.186 1
1 274 . 14 1 1 A 30 30 GLU C C 30 178.747 178.627 0.120 1
1 275 . 14 1 1 A 30 30 GLU CA C 30 58.958 58.434 0.524 1
1 276 . 14 1 1 A 30 30 GLU CB C 30 29.563 29.446 0.117 1
1 278 . 14 1 1 A 30 30 GLU N N 30 118.075 118.185 -0.110 1
1 279 . 14 1 1 A 31 31 HIS H H 31 7.602 8.209 -0.607 1
1 280 . 14 1 1 A 31 31 HIS HA H 31 4.116 4.380 -0.264 1
1 285 . 14 1 1 A 31 31 HIS C C 31 176.263 177.015 -0.752 1
1 286 . 14 1 1 A 31 31 HIS CA C 31 59.038 58.475 0.563 1
1 287 . 14 1 1 A 31 31 HIS CB C 31 28.559 30.588 -2.029 1
1 290 . 14 1 1 A 31 31 HIS N N 31 119.104 119.815 -0.711 1
1 291 . 14 1 1 A 32 32 GLN H H 32 8.297 8.627 -0.330 1
1 292 . 14 1 1 A 32 32 GLN HA H 32 3.646 3.809 -0.163 1
1 299 . 14 1 1 A 32 32 GLN C C 32 177.393 178.330 -0.937 1
1 300 . 14 1 1 A 32 32 GLN CA C 32 59.179 58.961 0.218 1
1 301 . 14 1 1 A 32 32 GLN CB C 32 28.076 28.167 -0.091 1
1 303 . 14 1 1 A 32 32 GLN N N 32 115.048 117.958 -2.910 1
1 305 . 14 1 1 A 33 33 ARG H H 33 7.093 7.644 -0.551 1
1 306 . 14 1 1 A 33 33 ARG HA H 33 4.062 4.027 0.035 1
1 313 . 14 1 1 A 33 33 ARG C C 33 178.632 177.633 0.999 1
1 314 . 14 1 1 A 33 33 ARG CA C 33 58.740 58.493 0.247 1
1 315 . 14 1 1 A 33 33 ARG CB C 33 30.018 29.930 0.088 1
1 318 . 14 1 1 A 33 33 ARG N N 33 117.429 118.052 -0.623 1
1 319 . 14 1 1 A 34 34 ILE H H 34 7.742 7.802 -0.060 1
1 320 . 14 1 1 A 34 34 ILE HA H 34 3.907 3.684 0.223 1
1 330 . 14 1 1 A 34 34 ILE C C 34 177.477 177.249 0.228 1
1 331 . 14 1 1 A 34 34 ILE CA C 34 62.981 63.578 -0.597 1
1 332 . 14 1 1 A 34 34 ILE CB C 34 37.561 37.164 0.397 1
1 336 . 14 1 1 A 34 34 ILE N N 34 116.287 116.064 0.223 1
1 337 . 14 1 1 A 35 35 HIS H H 35 7.154 7.468 -0.314 1
1 338 . 14 1 1 A 35 35 HIS HA H 35 4.820 4.477 0.343 1
1 343 . 14 1 1 A 35 35 HIS C C 35 175.945 175.365 0.580 1
1 344 . 14 1 1 A 35 35 HIS CA C 35 55.340 58.323 -2.983 1
1 345 . 14 1 1 A 35 35 HIS CB C 35 28.562 30.955 -2.393 1
1 348 . 14 1 1 A 35 35 HIS N N 35 117.832 119.272 -1.440 1
1 349 . 14 1 1 A 36 36 THR H H 36 7.768 7.569 0.199 1
1 350 . 14 1 1 A 36 36 THR HA H 36 4.280 4.061 0.219 1
1 355 . 14 1 1 A 36 36 THR C C 36 175.527 175.216 0.311 1
1 356 . 14 1 1 A 36 36 THR CA C 36 62.599 63.484 -0.885 1
1 357 . 14 1 1 A 36 36 THR CB C 36 69.779 68.326 1.453 1
1 359 . 14 1 1 A 36 36 THR N N 36 111.677 108.569 3.108 1
1 360 . 14 1 1 A 37 37 GLY H H 37 8.154 8.770 -0.616 1
1 361 . 14 1 1 A 37 37 GLY HA2 H 37 3.961 4.085 -0.124 1
1 362 . 14 1 1 A 37 37 GLY HA3 H 37 3.903 4.090 -0.187 1
1 363 . 14 1 1 A 37 37 GLY C C 37 174.033 173.819 0.214 1
1 364 . 14 1 1 A 37 37 GLY CA C 37 45.278 45.883 -0.605 1
1 365 . 14 1 1 A 37 37 GLY N N 37 110.498 114.843 -4.345 1
1 366 . 14 1 1 A 38 38 GLU H H 38 8.043 7.824 0.219 1
1 367 . 14 1 1 A 38 38 GLU HA H 38 4.178 4.971 -0.793 1
1 372 . 14 1 1 A 38 38 GLU C C 38 176.163 175.543 0.620 1
1 373 . 14 1 1 A 38 38 GLU CA C 38 56.461 54.288 2.173 1
1 374 . 14 1 1 A 38 38 GLU CB C 38 30.437 32.401 -1.964 1
1 376 . 14 1 1 A 38 38 GLU N N 38 120.528 115.626 4.902 1
1 377 . 14 1 1 A 39 39 LYS H H 39 8.342 8.329 0.013 1
1 378 . 14 1 1 A 39 39 LYS HA H 39 4.549 4.308 0.241 1
1 387 . 14 1 1 A 39 39 LYS C C 39 174.171 174.723 -0.552 1
1 388 . 14 1 1 A 39 39 LYS CA C 39 54.043 55.217 -1.174 1
1 389 . 14 1 1 A 39 39 LYS CB C 39 32.451 31.938 0.513 1
1 393 . 14 1 1 A 39 39 LYS N N 39 123.761 120.714 3.047 1
1 394 . 14 1 1 A 40 40 PRO HA H 40 4.405 4.612 -0.207 1
1 401 . 14 1 1 A 40 40 PRO CA C 40 63.060 62.387 0.673 1
1 402 . 14 1 1 A 40 40 PRO CB C 40 32.128 32.964 -0.836 1
1 405 . 14 1 1 A 41 41 SER H H 41 8.479 8.462 0.017 1
1 406 . 14 1 1 A 41 41 SER HA H 41 4.398 4.656 -0.258 1
1 409 . 14 1 1 A 41 41 SER CA C 41 58.288 57.495 0.793 1
1 410 . 14 1 1 A 41 41 SER CB C 41 63.893 63.618 0.275 1
1 411 . 14 1 1 A 41 41 SER N N 41 116.629 117.143 -0.514 1
1 412 . 14 1 1 A 42 42 GLY HA2 H 42 4.040 3.875 0.165 1
1 413 . 14 1 1 A 42 42 GLY HA3 H 42 4.105 3.876 0.229 1
1 414 . 14 1 1 A 42 42 GLY CA C 42 44.637 46.953 -2.316 1
1 415 . 14 1 1 A 43 43 PRO HA H 43 4.407 4.381 0.026 1
1 422 . 14 1 1 A 43 43 PRO CA C 43 63.220 63.178 0.042 1
1 423 . 14 1 1 A 43 43 PRO CB C 43 32.207 32.210 -0.003 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.966 4.328 -0.362 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.966 4.332 -0.366 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.489 174.495 -0.006 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.460 43.881 1.579 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.117 8.867 -0.750 1
1 6 . 15 1 1 A 8 8 THR HA H 8 4.307 4.086 0.221 1
1 11 . 15 1 1 A 8 8 THR C C 8 175.219 174.262 0.957 1
1 12 . 15 1 1 A 8 8 THR CA C 8 61.781 62.922 -1.141 1
1 13 . 15 1 1 A 8 8 THR CB C 8 69.794 66.606 3.188 1
1 15 . 15 1 1 A 8 8 THR N N 8 112.800 118.859 -6.059 1
1 16 . 15 1 1 A 9 9 GLY H H 9 8.403 8.452 -0.049 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 3.961 4.041 -0.080 1
1 18 . 15 1 1 A 9 9 GLY HA3 H 9 3.906 4.043 -0.137 1
1 19 . 15 1 1 A 9 9 GLY C C 9 173.986 173.015 0.971 1
1 20 . 15 1 1 A 9 9 GLY CA C 9 45.291 44.669 0.622 1
1 21 . 15 1 1 A 9 9 GLY N N 9 110.970 111.398 -0.428 1
1 22 . 15 1 1 A 10 10 GLU H H 10 8.167 8.472 -0.305 1
1 23 . 15 1 1 A 10 10 GLU HA H 10 4.119 4.812 -0.693 1
1 28 . 15 1 1 A 10 10 GLU C C 10 176.245 175.935 0.310 1
1 29 . 15 1 1 A 10 10 GLU CA C 10 56.761 55.371 1.390 1
1 30 . 15 1 1 A 10 10 GLU CB C 10 30.315 30.958 -0.643 1
1 32 . 15 1 1 A 10 10 GLU N N 10 120.318 120.643 -0.325 1
1 33 . 15 1 1 A 11 11 LYS H H 11 8.212 8.708 -0.496 1
1 34 . 15 1 1 A 11 11 LYS HA H 11 4.481 4.889 -0.408 1
1 43 . 15 1 1 A 11 11 LYS C C 11 174.425 176.199 -1.774 1
1 44 . 15 1 1 A 11 11 LYS CA C 11 53.842 52.610 1.232 1
1 45 . 15 1 1 A 11 11 LYS CB C 11 33.027 32.702 0.325 1
1 49 . 15 1 1 A 11 11 LYS N N 11 121.767 125.175 -3.408 1
1 50 . 15 1 1 A 12 12 PRO HA H 12 4.244 4.376 -0.132 1
1 57 . 15 1 1 A 12 12 PRO C C 12 176.079 175.608 0.471 1
1 58 . 15 1 1 A 12 12 PRO CA C 12 63.283 63.922 -0.639 1
1 59 . 15 1 1 A 12 12 PRO CB C 12 32.187 31.376 0.811 1
1 62 . 15 1 1 A 13 13 TYR H H 13 7.905 7.293 0.612 1
1 63 . 15 1 1 A 13 13 TYR HA H 13 4.586 5.346 -0.760 1
1 70 . 15 1 1 A 13 13 TYR C C 13 174.631 174.849 -0.218 1
1 71 . 15 1 1 A 13 13 TYR CA C 13 57.403 56.630 0.773 1
1 72 . 15 1 1 A 13 13 TYR CB C 13 38.592 42.926 -4.334 1
1 77 . 15 1 1 A 13 13 TYR N N 13 118.258 118.993 -0.735 1
1 78 . 15 1 1 A 14 14 ASN H H 14 8.597 9.029 -0.432 1
1 79 . 15 1 1 A 14 14 ASN HA H 14 5.267 5.666 -0.399 1
1 84 . 15 1 1 A 14 14 ASN C C 14 173.616 173.889 -0.273 1
1 85 . 15 1 1 A 14 14 ASN CA C 14 52.533 52.554 -0.021 1
1 86 . 15 1 1 A 14 14 ASN CB C 14 41.443 42.497 -1.054 1
1 87 . 15 1 1 A 14 14 ASN N N 14 120.998 117.859 3.139 1
1 89 . 15 1 1 A 15 15 CYS H H 15 9.170 9.429 -0.259 1
1 90 . 15 1 1 A 15 15 CYS HA H 15 4.549 4.535 0.014 1
1 93 . 15 1 1 A 15 15 CYS C C 15 177.267 176.226 1.041 1
1 94 . 15 1 1 A 15 15 CYS CA C 15 59.191 59.964 -0.773 1
1 95 . 15 1 1 A 15 15 CYS CB C 15 29.553 28.606 0.947 1
1 96 . 15 1 1 A 15 15 CYS N N 15 124.399 123.411 0.988 1
1 97 . 15 1 1 A 16 16 GLU H H 16 9.526 9.151 0.375 1
1 98 . 15 1 1 A 16 16 GLU HA H 16 4.060 4.596 -0.536 1
1 103 . 15 1 1 A 16 16 GLU C C 16 176.879 177.356 -0.477 1
1 104 . 15 1 1 A 16 16 GLU CA C 16 58.728 55.966 2.762 1
1 105 . 15 1 1 A 16 16 GLU CB C 16 29.577 29.944 -0.367 1
1 107 . 15 1 1 A 16 16 GLU N N 16 132.063 127.930 4.133 1
1 108 . 15 1 1 A 17 17 GLU H H 17 8.498 7.906 0.592 1
1 109 . 15 1 1 A 17 17 GLU HA H 17 4.116 4.396 -0.280 1
1 114 . 15 1 1 A 17 17 GLU C C 17 177.307 177.580 -0.273 1
1 115 . 15 1 1 A 17 17 GLU CA C 17 58.495 56.738 1.757 1
1 116 . 15 1 1 A 17 17 GLU CB C 17 29.466 31.379 -1.913 1
1 118 . 15 1 1 A 17 17 GLU N N 17 120.260 120.368 -0.108 1
1 119 . 15 1 1 A 18 18 CYS H H 18 7.936 8.079 -0.143 1
1 120 . 15 1 1 A 18 18 CYS HA H 18 5.107 4.753 0.354 1
1 123 . 15 1 1 A 18 18 CYS C C 18 176.297 175.601 0.696 1
1 124 . 15 1 1 A 18 18 CYS CA C 18 58.394 59.754 -1.360 1
1 125 . 15 1 1 A 18 18 CYS CB C 18 32.435 29.837 2.598 1
1 126 . 15 1 1 A 18 18 CYS N N 18 114.580 115.246 -0.666 1
1 127 . 15 1 1 A 19 19 GLY H H 19 8.233 8.006 0.227 1
1 128 . 15 1 1 A 19 19 GLY HA2 H 19 3.818 4.057 -0.239 1
1 129 . 15 1 1 A 19 19 GLY HA3 H 19 4.158 4.067 0.091 1
1 130 . 15 1 1 A 19 19 GLY C C 19 174.201 174.565 -0.364 1
1 131 . 15 1 1 A 19 19 GLY CA C 19 46.129 45.301 0.828 1
1 132 . 15 1 1 A 19 19 GLY N N 19 113.640 109.774 3.866 1
1 133 . 15 1 1 A 20 20 LYS H H 20 7.816 7.974 -0.158 1
1 134 . 15 1 1 A 20 20 LYS HA H 20 3.889 4.176 -0.287 1
1 143 . 15 1 1 A 20 20 LYS C C 20 173.338 175.558 -2.220 1
1 144 . 15 1 1 A 20 20 LYS CA C 20 58.071 56.706 1.365 1
1 145 . 15 1 1 A 20 20 LYS CB C 20 33.760 33.303 0.457 1
1 149 . 15 1 1 A 20 20 LYS N N 20 123.055 122.464 0.591 1
1 150 . 15 1 1 A 21 21 ALA H H 21 7.624 8.201 -0.577 1
1 151 . 15 1 1 A 21 21 ALA HA H 21 5.029 5.478 -0.449 1
1 155 . 15 1 1 A 21 21 ALA C C 21 176.478 176.085 0.393 1
1 156 . 15 1 1 A 21 21 ALA CA C 21 50.590 50.133 0.457 1
1 157 . 15 1 1 A 21 21 ALA CB C 21 22.409 22.926 -0.517 1
1 158 . 15 1 1 A 21 21 ALA N N 21 123.757 126.902 -3.145 1
1 159 . 15 1 1 A 22 22 PHE H H 22 8.570 9.104 -0.534 1
1 160 . 15 1 1 A 22 22 PHE HA H 22 4.696 4.930 -0.234 1
1 168 . 15 1 1 A 22 22 PHE C C 22 175.081 175.586 -0.505 1
1 169 . 15 1 1 A 22 22 PHE CA C 22 57.093 56.513 0.580 1
1 170 . 15 1 1 A 22 22 PHE CB C 22 43.428 43.492 -0.064 1
1 176 . 15 1 1 A 22 22 PHE N N 22 116.997 116.067 0.930 1
1 177 . 15 1 1 A 23 23 ILE H H 23 8.544 8.733 -0.189 1
1 178 . 15 1 1 A 23 23 ILE HA H 23 4.150 4.198 -0.048 1
1 188 . 15 1 1 A 23 23 ILE C C 23 175.250 176.186 -0.936 1
1 189 . 15 1 1 A 23 23 ILE CA C 23 63.146 62.646 0.500 1
1 190 . 15 1 1 A 23 23 ILE CB C 23 38.976 38.754 0.222 1
1 194 . 15 1 1 A 23 23 ILE N N 23 118.524 121.422 -2.898 1
1 195 . 15 1 1 A 24 24 HIS H H 24 7.481 8.072 -0.591 1
1 196 . 15 1 1 A 24 24 HIS HA H 24 4.930 4.942 -0.012 1
1 201 . 15 1 1 A 24 24 HIS C C 24 175.914 174.623 1.291 1
1 202 . 15 1 1 A 24 24 HIS CA C 24 54.508 54.162 0.346 1
1 203 . 15 1 1 A 24 24 HIS CB C 24 34.064 32.477 1.587 1
1 206 . 15 1 1 A 24 24 HIS N N 24 115.184 118.497 -3.313 1
1 207 . 15 1 1 A 25 25 ASP H H 25 8.313 8.512 -0.199 1
1 208 . 15 1 1 A 25 25 ASP HA H 25 3.499 3.239 0.260 1
1 210 . 15 1 1 A 25 25 ASP C C 25 178.409 177.741 0.668 1
1 211 . 15 1 1 A 25 25 ASP CA C 25 56.851 57.283 -0.432 1
1 212 . 15 1 1 A 25 25 ASP CB C 25 40.476 40.652 -0.176 1
1 213 . 15 1 1 A 25 25 ASP N N 25 126.437 123.620 2.817 1
1 214 . 15 1 1 A 26 26 SER H H 26 8.942 8.313 0.629 1
1 215 . 15 1 1 A 26 26 SER HA H 26 3.891 4.203 -0.312 1
1 218 . 15 1 1 A 26 26 SER C C 26 177.293 176.918 0.375 1
1 219 . 15 1 1 A 26 26 SER CA C 26 61.240 61.763 -0.523 1
1 220 . 15 1 1 A 26 26 SER CB C 26 61.426 62.778 -1.352 1
1 221 . 15 1 1 A 26 26 SER N N 26 114.987 113.263 1.724 1
1 222 . 15 1 1 A 27 27 GLN H H 27 6.908 7.892 -0.984 1
1 223 . 15 1 1 A 27 27 GLN HA H 27 3.996 4.065 -0.069 1
1 230 . 15 1 1 A 27 27 GLN C C 27 178.844 178.094 0.750 1
1 231 . 15 1 1 A 27 27 GLN CA C 27 57.699 58.930 -1.231 1
1 232 . 15 1 1 A 27 27 GLN CB C 27 28.809 28.526 0.283 1
1 234 . 15 1 1 A 27 27 GLN N N 27 120.797 121.432 -0.635 1
1 236 . 15 1 1 A 28 28 LEU H H 28 6.989 7.568 -0.579 1
1 237 . 15 1 1 A 28 28 LEU HA H 28 3.192 1.963 1.229 1
1 247 . 15 1 1 A 28 28 LEU C C 28 177.795 178.245 -0.450 1
1 248 . 15 1 1 A 28 28 LEU CA C 28 57.807 57.285 0.522 1
1 249 . 15 1 1 A 28 28 LEU CB C 28 40.185 41.273 -1.088 1
1 253 . 15 1 1 A 28 28 LEU N N 28 122.387 121.094 1.293 1
1 254 . 15 1 1 A 29 29 GLN H H 29 8.345 8.452 -0.107 1
1 255 . 15 1 1 A 29 29 GLN HA H 29 3.923 3.821 0.102 1
1 262 . 15 1 1 A 29 29 GLN C C 29 179.092 178.321 0.771 1
1 263 . 15 1 1 A 29 29 GLN CA C 29 58.757 59.439 -0.682 1
1 264 . 15 1 1 A 29 29 GLN CB C 29 27.751 27.925 -0.174 1
1 266 . 15 1 1 A 29 29 GLN N N 29 117.492 117.408 0.084 1
1 268 . 15 1 1 A 30 30 GLU H H 30 7.420 8.186 -0.766 1
1 269 . 15 1 1 A 30 30 GLU HA H 30 3.885 4.026 -0.141 1
1 274 . 15 1 1 A 30 30 GLU C C 30 178.747 179.006 -0.259 1
1 275 . 15 1 1 A 30 30 GLU CA C 30 58.958 59.195 -0.237 1
1 276 . 15 1 1 A 30 30 GLU CB C 30 29.563 29.303 0.260 1
1 278 . 15 1 1 A 30 30 GLU N N 30 118.075 119.915 -1.840 1
1 279 . 15 1 1 A 31 31 HIS H H 31 7.602 8.376 -0.774 1
1 280 . 15 1 1 A 31 31 HIS HA H 31 4.116 4.275 -0.159 1
1 285 . 15 1 1 A 31 31 HIS C C 31 176.263 177.414 -1.151 1
1 286 . 15 1 1 A 31 31 HIS CA C 31 59.038 59.326 -0.288 1
1 287 . 15 1 1 A 31 31 HIS CB C 31 28.559 29.799 -1.240 1
1 290 . 15 1 1 A 31 31 HIS N N 31 119.104 119.911 -0.807 1
1 291 . 15 1 1 A 32 32 GLN H H 32 8.297 8.185 0.112 1
1 292 . 15 1 1 A 32 32 GLN HA H 32 3.646 3.947 -0.301 1
1 299 . 15 1 1 A 32 32 GLN C C 32 177.393 178.842 -1.449 1
1 300 . 15 1 1 A 32 32 GLN CA C 32 59.179 58.458 0.721 1
1 301 . 15 1 1 A 32 32 GLN CB C 32 28.076 28.150 -0.074 1
1 303 . 15 1 1 A 32 32 GLN N N 32 115.048 118.389 -3.341 1
1 305 . 15 1 1 A 33 33 ARG H H 33 7.093 7.982 -0.889 1
1 306 . 15 1 1 A 33 33 ARG HA H 33 4.062 4.065 -0.003 1
1 313 . 15 1 1 A 33 33 ARG C C 33 178.632 179.106 -0.474 1
1 314 . 15 1 1 A 33 33 ARG CA C 33 58.740 59.040 -0.300 1
1 315 . 15 1 1 A 33 33 ARG CB C 33 30.018 29.820 0.198 1
1 318 . 15 1 1 A 33 33 ARG N N 33 117.429 119.516 -2.087 1
1 319 . 15 1 1 A 34 34 ILE H H 34 7.742 7.614 0.128 1
1 320 . 15 1 1 A 34 34 ILE HA H 34 3.907 3.819 0.088 1
1 330 . 15 1 1 A 34 34 ILE C C 34 177.477 176.568 0.909 1
1 331 . 15 1 1 A 34 34 ILE CA C 34 62.981 63.095 -0.114 1
1 332 . 15 1 1 A 34 34 ILE CB C 34 37.561 37.422 0.139 1
1 336 . 15 1 1 A 34 34 ILE N N 34 116.287 117.206 -0.919 1
1 337 . 15 1 1 A 35 35 HIS H H 35 7.154 7.665 -0.511 1
1 338 . 15 1 1 A 35 35 HIS HA H 35 4.820 4.589 0.231 1
1 343 . 15 1 1 A 35 35 HIS C C 35 175.945 175.330 0.615 1
1 344 . 15 1 1 A 35 35 HIS CA C 35 55.340 55.483 -0.143 1
1 345 . 15 1 1 A 35 35 HIS CB C 35 28.562 29.047 -0.485 1
1 348 . 15 1 1 A 35 35 HIS N N 35 117.832 119.441 -1.609 1
1 349 . 15 1 1 A 36 36 THR H H 36 7.768 7.722 0.046 1
1 350 . 15 1 1 A 36 36 THR HA H 36 4.280 4.420 -0.140 1
1 355 . 15 1 1 A 36 36 THR C C 36 175.527 174.382 1.145 1
1 356 . 15 1 1 A 36 36 THR CA C 36 62.599 60.718 1.881 1
1 357 . 15 1 1 A 36 36 THR CB C 36 69.779 68.379 1.400 1
1 359 . 15 1 1 A 36 36 THR N N 36 111.677 110.167 1.510 1
1 360 . 15 1 1 A 37 37 GLY H H 37 8.154 8.392 -0.238 1
1 361 . 15 1 1 A 37 37 GLY HA2 H 37 3.961 3.996 -0.035 1
1 362 . 15 1 1 A 37 37 GLY HA3 H 37 3.903 4.005 -0.102 1
1 363 . 15 1 1 A 37 37 GLY C C 37 174.033 175.174 -1.141 1
1 364 . 15 1 1 A 37 37 GLY CA C 37 45.278 46.357 -1.079 1
1 365 . 15 1 1 A 37 37 GLY N N 37 110.498 111.302 -0.804 1
1 366 . 15 1 1 A 38 38 GLU H H 38 8.043 7.974 0.069 1
1 367 . 15 1 1 A 38 38 GLU HA H 38 4.178 4.345 -0.167 1
1 372 . 15 1 1 A 38 38 GLU C C 38 176.163 175.381 0.782 1
1 373 . 15 1 1 A 38 38 GLU CA C 38 56.461 56.276 0.185 1
1 374 . 15 1 1 A 38 38 GLU CB C 38 30.437 29.299 1.138 1
1 376 . 15 1 1 A 38 38 GLU N N 38 120.528 120.521 0.007 1
1 377 . 15 1 1 A 39 39 LYS H H 39 8.342 8.387 -0.045 1
1 378 . 15 1 1 A 39 39 LYS HA H 39 4.549 4.747 -0.198 1
1 387 . 15 1 1 A 39 39 LYS C C 39 174.171 174.132 0.039 1
1 388 . 15 1 1 A 39 39 LYS CA C 39 54.043 53.414 0.629 1
1 389 . 15 1 1 A 39 39 LYS CB C 39 32.451 32.664 -0.213 1
1 393 . 15 1 1 A 39 39 LYS N N 39 123.761 125.269 -1.508 1
1 394 . 15 1 1 A 40 40 PRO HA H 40 4.405 4.546 -0.141 1
1 401 . 15 1 1 A 40 40 PRO CA C 40 63.060 62.346 0.714 1
1 402 . 15 1 1 A 40 40 PRO CB C 40 32.128 33.373 -1.245 1
1 405 . 15 1 1 A 41 41 SER H H 41 8.479 8.720 -0.241 1
1 406 . 15 1 1 A 41 41 SER HA H 41 4.398 4.205 0.193 1
1 409 . 15 1 1 A 41 41 SER CA C 41 58.288 60.702 -2.414 1
1 410 . 15 1 1 A 41 41 SER CB C 41 63.893 63.341 0.552 1
1 411 . 15 1 1 A 41 41 SER N N 41 116.629 116.153 0.476 1
1 412 . 15 1 1 A 42 42 GLY HA2 H 42 4.040 4.303 -0.263 1
1 413 . 15 1 1 A 42 42 GLY HA3 H 42 4.105 4.303 -0.198 1
1 414 . 15 1 1 A 42 42 GLY CA C 42 44.637 45.495 -0.858 1
1 415 . 15 1 1 A 43 43 PRO HA H 43 4.407 4.514 -0.107 1
1 422 . 15 1 1 A 43 43 PRO CA C 43 63.220 63.518 -0.298 1
1 423 . 15 1 1 A 43 43 PRO CB C 43 32.207 31.921 0.286 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.966 4.176 -0.210 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.966 4.177 -0.211 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.489 175.373 -0.884 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.460 45.608 -0.148 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.117 8.191 -0.074 1
1 6 . 16 1 1 A 8 8 THR HA H 8 4.307 4.096 0.211 1
1 11 . 16 1 1 A 8 8 THR C C 8 175.219 175.416 -0.197 1
1 12 . 16 1 1 A 8 8 THR CA C 8 61.781 65.436 -3.655 1
1 13 . 16 1 1 A 8 8 THR CB C 8 69.794 69.194 0.600 1
1 15 . 16 1 1 A 8 8 THR N N 8 112.800 111.393 1.407 1
1 16 . 16 1 1 A 9 9 GLY H H 9 8.403 7.288 1.115 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 3.961 4.041 -0.080 1
1 18 . 16 1 1 A 9 9 GLY HA3 H 9 3.906 4.043 -0.137 1
1 19 . 16 1 1 A 9 9 GLY C C 9 173.986 172.809 1.177 1
1 20 . 16 1 1 A 9 9 GLY CA C 9 45.291 45.760 -0.469 1
1 21 . 16 1 1 A 9 9 GLY N N 9 110.970 105.267 5.703 1
1 22 . 16 1 1 A 10 10 GLU H H 10 8.167 8.598 -0.431 1
1 23 . 16 1 1 A 10 10 GLU HA H 10 4.119 4.286 -0.167 1
1 28 . 16 1 1 A 10 10 GLU C C 10 176.245 176.470 -0.225 1
1 29 . 16 1 1 A 10 10 GLU CA C 10 56.761 56.609 0.152 1
1 30 . 16 1 1 A 10 10 GLU CB C 10 30.315 30.003 0.312 1
1 32 . 16 1 1 A 10 10 GLU N N 10 120.318 123.861 -3.543 1
1 33 . 16 1 1 A 11 11 LYS H H 11 8.212 8.249 -0.037 1
1 34 . 16 1 1 A 11 11 LYS HA H 11 4.481 4.798 -0.317 1
1 43 . 16 1 1 A 11 11 LYS C C 11 174.425 175.746 -1.321 1
1 44 . 16 1 1 A 11 11 LYS CA C 11 53.842 52.754 1.088 1
1 45 . 16 1 1 A 11 11 LYS CB C 11 33.027 34.346 -1.319 1
1 49 . 16 1 1 A 11 11 LYS N N 11 121.767 123.543 -1.776 1
1 50 . 16 1 1 A 12 12 PRO HA H 12 4.244 4.345 -0.101 1
1 57 . 16 1 1 A 12 12 PRO C C 12 176.079 175.615 0.464 1
1 58 . 16 1 1 A 12 12 PRO CA C 12 63.283 63.950 -0.667 1
1 59 . 16 1 1 A 12 12 PRO CB C 12 32.187 31.569 0.618 1
1 62 . 16 1 1 A 13 13 TYR H H 13 7.905 7.185 0.720 1
1 63 . 16 1 1 A 13 13 TYR HA H 13 4.586 5.376 -0.790 1
1 70 . 16 1 1 A 13 13 TYR C C 13 174.631 174.550 0.081 1
1 71 . 16 1 1 A 13 13 TYR CA C 13 57.403 56.259 1.144 1
1 72 . 16 1 1 A 13 13 TYR CB C 13 38.592 43.362 -4.770 1
1 77 . 16 1 1 A 13 13 TYR N N 13 118.258 118.769 -0.511 1
1 78 . 16 1 1 A 14 14 ASN H H 14 8.597 9.066 -0.469 1
1 79 . 16 1 1 A 14 14 ASN HA H 14 5.267 5.561 -0.294 1
1 84 . 16 1 1 A 14 14 ASN C C 14 173.616 173.244 0.372 1
1 85 . 16 1 1 A 14 14 ASN CA C 14 52.533 52.664 -0.131 1
1 86 . 16 1 1 A 14 14 ASN CB C 14 41.443 42.663 -1.220 1
1 87 . 16 1 1 A 14 14 ASN N N 14 120.998 117.761 3.237 1
1 89 . 16 1 1 A 15 15 CYS H H 15 9.170 9.148 0.022 1
1 90 . 16 1 1 A 15 15 CYS HA H 15 4.549 4.773 -0.224 1
1 93 . 16 1 1 A 15 15 CYS C C 15 177.267 176.091 1.176 1
1 94 . 16 1 1 A 15 15 CYS CA C 15 59.191 58.011 1.180 1
1 95 . 16 1 1 A 15 15 CYS CB C 15 29.553 29.149 0.404 1
1 96 . 16 1 1 A 15 15 CYS N N 15 124.399 121.708 2.691 1
1 97 . 16 1 1 A 16 16 GLU H H 16 9.526 9.067 0.459 1
1 98 . 16 1 1 A 16 16 GLU HA H 16 4.060 4.596 -0.536 1
1 103 . 16 1 1 A 16 16 GLU C C 16 176.879 177.557 -0.678 1
1 104 . 16 1 1 A 16 16 GLU CA C 16 58.728 56.422 2.306 1
1 105 . 16 1 1 A 16 16 GLU CB C 16 29.577 29.730 -0.153 1
1 107 . 16 1 1 A 16 16 GLU N N 16 132.063 127.529 4.534 1
1 108 . 16 1 1 A 17 17 GLU H H 17 8.498 7.884 0.614 1
1 109 . 16 1 1 A 17 17 GLU HA H 17 4.116 4.352 -0.236 1
1 114 . 16 1 1 A 17 17 GLU C C 17 177.307 177.960 -0.653 1
1 115 . 16 1 1 A 17 17 GLU CA C 17 58.495 57.272 1.223 1
1 116 . 16 1 1 A 17 17 GLU CB C 17 29.466 30.455 -0.989 1
1 118 . 16 1 1 A 17 17 GLU N N 17 120.260 120.235 0.025 1
1 119 . 16 1 1 A 18 18 CYS H H 18 7.936 8.063 -0.127 1
1 120 . 16 1 1 A 18 18 CYS HA H 18 5.107 4.731 0.376 1
1 123 . 16 1 1 A 18 18 CYS C C 18 176.297 175.471 0.826 1
1 124 . 16 1 1 A 18 18 CYS CA C 18 58.394 59.670 -1.276 1
1 125 . 16 1 1 A 18 18 CYS CB C 18 32.435 30.055 2.380 1
1 126 . 16 1 1 A 18 18 CYS N N 18 114.580 114.956 -0.376 1
1 127 . 16 1 1 A 19 19 GLY H H 19 8.233 8.150 0.083 1
1 128 . 16 1 1 A 19 19 GLY HA2 H 19 3.818 4.079 -0.261 1
1 129 . 16 1 1 A 19 19 GLY HA3 H 19 4.158 4.089 0.069 1
1 130 . 16 1 1 A 19 19 GLY C C 19 174.201 174.289 -0.088 1
1 131 . 16 1 1 A 19 19 GLY CA C 19 46.129 45.291 0.838 1
1 132 . 16 1 1 A 19 19 GLY N N 19 113.640 109.975 3.665 1
1 133 . 16 1 1 A 20 20 LYS H H 20 7.816 7.777 0.039 1
1 134 . 16 1 1 A 20 20 LYS HA H 20 3.889 4.545 -0.656 1
1 143 . 16 1 1 A 20 20 LYS C C 20 173.338 175.602 -2.264 1
1 144 . 16 1 1 A 20 20 LYS CA C 20 58.071 54.769 3.302 1
1 145 . 16 1 1 A 20 20 LYS CB C 20 33.760 34.578 -0.818 1
1 149 . 16 1 1 A 20 20 LYS N N 20 123.055 121.068 1.987 1
1 150 . 16 1 1 A 21 21 ALA H H 21 7.624 8.594 -0.970 1
1 151 . 16 1 1 A 21 21 ALA HA H 21 5.029 5.127 -0.098 1
1 155 . 16 1 1 A 21 21 ALA C C 21 176.478 176.865 -0.387 1
1 156 . 16 1 1 A 21 21 ALA CA C 21 50.590 51.750 -1.160 1
1 157 . 16 1 1 A 21 21 ALA CB C 21 22.409 20.291 2.118 1
1 158 . 16 1 1 A 21 21 ALA N N 21 123.757 129.395 -5.638 1
1 159 . 16 1 1 A 22 22 PHE H H 22 8.570 9.169 -0.599 1
1 160 . 16 1 1 A 22 22 PHE HA H 22 4.696 4.935 -0.239 1
1 168 . 16 1 1 A 22 22 PHE C C 22 175.081 175.732 -0.651 1
1 169 . 16 1 1 A 22 22 PHE CA C 22 57.093 56.642 0.451 1
1 170 . 16 1 1 A 22 22 PHE CB C 22 43.428 42.994 0.434 1
1 176 . 16 1 1 A 22 22 PHE N N 22 116.997 117.771 -0.774 1
1 177 . 16 1 1 A 23 23 ILE H H 23 8.544 8.602 -0.058 1
1 178 . 16 1 1 A 23 23 ILE HA H 23 4.150 4.148 0.002 1
1 188 . 16 1 1 A 23 23 ILE C C 23 175.250 176.382 -1.132 1
1 189 . 16 1 1 A 23 23 ILE CA C 23 63.146 63.409 -0.263 1
1 190 . 16 1 1 A 23 23 ILE CB C 23 38.976 38.897 0.079 1
1 194 . 16 1 1 A 23 23 ILE N N 23 118.524 122.638 -4.114 1
1 195 . 16 1 1 A 24 24 HIS H H 24 7.481 8.272 -0.791 1
1 196 . 16 1 1 A 24 24 HIS HA H 24 4.930 5.043 -0.113 1
1 201 . 16 1 1 A 24 24 HIS C C 24 175.914 174.901 1.013 1
1 202 . 16 1 1 A 24 24 HIS CA C 24 54.508 55.293 -0.785 1
1 203 . 16 1 1 A 24 24 HIS CB C 24 34.064 32.552 1.512 1
1 206 . 16 1 1 A 24 24 HIS N N 24 115.184 117.578 -2.394 1
1 207 . 16 1 1 A 25 25 ASP H H 25 8.313 8.665 -0.352 1
1 208 . 16 1 1 A 25 25 ASP HA H 25 3.499 3.149 0.350 1
1 210 . 16 1 1 A 25 25 ASP C C 25 178.409 177.636 0.773 1
1 211 . 16 1 1 A 25 25 ASP CA C 25 56.851 56.763 0.088 1
1 212 . 16 1 1 A 25 25 ASP CB C 25 40.476 40.387 0.089 1
1 213 . 16 1 1 A 25 25 ASP N N 25 126.437 121.888 4.549 1
1 214 . 16 1 1 A 26 26 SER H H 26 8.942 8.202 0.740 1
1 215 . 16 1 1 A 26 26 SER HA H 26 3.891 4.124 -0.233 1
1 218 . 16 1 1 A 26 26 SER C C 26 177.293 177.238 0.055 1
1 219 . 16 1 1 A 26 26 SER CA C 26 61.240 61.024 0.216 1
1 220 . 16 1 1 A 26 26 SER CB C 26 61.426 62.753 -1.327 1
1 221 . 16 1 1 A 26 26 SER N N 26 114.987 115.723 -0.736 1
1 222 . 16 1 1 A 27 27 GLN H H 27 6.908 7.457 -0.549 1
1 223 . 16 1 1 A 27 27 GLN HA H 27 3.996 4.233 -0.237 1
1 230 . 16 1 1 A 27 27 GLN C C 27 178.844 178.032 0.812 1
1 231 . 16 1 1 A 27 27 GLN CA C 27 57.699 58.362 -0.663 1
1 232 . 16 1 1 A 27 27 GLN CB C 27 28.809 29.073 -0.264 1
1 234 . 16 1 1 A 27 27 GLN N N 27 120.797 122.010 -1.213 1
1 236 . 16 1 1 A 28 28 LEU H H 28 6.989 7.547 -0.558 1
1 237 . 16 1 1 A 28 28 LEU HA H 28 3.192 1.828 1.364 1
1 247 . 16 1 1 A 28 28 LEU C C 28 177.795 178.368 -0.573 1
1 248 . 16 1 1 A 28 28 LEU CA C 28 57.807 57.027 0.780 1
1 249 . 16 1 1 A 28 28 LEU CB C 28 40.185 40.891 -0.706 1
1 253 . 16 1 1 A 28 28 LEU N N 28 122.387 121.384 1.003 1
1 254 . 16 1 1 A 29 29 GLN H H 29 8.345 8.165 0.180 1
1 255 . 16 1 1 A 29 29 GLN HA H 29 3.923 3.798 0.125 1
1 262 . 16 1 1 A 29 29 GLN C C 29 179.092 178.417 0.675 1
1 263 . 16 1 1 A 29 29 GLN CA C 29 58.757 59.213 -0.456 1
1 264 . 16 1 1 A 29 29 GLN CB C 29 27.751 28.000 -0.249 1
1 266 . 16 1 1 A 29 29 GLN N N 29 117.492 117.401 0.091 1
1 268 . 16 1 1 A 30 30 GLU H H 30 7.420 8.132 -0.712 1
1 269 . 16 1 1 A 30 30 GLU HA H 30 3.885 4.033 -0.148 1
1 274 . 16 1 1 A 30 30 GLU C C 30 178.747 178.780 -0.033 1
1 275 . 16 1 1 A 30 30 GLU CA C 30 58.958 58.882 0.076 1
1 276 . 16 1 1 A 30 30 GLU CB C 30 29.563 29.670 -0.107 1
1 278 . 16 1 1 A 30 30 GLU N N 30 118.075 119.634 -1.559 1
1 279 . 16 1 1 A 31 31 HIS H H 31 7.602 8.260 -0.658 1
1 280 . 16 1 1 A 31 31 HIS HA H 31 4.116 4.255 -0.139 1
1 285 . 16 1 1 A 31 31 HIS C C 31 176.263 177.060 -0.797 1
1 286 . 16 1 1 A 31 31 HIS CA C 31 59.038 58.791 0.247 1
1 287 . 16 1 1 A 31 31 HIS CB C 31 28.559 30.177 -1.618 1
1 290 . 16 1 1 A 31 31 HIS N N 31 119.104 119.898 -0.794 1
1 291 . 16 1 1 A 32 32 GLN H H 32 8.297 8.472 -0.175 1
1 292 . 16 1 1 A 32 32 GLN HA H 32 3.646 3.913 -0.267 1
1 299 . 16 1 1 A 32 32 GLN C C 32 177.393 178.701 -1.308 1
1 300 . 16 1 1 A 32 32 GLN CA C 32 59.179 59.275 -0.096 1
1 301 . 16 1 1 A 32 32 GLN CB C 32 28.076 28.317 -0.241 1
1 303 . 16 1 1 A 32 32 GLN N N 32 115.048 117.418 -2.370 1
1 305 . 16 1 1 A 33 33 ARG H H 33 7.093 7.768 -0.675 1
1 306 . 16 1 1 A 33 33 ARG HA H 33 4.062 3.953 0.109 1
1 313 . 16 1 1 A 33 33 ARG C C 33 178.632 178.985 -0.353 1
1 314 . 16 1 1 A 33 33 ARG CA C 33 58.740 58.922 -0.182 1
1 315 . 16 1 1 A 33 33 ARG CB C 33 30.018 29.884 0.134 1
1 318 . 16 1 1 A 33 33 ARG N N 33 117.429 120.010 -2.581 1
1 319 . 16 1 1 A 34 34 ILE H H 34 7.742 7.907 -0.165 1
1 320 . 16 1 1 A 34 34 ILE HA H 34 3.907 3.743 0.164 1
1 330 . 16 1 1 A 34 34 ILE C C 34 177.477 176.489 0.988 1
1 331 . 16 1 1 A 34 34 ILE CA C 34 62.981 63.403 -0.422 1
1 332 . 16 1 1 A 34 34 ILE CB C 34 37.561 37.228 0.333 1
1 336 . 16 1 1 A 34 34 ILE N N 34 116.287 117.275 -0.988 1
1 337 . 16 1 1 A 35 35 HIS H H 35 7.154 7.993 -0.839 1
1 338 . 16 1 1 A 35 35 HIS HA H 35 4.820 4.508 0.312 1
1 343 . 16 1 1 A 35 35 HIS C C 35 175.945 175.767 0.178 1
1 344 . 16 1 1 A 35 35 HIS CA C 35 55.340 56.143 -0.803 1
1 345 . 16 1 1 A 35 35 HIS CB C 35 28.562 29.889 -1.327 1
1 348 . 16 1 1 A 35 35 HIS N N 35 117.832 119.235 -1.403 1
1 349 . 16 1 1 A 36 36 THR H H 36 7.768 8.131 -0.363 1
1 350 . 16 1 1 A 36 36 THR HA H 36 4.280 4.619 -0.339 1
1 355 . 16 1 1 A 36 36 THR C C 36 175.527 175.240 0.287 1
1 356 . 16 1 1 A 36 36 THR CA C 36 62.599 60.489 2.110 1
1 357 . 16 1 1 A 36 36 THR CB C 36 69.779 68.695 1.084 1
1 359 . 16 1 1 A 36 36 THR N N 36 111.677 109.493 2.184 1
1 360 . 16 1 1 A 37 37 GLY H H 37 8.154 7.853 0.301 1
1 361 . 16 1 1 A 37 37 GLY HA2 H 37 3.961 4.016 -0.055 1
1 362 . 16 1 1 A 37 37 GLY HA3 H 37 3.903 4.026 -0.123 1
1 363 . 16 1 1 A 37 37 GLY C C 37 174.033 174.319 -0.286 1
1 364 . 16 1 1 A 37 37 GLY CA C 37 45.278 45.884 -0.606 1
1 365 . 16 1 1 A 37 37 GLY N N 37 110.498 110.839 -0.341 1
1 366 . 16 1 1 A 38 38 GLU H H 38 8.043 7.910 0.133 1
1 367 . 16 1 1 A 38 38 GLU HA H 38 4.178 4.245 -0.067 1
1 372 . 16 1 1 A 38 38 GLU C C 38 176.163 175.951 0.212 1
1 373 . 16 1 1 A 38 38 GLU CA C 38 56.461 57.014 -0.553 1
1 374 . 16 1 1 A 38 38 GLU CB C 38 30.437 30.283 0.154 1
1 376 . 16 1 1 A 38 38 GLU N N 38 120.528 121.145 -0.617 1
1 377 . 16 1 1 A 39 39 LYS H H 39 8.342 8.292 0.050 1
1 378 . 16 1 1 A 39 39 LYS HA H 39 4.549 4.895 -0.346 1
1 387 . 16 1 1 A 39 39 LYS C C 39 174.171 176.188 -2.017 1
1 388 . 16 1 1 A 39 39 LYS CA C 39 54.043 53.954 0.089 1
1 389 . 16 1 1 A 39 39 LYS CB C 39 32.451 33.761 -1.310 1
1 393 . 16 1 1 A 39 39 LYS N N 39 123.761 124.954 -1.193 1
1 394 . 16 1 1 A 40 40 PRO HA H 40 4.405 4.300 0.105 1
1 401 . 16 1 1 A 40 40 PRO CA C 40 63.060 65.130 -2.070 1
1 402 . 16 1 1 A 40 40 PRO CB C 40 32.128 31.993 0.135 1
1 405 . 16 1 1 A 41 41 SER H H 41 8.479 8.194 0.285 1
1 406 . 16 1 1 A 41 41 SER HA H 41 4.398 4.617 -0.219 1
1 409 . 16 1 1 A 41 41 SER CA C 41 58.288 59.430 -1.142 1
1 410 . 16 1 1 A 41 41 SER CB C 41 63.893 65.591 -1.698 1
1 411 . 16 1 1 A 41 41 SER N N 41 116.629 111.519 5.110 1
1 412 . 16 1 1 A 42 42 GLY HA2 H 42 4.040 4.169 -0.129 1
1 413 . 16 1 1 A 42 42 GLY HA3 H 42 4.105 4.169 -0.064 1
1 414 . 16 1 1 A 42 42 GLY CA C 42 44.637 45.717 -1.080 1
1 415 . 16 1 1 A 43 43 PRO HA H 43 4.407 4.642 -0.235 1
1 422 . 16 1 1 A 43 43 PRO CA C 43 63.220 62.756 0.464 1
1 423 . 16 1 1 A 43 43 PRO CB C 43 32.207 31.800 0.407 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.966 3.935 0.031 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.966 3.946 0.020 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.489 175.458 -0.969 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.460 46.395 -0.935 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.117 7.836 0.281 1
1 6 . 17 1 1 A 8 8 THR HA H 8 4.307 3.860 0.447 1
1 11 . 17 1 1 A 8 8 THR C C 8 175.219 175.980 -0.761 1
1 12 . 17 1 1 A 8 8 THR CA C 8 61.781 66.433 -4.652 1
1 13 . 17 1 1 A 8 8 THR CB C 8 69.794 68.552 1.242 1
1 15 . 17 1 1 A 8 8 THR N N 8 112.800 115.458 -2.658 1
1 16 . 17 1 1 A 9 9 GLY H H 9 8.403 7.340 1.063 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 3.961 4.114 -0.153 1
1 18 . 17 1 1 A 9 9 GLY HA3 H 9 3.906 4.116 -0.210 1
1 19 . 17 1 1 A 9 9 GLY C C 9 173.986 174.759 -0.773 1
1 20 . 17 1 1 A 9 9 GLY CA C 9 45.291 45.578 -0.287 1
1 21 . 17 1 1 A 9 9 GLY N N 9 110.970 105.599 5.371 1
1 22 . 17 1 1 A 10 10 GLU H H 10 8.167 8.034 0.133 1
1 23 . 17 1 1 A 10 10 GLU HA H 10 4.119 4.470 -0.351 1
1 28 . 17 1 1 A 10 10 GLU C C 10 176.245 175.062 1.183 1
1 29 . 17 1 1 A 10 10 GLU CA C 10 56.761 55.897 0.864 1
1 30 . 17 1 1 A 10 10 GLU CB C 10 30.315 29.920 0.395 1
1 32 . 17 1 1 A 10 10 GLU N N 10 120.318 117.859 2.459 1
1 33 . 17 1 1 A 11 11 LYS H H 11 8.212 7.337 0.875 1
1 34 . 17 1 1 A 11 11 LYS HA H 11 4.481 4.574 -0.093 1
1 43 . 17 1 1 A 11 11 LYS C C 11 174.425 175.792 -1.367 1
1 44 . 17 1 1 A 11 11 LYS CA C 11 53.842 52.765 1.077 1
1 45 . 17 1 1 A 11 11 LYS CB C 11 33.027 32.645 0.382 1
1 49 . 17 1 1 A 11 11 LYS N N 11 121.767 120.348 1.419 1
1 50 . 17 1 1 A 12 12 PRO HA H 12 4.244 4.362 -0.118 1
1 57 . 17 1 1 A 12 12 PRO C C 12 176.079 175.600 0.479 1
1 58 . 17 1 1 A 12 12 PRO CA C 12 63.283 63.897 -0.614 1
1 59 . 17 1 1 A 12 12 PRO CB C 12 32.187 31.326 0.861 1
1 62 . 17 1 1 A 13 13 TYR H H 13 7.905 7.189 0.716 1
1 63 . 17 1 1 A 13 13 TYR HA H 13 4.586 5.347 -0.761 1
1 70 . 17 1 1 A 13 13 TYR C C 13 174.631 174.491 0.140 1
1 71 . 17 1 1 A 13 13 TYR CA C 13 57.403 56.329 1.074 1
1 72 . 17 1 1 A 13 13 TYR CB C 13 38.592 43.127 -4.535 1
1 77 . 17 1 1 A 13 13 TYR N N 13 118.258 118.967 -0.709 1
1 78 . 17 1 1 A 14 14 ASN H H 14 8.597 9.127 -0.530 1
1 79 . 17 1 1 A 14 14 ASN HA H 14 5.267 5.790 -0.523 1
1 84 . 17 1 1 A 14 14 ASN C C 14 173.616 173.505 0.111 1
1 85 . 17 1 1 A 14 14 ASN CA C 14 52.533 52.427 0.106 1
1 86 . 17 1 1 A 14 14 ASN CB C 14 41.443 43.421 -1.978 1
1 87 . 17 1 1 A 14 14 ASN N N 14 120.998 117.677 3.321 1
1 89 . 17 1 1 A 15 15 CYS H H 15 9.170 8.790 0.380 1
1 90 . 17 1 1 A 15 15 CYS HA H 15 4.549 4.816 -0.267 1
1 93 . 17 1 1 A 15 15 CYS C C 15 177.267 175.583 1.684 1
1 94 . 17 1 1 A 15 15 CYS CA C 15 59.191 57.533 1.658 1
1 95 . 17 1 1 A 15 15 CYS CB C 15 29.553 28.101 1.452 1
1 96 . 17 1 1 A 15 15 CYS N N 15 124.399 120.804 3.595 1
1 97 . 17 1 1 A 16 16 GLU H H 16 9.526 8.899 0.627 1
1 98 . 17 1 1 A 16 16 GLU HA H 16 4.060 4.093 -0.033 1
1 103 . 17 1 1 A 16 16 GLU C C 16 176.879 178.513 -1.634 1
1 104 . 17 1 1 A 16 16 GLU CA C 16 58.728 58.692 0.036 1
1 105 . 17 1 1 A 16 16 GLU CB C 16 29.577 28.918 0.659 1
1 107 . 17 1 1 A 16 16 GLU N N 16 132.063 127.017 5.046 1
1 108 . 17 1 1 A 17 17 GLU H H 17 8.498 7.901 0.597 1
1 109 . 17 1 1 A 17 17 GLU HA H 17 4.116 3.962 0.154 1
1 114 . 17 1 1 A 17 17 GLU C C 17 177.307 177.919 -0.612 1
1 115 . 17 1 1 A 17 17 GLU CA C 17 58.495 58.866 -0.371 1
1 116 . 17 1 1 A 17 17 GLU CB C 17 29.466 29.453 0.013 1
1 118 . 17 1 1 A 17 17 GLU N N 17 120.260 118.790 1.470 1
1 119 . 17 1 1 A 18 18 CYS H H 18 7.936 7.664 0.272 1
1 120 . 17 1 1 A 18 18 CYS HA H 18 5.107 4.724 0.383 1
1 123 . 17 1 1 A 18 18 CYS C C 18 176.297 175.443 0.854 1
1 124 . 17 1 1 A 18 18 CYS CA C 18 58.394 59.880 -1.486 1
1 125 . 17 1 1 A 18 18 CYS CB C 18 32.435 29.909 2.526 1
1 126 . 17 1 1 A 18 18 CYS N N 18 114.580 115.048 -0.468 1
1 127 . 17 1 1 A 19 19 GLY H H 19 8.233 8.103 0.130 1
1 128 . 17 1 1 A 19 19 GLY HA2 H 19 3.818 4.085 -0.267 1
1 129 . 17 1 1 A 19 19 GLY HA3 H 19 4.158 4.093 0.065 1
1 130 . 17 1 1 A 19 19 GLY C C 19 174.201 174.332 -0.131 1
1 131 . 17 1 1 A 19 19 GLY CA C 19 46.129 45.240 0.889 1
1 132 . 17 1 1 A 19 19 GLY N N 19 113.640 109.953 3.687 1
1 133 . 17 1 1 A 20 20 LYS H H 20 7.816 7.798 0.018 1
1 134 . 17 1 1 A 20 20 LYS HA H 20 3.889 4.562 -0.673 1
1 143 . 17 1 1 A 20 20 LYS C C 20 173.338 175.645 -2.307 1
1 144 . 17 1 1 A 20 20 LYS CA C 20 58.071 54.751 3.320 1
1 145 . 17 1 1 A 20 20 LYS CB C 20 33.760 34.609 -0.849 1
1 149 . 17 1 1 A 20 20 LYS N N 20 123.055 121.109 1.946 1
1 150 . 17 1 1 A 21 21 ALA H H 21 7.624 8.560 -0.936 1
1 151 . 17 1 1 A 21 21 ALA HA H 21 5.029 5.094 -0.065 1
1 155 . 17 1 1 A 21 21 ALA C C 21 176.478 176.631 -0.153 1
1 156 . 17 1 1 A 21 21 ALA CA C 21 50.590 51.727 -1.137 1
1 157 . 17 1 1 A 21 21 ALA CB C 21 22.409 20.268 2.141 1
1 158 . 17 1 1 A 21 21 ALA N N 21 123.757 129.278 -5.521 1
1 159 . 17 1 1 A 22 22 PHE H H 22 8.570 9.175 -0.605 1
1 160 . 17 1 1 A 22 22 PHE HA H 22 4.696 4.912 -0.216 1
1 168 . 17 1 1 A 22 22 PHE C C 22 175.081 175.786 -0.705 1
1 169 . 17 1 1 A 22 22 PHE CA C 22 57.093 56.746 0.347 1
1 170 . 17 1 1 A 22 22 PHE CB C 22 43.428 43.803 -0.375 1
1 176 . 17 1 1 A 22 22 PHE N N 22 116.997 118.089 -1.092 1
1 177 . 17 1 1 A 23 23 ILE H H 23 8.544 8.574 -0.030 1
1 178 . 17 1 1 A 23 23 ILE HA H 23 4.150 4.113 0.037 1
1 188 . 17 1 1 A 23 23 ILE C C 23 175.250 176.307 -1.057 1
1 189 . 17 1 1 A 23 23 ILE CA C 23 63.146 64.042 -0.896 1
1 190 . 17 1 1 A 23 23 ILE CB C 23 38.976 38.842 0.134 1
1 194 . 17 1 1 A 23 23 ILE N N 23 118.524 121.570 -3.046 1
1 195 . 17 1 1 A 24 24 HIS H H 24 7.481 8.249 -0.768 1
1 196 . 17 1 1 A 24 24 HIS HA H 24 4.930 5.030 -0.100 1
1 201 . 17 1 1 A 24 24 HIS C C 24 175.914 174.826 1.088 1
1 202 . 17 1 1 A 24 24 HIS CA C 24 54.508 55.136 -0.628 1
1 203 . 17 1 1 A 24 24 HIS CB C 24 34.064 32.348 1.716 1
1 206 . 17 1 1 A 24 24 HIS N N 24 115.184 117.025 -1.841 1
1 207 . 17 1 1 A 25 25 ASP H H 25 8.313 8.661 -0.348 1
1 208 . 17 1 1 A 25 25 ASP HA H 25 3.499 3.240 0.259 1
1 210 . 17 1 1 A 25 25 ASP C C 25 178.409 177.390 1.019 1
1 211 . 17 1 1 A 25 25 ASP CA C 25 56.851 56.791 0.060 1
1 212 . 17 1 1 A 25 25 ASP CB C 25 40.476 40.823 -0.347 1
1 213 . 17 1 1 A 25 25 ASP N N 25 126.437 121.673 4.764 1
1 214 . 17 1 1 A 26 26 SER H H 26 8.942 8.351 0.591 1
1 215 . 17 1 1 A 26 26 SER HA H 26 3.891 4.149 -0.258 1
1 218 . 17 1 1 A 26 26 SER C C 26 177.293 177.036 0.257 1
1 219 . 17 1 1 A 26 26 SER CA C 26 61.240 61.367 -0.127 1
1 220 . 17 1 1 A 26 26 SER CB C 26 61.426 62.690 -1.264 1
1 221 . 17 1 1 A 26 26 SER N N 26 114.987 114.783 0.204 1
1 222 . 17 1 1 A 27 27 GLN H H 27 6.908 7.777 -0.869 1
1 223 . 17 1 1 A 27 27 GLN HA H 27 3.996 3.967 0.029 1
1 230 . 17 1 1 A 27 27 GLN C C 27 178.844 178.127 0.717 1
1 231 . 17 1 1 A 27 27 GLN CA C 27 57.699 58.842 -1.143 1
1 232 . 17 1 1 A 27 27 GLN CB C 27 28.809 28.467 0.342 1
1 234 . 17 1 1 A 27 27 GLN N N 27 120.797 121.908 -1.111 1
1 236 . 17 1 1 A 28 28 LEU H H 28 6.989 7.213 -0.224 1
1 237 . 17 1 1 A 28 28 LEU HA H 28 3.192 2.292 0.900 1
1 247 . 17 1 1 A 28 28 LEU C C 28 177.795 178.494 -0.699 1
1 248 . 17 1 1 A 28 28 LEU CA C 28 57.807 57.118 0.689 1
1 249 . 17 1 1 A 28 28 LEU CB C 28 40.185 41.438 -1.253 1
1 253 . 17 1 1 A 28 28 LEU N N 28 122.387 121.063 1.324 1
1 254 . 17 1 1 A 29 29 GLN H H 29 8.345 8.432 -0.087 1
1 255 . 17 1 1 A 29 29 GLN HA H 29 3.923 3.840 0.083 1
1 262 . 17 1 1 A 29 29 GLN C C 29 179.092 178.465 0.627 1
1 263 . 17 1 1 A 29 29 GLN CA C 29 58.757 59.076 -0.319 1
1 264 . 17 1 1 A 29 29 GLN CB C 29 27.751 28.227 -0.476 1
1 266 . 17 1 1 A 29 29 GLN N N 29 117.492 117.770 -0.278 1
1 268 . 17 1 1 A 30 30 GLU H H 30 7.420 7.863 -0.443 1
1 269 . 17 1 1 A 30 30 GLU HA H 30 3.885 4.072 -0.187 1
1 274 . 17 1 1 A 30 30 GLU C C 30 178.747 178.606 0.141 1
1 275 . 17 1 1 A 30 30 GLU CA C 30 58.958 58.531 0.427 1
1 276 . 17 1 1 A 30 30 GLU CB C 30 29.563 29.506 0.057 1
1 278 . 17 1 1 A 30 30 GLU N N 30 118.075 119.030 -0.955 1
1 279 . 17 1 1 A 31 31 HIS H H 31 7.602 8.087 -0.485 1
1 280 . 17 1 1 A 31 31 HIS HA H 31 4.116 4.404 -0.288 1
1 285 . 17 1 1 A 31 31 HIS C C 31 176.263 177.069 -0.806 1
1 286 . 17 1 1 A 31 31 HIS CA C 31 59.038 58.541 0.497 1
1 287 . 17 1 1 A 31 31 HIS CB C 31 28.559 30.388 -1.829 1
1 290 . 17 1 1 A 31 31 HIS N N 31 119.104 119.804 -0.700 1
1 291 . 17 1 1 A 32 32 GLN H H 32 8.297 8.679 -0.382 1
1 292 . 17 1 1 A 32 32 GLN HA H 32 3.646 3.992 -0.346 1
1 299 . 17 1 1 A 32 32 GLN C C 32 177.393 178.493 -1.100 1
1 300 . 17 1 1 A 32 32 GLN CA C 32 59.179 59.054 0.125 1
1 301 . 17 1 1 A 32 32 GLN CB C 32 28.076 28.183 -0.107 1
1 303 . 17 1 1 A 32 32 GLN N N 32 115.048 118.214 -3.166 1
1 305 . 17 1 1 A 33 33 ARG H H 33 7.093 7.649 -0.556 1
1 306 . 17 1 1 A 33 33 ARG HA H 33 4.062 4.069 -0.007 1
1 313 . 17 1 1 A 33 33 ARG C C 33 178.632 177.826 0.806 1
1 314 . 17 1 1 A 33 33 ARG CA C 33 58.740 58.824 -0.084 1
1 315 . 17 1 1 A 33 33 ARG CB C 33 30.018 30.102 -0.084 1
1 318 . 17 1 1 A 33 33 ARG N N 33 117.429 117.988 -0.559 1
1 319 . 17 1 1 A 34 34 ILE H H 34 7.742 7.896 -0.154 1
1 320 . 17 1 1 A 34 34 ILE HA H 34 3.907 3.743 0.164 1
1 330 . 17 1 1 A 34 34 ILE C C 34 177.477 177.492 -0.015 1
1 331 . 17 1 1 A 34 34 ILE CA C 34 62.981 63.709 -0.728 1
1 332 . 17 1 1 A 34 34 ILE CB C 34 37.561 37.369 0.192 1
1 336 . 17 1 1 A 34 34 ILE N N 34 116.287 116.013 0.274 1
1 337 . 17 1 1 A 35 35 HIS H H 35 7.154 7.428 -0.274 1
1 338 . 17 1 1 A 35 35 HIS HA H 35 4.820 4.435 0.385 1
1 343 . 17 1 1 A 35 35 HIS C C 35 175.945 176.433 -0.488 1
1 344 . 17 1 1 A 35 35 HIS CA C 35 55.340 59.077 -3.737 1
1 345 . 17 1 1 A 35 35 HIS CB C 35 28.562 31.257 -2.695 1
1 348 . 17 1 1 A 35 35 HIS N N 35 117.832 119.614 -1.782 1
1 349 . 17 1 1 A 36 36 THR H H 36 7.768 7.211 0.557 1
1 350 . 17 1 1 A 36 36 THR HA H 36 4.280 4.300 -0.020 1
1 355 . 17 1 1 A 36 36 THR C C 36 175.527 173.309 2.218 1
1 356 . 17 1 1 A 36 36 THR CA C 36 62.599 61.085 1.514 1
1 357 . 17 1 1 A 36 36 THR CB C 36 69.779 67.704 2.075 1
1 359 . 17 1 1 A 36 36 THR N N 36 111.677 111.906 -0.229 1
1 360 . 17 1 1 A 37 37 GLY H H 37 8.154 8.314 -0.160 1
1 361 . 17 1 1 A 37 37 GLY HA2 H 37 3.961 4.106 -0.145 1
1 362 . 17 1 1 A 37 37 GLY HA3 H 37 3.903 4.114 -0.211 1
1 363 . 17 1 1 A 37 37 GLY C C 37 174.033 171.768 2.265 1
1 364 . 17 1 1 A 37 37 GLY CA C 37 45.278 45.600 -0.322 1
1 365 . 17 1 1 A 37 37 GLY N N 37 110.498 114.194 -3.696 1
1 366 . 17 1 1 A 38 38 GLU H H 38 8.043 8.806 -0.763 1
1 367 . 17 1 1 A 38 38 GLU HA H 38 4.178 5.063 -0.885 1
1 372 . 17 1 1 A 38 38 GLU C C 38 176.163 174.324 1.839 1
1 373 . 17 1 1 A 38 38 GLU CA C 38 56.461 55.508 0.953 1
1 374 . 17 1 1 A 38 38 GLU CB C 38 30.437 32.862 -2.425 1
1 376 . 17 1 1 A 38 38 GLU N N 38 120.528 123.388 -2.860 1
1 377 . 17 1 1 A 39 39 LYS H H 39 8.342 8.770 -0.428 1
1 378 . 17 1 1 A 39 39 LYS HA H 39 4.549 4.873 -0.324 1
1 387 . 17 1 1 A 39 39 LYS C C 39 174.171 173.931 0.240 1
1 388 . 17 1 1 A 39 39 LYS CA C 39 54.043 54.659 -0.616 1
1 389 . 17 1 1 A 39 39 LYS CB C 39 32.451 36.205 -3.754 1
1 393 . 17 1 1 A 39 39 LYS N N 39 123.761 123.984 -0.223 1
1 394 . 17 1 1 A 40 40 PRO HA H 40 4.405 4.656 -0.251 1
1 401 . 17 1 1 A 40 40 PRO CA C 40 63.060 62.409 0.651 1
1 402 . 17 1 1 A 40 40 PRO CB C 40 32.128 33.255 -1.127 1
1 405 . 17 1 1 A 41 41 SER H H 41 8.479 8.433 0.046 1
1 406 . 17 1 1 A 41 41 SER HA H 41 4.398 4.871 -0.473 1
1 409 . 17 1 1 A 41 41 SER CA C 41 58.288 57.521 0.767 1
1 410 . 17 1 1 A 41 41 SER CB C 41 63.893 62.530 1.363 1
1 411 . 17 1 1 A 41 41 SER N N 41 116.629 114.623 2.006 1
1 412 . 17 1 1 A 42 42 GLY HA2 H 42 4.040 4.001 0.039 1
1 413 . 17 1 1 A 42 42 GLY HA3 H 42 4.105 4.003 0.102 1
1 414 . 17 1 1 A 42 42 GLY CA C 42 44.637 46.011 -1.374 1
1 415 . 17 1 1 A 43 43 PRO HA H 43 4.407 4.652 -0.245 1
1 422 . 17 1 1 A 43 43 PRO CA C 43 63.220 62.484 0.736 1
1 423 . 17 1 1 A 43 43 PRO CB C 43 32.207 29.637 2.570 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.966 4.153 -0.187 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.966 4.156 -0.190 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.489 173.012 1.477 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.460 45.747 -0.287 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.117 8.747 -0.630 1
1 6 . 18 1 1 A 8 8 THR HA H 8 4.307 4.675 -0.368 1
1 11 . 18 1 1 A 8 8 THR C C 8 175.219 174.987 0.232 1
1 12 . 18 1 1 A 8 8 THR CA C 8 61.781 62.290 -0.509 1
1 13 . 18 1 1 A 8 8 THR CB C 8 69.794 69.823 -0.029 1
1 15 . 18 1 1 A 8 8 THR N N 8 112.800 117.723 -4.923 1
1 16 . 18 1 1 A 9 9 GLY H H 9 8.403 8.417 -0.014 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 3.961 4.115 -0.154 1
1 18 . 18 1 1 A 9 9 GLY HA3 H 9 3.906 4.116 -0.210 1
1 19 . 18 1 1 A 9 9 GLY C C 9 173.986 172.479 1.507 1
1 20 . 18 1 1 A 9 9 GLY CA C 9 45.291 44.061 1.230 1
1 21 . 18 1 1 A 9 9 GLY N N 9 110.970 112.153 -1.183 1
1 22 . 18 1 1 A 10 10 GLU H H 10 8.167 8.352 -0.185 1
1 23 . 18 1 1 A 10 10 GLU HA H 10 4.119 5.088 -0.969 1
1 28 . 18 1 1 A 10 10 GLU C C 10 176.245 175.431 0.814 1
1 29 . 18 1 1 A 10 10 GLU CA C 10 56.761 55.113 1.648 1
1 30 . 18 1 1 A 10 10 GLU CB C 10 30.315 32.214 -1.899 1
1 32 . 18 1 1 A 10 10 GLU N N 10 120.318 118.873 1.445 1
1 33 . 18 1 1 A 11 11 LYS H H 11 8.212 8.677 -0.465 1
1 34 . 18 1 1 A 11 11 LYS HA H 11 4.481 4.654 -0.173 1
1 43 . 18 1 1 A 11 11 LYS C C 11 174.425 176.377 -1.952 1
1 44 . 18 1 1 A 11 11 LYS CA C 11 53.842 53.613 0.229 1
1 45 . 18 1 1 A 11 11 LYS CB C 11 33.027 32.501 0.526 1
1 49 . 18 1 1 A 11 11 LYS N N 11 121.767 125.424 -3.657 1
1 50 . 18 1 1 A 12 12 PRO HA H 12 4.244 4.349 -0.105 1
1 57 . 18 1 1 A 12 12 PRO C C 12 176.079 175.584 0.495 1
1 58 . 18 1 1 A 12 12 PRO CA C 12 63.283 63.883 -0.600 1
1 59 . 18 1 1 A 12 12 PRO CB C 12 32.187 31.515 0.672 1
1 62 . 18 1 1 A 13 13 TYR H H 13 7.905 7.162 0.743 1
1 63 . 18 1 1 A 13 13 TYR HA H 13 4.586 5.350 -0.764 1
1 70 . 18 1 1 A 13 13 TYR C C 13 174.631 174.395 0.236 1
1 71 . 18 1 1 A 13 13 TYR CA C 13 57.403 56.176 1.227 1
1 72 . 18 1 1 A 13 13 TYR CB C 13 38.592 43.402 -4.810 1
1 77 . 18 1 1 A 13 13 TYR N N 13 118.258 118.849 -0.591 1
1 78 . 18 1 1 A 14 14 ASN H H 14 8.597 9.092 -0.495 1
1 79 . 18 1 1 A 14 14 ASN HA H 14 5.267 5.742 -0.475 1
1 84 . 18 1 1 A 14 14 ASN C C 14 173.616 173.641 -0.025 1
1 85 . 18 1 1 A 14 14 ASN CA C 14 52.533 52.429 0.104 1
1 86 . 18 1 1 A 14 14 ASN CB C 14 41.443 42.751 -1.308 1
1 87 . 18 1 1 A 14 14 ASN N N 14 120.998 117.803 3.195 1
1 89 . 18 1 1 A 15 15 CYS H H 15 9.170 9.233 -0.063 1
1 90 . 18 1 1 A 15 15 CYS HA H 15 4.549 4.699 -0.150 1
1 93 . 18 1 1 A 15 15 CYS C C 15 177.267 176.003 1.264 1
1 94 . 18 1 1 A 15 15 CYS CA C 15 59.191 58.585 0.606 1
1 95 . 18 1 1 A 15 15 CYS CB C 15 29.553 28.943 0.610 1
1 96 . 18 1 1 A 15 15 CYS N N 15 124.399 121.790 2.609 1
1 97 . 18 1 1 A 16 16 GLU H H 16 9.526 9.097 0.429 1
1 98 . 18 1 1 A 16 16 GLU HA H 16 4.060 4.610 -0.550 1
1 103 . 18 1 1 A 16 16 GLU C C 16 176.879 177.456 -0.577 1
1 104 . 18 1 1 A 16 16 GLU CA C 16 58.728 56.297 2.431 1
1 105 . 18 1 1 A 16 16 GLU CB C 16 29.577 29.919 -0.342 1
1 107 . 18 1 1 A 16 16 GLU N N 16 132.063 128.098 3.965 1
1 108 . 18 1 1 A 17 17 GLU H H 17 8.498 7.958 0.540 1
1 109 . 18 1 1 A 17 17 GLU HA H 17 4.116 4.358 -0.242 1
1 114 . 18 1 1 A 17 17 GLU C C 17 177.307 177.875 -0.568 1
1 115 . 18 1 1 A 17 17 GLU CA C 17 58.495 57.234 1.261 1
1 116 . 18 1 1 A 17 17 GLU CB C 17 29.466 30.287 -0.821 1
1 118 . 18 1 1 A 17 17 GLU N N 17 120.260 119.979 0.281 1
1 119 . 18 1 1 A 18 18 CYS H H 18 7.936 8.077 -0.141 1
1 120 . 18 1 1 A 18 18 CYS HA H 18 5.107 4.743 0.364 1
1 123 . 18 1 1 A 18 18 CYS C C 18 176.297 175.587 0.710 1
1 124 . 18 1 1 A 18 18 CYS CA C 18 58.394 59.710 -1.316 1
1 125 . 18 1 1 A 18 18 CYS CB C 18 32.435 29.959 2.476 1
1 126 . 18 1 1 A 18 18 CYS N N 18 114.580 115.143 -0.563 1
1 127 . 18 1 1 A 19 19 GLY H H 19 8.233 8.097 0.136 1
1 128 . 18 1 1 A 19 19 GLY HA2 H 19 3.818 4.080 -0.262 1
1 129 . 18 1 1 A 19 19 GLY HA3 H 19 4.158 4.085 0.073 1
1 130 . 18 1 1 A 19 19 GLY C C 19 174.201 174.405 -0.204 1
1 131 . 18 1 1 A 19 19 GLY CA C 19 46.129 45.210 0.919 1
1 132 . 18 1 1 A 19 19 GLY N N 19 113.640 109.928 3.712 1
1 133 . 18 1 1 A 20 20 LYS H H 20 7.816 7.841 -0.025 1
1 134 . 18 1 1 A 20 20 LYS HA H 20 3.889 4.711 -0.822 1
1 143 . 18 1 1 A 20 20 LYS C C 20 173.338 174.992 -1.654 1
1 144 . 18 1 1 A 20 20 LYS CA C 20 58.071 55.105 2.966 1
1 145 . 18 1 1 A 20 20 LYS CB C 20 33.760 34.163 -0.403 1
1 149 . 18 1 1 A 20 20 LYS N N 20 123.055 121.082 1.973 1
1 150 . 18 1 1 A 21 21 ALA H H 21 7.624 8.336 -0.712 1
1 151 . 18 1 1 A 21 21 ALA HA H 21 5.029 5.729 -0.700 1
1 155 . 18 1 1 A 21 21 ALA C C 21 176.478 175.984 0.494 1
1 156 . 18 1 1 A 21 21 ALA CA C 21 50.590 49.788 0.802 1
1 157 . 18 1 1 A 21 21 ALA CB C 21 22.409 22.813 -0.404 1
1 158 . 18 1 1 A 21 21 ALA N N 21 123.757 125.927 -2.170 1
1 159 . 18 1 1 A 22 22 PHE H H 22 8.570 8.845 -0.275 1
1 160 . 18 1 1 A 22 22 PHE HA H 22 4.696 5.048 -0.352 1
1 168 . 18 1 1 A 22 22 PHE C C 22 175.081 175.569 -0.488 1
1 169 . 18 1 1 A 22 22 PHE CA C 22 57.093 56.692 0.401 1
1 170 . 18 1 1 A 22 22 PHE CB C 22 43.428 43.740 -0.312 1
1 176 . 18 1 1 A 22 22 PHE N N 22 116.997 116.761 0.236 1
1 177 . 18 1 1 A 23 23 ILE H H 23 8.544 8.843 -0.299 1
1 178 . 18 1 1 A 23 23 ILE HA H 23 4.150 4.176 -0.026 1
1 188 . 18 1 1 A 23 23 ILE C C 23 175.250 176.069 -0.819 1
1 189 . 18 1 1 A 23 23 ILE CA C 23 63.146 62.614 0.532 1
1 190 . 18 1 1 A 23 23 ILE CB C 23 38.976 38.779 0.197 1
1 194 . 18 1 1 A 23 23 ILE N N 23 118.524 120.631 -2.107 1
1 195 . 18 1 1 A 24 24 HIS H H 24 7.481 8.312 -0.831 1
1 196 . 18 1 1 A 24 24 HIS HA H 24 4.930 5.020 -0.090 1
1 201 . 18 1 1 A 24 24 HIS C C 24 175.914 174.955 0.959 1
1 202 . 18 1 1 A 24 24 HIS CA C 24 54.508 55.069 -0.561 1
1 203 . 18 1 1 A 24 24 HIS CB C 24 34.064 32.327 1.737 1
1 206 . 18 1 1 A 24 24 HIS N N 24 115.184 117.434 -2.250 1
1 207 . 18 1 1 A 25 25 ASP H H 25 8.313 8.573 -0.260 1
1 208 . 18 1 1 A 25 25 ASP HA H 25 3.499 3.071 0.428 1
1 210 . 18 1 1 A 25 25 ASP C C 25 178.409 177.644 0.765 1
1 211 . 18 1 1 A 25 25 ASP CA C 25 56.851 56.642 0.209 1
1 212 . 18 1 1 A 25 25 ASP CB C 25 40.476 40.953 -0.477 1
1 213 . 18 1 1 A 25 25 ASP N N 25 126.437 122.738 3.699 1
1 214 . 18 1 1 A 26 26 SER H H 26 8.942 8.398 0.544 1
1 215 . 18 1 1 A 26 26 SER HA H 26 3.891 4.155 -0.264 1
1 218 . 18 1 1 A 26 26 SER C C 26 177.293 177.074 0.219 1
1 219 . 18 1 1 A 26 26 SER CA C 26 61.240 61.778 -0.538 1
1 220 . 18 1 1 A 26 26 SER CB C 26 61.426 62.671 -1.245 1
1 221 . 18 1 1 A 26 26 SER N N 26 114.987 113.114 1.873 1
1 222 . 18 1 1 A 27 27 GLN H H 27 6.908 8.057 -1.149 1
1 223 . 18 1 1 A 27 27 GLN HA H 27 3.996 4.014 -0.018 1
1 230 . 18 1 1 A 27 27 GLN C C 27 178.844 178.283 0.561 1
1 231 . 18 1 1 A 27 27 GLN CA C 27 57.699 58.931 -1.232 1
1 232 . 18 1 1 A 27 27 GLN CB C 27 28.809 28.283 0.526 1
1 234 . 18 1 1 A 27 27 GLN N N 27 120.797 121.495 -0.698 1
1 236 . 18 1 1 A 28 28 LEU H H 28 6.989 7.908 -0.919 1
1 237 . 18 1 1 A 28 28 LEU HA H 28 3.192 2.413 0.779 1
1 247 . 18 1 1 A 28 28 LEU C C 28 177.795 179.165 -1.370 1
1 248 . 18 1 1 A 28 28 LEU CA C 28 57.807 57.175 0.632 1
1 249 . 18 1 1 A 28 28 LEU CB C 28 40.185 41.422 -1.237 1
1 253 . 18 1 1 A 28 28 LEU N N 28 122.387 120.605 1.782 1
1 254 . 18 1 1 A 29 29 GLN H H 29 8.345 8.284 0.061 1
1 255 . 18 1 1 A 29 29 GLN HA H 29 3.923 3.825 0.098 1
1 262 . 18 1 1 A 29 29 GLN C C 29 179.092 178.624 0.468 1
1 263 . 18 1 1 A 29 29 GLN CA C 29 58.757 59.047 -0.290 1
1 264 . 18 1 1 A 29 29 GLN CB C 29 27.751 28.244 -0.493 1
1 266 . 18 1 1 A 29 29 GLN N N 29 117.492 117.935 -0.443 1
1 268 . 18 1 1 A 30 30 GLU H H 30 7.420 7.931 -0.511 1
1 269 . 18 1 1 A 30 30 GLU HA H 30 3.885 4.106 -0.221 1
1 274 . 18 1 1 A 30 30 GLU C C 30 178.747 178.746 0.001 1
1 275 . 18 1 1 A 30 30 GLU CA C 30 58.958 58.807 0.151 1
1 276 . 18 1 1 A 30 30 GLU CB C 30 29.563 29.435 0.128 1
1 278 . 18 1 1 A 30 30 GLU N N 30 118.075 118.402 -0.327 1
1 279 . 18 1 1 A 31 31 HIS H H 31 7.602 8.139 -0.537 1
1 280 . 18 1 1 A 31 31 HIS HA H 31 4.116 4.394 -0.278 1
1 285 . 18 1 1 A 31 31 HIS C C 31 176.263 177.013 -0.750 1
1 286 . 18 1 1 A 31 31 HIS CA C 31 59.038 58.782 0.256 1
1 287 . 18 1 1 A 31 31 HIS CB C 31 28.559 30.302 -1.743 1
1 290 . 18 1 1 A 31 31 HIS N N 31 119.104 119.832 -0.728 1
1 291 . 18 1 1 A 32 32 GLN H H 32 8.297 8.383 -0.086 1
1 292 . 18 1 1 A 32 32 GLN HA H 32 3.646 3.958 -0.312 1
1 299 . 18 1 1 A 32 32 GLN C C 32 177.393 178.648 -1.255 1
1 300 . 18 1 1 A 32 32 GLN CA C 32 59.179 59.098 0.081 1
1 301 . 18 1 1 A 32 32 GLN CB C 32 28.076 28.264 -0.188 1
1 303 . 18 1 1 A 32 32 GLN N N 32 115.048 117.813 -2.765 1
1 305 . 18 1 1 A 33 33 ARG H H 33 7.093 8.090 -0.997 1
1 306 . 18 1 1 A 33 33 ARG HA H 33 4.062 4.000 0.062 1
1 313 . 18 1 1 A 33 33 ARG C C 33 178.632 178.996 -0.364 1
1 314 . 18 1 1 A 33 33 ARG CA C 33 58.740 58.982 -0.242 1
1 315 . 18 1 1 A 33 33 ARG CB C 33 30.018 29.877 0.141 1
1 318 . 18 1 1 A 33 33 ARG N N 33 117.429 120.064 -2.635 1
1 319 . 18 1 1 A 34 34 ILE H H 34 7.742 7.785 -0.043 1
1 320 . 18 1 1 A 34 34 ILE HA H 34 3.907 3.731 0.176 1
1 330 . 18 1 1 A 34 34 ILE C C 34 177.477 177.521 -0.044 1
1 331 . 18 1 1 A 34 34 ILE CA C 34 62.981 64.074 -1.093 1
1 332 . 18 1 1 A 34 34 ILE CB C 34 37.561 37.263 0.298 1
1 336 . 18 1 1 A 34 34 ILE N N 34 116.287 117.900 -1.613 1
1 337 . 18 1 1 A 35 35 HIS H H 35 7.154 7.488 -0.334 1
1 338 . 18 1 1 A 35 35 HIS HA H 35 4.820 4.422 0.398 1
1 343 . 18 1 1 A 35 35 HIS C C 35 175.945 176.509 -0.564 1
1 344 . 18 1 1 A 35 35 HIS CA C 35 55.340 58.771 -3.431 1
1 345 . 18 1 1 A 35 35 HIS CB C 35 28.562 30.907 -2.345 1
1 348 . 18 1 1 A 35 35 HIS N N 35 117.832 119.727 -1.895 1
1 349 . 18 1 1 A 36 36 THR H H 36 7.768 7.848 -0.080 1
1 350 . 18 1 1 A 36 36 THR HA H 36 4.280 4.213 0.067 1
1 355 . 18 1 1 A 36 36 THR C C 36 175.527 175.040 0.487 1
1 356 . 18 1 1 A 36 36 THR CA C 36 62.599 61.898 0.701 1
1 357 . 18 1 1 A 36 36 THR CB C 36 69.779 68.003 1.776 1
1 359 . 18 1 1 A 36 36 THR N N 36 111.677 110.225 1.452 1
1 360 . 18 1 1 A 37 37 GLY H H 37 8.154 8.311 -0.157 1
1 361 . 18 1 1 A 37 37 GLY HA2 H 37 3.961 4.068 -0.107 1
1 362 . 18 1 1 A 37 37 GLY HA3 H 37 3.903 4.073 -0.170 1
1 363 . 18 1 1 A 37 37 GLY C C 37 174.033 173.698 0.335 1
1 364 . 18 1 1 A 37 37 GLY CA C 37 45.278 45.274 0.004 1
1 365 . 18 1 1 A 37 37 GLY N N 37 110.498 114.454 -3.956 1
1 366 . 18 1 1 A 38 38 GLU H H 38 8.043 7.978 0.065 1
1 367 . 18 1 1 A 38 38 GLU HA H 38 4.178 4.884 -0.706 1
1 372 . 18 1 1 A 38 38 GLU C C 38 176.163 174.889 1.274 1
1 373 . 18 1 1 A 38 38 GLU CA C 38 56.461 54.654 1.807 1
1 374 . 18 1 1 A 38 38 GLU CB C 38 30.437 33.916 -3.479 1
1 376 . 18 1 1 A 38 38 GLU N N 38 120.528 119.321 1.207 1
1 377 . 18 1 1 A 39 39 LYS H H 39 8.342 8.525 -0.183 1
1 378 . 18 1 1 A 39 39 LYS HA H 39 4.549 4.893 -0.344 1
1 387 . 18 1 1 A 39 39 LYS C C 39 174.171 174.901 -0.730 1
1 388 . 18 1 1 A 39 39 LYS CA C 39 54.043 53.708 0.335 1
1 389 . 18 1 1 A 39 39 LYS CB C 39 32.451 34.139 -1.688 1
1 393 . 18 1 1 A 39 39 LYS N N 39 123.761 118.752 5.009 1
1 394 . 18 1 1 A 40 40 PRO HA H 40 4.405 4.638 -0.233 1
1 401 . 18 1 1 A 40 40 PRO CA C 40 63.060 62.638 0.422 1
1 402 . 18 1 1 A 40 40 PRO CB C 40 32.128 33.343 -1.215 1
1 405 . 18 1 1 A 41 41 SER H H 41 8.479 8.923 -0.444 1
1 406 . 18 1 1 A 41 41 SER HA H 41 4.398 4.164 0.234 1
1 409 . 18 1 1 A 41 41 SER CA C 41 58.288 61.050 -2.762 1
1 410 . 18 1 1 A 41 41 SER CB C 41 63.893 62.570 1.323 1
1 411 . 18 1 1 A 41 41 SER N N 41 116.629 117.180 -0.551 1
1 412 . 18 1 1 A 42 42 GLY HA2 H 42 4.040 3.728 0.312 1
1 413 . 18 1 1 A 42 42 GLY HA3 H 42 4.105 3.729 0.376 1
1 414 . 18 1 1 A 42 42 GLY CA C 42 44.637 47.555 -2.918 1
1 415 . 18 1 1 A 43 43 PRO HA H 43 4.407 4.668 -0.261 1
1 422 . 18 1 1 A 43 43 PRO CA C 43 63.220 62.325 0.895 1
1 423 . 18 1 1 A 43 43 PRO CB C 43 32.207 29.434 2.773 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.966 4.000 -0.034 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.966 4.001 -0.035 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.489 175.224 -0.735 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.460 46.461 -1.001 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.117 8.251 -0.134 1
1 6 . 19 1 1 A 8 8 THR HA H 8 4.307 4.005 0.302 1
1 11 . 19 1 1 A 8 8 THR C C 8 175.219 175.208 0.011 1
1 12 . 19 1 1 A 8 8 THR CA C 8 61.781 65.613 -3.832 1
1 13 . 19 1 1 A 8 8 THR CB C 8 69.794 69.166 0.628 1
1 15 . 19 1 1 A 8 8 THR N N 8 112.800 112.122 0.678 1
1 16 . 19 1 1 A 9 9 GLY H H 9 8.403 7.355 1.048 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 3.961 4.077 -0.116 1
1 18 . 19 1 1 A 9 9 GLY HA3 H 9 3.906 4.080 -0.174 1
1 19 . 19 1 1 A 9 9 GLY C C 9 173.986 173.968 0.018 1
1 20 . 19 1 1 A 9 9 GLY CA C 9 45.291 45.578 -0.287 1
1 21 . 19 1 1 A 9 9 GLY N N 9 110.970 105.898 5.072 1
1 22 . 19 1 1 A 10 10 GLU H H 10 8.167 8.623 -0.456 1
1 23 . 19 1 1 A 10 10 GLU HA H 10 4.119 4.410 -0.291 1
1 28 . 19 1 1 A 10 10 GLU C C 10 176.245 175.258 0.987 1
1 29 . 19 1 1 A 10 10 GLU CA C 10 56.761 56.653 0.108 1
1 30 . 19 1 1 A 10 10 GLU CB C 10 30.315 29.920 0.395 1
1 32 . 19 1 1 A 10 10 GLU N N 10 120.318 121.115 -0.797 1
1 33 . 19 1 1 A 11 11 LYS H H 11 8.212 7.377 0.835 1
1 34 . 19 1 1 A 11 11 LYS HA H 11 4.481 4.735 -0.254 1
1 43 . 19 1 1 A 11 11 LYS C C 11 174.425 175.912 -1.487 1
1 44 . 19 1 1 A 11 11 LYS CA C 11 53.842 52.830 1.012 1
1 45 . 19 1 1 A 11 11 LYS CB C 11 33.027 34.337 -1.310 1
1 49 . 19 1 1 A 11 11 LYS N N 11 121.767 118.675 3.092 1
1 50 . 19 1 1 A 12 12 PRO HA H 12 4.244 4.363 -0.119 1
1 57 . 19 1 1 A 12 12 PRO C C 12 176.079 175.640 0.439 1
1 58 . 19 1 1 A 12 12 PRO CA C 12 63.283 63.913 -0.630 1
1 59 . 19 1 1 A 12 12 PRO CB C 12 32.187 31.345 0.842 1
1 62 . 19 1 1 A 13 13 TYR H H 13 7.905 7.177 0.728 1
1 63 . 19 1 1 A 13 13 TYR HA H 13 4.586 5.366 -0.780 1
1 70 . 19 1 1 A 13 13 TYR C C 13 174.631 174.523 0.108 1
1 71 . 19 1 1 A 13 13 TYR CA C 13 57.403 56.325 1.078 1
1 72 . 19 1 1 A 13 13 TYR CB C 13 38.592 43.290 -4.698 1
1 77 . 19 1 1 A 13 13 TYR N N 13 118.258 118.801 -0.543 1
1 78 . 19 1 1 A 14 14 ASN H H 14 8.597 9.042 -0.445 1
1 79 . 19 1 1 A 14 14 ASN HA H 14 5.267 5.462 -0.195 1
1 84 . 19 1 1 A 14 14 ASN C C 14 173.616 173.438 0.178 1
1 85 . 19 1 1 A 14 14 ASN CA C 14 52.533 52.662 -0.129 1
1 86 . 19 1 1 A 14 14 ASN CB C 14 41.443 42.558 -1.115 1
1 87 . 19 1 1 A 14 14 ASN N N 14 120.998 117.738 3.260 1
1 89 . 19 1 1 A 15 15 CYS H H 15 9.170 9.191 -0.021 1
1 90 . 19 1 1 A 15 15 CYS HA H 15 4.549 4.771 -0.222 1
1 93 . 19 1 1 A 15 15 CYS C C 15 177.267 175.944 1.323 1
1 94 . 19 1 1 A 15 15 CYS CA C 15 59.191 58.226 0.965 1
1 95 . 19 1 1 A 15 15 CYS CB C 15 29.553 29.365 0.188 1
1 96 . 19 1 1 A 15 15 CYS N N 15 124.399 121.728 2.671 1
1 97 . 19 1 1 A 16 16 GLU H H 16 9.526 9.089 0.437 1
1 98 . 19 1 1 A 16 16 GLU HA H 16 4.060 4.344 -0.284 1
1 103 . 19 1 1 A 16 16 GLU C C 16 176.879 178.177 -1.298 1
1 104 . 19 1 1 A 16 16 GLU CA C 16 58.728 57.942 0.786 1
1 105 . 19 1 1 A 16 16 GLU CB C 16 29.577 29.836 -0.259 1
1 107 . 19 1 1 A 16 16 GLU N N 16 132.063 127.970 4.093 1
1 108 . 19 1 1 A 17 17 GLU H H 17 8.498 7.952 0.546 1
1 109 . 19 1 1 A 17 17 GLU HA H 17 4.116 4.108 0.008 1
1 114 . 19 1 1 A 17 17 GLU C C 17 177.307 177.838 -0.531 1
1 115 . 19 1 1 A 17 17 GLU CA C 17 58.495 58.716 -0.221 1
1 116 . 19 1 1 A 17 17 GLU CB C 17 29.466 29.905 -0.439 1
1 118 . 19 1 1 A 17 17 GLU N N 17 120.260 117.978 2.282 1
1 119 . 19 1 1 A 18 18 CYS H H 18 7.936 7.880 0.056 1
1 120 . 19 1 1 A 18 18 CYS HA H 18 5.107 4.746 0.361 1
1 123 . 19 1 1 A 18 18 CYS C C 18 176.297 175.612 0.685 1
1 124 . 19 1 1 A 18 18 CYS CA C 18 58.394 59.723 -1.329 1
1 125 . 19 1 1 A 18 18 CYS CB C 18 32.435 29.976 2.459 1
1 126 . 19 1 1 A 18 18 CYS N N 18 114.580 115.140 -0.560 1
1 127 . 19 1 1 A 19 19 GLY H H 19 8.233 8.065 0.168 1
1 128 . 19 1 1 A 19 19 GLY HA2 H 19 3.818 4.054 -0.236 1
1 129 . 19 1 1 A 19 19 GLY HA3 H 19 4.158 4.064 0.094 1
1 130 . 19 1 1 A 19 19 GLY C C 19 174.201 174.580 -0.379 1
1 131 . 19 1 1 A 19 19 GLY CA C 19 46.129 45.088 1.041 1
1 132 . 19 1 1 A 19 19 GLY N N 19 113.640 109.837 3.803 1
1 133 . 19 1 1 A 20 20 LYS H H 20 7.816 7.563 0.253 1
1 134 . 19 1 1 A 20 20 LYS HA H 20 3.889 4.135 -0.246 1
1 143 . 19 1 1 A 20 20 LYS C C 20 173.338 176.260 -2.922 1
1 144 . 19 1 1 A 20 20 LYS CA C 20 58.071 56.581 1.490 1
1 145 . 19 1 1 A 20 20 LYS CB C 20 33.760 32.763 0.997 1
1 149 . 19 1 1 A 20 20 LYS N N 20 123.055 122.481 0.574 1
1 150 . 19 1 1 A 21 21 ALA H H 21 7.624 8.369 -0.745 1
1 151 . 19 1 1 A 21 21 ALA HA H 21 5.029 4.950 0.079 1
1 155 . 19 1 1 A 21 21 ALA C C 21 176.478 176.815 -0.337 1
1 156 . 19 1 1 A 21 21 ALA CA C 21 50.590 51.499 -0.909 1
1 157 . 19 1 1 A 21 21 ALA CB C 21 22.409 20.447 1.962 1
1 158 . 19 1 1 A 21 21 ALA N N 21 123.757 128.861 -5.104 1
1 159 . 19 1 1 A 22 22 PHE H H 22 8.570 8.981 -0.411 1
1 160 . 19 1 1 A 22 22 PHE HA H 22 4.696 4.963 -0.267 1
1 168 . 19 1 1 A 22 22 PHE C C 22 175.081 175.694 -0.613 1
1 169 . 19 1 1 A 22 22 PHE CA C 22 57.093 56.523 0.570 1
1 170 . 19 1 1 A 22 22 PHE CB C 22 43.428 43.037 0.391 1
1 176 . 19 1 1 A 22 22 PHE N N 22 116.997 116.512 0.485 1
1 177 . 19 1 1 A 23 23 ILE H H 23 8.544 8.619 -0.075 1
1 178 . 19 1 1 A 23 23 ILE HA H 23 4.150 4.114 0.036 1
1 188 . 19 1 1 A 23 23 ILE C C 23 175.250 176.500 -1.250 1
1 189 . 19 1 1 A 23 23 ILE CA C 23 63.146 62.880 0.266 1
1 190 . 19 1 1 A 23 23 ILE CB C 23 38.976 38.811 0.165 1
1 194 . 19 1 1 A 23 23 ILE N N 23 118.524 122.491 -3.967 1
1 195 . 19 1 1 A 24 24 HIS H H 24 7.481 7.988 -0.507 1
1 196 . 19 1 1 A 24 24 HIS HA H 24 4.930 5.082 -0.152 1
1 201 . 19 1 1 A 24 24 HIS C C 24 175.914 174.644 1.270 1
1 202 . 19 1 1 A 24 24 HIS CA C 24 54.508 54.196 0.312 1
1 203 . 19 1 1 A 24 24 HIS CB C 24 34.064 33.502 0.562 1
1 206 . 19 1 1 A 24 24 HIS N N 24 115.184 118.298 -3.114 1
1 207 . 19 1 1 A 25 25 ASP H H 25 8.313 8.479 -0.166 1
1 208 . 19 1 1 A 25 25 ASP HA H 25 3.499 3.034 0.465 1
1 210 . 19 1 1 A 25 25 ASP C C 25 178.409 177.690 0.719 1
1 211 . 19 1 1 A 25 25 ASP CA C 25 56.851 56.573 0.278 1
1 212 . 19 1 1 A 25 25 ASP CB C 25 40.476 40.755 -0.279 1
1 213 . 19 1 1 A 25 25 ASP N N 25 126.437 122.205 4.232 1
1 214 . 19 1 1 A 26 26 SER H H 26 8.942 8.315 0.627 1
1 215 . 19 1 1 A 26 26 SER HA H 26 3.891 4.183 -0.292 1
1 218 . 19 1 1 A 26 26 SER C C 26 177.293 177.167 0.126 1
1 219 . 19 1 1 A 26 26 SER CA C 26 61.240 61.728 -0.488 1
1 220 . 19 1 1 A 26 26 SER CB C 26 61.426 62.889 -1.463 1
1 221 . 19 1 1 A 26 26 SER N N 26 114.987 113.387 1.600 1
1 222 . 19 1 1 A 27 27 GLN H H 27 6.908 7.955 -1.047 1
1 223 . 19 1 1 A 27 27 GLN HA H 27 3.996 4.085 -0.089 1
1 230 . 19 1 1 A 27 27 GLN C C 27 178.844 178.255 0.589 1
1 231 . 19 1 1 A 27 27 GLN CA C 27 57.699 58.953 -1.254 1
1 232 . 19 1 1 A 27 27 GLN CB C 27 28.809 28.446 0.363 1
1 234 . 19 1 1 A 27 27 GLN N N 27 120.797 121.677 -0.880 1
1 236 . 19 1 1 A 28 28 LEU H H 28 6.989 7.887 -0.898 1
1 237 . 19 1 1 A 28 28 LEU HA H 28 3.192 1.725 1.467 1
1 247 . 19 1 1 A 28 28 LEU C C 28 177.795 178.586 -0.791 1
1 248 . 19 1 1 A 28 28 LEU CA C 28 57.807 57.001 0.806 1
1 249 . 19 1 1 A 28 28 LEU CB C 28 40.185 41.274 -1.089 1
1 253 . 19 1 1 A 28 28 LEU N N 28 122.387 120.504 1.883 1
1 254 . 19 1 1 A 29 29 GLN H H 29 8.345 8.429 -0.084 1
1 255 . 19 1 1 A 29 29 GLN HA H 29 3.923 3.798 0.125 1
1 262 . 19 1 1 A 29 29 GLN C C 29 179.092 178.181 0.911 1
1 263 . 19 1 1 A 29 29 GLN CA C 29 58.757 59.022 -0.265 1
1 264 . 19 1 1 A 29 29 GLN CB C 29 27.751 28.152 -0.401 1
1 266 . 19 1 1 A 29 29 GLN N N 29 117.492 117.474 0.018 1
1 268 . 19 1 1 A 30 30 GLU H H 30 7.420 7.873 -0.453 1
1 269 . 19 1 1 A 30 30 GLU HA H 30 3.885 4.067 -0.182 1
1 274 . 19 1 1 A 30 30 GLU C C 30 178.747 178.905 -0.158 1
1 275 . 19 1 1 A 30 30 GLU CA C 30 58.958 58.906 0.052 1
1 276 . 19 1 1 A 30 30 GLU CB C 30 29.563 29.595 -0.032 1
1 278 . 19 1 1 A 30 30 GLU N N 30 118.075 119.255 -1.180 1
1 279 . 19 1 1 A 31 31 HIS H H 31 7.602 8.322 -0.720 1
1 280 . 19 1 1 A 31 31 HIS HA H 31 4.116 4.307 -0.191 1
1 285 . 19 1 1 A 31 31 HIS C C 31 176.263 177.031 -0.768 1
1 286 . 19 1 1 A 31 31 HIS CA C 31 59.038 58.834 0.204 1
1 287 . 19 1 1 A 31 31 HIS CB C 31 28.559 30.274 -1.715 1
1 290 . 19 1 1 A 31 31 HIS N N 31 119.104 119.925 -0.821 1
1 291 . 19 1 1 A 32 32 GLN H H 32 8.297 8.356 -0.059 1
1 292 . 19 1 1 A 32 32 GLN HA H 32 3.646 3.903 -0.257 1
1 299 . 19 1 1 A 32 32 GLN C C 32 177.393 178.664 -1.271 1
1 300 . 19 1 1 A 32 32 GLN CA C 32 59.179 59.211 -0.032 1
1 301 . 19 1 1 A 32 32 GLN CB C 32 28.076 28.256 -0.180 1
1 303 . 19 1 1 A 32 32 GLN N N 32 115.048 117.371 -2.323 1
1 305 . 19 1 1 A 33 33 ARG H H 33 7.093 8.124 -1.031 1
1 306 . 19 1 1 A 33 33 ARG HA H 33 4.062 3.943 0.119 1
1 313 . 19 1 1 A 33 33 ARG C C 33 178.632 178.785 -0.153 1
1 314 . 19 1 1 A 33 33 ARG CA C 33 58.740 58.981 -0.241 1
1 315 . 19 1 1 A 33 33 ARG CB C 33 30.018 29.893 0.125 1
1 318 . 19 1 1 A 33 33 ARG N N 33 117.429 120.027 -2.598 1
1 319 . 19 1 1 A 34 34 ILE H H 34 7.742 7.814 -0.072 1
1 320 . 19 1 1 A 34 34 ILE HA H 34 3.907 3.711 0.196 1
1 330 . 19 1 1 A 34 34 ILE C C 34 177.477 177.109 0.368 1
1 331 . 19 1 1 A 34 34 ILE CA C 34 62.981 63.661 -0.680 1
1 332 . 19 1 1 A 34 34 ILE CB C 34 37.561 37.312 0.249 1
1 336 . 19 1 1 A 34 34 ILE N N 34 116.287 117.790 -1.503 1
1 337 . 19 1 1 A 35 35 HIS H H 35 7.154 7.875 -0.721 1
1 338 . 19 1 1 A 35 35 HIS HA H 35 4.820 4.467 0.353 1
1 343 . 19 1 1 A 35 35 HIS C C 35 175.945 175.807 0.138 1
1 344 . 19 1 1 A 35 35 HIS CA C 35 55.340 58.324 -2.984 1
1 345 . 19 1 1 A 35 35 HIS CB C 35 28.562 31.236 -2.674 1
1 348 . 19 1 1 A 35 35 HIS N N 35 117.832 119.993 -2.161 1
1 349 . 19 1 1 A 36 36 THR H H 36 7.768 7.694 0.074 1
1 350 . 19 1 1 A 36 36 THR HA H 36 4.280 4.496 -0.216 1
1 355 . 19 1 1 A 36 36 THR C C 36 175.527 175.702 -0.175 1
1 356 . 19 1 1 A 36 36 THR CA C 36 62.599 61.031 1.568 1
1 357 . 19 1 1 A 36 36 THR CB C 36 69.779 69.112 0.667 1
1 359 . 19 1 1 A 36 36 THR N N 36 111.677 111.913 -0.236 1
1 360 . 19 1 1 A 37 37 GLY H H 37 8.154 8.472 -0.318 1
1 361 . 19 1 1 A 37 37 GLY HA2 H 37 3.961 3.815 0.146 1
1 362 . 19 1 1 A 37 37 GLY HA3 H 37 3.903 3.815 0.088 1
1 363 . 19 1 1 A 37 37 GLY C C 37 174.033 175.428 -1.395 1
1 364 . 19 1 1 A 37 37 GLY CA C 37 45.278 47.261 -1.983 1
1 365 . 19 1 1 A 37 37 GLY N N 37 110.498 111.449 -0.951 1
1 366 . 19 1 1 A 38 38 GLU H H 38 8.043 7.933 0.110 1
1 367 . 19 1 1 A 38 38 GLU HA H 38 4.178 4.480 -0.302 1
1 372 . 19 1 1 A 38 38 GLU C C 38 176.163 176.385 -0.222 1
1 373 . 19 1 1 A 38 38 GLU CA C 38 56.461 55.404 1.057 1
1 374 . 19 1 1 A 38 38 GLU CB C 38 30.437 28.023 2.414 1
1 376 . 19 1 1 A 38 38 GLU N N 38 120.528 119.913 0.615 1
1 377 . 19 1 1 A 39 39 LYS H H 39 8.342 8.433 -0.091 1
1 378 . 19 1 1 A 39 39 LYS HA H 39 4.549 4.233 0.316 1
1 387 . 19 1 1 A 39 39 LYS C C 39 174.171 175.187 -1.016 1
1 388 . 19 1 1 A 39 39 LYS CA C 39 54.043 54.649 -0.606 1
1 389 . 19 1 1 A 39 39 LYS CB C 39 32.451 32.876 -0.425 1
1 393 . 19 1 1 A 39 39 LYS N N 39 123.761 126.682 -2.921 1
1 394 . 19 1 1 A 40 40 PRO HA H 40 4.405 4.601 -0.196 1
1 401 . 19 1 1 A 40 40 PRO CA C 40 63.060 62.265 0.795 1
1 402 . 19 1 1 A 40 40 PRO CB C 40 32.128 33.283 -1.155 1
1 405 . 19 1 1 A 41 41 SER H H 41 8.479 8.405 0.074 1
1 406 . 19 1 1 A 41 41 SER HA H 41 4.398 4.850 -0.452 1
1 409 . 19 1 1 A 41 41 SER CA C 41 58.288 57.104 1.184 1
1 410 . 19 1 1 A 41 41 SER CB C 41 63.893 63.444 0.449 1
1 411 . 19 1 1 A 41 41 SER N N 41 116.629 113.807 2.822 1
1 412 . 19 1 1 A 42 42 GLY HA2 H 42 4.040 3.900 0.140 1
1 413 . 19 1 1 A 42 42 GLY HA3 H 42 4.105 3.900 0.205 1
1 414 . 19 1 1 A 42 42 GLY CA C 42 44.637 47.038 -2.401 1
1 415 . 19 1 1 A 43 43 PRO HA H 43 4.407 4.512 -0.105 1
1 422 . 19 1 1 A 43 43 PRO CA C 43 63.220 64.632 -1.412 1
1 423 . 19 1 1 A 43 43 PRO CB C 43 32.207 32.097 0.110 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.966 3.817 0.149 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.966 3.818 0.148 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.489 173.733 0.756 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.460 47.247 -1.787 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.117 8.401 -0.284 1
1 6 . 20 1 1 A 8 8 THR HA H 8 4.307 5.076 -0.769 1
1 11 . 20 1 1 A 8 8 THR C C 8 175.219 173.346 1.873 1
1 12 . 20 1 1 A 8 8 THR CA C 8 61.781 59.540 2.241 1
1 13 . 20 1 1 A 8 8 THR CB C 8 69.794 72.025 -2.231 1
1 15 . 20 1 1 A 8 8 THR N N 8 112.800 111.625 1.175 1
1 16 . 20 1 1 A 9 9 GLY H H 9 8.403 8.504 -0.101 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 3.961 4.204 -0.243 1
1 18 . 20 1 1 A 9 9 GLY HA3 H 9 3.906 4.207 -0.301 1
1 19 . 20 1 1 A 9 9 GLY C C 9 173.986 174.155 -0.169 1
1 20 . 20 1 1 A 9 9 GLY CA C 9 45.291 45.671 -0.380 1
1 21 . 20 1 1 A 9 9 GLY N N 9 110.970 108.700 2.270 1
1 22 . 20 1 1 A 10 10 GLU H H 10 8.167 8.702 -0.535 1
1 23 . 20 1 1 A 10 10 GLU HA H 10 4.119 4.486 -0.367 1
1 28 . 20 1 1 A 10 10 GLU C C 10 176.245 176.766 -0.521 1
1 29 . 20 1 1 A 10 10 GLU CA C 10 56.761 56.190 0.571 1
1 30 . 20 1 1 A 10 10 GLU CB C 10 30.315 29.872 0.443 1
1 32 . 20 1 1 A 10 10 GLU N N 10 120.318 122.545 -2.227 1
1 33 . 20 1 1 A 11 11 LYS H H 11 8.212 7.256 0.956 1
1 34 . 20 1 1 A 11 11 LYS HA H 11 4.481 4.378 0.103 1
1 43 . 20 1 1 A 11 11 LYS C C 11 174.425 176.420 -1.995 1
1 44 . 20 1 1 A 11 11 LYS CA C 11 53.842 55.300 -1.458 1
1 45 . 20 1 1 A 11 11 LYS CB C 11 33.027 32.234 0.793 1
1 49 . 20 1 1 A 11 11 LYS N N 11 121.767 121.392 0.375 1
1 50 . 20 1 1 A 12 12 PRO HA H 12 4.244 4.358 -0.114 1
1 57 . 20 1 1 A 12 12 PRO C C 12 176.079 175.599 0.480 1
1 58 . 20 1 1 A 12 12 PRO CA C 12 63.283 63.915 -0.632 1
1 59 . 20 1 1 A 12 12 PRO CB C 12 32.187 31.452 0.735 1
1 62 . 20 1 1 A 13 13 TYR H H 13 7.905 7.216 0.689 1
1 63 . 20 1 1 A 13 13 TYR HA H 13 4.586 5.369 -0.783 1
1 70 . 20 1 1 A 13 13 TYR C C 13 174.631 174.505 0.126 1
1 71 . 20 1 1 A 13 13 TYR CA C 13 57.403 56.245 1.158 1
1 72 . 20 1 1 A 13 13 TYR CB C 13 38.592 43.444 -4.852 1
1 77 . 20 1 1 A 13 13 TYR N N 13 118.258 118.861 -0.603 1
1 78 . 20 1 1 A 14 14 ASN H H 14 8.597 9.139 -0.542 1
1 79 . 20 1 1 A 14 14 ASN HA H 14 5.267 5.942 -0.675 1
1 84 . 20 1 1 A 14 14 ASN C C 14 173.616 173.151 0.465 1
1 85 . 20 1 1 A 14 14 ASN CA C 14 52.533 52.410 0.123 1
1 86 . 20 1 1 A 14 14 ASN CB C 14 41.443 43.594 -2.151 1
1 87 . 20 1 1 A 14 14 ASN N N 14 120.998 117.866 3.132 1
1 89 . 20 1 1 A 15 15 CYS H H 15 9.170 8.995 0.175 1
1 90 . 20 1 1 A 15 15 CYS HA H 15 4.549 4.899 -0.350 1
1 93 . 20 1 1 A 15 15 CYS C C 15 177.267 175.593 1.674 1
1 94 . 20 1 1 A 15 15 CYS CA C 15 59.191 57.406 1.785 1
1 95 . 20 1 1 A 15 15 CYS CB C 15 29.553 30.227 -0.674 1
1 96 . 20 1 1 A 15 15 CYS N N 15 124.399 120.038 4.361 1
1 97 . 20 1 1 A 16 16 GLU H H 16 9.526 8.857 0.669 1
1 98 . 20 1 1 A 16 16 GLU HA H 16 4.060 4.111 -0.051 1
1 103 . 20 1 1 A 16 16 GLU C C 16 176.879 178.110 -1.231 1
1 104 . 20 1 1 A 16 16 GLU CA C 16 58.728 58.870 -0.142 1
1 105 . 20 1 1 A 16 16 GLU CB C 16 29.577 29.661 -0.084 1
1 107 . 20 1 1 A 16 16 GLU N N 16 132.063 127.760 4.303 1
1 108 . 20 1 1 A 17 17 GLU H H 17 8.498 7.959 0.539 1
1 109 . 20 1 1 A 17 17 GLU HA H 17 4.116 3.975 0.141 1
1 114 . 20 1 1 A 17 17 GLU C C 17 177.307 178.084 -0.777 1
1 115 . 20 1 1 A 17 17 GLU CA C 17 58.495 58.785 -0.290 1
1 116 . 20 1 1 A 17 17 GLU CB C 17 29.466 29.362 0.104 1
1 118 . 20 1 1 A 17 17 GLU N N 17 120.260 118.512 1.748 1
1 119 . 20 1 1 A 18 18 CYS H H 18 7.936 7.915 0.021 1
1 120 . 20 1 1 A 18 18 CYS HA H 18 5.107 4.706 0.401 1
1 123 . 20 1 1 A 18 18 CYS C C 18 176.297 175.361 0.936 1
1 124 . 20 1 1 A 18 18 CYS CA C 18 58.394 59.753 -1.359 1
1 125 . 20 1 1 A 18 18 CYS CB C 18 32.435 29.701 2.734 1
1 126 . 20 1 1 A 18 18 CYS N N 18 114.580 115.355 -0.775 1
1 127 . 20 1 1 A 19 19 GLY H H 19 8.233 7.904 0.329 1
1 128 . 20 1 1 A 19 19 GLY HA2 H 19 3.818 4.087 -0.269 1
1 129 . 20 1 1 A 19 19 GLY HA3 H 19 4.158 4.094 0.064 1
1 130 . 20 1 1 A 19 19 GLY C C 19 174.201 174.375 -0.174 1
1 131 . 20 1 1 A 19 19 GLY CA C 19 46.129 45.265 0.864 1
1 132 . 20 1 1 A 19 19 GLY N N 19 113.640 110.254 3.386 1
1 133 . 20 1 1 A 20 20 LYS H H 20 7.816 7.943 -0.127 1
1 134 . 20 1 1 A 20 20 LYS HA H 20 3.889 4.691 -0.802 1
1 143 . 20 1 1 A 20 20 LYS C C 20 173.338 175.290 -1.952 1
1 144 . 20 1 1 A 20 20 LYS CA C 20 58.071 55.217 2.854 1
1 145 . 20 1 1 A 20 20 LYS CB C 20 33.760 34.303 -0.543 1
1 149 . 20 1 1 A 20 20 LYS N N 20 123.055 121.489 1.566 1
1 150 . 20 1 1 A 21 21 ALA H H 21 7.624 8.312 -0.688 1
1 151 . 20 1 1 A 21 21 ALA HA H 21 5.029 5.726 -0.697 1
1 155 . 20 1 1 A 21 21 ALA C C 21 176.478 175.461 1.017 1
1 156 . 20 1 1 A 21 21 ALA CA C 21 50.590 49.912 0.678 1
1 157 . 20 1 1 A 21 21 ALA CB C 21 22.409 22.923 -0.514 1
1 158 . 20 1 1 A 21 21 ALA N N 21 123.757 124.150 -0.393 1
1 159 . 20 1 1 A 22 22 PHE H H 22 8.570 9.099 -0.529 1
1 160 . 20 1 1 A 22 22 PHE HA H 22 4.696 4.955 -0.259 1
1 168 . 20 1 1 A 22 22 PHE C C 22 175.081 175.676 -0.595 1
1 169 . 20 1 1 A 22 22 PHE CA C 22 57.093 56.688 0.405 1
1 170 . 20 1 1 A 22 22 PHE CB C 22 43.428 43.374 0.054 1
1 176 . 20 1 1 A 22 22 PHE N N 22 116.997 116.490 0.507 1
1 177 . 20 1 1 A 23 23 ILE H H 23 8.544 8.602 -0.058 1
1 178 . 20 1 1 A 23 23 ILE HA H 23 4.150 4.203 -0.053 1
1 188 . 20 1 1 A 23 23 ILE C C 23 175.250 176.466 -1.216 1
1 189 . 20 1 1 A 23 23 ILE CA C 23 63.146 62.841 0.305 1
1 190 . 20 1 1 A 23 23 ILE CB C 23 38.976 38.854 0.122 1
1 194 . 20 1 1 A 23 23 ILE N N 23 118.524 121.925 -3.401 1
1 195 . 20 1 1 A 24 24 HIS H H 24 7.481 8.079 -0.598 1
1 196 . 20 1 1 A 24 24 HIS HA H 24 4.930 4.908 0.022 1
1 201 . 20 1 1 A 24 24 HIS C C 24 175.914 175.020 0.894 1
1 202 . 20 1 1 A 24 24 HIS CA C 24 54.508 54.298 0.210 1
1 203 . 20 1 1 A 24 24 HIS CB C 24 34.064 32.230 1.834 1
1 206 . 20 1 1 A 24 24 HIS N N 24 115.184 117.657 -2.473 1
1 207 . 20 1 1 A 25 25 ASP H H 25 8.313 8.899 -0.586 1
1 208 . 20 1 1 A 25 25 ASP HA H 25 3.499 3.220 0.279 1
1 210 . 20 1 1 A 25 25 ASP C C 25 178.409 177.967 0.442 1
1 211 . 20 1 1 A 25 25 ASP CA C 25 56.851 56.554 0.297 1
1 212 . 20 1 1 A 25 25 ASP CB C 25 40.476 39.740 0.736 1
1 213 . 20 1 1 A 25 25 ASP N N 25 126.437 122.391 4.046 1
1 214 . 20 1 1 A 26 26 SER H H 26 8.942 8.338 0.604 1
1 215 . 20 1 1 A 26 26 SER HA H 26 3.891 4.180 -0.289 1
1 218 . 20 1 1 A 26 26 SER C C 26 177.293 177.019 0.274 1
1 219 . 20 1 1 A 26 26 SER CA C 26 61.240 61.637 -0.397 1
1 220 . 20 1 1 A 26 26 SER CB C 26 61.426 62.651 -1.225 1
1 221 . 20 1 1 A 26 26 SER N N 26 114.987 113.991 0.996 1
1 222 . 20 1 1 A 27 27 GLN H H 27 6.908 7.930 -1.022 1
1 223 . 20 1 1 A 27 27 GLN HA H 27 3.996 4.044 -0.048 1
1 230 . 20 1 1 A 27 27 GLN C C 27 178.844 178.148 0.696 1
1 231 . 20 1 1 A 27 27 GLN CA C 27 57.699 58.930 -1.231 1
1 232 . 20 1 1 A 27 27 GLN CB C 27 28.809 28.459 0.350 1
1 234 . 20 1 1 A 27 27 GLN N N 27 120.797 121.661 -0.864 1
1 236 . 20 1 1 A 28 28 LEU H H 28 6.989 7.525 -0.536 1
1 237 . 20 1 1 A 28 28 LEU HA H 28 3.192 1.902 1.290 1
1 247 . 20 1 1 A 28 28 LEU C C 28 177.795 178.475 -0.680 1
1 248 . 20 1 1 A 28 28 LEU CA C 28 57.807 57.197 0.610 1
1 249 . 20 1 1 A 28 28 LEU CB C 28 40.185 41.354 -1.169 1
1 253 . 20 1 1 A 28 28 LEU N N 28 122.387 121.031 1.356 1
1 254 . 20 1 1 A 29 29 GLN H H 29 8.345 8.394 -0.049 1
1 255 . 20 1 1 A 29 29 GLN HA H 29 3.923 3.813 0.110 1
1 262 . 20 1 1 A 29 29 GLN C C 29 179.092 178.523 0.569 1
1 263 . 20 1 1 A 29 29 GLN CA C 29 58.757 59.112 -0.355 1
1 264 . 20 1 1 A 29 29 GLN CB C 29 27.751 28.061 -0.310 1
1 266 . 20 1 1 A 29 29 GLN N N 29 117.492 117.700 -0.208 1
1 268 . 20 1 1 A 30 30 GLU H H 30 7.420 8.124 -0.704 1
1 269 . 20 1 1 A 30 30 GLU HA H 30 3.885 4.083 -0.198 1
1 274 . 20 1 1 A 30 30 GLU C C 30 178.747 178.705 0.042 1
1 275 . 20 1 1 A 30 30 GLU CA C 30 58.958 58.468 0.490 1
1 276 . 20 1 1 A 30 30 GLU CB C 30 29.563 29.588 -0.025 1
1 278 . 20 1 1 A 30 30 GLU N N 30 118.075 119.460 -1.385 1
1 279 . 20 1 1 A 31 31 HIS H H 31 7.602 8.161 -0.559 1
1 280 . 20 1 1 A 31 31 HIS HA H 31 4.116 4.426 -0.310 1
1 285 . 20 1 1 A 31 31 HIS C C 31 176.263 177.055 -0.792 1
1 286 . 20 1 1 A 31 31 HIS CA C 31 59.038 58.654 0.384 1
1 287 . 20 1 1 A 31 31 HIS CB C 31 28.559 30.364 -1.805 1
1 290 . 20 1 1 A 31 31 HIS N N 31 119.104 119.836 -0.732 1
1 291 . 20 1 1 A 32 32 GLN H H 32 8.297 8.511 -0.214 1
1 292 . 20 1 1 A 32 32 GLN HA H 32 3.646 3.810 -0.164 1
1 299 . 20 1 1 A 32 32 GLN C C 32 177.393 178.355 -0.962 1
1 300 . 20 1 1 A 32 32 GLN CA C 32 59.179 59.185 -0.006 1
1 301 . 20 1 1 A 32 32 GLN CB C 32 28.076 28.260 -0.184 1
1 303 . 20 1 1 A 32 32 GLN N N 32 115.048 117.556 -2.508 1
1 305 . 20 1 1 A 33 33 ARG H H 33 7.093 7.692 -0.599 1
1 306 . 20 1 1 A 33 33 ARG HA H 33 4.062 4.065 -0.003 1
1 313 . 20 1 1 A 33 33 ARG C C 33 178.632 177.891 0.741 1
1 314 . 20 1 1 A 33 33 ARG CA C 33 58.740 58.845 -0.105 1
1 315 . 20 1 1 A 33 33 ARG CB C 33 30.018 30.211 -0.193 1
1 318 . 20 1 1 A 33 33 ARG N N 33 117.429 117.900 -0.471 1
1 319 . 20 1 1 A 34 34 ILE H H 34 7.742 8.096 -0.354 1
1 320 . 20 1 1 A 34 34 ILE HA H 34 3.907 3.804 0.103 1
1 330 . 20 1 1 A 34 34 ILE C C 34 177.477 176.738 0.739 1
1 331 . 20 1 1 A 34 34 ILE CA C 34 62.981 63.865 -0.884 1
1 332 . 20 1 1 A 34 34 ILE CB C 34 37.561 37.383 0.178 1
1 336 . 20 1 1 A 34 34 ILE N N 34 116.287 116.007 0.280 1
1 337 . 20 1 1 A 35 35 HIS H H 35 7.154 7.859 -0.705 1
1 338 . 20 1 1 A 35 35 HIS HA H 35 4.820 4.557 0.263 1
1 343 . 20 1 1 A 35 35 HIS C C 35 175.945 175.685 0.260 1
1 344 . 20 1 1 A 35 35 HIS CA C 35 55.340 56.508 -1.168 1
1 345 . 20 1 1 A 35 35 HIS CB C 35 28.562 28.954 -0.392 1
1 348 . 20 1 1 A 35 35 HIS N N 35 117.832 119.476 -1.644 1
1 349 . 20 1 1 A 36 36 THR H H 36 7.768 8.142 -0.374 1
1 350 . 20 1 1 A 36 36 THR HA H 36 4.280 4.301 -0.021 1
1 355 . 20 1 1 A 36 36 THR C C 36 175.527 175.677 -0.150 1
1 356 . 20 1 1 A 36 36 THR CA C 36 62.599 61.581 1.018 1
1 357 . 20 1 1 A 36 36 THR CB C 36 69.779 68.849 0.930 1
1 359 . 20 1 1 A 36 36 THR N N 36 111.677 110.912 0.765 1
1 360 . 20 1 1 A 37 37 GLY H H 37 8.154 8.546 -0.392 1
1 361 . 20 1 1 A 37 37 GLY HA2 H 37 3.961 3.705 0.256 1
1 362 . 20 1 1 A 37 37 GLY HA3 H 37 3.903 3.713 0.190 1
1 363 . 20 1 1 A 37 37 GLY C C 37 174.033 175.762 -1.729 1
1 364 . 20 1 1 A 37 37 GLY CA C 37 45.278 46.843 -1.565 1
1 365 . 20 1 1 A 37 37 GLY N N 37 110.498 111.151 -0.653 1
1 366 . 20 1 1 A 38 38 GLU H H 38 8.043 7.865 0.178 1
1 367 . 20 1 1 A 38 38 GLU HA H 38 4.178 4.373 -0.195 1
1 372 . 20 1 1 A 38 38 GLU C C 38 176.163 175.456 0.707 1
1 373 . 20 1 1 A 38 38 GLU CA C 38 56.461 55.463 0.998 1
1 374 . 20 1 1 A 38 38 GLU CB C 38 30.437 28.151 2.286 1
1 376 . 20 1 1 A 38 38 GLU N N 38 120.528 125.884 -5.356 1
1 377 . 20 1 1 A 39 39 LYS H H 39 8.342 7.751 0.591 1
1 378 . 20 1 1 A 39 39 LYS HA H 39 4.549 4.643 -0.094 1
1 387 . 20 1 1 A 39 39 LYS C C 39 174.171 173.833 0.338 1
1 388 . 20 1 1 A 39 39 LYS CA C 39 54.043 53.681 0.362 1
1 389 . 20 1 1 A 39 39 LYS CB C 39 32.451 35.583 -3.132 1
1 393 . 20 1 1 A 39 39 LYS N N 39 123.761 122.793 0.968 1
1 394 . 20 1 1 A 40 40 PRO HA H 40 4.405 4.630 -0.225 1
1 401 . 20 1 1 A 40 40 PRO CA C 40 63.060 62.521 0.539 1
1 402 . 20 1 1 A 40 40 PRO CB C 40 32.128 33.416 -1.288 1
1 405 . 20 1 1 A 41 41 SER H H 41 8.479 8.760 -0.281 1
1 406 . 20 1 1 A 41 41 SER HA H 41 4.398 4.252 0.146 1
1 409 . 20 1 1 A 41 41 SER CA C 41 58.288 60.732 -2.444 1
1 410 . 20 1 1 A 41 41 SER CB C 41 63.893 63.522 0.371 1
1 411 . 20 1 1 A 41 41 SER N N 41 116.629 116.501 0.128 1
1 412 . 20 1 1 A 42 42 GLY HA2 H 42 4.040 4.284 -0.244 1
1 413 . 20 1 1 A 42 42 GLY HA3 H 42 4.105 4.285 -0.180 1
1 414 . 20 1 1 A 42 42 GLY CA C 42 44.637 45.726 -1.089 1
1 415 . 20 1 1 A 43 43 PRO HA H 43 4.407 4.542 -0.135 1
1 422 . 20 1 1 A 43 43 PRO CA C 43 63.220 62.802 0.418 1
1 423 . 20 1 1 A 43 43 PRO CB C 43 32.207 32.248 -0.041 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 33 1.162 1
2 1 1 1 "RMS(OBS, PRED)" CA 37 1.348 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.534 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.487 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.423 1
6 1 1 1 "RMS(OBS, PRED)" N 32 2.590 1
7 1 2 1 "RMS(OBS, PRED)" C 33 1.063 1
8 1 2 1 "RMS(OBS, PRED)" CA 37 1.343 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.479 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.516 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.408 1
12 1 2 1 "RMS(OBS, PRED)" N 32 2.789 1
13 1 3 1 "RMS(OBS, PRED)" C 33 1.074 1
14 1 3 1 "RMS(OBS, PRED)" CA 37 1.274 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.779 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.578 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.362 1
18 1 3 1 "RMS(OBS, PRED)" N 32 2.700 1
19 1 4 1 "RMS(OBS, PRED)" C 33 1.002 1
20 1 4 1 "RMS(OBS, PRED)" CA 37 1.186 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.569 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.554 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.336 1
24 1 4 1 "RMS(OBS, PRED)" N 32 2.413 1
25 1 5 1 "RMS(OBS, PRED)" C 33 1.205 1
26 1 5 1 "RMS(OBS, PRED)" CA 37 1.326 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.487 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.507 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.413 1
30 1 5 1 "RMS(OBS, PRED)" N 32 2.751 1
31 1 6 1 "RMS(OBS, PRED)" C 33 0.971 1
32 1 6 1 "RMS(OBS, PRED)" CA 37 1.210 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.398 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.501 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.379 1
36 1 6 1 "RMS(OBS, PRED)" N 32 2.579 1
37 1 7 1 "RMS(OBS, PRED)" C 33 1.030 1
38 1 7 1 "RMS(OBS, PRED)" CA 37 1.638 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.459 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.476 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.302 1
42 1 7 1 "RMS(OBS, PRED)" N 32 2.720 1
43 1 8 1 "RMS(OBS, PRED)" C 33 1.146 1
44 1 8 1 "RMS(OBS, PRED)" CA 37 1.535 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.686 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.512 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.401 1
48 1 8 1 "RMS(OBS, PRED)" N 32 2.755 1
49 1 9 1 "RMS(OBS, PRED)" C 33 0.954 1
50 1 9 1 "RMS(OBS, PRED)" CA 37 1.289 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.649 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.471 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.356 1
54 1 9 1 "RMS(OBS, PRED)" N 32 2.496 1
55 1 10 1 "RMS(OBS, PRED)" C 33 0.998 1
56 1 10 1 "RMS(OBS, PRED)" CA 37 1.032 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.356 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.455 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.349 1
60 1 10 1 "RMS(OBS, PRED)" N 32 2.241 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.006 1
62 1 11 1 "RMS(OBS, PRED)" CA 37 1.179 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.380 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.541 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.350 1
66 1 11 1 "RMS(OBS, PRED)" N 32 2.485 1
67 1 12 1 "RMS(OBS, PRED)" C 33 0.909 1
68 1 12 1 "RMS(OBS, PRED)" CA 37 1.265 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.609 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.535 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.361 1
72 1 12 1 "RMS(OBS, PRED)" N 32 2.573 1
73 1 13 1 "RMS(OBS, PRED)" C 33 1.073 1
74 1 13 1 "RMS(OBS, PRED)" CA 37 1.156 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.501 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.505 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.302 1
78 1 13 1 "RMS(OBS, PRED)" N 32 2.502 1
79 1 14 1 "RMS(OBS, PRED)" C 33 0.869 1
80 1 14 1 "RMS(OBS, PRED)" CA 37 1.140 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.368 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.506 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.346 1
84 1 14 1 "RMS(OBS, PRED)" N 32 2.847 1
85 1 15 1 "RMS(OBS, PRED)" C 33 0.891 1
86 1 15 1 "RMS(OBS, PRED)" CA 37 1.068 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.344 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.484 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.342 1
90 1 15 1 "RMS(OBS, PRED)" N 32 2.303 1
91 1 16 1 "RMS(OBS, PRED)" C 33 0.886 1
92 1 16 1 "RMS(OBS, PRED)" CA 37 1.232 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.323 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.524 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.345 1
96 1 16 1 "RMS(OBS, PRED)" N 32 2.760 1
97 1 17 1 "RMS(OBS, PRED)" C 33 1.106 1
98 1 17 1 "RMS(OBS, PRED)" CA 37 1.390 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.729 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.538 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.341 1
102 1 17 1 "RMS(OBS, PRED)" N 32 2.693 1
103 1 18 1 "RMS(OBS, PRED)" C 33 0.884 1
104 1 18 1 "RMS(OBS, PRED)" CA 37 1.329 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.621 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.501 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.392 1
108 1 18 1 "RMS(OBS, PRED)" N 32 2.499 1
109 1 19 1 "RMS(OBS, PRED)" C 33 0.940 1
110 1 19 1 "RMS(OBS, PRED)" CA 37 1.248 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.390 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.542 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.342 1
114 1 19 1 "RMS(OBS, PRED)" N 32 2.584 1
115 1 20 1 "RMS(OBS, PRED)" C 33 0.968 1
116 1 20 1 "RMS(OBS, PRED)" CA 37 1.111 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.516 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.530 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.383 1
120 1 20 1 "RMS(OBS, PRED)" N 32 2.253 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 7 7 GLY HA2 H 7 3.966 4.102 -0.136 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.966 4.104 -0.138 2
1 3 . 1 1 A 7 7 GLY C C 7 174.489 173.861 0.628 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.460 45.352 0.108 2
1 5 . 1 1 A 8 8 THR H H 8 8.117 8.263 -0.146 2
1 6 . 1 1 A 8 8 THR HA H 8 4.307 4.433 -0.126 2
1 11 . 1 1 A 8 8 THR C C 8 175.219 174.564 0.655 2
1 12 . 1 1 A 8 8 THR CA C 8 61.781 62.825 -1.044 2
1 13 . 1 1 A 8 8 THR CB C 8 69.794 69.471 0.323 2
1 15 . 1 1 A 8 8 THR N N 8 112.800 114.695 -1.895 2
1 16 . 1 1 A 9 9 GLY H H 9 8.403 8.229 0.174 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 3.961 4.093 -0.132 2
1 18 . 1 1 A 9 9 GLY HA3 H 9 3.906 4.096 -0.190 2
1 19 . 1 1 A 9 9 GLY C C 9 173.986 173.524 0.462 2
1 20 . 1 1 A 9 9 GLY CA C 9 45.291 45.414 -0.123 2
1 21 . 1 1 A 9 9 GLY N N 9 110.970 110.921 0.049 2
1 22 . 1 1 A 10 10 GLU H H 10 8.167 8.499 -0.332 2
1 23 . 1 1 A 10 10 GLU HA H 10 4.119 4.654 -0.535 2
1 28 . 1 1 A 10 10 GLU C C 10 176.245 175.882 0.363 2
1 29 . 1 1 A 10 10 GLU CA C 10 56.761 55.796 0.965 2
1 30 . 1 1 A 10 10 GLU CB C 10 30.315 31.082 -0.767 2
1 32 . 1 1 A 10 10 GLU N N 10 120.318 121.256 -0.938 2
1 33 . 1 1 A 11 11 LYS H H 11 8.212 7.960 0.252 2
1 34 . 1 1 A 11 11 LYS HA H 11 4.481 4.527 -0.046 2
1 43 . 1 1 A 11 11 LYS C C 11 174.425 176.279 -1.854 2
1 44 . 1 1 A 11 11 LYS CA C 11 53.842 54.168 -0.326 2
1 45 . 1 1 A 11 11 LYS CB C 11 33.027 32.989 0.038 2
1 49 . 1 1 A 11 11 LYS N N 11 121.767 122.827 -1.060 2
1 50 . 1 1 A 12 12 PRO HA H 12 4.244 4.365 -0.121 2
1 57 . 1 1 A 12 12 PRO C C 12 176.079 175.607 0.472 2
1 58 . 1 1 A 12 12 PRO CA C 12 63.283 63.924 -0.641 2
1 59 . 1 1 A 12 12 PRO CB C 12 32.187 31.457 0.730 2
1 62 . 1 1 A 13 13 TYR H H 13 7.905 7.224 0.681 2
1 63 . 1 1 A 13 13 TYR HA H 13 4.586 5.355 -0.769 2
1 70 . 1 1 A 13 13 TYR C C 13 174.631 174.480 0.151 2
1 71 . 1 1 A 13 13 TYR CA C 13 57.403 56.321 1.082 2
1 72 . 1 1 A 13 13 TYR CB C 13 38.592 43.296 -4.704 2
1 77 . 1 1 A 13 13 TYR N N 13 118.258 118.897 -0.639 2
1 78 . 1 1 A 14 14 ASN H H 14 8.597 9.085 -0.488 2
1 79 . 1 1 A 14 14 ASN HA H 14 5.267 5.729 -0.462 2
1 84 . 1 1 A 14 14 ASN C C 14 173.616 173.425 0.191 2
1 85 . 1 1 A 14 14 ASN CA C 14 52.533 52.449 0.084 2
1 86 . 1 1 A 14 14 ASN CB C 14 41.443 42.957 -1.514 2
1 87 . 1 1 A 14 14 ASN N N 14 120.998 117.848 3.150 2
1 89 . 1 1 A 15 15 CYS H H 15 9.170 9.030 0.140 2
1 90 . 1 1 A 15 15 CYS HA H 15 4.549 4.799 -0.250 2
1 93 . 1 1 A 15 15 CYS C C 15 177.267 175.771 1.496 2
1 94 . 1 1 A 15 15 CYS CA C 15 59.191 58.082 1.109 2
1 95 . 1 1 A 15 15 CYS CB C 15 29.553 29.007 0.546 2
1 96 . 1 1 A 15 15 CYS N N 15 124.399 121.240 3.159 2
1 97 . 1 1 A 16 16 GLU H H 16 9.526 8.966 0.560 2
1 98 . 1 1 A 16 16 GLU HA H 16 4.060 4.280 -0.220 2
1 103 . 1 1 A 16 16 GLU C C 16 176.879 177.786 -0.907 2
1 104 . 1 1 A 16 16 GLU CA C 16 58.728 57.905 0.823 2
1 105 . 1 1 A 16 16 GLU CB C 16 29.577 29.666 -0.089 2
1 107 . 1 1 A 16 16 GLU N N 16 132.063 127.569 4.494 2
1 108 . 1 1 A 17 17 GLU H H 17 8.498 7.940 0.558 2
1 109 . 1 1 A 17 17 GLU HA H 17 4.116 4.145 -0.029 2
1 114 . 1 1 A 17 17 GLU C C 17 177.307 177.912 -0.605 2
1 115 . 1 1 A 17 17 GLU CA C 17 58.495 58.119 0.376 2
1 116 . 1 1 A 17 17 GLU CB C 17 29.466 29.927 -0.461 2
1 118 . 1 1 A 17 17 GLU N N 17 120.260 118.813 1.447 2
1 119 . 1 1 A 18 18 CYS H H 18 7.936 7.945 -0.009 2
1 120 . 1 1 A 18 18 CYS HA H 18 5.107 4.725 0.382 2
1 123 . 1 1 A 18 18 CYS C C 18 176.297 175.469 0.828 2
1 124 . 1 1 A 18 18 CYS CA C 18 58.394 59.749 -1.355 2
1 125 . 1 1 A 18 18 CYS CB C 18 32.435 29.942 2.494 2
1 126 . 1 1 A 18 18 CYS N N 18 114.580 115.128 -0.548 2
1 127 . 1 1 A 19 19 GLY H H 19 8.233 8.089 0.144 2
1 128 . 1 1 A 19 19 GLY HA2 H 19 3.818 4.078 -0.260 2
1 129 . 1 1 A 19 19 GLY HA3 H 19 4.158 4.086 0.072 2
1 130 . 1 1 A 19 19 GLY C C 19 174.201 174.382 -0.181 2
1 131 . 1 1 A 19 19 GLY CA C 19 46.129 45.235 0.894 2
1 132 . 1 1 A 19 19 GLY N N 19 113.640 110.013 3.627 2
1 133 . 1 1 A 20 20 LYS H H 20 7.816 7.808 0.008 2
1 134 . 1 1 A 20 20 LYS HA H 20 3.889 4.528 -0.639 2
1 143 . 1 1 A 20 20 LYS C C 20 173.338 175.446 -2.108 2
1 144 . 1 1 A 20 20 LYS CA C 20 58.071 55.281 2.790 2
1 145 . 1 1 A 20 20 LYS CB C 20 33.760 34.216 -0.456 2
1 149 . 1 1 A 20 20 LYS N N 20 123.055 121.227 1.828 2
1 150 . 1 1 A 21 21 ALA H H 21 7.624 8.365 -0.741 2
1 151 . 1 1 A 21 21 ALA HA H 21 5.029 5.302 -0.273 2
1 155 . 1 1 A 21 21 ALA C C 21 176.478 176.140 0.338 2
1 156 . 1 1 A 21 21 ALA CA C 21 50.590 50.789 -0.199 2
1 157 . 1 1 A 21 21 ALA CB C 21 22.409 21.668 0.741 2
1 158 . 1 1 A 21 21 ALA N N 21 123.757 126.436 -2.680 2
1 159 . 1 1 A 22 22 PHE H H 22 8.570 9.060 -0.490 2
1 160 . 1 1 A 22 22 PHE HA H 22 4.696 4.944 -0.248 2
1 168 . 1 1 A 22 22 PHE C C 22 175.081 175.686 -0.605 2
1 169 . 1 1 A 22 22 PHE CA C 22 57.093 56.587 0.506 2
1 170 . 1 1 A 22 22 PHE CB C 22 43.428 43.337 0.091 2
1 176 . 1 1 A 22 22 PHE N N 22 116.997 116.962 0.035 2
1 177 . 1 1 A 23 23 ILE H H 23 8.544 8.677 -0.133 2
1 178 . 1 1 A 23 23 ILE HA H 23 4.150 4.160 -0.010 2
1 188 . 1 1 A 23 23 ILE C C 23 175.250 176.293 -1.043 2
1 189 . 1 1 A 23 23 ILE CA C 23 63.146 62.938 0.208 2
1 190 . 1 1 A 23 23 ILE CB C 23 38.976 38.850 0.126 2
1 194 . 1 1 A 23 23 ILE N N 23 118.524 121.785 -3.261 2
1 195 . 1 1 A 24 24 HIS H H 24 7.481 8.182 -0.701 2
1 196 . 1 1 A 24 24 HIS HA H 24 4.930 4.970 -0.040 2
1 201 . 1 1 A 24 24 HIS C C 24 175.914 174.896 1.018 2
1 202 . 1 1 A 24 24 HIS CA C 24 54.508 54.716 -0.208 2
1 203 . 1 1 A 24 24 HIS CB C 24 34.064 32.458 1.606 2
1 206 . 1 1 A 24 24 HIS N N 24 115.184 117.812 -2.628 2
1 207 . 1 1 A 25 25 ASP H H 25 8.313 8.748 -0.435 2
1 208 . 1 1 A 25 25 ASP HA H 25 3.499 3.234 0.265 2
1 210 . 1 1 A 25 25 ASP C C 25 178.409 177.863 0.546 2
1 211 . 1 1 A 25 25 ASP CA C 25 56.851 56.666 0.185 2
1 212 . 1 1 A 25 25 ASP CB C 25 40.476 40.225 0.251 2
1 213 . 1 1 A 25 25 ASP N N 25 126.437 122.095 4.342 2
1 214 . 1 1 A 26 26 SER H H 26 8.942 8.320 0.622 2
1 215 . 1 1 A 26 26 SER HA H 26 3.891 4.153 -0.262 2
1 218 . 1 1 A 26 26 SER C C 26 177.293 176.948 0.345 2
1 219 . 1 1 A 26 26 SER CA C 26 61.240 61.533 -0.293 2
1 220 . 1 1 A 26 26 SER CB C 26 61.426 62.729 -1.303 2
1 221 . 1 1 A 26 26 SER N N 26 114.987 114.144 0.843 2
1 222 . 1 1 A 27 27 GLN H H 27 6.908 7.796 -0.888 2
1 223 . 1 1 A 27 27 GLN HA H 27 3.996 4.046 -0.050 2
1 230 . 1 1 A 27 27 GLN C C 27 178.844 178.063 0.781 2
1 231 . 1 1 A 27 27 GLN CA C 27 57.699 58.780 -1.081 2
1 232 . 1 1 A 27 27 GLN CB C 27 28.809 28.521 0.288 2
1 234 . 1 1 A 27 27 GLN N N 27 120.797 121.683 -0.886 2
1 236 . 1 1 A 28 28 LEU H H 28 6.989 7.571 -0.582 2
1 237 . 1 1 A 28 28 LEU HA H 28 3.192 2.043 1.149 2
1 247 . 1 1 A 28 28 LEU C C 28 177.795 178.467 -0.672 2
1 248 . 1 1 A 28 28 LEU CA C 28 57.807 57.162 0.645 2
1 249 . 1 1 A 28 28 LEU CB C 28 40.185 41.211 -1.026 2
1 253 . 1 1 A 28 28 LEU N N 28 122.387 120.991 1.396 2
1 254 . 1 1 A 29 29 GLN H H 29 8.345 8.340 0.005 2
1 255 . 1 1 A 29 29 GLN HA H 29 3.923 3.823 0.100 2
1 262 . 1 1 A 29 29 GLN C C 29 179.092 178.429 0.663 2
1 263 . 1 1 A 29 29 GLN CA C 29 58.757 59.122 -0.365 2
1 264 . 1 1 A 29 29 GLN CB C 29 27.751 28.147 -0.396 2
1 266 . 1 1 A 29 29 GLN N N 29 117.492 117.658 -0.166 2
1 268 . 1 1 A 30 30 GLU H H 30 7.420 7.976 -0.556 2
1 269 . 1 1 A 30 30 GLU HA H 30 3.885 4.066 -0.180 2
1 274 . 1 1 A 30 30 GLU C C 30 178.747 178.719 0.028 2
1 275 . 1 1 A 30 30 GLU CA C 30 58.958 58.702 0.256 2
1 276 . 1 1 A 30 30 GLU CB C 30 29.563 29.546 0.017 2
1 278 . 1 1 A 30 30 GLU N N 30 118.075 119.195 -1.120 2
1 279 . 1 1 A 31 31 HIS H H 31 7.602 8.143 -0.541 2
1 280 . 1 1 A 31 31 HIS HA H 31 4.116 4.329 -0.213 2
1 285 . 1 1 A 31 31 HIS C C 31 176.263 177.067 -0.804 2
1 286 . 1 1 A 31 31 HIS CA C 31 59.038 58.730 0.308 2
1 287 . 1 1 A 31 31 HIS CB C 31 28.559 30.340 -1.781 2
1 290 . 1 1 A 31 31 HIS N N 31 119.104 119.847 -0.743 2
1 291 . 1 1 A 32 32 GLN H H 32 8.297 8.504 -0.207 2
1 292 . 1 1 A 32 32 GLN HA H 32 3.646 3.913 -0.268 2
1 299 . 1 1 A 32 32 GLN C C 32 177.393 178.565 -1.172 2
1 300 . 1 1 A 32 32 GLN CA C 32 59.179 59.097 0.082 2
1 301 . 1 1 A 32 32 GLN CB C 32 28.076 28.235 -0.159 2
1 303 . 1 1 A 32 32 GLN N N 32 115.048 117.865 -2.817 2
1 305 . 1 1 A 33 33 ARG H H 33 7.093 7.842 -0.749 2
1 306 . 1 1 A 33 33 ARG HA H 33 4.062 4.016 0.046 2
1 313 . 1 1 A 33 33 ARG C C 33 178.632 178.386 0.246 2
1 314 . 1 1 A 33 33 ARG CA C 33 58.740 58.830 -0.090 2
1 315 . 1 1 A 33 33 ARG CB C 33 30.018 29.862 0.156 2
1 318 . 1 1 A 33 33 ARG N N 33 117.429 119.083 -1.654 2
1 319 . 1 1 A 34 34 ILE H H 34 7.742 7.892 -0.150 2
1 320 . 1 1 A 34 34 ILE HA H 34 3.907 3.744 0.163 2
1 330 . 1 1 A 34 34 ILE C C 34 177.477 177.392 0.085 2
1 331 . 1 1 A 34 34 ILE CA C 34 62.981 63.781 -0.800 2
1 332 . 1 1 A 34 34 ILE CB C 34 37.561 37.244 0.317 2
1 336 . 1 1 A 34 34 ILE N N 34 116.287 117.029 -0.742 2
1 337 . 1 1 A 35 35 HIS H H 35 7.154 7.610 -0.456 2
1 338 . 1 1 A 35 35 HIS HA H 35 4.820 4.433 0.387 2
1 343 . 1 1 A 35 35 HIS C C 35 175.945 176.473 -0.528 2
1 344 . 1 1 A 35 35 HIS CA C 35 55.340 58.589 -3.249 2
1 345 . 1 1 A 35 35 HIS CB C 35 28.562 30.569 -2.007 2
1 348 . 1 1 A 35 35 HIS N N 35 117.832 119.990 -2.158 2
1 349 . 1 1 A 36 36 THR H H 36 7.768 7.818 -0.050 2
1 350 . 1 1 A 36 36 THR HA H 36 4.280 4.246 0.034 2
1 355 . 1 1 A 36 36 THR C C 36 175.527 175.160 0.367 2
1 356 . 1 1 A 36 36 THR CA C 36 62.599 62.701 -0.102 2
1 357 . 1 1 A 36 36 THR CB C 36 69.779 68.498 1.281 2
1 359 . 1 1 A 36 36 THR N N 36 111.677 111.182 0.495 2
1 360 . 1 1 A 37 37 GLY H H 37 8.154 8.242 -0.088 2
1 361 . 1 1 A 37 37 GLY HA2 H 37 3.961 3.989 -0.028 2
1 362 . 1 1 A 37 37 GLY HA3 H 37 3.903 3.995 -0.092 2
1 363 . 1 1 A 37 37 GLY C C 37 174.033 173.624 0.409 2
1 364 . 1 1 A 37 37 GLY CA C 37 45.278 45.877 -0.599 2
1 365 . 1 1 A 37 37 GLY N N 37 110.498 111.803 -1.305 2
1 366 . 1 1 A 38 38 GLU H H 38 8.043 8.197 -0.154 2
1 367 . 1 1 A 38 38 GLU HA H 38 4.178 4.685 -0.507 2
1 372 . 1 1 A 38 38 GLU C C 38 176.163 175.283 0.880 2
1 373 . 1 1 A 38 38 GLU CA C 38 56.461 55.321 1.140 2
1 374 . 1 1 A 38 38 GLU CB C 38 30.437 30.920 -0.483 2
1 376 . 1 1 A 38 38 GLU N N 38 120.528 120.972 -0.444 2
1 377 . 1 1 A 39 39 LYS H H 39 8.342 8.358 -0.016 2
1 378 . 1 1 A 39 39 LYS HA H 39 4.549 4.649 -0.100 2
1 387 . 1 1 A 39 39 LYS C C 39 174.171 174.911 -0.740 2
1 388 . 1 1 A 39 39 LYS CA C 39 54.043 54.080 -0.037 2
1 389 . 1 1 A 39 39 LYS CB C 39 32.451 34.064 -1.613 2
1 393 . 1 1 A 39 39 LYS N N 39 123.761 123.761 -0.000 2
1 394 . 1 1 A 40 40 PRO HA H 40 4.405 4.589 -0.184 2
1 401 . 1 1 A 40 40 PRO CA C 40 63.060 62.580 0.480 2
1 402 . 1 1 A 40 40 PRO CB C 40 32.128 33.060 -0.932 2
1 405 . 1 1 A 41 41 SER H H 41 8.479 8.524 -0.045 2
1 406 . 1 1 A 41 41 SER HA H 41 4.398 4.499 -0.101 2
1 409 . 1 1 A 41 41 SER CA C 41 58.288 58.757 -0.469 2
1 410 . 1 1 A 41 41 SER CB C 41 63.893 62.928 0.965 2
1 411 . 1 1 A 41 41 SER N N 41 116.629 115.685 0.944 2
1 412 . 1 1 A 42 42 GLY HA2 H 42 4.040 4.035 0.005 2
1 413 . 1 1 A 42 42 GLY HA3 H 42 4.105 4.036 0.069 2
1 414 . 1 1 A 42 42 GLY CA C 42 44.637 46.319 -1.682 2
1 415 . 1 1 A 43 43 PRO HA H 43 4.407 4.546 -0.139 2
1 422 . 1 1 A 43 43 PRO CA C 43 63.220 63.452 -0.232 2
1 423 . 1 1 A 43 43 PRO CB C 43 32.207 31.839 0.368 2
stop_
save_