data_10205_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10205
_Entry.PDB_ID 2EMK
_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 CA C 7 45.360 46.557 -1.197 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 3.977 3.880 0.097 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 3.977 3.885 0.092 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.507 175.650 -1.143 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.829 113.978 -1.149 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.115 8.029 0.086 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.759 65.420 -3.661 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.312 4.102 0.210 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.817 68.043 1.774 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.249 175.432 -0.183 1
1 16 . 1 1 1 A 9 9 GLY N N 9 110.896 109.217 1.679 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.416 7.815 0.601 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.299 46.154 -0.855 1
1 19 . 1 1 1 A 9 9 GLY HA2 H 9 3.900 4.074 -0.174 1
1 20 . 1 1 1 A 9 9 GLY HA3 H 9 3.900 4.074 -0.174 1
1 21 . 1 1 1 A 9 9 GLY C C 9 174.082 174.202 -0.120 1
1 22 . 1 1 1 A 10 10 GLU N N 10 120.023 121.360 -1.337 1
1 23 . 1 1 1 A 10 10 GLU H H 10 8.184 7.794 0.390 1
1 24 . 1 1 1 A 10 10 GLU CA C 10 56.936 57.089 -0.153 1
1 25 . 1 1 1 A 10 10 GLU HA H 10 4.102 4.193 -0.091 1
1 26 . 1 1 1 A 10 10 GLU CB C 10 30.327 30.434 -0.107 1
1 32 . 1 1 1 A 10 10 GLU C C 10 176.503 176.446 0.057 1
1 33 . 1 1 1 A 11 11 LYS N N 11 121.280 124.441 -3.161 1
1 34 . 1 1 1 A 11 11 LYS H H 11 8.281 8.491 -0.210 1
1 35 . 1 1 1 A 11 11 LYS CA C 11 53.669 54.862 -1.193 1
1 36 . 1 1 1 A 11 11 LYS HA H 11 4.388 4.188 0.200 1
1 37 . 1 1 1 A 11 11 LYS CB C 11 33.080 31.759 1.321 1
1 49 . 1 1 1 A 11 11 LYS C C 11 173.641 176.393 -2.752 1
1 50 . 1 1 1 A 12 12 PRO CA C 12 63.359 63.771 -0.412 1
1 51 . 1 1 1 A 12 12 PRO HA H 12 4.181 4.305 -0.124 1
1 52 . 1 1 1 A 12 12 PRO CB C 12 32.233 31.283 0.950 1
1 61 . 1 1 1 A 12 12 PRO C C 12 176.415 175.514 0.901 1
1 62 . 1 1 1 A 13 13 TYR N N 13 118.435 119.731 -1.296 1
1 63 . 1 1 1 A 13 13 TYR H H 13 7.798 7.220 0.578 1
1 64 . 1 1 1 A 13 13 TYR CA C 13 57.003 56.764 0.239 1
1 65 . 1 1 1 A 13 13 TYR HA H 13 4.666 5.078 -0.412 1
1 66 . 1 1 1 A 13 13 TYR CB C 13 38.081 39.862 -1.781 1
1 77 . 1 1 1 A 13 13 TYR C C 13 174.560 174.406 0.154 1
1 78 . 1 1 1 A 14 14 GLU N N 14 124.052 124.832 -0.780 1
1 79 . 1 1 1 A 14 14 GLU H H 14 8.452 8.961 -0.509 1
1 80 . 1 1 1 A 14 14 GLU CA C 14 55.017 55.020 -0.003 1
1 81 . 1 1 1 A 14 14 GLU HA H 14 4.842 5.335 -0.493 1
1 82 . 1 1 1 A 14 14 GLU CB C 14 32.845 33.533 -0.688 1
1 88 . 1 1 1 A 14 14 GLU C C 14 175.274 175.246 0.028 1
1 89 . 1 1 1 A 15 15 CYS N N 15 126.436 125.018 1.418 1
1 90 . 1 1 1 A 15 15 CYS H H 15 9.246 9.462 -0.216 1
1 91 . 1 1 1 A 15 15 CYS CA C 15 59.316 59.913 -0.597 1
1 92 . 1 1 1 A 15 15 CYS HA H 15 4.516 4.575 -0.059 1
1 93 . 1 1 1 A 15 15 CYS CB C 15 29.534 28.394 1.140 1
1 96 . 1 1 1 A 15 15 CYS C C 15 177.358 175.583 1.775 1
1 97 . 1 1 1 A 16 16 LYS N N 16 117.311 128.134 -10.823 1
1 98 . 1 1 1 A 16 16 LYS H H 16 9.330 8.984 0.346 1
1 99 . 1 1 1 A 16 16 LYS CA C 16 58.072 56.347 1.725 1
1 100 . 1 1 1 A 16 16 LYS HA H 16 4.136 4.462 -0.326 1
1 101 . 1 1 1 A 16 16 LYS CB C 16 31.984 32.048 -0.064 1
1 113 . 1 1 1 A 16 16 LYS C C 16 177.050 176.810 0.240 1
1 114 . 1 1 1 A 17 17 GLU N N 17 119.733 117.569 2.164 1
1 115 . 1 1 1 A 17 17 GLU H H 17 8.535 7.851 0.684 1
1 116 . 1 1 1 A 17 17 GLU CA C 17 58.258 56.940 1.318 1
1 117 . 1 1 1 A 17 17 GLU HA H 17 4.129 4.439 -0.310 1
1 118 . 1 1 1 A 17 17 GLU CB C 17 29.273 31.417 -2.144 1
1 124 . 1 1 1 A 17 17 GLU C C 17 177.315 177.865 -0.550 1
1 125 . 1 1 1 A 18 18 CYS N N 18 129.046 115.391 13.655 1
1 126 . 1 1 1 A 18 18 CYS H H 18 7.834 8.037 -0.203 1
1 127 . 1 1 1 A 18 18 CYS CA C 18 58.321 59.425 -1.104 1
1 128 . 1 1 1 A 18 18 CYS HA H 18 5.122 4.759 0.363 1
1 129 . 1 1 1 A 18 18 CYS CB C 18 32.639 30.351 2.288 1
1 132 . 1 1 1 A 18 18 CYS C C 18 176.226 175.571 0.655 1
1 133 . 1 1 1 A 19 19 GLY N N 19 113.826 110.014 3.812 1
1 134 . 1 1 1 A 19 19 GLY H H 19 8.242 8.495 -0.253 1
1 135 . 1 1 1 A 19 19 GLY CA C 19 46.088 46.153 -0.065 1
1 136 . 1 1 1 A 19 19 GLY HA2 H 19 4.179 3.973 0.206 1
1 137 . 1 1 1 A 19 19 GLY HA3 H 19 3.816 3.974 -0.158 1
1 138 . 1 1 1 A 19 19 GLY C C 19 173.827 173.849 -0.022 1
1 139 . 1 1 1 A 20 20 LYS N N 20 122.964 120.131 2.833 1
1 140 . 1 1 1 A 20 20 LYS H H 20 7.922 7.632 0.290 1
1 141 . 1 1 1 A 20 20 LYS CA C 20 58.100 54.990 3.110 1
1 142 . 1 1 1 A 20 20 LYS HA H 20 3.891 4.765 -0.874 1
1 143 . 1 1 1 A 20 20 LYS CB C 20 33.635 35.446 -1.811 1
1 155 . 1 1 1 A 20 20 LYS C C 20 173.610 174.129 -0.519 1
1 156 . 1 1 1 A 21 21 ALA N N 21 123.854 128.919 -5.065 1
1 157 . 1 1 1 A 21 21 ALA H H 21 7.723 8.684 -0.961 1
1 158 . 1 1 1 A 21 21 ALA CA C 21 50.412 50.077 0.335 1
1 159 . 1 1 1 A 21 21 ALA HA H 21 5.067 5.648 -0.581 1
1 160 . 1 1 1 A 21 21 ALA CB C 21 22.154 21.053 1.101 1
1 164 . 1 1 1 A 21 21 ALA C C 21 176.234 176.319 -0.085 1
1 165 . 1 1 1 A 22 22 PHE N N 22 116.521 119.675 -3.154 1
1 166 . 1 1 1 A 22 22 PHE H H 22 8.639 9.079 -0.440 1
1 167 . 1 1 1 A 22 22 PHE CA C 22 57.304 56.513 0.791 1
1 168 . 1 1 1 A 22 22 PHE HA H 22 4.745 4.977 -0.232 1
1 169 . 1 1 1 A 22 22 PHE CB C 22 44.191 43.077 1.114 1
1 182 . 1 1 1 A 22 22 PHE C C 22 175.366 175.649 -0.283 1
1 183 . 1 1 1 A 23 23 SER N N 23 115.521 118.043 -2.522 1
1 184 . 1 1 1 A 23 23 SER H H 23 9.661 9.017 0.644 1
1 185 . 1 1 1 A 23 23 SER CA C 23 59.967 57.922 2.045 1
1 186 . 1 1 1 A 23 23 SER HA H 23 4.679 4.834 -0.155 1
1 187 . 1 1 1 A 23 23 SER CB C 23 64.445 63.902 0.543 1
1 190 . 1 1 1 A 23 23 SER C C 23 174.027 173.899 0.128 1
1 191 . 1 1 1 A 24 24 GLN N N 24 115.852 120.581 -4.729 1
1 192 . 1 1 1 A 24 24 GLN H H 24 7.218 7.764 -0.546 1
1 193 . 1 1 1 A 24 24 GLN CA C 24 53.982 54.405 -0.423 1
1 194 . 1 1 1 A 24 24 GLN HA H 24 4.834 4.693 0.141 1
1 195 . 1 1 1 A 24 24 GLN CB C 24 32.152 31.627 0.525 1
1 204 . 1 1 1 A 24 24 GLN C C 24 176.620 175.699 0.921 1
1 205 . 1 1 1 A 25 25 THR CA C 25 65.709 66.112 -0.403 1
1 206 . 1 1 1 A 25 25 THR HA H 25 3.211 3.392 -0.181 1
1 207 . 1 1 1 A 25 25 THR CB C 25 67.811 68.163 -0.352 1
1 213 . 1 1 1 A 25 25 THR C C 25 176.919 176.383 0.536 1
1 214 . 1 1 1 A 26 26 THR N N 26 112.897 117.562 -4.665 1
1 215 . 1 1 1 A 26 26 THR H H 26 7.831 8.201 -0.370 1
1 216 . 1 1 1 A 26 26 THR CA C 26 65.080 65.244 -0.164 1
1 217 . 1 1 1 A 26 26 THR HA H 26 3.757 3.974 -0.217 1
1 218 . 1 1 1 A 26 26 THR CB C 26 68.011 68.528 -0.517 1
1 224 . 1 1 1 A 26 26 THR C C 26 176.443 176.198 0.245 1
1 225 . 1 1 1 A 27 27 HIS N N 27 119.551 121.113 -1.562 1
1 226 . 1 1 1 A 27 27 HIS H H 27 6.604 7.744 -1.140 1
1 227 . 1 1 1 A 27 27 HIS CA C 27 56.982 59.985 -3.003 1
1 228 . 1 1 1 A 27 27 HIS HA H 27 4.367 4.197 0.170 1
1 229 . 1 1 1 A 27 27 HIS CB C 27 31.824 30.146 1.678 1
1 236 . 1 1 1 A 27 27 HIS C C 27 178.059 176.139 1.920 1
1 237 . 1 1 1 A 28 28 LEU N N 28 121.872 119.738 2.134 1
1 238 . 1 1 1 A 28 28 LEU H H 28 6.995 7.635 -0.640 1
1 239 . 1 1 1 A 28 28 LEU CA C 28 57.919 58.053 -0.134 1
1 240 . 1 1 1 A 28 28 LEU HA H 28 3.210 3.371 -0.161 1
1 241 . 1 1 1 A 28 28 LEU CB C 28 40.630 41.531 -0.901 1
1 254 . 1 1 1 A 28 28 LEU C C 28 177.447 178.355 -0.908 1
1 255 . 1 1 1 A 29 29 ILE N N 29 119.734 119.873 -0.139 1
1 256 . 1 1 1 A 29 29 ILE H H 29 8.121 7.840 0.281 1
1 257 . 1 1 1 A 29 29 ILE CA C 29 64.592 64.841 -0.249 1
1 258 . 1 1 1 A 29 29 ILE HA H 29 3.681 3.529 0.152 1
1 259 . 1 1 1 A 29 29 ILE CB C 29 37.668 37.505 0.163 1
1 272 . 1 1 1 A 29 29 ILE C C 29 179.288 178.491 0.797 1
1 273 . 1 1 1 A 30 30 GLN N N 30 117.944 118.889 -0.945 1
1 274 . 1 1 1 A 30 30 GLN H H 30 7.660 7.684 -0.024 1
1 275 . 1 1 1 A 30 30 GLN CA C 30 58.702 58.867 -0.165 1
1 276 . 1 1 1 A 30 30 GLN HA H 30 3.893 3.975 -0.082 1
1 277 . 1 1 1 A 30 30 GLN CB C 30 28.308 28.645 -0.337 1
1 286 . 1 1 1 A 30 30 GLN C C 30 178.753 178.308 0.445 1
1 287 . 1 1 1 A 31 31 HIS N N 31 118.960 119.619 -0.659 1
1 288 . 1 1 1 A 31 31 HIS H H 31 7.639 8.241 -0.602 1
1 289 . 1 1 1 A 31 31 HIS CA C 31 58.828 59.745 -0.917 1
1 290 . 1 1 1 A 31 31 HIS HA H 31 4.183 4.217 -0.034 1
1 291 . 1 1 1 A 31 31 HIS CB C 31 28.483 29.375 -0.892 1
1 298 . 1 1 1 A 31 31 HIS C C 31 175.999 176.642 -0.643 1
1 299 . 1 1 1 A 32 32 GLN N N 32 115.694 117.550 -1.856 1
1 300 . 1 1 1 A 32 32 GLN H H 32 8.201 7.969 0.232 1
1 301 . 1 1 1 A 32 32 GLN CA C 32 59.179 59.170 0.009 1
1 302 . 1 1 1 A 32 32 GLN HA H 32 3.596 3.954 -0.358 1
1 303 . 1 1 1 A 32 32 GLN CB C 32 28.048 28.343 -0.295 1
1 312 . 1 1 1 A 32 32 GLN C C 32 177.337 178.372 -1.035 1
1 313 . 1 1 1 A 33 33 ARG N N 33 117.574 120.453 -2.879 1
1 314 . 1 1 1 A 33 33 ARG H H 33 7.079 8.139 -1.060 1
1 315 . 1 1 1 A 33 33 ARG CA C 33 58.431 58.985 -0.554 1
1 316 . 1 1 1 A 33 33 ARG HA H 33 4.090 3.974 0.116 1
1 317 . 1 1 1 A 33 33 ARG CB C 33 29.971 29.854 0.117 1
1 325 . 1 1 1 A 33 33 ARG C C 33 178.500 178.768 -0.268 1
1 326 . 1 1 1 A 34 34 VAL N N 34 116.091 116.829 -0.738 1
1 327 . 1 1 1 A 34 34 VAL H H 34 7.860 7.881 -0.021 1
1 328 . 1 1 1 A 34 34 VAL CA C 34 63.986 65.317 -1.331 1
1 329 . 1 1 1 A 34 34 VAL HA H 34 3.853 3.675 0.178 1
1 330 . 1 1 1 A 34 34 VAL CB C 34 31.100 31.163 -0.063 1
1 340 . 1 1 1 A 34 34 VAL C C 34 177.255 177.450 -0.195 1
1 341 . 1 1 1 A 35 35 HIS N N 35 117.210 119.828 -2.618 1
1 342 . 1 1 1 A 35 35 HIS H H 35 7.164 7.953 -0.789 1
1 343 . 1 1 1 A 35 35 HIS CA C 35 55.166 57.987 -2.821 1
1 344 . 1 1 1 A 35 35 HIS HA H 35 4.811 4.459 0.352 1
1 345 . 1 1 1 A 35 35 HIS CB C 35 28.575 31.059 -2.484 1
1 352 . 1 1 1 A 35 35 HIS C C 35 175.753 175.826 -0.073 1
1 353 . 1 1 1 A 36 36 THR N N 36 111.834 113.355 -1.521 1
1 354 . 1 1 1 A 36 36 THR H H 36 7.736 7.814 -0.078 1
1 355 . 1 1 1 A 36 36 THR CA C 36 62.474 60.913 1.561 1
1 356 . 1 1 1 A 36 36 THR HA H 36 4.296 4.453 -0.157 1
1 357 . 1 1 1 A 36 36 THR CB C 36 69.785 69.010 0.775 1
1 363 . 1 1 1 A 36 36 THR C C 36 175.464 174.320 1.144 1
1 364 . 1 1 1 A 37 37 GLY N N 37 110.633 110.189 0.444 1
1 365 . 1 1 1 A 37 37 GLY H H 37 8.203 7.447 0.756 1
1 366 . 1 1 1 A 37 37 GLY CA C 37 45.294 45.745 -0.451 1
1 367 . 1 1 1 A 37 37 GLY HA2 H 37 3.963 4.145 -0.182 1
1 368 . 1 1 1 A 37 37 GLY HA3 H 37 3.898 4.155 -0.257 1
1 369 . 1 1 1 A 37 37 GLY C C 37 174.023 172.927 1.096 1
1 370 . 1 1 1 A 38 38 GLU N N 38 120.541 119.419 1.122 1
1 371 . 1 1 1 A 38 38 GLU H H 38 8.056 8.005 0.051 1
1 372 . 1 1 1 A 38 38 GLU CA C 38 56.376 54.395 1.981 1
1 373 . 1 1 1 A 38 38 GLU HA H 38 4.185 4.898 -0.713 1
1 374 . 1 1 1 A 38 38 GLU CB C 38 30.483 33.539 -3.056 1
1 380 . 1 1 1 A 38 38 GLU C C 38 176.222 175.233 0.989 1
1 381 . 1 1 1 A 39 39 LYS N N 39 123.877 121.864 2.013 1
1 382 . 1 1 1 A 39 39 LYS H H 39 8.382 8.735 -0.353 1
1 383 . 1 1 1 A 39 39 LYS CA C 39 54.071 53.386 0.685 1
1 384 . 1 1 1 A 39 39 LYS HA H 39 4.545 5.028 -0.483 1
1 385 . 1 1 1 A 39 39 LYS CB C 39 32.423 33.333 -0.910 1
1 396 . 1 1 1 A 39 39 LYS C C 39 174.477 174.363 0.114 1
1 397 . 1 1 1 A 40 40 PRO CA C 40 63.142 62.777 0.365 1
1 398 . 1 1 1 A 40 40 PRO HA H 40 4.399 4.493 -0.094 1
1 399 . 1 1 1 A 40 40 PRO CB C 40 32.100 31.690 0.410 1
1 408 . 1 1 1 A 40 40 PRO C C 40 176.965 176.853 0.112 1
1 409 . 1 1 1 A 41 41 SER N N 41 116.545 118.247 -1.702 1
1 410 . 1 1 1 A 41 41 SER H H 41 8.456 8.635 -0.179 1
1 411 . 1 1 1 A 41 41 SER CA C 41 58.303 60.188 -1.885 1
1 412 . 1 1 1 A 41 41 SER HA H 41 4.418 4.159 0.259 1
1 413 . 1 1 1 A 41 41 SER CB C 41 64.033 62.632 1.401 1
1 416 . 1 1 1 A 41 41 SER C C 41 174.604 175.792 -1.188 1
1 417 . 1 1 1 A 42 42 GLY CA C 42 44.595 46.928 -2.333 1
1 418 . 1 1 1 A 42 42 GLY HA2 H 42 4.043 3.888 0.155 1
1 419 . 1 1 1 A 42 42 GLY HA3 H 42 4.102 3.889 0.213 1
1 420 . 1 1 1 A 43 43 PRO CA C 43 63.183 62.616 0.567 1
1 421 . 1 1 1 A 43 43 PRO HA H 43 4.409 4.622 -0.213 1
1 422 . 1 1 1 A 43 43 PRO CB C 43 32.160 31.538 0.622 1
1 431 . 1 1 1 A 45 45 SER CA C 45 58.358 57.270 1.088 1
1 432 . 1 1 1 A 45 45 SER HA H 45 4.458 4.748 -0.290 1
1 433 . 1 1 1 A 45 45 SER CB C 45 64.035 65.721 -1.686 1
1 435 . 1 1 1 A 45 45 SER C C 45 173.906 173.482 0.424 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.360 44.916 0.444 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 3.977 4.085 -0.108 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 3.977 4.086 -0.109 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.507 172.947 1.560 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.829 114.424 -1.595 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.115 8.197 -0.082 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.759 61.927 -0.168 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.312 4.295 0.017 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.817 69.649 0.168 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.249 174.211 1.038 1
1 16 . 2 1 1 A 9 9 GLY N N 9 110.896 109.649 1.247 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.416 8.440 -0.024 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.299 45.859 -0.560 1
1 19 . 2 1 1 A 9 9 GLY HA2 H 9 3.900 4.100 -0.200 1
1 20 . 2 1 1 A 9 9 GLY HA3 H 9 3.900 4.102 -0.202 1
1 21 . 2 1 1 A 9 9 GLY C C 9 174.082 174.581 -0.499 1
1 22 . 2 1 1 A 10 10 GLU N N 10 120.023 120.814 -0.791 1
1 23 . 2 1 1 A 10 10 GLU H H 10 8.184 7.881 0.303 1
1 24 . 2 1 1 A 10 10 GLU CA C 10 56.936 57.334 -0.398 1
1 25 . 2 1 1 A 10 10 GLU HA H 10 4.102 4.226 -0.124 1
1 26 . 2 1 1 A 10 10 GLU CB C 10 30.327 30.686 -0.359 1
1 32 . 2 1 1 A 10 10 GLU C C 10 176.503 175.620 0.883 1
1 33 . 2 1 1 A 11 11 LYS N N 11 121.280 122.260 -0.980 1
1 34 . 2 1 1 A 11 11 LYS H H 11 8.281 8.253 0.028 1
1 35 . 2 1 1 A 11 11 LYS CA C 11 53.669 52.880 0.789 1
1 36 . 2 1 1 A 11 11 LYS HA H 11 4.388 4.660 -0.272 1
1 37 . 2 1 1 A 11 11 LYS CB C 11 33.080 34.129 -1.049 1
1 49 . 2 1 1 A 11 11 LYS C C 11 173.641 175.965 -2.324 1
1 50 . 2 1 1 A 12 12 PRO CA C 12 63.359 63.682 -0.323 1
1 51 . 2 1 1 A 12 12 PRO HA H 12 4.181 4.347 -0.166 1
1 52 . 2 1 1 A 12 12 PRO CB C 12 32.233 31.312 0.921 1
1 61 . 2 1 1 A 12 12 PRO C C 12 176.415 175.642 0.773 1
1 62 . 2 1 1 A 13 13 TYR N N 13 118.435 119.635 -1.200 1
1 63 . 2 1 1 A 13 13 TYR H H 13 7.798 7.216 0.582 1
1 64 . 2 1 1 A 13 13 TYR CA C 13 57.003 56.873 0.130 1
1 65 . 2 1 1 A 13 13 TYR HA H 13 4.666 5.197 -0.531 1
1 66 . 2 1 1 A 13 13 TYR CB C 13 38.081 40.481 -2.400 1
1 77 . 2 1 1 A 13 13 TYR C C 13 174.560 174.452 0.108 1
1 78 . 2 1 1 A 14 14 GLU N N 14 124.052 124.897 -0.845 1
1 79 . 2 1 1 A 14 14 GLU H H 14 8.452 9.085 -0.633 1
1 80 . 2 1 1 A 14 14 GLU CA C 14 55.017 54.964 0.053 1
1 81 . 2 1 1 A 14 14 GLU HA H 14 4.842 5.287 -0.445 1
1 82 . 2 1 1 A 14 14 GLU CB C 14 32.845 33.733 -0.888 1
1 88 . 2 1 1 A 14 14 GLU C C 14 175.274 175.133 0.141 1
1 89 . 2 1 1 A 15 15 CYS N N 15 126.436 124.626 1.810 1
1 90 . 2 1 1 A 15 15 CYS H H 15 9.246 9.519 -0.273 1
1 91 . 2 1 1 A 15 15 CYS CA C 15 59.316 59.617 -0.301 1
1 92 . 2 1 1 A 15 15 CYS HA H 15 4.516 4.639 -0.123 1
1 93 . 2 1 1 A 15 15 CYS CB C 15 29.534 28.072 1.462 1
1 96 . 2 1 1 A 15 15 CYS C C 15 177.358 176.150 1.208 1
1 97 . 2 1 1 A 16 16 LYS N N 16 117.311 128.305 -10.994 1
1 98 . 2 1 1 A 16 16 LYS H H 16 9.330 9.046 0.284 1
1 99 . 2 1 1 A 16 16 LYS CA C 16 58.072 56.249 1.823 1
1 100 . 2 1 1 A 16 16 LYS HA H 16 4.136 4.441 -0.305 1
1 101 . 2 1 1 A 16 16 LYS CB C 16 31.984 32.710 -0.726 1
1 113 . 2 1 1 A 16 16 LYS C C 16 177.050 177.758 -0.708 1
1 114 . 2 1 1 A 17 17 GLU N N 17 119.733 119.743 -0.010 1
1 115 . 2 1 1 A 17 17 GLU H H 17 8.535 7.808 0.727 1
1 116 . 2 1 1 A 17 17 GLU CA C 17 58.258 56.803 1.455 1
1 117 . 2 1 1 A 17 17 GLU HA H 17 4.129 4.377 -0.248 1
1 118 . 2 1 1 A 17 17 GLU CB C 17 29.273 30.912 -1.639 1
1 124 . 2 1 1 A 17 17 GLU C C 17 177.315 177.504 -0.189 1
1 125 . 2 1 1 A 18 18 CYS N N 18 129.046 114.815 14.231 1
1 126 . 2 1 1 A 18 18 CYS H H 18 7.834 7.937 -0.103 1
1 127 . 2 1 1 A 18 18 CYS CA C 18 58.321 59.402 -1.081 1
1 128 . 2 1 1 A 18 18 CYS HA H 18 5.122 4.723 0.399 1
1 129 . 2 1 1 A 18 18 CYS CB C 18 32.639 30.375 2.264 1
1 132 . 2 1 1 A 18 18 CYS C C 18 176.226 175.764 0.462 1
1 133 . 2 1 1 A 19 19 GLY N N 19 113.826 110.108 3.718 1
1 134 . 2 1 1 A 19 19 GLY H H 19 8.242 8.490 -0.248 1
1 135 . 2 1 1 A 19 19 GLY CA C 19 46.088 45.786 0.302 1
1 136 . 2 1 1 A 19 19 GLY HA2 H 19 4.179 4.051 0.128 1
1 137 . 2 1 1 A 19 19 GLY HA3 H 19 3.816 4.058 -0.242 1
1 138 . 2 1 1 A 19 19 GLY C C 19 173.827 173.961 -0.134 1
1 139 . 2 1 1 A 20 20 LYS N N 20 122.964 120.045 2.919 1
1 140 . 2 1 1 A 20 20 LYS H H 20 7.922 7.674 0.248 1
1 141 . 2 1 1 A 20 20 LYS CA C 20 58.100 54.840 3.260 1
1 142 . 2 1 1 A 20 20 LYS HA H 20 3.891 4.648 -0.757 1
1 143 . 2 1 1 A 20 20 LYS CB C 20 33.635 35.049 -1.414 1
1 155 . 2 1 1 A 20 20 LYS C C 20 173.610 174.545 -0.935 1
1 156 . 2 1 1 A 21 21 ALA N N 21 123.854 128.877 -5.023 1
1 157 . 2 1 1 A 21 21 ALA H H 21 7.723 8.808 -1.085 1
1 158 . 2 1 1 A 21 21 ALA CA C 21 50.412 50.225 0.187 1
1 159 . 2 1 1 A 21 21 ALA HA H 21 5.067 5.710 -0.643 1
1 160 . 2 1 1 A 21 21 ALA CB C 21 22.154 21.626 0.528 1
1 164 . 2 1 1 A 21 21 ALA C C 21 176.234 176.277 -0.043 1
1 165 . 2 1 1 A 22 22 PHE N N 22 116.521 119.524 -3.003 1
1 166 . 2 1 1 A 22 22 PHE H H 22 8.639 8.727 -0.088 1
1 167 . 2 1 1 A 22 22 PHE CA C 22 57.304 56.710 0.594 1
1 168 . 2 1 1 A 22 22 PHE HA H 22 4.745 5.051 -0.306 1
1 169 . 2 1 1 A 22 22 PHE CB C 22 44.191 41.928 2.263 1
1 182 . 2 1 1 A 22 22 PHE C C 22 175.366 176.158 -0.792 1
1 183 . 2 1 1 A 23 23 SER N N 23 115.521 119.115 -3.594 1
1 184 . 2 1 1 A 23 23 SER H H 23 9.661 8.966 0.695 1
1 185 . 2 1 1 A 23 23 SER CA C 23 59.967 61.740 -1.773 1
1 186 . 2 1 1 A 23 23 SER HA H 23 4.679 4.335 0.344 1
1 187 . 2 1 1 A 23 23 SER CB C 23 64.445 62.874 1.571 1
1 190 . 2 1 1 A 23 23 SER C C 23 174.027 175.070 -1.043 1
1 191 . 2 1 1 A 24 24 GLN N N 24 115.852 120.169 -4.317 1
1 192 . 2 1 1 A 24 24 GLN H H 24 7.218 8.009 -0.791 1
1 193 . 2 1 1 A 24 24 GLN CA C 24 53.982 54.379 -0.397 1
1 194 . 2 1 1 A 24 24 GLN HA H 24 4.834 4.776 0.058 1
1 195 . 2 1 1 A 24 24 GLN CB C 24 32.152 31.216 0.936 1
1 204 . 2 1 1 A 24 24 GLN C C 24 176.620 176.376 0.244 1
1 205 . 2 1 1 A 25 25 THR CA C 25 65.709 65.808 -0.099 1
1 206 . 2 1 1 A 25 25 THR HA H 25 3.211 3.564 -0.353 1
1 207 . 2 1 1 A 25 25 THR CB C 25 67.811 68.103 -0.292 1
1 213 . 2 1 1 A 25 25 THR C C 25 176.919 176.356 0.563 1
1 214 . 2 1 1 A 26 26 THR N N 26 112.897 117.586 -4.689 1
1 215 . 2 1 1 A 26 26 THR H H 26 7.831 8.142 -0.311 1
1 216 . 2 1 1 A 26 26 THR CA C 26 65.080 65.290 -0.210 1
1 217 . 2 1 1 A 26 26 THR HA H 26 3.757 3.925 -0.168 1
1 218 . 2 1 1 A 26 26 THR CB C 26 68.011 69.042 -1.031 1
1 224 . 2 1 1 A 26 26 THR C C 26 176.443 177.017 -0.574 1
1 225 . 2 1 1 A 27 27 HIS N N 27 119.551 118.805 0.746 1
1 226 . 2 1 1 A 27 27 HIS H H 27 6.604 7.823 -1.219 1
1 227 . 2 1 1 A 27 27 HIS CA C 27 56.982 59.603 -2.621 1
1 228 . 2 1 1 A 27 27 HIS HA H 27 4.367 4.142 0.225 1
1 229 . 2 1 1 A 27 27 HIS CB C 27 31.824 29.941 1.883 1
1 236 . 2 1 1 A 27 27 HIS C C 27 178.059 177.417 0.642 1
1 237 . 2 1 1 A 28 28 LEU N N 28 121.872 119.898 1.974 1
1 238 . 2 1 1 A 28 28 LEU H H 28 6.995 7.961 -0.966 1
1 239 . 2 1 1 A 28 28 LEU CA C 28 57.919 57.495 0.424 1
1 240 . 2 1 1 A 28 28 LEU HA H 28 3.210 3.086 0.124 1
1 241 . 2 1 1 A 28 28 LEU CB C 28 40.630 41.634 -1.004 1
1 254 . 2 1 1 A 28 28 LEU C C 28 177.447 178.510 -1.063 1
1 255 . 2 1 1 A 29 29 ILE N N 29 119.734 120.148 -0.414 1
1 256 . 2 1 1 A 29 29 ILE H H 29 8.121 8.065 0.056 1
1 257 . 2 1 1 A 29 29 ILE CA C 29 64.592 65.394 -0.802 1
1 258 . 2 1 1 A 29 29 ILE HA H 29 3.681 3.536 0.145 1
1 259 . 2 1 1 A 29 29 ILE CB C 29 37.668 37.791 -0.123 1
1 272 . 2 1 1 A 29 29 ILE C C 29 179.288 178.314 0.974 1
1 273 . 2 1 1 A 30 30 GLN N N 30 117.944 118.277 -0.333 1
1 274 . 2 1 1 A 30 30 GLN H H 30 7.660 7.568 0.092 1
1 275 . 2 1 1 A 30 30 GLN CA C 30 58.702 58.863 -0.161 1
1 276 . 2 1 1 A 30 30 GLN HA H 30 3.893 3.946 -0.053 1
1 277 . 2 1 1 A 30 30 GLN CB C 30 28.308 28.490 -0.182 1
1 286 . 2 1 1 A 30 30 GLN C C 30 178.753 178.328 0.425 1
1 287 . 2 1 1 A 31 31 HIS N N 31 118.960 120.039 -1.079 1
1 288 . 2 1 1 A 31 31 HIS H H 31 7.639 7.857 -0.218 1
1 289 . 2 1 1 A 31 31 HIS CA C 31 58.828 60.149 -1.321 1
1 290 . 2 1 1 A 31 31 HIS HA H 31 4.183 4.111 0.072 1
1 291 . 2 1 1 A 31 31 HIS CB C 31 28.483 29.422 -0.939 1
1 298 . 2 1 1 A 31 31 HIS C C 31 175.999 177.300 -1.301 1
1 299 . 2 1 1 A 32 32 GLN N N 32 115.694 118.083 -2.389 1
1 300 . 2 1 1 A 32 32 GLN H H 32 8.201 8.452 -0.251 1
1 301 . 2 1 1 A 32 32 GLN CA C 32 59.179 58.304 0.875 1
1 302 . 2 1 1 A 32 32 GLN HA H 32 3.596 4.152 -0.556 1
1 303 . 2 1 1 A 32 32 GLN CB C 32 28.048 28.477 -0.429 1
1 312 . 2 1 1 A 32 32 GLN C C 32 177.337 177.990 -0.653 1
1 313 . 2 1 1 A 33 33 ARG N N 33 117.574 119.543 -1.969 1
1 314 . 2 1 1 A 33 33 ARG H H 33 7.079 8.119 -1.040 1
1 315 . 2 1 1 A 33 33 ARG CA C 33 58.431 58.627 -0.196 1
1 316 . 2 1 1 A 33 33 ARG HA H 33 4.090 4.057 0.033 1
1 317 . 2 1 1 A 33 33 ARG CB C 33 29.971 29.718 0.253 1
1 325 . 2 1 1 A 33 33 ARG C C 33 178.500 178.967 -0.467 1
1 326 . 2 1 1 A 34 34 VAL N N 34 116.091 116.762 -0.671 1
1 327 . 2 1 1 A 34 34 VAL H H 34 7.860 7.496 0.364 1
1 328 . 2 1 1 A 34 34 VAL CA C 34 63.986 65.168 -1.182 1
1 329 . 2 1 1 A 34 34 VAL HA H 34 3.853 3.805 0.048 1
1 330 . 2 1 1 A 34 34 VAL CB C 34 31.100 30.916 0.184 1
1 340 . 2 1 1 A 34 34 VAL C C 34 177.255 176.415 0.840 1
1 341 . 2 1 1 A 35 35 HIS N N 35 117.210 119.817 -2.607 1
1 342 . 2 1 1 A 35 35 HIS H H 35 7.164 7.451 -0.287 1
1 343 . 2 1 1 A 35 35 HIS CA C 35 55.166 58.103 -2.937 1
1 344 . 2 1 1 A 35 35 HIS HA H 35 4.811 4.510 0.301 1
1 345 . 2 1 1 A 35 35 HIS CB C 35 28.575 31.270 -2.695 1
1 352 . 2 1 1 A 35 35 HIS C C 35 175.753 176.127 -0.374 1
1 353 . 2 1 1 A 36 36 THR N N 36 111.834 114.089 -2.255 1
1 354 . 2 1 1 A 36 36 THR H H 36 7.736 7.379 0.357 1
1 355 . 2 1 1 A 36 36 THR CA C 36 62.474 64.323 -1.849 1
1 356 . 2 1 1 A 36 36 THR HA H 36 4.296 4.266 0.030 1
1 357 . 2 1 1 A 36 36 THR CB C 36 69.785 70.035 -0.250 1
1 363 . 2 1 1 A 36 36 THR C C 36 175.464 176.846 -1.382 1
1 364 . 2 1 1 A 37 37 GLY N N 37 110.633 108.050 2.583 1
1 365 . 2 1 1 A 37 37 GLY H H 37 8.203 8.240 -0.037 1
1 366 . 2 1 1 A 37 37 GLY CA C 37 45.294 46.927 -1.633 1
1 367 . 2 1 1 A 37 37 GLY HA2 H 37 3.963 3.930 0.033 1
1 368 . 2 1 1 A 37 37 GLY HA3 H 37 3.898 3.942 -0.044 1
1 369 . 2 1 1 A 37 37 GLY C C 37 174.023 174.275 -0.252 1
1 370 . 2 1 1 A 38 38 GLU N N 38 120.541 120.480 0.061 1
1 371 . 2 1 1 A 38 38 GLU H H 38 8.056 7.833 0.223 1
1 372 . 2 1 1 A 38 38 GLU CA C 38 56.376 55.135 1.241 1
1 373 . 2 1 1 A 38 38 GLU HA H 38 4.185 4.692 -0.507 1
1 374 . 2 1 1 A 38 38 GLU CB C 38 30.483 31.208 -0.725 1
1 380 . 2 1 1 A 38 38 GLU C C 38 176.222 175.468 0.754 1
1 381 . 2 1 1 A 39 39 LYS N N 39 123.877 127.327 -3.450 1
1 382 . 2 1 1 A 39 39 LYS H H 39 8.382 8.732 -0.350 1
1 383 . 2 1 1 A 39 39 LYS CA C 39 54.071 54.289 -0.218 1
1 384 . 2 1 1 A 39 39 LYS HA H 39 4.545 4.425 0.120 1
1 385 . 2 1 1 A 39 39 LYS CB C 39 32.423 31.907 0.516 1
1 396 . 2 1 1 A 39 39 LYS C C 39 174.477 176.555 -2.078 1
1 397 . 2 1 1 A 40 40 PRO CA C 40 63.142 64.245 -1.103 1
1 398 . 2 1 1 A 40 40 PRO HA H 40 4.399 4.430 -0.031 1
1 399 . 2 1 1 A 40 40 PRO CB C 40 32.100 31.830 0.270 1
1 408 . 2 1 1 A 40 40 PRO C C 40 176.965 175.603 1.362 1
1 409 . 2 1 1 A 41 41 SER N N 41 116.545 109.750 6.795 1
1 410 . 2 1 1 A 41 41 SER H H 41 8.456 7.582 0.874 1
1 411 . 2 1 1 A 41 41 SER CA C 41 58.303 56.632 1.671 1
1 412 . 2 1 1 A 41 41 SER HA H 41 4.418 4.783 -0.365 1
1 413 . 2 1 1 A 41 41 SER CB C 41 64.033 66.400 -2.367 1
1 416 . 2 1 1 A 41 41 SER C C 41 174.604 173.680 0.924 1
1 417 . 2 1 1 A 42 42 GLY CA C 42 44.595 46.665 -2.070 1
1 418 . 2 1 1 A 42 42 GLY HA2 H 42 4.043 4.362 -0.319 1
1 419 . 2 1 1 A 42 42 GLY HA3 H 42 4.102 4.362 -0.260 1
1 420 . 2 1 1 A 43 43 PRO CA C 43 63.183 64.872 -1.689 1
1 421 . 2 1 1 A 43 43 PRO HA H 43 4.409 4.387 0.022 1
1 422 . 2 1 1 A 43 43 PRO CB C 43 32.160 32.102 0.058 1
1 431 . 2 1 1 A 45 45 SER CA C 45 58.358 58.807 -0.449 1
1 432 . 2 1 1 A 45 45 SER HA H 45 4.458 4.239 0.219 1
1 433 . 2 1 1 A 45 45 SER CB C 45 64.035 63.993 0.042 1
1 435 . 2 1 1 A 45 45 SER C C 45 173.906 175.486 -1.580 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.360 45.319 0.041 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 3.977 4.062 -0.085 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 3.977 4.063 -0.086 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.507 172.463 2.044 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.829 119.881 -7.052 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.115 8.933 -0.818 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.759 60.983 0.776 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.312 4.852 -0.540 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.817 72.605 -2.788 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.249 173.914 1.335 1
1 16 . 3 1 1 A 9 9 GLY N N 9 110.896 111.557 -0.661 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.416 8.558 -0.142 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.299 45.810 -0.511 1
1 19 . 3 1 1 A 9 9 GLY HA2 H 9 3.900 3.996 -0.096 1
1 20 . 3 1 1 A 9 9 GLY HA3 H 9 3.900 3.998 -0.098 1
1 21 . 3 1 1 A 9 9 GLY C C 9 174.082 174.872 -0.790 1
1 22 . 3 1 1 A 10 10 GLU N N 10 120.023 123.863 -3.840 1
1 23 . 3 1 1 A 10 10 GLU H H 10 8.184 8.849 -0.665 1
1 24 . 3 1 1 A 10 10 GLU CA C 10 56.936 56.599 0.337 1
1 25 . 3 1 1 A 10 10 GLU HA H 10 4.102 4.390 -0.288 1
1 26 . 3 1 1 A 10 10 GLU CB C 10 30.327 30.093 0.234 1
1 32 . 3 1 1 A 10 10 GLU C C 10 176.503 176.847 -0.344 1
1 33 . 3 1 1 A 11 11 LYS N N 11 121.280 120.973 0.307 1
1 34 . 3 1 1 A 11 11 LYS H H 11 8.281 7.309 0.972 1
1 35 . 3 1 1 A 11 11 LYS CA C 11 53.669 53.564 0.105 1
1 36 . 3 1 1 A 11 11 LYS HA H 11 4.388 4.486 -0.098 1
1 37 . 3 1 1 A 11 11 LYS CB C 11 33.080 31.707 1.373 1
1 49 . 3 1 1 A 11 11 LYS C C 11 173.641 176.384 -2.743 1
1 50 . 3 1 1 A 12 12 PRO CA C 12 63.359 63.655 -0.296 1
1 51 . 3 1 1 A 12 12 PRO HA H 12 4.181 4.266 -0.085 1
1 52 . 3 1 1 A 12 12 PRO CB C 12 32.233 31.109 1.124 1
1 61 . 3 1 1 A 12 12 PRO C C 12 176.415 175.463 0.952 1
1 62 . 3 1 1 A 13 13 TYR N N 13 118.435 118.982 -0.547 1
1 63 . 3 1 1 A 13 13 TYR H H 13 7.798 7.432 0.366 1
1 64 . 3 1 1 A 13 13 TYR CA C 13 57.003 56.468 0.535 1
1 65 . 3 1 1 A 13 13 TYR HA H 13 4.666 5.357 -0.691 1
1 66 . 3 1 1 A 13 13 TYR CB C 13 38.081 43.139 -5.058 1
1 77 . 3 1 1 A 13 13 TYR C C 13 174.560 174.482 0.078 1
1 78 . 3 1 1 A 14 14 GLU N N 14 124.052 123.055 0.997 1
1 79 . 3 1 1 A 14 14 GLU H H 14 8.452 8.873 -0.421 1
1 80 . 3 1 1 A 14 14 GLU CA C 14 55.017 55.982 -0.965 1
1 81 . 3 1 1 A 14 14 GLU HA H 14 4.842 5.006 -0.164 1
1 82 . 3 1 1 A 14 14 GLU CB C 14 32.845 34.224 -1.379 1
1 88 . 3 1 1 A 14 14 GLU C C 14 175.274 174.595 0.679 1
1 89 . 3 1 1 A 15 15 CYS N N 15 126.436 123.963 2.473 1
1 90 . 3 1 1 A 15 15 CYS H H 15 9.246 9.006 0.240 1
1 91 . 3 1 1 A 15 15 CYS CA C 15 59.316 59.246 0.070 1
1 92 . 3 1 1 A 15 15 CYS HA H 15 4.516 4.675 -0.159 1
1 93 . 3 1 1 A 15 15 CYS CB C 15 29.534 28.348 1.186 1
1 96 . 3 1 1 A 15 15 CYS C C 15 177.358 175.598 1.760 1
1 97 . 3 1 1 A 16 16 LYS N N 16 117.311 128.241 -10.930 1
1 98 . 3 1 1 A 16 16 LYS H H 16 9.330 9.070 0.260 1
1 99 . 3 1 1 A 16 16 LYS CA C 16 58.072 56.339 1.733 1
1 100 . 3 1 1 A 16 16 LYS HA H 16 4.136 4.461 -0.325 1
1 101 . 3 1 1 A 16 16 LYS CB C 16 31.984 32.725 -0.741 1
1 113 . 3 1 1 A 16 16 LYS C C 16 177.050 177.032 0.018 1
1 114 . 3 1 1 A 17 17 GLU N N 17 119.733 117.939 1.794 1
1 115 . 3 1 1 A 17 17 GLU H H 17 8.535 7.990 0.545 1
1 116 . 3 1 1 A 17 17 GLU CA C 17 58.258 56.899 1.359 1
1 117 . 3 1 1 A 17 17 GLU HA H 17 4.129 4.510 -0.381 1
1 118 . 3 1 1 A 17 17 GLU CB C 17 29.273 32.108 -2.835 1
1 124 . 3 1 1 A 17 17 GLU C C 17 177.315 177.728 -0.413 1
1 125 . 3 1 1 A 18 18 CYS N N 18 129.046 115.133 13.913 1
1 126 . 3 1 1 A 18 18 CYS H H 18 7.834 8.075 -0.241 1
1 127 . 3 1 1 A 18 18 CYS CA C 18 58.321 59.455 -1.134 1
1 128 . 3 1 1 A 18 18 CYS HA H 18 5.122 4.748 0.374 1
1 129 . 3 1 1 A 18 18 CYS CB C 18 32.639 30.439 2.200 1
1 132 . 3 1 1 A 18 18 CYS C C 18 176.226 175.764 0.462 1
1 133 . 3 1 1 A 19 19 GLY N N 19 113.826 110.075 3.751 1
1 134 . 3 1 1 A 19 19 GLY H H 19 8.242 8.565 -0.323 1
1 135 . 3 1 1 A 19 19 GLY CA C 19 46.088 46.194 -0.106 1
1 136 . 3 1 1 A 19 19 GLY HA2 H 19 4.179 4.009 0.170 1
1 137 . 3 1 1 A 19 19 GLY HA3 H 19 3.816 4.014 -0.198 1
1 138 . 3 1 1 A 19 19 GLY C C 19 173.827 173.871 -0.044 1
1 139 . 3 1 1 A 20 20 LYS N N 20 122.964 120.171 2.793 1
1 140 . 3 1 1 A 20 20 LYS H H 20 7.922 7.647 0.275 1
1 141 . 3 1 1 A 20 20 LYS CA C 20 58.100 54.907 3.193 1
1 142 . 3 1 1 A 20 20 LYS HA H 20 3.891 4.802 -0.911 1
1 143 . 3 1 1 A 20 20 LYS CB C 20 33.635 35.138 -1.503 1
1 155 . 3 1 1 A 20 20 LYS C C 20 173.610 174.459 -0.849 1
1 156 . 3 1 1 A 21 21 ALA N N 21 123.854 129.188 -5.334 1
1 157 . 3 1 1 A 21 21 ALA H H 21 7.723 8.757 -1.034 1
1 158 . 3 1 1 A 21 21 ALA CA C 21 50.412 50.362 0.050 1
1 159 . 3 1 1 A 21 21 ALA HA H 21 5.067 5.492 -0.425 1
1 160 . 3 1 1 A 21 21 ALA CB C 21 22.154 21.377 0.777 1
1 164 . 3 1 1 A 21 21 ALA C C 21 176.234 176.318 -0.084 1
1 165 . 3 1 1 A 22 22 PHE N N 22 116.521 119.221 -2.700 1
1 166 . 3 1 1 A 22 22 PHE H H 22 8.639 8.470 0.169 1
1 167 . 3 1 1 A 22 22 PHE CA C 22 57.304 56.679 0.625 1
1 168 . 3 1 1 A 22 22 PHE HA H 22 4.745 4.912 -0.167 1
1 169 . 3 1 1 A 22 22 PHE CB C 22 44.191 41.816 2.375 1
1 182 . 3 1 1 A 22 22 PHE C C 22 175.366 176.080 -0.714 1
1 183 . 3 1 1 A 23 23 SER N N 23 115.521 118.997 -3.476 1
1 184 . 3 1 1 A 23 23 SER H H 23 9.661 8.807 0.854 1
1 185 . 3 1 1 A 23 23 SER CA C 23 59.967 61.387 -1.420 1
1 186 . 3 1 1 A 23 23 SER HA H 23 4.679 4.277 0.402 1
1 187 . 3 1 1 A 23 23 SER CB C 23 64.445 62.833 1.612 1
1 190 . 3 1 1 A 23 23 SER C C 23 174.027 174.938 -0.911 1
1 191 . 3 1 1 A 24 24 GLN N N 24 115.852 120.113 -4.261 1
1 192 . 3 1 1 A 24 24 GLN H H 24 7.218 7.955 -0.737 1
1 193 . 3 1 1 A 24 24 GLN CA C 24 53.982 54.288 -0.306 1
1 194 . 3 1 1 A 24 24 GLN HA H 24 4.834 4.691 0.143 1
1 195 . 3 1 1 A 24 24 GLN CB C 24 32.152 31.354 0.798 1
1 204 . 3 1 1 A 24 24 GLN C C 24 176.620 176.222 0.398 1
1 205 . 3 1 1 A 25 25 THR CA C 25 65.709 66.391 -0.682 1
1 206 . 3 1 1 A 25 25 THR HA H 25 3.211 3.331 -0.120 1
1 207 . 3 1 1 A 25 25 THR CB C 25 67.811 68.325 -0.514 1
1 213 . 3 1 1 A 25 25 THR C C 25 176.919 176.045 0.874 1
1 214 . 3 1 1 A 26 26 THR N N 26 112.897 114.170 -1.273 1
1 215 . 3 1 1 A 26 26 THR H H 26 7.831 8.148 -0.317 1
1 216 . 3 1 1 A 26 26 THR CA C 26 65.080 65.480 -0.400 1
1 217 . 3 1 1 A 26 26 THR HA H 26 3.757 3.929 -0.172 1
1 218 . 3 1 1 A 26 26 THR CB C 26 68.011 68.769 -0.758 1
1 224 . 3 1 1 A 26 26 THR C C 26 176.443 176.736 -0.293 1
1 225 . 3 1 1 A 27 27 HIS N N 27 119.551 119.222 0.329 1
1 226 . 3 1 1 A 27 27 HIS H H 27 6.604 8.202 -1.598 1
1 227 . 3 1 1 A 27 27 HIS CA C 27 56.982 58.859 -1.877 1
1 228 . 3 1 1 A 27 27 HIS HA H 27 4.367 4.198 0.169 1
1 229 . 3 1 1 A 27 27 HIS CB C 27 31.824 30.061 1.763 1
1 236 . 3 1 1 A 27 27 HIS C C 27 178.059 177.218 0.841 1
1 237 . 3 1 1 A 28 28 LEU N N 28 121.872 119.911 1.961 1
1 238 . 3 1 1 A 28 28 LEU H H 28 6.995 7.748 -0.753 1
1 239 . 3 1 1 A 28 28 LEU CA C 28 57.919 57.702 0.217 1
1 240 . 3 1 1 A 28 28 LEU HA H 28 3.210 2.622 0.588 1
1 241 . 3 1 1 A 28 28 LEU CB C 28 40.630 41.827 -1.197 1
1 254 . 3 1 1 A 28 28 LEU C C 28 177.447 178.431 -0.984 1
1 255 . 3 1 1 A 29 29 ILE N N 29 119.734 119.946 -0.212 1
1 256 . 3 1 1 A 29 29 ILE H H 29 8.121 7.882 0.239 1
1 257 . 3 1 1 A 29 29 ILE CA C 29 64.592 65.204 -0.612 1
1 258 . 3 1 1 A 29 29 ILE HA H 29 3.681 3.563 0.118 1
1 259 . 3 1 1 A 29 29 ILE CB C 29 37.668 37.687 -0.019 1
1 272 . 3 1 1 A 29 29 ILE C C 29 179.288 178.260 1.028 1
1 273 . 3 1 1 A 30 30 GLN N N 30 117.944 118.434 -0.490 1
1 274 . 3 1 1 A 30 30 GLN H H 30 7.660 7.642 0.018 1
1 275 . 3 1 1 A 30 30 GLN CA C 30 58.702 58.771 -0.069 1
1 276 . 3 1 1 A 30 30 GLN HA H 30 3.893 3.908 -0.015 1
1 277 . 3 1 1 A 30 30 GLN CB C 30 28.308 28.262 0.046 1
1 286 . 3 1 1 A 30 30 GLN C C 30 178.753 178.548 0.205 1
1 287 . 3 1 1 A 31 31 HIS N N 31 118.960 120.028 -1.068 1
1 288 . 3 1 1 A 31 31 HIS H H 31 7.639 7.738 -0.099 1
1 289 . 3 1 1 A 31 31 HIS CA C 31 58.828 60.056 -1.228 1
1 290 . 3 1 1 A 31 31 HIS HA H 31 4.183 4.077 0.106 1
1 291 . 3 1 1 A 31 31 HIS CB C 31 28.483 29.830 -1.347 1
1 298 . 3 1 1 A 31 31 HIS C C 31 175.999 176.931 -0.932 1
1 299 . 3 1 1 A 32 32 GLN N N 32 115.694 117.790 -2.096 1
1 300 . 3 1 1 A 32 32 GLN H H 32 8.201 7.851 0.350 1
1 301 . 3 1 1 A 32 32 GLN CA C 32 59.179 58.926 0.253 1
1 302 . 3 1 1 A 32 32 GLN HA H 32 3.596 3.853 -0.257 1
1 303 . 3 1 1 A 32 32 GLN CB C 32 28.048 28.322 -0.274 1
1 312 . 3 1 1 A 32 32 GLN C C 32 177.337 178.632 -1.295 1
1 313 . 3 1 1 A 33 33 ARG N N 33 117.574 120.116 -2.542 1
1 314 . 3 1 1 A 33 33 ARG H H 33 7.079 8.292 -1.213 1
1 315 . 3 1 1 A 33 33 ARG CA C 33 58.431 59.154 -0.723 1
1 316 . 3 1 1 A 33 33 ARG HA H 33 4.090 4.062 0.028 1
1 317 . 3 1 1 A 33 33 ARG CB C 33 29.971 29.714 0.257 1
1 325 . 3 1 1 A 33 33 ARG C C 33 178.500 179.112 -0.612 1
1 326 . 3 1 1 A 34 34 VAL N N 34 116.091 116.398 -0.307 1
1 327 . 3 1 1 A 34 34 VAL H H 34 7.860 7.625 0.235 1
1 328 . 3 1 1 A 34 34 VAL CA C 34 63.986 64.910 -0.924 1
1 329 . 3 1 1 A 34 34 VAL HA H 34 3.853 3.722 0.131 1
1 330 . 3 1 1 A 34 34 VAL CB C 34 31.100 31.161 -0.061 1
1 340 . 3 1 1 A 34 34 VAL C C 34 177.255 176.448 0.807 1
1 341 . 3 1 1 A 35 35 HIS N N 35 117.210 119.461 -2.251 1
1 342 . 3 1 1 A 35 35 HIS H H 35 7.164 7.509 -0.345 1
1 343 . 3 1 1 A 35 35 HIS CA C 35 55.166 57.860 -2.694 1
1 344 . 3 1 1 A 35 35 HIS HA H 35 4.811 4.462 0.349 1
1 345 . 3 1 1 A 35 35 HIS CB C 35 28.575 31.011 -2.436 1
1 352 . 3 1 1 A 35 35 HIS C C 35 175.753 175.283 0.470 1
1 353 . 3 1 1 A 36 36 THR N N 36 111.834 113.416 -1.582 1
1 354 . 3 1 1 A 36 36 THR H H 36 7.736 8.011 -0.275 1
1 355 . 3 1 1 A 36 36 THR CA C 36 62.474 61.123 1.351 1
1 356 . 3 1 1 A 36 36 THR HA H 36 4.296 4.503 -0.207 1
1 357 . 3 1 1 A 36 36 THR CB C 36 69.785 69.777 0.008 1
1 363 . 3 1 1 A 36 36 THR C C 36 175.464 175.543 -0.079 1
1 364 . 3 1 1 A 37 37 GLY N N 37 110.633 110.498 0.135 1
1 365 . 3 1 1 A 37 37 GLY H H 37 8.203 7.919 0.284 1
1 366 . 3 1 1 A 37 37 GLY CA C 37 45.294 45.670 -0.376 1
1 367 . 3 1 1 A 37 37 GLY HA2 H 37 3.963 4.052 -0.089 1
1 368 . 3 1 1 A 37 37 GLY HA3 H 37 3.898 4.060 -0.162 1
1 369 . 3 1 1 A 37 37 GLY C C 37 174.023 173.543 0.480 1
1 370 . 3 1 1 A 38 38 GLU N N 38 120.541 120.009 0.532 1
1 371 . 3 1 1 A 38 38 GLU H H 38 8.056 7.563 0.493 1
1 372 . 3 1 1 A 38 38 GLU CA C 38 56.376 54.711 1.665 1
1 373 . 3 1 1 A 38 38 GLU HA H 38 4.185 4.988 -0.803 1
1 374 . 3 1 1 A 38 38 GLU CB C 38 30.483 33.487 -3.004 1
1 380 . 3 1 1 A 38 38 GLU C C 38 176.222 174.918 1.304 1
1 381 . 3 1 1 A 39 39 LYS N N 39 123.877 124.564 -0.687 1
1 382 . 3 1 1 A 39 39 LYS H H 39 8.382 8.499 -0.117 1
1 383 . 3 1 1 A 39 39 LYS CA C 39 54.071 55.313 -1.242 1
1 384 . 3 1 1 A 39 39 LYS HA H 39 4.545 4.251 0.294 1
1 385 . 3 1 1 A 39 39 LYS CB C 39 32.423 32.265 0.158 1
1 396 . 3 1 1 A 39 39 LYS C C 39 174.477 176.955 -2.478 1
1 397 . 3 1 1 A 40 40 PRO CA C 40 63.142 65.150 -2.008 1
1 398 . 3 1 1 A 40 40 PRO HA H 40 4.399 4.320 0.079 1
1 399 . 3 1 1 A 40 40 PRO CB C 40 32.100 31.838 0.262 1
1 408 . 3 1 1 A 40 40 PRO C C 40 176.965 177.991 -1.026 1
1 409 . 3 1 1 A 41 41 SER N N 41 116.545 111.712 4.833 1
1 410 . 3 1 1 A 41 41 SER H H 41 8.456 8.116 0.340 1
1 411 . 3 1 1 A 41 41 SER CA C 41 58.303 58.960 -0.657 1
1 412 . 3 1 1 A 41 41 SER HA H 41 4.418 4.177 0.241 1
1 413 . 3 1 1 A 41 41 SER CB C 41 64.033 61.032 3.001 1
1 416 . 3 1 1 A 41 41 SER C C 41 174.604 173.629 0.975 1
1 417 . 3 1 1 A 42 42 GLY CA C 42 44.595 45.269 -0.674 1
1 418 . 3 1 1 A 42 42 GLY HA2 H 42 4.043 4.087 -0.044 1
1 419 . 3 1 1 A 42 42 GLY HA3 H 42 4.102 4.088 0.014 1
1 420 . 3 1 1 A 43 43 PRO CA C 43 63.183 64.786 -1.603 1
1 421 . 3 1 1 A 43 43 PRO HA H 43 4.409 4.427 -0.018 1
1 422 . 3 1 1 A 43 43 PRO CB C 43 32.160 32.145 0.015 1
1 431 . 3 1 1 A 45 45 SER CA C 45 58.358 57.373 0.985 1
1 432 . 3 1 1 A 45 45 SER HA H 45 4.458 5.076 -0.618 1
1 433 . 3 1 1 A 45 45 SER CB C 45 64.035 67.575 -3.540 1
1 435 . 3 1 1 A 45 45 SER C C 45 173.906 173.242 0.664 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.360 45.241 0.119 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 3.977 4.051 -0.074 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 3.977 4.052 -0.075 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.507 171.847 2.660 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.829 115.057 -2.228 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.115 8.366 -0.251 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.759 60.698 1.061 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.312 4.868 -0.556 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.817 71.414 -1.597 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.249 174.932 0.317 1
1 16 . 4 1 1 A 9 9 GLY N N 9 110.896 114.578 -3.682 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.416 8.707 -0.291 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.299 46.395 -1.096 1
1 19 . 4 1 1 A 9 9 GLY HA2 H 9 3.900 4.009 -0.109 1
1 20 . 4 1 1 A 9 9 GLY HA3 H 9 3.900 4.012 -0.112 1
1 21 . 4 1 1 A 9 9 GLY C C 9 174.082 174.248 -0.166 1
1 22 . 4 1 1 A 10 10 GLU N N 10 120.023 121.423 -1.400 1
1 23 . 4 1 1 A 10 10 GLU H H 10 8.184 8.271 -0.087 1
1 24 . 4 1 1 A 10 10 GLU CA C 10 56.936 54.757 2.179 1
1 25 . 4 1 1 A 10 10 GLU HA H 10 4.102 4.733 -0.631 1
1 26 . 4 1 1 A 10 10 GLU CB C 10 30.327 32.080 -1.753 1
1 32 . 4 1 1 A 10 10 GLU C C 10 176.503 175.697 0.806 1
1 33 . 4 1 1 A 11 11 LYS N N 11 121.280 120.843 0.437 1
1 34 . 4 1 1 A 11 11 LYS H H 11 8.281 8.614 -0.333 1
1 35 . 4 1 1 A 11 11 LYS CA C 11 53.669 53.836 -0.167 1
1 36 . 4 1 1 A 11 11 LYS HA H 11 4.388 4.582 -0.194 1
1 37 . 4 1 1 A 11 11 LYS CB C 11 33.080 31.901 1.179 1
1 49 . 4 1 1 A 11 11 LYS C C 11 173.641 176.252 -2.611 1
1 50 . 4 1 1 A 12 12 PRO CA C 12 63.359 63.907 -0.548 1
1 51 . 4 1 1 A 12 12 PRO HA H 12 4.181 4.312 -0.131 1
1 52 . 4 1 1 A 12 12 PRO CB C 12 32.233 31.151 1.082 1
1 61 . 4 1 1 A 12 12 PRO C C 12 176.415 175.554 0.861 1
1 62 . 4 1 1 A 13 13 TYR N N 13 118.435 118.449 -0.014 1
1 63 . 4 1 1 A 13 13 TYR H H 13 7.798 7.419 0.379 1
1 64 . 4 1 1 A 13 13 TYR CA C 13 57.003 56.842 0.161 1
1 65 . 4 1 1 A 13 13 TYR HA H 13 4.666 5.389 -0.723 1
1 66 . 4 1 1 A 13 13 TYR CB C 13 38.081 41.787 -3.706 1
1 77 . 4 1 1 A 13 13 TYR C C 13 174.560 174.233 0.327 1
1 78 . 4 1 1 A 14 14 GLU N N 14 124.052 124.205 -0.153 1
1 79 . 4 1 1 A 14 14 GLU H H 14 8.452 9.001 -0.549 1
1 80 . 4 1 1 A 14 14 GLU CA C 14 55.017 55.148 -0.131 1
1 81 . 4 1 1 A 14 14 GLU HA H 14 4.842 5.169 -0.327 1
1 82 . 4 1 1 A 14 14 GLU CB C 14 32.845 34.099 -1.254 1
1 88 . 4 1 1 A 14 14 GLU C C 14 175.274 174.893 0.381 1
1 89 . 4 1 1 A 15 15 CYS N N 15 126.436 123.851 2.585 1
1 90 . 4 1 1 A 15 15 CYS H H 15 9.246 9.278 -0.032 1
1 91 . 4 1 1 A 15 15 CYS CA C 15 59.316 59.176 0.140 1
1 92 . 4 1 1 A 15 15 CYS HA H 15 4.516 4.676 -0.160 1
1 93 . 4 1 1 A 15 15 CYS CB C 15 29.534 28.547 0.987 1
1 96 . 4 1 1 A 15 15 CYS C C 15 177.358 175.586 1.772 1
1 97 . 4 1 1 A 16 16 LYS N N 16 117.311 128.233 -10.922 1
1 98 . 4 1 1 A 16 16 LYS H H 16 9.330 9.017 0.313 1
1 99 . 4 1 1 A 16 16 LYS CA C 16 58.072 56.244 1.828 1
1 100 . 4 1 1 A 16 16 LYS HA H 16 4.136 4.480 -0.344 1
1 101 . 4 1 1 A 16 16 LYS CB C 16 31.984 32.319 -0.335 1
1 113 . 4 1 1 A 16 16 LYS C C 16 177.050 176.806 0.244 1
1 114 . 4 1 1 A 17 17 GLU N N 17 119.733 117.547 2.186 1
1 115 . 4 1 1 A 17 17 GLU H H 17 8.535 7.847 0.688 1
1 116 . 4 1 1 A 17 17 GLU CA C 17 58.258 56.773 1.485 1
1 117 . 4 1 1 A 17 17 GLU HA H 17 4.129 4.403 -0.274 1
1 118 . 4 1 1 A 17 17 GLU CB C 17 29.273 31.266 -1.993 1
1 124 . 4 1 1 A 17 17 GLU C C 17 177.315 177.697 -0.382 1
1 125 . 4 1 1 A 18 18 CYS N N 18 129.046 115.036 14.010 1
1 126 . 4 1 1 A 18 18 CYS H H 18 7.834 7.957 -0.123 1
1 127 . 4 1 1 A 18 18 CYS CA C 18 58.321 59.373 -1.052 1
1 128 . 4 1 1 A 18 18 CYS HA H 18 5.122 4.715 0.407 1
1 129 . 4 1 1 A 18 18 CYS CB C 18 32.639 30.440 2.199 1
1 132 . 4 1 1 A 18 18 CYS C C 18 176.226 175.703 0.523 1
1 133 . 4 1 1 A 19 19 GLY N N 19 113.826 110.086 3.740 1
1 134 . 4 1 1 A 19 19 GLY H H 19 8.242 8.603 -0.361 1
1 135 . 4 1 1 A 19 19 GLY CA C 19 46.088 46.227 -0.139 1
1 136 . 4 1 1 A 19 19 GLY HA2 H 19 4.179 4.010 0.169 1
1 137 . 4 1 1 A 19 19 GLY HA3 H 19 3.816 4.023 -0.207 1
1 138 . 4 1 1 A 19 19 GLY C C 19 173.827 173.910 -0.083 1
1 139 . 4 1 1 A 20 20 LYS N N 20 122.964 119.969 2.995 1
1 140 . 4 1 1 A 20 20 LYS H H 20 7.922 7.681 0.241 1
1 141 . 4 1 1 A 20 20 LYS CA C 20 58.100 54.947 3.153 1
1 142 . 4 1 1 A 20 20 LYS HA H 20 3.891 4.849 -0.958 1
1 143 . 4 1 1 A 20 20 LYS CB C 20 33.635 35.524 -1.889 1
1 155 . 4 1 1 A 20 20 LYS C C 20 173.610 174.452 -0.842 1
1 156 . 4 1 1 A 21 21 ALA N N 21 123.854 128.961 -5.107 1
1 157 . 4 1 1 A 21 21 ALA H H 21 7.723 8.790 -1.067 1
1 158 . 4 1 1 A 21 21 ALA CA C 21 50.412 50.327 0.085 1
1 159 . 4 1 1 A 21 21 ALA HA H 21 5.067 5.705 -0.638 1
1 160 . 4 1 1 A 21 21 ALA CB C 21 22.154 21.538 0.616 1
1 164 . 4 1 1 A 21 21 ALA C C 21 176.234 176.421 -0.187 1
1 165 . 4 1 1 A 22 22 PHE N N 22 116.521 118.508 -1.987 1
1 166 . 4 1 1 A 22 22 PHE H H 22 8.639 8.724 -0.085 1
1 167 . 4 1 1 A 22 22 PHE CA C 22 57.304 56.523 0.781 1
1 168 . 4 1 1 A 22 22 PHE HA H 22 4.745 4.862 -0.117 1
1 169 . 4 1 1 A 22 22 PHE CB C 22 44.191 42.460 1.731 1
1 182 . 4 1 1 A 22 22 PHE C C 22 175.366 175.993 -0.627 1
1 183 . 4 1 1 A 23 23 SER N N 23 115.521 118.386 -2.865 1
1 184 . 4 1 1 A 23 23 SER H H 23 9.661 8.967 0.694 1
1 185 . 4 1 1 A 23 23 SER CA C 23 59.967 61.612 -1.645 1
1 186 . 4 1 1 A 23 23 SER HA H 23 4.679 4.434 0.245 1
1 187 . 4 1 1 A 23 23 SER CB C 23 64.445 63.303 1.142 1
1 190 . 4 1 1 A 23 23 SER C C 23 174.027 173.981 0.046 1
1 191 . 4 1 1 A 24 24 GLN N N 24 115.852 118.017 -2.165 1
1 192 . 4 1 1 A 24 24 GLN H H 24 7.218 8.095 -0.877 1
1 193 . 4 1 1 A 24 24 GLN CA C 24 53.982 54.417 -0.435 1
1 194 . 4 1 1 A 24 24 GLN HA H 24 4.834 4.804 0.030 1
1 195 . 4 1 1 A 24 24 GLN CB C 24 32.152 31.137 1.015 1
1 204 . 4 1 1 A 24 24 GLN C C 24 176.620 175.885 0.735 1
1 205 . 4 1 1 A 25 25 THR CA C 25 65.709 65.486 0.223 1
1 206 . 4 1 1 A 25 25 THR HA H 25 3.211 3.258 -0.047 1
1 207 . 4 1 1 A 25 25 THR CB C 25 67.811 68.306 -0.495 1
1 213 . 4 1 1 A 25 25 THR C C 25 176.919 175.700 1.219 1
1 214 . 4 1 1 A 26 26 THR N N 26 112.897 115.468 -2.571 1
1 215 . 4 1 1 A 26 26 THR H H 26 7.831 8.037 -0.206 1
1 216 . 4 1 1 A 26 26 THR CA C 26 65.080 65.216 -0.136 1
1 217 . 4 1 1 A 26 26 THR HA H 26 3.757 3.920 -0.163 1
1 218 . 4 1 1 A 26 26 THR CB C 26 68.011 68.742 -0.731 1
1 224 . 4 1 1 A 26 26 THR C C 26 176.443 176.144 0.299 1
1 225 . 4 1 1 A 27 27 HIS N N 27 119.551 121.129 -1.578 1
1 226 . 4 1 1 A 27 27 HIS H H 27 6.604 7.706 -1.102 1
1 227 . 4 1 1 A 27 27 HIS CA C 27 56.982 59.942 -2.960 1
1 228 . 4 1 1 A 27 27 HIS HA H 27 4.367 4.257 0.110 1
1 229 . 4 1 1 A 27 27 HIS CB C 27 31.824 29.861 1.963 1
1 236 . 4 1 1 A 27 27 HIS C C 27 178.059 176.627 1.432 1
1 237 . 4 1 1 A 28 28 LEU N N 28 121.872 119.746 2.126 1
1 238 . 4 1 1 A 28 28 LEU H H 28 6.995 7.299 -0.304 1
1 239 . 4 1 1 A 28 28 LEU CA C 28 57.919 57.172 0.747 1
1 240 . 4 1 1 A 28 28 LEU HA H 28 3.210 2.760 0.450 1
1 241 . 4 1 1 A 28 28 LEU CB C 28 40.630 41.093 -0.463 1
1 254 . 4 1 1 A 28 28 LEU C C 28 177.447 178.623 -1.176 1
1 255 . 4 1 1 A 29 29 ILE N N 29 119.734 118.914 0.820 1
1 256 . 4 1 1 A 29 29 ILE H H 29 8.121 7.625 0.496 1
1 257 . 4 1 1 A 29 29 ILE CA C 29 64.592 64.494 0.098 1
1 258 . 4 1 1 A 29 29 ILE HA H 29 3.681 3.554 0.127 1
1 259 . 4 1 1 A 29 29 ILE CB C 29 37.668 37.160 0.508 1
1 272 . 4 1 1 A 29 29 ILE C C 29 179.288 178.469 0.819 1
1 273 . 4 1 1 A 30 30 GLN N N 30 117.944 118.471 -0.527 1
1 274 . 4 1 1 A 30 30 GLN H H 30 7.660 7.700 -0.040 1
1 275 . 4 1 1 A 30 30 GLN CA C 30 58.702 58.711 -0.009 1
1 276 . 4 1 1 A 30 30 GLN HA H 30 3.893 4.037 -0.144 1
1 277 . 4 1 1 A 30 30 GLN CB C 30 28.308 28.637 -0.329 1
1 286 . 4 1 1 A 30 30 GLN C C 30 178.753 178.282 0.471 1
1 287 . 4 1 1 A 31 31 HIS N N 31 118.960 120.756 -1.796 1
1 288 . 4 1 1 A 31 31 HIS H H 31 7.639 8.047 -0.408 1
1 289 . 4 1 1 A 31 31 HIS CA C 31 58.828 59.702 -0.874 1
1 290 . 4 1 1 A 31 31 HIS HA H 31 4.183 4.172 0.011 1
1 291 . 4 1 1 A 31 31 HIS CB C 31 28.483 29.915 -1.432 1
1 298 . 4 1 1 A 31 31 HIS C C 31 175.999 177.330 -1.331 1
1 299 . 4 1 1 A 32 32 GLN N N 32 115.694 118.349 -2.655 1
1 300 . 4 1 1 A 32 32 GLN H H 32 8.201 7.847 0.354 1
1 301 . 4 1 1 A 32 32 GLN CA C 32 59.179 58.357 0.822 1
1 302 . 4 1 1 A 32 32 GLN HA H 32 3.596 4.072 -0.476 1
1 303 . 4 1 1 A 32 32 GLN CB C 32 28.048 28.518 -0.470 1
1 312 . 4 1 1 A 32 32 GLN C C 32 177.337 178.513 -1.176 1
1 313 . 4 1 1 A 33 33 ARG N N 33 117.574 119.621 -2.047 1
1 314 . 4 1 1 A 33 33 ARG H H 33 7.079 7.735 -0.656 1
1 315 . 4 1 1 A 33 33 ARG CA C 33 58.431 58.542 -0.111 1
1 316 . 4 1 1 A 33 33 ARG HA H 33 4.090 4.016 0.074 1
1 317 . 4 1 1 A 33 33 ARG CB C 33 29.971 29.907 0.064 1
1 325 . 4 1 1 A 33 33 ARG C C 33 178.500 178.629 -0.129 1
1 326 . 4 1 1 A 34 34 VAL N N 34 116.091 117.163 -1.072 1
1 327 . 4 1 1 A 34 34 VAL H H 34 7.860 7.218 0.642 1
1 328 . 4 1 1 A 34 34 VAL CA C 34 63.986 64.256 -0.270 1
1 329 . 4 1 1 A 34 34 VAL HA H 34 3.853 3.942 -0.089 1
1 330 . 4 1 1 A 34 34 VAL CB C 34 31.100 31.278 -0.178 1
1 340 . 4 1 1 A 34 34 VAL C C 34 177.255 176.400 0.855 1
1 341 . 4 1 1 A 35 35 HIS N N 35 117.210 119.682 -2.472 1
1 342 . 4 1 1 A 35 35 HIS H H 35 7.164 7.977 -0.813 1
1 343 . 4 1 1 A 35 35 HIS CA C 35 55.166 55.504 -0.338 1
1 344 . 4 1 1 A 35 35 HIS HA H 35 4.811 4.797 0.014 1
1 345 . 4 1 1 A 35 35 HIS CB C 35 28.575 29.759 -1.184 1
1 352 . 4 1 1 A 35 35 HIS C C 35 175.753 175.385 0.368 1
1 353 . 4 1 1 A 36 36 THR N N 36 111.834 110.967 0.867 1
1 354 . 4 1 1 A 36 36 THR H H 36 7.736 7.460 0.276 1
1 355 . 4 1 1 A 36 36 THR CA C 36 62.474 60.252 2.222 1
1 356 . 4 1 1 A 36 36 THR HA H 36 4.296 4.620 -0.324 1
1 357 . 4 1 1 A 36 36 THR CB C 36 69.785 68.525 1.260 1
1 363 . 4 1 1 A 36 36 THR C C 36 175.464 174.251 1.213 1
1 364 . 4 1 1 A 37 37 GLY N N 37 110.633 110.744 -0.111 1
1 365 . 4 1 1 A 37 37 GLY H H 37 8.203 8.038 0.165 1
1 366 . 4 1 1 A 37 37 GLY CA C 37 45.294 45.193 0.101 1
1 367 . 4 1 1 A 37 37 GLY HA2 H 37 3.963 4.108 -0.145 1
1 368 . 4 1 1 A 37 37 GLY HA3 H 37 3.898 4.113 -0.215 1
1 369 . 4 1 1 A 37 37 GLY C C 37 174.023 171.821 2.202 1
1 370 . 4 1 1 A 38 38 GLU N N 38 120.541 121.428 -0.887 1
1 371 . 4 1 1 A 38 38 GLU H H 38 8.056 8.624 -0.568 1
1 372 . 4 1 1 A 38 38 GLU CA C 38 56.376 55.379 0.997 1
1 373 . 4 1 1 A 38 38 GLU HA H 38 4.185 5.010 -0.825 1
1 374 . 4 1 1 A 38 38 GLU CB C 38 30.483 30.786 -0.303 1
1 380 . 4 1 1 A 38 38 GLU C C 38 176.222 175.451 0.771 1
1 381 . 4 1 1 A 39 39 LYS N N 39 123.877 125.312 -1.435 1
1 382 . 4 1 1 A 39 39 LYS H H 39 8.382 8.513 -0.131 1
1 383 . 4 1 1 A 39 39 LYS CA C 39 54.071 53.243 0.828 1
1 384 . 4 1 1 A 39 39 LYS HA H 39 4.545 4.779 -0.234 1
1 385 . 4 1 1 A 39 39 LYS CB C 39 32.423 33.275 -0.852 1
1 396 . 4 1 1 A 39 39 LYS C C 39 174.477 176.441 -1.964 1
1 397 . 4 1 1 A 40 40 PRO CA C 40 63.142 64.087 -0.945 1
1 398 . 4 1 1 A 40 40 PRO HA H 40 4.399 4.506 -0.107 1
1 399 . 4 1 1 A 40 40 PRO CB C 40 32.100 31.542 0.558 1
1 408 . 4 1 1 A 40 40 PRO C C 40 176.965 176.034 0.931 1
1 409 . 4 1 1 A 41 41 SER N N 41 116.545 113.870 2.675 1
1 410 . 4 1 1 A 41 41 SER H H 41 8.456 7.797 0.659 1
1 411 . 4 1 1 A 41 41 SER CA C 41 58.303 56.837 1.466 1
1 412 . 4 1 1 A 41 41 SER HA H 41 4.418 4.799 -0.381 1
1 413 . 4 1 1 A 41 41 SER CB C 41 64.033 65.660 -1.627 1
1 416 . 4 1 1 A 41 41 SER C C 41 174.604 174.452 0.152 1
1 417 . 4 1 1 A 42 42 GLY CA C 42 44.595 43.915 0.680 1
1 418 . 4 1 1 A 42 42 GLY HA2 H 42 4.043 4.112 -0.069 1
1 419 . 4 1 1 A 42 42 GLY HA3 H 42 4.102 4.116 -0.014 1
1 420 . 4 1 1 A 43 43 PRO CA C 43 63.183 62.429 0.754 1
1 421 . 4 1 1 A 43 43 PRO HA H 43 4.409 4.600 -0.191 1
1 422 . 4 1 1 A 43 43 PRO CB C 43 32.160 32.966 -0.806 1
1 431 . 4 1 1 A 45 45 SER CA C 45 58.358 58.881 -0.523 1
1 432 . 4 1 1 A 45 45 SER HA H 45 4.458 4.529 -0.071 1
1 433 . 4 1 1 A 45 45 SER CB C 45 64.035 64.002 0.033 1
1 435 . 4 1 1 A 45 45 SER C C 45 173.906 175.547 -1.641 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.360 46.303 -0.943 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 3.977 3.775 0.202 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 3.977 3.777 0.200 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.507 174.715 -0.208 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.829 110.438 2.391 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.115 7.727 0.388 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.759 60.094 1.665 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.312 4.829 -0.517 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.817 71.310 -1.493 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.249 173.570 1.679 1
1 16 . 5 1 1 A 9 9 GLY N N 9 110.896 111.493 -0.597 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.416 8.714 -0.298 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.299 45.532 -0.233 1
1 19 . 5 1 1 A 9 9 GLY HA2 H 9 3.900 4.050 -0.150 1
1 20 . 5 1 1 A 9 9 GLY HA3 H 9 3.900 4.050 -0.150 1
1 21 . 5 1 1 A 9 9 GLY C C 9 174.082 174.654 -0.572 1
1 22 . 5 1 1 A 10 10 GLU N N 10 120.023 118.676 1.347 1
1 23 . 5 1 1 A 10 10 GLU H H 10 8.184 8.105 0.079 1
1 24 . 5 1 1 A 10 10 GLU CA C 10 56.936 55.484 1.452 1
1 25 . 5 1 1 A 10 10 GLU HA H 10 4.102 4.520 -0.418 1
1 26 . 5 1 1 A 10 10 GLU CB C 10 30.327 30.554 -0.227 1
1 32 . 5 1 1 A 10 10 GLU C C 10 176.503 174.832 1.671 1
1 33 . 5 1 1 A 11 11 LYS N N 11 121.280 118.627 2.653 1
1 34 . 5 1 1 A 11 11 LYS H H 11 8.281 7.496 0.785 1
1 35 . 5 1 1 A 11 11 LYS CA C 11 53.669 52.936 0.733 1
1 36 . 5 1 1 A 11 11 LYS HA H 11 4.388 4.788 -0.400 1
1 37 . 5 1 1 A 11 11 LYS CB C 11 33.080 33.988 -0.908 1
1 49 . 5 1 1 A 11 11 LYS C C 11 173.641 176.229 -2.588 1
1 50 . 5 1 1 A 12 12 PRO CA C 12 63.359 63.993 -0.634 1
1 51 . 5 1 1 A 12 12 PRO HA H 12 4.181 4.297 -0.116 1
1 52 . 5 1 1 A 12 12 PRO CB C 12 32.233 31.311 0.922 1
1 61 . 5 1 1 A 12 12 PRO C C 12 176.415 175.584 0.831 1
1 62 . 5 1 1 A 13 13 TYR N N 13 118.435 118.160 0.275 1
1 63 . 5 1 1 A 13 13 TYR H H 13 7.798 7.442 0.356 1
1 64 . 5 1 1 A 13 13 TYR CA C 13 57.003 56.700 0.303 1
1 65 . 5 1 1 A 13 13 TYR HA H 13 4.666 5.393 -0.727 1
1 66 . 5 1 1 A 13 13 TYR CB C 13 38.081 42.402 -4.321 1
1 77 . 5 1 1 A 13 13 TYR C C 13 174.560 174.311 0.249 1
1 78 . 5 1 1 A 14 14 GLU N N 14 124.052 123.811 0.241 1
1 79 . 5 1 1 A 14 14 GLU H H 14 8.452 8.987 -0.535 1
1 80 . 5 1 1 A 14 14 GLU CA C 14 55.017 55.441 -0.424 1
1 81 . 5 1 1 A 14 14 GLU HA H 14 4.842 4.941 -0.099 1
1 82 . 5 1 1 A 14 14 GLU CB C 14 32.845 33.788 -0.943 1
1 88 . 5 1 1 A 14 14 GLU C C 14 175.274 175.061 0.213 1
1 89 . 5 1 1 A 15 15 CYS N N 15 126.436 124.997 1.439 1
1 90 . 5 1 1 A 15 15 CYS H H 15 9.246 9.461 -0.215 1
1 91 . 5 1 1 A 15 15 CYS CA C 15 59.316 59.769 -0.453 1
1 92 . 5 1 1 A 15 15 CYS HA H 15 4.516 4.601 -0.085 1
1 93 . 5 1 1 A 15 15 CYS CB C 15 29.534 28.491 1.043 1
1 96 . 5 1 1 A 15 15 CYS C C 15 177.358 175.828 1.530 1
1 97 . 5 1 1 A 16 16 LYS N N 16 117.311 128.188 -10.877 1
1 98 . 5 1 1 A 16 16 LYS H H 16 9.330 9.006 0.324 1
1 99 . 5 1 1 A 16 16 LYS CA C 16 58.072 55.688 2.384 1
1 100 . 5 1 1 A 16 16 LYS HA H 16 4.136 4.580 -0.444 1
1 101 . 5 1 1 A 16 16 LYS CB C 16 31.984 31.073 0.911 1
1 113 . 5 1 1 A 16 16 LYS C C 16 177.050 177.506 -0.456 1
1 114 . 5 1 1 A 17 17 GLU N N 17 119.733 120.311 -0.578 1
1 115 . 5 1 1 A 17 17 GLU H H 17 8.535 8.014 0.521 1
1 116 . 5 1 1 A 17 17 GLU CA C 17 58.258 56.959 1.299 1
1 117 . 5 1 1 A 17 17 GLU HA H 17 4.129 4.523 -0.394 1
1 118 . 5 1 1 A 17 17 GLU CB C 17 29.273 32.422 -3.149 1
1 124 . 5 1 1 A 17 17 GLU C C 17 177.315 177.785 -0.470 1
1 125 . 5 1 1 A 18 18 CYS N N 18 129.046 114.708 14.338 1
1 126 . 5 1 1 A 18 18 CYS H H 18 7.834 8.096 -0.262 1
1 127 . 5 1 1 A 18 18 CYS CA C 18 58.321 59.409 -1.088 1
1 128 . 5 1 1 A 18 18 CYS HA H 18 5.122 4.710 0.412 1
1 129 . 5 1 1 A 18 18 CYS CB C 18 32.639 30.358 2.281 1
1 132 . 5 1 1 A 18 18 CYS C C 18 176.226 175.573 0.653 1
1 133 . 5 1 1 A 19 19 GLY N N 19 113.826 110.101 3.725 1
1 134 . 5 1 1 A 19 19 GLY H H 19 8.242 8.500 -0.258 1
1 135 . 5 1 1 A 19 19 GLY CA C 19 46.088 46.181 -0.093 1
1 136 . 5 1 1 A 19 19 GLY HA2 H 19 4.179 4.020 0.159 1
1 137 . 5 1 1 A 19 19 GLY HA3 H 19 3.816 4.034 -0.218 1
1 138 . 5 1 1 A 19 19 GLY C C 19 173.827 173.988 -0.161 1
1 139 . 5 1 1 A 20 20 LYS N N 20 122.964 119.974 2.990 1
1 140 . 5 1 1 A 20 20 LYS H H 20 7.922 7.679 0.243 1
1 141 . 5 1 1 A 20 20 LYS CA C 20 58.100 54.945 3.155 1
1 142 . 5 1 1 A 20 20 LYS HA H 20 3.891 4.839 -0.948 1
1 143 . 5 1 1 A 20 20 LYS CB C 20 33.635 35.265 -1.630 1
1 155 . 5 1 1 A 20 20 LYS C C 20 173.610 174.479 -0.869 1
1 156 . 5 1 1 A 21 21 ALA N N 21 123.854 129.077 -5.223 1
1 157 . 5 1 1 A 21 21 ALA H H 21 7.723 8.802 -1.079 1
1 158 . 5 1 1 A 21 21 ALA CA C 21 50.412 50.233 0.179 1
1 159 . 5 1 1 A 21 21 ALA HA H 21 5.067 5.579 -0.512 1
1 160 . 5 1 1 A 21 21 ALA CB C 21 22.154 21.407 0.747 1
1 164 . 5 1 1 A 21 21 ALA C C 21 176.234 175.969 0.265 1
1 165 . 5 1 1 A 22 22 PHE N N 22 116.521 119.719 -3.198 1
1 166 . 5 1 1 A 22 22 PHE H H 22 8.639 8.672 -0.033 1
1 167 . 5 1 1 A 22 22 PHE CA C 22 57.304 56.516 0.788 1
1 168 . 5 1 1 A 22 22 PHE HA H 22 4.745 4.998 -0.253 1
1 169 . 5 1 1 A 22 22 PHE CB C 22 44.191 41.752 2.439 1
1 182 . 5 1 1 A 22 22 PHE C C 22 175.366 176.191 -0.825 1
1 183 . 5 1 1 A 23 23 SER N N 23 115.521 119.149 -3.628 1
1 184 . 5 1 1 A 23 23 SER H H 23 9.661 8.885 0.776 1
1 185 . 5 1 1 A 23 23 SER CA C 23 59.967 60.623 -0.656 1
1 186 . 5 1 1 A 23 23 SER HA H 23 4.679 4.383 0.296 1
1 187 . 5 1 1 A 23 23 SER CB C 23 64.445 63.145 1.300 1
1 190 . 5 1 1 A 23 23 SER C C 23 174.027 174.513 -0.486 1
1 191 . 5 1 1 A 24 24 GLN N N 24 115.852 120.772 -4.920 1
1 192 . 5 1 1 A 24 24 GLN H H 24 7.218 8.084 -0.866 1
1 193 . 5 1 1 A 24 24 GLN CA C 24 53.982 54.503 -0.521 1
1 194 . 5 1 1 A 24 24 GLN HA H 24 4.834 4.752 0.082 1
1 195 . 5 1 1 A 24 24 GLN CB C 24 32.152 31.625 0.527 1
1 204 . 5 1 1 A 24 24 GLN C C 24 176.620 175.525 1.095 1
1 205 . 5 1 1 A 25 25 THR CA C 25 65.709 65.749 -0.040 1
1 206 . 5 1 1 A 25 25 THR HA H 25 3.211 3.256 -0.045 1
1 207 . 5 1 1 A 25 25 THR CB C 25 67.811 68.526 -0.715 1
1 213 . 5 1 1 A 25 25 THR C C 25 176.919 175.542 1.377 1
1 214 . 5 1 1 A 26 26 THR N N 26 112.897 115.883 -2.986 1
1 215 . 5 1 1 A 26 26 THR H H 26 7.831 8.115 -0.284 1
1 216 . 5 1 1 A 26 26 THR CA C 26 65.080 65.344 -0.264 1
1 217 . 5 1 1 A 26 26 THR HA H 26 3.757 3.856 -0.099 1
1 218 . 5 1 1 A 26 26 THR CB C 26 68.011 68.591 -0.580 1
1 224 . 5 1 1 A 26 26 THR C C 26 176.443 176.992 -0.549 1
1 225 . 5 1 1 A 27 27 HIS N N 27 119.551 119.681 -0.130 1
1 226 . 5 1 1 A 27 27 HIS H H 27 6.604 7.761 -1.157 1
1 227 . 5 1 1 A 27 27 HIS CA C 27 56.982 59.056 -2.074 1
1 228 . 5 1 1 A 27 27 HIS HA H 27 4.367 4.192 0.175 1
1 229 . 5 1 1 A 27 27 HIS CB C 27 31.824 29.724 2.100 1
1 236 . 5 1 1 A 27 27 HIS C C 27 178.059 177.453 0.606 1
1 237 . 5 1 1 A 28 28 LEU N N 28 121.872 119.249 2.623 1
1 238 . 5 1 1 A 28 28 LEU H H 28 6.995 7.436 -0.441 1
1 239 . 5 1 1 A 28 28 LEU CA C 28 57.919 57.603 0.316 1
1 240 . 5 1 1 A 28 28 LEU HA H 28 3.210 3.182 0.028 1
1 241 . 5 1 1 A 28 28 LEU CB C 28 40.630 41.560 -0.930 1
1 254 . 5 1 1 A 28 28 LEU C C 28 177.447 178.321 -0.874 1
1 255 . 5 1 1 A 29 29 ILE N N 29 119.734 119.609 0.125 1
1 256 . 5 1 1 A 29 29 ILE H H 29 8.121 7.731 0.390 1
1 257 . 5 1 1 A 29 29 ILE CA C 29 64.592 65.577 -0.985 1
1 258 . 5 1 1 A 29 29 ILE HA H 29 3.681 3.455 0.226 1
1 259 . 5 1 1 A 29 29 ILE CB C 29 37.668 37.725 -0.057 1
1 272 . 5 1 1 A 29 29 ILE C C 29 179.288 177.814 1.474 1
1 273 . 5 1 1 A 30 30 GLN N N 30 117.944 118.125 -0.181 1
1 274 . 5 1 1 A 30 30 GLN H H 30 7.660 7.334 0.326 1
1 275 . 5 1 1 A 30 30 GLN CA C 30 58.702 58.661 0.041 1
1 276 . 5 1 1 A 30 30 GLN HA H 30 3.893 3.961 -0.068 1
1 277 . 5 1 1 A 30 30 GLN CB C 30 28.308 28.440 -0.132 1
1 286 . 5 1 1 A 30 30 GLN C C 30 178.753 178.045 0.708 1
1 287 . 5 1 1 A 31 31 HIS N N 31 118.960 120.690 -1.730 1
1 288 . 5 1 1 A 31 31 HIS H H 31 7.639 7.838 -0.199 1
1 289 . 5 1 1 A 31 31 HIS CA C 31 58.828 60.096 -1.268 1
1 290 . 5 1 1 A 31 31 HIS HA H 31 4.183 4.134 0.049 1
1 291 . 5 1 1 A 31 31 HIS CB C 31 28.483 29.235 -0.752 1
1 298 . 5 1 1 A 31 31 HIS C C 31 175.999 177.228 -1.229 1
1 299 . 5 1 1 A 32 32 GLN N N 32 115.694 118.632 -2.938 1
1 300 . 5 1 1 A 32 32 GLN H H 32 8.201 8.162 0.039 1
1 301 . 5 1 1 A 32 32 GLN CA C 32 59.179 58.995 0.184 1
1 302 . 5 1 1 A 32 32 GLN HA H 32 3.596 3.629 -0.033 1
1 303 . 5 1 1 A 32 32 GLN CB C 32 28.048 28.223 -0.175 1
1 312 . 5 1 1 A 32 32 GLN C C 32 177.337 178.742 -1.405 1
1 313 . 5 1 1 A 33 33 ARG N N 33 117.574 120.385 -2.811 1
1 314 . 5 1 1 A 33 33 ARG H H 33 7.079 7.778 -0.699 1
1 315 . 5 1 1 A 33 33 ARG CA C 33 58.431 58.940 -0.509 1
1 316 . 5 1 1 A 33 33 ARG HA H 33 4.090 4.057 0.033 1
1 317 . 5 1 1 A 33 33 ARG CB C 33 29.971 29.988 -0.017 1
1 325 . 5 1 1 A 33 33 ARG C C 33 178.500 178.920 -0.420 1
1 326 . 5 1 1 A 34 34 VAL N N 34 116.091 116.864 -0.773 1
1 327 . 5 1 1 A 34 34 VAL H H 34 7.860 7.412 0.448 1
1 328 . 5 1 1 A 34 34 VAL CA C 34 63.986 65.362 -1.376 1
1 329 . 5 1 1 A 34 34 VAL HA H 34 3.853 3.747 0.106 1
1 330 . 5 1 1 A 34 34 VAL CB C 34 31.100 31.088 0.012 1
1 340 . 5 1 1 A 34 34 VAL C C 34 177.255 177.235 0.020 1
1 341 . 5 1 1 A 35 35 HIS N N 35 117.210 119.859 -2.649 1
1 342 . 5 1 1 A 35 35 HIS H H 35 7.164 7.619 -0.455 1
1 343 . 5 1 1 A 35 35 HIS CA C 35 55.166 58.136 -2.970 1
1 344 . 5 1 1 A 35 35 HIS HA H 35 4.811 4.464 0.347 1
1 345 . 5 1 1 A 35 35 HIS CB C 35 28.575 30.766 -2.191 1
1 352 . 5 1 1 A 35 35 HIS C C 35 175.753 175.301 0.452 1
1 353 . 5 1 1 A 36 36 THR N N 36 111.834 112.381 -0.547 1
1 354 . 5 1 1 A 36 36 THR H H 36 7.736 7.635 0.101 1
1 355 . 5 1 1 A 36 36 THR CA C 36 62.474 60.949 1.525 1
1 356 . 5 1 1 A 36 36 THR HA H 36 4.296 4.531 -0.235 1
1 357 . 5 1 1 A 36 36 THR CB C 36 69.785 69.717 0.068 1
1 363 . 5 1 1 A 36 36 THR C C 36 175.464 175.368 0.096 1
1 364 . 5 1 1 A 37 37 GLY N N 37 110.633 110.632 0.001 1
1 365 . 5 1 1 A 37 37 GLY H H 37 8.203 7.870 0.333 1
1 366 . 5 1 1 A 37 37 GLY CA C 37 45.294 45.694 -0.400 1
1 367 . 5 1 1 A 37 37 GLY HA2 H 37 3.963 4.074 -0.111 1
1 368 . 5 1 1 A 37 37 GLY HA3 H 37 3.898 4.080 -0.182 1
1 369 . 5 1 1 A 37 37 GLY C C 37 174.023 173.718 0.305 1
1 370 . 5 1 1 A 38 38 GLU N N 38 120.541 119.582 0.959 1
1 371 . 5 1 1 A 38 38 GLU H H 38 8.056 7.911 0.145 1
1 372 . 5 1 1 A 38 38 GLU CA C 38 56.376 55.642 0.734 1
1 373 . 5 1 1 A 38 38 GLU HA H 38 4.185 4.763 -0.578 1
1 374 . 5 1 1 A 38 38 GLU CB C 38 30.483 31.323 -0.840 1
1 380 . 5 1 1 A 38 38 GLU C C 38 176.222 175.887 0.335 1
1 381 . 5 1 1 A 39 39 LYS N N 39 123.877 121.788 2.089 1
1 382 . 5 1 1 A 39 39 LYS H H 39 8.382 8.821 -0.439 1
1 383 . 5 1 1 A 39 39 LYS CA C 39 54.071 53.960 0.111 1
1 384 . 5 1 1 A 39 39 LYS HA H 39 4.545 4.828 -0.283 1
1 385 . 5 1 1 A 39 39 LYS CB C 39 32.423 35.480 -3.057 1
1 396 . 5 1 1 A 39 39 LYS C C 39 174.477 175.859 -1.382 1
1 397 . 5 1 1 A 40 40 PRO CA C 40 63.142 63.973 -0.831 1
1 398 . 5 1 1 A 40 40 PRO HA H 40 4.399 4.457 -0.058 1
1 399 . 5 1 1 A 40 40 PRO CB C 40 32.100 31.680 0.420 1
1 408 . 5 1 1 A 40 40 PRO C C 40 176.965 176.228 0.737 1
1 409 . 5 1 1 A 41 41 SER N N 41 116.545 114.619 1.926 1
1 410 . 5 1 1 A 41 41 SER H H 41 8.456 7.784 0.672 1
1 411 . 5 1 1 A 41 41 SER CA C 41 58.303 57.021 1.282 1
1 412 . 5 1 1 A 41 41 SER HA H 41 4.418 5.031 -0.613 1
1 413 . 5 1 1 A 41 41 SER CB C 41 64.033 65.629 -1.596 1
1 416 . 5 1 1 A 41 41 SER C C 41 174.604 174.212 0.392 1
1 417 . 5 1 1 A 42 42 GLY CA C 42 44.595 45.965 -1.370 1
1 418 . 5 1 1 A 42 42 GLY HA2 H 42 4.043 4.089 -0.046 1
1 419 . 5 1 1 A 42 42 GLY HA3 H 42 4.102 4.089 0.013 1
1 420 . 5 1 1 A 43 43 PRO CA C 43 63.183 64.416 -1.233 1
1 421 . 5 1 1 A 43 43 PRO HA H 43 4.409 4.473 -0.064 1
1 422 . 5 1 1 A 43 43 PRO CB C 43 32.160 32.286 -0.126 1
1 431 . 5 1 1 A 45 45 SER CA C 45 58.358 59.637 -1.279 1
1 432 . 5 1 1 A 45 45 SER HA H 45 4.458 4.362 0.096 1
1 433 . 5 1 1 A 45 45 SER CB C 45 64.035 63.977 0.058 1
1 435 . 5 1 1 A 45 45 SER C C 45 173.906 175.276 -1.370 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.360 44.926 0.434 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 3.977 4.199 -0.222 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 3.977 4.201 -0.224 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.507 174.865 -0.358 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.829 117.968 -5.139 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.115 8.686 -0.571 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.759 65.780 -4.021 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.312 4.037 0.275 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.817 69.349 0.468 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.249 174.510 0.739 1
1 16 . 6 1 1 A 9 9 GLY N N 9 110.896 105.512 5.384 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.416 7.396 1.020 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.299 44.371 0.928 1
1 19 . 6 1 1 A 9 9 GLY HA2 H 9 3.900 4.035 -0.135 1
1 20 . 6 1 1 A 9 9 GLY HA3 H 9 3.900 4.036 -0.136 1
1 21 . 6 1 1 A 9 9 GLY C C 9 174.082 172.198 1.884 1
1 22 . 6 1 1 A 10 10 GLU N N 10 120.023 119.220 0.803 1
1 23 . 6 1 1 A 10 10 GLU H H 10 8.184 8.437 -0.253 1
1 24 . 6 1 1 A 10 10 GLU CA C 10 56.936 54.903 2.033 1
1 25 . 6 1 1 A 10 10 GLU HA H 10 4.102 5.018 -0.916 1
1 26 . 6 1 1 A 10 10 GLU CB C 10 30.327 32.701 -2.374 1
1 32 . 6 1 1 A 10 10 GLU C C 10 176.503 175.566 0.937 1
1 33 . 6 1 1 A 11 11 LYS N N 11 121.280 125.022 -3.742 1
1 34 . 6 1 1 A 11 11 LYS H H 11 8.281 8.685 -0.404 1
1 35 . 6 1 1 A 11 11 LYS CA C 11 53.669 54.494 -0.825 1
1 36 . 6 1 1 A 11 11 LYS HA H 11 4.388 4.392 -0.004 1
1 37 . 6 1 1 A 11 11 LYS CB C 11 33.080 31.600 1.480 1
1 49 . 6 1 1 A 11 11 LYS C C 11 173.641 176.457 -2.816 1
1 50 . 6 1 1 A 12 12 PRO CA C 12 63.359 63.881 -0.522 1
1 51 . 6 1 1 A 12 12 PRO HA H 12 4.181 4.257 -0.076 1
1 52 . 6 1 1 A 12 12 PRO CB C 12 32.233 30.966 1.267 1
1 61 . 6 1 1 A 12 12 PRO C C 12 176.415 175.419 0.996 1
1 62 . 6 1 1 A 13 13 TYR N N 13 118.435 118.967 -0.532 1
1 63 . 6 1 1 A 13 13 TYR H H 13 7.798 7.431 0.367 1
1 64 . 6 1 1 A 13 13 TYR CA C 13 57.003 56.544 0.459 1
1 65 . 6 1 1 A 13 13 TYR HA H 13 4.666 5.421 -0.755 1
1 66 . 6 1 1 A 13 13 TYR CB C 13 38.081 42.941 -4.860 1
1 77 . 6 1 1 A 13 13 TYR C C 13 174.560 174.381 0.179 1
1 78 . 6 1 1 A 14 14 GLU N N 14 124.052 123.555 0.497 1
1 79 . 6 1 1 A 14 14 GLU H H 14 8.452 8.837 -0.385 1
1 80 . 6 1 1 A 14 14 GLU CA C 14 55.017 55.741 -0.724 1
1 81 . 6 1 1 A 14 14 GLU HA H 14 4.842 5.032 -0.190 1
1 82 . 6 1 1 A 14 14 GLU CB C 14 32.845 34.297 -1.452 1
1 88 . 6 1 1 A 14 14 GLU C C 14 175.274 174.553 0.721 1
1 89 . 6 1 1 A 15 15 CYS N N 15 126.436 124.640 1.796 1
1 90 . 6 1 1 A 15 15 CYS H H 15 9.246 8.708 0.538 1
1 91 . 6 1 1 A 15 15 CYS CA C 15 59.316 57.911 1.405 1
1 92 . 6 1 1 A 15 15 CYS HA H 15 4.516 4.691 -0.175 1
1 93 . 6 1 1 A 15 15 CYS CB C 15 29.534 27.747 1.787 1
1 96 . 6 1 1 A 15 15 CYS C C 15 177.358 175.777 1.581 1
1 97 . 6 1 1 A 16 16 LYS N N 16 117.311 127.040 -9.729 1
1 98 . 6 1 1 A 16 16 LYS H H 16 9.330 8.823 0.507 1
1 99 . 6 1 1 A 16 16 LYS CA C 16 58.072 58.977 -0.905 1
1 100 . 6 1 1 A 16 16 LYS HA H 16 4.136 4.213 -0.077 1
1 101 . 6 1 1 A 16 16 LYS CB C 16 31.984 32.207 -0.223 1
1 113 . 6 1 1 A 16 16 LYS C C 16 177.050 178.726 -1.676 1
1 114 . 6 1 1 A 17 17 GLU N N 17 119.733 118.885 0.848 1
1 115 . 6 1 1 A 17 17 GLU H H 17 8.535 8.112 0.423 1
1 116 . 6 1 1 A 17 17 GLU CA C 17 58.258 58.843 -0.585 1
1 117 . 6 1 1 A 17 17 GLU HA H 17 4.129 4.031 0.098 1
1 118 . 6 1 1 A 17 17 GLU CB C 17 29.273 29.390 -0.117 1
1 124 . 6 1 1 A 17 17 GLU C C 17 177.315 178.166 -0.851 1
1 125 . 6 1 1 A 18 18 CYS N N 18 129.046 115.142 13.904 1
1 126 . 6 1 1 A 18 18 CYS H H 18 7.834 8.087 -0.253 1
1 127 . 6 1 1 A 18 18 CYS CA C 18 58.321 59.725 -1.404 1
1 128 . 6 1 1 A 18 18 CYS HA H 18 5.122 4.699 0.423 1
1 129 . 6 1 1 A 18 18 CYS CB C 18 32.639 30.070 2.569 1
1 132 . 6 1 1 A 18 18 CYS C C 18 176.226 175.297 0.929 1
1 133 . 6 1 1 A 19 19 GLY N N 19 113.826 109.882 3.944 1
1 134 . 6 1 1 A 19 19 GLY H H 19 8.242 8.166 0.076 1
1 135 . 6 1 1 A 19 19 GLY CA C 19 46.088 45.942 0.146 1
1 136 . 6 1 1 A 19 19 GLY HA2 H 19 4.179 4.058 0.121 1
1 137 . 6 1 1 A 19 19 GLY HA3 H 19 3.816 4.069 -0.253 1
1 138 . 6 1 1 A 19 19 GLY C C 19 173.827 173.913 -0.086 1
1 139 . 6 1 1 A 20 20 LYS N N 20 122.964 120.265 2.699 1
1 140 . 6 1 1 A 20 20 LYS H H 20 7.922 7.749 0.173 1
1 141 . 6 1 1 A 20 20 LYS CA C 20 58.100 55.074 3.026 1
1 142 . 6 1 1 A 20 20 LYS HA H 20 3.891 4.845 -0.954 1
1 143 . 6 1 1 A 20 20 LYS CB C 20 33.635 35.263 -1.628 1
1 155 . 6 1 1 A 20 20 LYS C C 20 173.610 174.523 -0.913 1
1 156 . 6 1 1 A 21 21 ALA N N 21 123.854 129.026 -5.172 1
1 157 . 6 1 1 A 21 21 ALA H H 21 7.723 8.789 -1.066 1
1 158 . 6 1 1 A 21 21 ALA CA C 21 50.412 50.410 0.002 1
1 159 . 6 1 1 A 21 21 ALA HA H 21 5.067 5.609 -0.542 1
1 160 . 6 1 1 A 21 21 ALA CB C 21 22.154 21.730 0.424 1
1 164 . 6 1 1 A 21 21 ALA C C 21 176.234 176.385 -0.151 1
1 165 . 6 1 1 A 22 22 PHE N N 22 116.521 118.932 -2.411 1
1 166 . 6 1 1 A 22 22 PHE H H 22 8.639 8.418 0.221 1
1 167 . 6 1 1 A 22 22 PHE CA C 22 57.304 56.866 0.438 1
1 168 . 6 1 1 A 22 22 PHE HA H 22 4.745 4.845 -0.100 1
1 169 . 6 1 1 A 22 22 PHE CB C 22 44.191 42.153 2.038 1
1 182 . 6 1 1 A 22 22 PHE C C 22 175.366 176.117 -0.751 1
1 183 . 6 1 1 A 23 23 SER N N 23 115.521 117.852 -2.331 1
1 184 . 6 1 1 A 23 23 SER H H 23 9.661 8.966 0.695 1
1 185 . 6 1 1 A 23 23 SER CA C 23 59.967 62.360 -2.393 1
1 186 . 6 1 1 A 23 23 SER HA H 23 4.679 4.365 0.314 1
1 187 . 6 1 1 A 23 23 SER CB C 23 64.445 62.971 1.474 1
1 190 . 6 1 1 A 23 23 SER C C 23 174.027 175.250 -1.223 1
1 191 . 6 1 1 A 24 24 GLN N N 24 115.852 118.738 -2.886 1
1 192 . 6 1 1 A 24 24 GLN H H 24 7.218 8.292 -1.074 1
1 193 . 6 1 1 A 24 24 GLN CA C 24 53.982 54.468 -0.486 1
1 194 . 6 1 1 A 24 24 GLN HA H 24 4.834 4.672 0.162 1
1 195 . 6 1 1 A 24 24 GLN CB C 24 32.152 30.961 1.191 1
1 204 . 6 1 1 A 24 24 GLN C C 24 176.620 176.389 0.231 1
1 205 . 6 1 1 A 25 25 THR CA C 25 65.709 65.743 -0.034 1
1 206 . 6 1 1 A 25 25 THR HA H 25 3.211 3.472 -0.261 1
1 207 . 6 1 1 A 25 25 THR CB C 25 67.811 68.107 -0.296 1
1 213 . 6 1 1 A 25 25 THR C C 25 176.919 176.023 0.896 1
1 214 . 6 1 1 A 26 26 THR N N 26 112.897 113.914 -1.017 1
1 215 . 6 1 1 A 26 26 THR H H 26 7.831 8.025 -0.194 1
1 216 . 6 1 1 A 26 26 THR CA C 26 65.080 65.497 -0.417 1
1 217 . 6 1 1 A 26 26 THR HA H 26 3.757 3.970 -0.213 1
1 218 . 6 1 1 A 26 26 THR CB C 26 68.011 67.993 0.018 1
1 224 . 6 1 1 A 26 26 THR C C 26 176.443 177.039 -0.596 1
1 225 . 6 1 1 A 27 27 HIS N N 27 119.551 119.178 0.373 1
1 226 . 6 1 1 A 27 27 HIS H H 27 6.604 8.083 -1.479 1
1 227 . 6 1 1 A 27 27 HIS CA C 27 56.982 58.664 -1.682 1
1 228 . 6 1 1 A 27 27 HIS HA H 27 4.367 4.298 0.069 1
1 229 . 6 1 1 A 27 27 HIS CB C 27 31.824 29.675 2.149 1
1 236 . 6 1 1 A 27 27 HIS C C 27 178.059 177.268 0.791 1
1 237 . 6 1 1 A 28 28 LEU N N 28 121.872 120.332 1.540 1
1 238 . 6 1 1 A 28 28 LEU H H 28 6.995 8.115 -1.120 1
1 239 . 6 1 1 A 28 28 LEU CA C 28 57.919 56.766 1.153 1
1 240 . 6 1 1 A 28 28 LEU HA H 28 3.210 3.051 0.159 1
1 241 . 6 1 1 A 28 28 LEU CB C 28 40.630 41.831 -1.201 1
1 254 . 6 1 1 A 28 28 LEU C C 28 177.447 178.515 -1.068 1
1 255 . 6 1 1 A 29 29 ILE N N 29 119.734 118.908 0.826 1
1 256 . 6 1 1 A 29 29 ILE H H 29 8.121 7.888 0.233 1
1 257 . 6 1 1 A 29 29 ILE CA C 29 64.592 64.487 0.105 1
1 258 . 6 1 1 A 29 29 ILE HA H 29 3.681 3.587 0.094 1
1 259 . 6 1 1 A 29 29 ILE CB C 29 37.668 37.238 0.430 1
1 272 . 6 1 1 A 29 29 ILE C C 29 179.288 177.862 1.426 1
1 273 . 6 1 1 A 30 30 GLN N N 30 117.944 119.759 -1.815 1
1 274 . 6 1 1 A 30 30 GLN H H 30 7.660 8.216 -0.556 1
1 275 . 6 1 1 A 30 30 GLN CA C 30 58.702 58.157 0.545 1
1 276 . 6 1 1 A 30 30 GLN HA H 30 3.893 4.032 -0.139 1
1 277 . 6 1 1 A 30 30 GLN CB C 30 28.308 28.395 -0.087 1
1 286 . 6 1 1 A 30 30 GLN C C 30 178.753 178.041 0.712 1
1 287 . 6 1 1 A 31 31 HIS N N 31 118.960 120.206 -1.246 1
1 288 . 6 1 1 A 31 31 HIS H H 31 7.639 7.451 0.188 1
1 289 . 6 1 1 A 31 31 HIS CA C 31 58.828 59.673 -0.845 1
1 290 . 6 1 1 A 31 31 HIS HA H 31 4.183 4.122 0.061 1
1 291 . 6 1 1 A 31 31 HIS CB C 31 28.483 29.706 -1.223 1
1 298 . 6 1 1 A 31 31 HIS C C 31 175.999 176.489 -0.490 1
1 299 . 6 1 1 A 32 32 GLN N N 32 115.694 117.102 -1.408 1
1 300 . 6 1 1 A 32 32 GLN H H 32 8.201 7.799 0.402 1
1 301 . 6 1 1 A 32 32 GLN CA C 32 59.179 59.150 0.029 1
1 302 . 6 1 1 A 32 32 GLN HA H 32 3.596 3.832 -0.236 1
1 303 . 6 1 1 A 32 32 GLN CB C 32 28.048 28.273 -0.225 1
1 312 . 6 1 1 A 32 32 GLN C C 32 177.337 178.470 -1.133 1
1 313 . 6 1 1 A 33 33 ARG N N 33 117.574 120.395 -2.821 1
1 314 . 6 1 1 A 33 33 ARG H H 33 7.079 8.238 -1.159 1
1 315 . 6 1 1 A 33 33 ARG CA C 33 58.431 59.183 -0.752 1
1 316 . 6 1 1 A 33 33 ARG HA H 33 4.090 3.926 0.164 1
1 317 . 6 1 1 A 33 33 ARG CB C 33 29.971 29.750 0.221 1
1 325 . 6 1 1 A 33 33 ARG C C 33 178.500 178.674 -0.174 1
1 326 . 6 1 1 A 34 34 VAL N N 34 116.091 116.803 -0.712 1
1 327 . 6 1 1 A 34 34 VAL H H 34 7.860 8.097 -0.237 1
1 328 . 6 1 1 A 34 34 VAL CA C 34 63.986 65.155 -1.169 1
1 329 . 6 1 1 A 34 34 VAL HA H 34 3.853 3.721 0.132 1
1 330 . 6 1 1 A 34 34 VAL CB C 34 31.100 31.215 -0.115 1
1 340 . 6 1 1 A 34 34 VAL C C 34 177.255 177.401 -0.146 1
1 341 . 6 1 1 A 35 35 HIS N N 35 117.210 119.744 -2.534 1
1 342 . 6 1 1 A 35 35 HIS H H 35 7.164 7.525 -0.361 1
1 343 . 6 1 1 A 35 35 HIS CA C 35 55.166 57.924 -2.758 1
1 344 . 6 1 1 A 35 35 HIS HA H 35 4.811 4.443 0.368 1
1 345 . 6 1 1 A 35 35 HIS CB C 35 28.575 31.289 -2.714 1
1 352 . 6 1 1 A 35 35 HIS C C 35 175.753 176.336 -0.583 1
1 353 . 6 1 1 A 36 36 THR N N 36 111.834 112.509 -0.675 1
1 354 . 6 1 1 A 36 36 THR H H 36 7.736 7.807 -0.071 1
1 355 . 6 1 1 A 36 36 THR CA C 36 62.474 60.616 1.858 1
1 356 . 6 1 1 A 36 36 THR HA H 36 4.296 4.318 -0.022 1
1 357 . 6 1 1 A 36 36 THR CB C 36 69.785 67.920 1.865 1
1 363 . 6 1 1 A 36 36 THR C C 36 175.464 174.253 1.211 1
1 364 . 6 1 1 A 37 37 GLY N N 37 110.633 110.812 -0.179 1
1 365 . 6 1 1 A 37 37 GLY H H 37 8.203 7.626 0.577 1
1 366 . 6 1 1 A 37 37 GLY CA C 37 45.294 45.436 -0.142 1
1 367 . 6 1 1 A 37 37 GLY HA2 H 37 3.963 4.120 -0.157 1
1 368 . 6 1 1 A 37 37 GLY HA3 H 37 3.898 4.128 -0.230 1
1 369 . 6 1 1 A 37 37 GLY C C 37 174.023 174.142 -0.119 1
1 370 . 6 1 1 A 38 38 GLU N N 38 120.541 121.153 -0.612 1
1 371 . 6 1 1 A 38 38 GLU H H 38 8.056 8.166 -0.110 1
1 372 . 6 1 1 A 38 38 GLU CA C 38 56.376 55.188 1.188 1
1 373 . 6 1 1 A 38 38 GLU HA H 38 4.185 4.718 -0.533 1
1 374 . 6 1 1 A 38 38 GLU CB C 38 30.483 31.386 -0.903 1
1 380 . 6 1 1 A 38 38 GLU C C 38 176.222 174.845 1.377 1
1 381 . 6 1 1 A 39 39 LYS N N 39 123.877 127.824 -3.947 1
1 382 . 6 1 1 A 39 39 LYS H H 39 8.382 8.640 -0.258 1
1 383 . 6 1 1 A 39 39 LYS CA C 39 54.071 52.718 1.353 1
1 384 . 6 1 1 A 39 39 LYS HA H 39 4.545 4.934 -0.389 1
1 385 . 6 1 1 A 39 39 LYS CB C 39 32.423 33.618 -1.195 1
1 396 . 6 1 1 A 39 39 LYS C C 39 174.477 175.239 -0.762 1
1 397 . 6 1 1 A 40 40 PRO CA C 40 63.142 65.577 -2.435 1
1 398 . 6 1 1 A 40 40 PRO HA H 40 4.399 4.338 0.061 1
1 399 . 6 1 1 A 40 40 PRO CB C 40 32.100 31.536 0.564 1
1 408 . 6 1 1 A 40 40 PRO C C 40 176.965 177.241 -0.276 1
1 409 . 6 1 1 A 41 41 SER N N 41 116.545 111.019 5.526 1
1 410 . 6 1 1 A 41 41 SER H H 41 8.456 8.104 0.352 1
1 411 . 6 1 1 A 41 41 SER CA C 41 58.303 59.374 -1.071 1
1 412 . 6 1 1 A 41 41 SER HA H 41 4.418 4.081 0.337 1
1 413 . 6 1 1 A 41 41 SER CB C 41 64.033 61.727 2.306 1
1 416 . 6 1 1 A 41 41 SER C C 41 174.604 174.485 0.119 1
1 417 . 6 1 1 A 42 42 GLY CA C 42 44.595 44.812 -0.217 1
1 418 . 6 1 1 A 42 42 GLY HA2 H 42 4.043 3.997 0.046 1
1 419 . 6 1 1 A 42 42 GLY HA3 H 42 4.102 3.998 0.104 1
1 420 . 6 1 1 A 43 43 PRO CA C 43 63.183 62.727 0.456 1
1 421 . 6 1 1 A 43 43 PRO HA H 43 4.409 4.662 -0.253 1
1 422 . 6 1 1 A 43 43 PRO CB C 43 32.160 31.753 0.407 1
1 431 . 6 1 1 A 45 45 SER CA C 45 58.358 57.449 0.909 1
1 432 . 6 1 1 A 45 45 SER HA H 45 4.458 4.772 -0.314 1
1 433 . 6 1 1 A 45 45 SER CB C 45 64.035 63.676 0.359 1
1 435 . 6 1 1 A 45 45 SER C C 45 173.906 174.070 -0.164 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.360 47.167 -1.807 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 3.977 3.894 0.083 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 3.977 3.899 0.078 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.507 174.729 -0.222 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.829 114.979 -2.150 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.115 7.964 0.151 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.759 61.410 0.349 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.312 4.538 -0.226 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.817 70.205 -0.388 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.249 174.648 0.601 1
1 16 . 7 1 1 A 9 9 GLY N N 9 110.896 111.462 -0.566 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.416 8.349 0.067 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.299 43.960 1.339 1
1 19 . 7 1 1 A 9 9 GLY HA2 H 9 3.900 4.074 -0.174 1
1 20 . 7 1 1 A 9 9 GLY HA3 H 9 3.900 4.078 -0.178 1
1 21 . 7 1 1 A 9 9 GLY C C 9 174.082 173.674 0.408 1
1 22 . 7 1 1 A 10 10 GLU N N 10 120.023 122.271 -2.248 1
1 23 . 7 1 1 A 10 10 GLU H H 10 8.184 9.010 -0.826 1
1 24 . 7 1 1 A 10 10 GLU CA C 10 56.936 56.223 0.713 1
1 25 . 7 1 1 A 10 10 GLU HA H 10 4.102 4.465 -0.363 1
1 26 . 7 1 1 A 10 10 GLU CB C 10 30.327 30.525 -0.198 1
1 32 . 7 1 1 A 10 10 GLU C C 10 176.503 175.453 1.050 1
1 33 . 7 1 1 A 11 11 LYS N N 11 121.280 119.525 1.755 1
1 34 . 7 1 1 A 11 11 LYS H H 11 8.281 7.246 1.035 1
1 35 . 7 1 1 A 11 11 LYS CA C 11 53.669 52.891 0.778 1
1 36 . 7 1 1 A 11 11 LYS HA H 11 4.388 4.681 -0.293 1
1 37 . 7 1 1 A 11 11 LYS CB C 11 33.080 34.626 -1.546 1
1 49 . 7 1 1 A 11 11 LYS C C 11 173.641 175.872 -2.231 1
1 50 . 7 1 1 A 12 12 PRO CA C 12 63.359 63.799 -0.440 1
1 51 . 7 1 1 A 12 12 PRO HA H 12 4.181 4.370 -0.189 1
1 52 . 7 1 1 A 12 12 PRO CB C 12 32.233 31.356 0.877 1
1 61 . 7 1 1 A 12 12 PRO C C 12 176.415 175.709 0.706 1
1 62 . 7 1 1 A 13 13 TYR N N 13 118.435 119.289 -0.854 1
1 63 . 7 1 1 A 13 13 TYR H H 13 7.798 7.212 0.586 1
1 64 . 7 1 1 A 13 13 TYR CA C 13 57.003 56.877 0.126 1
1 65 . 7 1 1 A 13 13 TYR HA H 13 4.666 5.269 -0.603 1
1 66 . 7 1 1 A 13 13 TYR CB C 13 38.081 40.757 -2.676 1
1 77 . 7 1 1 A 13 13 TYR C C 13 174.560 174.434 0.126 1
1 78 . 7 1 1 A 14 14 GLU N N 14 124.052 124.721 -0.669 1
1 79 . 7 1 1 A 14 14 GLU H H 14 8.452 9.084 -0.632 1
1 80 . 7 1 1 A 14 14 GLU CA C 14 55.017 54.793 0.224 1
1 81 . 7 1 1 A 14 14 GLU HA H 14 4.842 5.337 -0.495 1
1 82 . 7 1 1 A 14 14 GLU CB C 14 32.845 33.739 -0.894 1
1 88 . 7 1 1 A 14 14 GLU C C 14 175.274 174.897 0.377 1
1 89 . 7 1 1 A 15 15 CYS N N 15 126.436 124.425 2.011 1
1 90 . 7 1 1 A 15 15 CYS H H 15 9.246 9.235 0.011 1
1 91 . 7 1 1 A 15 15 CYS CA C 15 59.316 59.175 0.141 1
1 92 . 7 1 1 A 15 15 CYS HA H 15 4.516 4.639 -0.123 1
1 93 . 7 1 1 A 15 15 CYS CB C 15 29.534 28.391 1.143 1
1 96 . 7 1 1 A 15 15 CYS C C 15 177.358 176.423 0.935 1
1 97 . 7 1 1 A 16 16 LYS N N 16 117.311 124.142 -6.831 1
1 98 . 7 1 1 A 16 16 LYS H H 16 9.330 8.575 0.755 1
1 99 . 7 1 1 A 16 16 LYS CA C 16 58.072 58.312 -0.240 1
1 100 . 7 1 1 A 16 16 LYS HA H 16 4.136 4.196 -0.060 1
1 101 . 7 1 1 A 16 16 LYS CB C 16 31.984 31.975 0.009 1
1 113 . 7 1 1 A 16 16 LYS C C 16 177.050 177.046 0.004 1
1 114 . 7 1 1 A 17 17 GLU N N 17 119.733 117.861 1.872 1
1 115 . 7 1 1 A 17 17 GLU H H 17 8.535 8.004 0.531 1
1 116 . 7 1 1 A 17 17 GLU CA C 17 58.258 58.168 0.090 1
1 117 . 7 1 1 A 17 17 GLU HA H 17 4.129 4.201 -0.072 1
1 118 . 7 1 1 A 17 17 GLU CB C 17 29.273 30.340 -1.067 1
1 124 . 7 1 1 A 17 17 GLU C C 17 177.315 177.884 -0.569 1
1 125 . 7 1 1 A 18 18 CYS N N 18 129.046 114.956 14.090 1
1 126 . 7 1 1 A 18 18 CYS H H 18 7.834 7.919 -0.085 1
1 127 . 7 1 1 A 18 18 CYS CA C 18 58.321 59.210 -0.889 1
1 128 . 7 1 1 A 18 18 CYS HA H 18 5.122 4.707 0.415 1
1 129 . 7 1 1 A 18 18 CYS CB C 18 32.639 30.456 2.183 1
1 132 . 7 1 1 A 18 18 CYS C C 18 176.226 175.621 0.605 1
1 133 . 7 1 1 A 19 19 GLY N N 19 113.826 110.029 3.797 1
1 134 . 7 1 1 A 19 19 GLY H H 19 8.242 8.336 -0.094 1
1 135 . 7 1 1 A 19 19 GLY CA C 19 46.088 46.273 -0.185 1
1 136 . 7 1 1 A 19 19 GLY HA2 H 19 4.179 4.004 0.175 1
1 137 . 7 1 1 A 19 19 GLY HA3 H 19 3.816 4.017 -0.201 1
1 138 . 7 1 1 A 19 19 GLY C C 19 173.827 173.867 -0.040 1
1 139 . 7 1 1 A 20 20 LYS N N 20 122.964 120.198 2.766 1
1 140 . 7 1 1 A 20 20 LYS H H 20 7.922 7.686 0.236 1
1 141 . 7 1 1 A 20 20 LYS CA C 20 58.100 54.852 3.248 1
1 142 . 7 1 1 A 20 20 LYS HA H 20 3.891 4.813 -0.922 1
1 143 . 7 1 1 A 20 20 LYS CB C 20 33.635 35.211 -1.576 1
1 155 . 7 1 1 A 20 20 LYS C C 20 173.610 174.483 -0.873 1
1 156 . 7 1 1 A 21 21 ALA N N 21 123.854 128.898 -5.044 1
1 157 . 7 1 1 A 21 21 ALA H H 21 7.723 8.721 -0.998 1
1 158 . 7 1 1 A 21 21 ALA CA C 21 50.412 50.420 -0.008 1
1 159 . 7 1 1 A 21 21 ALA HA H 21 5.067 5.613 -0.546 1
1 160 . 7 1 1 A 21 21 ALA CB C 21 22.154 21.049 1.105 1
1 164 . 7 1 1 A 21 21 ALA C C 21 176.234 176.484 -0.250 1
1 165 . 7 1 1 A 22 22 PHE N N 22 116.521 118.788 -2.267 1
1 166 . 7 1 1 A 22 22 PHE H H 22 8.639 8.666 -0.027 1
1 167 . 7 1 1 A 22 22 PHE CA C 22 57.304 56.659 0.645 1
1 168 . 7 1 1 A 22 22 PHE HA H 22 4.745 4.853 -0.108 1
1 169 . 7 1 1 A 22 22 PHE CB C 22 44.191 42.241 1.950 1
1 182 . 7 1 1 A 22 22 PHE C C 22 175.366 176.275 -0.909 1
1 183 . 7 1 1 A 23 23 SER N N 23 115.521 117.503 -1.982 1
1 184 . 7 1 1 A 23 23 SER H H 23 9.661 8.894 0.767 1
1 185 . 7 1 1 A 23 23 SER CA C 23 59.967 61.109 -1.142 1
1 186 . 7 1 1 A 23 23 SER HA H 23 4.679 4.389 0.290 1
1 187 . 7 1 1 A 23 23 SER CB C 23 64.445 63.042 1.403 1
1 190 . 7 1 1 A 23 23 SER C C 23 174.027 174.880 -0.853 1
1 191 . 7 1 1 A 24 24 GLN N N 24 115.852 120.607 -4.755 1
1 192 . 7 1 1 A 24 24 GLN H H 24 7.218 8.207 -0.989 1
1 193 . 7 1 1 A 24 24 GLN CA C 24 53.982 54.437 -0.455 1
1 194 . 7 1 1 A 24 24 GLN HA H 24 4.834 4.844 -0.010 1
1 195 . 7 1 1 A 24 24 GLN CB C 24 32.152 31.352 0.800 1
1 204 . 7 1 1 A 24 24 GLN C C 24 176.620 176.296 0.324 1
1 205 . 7 1 1 A 25 25 THR CA C 25 65.709 65.965 -0.256 1
1 206 . 7 1 1 A 25 25 THR HA H 25 3.211 3.518 -0.307 1
1 207 . 7 1 1 A 25 25 THR CB C 25 67.811 67.998 -0.187 1
1 213 . 7 1 1 A 25 25 THR C C 25 176.919 176.026 0.893 1
1 214 . 7 1 1 A 26 26 THR N N 26 112.897 114.059 -1.162 1
1 215 . 7 1 1 A 26 26 THR H H 26 7.831 8.026 -0.195 1
1 216 . 7 1 1 A 26 26 THR CA C 26 65.080 65.421 -0.341 1
1 217 . 7 1 1 A 26 26 THR HA H 26 3.757 3.958 -0.201 1
1 218 . 7 1 1 A 26 26 THR CB C 26 68.011 67.872 0.139 1
1 224 . 7 1 1 A 26 26 THR C C 26 176.443 176.499 -0.056 1
1 225 . 7 1 1 A 27 27 HIS N N 27 119.551 122.021 -2.470 1
1 226 . 7 1 1 A 27 27 HIS H H 27 6.604 8.270 -1.666 1
1 227 . 7 1 1 A 27 27 HIS CA C 27 56.982 59.719 -2.737 1
1 228 . 7 1 1 A 27 27 HIS HA H 27 4.367 3.964 0.403 1
1 229 . 7 1 1 A 27 27 HIS CB C 27 31.824 29.552 2.272 1
1 236 . 7 1 1 A 27 27 HIS C C 27 178.059 176.172 1.887 1
1 237 . 7 1 1 A 28 28 LEU N N 28 121.872 119.490 2.382 1
1 238 . 7 1 1 A 28 28 LEU H H 28 6.995 7.383 -0.388 1
1 239 . 7 1 1 A 28 28 LEU CA C 28 57.919 58.047 -0.128 1
1 240 . 7 1 1 A 28 28 LEU HA H 28 3.210 2.893 0.317 1
1 241 . 7 1 1 A 28 28 LEU CB C 28 40.630 41.448 -0.818 1
1 254 . 7 1 1 A 28 28 LEU C C 28 177.447 178.427 -0.980 1
1 255 . 7 1 1 A 29 29 ILE N N 29 119.734 120.171 -0.437 1
1 256 . 7 1 1 A 29 29 ILE H H 29 8.121 8.064 0.057 1
1 257 . 7 1 1 A 29 29 ILE CA C 29 64.592 65.372 -0.780 1
1 258 . 7 1 1 A 29 29 ILE HA H 29 3.681 3.487 0.194 1
1 259 . 7 1 1 A 29 29 ILE CB C 29 37.668 37.691 -0.023 1
1 272 . 7 1 1 A 29 29 ILE C C 29 179.288 177.835 1.453 1
1 273 . 7 1 1 A 30 30 GLN N N 30 117.944 117.665 0.279 1
1 274 . 7 1 1 A 30 30 GLN H H 30 7.660 8.381 -0.721 1
1 275 . 7 1 1 A 30 30 GLN CA C 30 58.702 58.671 0.031 1
1 276 . 7 1 1 A 30 30 GLN HA H 30 3.893 4.035 -0.142 1
1 277 . 7 1 1 A 30 30 GLN CB C 30 28.308 29.257 -0.949 1
1 286 . 7 1 1 A 30 30 GLN C C 30 178.753 178.444 0.309 1
1 287 . 7 1 1 A 31 31 HIS N N 31 118.960 121.354 -2.394 1
1 288 . 7 1 1 A 31 31 HIS H H 31 7.639 7.926 -0.287 1
1 289 . 7 1 1 A 31 31 HIS CA C 31 58.828 59.121 -0.293 1
1 290 . 7 1 1 A 31 31 HIS HA H 31 4.183 4.245 -0.062 1
1 291 . 7 1 1 A 31 31 HIS CB C 31 28.483 29.610 -1.127 1
1 298 . 7 1 1 A 31 31 HIS C C 31 175.999 177.235 -1.236 1
1 299 . 7 1 1 A 32 32 GLN N N 32 115.694 118.368 -2.674 1
1 300 . 7 1 1 A 32 32 GLN H H 32 8.201 7.961 0.240 1
1 301 . 7 1 1 A 32 32 GLN CA C 32 59.179 58.143 1.036 1
1 302 . 7 1 1 A 32 32 GLN HA H 32 3.596 4.061 -0.465 1
1 303 . 7 1 1 A 32 32 GLN CB C 32 28.048 28.525 -0.477 1
1 312 . 7 1 1 A 32 32 GLN C C 32 177.337 177.801 -0.464 1
1 313 . 7 1 1 A 33 33 ARG N N 33 117.574 119.523 -1.949 1
1 314 . 7 1 1 A 33 33 ARG H H 33 7.079 7.980 -0.901 1
1 315 . 7 1 1 A 33 33 ARG CA C 33 58.431 58.602 -0.171 1
1 316 . 7 1 1 A 33 33 ARG HA H 33 4.090 4.045 0.045 1
1 317 . 7 1 1 A 33 33 ARG CB C 33 29.971 29.857 0.114 1
1 325 . 7 1 1 A 33 33 ARG C C 33 178.500 178.577 -0.077 1
1 326 . 7 1 1 A 34 34 VAL N N 34 116.091 116.824 -0.733 1
1 327 . 7 1 1 A 34 34 VAL H H 34 7.860 7.356 0.504 1
1 328 . 7 1 1 A 34 34 VAL CA C 34 63.986 65.030 -1.044 1
1 329 . 7 1 1 A 34 34 VAL HA H 34 3.853 3.878 -0.025 1
1 330 . 7 1 1 A 34 34 VAL CB C 34 31.100 31.025 0.075 1
1 340 . 7 1 1 A 34 34 VAL C C 34 177.255 176.486 0.769 1
1 341 . 7 1 1 A 35 35 HIS N N 35 117.210 119.781 -2.571 1
1 342 . 7 1 1 A 35 35 HIS H H 35 7.164 7.443 -0.279 1
1 343 . 7 1 1 A 35 35 HIS CA C 35 55.166 57.990 -2.824 1
1 344 . 7 1 1 A 35 35 HIS HA H 35 4.811 4.464 0.347 1
1 345 . 7 1 1 A 35 35 HIS CB C 35 28.575 30.534 -1.959 1
1 352 . 7 1 1 A 35 35 HIS C C 35 175.753 175.852 -0.099 1
1 353 . 7 1 1 A 36 36 THR N N 36 111.834 113.298 -1.464 1
1 354 . 7 1 1 A 36 36 THR H H 36 7.736 7.422 0.314 1
1 355 . 7 1 1 A 36 36 THR CA C 36 62.474 63.620 -1.146 1
1 356 . 7 1 1 A 36 36 THR HA H 36 4.296 4.454 -0.158 1
1 357 . 7 1 1 A 36 36 THR CB C 36 69.785 70.300 -0.515 1
1 363 . 7 1 1 A 36 36 THR C C 36 175.464 175.432 0.032 1
1 364 . 7 1 1 A 37 37 GLY N N 37 110.633 107.814 2.819 1
1 365 . 7 1 1 A 37 37 GLY H H 37 8.203 7.986 0.217 1
1 366 . 7 1 1 A 37 37 GLY CA C 37 45.294 46.426 -1.132 1
1 367 . 7 1 1 A 37 37 GLY HA2 H 37 3.963 3.954 0.009 1
1 368 . 7 1 1 A 37 37 GLY HA3 H 37 3.898 3.964 -0.066 1
1 369 . 7 1 1 A 37 37 GLY C C 37 174.023 172.944 1.079 1
1 370 . 7 1 1 A 38 38 GLU N N 38 120.541 123.524 -2.983 1
1 371 . 7 1 1 A 38 38 GLU H H 38 8.056 8.269 -0.213 1
1 372 . 7 1 1 A 38 38 GLU CA C 38 56.376 54.822 1.554 1
1 373 . 7 1 1 A 38 38 GLU HA H 38 4.185 5.012 -0.827 1
1 374 . 7 1 1 A 38 38 GLU CB C 38 30.483 33.249 -2.766 1
1 380 . 7 1 1 A 38 38 GLU C C 38 176.222 174.706 1.516 1
1 381 . 7 1 1 A 39 39 LYS N N 39 123.877 123.957 -0.080 1
1 382 . 7 1 1 A 39 39 LYS H H 39 8.382 9.049 -0.667 1
1 383 . 7 1 1 A 39 39 LYS CA C 39 54.071 53.352 0.719 1
1 384 . 7 1 1 A 39 39 LYS HA H 39 4.545 4.990 -0.445 1
1 385 . 7 1 1 A 39 39 LYS CB C 39 32.423 35.541 -3.118 1
1 396 . 7 1 1 A 39 39 LYS C C 39 174.477 173.848 0.629 1
1 397 . 7 1 1 A 40 40 PRO CA C 40 63.142 62.240 0.902 1
1 398 . 7 1 1 A 40 40 PRO HA H 40 4.399 4.716 -0.317 1
1 399 . 7 1 1 A 40 40 PRO CB C 40 32.100 29.356 2.744 1
1 408 . 7 1 1 A 40 40 PRO C C 40 176.965 176.007 0.958 1
1 409 . 7 1 1 A 41 41 SER N N 41 116.545 117.659 -1.114 1
1 410 . 7 1 1 A 41 41 SER H H 41 8.456 8.676 -0.220 1
1 411 . 7 1 1 A 41 41 SER CA C 41 58.303 60.060 -1.757 1
1 412 . 7 1 1 A 41 41 SER HA H 41 4.418 4.515 -0.097 1
1 413 . 7 1 1 A 41 41 SER CB C 41 64.033 64.130 -0.097 1
1 416 . 7 1 1 A 41 41 SER C C 41 174.604 174.695 -0.091 1
1 417 . 7 1 1 A 42 42 GLY CA C 42 44.595 44.171 0.424 1
1 418 . 7 1 1 A 42 42 GLY HA2 H 42 4.043 4.142 -0.099 1
1 419 . 7 1 1 A 42 42 GLY HA3 H 42 4.102 4.144 -0.042 1
1 420 . 7 1 1 A 43 43 PRO CA C 43 63.183 64.279 -1.096 1
1 421 . 7 1 1 A 43 43 PRO HA H 43 4.409 4.504 -0.095 1
1 422 . 7 1 1 A 43 43 PRO CB C 43 32.160 31.927 0.233 1
1 431 . 7 1 1 A 45 45 SER CA C 45 58.358 57.725 0.633 1
1 432 . 7 1 1 A 45 45 SER HA H 45 4.458 4.719 -0.261 1
1 433 . 7 1 1 A 45 45 SER CB C 45 64.035 64.273 -0.238 1
1 435 . 7 1 1 A 45 45 SER C C 45 173.906 174.010 -0.104 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.360 47.507 -2.147 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 3.977 3.827 0.150 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 3.977 3.828 0.149 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.507 174.426 0.081 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.829 110.851 1.978 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.115 7.626 0.489 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.759 60.319 1.440 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.312 4.512 -0.200 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.817 70.397 -0.580 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.249 174.636 0.613 1
1 16 . 8 1 1 A 9 9 GLY N N 9 110.896 109.765 1.131 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.416 8.674 -0.258 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.299 46.774 -1.475 1
1 19 . 8 1 1 A 9 9 GLY HA2 H 9 3.900 3.923 -0.023 1
1 20 . 8 1 1 A 9 9 GLY HA3 H 9 3.900 3.925 -0.025 1
1 21 . 8 1 1 A 9 9 GLY C C 9 174.082 174.319 -0.237 1
1 22 . 8 1 1 A 10 10 GLU N N 10 120.023 123.711 -3.688 1
1 23 . 8 1 1 A 10 10 GLU H H 10 8.184 8.275 -0.091 1
1 24 . 8 1 1 A 10 10 GLU CA C 10 56.936 56.599 0.337 1
1 25 . 8 1 1 A 10 10 GLU HA H 10 4.102 4.259 -0.157 1
1 26 . 8 1 1 A 10 10 GLU CB C 10 30.327 29.928 0.399 1
1 32 . 8 1 1 A 10 10 GLU C C 10 176.503 176.140 0.363 1
1 33 . 8 1 1 A 11 11 LYS N N 11 121.280 121.186 0.094 1
1 34 . 8 1 1 A 11 11 LYS H H 11 8.281 8.375 -0.094 1
1 35 . 8 1 1 A 11 11 LYS CA C 11 53.669 53.112 0.557 1
1 36 . 8 1 1 A 11 11 LYS HA H 11 4.388 4.726 -0.338 1
1 37 . 8 1 1 A 11 11 LYS CB C 11 33.080 33.458 -0.378 1
1 49 . 8 1 1 A 11 11 LYS C C 11 173.641 176.280 -2.639 1
1 50 . 8 1 1 A 12 12 PRO CA C 12 63.359 63.779 -0.420 1
1 51 . 8 1 1 A 12 12 PRO HA H 12 4.181 4.351 -0.170 1
1 52 . 8 1 1 A 12 12 PRO CB C 12 32.233 31.023 1.210 1
1 61 . 8 1 1 A 12 12 PRO C C 12 176.415 175.568 0.847 1
1 62 . 8 1 1 A 13 13 TYR N N 13 118.435 119.723 -1.288 1
1 63 . 8 1 1 A 13 13 TYR H H 13 7.798 7.330 0.468 1
1 64 . 8 1 1 A 13 13 TYR CA C 13 57.003 56.999 0.004 1
1 65 . 8 1 1 A 13 13 TYR HA H 13 4.666 5.160 -0.494 1
1 66 . 8 1 1 A 13 13 TYR CB C 13 38.081 40.309 -2.228 1
1 77 . 8 1 1 A 13 13 TYR C C 13 174.560 174.631 -0.071 1
1 78 . 8 1 1 A 14 14 GLU N N 14 124.052 124.242 -0.190 1
1 79 . 8 1 1 A 14 14 GLU H H 14 8.452 8.908 -0.456 1
1 80 . 8 1 1 A 14 14 GLU CA C 14 55.017 55.520 -0.503 1
1 81 . 8 1 1 A 14 14 GLU HA H 14 4.842 5.171 -0.329 1
1 82 . 8 1 1 A 14 14 GLU CB C 14 32.845 33.730 -0.885 1
1 88 . 8 1 1 A 14 14 GLU C C 14 175.274 175.211 0.063 1
1 89 . 8 1 1 A 15 15 CYS N N 15 126.436 125.189 1.247 1
1 90 . 8 1 1 A 15 15 CYS H H 15 9.246 9.459 -0.213 1
1 91 . 8 1 1 A 15 15 CYS CA C 15 59.316 59.980 -0.664 1
1 92 . 8 1 1 A 15 15 CYS HA H 15 4.516 4.584 -0.068 1
1 93 . 8 1 1 A 15 15 CYS CB C 15 29.534 28.603 0.931 1
1 96 . 8 1 1 A 15 15 CYS C C 15 177.358 176.273 1.085 1
1 97 . 8 1 1 A 16 16 LYS N N 16 117.311 128.480 -11.169 1
1 98 . 8 1 1 A 16 16 LYS H H 16 9.330 8.991 0.339 1
1 99 . 8 1 1 A 16 16 LYS CA C 16 58.072 55.657 2.415 1
1 100 . 8 1 1 A 16 16 LYS HA H 16 4.136 4.600 -0.464 1
1 101 . 8 1 1 A 16 16 LYS CB C 16 31.984 32.911 -0.927 1
1 113 . 8 1 1 A 16 16 LYS C C 16 177.050 177.567 -0.517 1
1 114 . 8 1 1 A 17 17 GLU N N 17 119.733 120.930 -1.197 1
1 115 . 8 1 1 A 17 17 GLU H H 17 8.535 7.882 0.653 1
1 116 . 8 1 1 A 17 17 GLU CA C 17 58.258 56.745 1.513 1
1 117 . 8 1 1 A 17 17 GLU HA H 17 4.129 4.435 -0.306 1
1 118 . 8 1 1 A 17 17 GLU CB C 17 29.273 31.592 -2.319 1
1 124 . 8 1 1 A 17 17 GLU C C 17 177.315 177.814 -0.499 1
1 125 . 8 1 1 A 18 18 CYS N N 18 129.046 115.158 13.888 1
1 126 . 8 1 1 A 18 18 CYS H H 18 7.834 8.013 -0.179 1
1 127 . 8 1 1 A 18 18 CYS CA C 18 58.321 59.400 -1.079 1
1 128 . 8 1 1 A 18 18 CYS HA H 18 5.122 4.755 0.367 1
1 129 . 8 1 1 A 18 18 CYS CB C 18 32.639 30.568 2.071 1
1 132 . 8 1 1 A 18 18 CYS C C 18 176.226 175.769 0.457 1
1 133 . 8 1 1 A 19 19 GLY N N 19 113.826 109.655 4.171 1
1 134 . 8 1 1 A 19 19 GLY H H 19 8.242 8.394 -0.152 1
1 135 . 8 1 1 A 19 19 GLY CA C 19 46.088 45.838 0.250 1
1 136 . 8 1 1 A 19 19 GLY HA2 H 19 4.179 4.027 0.152 1
1 137 . 8 1 1 A 19 19 GLY HA3 H 19 3.816 4.046 -0.230 1
1 138 . 8 1 1 A 19 19 GLY C C 19 173.827 173.716 0.111 1
1 139 . 8 1 1 A 20 20 LYS N N 20 122.964 122.552 0.412 1
1 140 . 8 1 1 A 20 20 LYS H H 20 7.922 8.137 -0.215 1
1 141 . 8 1 1 A 20 20 LYS CA C 20 58.100 55.382 2.718 1
1 142 . 8 1 1 A 20 20 LYS HA H 20 3.891 4.805 -0.914 1
1 143 . 8 1 1 A 20 20 LYS CB C 20 33.635 36.061 -2.426 1
1 155 . 8 1 1 A 20 20 LYS C C 20 173.610 174.184 -0.574 1
1 156 . 8 1 1 A 21 21 ALA N N 21 123.854 128.645 -4.791 1
1 157 . 8 1 1 A 21 21 ALA H H 21 7.723 8.661 -0.938 1
1 158 . 8 1 1 A 21 21 ALA CA C 21 50.412 50.948 -0.536 1
1 159 . 8 1 1 A 21 21 ALA HA H 21 5.067 5.641 -0.574 1
1 160 . 8 1 1 A 21 21 ALA CB C 21 22.154 21.259 0.895 1
1 164 . 8 1 1 A 21 21 ALA C C 21 176.234 176.627 -0.393 1
1 165 . 8 1 1 A 22 22 PHE N N 22 116.521 118.594 -2.073 1
1 166 . 8 1 1 A 22 22 PHE H H 22 8.639 8.600 0.039 1
1 167 . 8 1 1 A 22 22 PHE CA C 22 57.304 56.919 0.385 1
1 168 . 8 1 1 A 22 22 PHE HA H 22 4.745 4.950 -0.205 1
1 169 . 8 1 1 A 22 22 PHE CB C 22 44.191 41.923 2.268 1
1 182 . 8 1 1 A 22 22 PHE C C 22 175.366 175.847 -0.481 1
1 183 . 8 1 1 A 23 23 SER N N 23 115.521 119.298 -3.777 1
1 184 . 8 1 1 A 23 23 SER H H 23 9.661 8.919 0.742 1
1 185 . 8 1 1 A 23 23 SER CA C 23 59.967 61.656 -1.689 1
1 186 . 8 1 1 A 23 23 SER HA H 23 4.679 4.287 0.392 1
1 187 . 8 1 1 A 23 23 SER CB C 23 64.445 63.016 1.429 1
1 190 . 8 1 1 A 23 23 SER C C 23 174.027 174.011 0.016 1
1 191 . 8 1 1 A 24 24 GLN N N 24 115.852 117.428 -1.576 1
1 192 . 8 1 1 A 24 24 GLN H H 24 7.218 7.903 -0.685 1
1 193 . 8 1 1 A 24 24 GLN CA C 24 53.982 54.341 -0.359 1
1 194 . 8 1 1 A 24 24 GLN HA H 24 4.834 4.677 0.157 1
1 195 . 8 1 1 A 24 24 GLN CB C 24 32.152 30.483 1.669 1
1 204 . 8 1 1 A 24 24 GLN C C 24 176.620 176.157 0.463 1
1 205 . 8 1 1 A 25 25 THR CA C 25 65.709 66.340 -0.631 1
1 206 . 8 1 1 A 25 25 THR HA H 25 3.211 3.435 -0.224 1
1 207 . 8 1 1 A 25 25 THR CB C 25 67.811 68.332 -0.521 1
1 213 . 8 1 1 A 25 25 THR C C 25 176.919 176.201 0.718 1
1 214 . 8 1 1 A 26 26 THR N N 26 112.897 114.567 -1.670 1
1 215 . 8 1 1 A 26 26 THR H H 26 7.831 8.166 -0.335 1
1 216 . 8 1 1 A 26 26 THR CA C 26 65.080 64.974 0.106 1
1 217 . 8 1 1 A 26 26 THR HA H 26 3.757 3.945 -0.188 1
1 218 . 8 1 1 A 26 26 THR CB C 26 68.011 68.882 -0.871 1
1 224 . 8 1 1 A 26 26 THR C C 26 176.443 176.574 -0.131 1
1 225 . 8 1 1 A 27 27 HIS N N 27 119.551 119.153 0.398 1
1 226 . 8 1 1 A 27 27 HIS H H 27 6.604 7.860 -1.256 1
1 227 . 8 1 1 A 27 27 HIS CA C 27 56.982 60.144 -3.162 1
1 228 . 8 1 1 A 27 27 HIS HA H 27 4.367 4.229 0.138 1
1 229 . 8 1 1 A 27 27 HIS CB C 27 31.824 30.582 1.242 1
1 236 . 8 1 1 A 27 27 HIS C C 27 178.059 177.644 0.415 1
1 237 . 8 1 1 A 28 28 LEU N N 28 121.872 119.881 1.991 1
1 238 . 8 1 1 A 28 28 LEU H H 28 6.995 7.690 -0.695 1
1 239 . 8 1 1 A 28 28 LEU CA C 28 57.919 57.406 0.513 1
1 240 . 8 1 1 A 28 28 LEU HA H 28 3.210 2.618 0.592 1
1 241 . 8 1 1 A 28 28 LEU CB C 28 40.630 41.465 -0.835 1
1 254 . 8 1 1 A 28 28 LEU C C 28 177.447 178.056 -0.609 1
1 255 . 8 1 1 A 29 29 ILE N N 29 119.734 119.838 -0.104 1
1 256 . 8 1 1 A 29 29 ILE H H 29 8.121 7.970 0.151 1
1 257 . 8 1 1 A 29 29 ILE CA C 29 64.592 65.435 -0.843 1
1 258 . 8 1 1 A 29 29 ILE HA H 29 3.681 3.415 0.266 1
1 259 . 8 1 1 A 29 29 ILE CB C 29 37.668 37.740 -0.072 1
1 272 . 8 1 1 A 29 29 ILE C C 29 179.288 177.708 1.580 1
1 273 . 8 1 1 A 30 30 GLN N N 30 117.944 118.007 -0.063 1
1 274 . 8 1 1 A 30 30 GLN H H 30 7.660 7.570 0.090 1
1 275 . 8 1 1 A 30 30 GLN CA C 30 58.702 59.287 -0.585 1
1 276 . 8 1 1 A 30 30 GLN HA H 30 3.893 3.889 0.004 1
1 277 . 8 1 1 A 30 30 GLN CB C 30 28.308 28.259 0.049 1
1 286 . 8 1 1 A 30 30 GLN C C 30 178.753 178.226 0.527 1
1 287 . 8 1 1 A 31 31 HIS N N 31 118.960 120.320 -1.360 1
1 288 . 8 1 1 A 31 31 HIS H H 31 7.639 7.790 -0.151 1
1 289 . 8 1 1 A 31 31 HIS CA C 31 58.828 59.831 -1.003 1
1 290 . 8 1 1 A 31 31 HIS HA H 31 4.183 4.170 0.013 1
1 291 . 8 1 1 A 31 31 HIS CB C 31 28.483 29.484 -1.001 1
1 298 . 8 1 1 A 31 31 HIS C C 31 175.999 176.923 -0.924 1
1 299 . 8 1 1 A 32 32 GLN N N 32 115.694 117.234 -1.540 1
1 300 . 8 1 1 A 32 32 GLN H H 32 8.201 8.039 0.162 1
1 301 . 8 1 1 A 32 32 GLN CA C 32 59.179 59.021 0.158 1
1 302 . 8 1 1 A 32 32 GLN HA H 32 3.596 3.658 -0.062 1
1 303 . 8 1 1 A 32 32 GLN CB C 32 28.048 28.195 -0.147 1
1 312 . 8 1 1 A 32 32 GLN C C 32 177.337 178.581 -1.244 1
1 313 . 8 1 1 A 33 33 ARG N N 33 117.574 120.502 -2.928 1
1 314 . 8 1 1 A 33 33 ARG H H 33 7.079 7.783 -0.704 1
1 315 . 8 1 1 A 33 33 ARG CA C 33 58.431 59.051 -0.620 1
1 316 . 8 1 1 A 33 33 ARG HA H 33 4.090 3.957 0.133 1
1 317 . 8 1 1 A 33 33 ARG CB C 33 29.971 29.980 -0.009 1
1 325 . 8 1 1 A 33 33 ARG C C 33 178.500 178.284 0.216 1
1 326 . 8 1 1 A 34 34 VAL N N 34 116.091 117.185 -1.094 1
1 327 . 8 1 1 A 34 34 VAL H H 34 7.860 7.952 -0.092 1
1 328 . 8 1 1 A 34 34 VAL CA C 34 63.986 65.458 -1.472 1
1 329 . 8 1 1 A 34 34 VAL HA H 34 3.853 3.690 0.163 1
1 330 . 8 1 1 A 34 34 VAL CB C 34 31.100 30.952 0.148 1
1 340 . 8 1 1 A 34 34 VAL C C 34 177.255 177.752 -0.497 1
1 341 . 8 1 1 A 35 35 HIS N N 35 117.210 120.278 -3.068 1
1 342 . 8 1 1 A 35 35 HIS H H 35 7.164 7.600 -0.436 1
1 343 . 8 1 1 A 35 35 HIS CA C 35 55.166 57.931 -2.765 1
1 344 . 8 1 1 A 35 35 HIS HA H 35 4.811 4.461 0.350 1
1 345 . 8 1 1 A 35 35 HIS CB C 35 28.575 31.307 -2.732 1
1 352 . 8 1 1 A 35 35 HIS C C 35 175.753 175.828 -0.075 1
1 353 . 8 1 1 A 36 36 THR N N 36 111.834 112.842 -1.008 1
1 354 . 8 1 1 A 36 36 THR H H 36 7.736 8.150 -0.414 1
1 355 . 8 1 1 A 36 36 THR CA C 36 62.474 60.623 1.851 1
1 356 . 8 1 1 A 36 36 THR HA H 36 4.296 4.547 -0.251 1
1 357 . 8 1 1 A 36 36 THR CB C 36 69.785 68.956 0.829 1
1 363 . 8 1 1 A 36 36 THR C C 36 175.464 173.520 1.944 1
1 364 . 8 1 1 A 37 37 GLY N N 37 110.633 114.289 -3.656 1
1 365 . 8 1 1 A 37 37 GLY H H 37 8.203 8.819 -0.616 1
1 366 . 8 1 1 A 37 37 GLY CA C 37 45.294 44.571 0.723 1
1 367 . 8 1 1 A 37 37 GLY HA2 H 37 3.963 4.031 -0.068 1
1 368 . 8 1 1 A 37 37 GLY HA3 H 37 3.898 4.037 -0.139 1
1 369 . 8 1 1 A 37 37 GLY C C 37 174.023 173.705 0.318 1
1 370 . 8 1 1 A 38 38 GLU N N 38 120.541 124.514 -3.973 1
1 371 . 8 1 1 A 38 38 GLU H H 38 8.056 8.376 -0.320 1
1 372 . 8 1 1 A 38 38 GLU CA C 38 56.376 55.381 0.995 1
1 373 . 8 1 1 A 38 38 GLU HA H 38 4.185 4.417 -0.232 1
1 374 . 8 1 1 A 38 38 GLU CB C 38 30.483 27.985 2.498 1
1 380 . 8 1 1 A 38 38 GLU C C 38 176.222 175.285 0.937 1
1 381 . 8 1 1 A 39 39 LYS N N 39 123.877 117.301 6.576 1
1 382 . 8 1 1 A 39 39 LYS H H 39 8.382 7.632 0.750 1
1 383 . 8 1 1 A 39 39 LYS CA C 39 54.071 53.434 0.637 1
1 384 . 8 1 1 A 39 39 LYS HA H 39 4.545 4.981 -0.436 1
1 385 . 8 1 1 A 39 39 LYS CB C 39 32.423 35.109 -2.686 1
1 396 . 8 1 1 A 39 39 LYS C C 39 174.477 174.273 0.204 1
1 397 . 8 1 1 A 40 40 PRO CA C 40 63.142 62.730 0.412 1
1 398 . 8 1 1 A 40 40 PRO HA H 40 4.399 4.654 -0.255 1
1 399 . 8 1 1 A 40 40 PRO CB C 40 32.100 32.454 -0.354 1
1 408 . 8 1 1 A 40 40 PRO C C 40 176.965 176.009 0.956 1
1 409 . 8 1 1 A 41 41 SER N N 41 116.545 118.793 -2.248 1
1 410 . 8 1 1 A 41 41 SER H H 41 8.456 8.742 -0.286 1
1 411 . 8 1 1 A 41 41 SER CA C 41 58.303 57.039 1.264 1
1 412 . 8 1 1 A 41 41 SER HA H 41 4.418 4.813 -0.395 1
1 413 . 8 1 1 A 41 41 SER CB C 41 64.033 63.281 0.752 1
1 416 . 8 1 1 A 41 41 SER C C 41 174.604 174.357 0.247 1
1 417 . 8 1 1 A 42 42 GLY CA C 42 44.595 44.900 -0.305 1
1 418 . 8 1 1 A 42 42 GLY HA2 H 42 4.043 4.180 -0.137 1
1 419 . 8 1 1 A 42 42 GLY HA3 H 42 4.102 4.180 -0.078 1
1 420 . 8 1 1 A 43 43 PRO CA C 43 63.183 64.736 -1.553 1
1 421 . 8 1 1 A 43 43 PRO HA H 43 4.409 4.464 -0.055 1
1 422 . 8 1 1 A 43 43 PRO CB C 43 32.160 32.105 0.055 1
1 431 . 8 1 1 A 45 45 SER CA C 45 58.358 57.585 0.773 1
1 432 . 8 1 1 A 45 45 SER HA H 45 4.458 4.896 -0.438 1
1 433 . 8 1 1 A 45 45 SER CB C 45 64.035 63.544 0.491 1
1 435 . 8 1 1 A 45 45 SER C C 45 173.906 174.831 -0.925 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.360 45.762 -0.402 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 3.977 4.133 -0.156 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 3.977 4.133 -0.156 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.507 174.162 0.345 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.829 112.967 -0.138 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.115 7.652 0.463 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.759 61.513 0.246 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.312 4.452 -0.140 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.817 68.530 1.287 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.249 173.718 1.531 1
1 16 . 9 1 1 A 9 9 GLY N N 9 110.896 110.132 0.764 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.416 8.018 0.398 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.299 45.126 0.173 1
1 19 . 9 1 1 A 9 9 GLY HA2 H 9 3.900 4.079 -0.179 1
1 20 . 9 1 1 A 9 9 GLY HA3 H 9 3.900 4.082 -0.182 1
1 21 . 9 1 1 A 9 9 GLY C C 9 174.082 173.304 0.778 1
1 22 . 9 1 1 A 10 10 GLU N N 10 120.023 122.451 -2.428 1
1 23 . 9 1 1 A 10 10 GLU H H 10 8.184 8.770 -0.586 1
1 24 . 9 1 1 A 10 10 GLU CA C 10 56.936 55.263 1.673 1
1 25 . 9 1 1 A 10 10 GLU HA H 10 4.102 4.977 -0.875 1
1 26 . 9 1 1 A 10 10 GLU CB C 10 30.327 31.718 -1.391 1
1 32 . 9 1 1 A 10 10 GLU C C 10 176.503 176.200 0.303 1
1 33 . 9 1 1 A 11 11 LYS N N 11 121.280 122.311 -1.031 1
1 34 . 9 1 1 A 11 11 LYS H H 11 8.281 8.784 -0.503 1
1 35 . 9 1 1 A 11 11 LYS CA C 11 53.669 54.236 -0.567 1
1 36 . 9 1 1 A 11 11 LYS HA H 11 4.388 4.446 -0.058 1
1 37 . 9 1 1 A 11 11 LYS CB C 11 33.080 31.815 1.265 1
1 49 . 9 1 1 A 11 11 LYS C C 11 173.641 176.245 -2.604 1
1 50 . 9 1 1 A 12 12 PRO CA C 12 63.359 63.775 -0.416 1
1 51 . 9 1 1 A 12 12 PRO HA H 12 4.181 4.306 -0.125 1
1 52 . 9 1 1 A 12 12 PRO CB C 12 32.233 31.147 1.086 1
1 61 . 9 1 1 A 12 12 PRO C C 12 176.415 175.563 0.852 1
1 62 . 9 1 1 A 13 13 TYR N N 13 118.435 119.107 -0.672 1
1 63 . 9 1 1 A 13 13 TYR H H 13 7.798 7.262 0.536 1
1 64 . 9 1 1 A 13 13 TYR CA C 13 57.003 56.961 0.042 1
1 65 . 9 1 1 A 13 13 TYR HA H 13 4.666 5.369 -0.703 1
1 66 . 9 1 1 A 13 13 TYR CB C 13 38.081 41.010 -2.929 1
1 77 . 9 1 1 A 13 13 TYR C C 13 174.560 174.661 -0.101 1
1 78 . 9 1 1 A 14 14 GLU N N 14 124.052 124.096 -0.044 1
1 79 . 9 1 1 A 14 14 GLU H H 14 8.452 9.017 -0.565 1
1 80 . 9 1 1 A 14 14 GLU CA C 14 55.017 55.500 -0.483 1
1 81 . 9 1 1 A 14 14 GLU HA H 14 4.842 5.243 -0.401 1
1 82 . 9 1 1 A 14 14 GLU CB C 14 32.845 34.200 -1.355 1
1 88 . 9 1 1 A 14 14 GLU C C 14 175.274 174.319 0.955 1
1 89 . 9 1 1 A 15 15 CYS N N 15 126.436 123.819 2.617 1
1 90 . 9 1 1 A 15 15 CYS H H 15 9.246 8.716 0.530 1
1 91 . 9 1 1 A 15 15 CYS CA C 15 59.316 57.817 1.499 1
1 92 . 9 1 1 A 15 15 CYS HA H 15 4.516 4.818 -0.302 1
1 93 . 9 1 1 A 15 15 CYS CB C 15 29.534 28.658 0.876 1
1 96 . 9 1 1 A 15 15 CYS C C 15 177.358 175.947 1.411 1
1 97 . 9 1 1 A 16 16 LYS N N 16 117.311 127.691 -10.380 1
1 98 . 9 1 1 A 16 16 LYS H H 16 9.330 9.001 0.329 1
1 99 . 9 1 1 A 16 16 LYS CA C 16 58.072 58.824 -0.752 1
1 100 . 9 1 1 A 16 16 LYS HA H 16 4.136 4.195 -0.059 1
1 101 . 9 1 1 A 16 16 LYS CB C 16 31.984 32.169 -0.185 1
1 113 . 9 1 1 A 16 16 LYS C C 16 177.050 178.451 -1.401 1
1 114 . 9 1 1 A 17 17 GLU N N 17 119.733 118.558 1.175 1
1 115 . 9 1 1 A 17 17 GLU H H 17 8.535 8.143 0.392 1
1 116 . 9 1 1 A 17 17 GLU CA C 17 58.258 58.673 -0.415 1
1 117 . 9 1 1 A 17 17 GLU HA H 17 4.129 3.929 0.200 1
1 118 . 9 1 1 A 17 17 GLU CB C 17 29.273 29.036 0.237 1
1 124 . 9 1 1 A 17 17 GLU C C 17 177.315 178.025 -0.710 1
1 125 . 9 1 1 A 18 18 CYS N N 18 129.046 115.215 13.831 1
1 126 . 9 1 1 A 18 18 CYS H H 18 7.834 7.874 -0.040 1
1 127 . 9 1 1 A 18 18 CYS CA C 18 58.321 59.644 -1.323 1
1 128 . 9 1 1 A 18 18 CYS HA H 18 5.122 4.631 0.491 1
1 129 . 9 1 1 A 18 18 CYS CB C 18 32.639 30.028 2.611 1
1 132 . 9 1 1 A 18 18 CYS C C 18 176.226 175.270 0.956 1
1 133 . 9 1 1 A 19 19 GLY N N 19 113.826 109.959 3.867 1
1 134 . 9 1 1 A 19 19 GLY H H 19 8.242 8.272 -0.030 1
1 135 . 9 1 1 A 19 19 GLY CA C 19 46.088 46.181 -0.093 1
1 136 . 9 1 1 A 19 19 GLY HA2 H 19 4.179 3.986 0.193 1
1 137 . 9 1 1 A 19 19 GLY HA3 H 19 3.816 3.994 -0.178 1
1 138 . 9 1 1 A 19 19 GLY C C 19 173.827 173.880 -0.053 1
1 139 . 9 1 1 A 20 20 LYS N N 20 122.964 120.159 2.805 1
1 140 . 9 1 1 A 20 20 LYS H H 20 7.922 7.720 0.202 1
1 141 . 9 1 1 A 20 20 LYS CA C 20 58.100 55.054 3.046 1
1 142 . 9 1 1 A 20 20 LYS HA H 20 3.891 4.841 -0.950 1
1 143 . 9 1 1 A 20 20 LYS CB C 20 33.635 35.691 -2.056 1
1 155 . 9 1 1 A 20 20 LYS C C 20 173.610 174.266 -0.656 1
1 156 . 9 1 1 A 21 21 ALA N N 21 123.854 129.177 -5.323 1
1 157 . 9 1 1 A 21 21 ALA H H 21 7.723 8.779 -1.056 1
1 158 . 9 1 1 A 21 21 ALA CA C 21 50.412 50.546 -0.134 1
1 159 . 9 1 1 A 21 21 ALA HA H 21 5.067 5.615 -0.548 1
1 160 . 9 1 1 A 21 21 ALA CB C 21 22.154 21.602 0.552 1
1 164 . 9 1 1 A 21 21 ALA C C 21 176.234 176.436 -0.202 1
1 165 . 9 1 1 A 22 22 PHE N N 22 116.521 119.173 -2.652 1
1 166 . 9 1 1 A 22 22 PHE H H 22 8.639 8.716 -0.077 1
1 167 . 9 1 1 A 22 22 PHE CA C 22 57.304 56.801 0.503 1
1 168 . 9 1 1 A 22 22 PHE HA H 22 4.745 4.954 -0.209 1
1 169 . 9 1 1 A 22 22 PHE CB C 22 44.191 42.472 1.719 1
1 182 . 9 1 1 A 22 22 PHE C C 22 175.366 176.023 -0.657 1
1 183 . 9 1 1 A 23 23 SER N N 23 115.521 118.391 -2.870 1
1 184 . 9 1 1 A 23 23 SER H H 23 9.661 9.055 0.606 1
1 185 . 9 1 1 A 23 23 SER CA C 23 59.967 61.666 -1.699 1
1 186 . 9 1 1 A 23 23 SER HA H 23 4.679 4.445 0.234 1
1 187 . 9 1 1 A 23 23 SER CB C 23 64.445 63.137 1.308 1
1 190 . 9 1 1 A 23 23 SER C C 23 174.027 173.982 0.045 1
1 191 . 9 1 1 A 24 24 GLN N N 24 115.852 117.331 -1.479 1
1 192 . 9 1 1 A 24 24 GLN H H 24 7.218 8.265 -1.047 1
1 193 . 9 1 1 A 24 24 GLN CA C 24 53.982 54.403 -0.421 1
1 194 . 9 1 1 A 24 24 GLN HA H 24 4.834 4.802 0.032 1
1 195 . 9 1 1 A 24 24 GLN CB C 24 32.152 31.161 0.991 1
1 204 . 9 1 1 A 24 24 GLN C C 24 176.620 176.399 0.221 1
1 205 . 9 1 1 A 25 25 THR CA C 25 65.709 66.136 -0.427 1
1 206 . 9 1 1 A 25 25 THR HA H 25 3.211 3.471 -0.260 1
1 207 . 9 1 1 A 25 25 THR CB C 25 67.811 68.312 -0.501 1
1 213 . 9 1 1 A 25 25 THR C C 25 176.919 175.915 1.004 1
1 214 . 9 1 1 A 26 26 THR N N 26 112.897 112.311 0.586 1
1 215 . 9 1 1 A 26 26 THR H H 26 7.831 7.955 -0.124 1
1 216 . 9 1 1 A 26 26 THR CA C 26 65.080 65.674 -0.594 1
1 217 . 9 1 1 A 26 26 THR HA H 26 3.757 4.022 -0.265 1
1 218 . 9 1 1 A 26 26 THR CB C 26 68.011 68.091 -0.080 1
1 224 . 9 1 1 A 26 26 THR C C 26 176.443 177.268 -0.825 1
1 225 . 9 1 1 A 27 27 HIS N N 27 119.551 119.921 -0.370 1
1 226 . 9 1 1 A 27 27 HIS H H 27 6.604 7.638 -1.034 1
1 227 . 9 1 1 A 27 27 HIS CA C 27 56.982 59.282 -2.300 1
1 228 . 9 1 1 A 27 27 HIS HA H 27 4.367 4.195 0.172 1
1 229 . 9 1 1 A 27 27 HIS CB C 27 31.824 29.831 1.993 1
1 236 . 9 1 1 A 27 27 HIS C C 27 178.059 177.447 0.612 1
1 237 . 9 1 1 A 28 28 LEU N N 28 121.872 119.894 1.978 1
1 238 . 9 1 1 A 28 28 LEU H H 28 6.995 7.864 -0.869 1
1 239 . 9 1 1 A 28 28 LEU CA C 28 57.919 57.636 0.283 1
1 240 . 9 1 1 A 28 28 LEU HA H 28 3.210 3.233 -0.023 1
1 241 . 9 1 1 A 28 28 LEU CB C 28 40.630 41.692 -1.062 1
1 254 . 9 1 1 A 28 28 LEU C C 28 177.447 178.560 -1.113 1
1 255 . 9 1 1 A 29 29 ILE N N 29 119.734 119.881 -0.147 1
1 256 . 9 1 1 A 29 29 ILE H H 29 8.121 8.099 0.022 1
1 257 . 9 1 1 A 29 29 ILE CA C 29 64.592 65.833 -1.241 1
1 258 . 9 1 1 A 29 29 ILE HA H 29 3.681 3.575 0.106 1
1 259 . 9 1 1 A 29 29 ILE CB C 29 37.668 37.699 -0.031 1
1 272 . 9 1 1 A 29 29 ILE C C 29 179.288 177.929 1.359 1
1 273 . 9 1 1 A 30 30 GLN N N 30 117.944 118.239 -0.295 1
1 274 . 9 1 1 A 30 30 GLN H H 30 7.660 7.790 -0.130 1
1 275 . 9 1 1 A 30 30 GLN CA C 30 58.702 59.342 -0.640 1
1 276 . 9 1 1 A 30 30 GLN HA H 30 3.893 3.968 -0.075 1
1 277 . 9 1 1 A 30 30 GLN CB C 30 28.308 29.200 -0.892 1
1 286 . 9 1 1 A 30 30 GLN C C 30 178.753 178.246 0.507 1
1 287 . 9 1 1 A 31 31 HIS N N 31 118.960 120.247 -1.287 1
1 288 . 9 1 1 A 31 31 HIS H H 31 7.639 7.851 -0.212 1
1 289 . 9 1 1 A 31 31 HIS CA C 31 58.828 60.020 -1.192 1
1 290 . 9 1 1 A 31 31 HIS HA H 31 4.183 4.128 0.055 1
1 291 . 9 1 1 A 31 31 HIS CB C 31 28.483 29.161 -0.678 1
1 298 . 9 1 1 A 31 31 HIS C C 31 175.999 176.919 -0.920 1
1 299 . 9 1 1 A 32 32 GLN N N 32 115.694 118.177 -2.483 1
1 300 . 9 1 1 A 32 32 GLN H H 32 8.201 8.589 -0.388 1
1 301 . 9 1 1 A 32 32 GLN CA C 32 59.179 59.071 0.108 1
1 302 . 9 1 1 A 32 32 GLN HA H 32 3.596 3.984 -0.388 1
1 303 . 9 1 1 A 32 32 GLN CB C 32 28.048 28.398 -0.350 1
1 312 . 9 1 1 A 32 32 GLN C C 32 177.337 178.489 -1.152 1
1 313 . 9 1 1 A 33 33 ARG N N 33 117.574 120.378 -2.804 1
1 314 . 9 1 1 A 33 33 ARG H H 33 7.079 7.990 -0.911 1
1 315 . 9 1 1 A 33 33 ARG CA C 33 58.431 59.022 -0.591 1
1 316 . 9 1 1 A 33 33 ARG HA H 33 4.090 4.052 0.038 1
1 317 . 9 1 1 A 33 33 ARG CB C 33 29.971 30.008 -0.037 1
1 325 . 9 1 1 A 33 33 ARG C C 33 178.500 178.921 -0.421 1
1 326 . 9 1 1 A 34 34 VAL N N 34 116.091 116.567 -0.476 1
1 327 . 9 1 1 A 34 34 VAL H H 34 7.860 7.798 0.062 1
1 328 . 9 1 1 A 34 34 VAL CA C 34 63.986 64.186 -0.200 1
1 329 . 9 1 1 A 34 34 VAL HA H 34 3.853 3.819 0.034 1
1 330 . 9 1 1 A 34 34 VAL CB C 34 31.100 31.093 0.007 1
1 340 . 9 1 1 A 34 34 VAL C C 34 177.255 176.477 0.778 1
1 341 . 9 1 1 A 35 35 HIS N N 35 117.210 119.693 -2.483 1
1 342 . 9 1 1 A 35 35 HIS H H 35 7.164 8.185 -1.021 1
1 343 . 9 1 1 A 35 35 HIS CA C 35 55.166 55.355 -0.189 1
1 344 . 9 1 1 A 35 35 HIS HA H 35 4.811 4.794 0.017 1
1 345 . 9 1 1 A 35 35 HIS CB C 35 28.575 29.816 -1.241 1
1 352 . 9 1 1 A 35 35 HIS C C 35 175.753 175.461 0.292 1
1 353 . 9 1 1 A 36 36 THR N N 36 111.834 109.432 2.402 1
1 354 . 9 1 1 A 36 36 THR H H 36 7.736 7.705 0.031 1
1 355 . 9 1 1 A 36 36 THR CA C 36 62.474 62.708 -0.234 1
1 356 . 9 1 1 A 36 36 THR HA H 36 4.296 4.443 -0.147 1
1 357 . 9 1 1 A 36 36 THR CB C 36 69.785 70.068 -0.283 1
1 363 . 9 1 1 A 36 36 THR C C 36 175.464 175.339 0.125 1
1 364 . 9 1 1 A 37 37 GLY N N 37 110.633 110.498 0.135 1
1 365 . 9 1 1 A 37 37 GLY H H 37 8.203 7.237 0.966 1
1 366 . 9 1 1 A 37 37 GLY CA C 37 45.294 45.556 -0.262 1
1 367 . 9 1 1 A 37 37 GLY HA2 H 37 3.963 4.032 -0.069 1
1 368 . 9 1 1 A 37 37 GLY HA3 H 37 3.898 4.038 -0.140 1
1 369 . 9 1 1 A 37 37 GLY C C 37 174.023 173.406 0.617 1
1 370 . 9 1 1 A 38 38 GLU N N 38 120.541 119.631 0.910 1
1 371 . 9 1 1 A 38 38 GLU H H 38 8.056 8.329 -0.273 1
1 372 . 9 1 1 A 38 38 GLU CA C 38 56.376 56.285 0.091 1
1 373 . 9 1 1 A 38 38 GLU HA H 38 4.185 4.534 -0.349 1
1 374 . 9 1 1 A 38 38 GLU CB C 38 30.483 30.166 0.317 1
1 380 . 9 1 1 A 38 38 GLU C C 38 176.222 176.068 0.154 1
1 381 . 9 1 1 A 39 39 LYS N N 39 123.877 121.291 2.586 1
1 382 . 9 1 1 A 39 39 LYS H H 39 8.382 8.463 -0.081 1
1 383 . 9 1 1 A 39 39 LYS CA C 39 54.071 53.148 0.923 1
1 384 . 9 1 1 A 39 39 LYS HA H 39 4.545 4.744 -0.199 1
1 385 . 9 1 1 A 39 39 LYS CB C 39 32.423 35.802 -3.379 1
1 396 . 9 1 1 A 39 39 LYS C C 39 174.477 176.074 -1.597 1
1 397 . 9 1 1 A 40 40 PRO CA C 40 63.142 63.981 -0.839 1
1 398 . 9 1 1 A 40 40 PRO HA H 40 4.399 4.556 -0.157 1
1 399 . 9 1 1 A 40 40 PRO CB C 40 32.100 31.678 0.422 1
1 408 . 9 1 1 A 40 40 PRO C C 40 176.965 176.125 0.840 1
1 409 . 9 1 1 A 41 41 SER N N 41 116.545 114.966 1.579 1
1 410 . 9 1 1 A 41 41 SER H H 41 8.456 7.699 0.757 1
1 411 . 9 1 1 A 41 41 SER CA C 41 58.303 59.673 -1.370 1
1 412 . 9 1 1 A 41 41 SER HA H 41 4.418 4.215 0.203 1
1 413 . 9 1 1 A 41 41 SER CB C 41 64.033 63.532 0.501 1
1 416 . 9 1 1 A 41 41 SER C C 41 174.604 174.287 0.317 1
1 417 . 9 1 1 A 42 42 GLY CA C 42 44.595 45.821 -1.226 1
1 418 . 9 1 1 A 42 42 GLY HA2 H 42 4.043 4.214 -0.171 1
1 419 . 9 1 1 A 42 42 GLY HA3 H 42 4.102 4.215 -0.113 1
1 420 . 9 1 1 A 43 43 PRO CA C 43 63.183 64.741 -1.558 1
1 421 . 9 1 1 A 43 43 PRO HA H 43 4.409 4.473 -0.064 1
1 422 . 9 1 1 A 43 43 PRO CB C 43 32.160 32.099 0.061 1
1 431 . 9 1 1 A 45 45 SER CA C 45 58.358 57.974 0.384 1
1 432 . 9 1 1 A 45 45 SER HA H 45 4.458 4.800 -0.342 1
1 433 . 9 1 1 A 45 45 SER CB C 45 64.035 65.284 -1.249 1
1 435 . 9 1 1 A 45 45 SER C C 45 173.906 175.194 -1.288 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.360 46.898 -1.538 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 3.977 3.826 0.151 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 3.977 3.826 0.151 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.507 174.835 -0.328 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.829 114.997 -2.168 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.115 7.812 0.303 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.759 63.770 -2.011 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.312 3.977 0.335 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.817 68.645 1.172 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.249 175.272 -0.023 1
1 16 . 10 1 1 A 9 9 GLY N N 9 110.896 115.903 -5.007 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.416 8.721 -0.305 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.299 45.500 -0.201 1
1 19 . 10 1 1 A 9 9 GLY HA2 H 9 3.900 4.001 -0.101 1
1 20 . 10 1 1 A 9 9 GLY HA3 H 9 3.900 4.002 -0.102 1
1 21 . 10 1 1 A 9 9 GLY C C 9 174.082 174.658 -0.576 1
1 22 . 10 1 1 A 10 10 GLU N N 10 120.023 120.741 -0.718 1
1 23 . 10 1 1 A 10 10 GLU H H 10 8.184 7.983 0.201 1
1 24 . 10 1 1 A 10 10 GLU CA C 10 56.936 55.232 1.704 1
1 25 . 10 1 1 A 10 10 GLU HA H 10 4.102 4.483 -0.381 1
1 26 . 10 1 1 A 10 10 GLU CB C 10 30.327 30.986 -0.659 1
1 32 . 10 1 1 A 10 10 GLU C C 10 176.503 176.144 0.359 1
1 33 . 10 1 1 A 11 11 LYS N N 11 121.280 124.901 -3.621 1
1 34 . 10 1 1 A 11 11 LYS H H 11 8.281 8.476 -0.195 1
1 35 . 10 1 1 A 11 11 LYS CA C 11 53.669 55.078 -1.409 1
1 36 . 10 1 1 A 11 11 LYS HA H 11 4.388 4.192 0.196 1
1 37 . 10 1 1 A 11 11 LYS CB C 11 33.080 31.823 1.257 1
1 49 . 10 1 1 A 11 11 LYS C C 11 173.641 176.402 -2.761 1
1 50 . 10 1 1 A 12 12 PRO CA C 12 63.359 63.827 -0.468 1
1 51 . 10 1 1 A 12 12 PRO HA H 12 4.181 4.339 -0.158 1
1 52 . 10 1 1 A 12 12 PRO CB C 12 32.233 31.349 0.884 1
1 61 . 10 1 1 A 12 12 PRO C C 12 176.415 175.645 0.770 1
1 62 . 10 1 1 A 13 13 TYR N N 13 118.435 119.618 -1.183 1
1 63 . 10 1 1 A 13 13 TYR H H 13 7.798 7.175 0.623 1
1 64 . 10 1 1 A 13 13 TYR CA C 13 57.003 56.867 0.136 1
1 65 . 10 1 1 A 13 13 TYR HA H 13 4.666 5.124 -0.458 1
1 66 . 10 1 1 A 13 13 TYR CB C 13 38.081 39.740 -1.659 1
1 77 . 10 1 1 A 13 13 TYR C C 13 174.560 174.473 0.087 1
1 78 . 10 1 1 A 14 14 GLU N N 14 124.052 124.916 -0.864 1
1 79 . 10 1 1 A 14 14 GLU H H 14 8.452 9.154 -0.702 1
1 80 . 10 1 1 A 14 14 GLU CA C 14 55.017 54.883 0.134 1
1 81 . 10 1 1 A 14 14 GLU HA H 14 4.842 5.475 -0.633 1
1 82 . 10 1 1 A 14 14 GLU CB C 14 32.845 33.743 -0.898 1
1 88 . 10 1 1 A 14 14 GLU C C 14 175.274 174.532 0.742 1
1 89 . 10 1 1 A 15 15 CYS N N 15 126.436 124.346 2.090 1
1 90 . 10 1 1 A 15 15 CYS H H 15 9.246 8.810 0.436 1
1 91 . 10 1 1 A 15 15 CYS CA C 15 59.316 57.936 1.380 1
1 92 . 10 1 1 A 15 15 CYS HA H 15 4.516 4.656 -0.140 1
1 93 . 10 1 1 A 15 15 CYS CB C 15 29.534 26.992 2.542 1
1 96 . 10 1 1 A 15 15 CYS C C 15 177.358 175.798 1.560 1
1 97 . 10 1 1 A 16 16 LYS N N 16 117.311 125.951 -8.640 1
1 98 . 10 1 1 A 16 16 LYS H H 16 9.330 7.976 1.354 1
1 99 . 10 1 1 A 16 16 LYS CA C 16 58.072 59.141 -1.069 1
1 100 . 10 1 1 A 16 16 LYS HA H 16 4.136 4.019 0.117 1
1 101 . 10 1 1 A 16 16 LYS CB C 16 31.984 31.787 0.197 1
1 113 . 10 1 1 A 16 16 LYS C C 16 177.050 178.257 -1.207 1
1 114 . 10 1 1 A 17 17 GLU N N 17 119.733 118.901 0.832 1
1 115 . 10 1 1 A 17 17 GLU H H 17 8.535 8.245 0.290 1
1 116 . 10 1 1 A 17 17 GLU CA C 17 58.258 58.737 -0.479 1
1 117 . 10 1 1 A 17 17 GLU HA H 17 4.129 3.950 0.179 1
1 118 . 10 1 1 A 17 17 GLU CB C 17 29.273 29.015 0.258 1
1 124 . 10 1 1 A 17 17 GLU C C 17 177.315 178.098 -0.783 1
1 125 . 10 1 1 A 18 18 CYS N N 18 129.046 115.328 13.718 1
1 126 . 10 1 1 A 18 18 CYS H H 18 7.834 7.925 -0.091 1
1 127 . 10 1 1 A 18 18 CYS CA C 18 58.321 59.616 -1.295 1
1 128 . 10 1 1 A 18 18 CYS HA H 18 5.122 4.698 0.424 1
1 129 . 10 1 1 A 18 18 CYS CB C 18 32.639 30.108 2.531 1
1 132 . 10 1 1 A 18 18 CYS C C 18 176.226 175.356 0.870 1
1 133 . 10 1 1 A 19 19 GLY N N 19 113.826 110.031 3.795 1
1 134 . 10 1 1 A 19 19 GLY H H 19 8.242 8.697 -0.455 1
1 135 . 10 1 1 A 19 19 GLY CA C 19 46.088 46.177 -0.089 1
1 136 . 10 1 1 A 19 19 GLY HA2 H 19 4.179 3.990 0.189 1
1 137 . 10 1 1 A 19 19 GLY HA3 H 19 3.816 3.997 -0.181 1
1 138 . 10 1 1 A 19 19 GLY C C 19 173.827 173.679 0.148 1
1 139 . 10 1 1 A 20 20 LYS N N 20 122.964 119.909 3.055 1
1 140 . 10 1 1 A 20 20 LYS H H 20 7.922 7.620 0.302 1
1 141 . 10 1 1 A 20 20 LYS CA C 20 58.100 55.053 3.047 1
1 142 . 10 1 1 A 20 20 LYS HA H 20 3.891 4.843 -0.952 1
1 143 . 10 1 1 A 20 20 LYS CB C 20 33.635 35.480 -1.845 1
1 155 . 10 1 1 A 20 20 LYS C C 20 173.610 174.258 -0.648 1
1 156 . 10 1 1 A 21 21 ALA N N 21 123.854 128.817 -4.963 1
1 157 . 10 1 1 A 21 21 ALA H H 21 7.723 8.742 -1.019 1
1 158 . 10 1 1 A 21 21 ALA CA C 21 50.412 50.449 -0.037 1
1 159 . 10 1 1 A 21 21 ALA HA H 21 5.067 5.725 -0.658 1
1 160 . 10 1 1 A 21 21 ALA CB C 21 22.154 21.611 0.543 1
1 164 . 10 1 1 A 21 21 ALA C C 21 176.234 176.420 -0.186 1
1 165 . 10 1 1 A 22 22 PHE N N 22 116.521 118.128 -1.607 1
1 166 . 10 1 1 A 22 22 PHE H H 22 8.639 8.809 -0.170 1
1 167 . 10 1 1 A 22 22 PHE CA C 22 57.304 56.538 0.766 1
1 168 . 10 1 1 A 22 22 PHE HA H 22 4.745 4.862 -0.117 1
1 169 . 10 1 1 A 22 22 PHE CB C 22 44.191 42.666 1.525 1
1 182 . 10 1 1 A 22 22 PHE C C 22 175.366 176.293 -0.927 1
1 183 . 10 1 1 A 23 23 SER N N 23 115.521 115.671 -0.150 1
1 184 . 10 1 1 A 23 23 SER H H 23 9.661 8.875 0.786 1
1 185 . 10 1 1 A 23 23 SER CA C 23 59.967 60.066 -0.099 1
1 186 . 10 1 1 A 23 23 SER HA H 23 4.679 4.434 0.245 1
1 187 . 10 1 1 A 23 23 SER CB C 23 64.445 63.547 0.898 1
1 190 . 10 1 1 A 23 23 SER C C 23 174.027 174.426 -0.399 1
1 191 . 10 1 1 A 24 24 GLN N N 24 115.852 120.649 -4.797 1
1 192 . 10 1 1 A 24 24 GLN H H 24 7.218 7.976 -0.758 1
1 193 . 10 1 1 A 24 24 GLN CA C 24 53.982 54.484 -0.502 1
1 194 . 10 1 1 A 24 24 GLN HA H 24 4.834 4.819 0.015 1
1 195 . 10 1 1 A 24 24 GLN CB C 24 32.152 31.744 0.408 1
1 204 . 10 1 1 A 24 24 GLN C C 24 176.620 176.103 0.517 1
1 205 . 10 1 1 A 25 25 THR CA C 25 65.709 65.912 -0.203 1
1 206 . 10 1 1 A 25 25 THR HA H 25 3.211 3.546 -0.335 1
1 207 . 10 1 1 A 25 25 THR CB C 25 67.811 67.963 -0.152 1
1 213 . 10 1 1 A 25 25 THR C C 25 176.919 176.113 0.806 1
1 214 . 10 1 1 A 26 26 THR N N 26 112.897 114.029 -1.132 1
1 215 . 10 1 1 A 26 26 THR H H 26 7.831 8.056 -0.225 1
1 216 . 10 1 1 A 26 26 THR CA C 26 65.080 65.748 -0.668 1
1 217 . 10 1 1 A 26 26 THR HA H 26 3.757 4.004 -0.247 1
1 218 . 10 1 1 A 26 26 THR CB C 26 68.011 68.054 -0.043 1
1 224 . 10 1 1 A 26 26 THR C C 26 176.443 176.501 -0.058 1
1 225 . 10 1 1 A 27 27 HIS N N 27 119.551 122.267 -2.716 1
1 226 . 10 1 1 A 27 27 HIS H H 27 6.604 8.037 -1.433 1
1 227 . 10 1 1 A 27 27 HIS CA C 27 56.982 59.923 -2.941 1
1 228 . 10 1 1 A 27 27 HIS HA H 27 4.367 4.078 0.289 1
1 229 . 10 1 1 A 27 27 HIS CB C 27 31.824 29.640 2.184 1
1 236 . 10 1 1 A 27 27 HIS C C 27 178.059 176.734 1.325 1
1 237 . 10 1 1 A 28 28 LEU N N 28 121.872 119.571 2.301 1
1 238 . 10 1 1 A 28 28 LEU H H 28 6.995 7.917 -0.922 1
1 239 . 10 1 1 A 28 28 LEU CA C 28 57.919 56.864 1.055 1
1 240 . 10 1 1 A 28 28 LEU HA H 28 3.210 2.335 0.875 1
1 241 . 10 1 1 A 28 28 LEU CB C 28 40.630 41.487 -0.857 1
1 254 . 10 1 1 A 28 28 LEU C C 28 177.447 178.615 -1.168 1
1 255 . 10 1 1 A 29 29 ILE N N 29 119.734 118.882 0.852 1
1 256 . 10 1 1 A 29 29 ILE H H 29 8.121 7.622 0.499 1
1 257 . 10 1 1 A 29 29 ILE CA C 29 64.592 64.203 0.389 1
1 258 . 10 1 1 A 29 29 ILE HA H 29 3.681 3.658 0.023 1
1 259 . 10 1 1 A 29 29 ILE CB C 29 37.668 37.114 0.554 1
1 272 . 10 1 1 A 29 29 ILE C C 29 179.288 177.815 1.473 1
1 273 . 10 1 1 A 30 30 GLN N N 30 117.944 119.855 -1.911 1
1 274 . 10 1 1 A 30 30 GLN H H 30 7.660 8.296 -0.636 1
1 275 . 10 1 1 A 30 30 GLN CA C 30 58.702 58.207 0.495 1
1 276 . 10 1 1 A 30 30 GLN HA H 30 3.893 4.061 -0.168 1
1 277 . 10 1 1 A 30 30 GLN CB C 30 28.308 28.607 -0.299 1
1 286 . 10 1 1 A 30 30 GLN C C 30 178.753 177.942 0.811 1
1 287 . 10 1 1 A 31 31 HIS N N 31 118.960 119.736 -0.776 1
1 288 . 10 1 1 A 31 31 HIS H H 31 7.639 7.559 0.080 1
1 289 . 10 1 1 A 31 31 HIS CA C 31 58.828 59.898 -1.070 1
1 290 . 10 1 1 A 31 31 HIS HA H 31 4.183 4.317 -0.134 1
1 291 . 10 1 1 A 31 31 HIS CB C 31 28.483 29.963 -1.480 1
1 298 . 10 1 1 A 31 31 HIS C C 31 175.999 177.009 -1.010 1
1 299 . 10 1 1 A 32 32 GLN N N 32 115.694 117.346 -1.652 1
1 300 . 10 1 1 A 32 32 GLN H H 32 8.201 7.933 0.268 1
1 301 . 10 1 1 A 32 32 GLN CA C 32 59.179 59.392 -0.213 1
1 302 . 10 1 1 A 32 32 GLN HA H 32 3.596 4.028 -0.432 1
1 303 . 10 1 1 A 32 32 GLN CB C 32 28.048 28.376 -0.328 1
1 312 . 10 1 1 A 32 32 GLN C C 32 177.337 178.622 -1.285 1
1 313 . 10 1 1 A 33 33 ARG N N 33 117.574 120.313 -2.739 1
1 314 . 10 1 1 A 33 33 ARG H H 33 7.079 8.025 -0.946 1
1 315 . 10 1 1 A 33 33 ARG CA C 33 58.431 59.105 -0.674 1
1 316 . 10 1 1 A 33 33 ARG HA H 33 4.090 3.982 0.108 1
1 317 . 10 1 1 A 33 33 ARG CB C 33 29.971 29.748 0.223 1
1 325 . 10 1 1 A 33 33 ARG C C 33 178.500 178.923 -0.423 1
1 326 . 10 1 1 A 34 34 VAL N N 34 116.091 116.820 -0.729 1
1 327 . 10 1 1 A 34 34 VAL H H 34 7.860 8.040 -0.180 1
1 328 . 10 1 1 A 34 34 VAL CA C 34 63.986 65.231 -1.245 1
1 329 . 10 1 1 A 34 34 VAL HA H 34 3.853 3.665 0.188 1
1 330 . 10 1 1 A 34 34 VAL CB C 34 31.100 31.135 -0.035 1
1 340 . 10 1 1 A 34 34 VAL C C 34 177.255 177.648 -0.393 1
1 341 . 10 1 1 A 35 35 HIS N N 35 117.210 119.763 -2.553 1
1 342 . 10 1 1 A 35 35 HIS H H 35 7.164 7.613 -0.449 1
1 343 . 10 1 1 A 35 35 HIS CA C 35 55.166 58.618 -3.452 1
1 344 . 10 1 1 A 35 35 HIS HA H 35 4.811 4.416 0.395 1
1 345 . 10 1 1 A 35 35 HIS CB C 35 28.575 31.122 -2.547 1
1 352 . 10 1 1 A 35 35 HIS C C 35 175.753 175.703 0.050 1
1 353 . 10 1 1 A 36 36 THR N N 36 111.834 113.230 -1.396 1
1 354 . 10 1 1 A 36 36 THR H H 36 7.736 7.606 0.130 1
1 355 . 10 1 1 A 36 36 THR CA C 36 62.474 60.811 1.663 1
1 356 . 10 1 1 A 36 36 THR HA H 36 4.296 4.495 -0.199 1
1 357 . 10 1 1 A 36 36 THR CB C 36 69.785 68.986 0.799 1
1 363 . 10 1 1 A 36 36 THR C C 36 175.464 174.416 1.048 1
1 364 . 10 1 1 A 37 37 GLY N N 37 110.633 115.086 -4.453 1
1 365 . 10 1 1 A 37 37 GLY H H 37 8.203 8.471 -0.268 1
1 366 . 10 1 1 A 37 37 GLY CA C 37 45.294 45.798 -0.504 1
1 367 . 10 1 1 A 37 37 GLY HA2 H 37 3.963 4.052 -0.089 1
1 368 . 10 1 1 A 37 37 GLY HA3 H 37 3.898 4.054 -0.156 1
1 369 . 10 1 1 A 37 37 GLY C C 37 174.023 175.083 -1.060 1
1 370 . 10 1 1 A 38 38 GLU N N 38 120.541 117.953 2.588 1
1 371 . 10 1 1 A 38 38 GLU H H 38 8.056 7.973 0.083 1
1 372 . 10 1 1 A 38 38 GLU CA C 38 56.376 55.834 0.542 1
1 373 . 10 1 1 A 38 38 GLU HA H 38 4.185 4.481 -0.296 1
1 374 . 10 1 1 A 38 38 GLU CB C 38 30.483 30.451 0.032 1
1 380 . 10 1 1 A 38 38 GLU C C 38 176.222 176.052 0.170 1
1 381 . 10 1 1 A 39 39 LYS N N 39 123.877 121.267 2.610 1
1 382 . 10 1 1 A 39 39 LYS H H 39 8.382 7.380 1.002 1
1 383 . 10 1 1 A 39 39 LYS CA C 39 54.071 54.498 -0.427 1
1 384 . 10 1 1 A 39 39 LYS HA H 39 4.545 4.428 0.117 1
1 385 . 10 1 1 A 39 39 LYS CB C 39 32.423 31.616 0.807 1
1 396 . 10 1 1 A 39 39 LYS C C 39 174.477 176.497 -2.020 1
1 397 . 10 1 1 A 40 40 PRO CA C 40 63.142 63.745 -0.603 1
1 398 . 10 1 1 A 40 40 PRO HA H 40 4.399 4.556 -0.157 1
1 399 . 10 1 1 A 40 40 PRO CB C 40 32.100 32.299 -0.199 1
1 408 . 10 1 1 A 40 40 PRO C C 40 176.965 176.497 0.468 1
1 409 . 10 1 1 A 41 41 SER N N 41 116.545 115.582 0.963 1
1 410 . 10 1 1 A 41 41 SER H H 41 8.456 7.736 0.720 1
1 411 . 10 1 1 A 41 41 SER CA C 41 58.303 59.147 -0.844 1
1 412 . 10 1 1 A 41 41 SER HA H 41 4.418 4.304 0.114 1
1 413 . 10 1 1 A 41 41 SER CB C 41 64.033 63.300 0.733 1
1 416 . 10 1 1 A 41 41 SER C C 41 174.604 175.129 -0.525 1
1 417 . 10 1 1 A 42 42 GLY CA C 42 44.595 44.283 0.312 1
1 418 . 10 1 1 A 42 42 GLY HA2 H 42 4.043 4.042 0.001 1
1 419 . 10 1 1 A 42 42 GLY HA3 H 42 4.102 4.042 0.060 1
1 420 . 10 1 1 A 43 43 PRO CA C 43 63.183 63.841 -0.658 1
1 421 . 10 1 1 A 43 43 PRO HA H 43 4.409 4.499 -0.090 1
1 422 . 10 1 1 A 43 43 PRO CB C 43 32.160 32.130 0.030 1
1 431 . 10 1 1 A 45 45 SER CA C 45 58.358 60.445 -2.087 1
1 432 . 10 1 1 A 45 45 SER HA H 45 4.458 4.354 0.104 1
1 433 . 10 1 1 A 45 45 SER CB C 45 64.035 63.605 0.430 1
1 435 . 10 1 1 A 45 45 SER C C 45 173.906 174.982 -1.076 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.360 44.739 0.621 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 3.977 4.172 -0.195 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 3.977 4.175 -0.198 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.507 173.629 0.878 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.829 116.185 -3.356 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.115 8.553 -0.438 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.759 62.660 -0.901 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.312 3.853 0.459 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.817 66.848 2.969 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.249 173.908 1.341 1
1 16 . 11 1 1 A 9 9 GLY N N 9 110.896 107.779 3.117 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.416 7.954 0.462 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.299 44.687 0.612 1
1 19 . 11 1 1 A 9 9 GLY HA2 H 9 3.900 4.137 -0.237 1
1 20 . 11 1 1 A 9 9 GLY HA3 H 9 3.900 4.139 -0.239 1
1 21 . 11 1 1 A 9 9 GLY C C 9 174.082 173.341 0.741 1
1 22 . 11 1 1 A 10 10 GLU N N 10 120.023 118.653 1.370 1
1 23 . 11 1 1 A 10 10 GLU H H 10 8.184 8.401 -0.217 1
1 24 . 11 1 1 A 10 10 GLU CA C 10 56.936 56.622 0.314 1
1 25 . 11 1 1 A 10 10 GLU HA H 10 4.102 4.178 -0.076 1
1 26 . 11 1 1 A 10 10 GLU CB C 10 30.327 29.800 0.527 1
1 32 . 11 1 1 A 10 10 GLU C C 10 176.503 176.058 0.445 1
1 33 . 11 1 1 A 11 11 LYS N N 11 121.280 122.876 -1.596 1
1 34 . 11 1 1 A 11 11 LYS H H 11 8.281 8.704 -0.423 1
1 35 . 11 1 1 A 11 11 LYS CA C 11 53.669 54.084 -0.415 1
1 36 . 11 1 1 A 11 11 LYS HA H 11 4.388 4.399 -0.011 1
1 37 . 11 1 1 A 11 11 LYS CB C 11 33.080 31.812 1.268 1
1 49 . 11 1 1 A 11 11 LYS C C 11 173.641 176.431 -2.790 1
1 50 . 11 1 1 A 12 12 PRO CA C 12 63.359 63.908 -0.549 1
1 51 . 11 1 1 A 12 12 PRO HA H 12 4.181 4.339 -0.158 1
1 52 . 11 1 1 A 12 12 PRO CB C 12 32.233 31.086 1.147 1
1 61 . 11 1 1 A 12 12 PRO C C 12 176.415 175.726 0.689 1
1 62 . 11 1 1 A 13 13 TYR N N 13 118.435 118.771 -0.336 1
1 63 . 11 1 1 A 13 13 TYR H H 13 7.798 7.326 0.472 1
1 64 . 11 1 1 A 13 13 TYR CA C 13 57.003 56.703 0.300 1
1 65 . 11 1 1 A 13 13 TYR HA H 13 4.666 5.338 -0.672 1
1 66 . 11 1 1 A 13 13 TYR CB C 13 38.081 40.329 -2.248 1
1 77 . 11 1 1 A 13 13 TYR C C 13 174.560 174.193 0.367 1
1 78 . 11 1 1 A 14 14 GLU N N 14 124.052 124.970 -0.918 1
1 79 . 11 1 1 A 14 14 GLU H H 14 8.452 9.069 -0.617 1
1 80 . 11 1 1 A 14 14 GLU CA C 14 55.017 54.837 0.180 1
1 81 . 11 1 1 A 14 14 GLU HA H 14 4.842 5.371 -0.529 1
1 82 . 11 1 1 A 14 14 GLU CB C 14 32.845 33.711 -0.866 1
1 88 . 11 1 1 A 14 14 GLU C C 14 175.274 175.406 -0.132 1
1 89 . 11 1 1 A 15 15 CYS N N 15 126.436 124.959 1.477 1
1 90 . 11 1 1 A 15 15 CYS H H 15 9.246 9.457 -0.211 1
1 91 . 11 1 1 A 15 15 CYS CA C 15 59.316 59.900 -0.584 1
1 92 . 11 1 1 A 15 15 CYS HA H 15 4.516 4.591 -0.075 1
1 93 . 11 1 1 A 15 15 CYS CB C 15 29.534 28.458 1.076 1
1 96 . 11 1 1 A 15 15 CYS C C 15 177.358 176.119 1.239 1
1 97 . 11 1 1 A 16 16 LYS N N 16 117.311 128.472 -11.161 1
1 98 . 11 1 1 A 16 16 LYS H H 16 9.330 8.937 0.393 1
1 99 . 11 1 1 A 16 16 LYS CA C 16 58.072 55.686 2.386 1
1 100 . 11 1 1 A 16 16 LYS HA H 16 4.136 4.558 -0.422 1
1 101 . 11 1 1 A 16 16 LYS CB C 16 31.984 32.674 -0.690 1
1 113 . 11 1 1 A 16 16 LYS C C 16 177.050 177.577 -0.527 1
1 114 . 11 1 1 A 17 17 GLU N N 17 119.733 120.890 -1.157 1
1 115 . 11 1 1 A 17 17 GLU H H 17 8.535 7.879 0.656 1
1 116 . 11 1 1 A 17 17 GLU CA C 17 58.258 56.804 1.454 1
1 117 . 11 1 1 A 17 17 GLU HA H 17 4.129 4.438 -0.309 1
1 118 . 11 1 1 A 17 17 GLU CB C 17 29.273 32.000 -2.727 1
1 124 . 11 1 1 A 17 17 GLU C C 17 177.315 177.808 -0.493 1
1 125 . 11 1 1 A 18 18 CYS N N 18 129.046 114.847 14.199 1
1 126 . 11 1 1 A 18 18 CYS H H 18 7.834 7.927 -0.093 1
1 127 . 11 1 1 A 18 18 CYS CA C 18 58.321 59.444 -1.123 1
1 128 . 11 1 1 A 18 18 CYS HA H 18 5.122 4.674 0.448 1
1 129 . 11 1 1 A 18 18 CYS CB C 18 32.639 30.294 2.345 1
1 132 . 11 1 1 A 18 18 CYS C C 18 176.226 175.535 0.691 1
1 133 . 11 1 1 A 19 19 GLY N N 19 113.826 110.047 3.779 1
1 134 . 11 1 1 A 19 19 GLY H H 19 8.242 8.509 -0.267 1
1 135 . 11 1 1 A 19 19 GLY CA C 19 46.088 46.203 -0.115 1
1 136 . 11 1 1 A 19 19 GLY HA2 H 19 4.179 3.995 0.184 1
1 137 . 11 1 1 A 19 19 GLY HA3 H 19 3.816 4.007 -0.191 1
1 138 . 11 1 1 A 19 19 GLY C C 19 173.827 173.881 -0.054 1
1 139 . 11 1 1 A 20 20 LYS N N 20 122.964 120.078 2.886 1
1 140 . 11 1 1 A 20 20 LYS H H 20 7.922 7.686 0.236 1
1 141 . 11 1 1 A 20 20 LYS CA C 20 58.100 55.138 2.962 1
1 142 . 11 1 1 A 20 20 LYS HA H 20 3.891 4.898 -1.007 1
1 143 . 11 1 1 A 20 20 LYS CB C 20 33.635 35.438 -1.803 1
1 155 . 11 1 1 A 20 20 LYS C C 20 173.610 174.312 -0.702 1
1 156 . 11 1 1 A 21 21 ALA N N 21 123.854 129.092 -5.238 1
1 157 . 11 1 1 A 21 21 ALA H H 21 7.723 8.825 -1.102 1
1 158 . 11 1 1 A 21 21 ALA CA C 21 50.412 50.193 0.219 1
1 159 . 11 1 1 A 21 21 ALA HA H 21 5.067 5.668 -0.601 1
1 160 . 11 1 1 A 21 21 ALA CB C 21 22.154 21.475 0.679 1
1 164 . 11 1 1 A 21 21 ALA C C 21 176.234 176.288 -0.054 1
1 165 . 11 1 1 A 22 22 PHE N N 22 116.521 119.847 -3.326 1
1 166 . 11 1 1 A 22 22 PHE H H 22 8.639 8.725 -0.086 1
1 167 . 11 1 1 A 22 22 PHE CA C 22 57.304 56.579 0.725 1
1 168 . 11 1 1 A 22 22 PHE HA H 22 4.745 4.909 -0.164 1
1 169 . 11 1 1 A 22 22 PHE CB C 22 44.191 41.906 2.285 1
1 182 . 11 1 1 A 22 22 PHE C C 22 175.366 176.217 -0.851 1
1 183 . 11 1 1 A 23 23 SER N N 23 115.521 118.162 -2.641 1
1 184 . 11 1 1 A 23 23 SER H H 23 9.661 8.934 0.727 1
1 185 . 11 1 1 A 23 23 SER CA C 23 59.967 62.118 -2.151 1
1 186 . 11 1 1 A 23 23 SER HA H 23 4.679 4.186 0.493 1
1 187 . 11 1 1 A 23 23 SER CB C 23 64.445 63.118 1.327 1
1 190 . 11 1 1 A 23 23 SER C C 23 174.027 174.773 -0.746 1
1 191 . 11 1 1 A 24 24 GLN N N 24 115.852 119.869 -4.017 1
1 192 . 11 1 1 A 24 24 GLN H H 24 7.218 7.964 -0.746 1
1 193 . 11 1 1 A 24 24 GLN CA C 24 53.982 54.898 -0.916 1
1 194 . 11 1 1 A 24 24 GLN HA H 24 4.834 4.736 0.098 1
1 195 . 11 1 1 A 24 24 GLN CB C 24 32.152 30.128 2.024 1
1 204 . 11 1 1 A 24 24 GLN C C 24 176.620 176.200 0.420 1
1 205 . 11 1 1 A 25 25 THR CA C 25 65.709 65.477 0.232 1
1 206 . 11 1 1 A 25 25 THR HA H 25 3.211 3.634 -0.423 1
1 207 . 11 1 1 A 25 25 THR CB C 25 67.811 68.111 -0.300 1
1 213 . 11 1 1 A 25 25 THR C C 25 176.919 175.593 1.326 1
1 214 . 11 1 1 A 26 26 THR N N 26 112.897 115.655 -2.758 1
1 215 . 11 1 1 A 26 26 THR H H 26 7.831 8.118 -0.287 1
1 216 . 11 1 1 A 26 26 THR CA C 26 65.080 65.425 -0.345 1
1 217 . 11 1 1 A 26 26 THR HA H 26 3.757 3.916 -0.159 1
1 218 . 11 1 1 A 26 26 THR CB C 26 68.011 68.789 -0.778 1
1 224 . 11 1 1 A 26 26 THR C C 26 176.443 177.136 -0.693 1
1 225 . 11 1 1 A 27 27 HIS N N 27 119.551 119.165 0.386 1
1 226 . 11 1 1 A 27 27 HIS H H 27 6.604 7.923 -1.319 1
1 227 . 11 1 1 A 27 27 HIS CA C 27 56.982 59.251 -2.269 1
1 228 . 11 1 1 A 27 27 HIS HA H 27 4.367 4.243 0.124 1
1 229 . 11 1 1 A 27 27 HIS CB C 27 31.824 29.716 2.108 1
1 236 . 11 1 1 A 27 27 HIS C C 27 178.059 177.648 0.411 1
1 237 . 11 1 1 A 28 28 LEU N N 28 121.872 119.876 1.996 1
1 238 . 11 1 1 A 28 28 LEU H H 28 6.995 7.693 -0.698 1
1 239 . 11 1 1 A 28 28 LEU CA C 28 57.919 57.722 0.197 1
1 240 . 11 1 1 A 28 28 LEU HA H 28 3.210 3.713 -0.503 1
1 241 . 11 1 1 A 28 28 LEU CB C 28 40.630 41.776 -1.146 1
1 254 . 11 1 1 A 28 28 LEU C C 28 177.447 178.570 -1.123 1
1 255 . 11 1 1 A 29 29 ILE N N 29 119.734 119.238 0.496 1
1 256 . 11 1 1 A 29 29 ILE H H 29 8.121 7.830 0.291 1
1 257 . 11 1 1 A 29 29 ILE CA C 29 64.592 65.445 -0.853 1
1 258 . 11 1 1 A 29 29 ILE HA H 29 3.681 3.460 0.221 1
1 259 . 11 1 1 A 29 29 ILE CB C 29 37.668 37.756 -0.088 1
1 272 . 11 1 1 A 29 29 ILE C C 29 179.288 177.878 1.410 1
1 273 . 11 1 1 A 30 30 GLN N N 30 117.944 118.028 -0.084 1
1 274 . 11 1 1 A 30 30 GLN H H 30 7.660 7.416 0.244 1
1 275 . 11 1 1 A 30 30 GLN CA C 30 58.702 58.865 -0.163 1
1 276 . 11 1 1 A 30 30 GLN HA H 30 3.893 3.945 -0.052 1
1 277 . 11 1 1 A 30 30 GLN CB C 30 28.308 28.339 -0.031 1
1 286 . 11 1 1 A 30 30 GLN C C 30 178.753 178.150 0.603 1
1 287 . 11 1 1 A 31 31 HIS N N 31 118.960 119.915 -0.955 1
1 288 . 11 1 1 A 31 31 HIS H H 31 7.639 7.787 -0.148 1
1 289 . 11 1 1 A 31 31 HIS CA C 31 58.828 59.768 -0.940 1
1 290 . 11 1 1 A 31 31 HIS HA H 31 4.183 4.214 -0.031 1
1 291 . 11 1 1 A 31 31 HIS CB C 31 28.483 29.393 -0.910 1
1 298 . 11 1 1 A 31 31 HIS C C 31 175.999 176.960 -0.961 1
1 299 . 11 1 1 A 32 32 GLN N N 32 115.694 117.370 -1.676 1
1 300 . 11 1 1 A 32 32 GLN H H 32 8.201 8.326 -0.125 1
1 301 . 11 1 1 A 32 32 GLN CA C 32 59.179 58.969 0.210 1
1 302 . 11 1 1 A 32 32 GLN HA H 32 3.596 3.773 -0.177 1
1 303 . 11 1 1 A 32 32 GLN CB C 32 28.048 28.264 -0.216 1
1 312 . 11 1 1 A 32 32 GLN C C 32 177.337 178.433 -1.096 1
1 313 . 11 1 1 A 33 33 ARG N N 33 117.574 120.062 -2.488 1
1 314 . 11 1 1 A 33 33 ARG H H 33 7.079 7.948 -0.869 1
1 315 . 11 1 1 A 33 33 ARG CA C 33 58.431 58.971 -0.540 1
1 316 . 11 1 1 A 33 33 ARG HA H 33 4.090 4.344 -0.254 1
1 317 . 11 1 1 A 33 33 ARG CB C 33 29.971 29.760 0.211 1
1 325 . 11 1 1 A 33 33 ARG C C 33 178.500 178.973 -0.473 1
1 326 . 11 1 1 A 34 34 VAL N N 34 116.091 116.368 -0.277 1
1 327 . 11 1 1 A 34 34 VAL H H 34 7.860 7.899 -0.039 1
1 328 . 11 1 1 A 34 34 VAL CA C 34 63.986 64.382 -0.396 1
1 329 . 11 1 1 A 34 34 VAL HA H 34 3.853 3.787 0.066 1
1 330 . 11 1 1 A 34 34 VAL CB C 34 31.100 31.106 -0.006 1
1 340 . 11 1 1 A 34 34 VAL C C 34 177.255 176.358 0.897 1
1 341 . 11 1 1 A 35 35 HIS N N 35 117.210 118.762 -1.552 1
1 342 . 11 1 1 A 35 35 HIS H H 35 7.164 8.225 -1.061 1
1 343 . 11 1 1 A 35 35 HIS CA C 35 55.166 56.596 -1.430 1
1 344 . 11 1 1 A 35 35 HIS HA H 35 4.811 4.692 0.119 1
1 345 . 11 1 1 A 35 35 HIS CB C 35 28.575 31.971 -3.396 1
1 352 . 11 1 1 A 35 35 HIS C C 35 175.753 175.295 0.458 1
1 353 . 11 1 1 A 36 36 THR N N 36 111.834 108.869 2.965 1
1 354 . 11 1 1 A 36 36 THR H H 36 7.736 8.238 -0.502 1
1 355 . 11 1 1 A 36 36 THR CA C 36 62.474 60.934 1.540 1
1 356 . 11 1 1 A 36 36 THR HA H 36 4.296 4.467 -0.171 1
1 357 . 11 1 1 A 36 36 THR CB C 36 69.785 69.373 0.412 1
1 363 . 11 1 1 A 36 36 THR C C 36 175.464 174.825 0.639 1
1 364 . 11 1 1 A 37 37 GLY N N 37 110.633 110.939 -0.306 1
1 365 . 11 1 1 A 37 37 GLY H H 37 8.203 8.389 -0.186 1
1 366 . 11 1 1 A 37 37 GLY CA C 37 45.294 45.623 -0.329 1
1 367 . 11 1 1 A 37 37 GLY HA2 H 37 3.963 4.047 -0.084 1
1 368 . 11 1 1 A 37 37 GLY HA3 H 37 3.898 4.050 -0.152 1
1 369 . 11 1 1 A 37 37 GLY C C 37 174.023 174.442 -0.419 1
1 370 . 11 1 1 A 38 38 GLU N N 38 120.541 121.706 -1.165 1
1 371 . 11 1 1 A 38 38 GLU H H 38 8.056 7.794 0.262 1
1 372 . 11 1 1 A 38 38 GLU CA C 38 56.376 57.902 -1.526 1
1 373 . 11 1 1 A 38 38 GLU HA H 38 4.185 3.902 0.283 1
1 374 . 11 1 1 A 38 38 GLU CB C 38 30.483 29.650 0.833 1
1 380 . 11 1 1 A 38 38 GLU C C 38 176.222 177.373 -1.151 1
1 381 . 11 1 1 A 39 39 LYS N N 39 123.877 125.910 -2.033 1
1 382 . 11 1 1 A 39 39 LYS H H 39 8.382 8.842 -0.460 1
1 383 . 11 1 1 A 39 39 LYS CA C 39 54.071 57.144 -3.073 1
1 384 . 11 1 1 A 39 39 LYS HA H 39 4.545 3.926 0.619 1
1 385 . 11 1 1 A 39 39 LYS CB C 39 32.423 31.064 1.359 1
1 396 . 11 1 1 A 39 39 LYS C C 39 174.477 176.132 -1.655 1
1 397 . 11 1 1 A 40 40 PRO CA C 40 63.142 62.802 0.340 1
1 398 . 11 1 1 A 40 40 PRO HA H 40 4.399 4.741 -0.342 1
1 399 . 11 1 1 A 40 40 PRO CB C 40 32.100 30.627 1.473 1
1 408 . 11 1 1 A 40 40 PRO C C 40 176.965 175.093 1.872 1
1 409 . 11 1 1 A 41 41 SER N N 41 116.545 118.934 -2.389 1
1 410 . 11 1 1 A 41 41 SER H H 41 8.456 8.170 0.286 1
1 411 . 11 1 1 A 41 41 SER CA C 41 58.303 56.592 1.711 1
1 412 . 11 1 1 A 41 41 SER HA H 41 4.418 5.159 -0.741 1
1 413 . 11 1 1 A 41 41 SER CB C 41 64.033 65.701 -1.668 1
1 416 . 11 1 1 A 41 41 SER C C 41 174.604 173.012 1.592 1
1 417 . 11 1 1 A 42 42 GLY CA C 42 44.595 44.362 0.233 1
1 418 . 11 1 1 A 42 42 GLY HA2 H 42 4.043 4.168 -0.125 1
1 419 . 11 1 1 A 42 42 GLY HA3 H 42 4.102 4.169 -0.067 1
1 420 . 11 1 1 A 43 43 PRO CA C 43 63.183 63.434 -0.251 1
1 421 . 11 1 1 A 43 43 PRO HA H 43 4.409 4.542 -0.133 1
1 422 . 11 1 1 A 43 43 PRO CB C 43 32.160 31.965 0.195 1
1 431 . 11 1 1 A 45 45 SER CA C 45 58.358 60.018 -1.660 1
1 432 . 11 1 1 A 45 45 SER HA H 45 4.458 4.268 0.190 1
1 433 . 11 1 1 A 45 45 SER CB C 45 64.035 63.754 0.281 1
1 435 . 11 1 1 A 45 45 SER C C 45 173.906 174.657 -0.751 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.360 46.279 -0.919 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 3.977 4.019 -0.042 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 3.977 4.020 -0.043 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.507 174.322 0.185 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.829 111.520 1.309 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.115 7.855 0.260 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.759 60.854 0.905 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.312 4.406 -0.094 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.817 68.906 0.911 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.249 175.035 0.214 1
1 16 . 12 1 1 A 9 9 GLY N N 9 110.896 113.180 -2.284 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.416 8.836 -0.420 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.299 44.814 0.485 1
1 19 . 12 1 1 A 9 9 GLY HA2 H 9 3.900 3.895 0.005 1
1 20 . 12 1 1 A 9 9 GLY HA3 H 9 3.900 3.898 0.002 1
1 21 . 12 1 1 A 9 9 GLY C C 9 174.082 173.294 0.788 1
1 22 . 12 1 1 A 10 10 GLU N N 10 120.023 116.425 3.598 1
1 23 . 12 1 1 A 10 10 GLU H H 10 8.184 8.212 -0.028 1
1 24 . 12 1 1 A 10 10 GLU CA C 10 56.936 54.332 2.604 1
1 25 . 12 1 1 A 10 10 GLU HA H 10 4.102 5.043 -0.941 1
1 26 . 12 1 1 A 10 10 GLU CB C 10 30.327 32.676 -2.349 1
1 32 . 12 1 1 A 10 10 GLU C C 10 176.503 175.264 1.239 1
1 33 . 12 1 1 A 11 11 LYS N N 11 121.280 120.643 0.637 1
1 34 . 12 1 1 A 11 11 LYS H H 11 8.281 8.545 -0.264 1
1 35 . 12 1 1 A 11 11 LYS CA C 11 53.669 54.887 -1.218 1
1 36 . 12 1 1 A 11 11 LYS HA H 11 4.388 4.285 0.103 1
1 37 . 12 1 1 A 11 11 LYS CB C 11 33.080 31.834 1.246 1
1 49 . 12 1 1 A 11 11 LYS C C 11 173.641 176.325 -2.684 1
1 50 . 12 1 1 A 12 12 PRO CA C 12 63.359 63.754 -0.395 1
1 51 . 12 1 1 A 12 12 PRO HA H 12 4.181 4.309 -0.128 1
1 52 . 12 1 1 A 12 12 PRO CB C 12 32.233 31.137 1.096 1
1 61 . 12 1 1 A 12 12 PRO C C 12 176.415 175.558 0.857 1
1 62 . 12 1 1 A 13 13 TYR N N 13 118.435 119.411 -0.976 1
1 63 . 12 1 1 A 13 13 TYR H H 13 7.798 7.218 0.580 1
1 64 . 12 1 1 A 13 13 TYR CA C 13 57.003 56.908 0.095 1
1 65 . 12 1 1 A 13 13 TYR HA H 13 4.666 5.293 -0.627 1
1 66 . 12 1 1 A 13 13 TYR CB C 13 38.081 41.173 -3.092 1
1 77 . 12 1 1 A 13 13 TYR C C 13 174.560 174.724 -0.164 1
1 78 . 12 1 1 A 14 14 GLU N N 14 124.052 124.140 -0.088 1
1 79 . 12 1 1 A 14 14 GLU H H 14 8.452 8.998 -0.546 1
1 80 . 12 1 1 A 14 14 GLU CA C 14 55.017 55.608 -0.591 1
1 81 . 12 1 1 A 14 14 GLU HA H 14 4.842 5.042 -0.200 1
1 82 . 12 1 1 A 14 14 GLU CB C 14 32.845 33.971 -1.126 1
1 88 . 12 1 1 A 14 14 GLU C C 14 175.274 174.856 0.418 1
1 89 . 12 1 1 A 15 15 CYS N N 15 126.436 124.965 1.471 1
1 90 . 12 1 1 A 15 15 CYS H H 15 9.246 9.457 -0.211 1
1 91 . 12 1 1 A 15 15 CYS CA C 15 59.316 59.691 -0.375 1
1 92 . 12 1 1 A 15 15 CYS HA H 15 4.516 4.520 -0.004 1
1 93 . 12 1 1 A 15 15 CYS CB C 15 29.534 28.263 1.271 1
1 96 . 12 1 1 A 15 15 CYS C C 15 177.358 175.576 1.782 1
1 97 . 12 1 1 A 16 16 LYS N N 16 117.311 127.955 -10.644 1
1 98 . 12 1 1 A 16 16 LYS H H 16 9.330 8.898 0.432 1
1 99 . 12 1 1 A 16 16 LYS CA C 16 58.072 56.508 1.564 1
1 100 . 12 1 1 A 16 16 LYS HA H 16 4.136 4.448 -0.312 1
1 101 . 12 1 1 A 16 16 LYS CB C 16 31.984 32.248 -0.264 1
1 113 . 12 1 1 A 16 16 LYS C C 16 177.050 176.842 0.208 1
1 114 . 12 1 1 A 17 17 GLU N N 17 119.733 117.574 2.159 1
1 115 . 12 1 1 A 17 17 GLU H H 17 8.535 7.818 0.717 1
1 116 . 12 1 1 A 17 17 GLU CA C 17 58.258 56.839 1.419 1
1 117 . 12 1 1 A 17 17 GLU HA H 17 4.129 4.425 -0.296 1
1 118 . 12 1 1 A 17 17 GLU CB C 17 29.273 31.629 -2.356 1
1 124 . 12 1 1 A 17 17 GLU C C 17 177.315 177.825 -0.510 1
1 125 . 12 1 1 A 18 18 CYS N N 18 129.046 114.937 14.109 1
1 126 . 12 1 1 A 18 18 CYS H H 18 7.834 7.939 -0.105 1
1 127 . 12 1 1 A 18 18 CYS CA C 18 58.321 59.378 -1.057 1
1 128 . 12 1 1 A 18 18 CYS HA H 18 5.122 4.730 0.392 1
1 129 . 12 1 1 A 18 18 CYS CB C 18 32.639 30.439 2.200 1
1 132 . 12 1 1 A 18 18 CYS C C 18 176.226 175.556 0.670 1
1 133 . 12 1 1 A 19 19 GLY N N 19 113.826 109.998 3.828 1
1 134 . 12 1 1 A 19 19 GLY H H 19 8.242 8.474 -0.232 1
1 135 . 12 1 1 A 19 19 GLY CA C 19 46.088 46.136 -0.048 1
1 136 . 12 1 1 A 19 19 GLY HA2 H 19 4.179 3.980 0.199 1
1 137 . 12 1 1 A 19 19 GLY HA3 H 19 3.816 3.981 -0.165 1
1 138 . 12 1 1 A 19 19 GLY C C 19 173.827 173.863 -0.036 1
1 139 . 12 1 1 A 20 20 LYS N N 20 122.964 120.613 2.351 1
1 140 . 12 1 1 A 20 20 LYS H H 20 7.922 7.704 0.218 1
1 141 . 12 1 1 A 20 20 LYS CA C 20 58.100 55.045 3.055 1
1 142 . 12 1 1 A 20 20 LYS HA H 20 3.891 4.789 -0.898 1
1 143 . 12 1 1 A 20 20 LYS CB C 20 33.635 35.685 -2.050 1
1 155 . 12 1 1 A 20 20 LYS C C 20 173.610 174.415 -0.805 1
1 156 . 12 1 1 A 21 21 ALA N N 21 123.854 129.113 -5.259 1
1 157 . 12 1 1 A 21 21 ALA H H 21 7.723 8.766 -1.043 1
1 158 . 12 1 1 A 21 21 ALA CA C 21 50.412 50.255 0.157 1
1 159 . 12 1 1 A 21 21 ALA HA H 21 5.067 5.678 -0.611 1
1 160 . 12 1 1 A 21 21 ALA CB C 21 22.154 21.865 0.289 1
1 164 . 12 1 1 A 21 21 ALA C C 21 176.234 176.247 -0.013 1
1 165 . 12 1 1 A 22 22 PHE N N 22 116.521 118.517 -1.996 1
1 166 . 12 1 1 A 22 22 PHE H H 22 8.639 8.534 0.105 1
1 167 . 12 1 1 A 22 22 PHE CA C 22 57.304 56.910 0.394 1
1 168 . 12 1 1 A 22 22 PHE HA H 22 4.745 4.926 -0.181 1
1 169 . 12 1 1 A 22 22 PHE CB C 22 44.191 42.087 2.104 1
1 182 . 12 1 1 A 22 22 PHE C C 22 175.366 176.117 -0.751 1
1 183 . 12 1 1 A 23 23 SER N N 23 115.521 117.652 -2.131 1
1 184 . 12 1 1 A 23 23 SER H H 23 9.661 8.831 0.830 1
1 185 . 12 1 1 A 23 23 SER CA C 23 59.967 62.080 -2.113 1
1 186 . 12 1 1 A 23 23 SER HA H 23 4.679 4.308 0.371 1
1 187 . 12 1 1 A 23 23 SER CB C 23 64.445 63.077 1.368 1
1 190 . 12 1 1 A 23 23 SER C C 23 174.027 175.049 -1.022 1
1 191 . 12 1 1 A 24 24 GLN N N 24 115.852 118.894 -3.042 1
1 192 . 12 1 1 A 24 24 GLN H H 24 7.218 7.846 -0.628 1
1 193 . 12 1 1 A 24 24 GLN CA C 24 53.982 54.185 -0.203 1
1 194 . 12 1 1 A 24 24 GLN HA H 24 4.834 4.765 0.069 1
1 195 . 12 1 1 A 24 24 GLN CB C 24 32.152 30.971 1.181 1
1 204 . 12 1 1 A 24 24 GLN C C 24 176.620 176.638 -0.018 1
1 205 . 12 1 1 A 25 25 THR CA C 25 65.709 64.342 1.367 1
1 206 . 12 1 1 A 25 25 THR HA H 25 3.211 3.602 -0.391 1
1 207 . 12 1 1 A 25 25 THR CB C 25 67.811 68.419 -0.608 1
1 213 . 12 1 1 A 25 25 THR C C 25 176.919 176.216 0.703 1
1 214 . 12 1 1 A 26 26 THR N N 26 112.897 117.967 -5.070 1
1 215 . 12 1 1 A 26 26 THR H H 26 7.831 8.064 -0.233 1
1 216 . 12 1 1 A 26 26 THR CA C 26 65.080 65.217 -0.137 1
1 217 . 12 1 1 A 26 26 THR HA H 26 3.757 3.943 -0.186 1
1 218 . 12 1 1 A 26 26 THR CB C 26 68.011 68.835 -0.824 1
1 224 . 12 1 1 A 26 26 THR C C 26 176.443 176.654 -0.211 1
1 225 . 12 1 1 A 27 27 HIS N N 27 119.551 119.007 0.544 1
1 226 . 12 1 1 A 27 27 HIS H H 27 6.604 7.832 -1.228 1
1 227 . 12 1 1 A 27 27 HIS CA C 27 56.982 59.871 -2.889 1
1 228 . 12 1 1 A 27 27 HIS HA H 27 4.367 4.160 0.207 1
1 229 . 12 1 1 A 27 27 HIS CB C 27 31.824 30.126 1.698 1
1 236 . 12 1 1 A 27 27 HIS C C 27 178.059 177.249 0.810 1
1 237 . 12 1 1 A 28 28 LEU N N 28 121.872 120.308 1.564 1
1 238 . 12 1 1 A 28 28 LEU H H 28 6.995 7.711 -0.716 1
1 239 . 12 1 1 A 28 28 LEU CA C 28 57.919 57.071 0.848 1
1 240 . 12 1 1 A 28 28 LEU HA H 28 3.210 3.288 -0.078 1
1 241 . 12 1 1 A 28 28 LEU CB C 28 40.630 42.366 -1.736 1
1 254 . 12 1 1 A 28 28 LEU C C 28 177.447 178.039 -0.592 1
1 255 . 12 1 1 A 29 29 ILE N N 29 119.734 120.049 -0.315 1
1 256 . 12 1 1 A 29 29 ILE H H 29 8.121 7.912 0.209 1
1 257 . 12 1 1 A 29 29 ILE CA C 29 64.592 65.060 -0.468 1
1 258 . 12 1 1 A 29 29 ILE HA H 29 3.681 3.501 0.180 1
1 259 . 12 1 1 A 29 29 ILE CB C 29 37.668 37.513 0.155 1
1 272 . 12 1 1 A 29 29 ILE C C 29 179.288 177.834 1.454 1
1 273 . 12 1 1 A 30 30 GLN N N 30 117.944 119.468 -1.524 1
1 274 . 12 1 1 A 30 30 GLN H H 30 7.660 8.119 -0.459 1
1 275 . 12 1 1 A 30 30 GLN CA C 30 58.702 58.256 0.446 1
1 276 . 12 1 1 A 30 30 GLN HA H 30 3.893 3.999 -0.106 1
1 277 . 12 1 1 A 30 30 GLN CB C 30 28.308 28.271 0.037 1
1 286 . 12 1 1 A 30 30 GLN C C 30 178.753 177.894 0.859 1
1 287 . 12 1 1 A 31 31 HIS N N 31 118.960 119.878 -0.918 1
1 288 . 12 1 1 A 31 31 HIS H H 31 7.639 8.001 -0.362 1
1 289 . 12 1 1 A 31 31 HIS CA C 31 58.828 60.004 -1.176 1
1 290 . 12 1 1 A 31 31 HIS HA H 31 4.183 4.136 0.047 1
1 291 . 12 1 1 A 31 31 HIS CB C 31 28.483 29.281 -0.798 1
1 298 . 12 1 1 A 31 31 HIS C C 31 175.999 176.982 -0.983 1
1 299 . 12 1 1 A 32 32 GLN N N 32 115.694 117.952 -2.258 1
1 300 . 12 1 1 A 32 32 GLN H H 32 8.201 8.242 -0.041 1
1 301 . 12 1 1 A 32 32 GLN CA C 32 59.179 59.105 0.074 1
1 302 . 12 1 1 A 32 32 GLN HA H 32 3.596 4.035 -0.439 1
1 303 . 12 1 1 A 32 32 GLN CB C 32 28.048 28.408 -0.360 1
1 312 . 12 1 1 A 32 32 GLN C C 32 177.337 178.498 -1.161 1
1 313 . 12 1 1 A 33 33 ARG N N 33 117.574 120.368 -2.794 1
1 314 . 12 1 1 A 33 33 ARG H H 33 7.079 7.976 -0.897 1
1 315 . 12 1 1 A 33 33 ARG CA C 33 58.431 59.079 -0.648 1
1 316 . 12 1 1 A 33 33 ARG HA H 33 4.090 3.985 0.105 1
1 317 . 12 1 1 A 33 33 ARG CB C 33 29.971 29.687 0.284 1
1 325 . 12 1 1 A 33 33 ARG C C 33 178.500 179.002 -0.502 1
1 326 . 12 1 1 A 34 34 VAL N N 34 116.091 116.812 -0.721 1
1 327 . 12 1 1 A 34 34 VAL H H 34 7.860 7.838 0.022 1
1 328 . 12 1 1 A 34 34 VAL CA C 34 63.986 64.353 -0.367 1
1 329 . 12 1 1 A 34 34 VAL HA H 34 3.853 3.783 0.070 1
1 330 . 12 1 1 A 34 34 VAL CB C 34 31.100 31.054 0.046 1
1 340 . 12 1 1 A 34 34 VAL C C 34 177.255 176.477 0.778 1
1 341 . 12 1 1 A 35 35 HIS N N 35 117.210 119.865 -2.655 1
1 342 . 12 1 1 A 35 35 HIS H H 35 7.164 8.184 -1.020 1
1 343 . 12 1 1 A 35 35 HIS CA C 35 55.166 55.313 -0.147 1
1 344 . 12 1 1 A 35 35 HIS HA H 35 4.811 4.770 0.041 1
1 345 . 12 1 1 A 35 35 HIS CB C 35 28.575 29.584 -1.009 1
1 352 . 12 1 1 A 35 35 HIS C C 35 175.753 175.334 0.419 1
1 353 . 12 1 1 A 36 36 THR N N 36 111.834 111.005 0.829 1
1 354 . 12 1 1 A 36 36 THR H H 36 7.736 7.904 -0.168 1
1 355 . 12 1 1 A 36 36 THR CA C 36 62.474 62.564 -0.090 1
1 356 . 12 1 1 A 36 36 THR HA H 36 4.296 4.495 -0.199 1
1 357 . 12 1 1 A 36 36 THR CB C 36 69.785 70.016 -0.231 1
1 363 . 12 1 1 A 36 36 THR C C 36 175.464 176.217 -0.753 1
1 364 . 12 1 1 A 37 37 GLY N N 37 110.633 110.192 0.441 1
1 365 . 12 1 1 A 37 37 GLY H H 37 8.203 7.749 0.454 1
1 366 . 12 1 1 A 37 37 GLY CA C 37 45.294 46.802 -1.508 1
1 367 . 12 1 1 A 37 37 GLY HA2 H 37 3.963 3.736 0.227 1
1 368 . 12 1 1 A 37 37 GLY HA3 H 37 3.898 3.747 0.151 1
1 369 . 12 1 1 A 37 37 GLY C C 37 174.023 175.303 -1.280 1
1 370 . 12 1 1 A 38 38 GLU N N 38 120.541 119.597 0.944 1
1 371 . 12 1 1 A 38 38 GLU H H 38 8.056 7.957 0.099 1
1 372 . 12 1 1 A 38 38 GLU CA C 38 56.376 56.637 -0.261 1
1 373 . 12 1 1 A 38 38 GLU HA H 38 4.185 4.320 -0.135 1
1 374 . 12 1 1 A 38 38 GLU CB C 38 30.483 30.453 0.030 1
1 380 . 12 1 1 A 38 38 GLU C C 38 176.222 176.119 0.103 1
1 381 . 12 1 1 A 39 39 LYS N N 39 123.877 122.398 1.479 1
1 382 . 12 1 1 A 39 39 LYS H H 39 8.382 8.280 0.102 1
1 383 . 12 1 1 A 39 39 LYS CA C 39 54.071 53.503 0.568 1
1 384 . 12 1 1 A 39 39 LYS HA H 39 4.545 5.019 -0.474 1
1 385 . 12 1 1 A 39 39 LYS CB C 39 32.423 33.381 -0.958 1
1 396 . 12 1 1 A 39 39 LYS C C 39 174.477 173.846 0.631 1
1 397 . 12 1 1 A 40 40 PRO CA C 40 63.142 62.409 0.733 1
1 398 . 12 1 1 A 40 40 PRO HA H 40 4.399 4.702 -0.303 1
1 399 . 12 1 1 A 40 40 PRO CB C 40 32.100 33.041 -0.941 1
1 408 . 12 1 1 A 40 40 PRO C C 40 176.965 175.414 1.551 1
1 409 . 12 1 1 A 41 41 SER N N 41 116.545 116.117 0.428 1
1 410 . 12 1 1 A 41 41 SER H H 41 8.456 8.671 -0.215 1
1 411 . 12 1 1 A 41 41 SER CA C 41 58.303 56.682 1.621 1
1 412 . 12 1 1 A 41 41 SER HA H 41 4.418 5.427 -1.009 1
1 413 . 12 1 1 A 41 41 SER CB C 41 64.033 66.592 -2.559 1
1 416 . 12 1 1 A 41 41 SER C C 41 174.604 173.072 1.532 1
1 417 . 12 1 1 A 42 42 GLY CA C 42 44.595 45.359 -0.764 1
1 418 . 12 1 1 A 42 42 GLY HA2 H 42 4.043 4.194 -0.151 1
1 419 . 12 1 1 A 42 42 GLY HA3 H 42 4.102 4.201 -0.099 1
1 420 . 12 1 1 A 43 43 PRO CA C 43 63.183 64.805 -1.622 1
1 421 . 12 1 1 A 43 43 PRO HA H 43 4.409 4.433 -0.024 1
1 422 . 12 1 1 A 43 43 PRO CB C 43 32.160 32.052 0.108 1
1 431 . 12 1 1 A 45 45 SER CA C 45 58.358 58.651 -0.293 1
1 432 . 12 1 1 A 45 45 SER HA H 45 4.458 4.729 -0.271 1
1 433 . 12 1 1 A 45 45 SER CB C 45 64.035 65.226 -1.191 1
1 435 . 12 1 1 A 45 45 SER C C 45 173.906 175.906 -2.000 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.360 44.849 0.511 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 3.977 4.089 -0.112 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 3.977 4.100 -0.123 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.507 174.852 -0.345 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.829 117.570 -4.741 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.115 8.661 -0.546 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.759 66.020 -4.261 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.312 4.093 0.219 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.817 69.228 0.589 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.249 175.445 -0.196 1
1 16 . 13 1 1 A 9 9 GLY N N 9 110.896 108.157 2.739 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.416 8.029 0.387 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.299 46.789 -1.490 1
1 19 . 13 1 1 A 9 9 GLY HA2 H 9 3.900 3.833 0.067 1
1 20 . 13 1 1 A 9 9 GLY HA3 H 9 3.900 3.855 0.045 1
1 21 . 13 1 1 A 9 9 GLY C C 9 174.082 174.596 -0.514 1
1 22 . 13 1 1 A 10 10 GLU N N 10 120.023 120.425 -0.402 1
1 23 . 13 1 1 A 10 10 GLU H H 10 8.184 8.497 -0.313 1
1 24 . 13 1 1 A 10 10 GLU CA C 10 56.936 55.476 1.460 1
1 25 . 13 1 1 A 10 10 GLU HA H 10 4.102 4.467 -0.365 1
1 26 . 13 1 1 A 10 10 GLU CB C 10 30.327 28.292 2.035 1
1 32 . 13 1 1 A 10 10 GLU C C 10 176.503 175.349 1.154 1
1 33 . 13 1 1 A 11 11 LYS N N 11 121.280 123.850 -2.570 1
1 34 . 13 1 1 A 11 11 LYS H H 11 8.281 7.506 0.775 1
1 35 . 13 1 1 A 11 11 LYS CA C 11 53.669 53.028 0.641 1
1 36 . 13 1 1 A 11 11 LYS HA H 11 4.388 4.695 -0.307 1
1 37 . 13 1 1 A 11 11 LYS CB C 11 33.080 34.828 -1.748 1
1 49 . 13 1 1 A 11 11 LYS C C 11 173.641 176.062 -2.421 1
1 50 . 13 1 1 A 12 12 PRO CA C 12 63.359 63.579 -0.220 1
1 51 . 13 1 1 A 12 12 PRO HA H 12 4.181 4.353 -0.172 1
1 52 . 13 1 1 A 12 12 PRO CB C 12 32.233 31.160 1.073 1
1 61 . 13 1 1 A 12 12 PRO C C 12 176.415 175.598 0.817 1
1 62 . 13 1 1 A 13 13 TYR N N 13 118.435 119.302 -0.867 1
1 63 . 13 1 1 A 13 13 TYR H H 13 7.798 7.246 0.552 1
1 64 . 13 1 1 A 13 13 TYR CA C 13 57.003 56.859 0.144 1
1 65 . 13 1 1 A 13 13 TYR HA H 13 4.666 5.288 -0.622 1
1 66 . 13 1 1 A 13 13 TYR CB C 13 38.081 40.956 -2.875 1
1 77 . 13 1 1 A 13 13 TYR C C 13 174.560 174.692 -0.132 1
1 78 . 13 1 1 A 14 14 GLU N N 14 124.052 124.454 -0.402 1
1 79 . 13 1 1 A 14 14 GLU H H 14 8.452 9.020 -0.568 1
1 80 . 13 1 1 A 14 14 GLU CA C 14 55.017 55.182 -0.165 1
1 81 . 13 1 1 A 14 14 GLU HA H 14 4.842 5.296 -0.454 1
1 82 . 13 1 1 A 14 14 GLU CB C 14 32.845 34.163 -1.318 1
1 88 . 13 1 1 A 14 14 GLU C C 14 175.274 174.340 0.934 1
1 89 . 13 1 1 A 15 15 CYS N N 15 126.436 124.079 2.357 1
1 90 . 13 1 1 A 15 15 CYS H H 15 9.246 8.646 0.600 1
1 91 . 13 1 1 A 15 15 CYS CA C 15 59.316 57.629 1.687 1
1 92 . 13 1 1 A 15 15 CYS HA H 15 4.516 4.794 -0.278 1
1 93 . 13 1 1 A 15 15 CYS CB C 15 29.534 28.805 0.729 1
1 96 . 13 1 1 A 15 15 CYS C C 15 177.358 175.160 2.198 1
1 97 . 13 1 1 A 16 16 LYS N N 16 117.311 128.044 -10.733 1
1 98 . 13 1 1 A 16 16 LYS H H 16 9.330 8.665 0.665 1
1 99 . 13 1 1 A 16 16 LYS CA C 16 58.072 59.414 -1.342 1
1 100 . 13 1 1 A 16 16 LYS HA H 16 4.136 3.874 0.262 1
1 101 . 13 1 1 A 16 16 LYS CB C 16 31.984 32.361 -0.377 1
1 113 . 13 1 1 A 16 16 LYS C C 16 177.050 177.961 -0.911 1
1 114 . 13 1 1 A 17 17 GLU N N 17 119.733 118.388 1.345 1
1 115 . 13 1 1 A 17 17 GLU H H 17 8.535 8.522 0.013 1
1 116 . 13 1 1 A 17 17 GLU CA C 17 58.258 59.260 -1.002 1
1 117 . 13 1 1 A 17 17 GLU HA H 17 4.129 3.976 0.153 1
1 118 . 13 1 1 A 17 17 GLU CB C 17 29.273 28.672 0.601 1
1 124 . 13 1 1 A 17 17 GLU C C 17 177.315 177.974 -0.659 1
1 125 . 13 1 1 A 18 18 CYS N N 18 129.046 114.964 14.082 1
1 126 . 13 1 1 A 18 18 CYS H H 18 7.834 7.866 -0.032 1
1 127 . 13 1 1 A 18 18 CYS CA C 18 58.321 59.592 -1.271 1
1 128 . 13 1 1 A 18 18 CYS HA H 18 5.122 4.693 0.429 1
1 129 . 13 1 1 A 18 18 CYS CB C 18 32.639 30.083 2.556 1
1 132 . 13 1 1 A 18 18 CYS C C 18 176.226 175.308 0.918 1
1 133 . 13 1 1 A 19 19 GLY N N 19 113.826 110.081 3.745 1
1 134 . 13 1 1 A 19 19 GLY H H 19 8.242 8.639 -0.397 1
1 135 . 13 1 1 A 19 19 GLY CA C 19 46.088 46.338 -0.250 1
1 136 . 13 1 1 A 19 19 GLY HA2 H 19 4.179 4.009 0.170 1
1 137 . 13 1 1 A 19 19 GLY HA3 H 19 3.816 4.016 -0.200 1
1 138 . 13 1 1 A 19 19 GLY C C 19 173.827 173.879 -0.052 1
1 139 . 13 1 1 A 20 20 LYS N N 20 122.964 119.898 3.066 1
1 140 . 13 1 1 A 20 20 LYS H H 20 7.922 7.644 0.278 1
1 141 . 13 1 1 A 20 20 LYS CA C 20 58.100 54.897 3.203 1
1 142 . 13 1 1 A 20 20 LYS HA H 20 3.891 4.845 -0.954 1
1 143 . 13 1 1 A 20 20 LYS CB C 20 33.635 35.548 -1.913 1
1 155 . 13 1 1 A 20 20 LYS C C 20 173.610 174.370 -0.760 1
1 156 . 13 1 1 A 21 21 ALA N N 21 123.854 128.887 -5.033 1
1 157 . 13 1 1 A 21 21 ALA H H 21 7.723 8.738 -1.015 1
1 158 . 13 1 1 A 21 21 ALA CA C 21 50.412 50.224 0.188 1
1 159 . 13 1 1 A 21 21 ALA HA H 21 5.067 5.682 -0.615 1
1 160 . 13 1 1 A 21 21 ALA CB C 21 22.154 21.687 0.467 1
1 164 . 13 1 1 A 21 21 ALA C C 21 176.234 176.339 -0.105 1
1 165 . 13 1 1 A 22 22 PHE N N 22 116.521 119.001 -2.480 1
1 166 . 13 1 1 A 22 22 PHE H H 22 8.639 8.610 0.029 1
1 167 . 13 1 1 A 22 22 PHE CA C 22 57.304 56.580 0.724 1
1 168 . 13 1 1 A 22 22 PHE HA H 22 4.745 4.826 -0.081 1
1 169 . 13 1 1 A 22 22 PHE CB C 22 44.191 41.976 2.215 1
1 182 . 13 1 1 A 22 22 PHE C C 22 175.366 176.113 -0.747 1
1 183 . 13 1 1 A 23 23 SER N N 23 115.521 117.638 -2.117 1
1 184 . 13 1 1 A 23 23 SER H H 23 9.661 8.731 0.930 1
1 185 . 13 1 1 A 23 23 SER CA C 23 59.967 62.063 -2.096 1
1 186 . 13 1 1 A 23 23 SER HA H 23 4.679 4.329 0.350 1
1 187 . 13 1 1 A 23 23 SER CB C 23 64.445 63.113 1.332 1
1 190 . 13 1 1 A 23 23 SER C C 23 174.027 175.155 -1.128 1
1 191 . 13 1 1 A 24 24 GLN N N 24 115.852 119.089 -3.237 1
1 192 . 13 1 1 A 24 24 GLN H H 24 7.218 8.123 -0.905 1
1 193 . 13 1 1 A 24 24 GLN CA C 24 53.982 54.417 -0.435 1
1 194 . 13 1 1 A 24 24 GLN HA H 24 4.834 4.728 0.106 1
1 195 . 13 1 1 A 24 24 GLN CB C 24 32.152 30.247 1.905 1
1 204 . 13 1 1 A 24 24 GLN C C 24 176.620 176.581 0.039 1
1 205 . 13 1 1 A 25 25 THR CA C 25 65.709 64.467 1.242 1
1 206 . 13 1 1 A 25 25 THR HA H 25 3.211 3.626 -0.415 1
1 207 . 13 1 1 A 25 25 THR CB C 25 67.811 68.406 -0.595 1
1 213 . 13 1 1 A 25 25 THR C C 25 176.919 176.263 0.656 1
1 214 . 13 1 1 A 26 26 THR N N 26 112.897 117.984 -5.087 1
1 215 . 13 1 1 A 26 26 THR H H 26 7.831 8.151 -0.320 1
1 216 . 13 1 1 A 26 26 THR CA C 26 65.080 64.888 0.192 1
1 217 . 13 1 1 A 26 26 THR HA H 26 3.757 3.961 -0.204 1
1 218 . 13 1 1 A 26 26 THR CB C 26 68.011 68.692 -0.681 1
1 224 . 13 1 1 A 26 26 THR C C 26 176.443 176.106 0.337 1
1 225 . 13 1 1 A 27 27 HIS N N 27 119.551 121.225 -1.674 1
1 226 . 13 1 1 A 27 27 HIS H H 27 6.604 7.725 -1.121 1
1 227 . 13 1 1 A 27 27 HIS CA C 27 56.982 59.930 -2.948 1
1 228 . 13 1 1 A 27 27 HIS HA H 27 4.367 4.209 0.158 1
1 229 . 13 1 1 A 27 27 HIS CB C 27 31.824 30.320 1.504 1
1 236 . 13 1 1 A 27 27 HIS C C 27 178.059 176.309 1.750 1
1 237 . 13 1 1 A 28 28 LEU N N 28 121.872 119.903 1.969 1
1 238 . 13 1 1 A 28 28 LEU H H 28 6.995 7.704 -0.709 1
1 239 . 13 1 1 A 28 28 LEU CA C 28 57.919 57.749 0.170 1
1 240 . 13 1 1 A 28 28 LEU HA H 28 3.210 3.175 0.035 1
1 241 . 13 1 1 A 28 28 LEU CB C 28 40.630 41.718 -1.088 1
1 254 . 13 1 1 A 28 28 LEU C C 28 177.447 178.494 -1.047 1
1 255 . 13 1 1 A 29 29 ILE N N 29 119.734 120.124 -0.390 1
1 256 . 13 1 1 A 29 29 ILE H H 29 8.121 7.887 0.234 1
1 257 . 13 1 1 A 29 29 ILE CA C 29 64.592 65.434 -0.842 1
1 258 . 13 1 1 A 29 29 ILE HA H 29 3.681 3.477 0.204 1
1 259 . 13 1 1 A 29 29 ILE CB C 29 37.668 37.809 -0.141 1
1 272 . 13 1 1 A 29 29 ILE C C 29 179.288 178.044 1.244 1
1 273 . 13 1 1 A 30 30 GLN N N 30 117.944 118.023 -0.079 1
1 274 . 13 1 1 A 30 30 GLN H H 30 7.660 7.670 -0.010 1
1 275 . 13 1 1 A 30 30 GLN CA C 30 58.702 58.965 -0.263 1
1 276 . 13 1 1 A 30 30 GLN HA H 30 3.893 3.986 -0.093 1
1 277 . 13 1 1 A 30 30 GLN CB C 30 28.308 28.405 -0.097 1
1 286 . 13 1 1 A 30 30 GLN C C 30 178.753 177.811 0.942 1
1 287 . 13 1 1 A 31 31 HIS N N 31 118.960 120.414 -1.454 1
1 288 . 13 1 1 A 31 31 HIS H H 31 7.639 8.066 -0.427 1
1 289 . 13 1 1 A 31 31 HIS CA C 31 58.828 59.663 -0.835 1
1 290 . 13 1 1 A 31 31 HIS HA H 31 4.183 4.278 -0.095 1
1 291 . 13 1 1 A 31 31 HIS CB C 31 28.483 29.646 -1.163 1
1 298 . 13 1 1 A 31 31 HIS C C 31 175.999 176.730 -0.731 1
1 299 . 13 1 1 A 32 32 GLN N N 32 115.694 117.283 -1.589 1
1 300 . 13 1 1 A 32 32 GLN H H 32 8.201 8.437 -0.236 1
1 301 . 13 1 1 A 32 32 GLN CA C 32 59.179 59.242 -0.063 1
1 302 . 13 1 1 A 32 32 GLN HA H 32 3.596 3.929 -0.333 1
1 303 . 13 1 1 A 32 32 GLN CB C 32 28.048 28.305 -0.257 1
1 312 . 13 1 1 A 32 32 GLN C C 32 177.337 178.444 -1.107 1
1 313 . 13 1 1 A 33 33 ARG N N 33 117.574 120.453 -2.879 1
1 314 . 13 1 1 A 33 33 ARG H H 33 7.079 7.802 -0.723 1
1 315 . 13 1 1 A 33 33 ARG CA C 33 58.431 59.200 -0.769 1
1 316 . 13 1 1 A 33 33 ARG HA H 33 4.090 3.943 0.147 1
1 317 . 13 1 1 A 33 33 ARG CB C 33 29.971 29.779 0.192 1
1 325 . 13 1 1 A 33 33 ARG C C 33 178.500 178.845 -0.345 1
1 326 . 13 1 1 A 34 34 VAL N N 34 116.091 117.060 -0.969 1
1 327 . 13 1 1 A 34 34 VAL H H 34 7.860 8.072 -0.212 1
1 328 . 13 1 1 A 34 34 VAL CA C 34 63.986 65.194 -1.208 1
1 329 . 13 1 1 A 34 34 VAL HA H 34 3.853 3.700 0.153 1
1 330 . 13 1 1 A 34 34 VAL CB C 34 31.100 31.083 0.017 1
1 340 . 13 1 1 A 34 34 VAL C C 34 177.255 176.882 0.373 1
1 341 . 13 1 1 A 35 35 HIS N N 35 117.210 119.949 -2.739 1
1 342 . 13 1 1 A 35 35 HIS H H 35 7.164 7.827 -0.663 1
1 343 . 13 1 1 A 35 35 HIS CA C 35 55.166 57.686 -2.520 1
1 344 . 13 1 1 A 35 35 HIS HA H 35 4.811 4.493 0.318 1
1 345 . 13 1 1 A 35 35 HIS CB C 35 28.575 31.425 -2.850 1
1 352 . 13 1 1 A 35 35 HIS C C 35 175.753 175.693 0.060 1
1 353 . 13 1 1 A 36 36 THR N N 36 111.834 112.561 -0.727 1
1 354 . 13 1 1 A 36 36 THR H H 36 7.736 8.003 -0.267 1
1 355 . 13 1 1 A 36 36 THR CA C 36 62.474 61.043 1.431 1
1 356 . 13 1 1 A 36 36 THR HA H 36 4.296 4.472 -0.176 1
1 357 . 13 1 1 A 36 36 THR CB C 36 69.785 69.613 0.172 1
1 363 . 13 1 1 A 36 36 THR C C 36 175.464 174.380 1.084 1
1 364 . 13 1 1 A 37 37 GLY N N 37 110.633 109.463 1.170 1
1 365 . 13 1 1 A 37 37 GLY H H 37 8.203 7.375 0.828 1
1 366 . 13 1 1 A 37 37 GLY CA C 37 45.294 45.684 -0.390 1
1 367 . 13 1 1 A 37 37 GLY HA2 H 37 3.963 4.089 -0.126 1
1 368 . 13 1 1 A 37 37 GLY HA3 H 37 3.898 4.098 -0.200 1
1 369 . 13 1 1 A 37 37 GLY C C 37 174.023 174.246 -0.223 1
1 370 . 13 1 1 A 38 38 GLU N N 38 120.541 117.445 3.096 1
1 371 . 13 1 1 A 38 38 GLU H H 38 8.056 8.479 -0.423 1
1 372 . 13 1 1 A 38 38 GLU CA C 38 56.376 56.699 -0.323 1
1 373 . 13 1 1 A 38 38 GLU HA H 38 4.185 4.346 -0.161 1
1 374 . 13 1 1 A 38 38 GLU CB C 38 30.483 29.545 0.938 1
1 380 . 13 1 1 A 38 38 GLU C C 38 176.222 175.728 0.494 1
1 381 . 13 1 1 A 39 39 LYS N N 39 123.877 121.232 2.645 1
1 382 . 13 1 1 A 39 39 LYS H H 39 8.382 7.403 0.979 1
1 383 . 13 1 1 A 39 39 LYS CA C 39 54.071 53.118 0.953 1
1 384 . 13 1 1 A 39 39 LYS HA H 39 4.545 4.859 -0.314 1
1 385 . 13 1 1 A 39 39 LYS CB C 39 32.423 35.911 -3.488 1
1 396 . 13 1 1 A 39 39 LYS C C 39 174.477 174.868 -0.391 1
1 397 . 13 1 1 A 40 40 PRO CA C 40 63.142 62.279 0.863 1
1 398 . 13 1 1 A 40 40 PRO HA H 40 4.399 4.580 -0.181 1
1 399 . 13 1 1 A 40 40 PRO CB C 40 32.100 32.447 -0.347 1
1 408 . 13 1 1 A 40 40 PRO C C 40 176.965 176.445 0.520 1
1 409 . 13 1 1 A 41 41 SER N N 41 116.545 117.371 -0.826 1
1 410 . 13 1 1 A 41 41 SER H H 41 8.456 8.445 0.011 1
1 411 . 13 1 1 A 41 41 SER CA C 41 58.303 59.105 -0.802 1
1 412 . 13 1 1 A 41 41 SER HA H 41 4.418 4.650 -0.232 1
1 413 . 13 1 1 A 41 41 SER CB C 41 64.033 64.169 -0.136 1
1 416 . 13 1 1 A 41 41 SER C C 41 174.604 174.818 -0.214 1
1 417 . 13 1 1 A 42 42 GLY CA C 42 44.595 44.769 -0.174 1
1 418 . 13 1 1 A 42 42 GLY HA2 H 42 4.043 4.016 0.027 1
1 419 . 13 1 1 A 42 42 GLY HA3 H 42 4.102 4.016 0.086 1
1 420 . 13 1 1 A 43 43 PRO CA C 43 63.183 63.532 -0.349 1
1 421 . 13 1 1 A 43 43 PRO HA H 43 4.409 4.545 -0.136 1
1 422 . 13 1 1 A 43 43 PRO CB C 43 32.160 32.221 -0.061 1
1 431 . 13 1 1 A 45 45 SER CA C 45 58.358 61.178 -2.820 1
1 432 . 13 1 1 A 45 45 SER HA H 45 4.458 4.310 0.148 1
1 433 . 13 1 1 A 45 45 SER CB C 45 64.035 62.754 1.281 1
1 435 . 13 1 1 A 45 45 SER C C 45 173.906 176.810 -2.904 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.360 44.894 0.466 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 3.977 4.265 -0.288 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 3.977 4.265 -0.288 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.507 171.995 2.512 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.829 119.140 -6.311 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.115 8.985 -0.870 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.759 60.449 1.310 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.312 4.778 -0.466 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.817 68.486 1.331 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.249 173.525 1.724 1
1 16 . 14 1 1 A 9 9 GLY N N 9 110.896 113.589 -2.693 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.416 8.321 0.095 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.299 46.122 -0.823 1
1 19 . 14 1 1 A 9 9 GLY HA2 H 9 3.900 4.150 -0.250 1
1 20 . 14 1 1 A 9 9 GLY HA3 H 9 3.900 4.152 -0.252 1
1 21 . 14 1 1 A 9 9 GLY C C 9 174.082 174.502 -0.420 1
1 22 . 14 1 1 A 10 10 GLU N N 10 120.023 121.159 -1.136 1
1 23 . 14 1 1 A 10 10 GLU H H 10 8.184 8.440 -0.256 1
1 24 . 14 1 1 A 10 10 GLU CA C 10 56.936 57.508 -0.572 1
1 25 . 14 1 1 A 10 10 GLU HA H 10 4.102 3.873 0.229 1
1 26 . 14 1 1 A 10 10 GLU CB C 10 30.327 28.728 1.599 1
1 32 . 14 1 1 A 10 10 GLU C C 10 176.503 175.180 1.323 1
1 33 . 14 1 1 A 11 11 LYS N N 11 121.280 119.620 1.660 1
1 34 . 14 1 1 A 11 11 LYS H H 11 8.281 8.059 0.222 1
1 35 . 14 1 1 A 11 11 LYS CA C 11 53.669 53.624 0.045 1
1 36 . 14 1 1 A 11 11 LYS HA H 11 4.388 4.615 -0.227 1
1 37 . 14 1 1 A 11 11 LYS CB C 11 33.080 32.408 0.672 1
1 49 . 14 1 1 A 11 11 LYS C C 11 173.641 176.257 -2.616 1
1 50 . 14 1 1 A 12 12 PRO CA C 12 63.359 63.891 -0.532 1
1 51 . 14 1 1 A 12 12 PRO HA H 12 4.181 4.293 -0.112 1
1 52 . 14 1 1 A 12 12 PRO CB C 12 32.233 31.132 1.101 1
1 61 . 14 1 1 A 12 12 PRO C C 12 176.415 175.563 0.852 1
1 62 . 14 1 1 A 13 13 TYR N N 13 118.435 118.793 -0.358 1
1 63 . 14 1 1 A 13 13 TYR H H 13 7.798 7.397 0.401 1
1 64 . 14 1 1 A 13 13 TYR CA C 13 57.003 56.871 0.132 1
1 65 . 14 1 1 A 13 13 TYR HA H 13 4.666 5.342 -0.676 1
1 66 . 14 1 1 A 13 13 TYR CB C 13 38.081 40.630 -2.549 1
1 77 . 14 1 1 A 13 13 TYR C C 13 174.560 174.307 0.253 1
1 78 . 14 1 1 A 14 14 GLU N N 14 124.052 124.974 -0.922 1
1 79 . 14 1 1 A 14 14 GLU H H 14 8.452 9.151 -0.699 1
1 80 . 14 1 1 A 14 14 GLU CA C 14 55.017 54.805 0.212 1
1 81 . 14 1 1 A 14 14 GLU HA H 14 4.842 5.502 -0.660 1
1 82 . 14 1 1 A 14 14 GLU CB C 14 32.845 33.699 -0.854 1
1 88 . 14 1 1 A 14 14 GLU C C 14 175.274 174.374 0.900 1
1 89 . 14 1 1 A 15 15 CYS N N 15 126.436 123.170 3.266 1
1 90 . 14 1 1 A 15 15 CYS H H 15 9.246 8.865 0.381 1
1 91 . 14 1 1 A 15 15 CYS CA C 15 59.316 57.664 1.652 1
1 92 . 14 1 1 A 15 15 CYS HA H 15 4.516 4.904 -0.388 1
1 93 . 14 1 1 A 15 15 CYS CB C 15 29.534 30.341 -0.807 1
1 96 . 14 1 1 A 15 15 CYS C C 15 177.358 175.746 1.612 1
1 97 . 14 1 1 A 16 16 LYS N N 16 117.311 128.383 -11.072 1
1 98 . 14 1 1 A 16 16 LYS H H 16 9.330 9.037 0.293 1
1 99 . 14 1 1 A 16 16 LYS CA C 16 58.072 56.705 1.367 1
1 100 . 14 1 1 A 16 16 LYS HA H 16 4.136 4.452 -0.316 1
1 101 . 14 1 1 A 16 16 LYS CB C 16 31.984 32.303 -0.319 1
1 113 . 14 1 1 A 16 16 LYS C C 16 177.050 176.938 0.112 1
1 114 . 14 1 1 A 17 17 GLU N N 17 119.733 117.679 2.054 1
1 115 . 14 1 1 A 17 17 GLU H H 17 8.535 7.861 0.674 1
1 116 . 14 1 1 A 17 17 GLU CA C 17 58.258 56.784 1.474 1
1 117 . 14 1 1 A 17 17 GLU HA H 17 4.129 4.433 -0.304 1
1 118 . 14 1 1 A 17 17 GLU CB C 17 29.273 31.516 -2.243 1
1 124 . 14 1 1 A 17 17 GLU C C 17 177.315 177.757 -0.442 1
1 125 . 14 1 1 A 18 18 CYS N N 18 129.046 115.141 13.905 1
1 126 . 14 1 1 A 18 18 CYS H H 18 7.834 8.014 -0.180 1
1 127 . 14 1 1 A 18 18 CYS CA C 18 58.321 59.452 -1.131 1
1 128 . 14 1 1 A 18 18 CYS HA H 18 5.122 4.786 0.336 1
1 129 . 14 1 1 A 18 18 CYS CB C 18 32.639 30.292 2.347 1
1 132 . 14 1 1 A 18 18 CYS C C 18 176.226 175.766 0.460 1
1 133 . 14 1 1 A 19 19 GLY N N 19 113.826 110.108 3.718 1
1 134 . 14 1 1 A 19 19 GLY H H 19 8.242 8.463 -0.221 1
1 135 . 14 1 1 A 19 19 GLY CA C 19 46.088 46.113 -0.025 1
1 136 . 14 1 1 A 19 19 GLY HA2 H 19 4.179 4.031 0.148 1
1 137 . 14 1 1 A 19 19 GLY HA3 H 19 3.816 4.039 -0.223 1
1 138 . 14 1 1 A 19 19 GLY C C 19 173.827 173.863 -0.036 1
1 139 . 14 1 1 A 20 20 LYS N N 20 122.964 119.972 2.992 1
1 140 . 14 1 1 A 20 20 LYS H H 20 7.922 7.644 0.278 1
1 141 . 14 1 1 A 20 20 LYS CA C 20 58.100 54.818 3.282 1
1 142 . 14 1 1 A 20 20 LYS HA H 20 3.891 4.836 -0.945 1
1 143 . 14 1 1 A 20 20 LYS CB C 20 33.635 35.638 -2.003 1
1 155 . 14 1 1 A 20 20 LYS C C 20 173.610 174.423 -0.813 1
1 156 . 14 1 1 A 21 21 ALA N N 21 123.854 128.463 -4.609 1
1 157 . 14 1 1 A 21 21 ALA H H 21 7.723 8.787 -1.064 1
1 158 . 14 1 1 A 21 21 ALA CA C 21 50.412 50.133 0.279 1
1 159 . 14 1 1 A 21 21 ALA HA H 21 5.067 5.843 -0.776 1
1 160 . 14 1 1 A 21 21 ALA CB C 21 22.154 21.653 0.501 1
1 164 . 14 1 1 A 21 21 ALA C C 21 176.234 175.997 0.237 1
1 165 . 14 1 1 A 22 22 PHE N N 22 116.521 119.156 -2.635 1
1 166 . 14 1 1 A 22 22 PHE H H 22 8.639 9.328 -0.689 1
1 167 . 14 1 1 A 22 22 PHE CA C 22 57.304 56.616 0.688 1
1 168 . 14 1 1 A 22 22 PHE HA H 22 4.745 5.049 -0.304 1
1 169 . 14 1 1 A 22 22 PHE CB C 22 44.191 41.944 2.247 1
1 182 . 14 1 1 A 22 22 PHE C C 22 175.366 176.164 -0.798 1
1 183 . 14 1 1 A 23 23 SER N N 23 115.521 119.100 -3.579 1
1 184 . 14 1 1 A 23 23 SER H H 23 9.661 8.935 0.726 1
1 185 . 14 1 1 A 23 23 SER CA C 23 59.967 61.594 -1.627 1
1 186 . 14 1 1 A 23 23 SER HA H 23 4.679 4.332 0.347 1
1 187 . 14 1 1 A 23 23 SER CB C 23 64.445 62.835 1.610 1
1 190 . 14 1 1 A 23 23 SER C C 23 174.027 174.996 -0.969 1
1 191 . 14 1 1 A 24 24 GLN N N 24 115.852 120.387 -4.535 1
1 192 . 14 1 1 A 24 24 GLN H H 24 7.218 7.842 -0.624 1
1 193 . 14 1 1 A 24 24 GLN CA C 24 53.982 54.233 -0.251 1
1 194 . 14 1 1 A 24 24 GLN HA H 24 4.834 4.695 0.139 1
1 195 . 14 1 1 A 24 24 GLN CB C 24 32.152 30.863 1.289 1
1 204 . 14 1 1 A 24 24 GLN C C 24 176.620 175.726 0.894 1
1 205 . 14 1 1 A 25 25 THR CA C 25 65.709 65.720 -0.011 1
1 206 . 14 1 1 A 25 25 THR HA H 25 3.211 3.174 0.037 1
1 207 . 14 1 1 A 25 25 THR CB C 25 67.811 68.510 -0.699 1
1 213 . 14 1 1 A 25 25 THR C C 25 176.919 175.616 1.303 1
1 214 . 14 1 1 A 26 26 THR N N 26 112.897 115.954 -3.057 1
1 215 . 14 1 1 A 26 26 THR H H 26 7.831 8.112 -0.281 1
1 216 . 14 1 1 A 26 26 THR CA C 26 65.080 65.123 -0.043 1
1 217 . 14 1 1 A 26 26 THR HA H 26 3.757 3.941 -0.184 1
1 218 . 14 1 1 A 26 26 THR CB C 26 68.011 68.738 -0.727 1
1 224 . 14 1 1 A 26 26 THR C C 26 176.443 176.812 -0.369 1
1 225 . 14 1 1 A 27 27 HIS N N 27 119.551 119.404 0.147 1
1 226 . 14 1 1 A 27 27 HIS H H 27 6.604 7.822 -1.218 1
1 227 . 14 1 1 A 27 27 HIS CA C 27 56.982 59.745 -2.763 1
1 228 . 14 1 1 A 27 27 HIS HA H 27 4.367 4.237 0.130 1
1 229 . 14 1 1 A 27 27 HIS CB C 27 31.824 30.183 1.641 1
1 236 . 14 1 1 A 27 27 HIS C C 27 178.059 177.497 0.562 1
1 237 . 14 1 1 A 28 28 LEU N N 28 121.872 120.106 1.766 1
1 238 . 14 1 1 A 28 28 LEU H H 28 6.995 7.413 -0.418 1
1 239 . 14 1 1 A 28 28 LEU CA C 28 57.919 57.584 0.335 1
1 240 . 14 1 1 A 28 28 LEU HA H 28 3.210 2.545 0.665 1
1 241 . 14 1 1 A 28 28 LEU CB C 28 40.630 41.650 -1.020 1
1 254 . 14 1 1 A 28 28 LEU C C 28 177.447 178.246 -0.799 1
1 255 . 14 1 1 A 29 29 ILE N N 29 119.734 120.155 -0.421 1
1 256 . 14 1 1 A 29 29 ILE H H 29 8.121 7.885 0.236 1
1 257 . 14 1 1 A 29 29 ILE CA C 29 64.592 65.341 -0.749 1
1 258 . 14 1 1 A 29 29 ILE HA H 29 3.681 3.459 0.222 1
1 259 . 14 1 1 A 29 29 ILE CB C 29 37.668 37.623 0.045 1
1 272 . 14 1 1 A 29 29 ILE C C 29 179.288 177.650 1.638 1
1 273 . 14 1 1 A 30 30 GLN N N 30 117.944 117.766 0.178 1
1 274 . 14 1 1 A 30 30 GLN H H 30 7.660 8.032 -0.372 1
1 275 . 14 1 1 A 30 30 GLN CA C 30 58.702 58.495 0.207 1
1 276 . 14 1 1 A 30 30 GLN HA H 30 3.893 4.015 -0.122 1
1 277 . 14 1 1 A 30 30 GLN CB C 30 28.308 29.038 -0.730 1
1 286 . 14 1 1 A 30 30 GLN C C 30 178.753 178.441 0.312 1
1 287 . 14 1 1 A 31 31 HIS N N 31 118.960 121.348 -2.388 1
1 288 . 14 1 1 A 31 31 HIS H H 31 7.639 7.879 -0.240 1
1 289 . 14 1 1 A 31 31 HIS CA C 31 58.828 59.368 -0.540 1
1 290 . 14 1 1 A 31 31 HIS HA H 31 4.183 4.194 -0.011 1
1 291 . 14 1 1 A 31 31 HIS CB C 31 28.483 29.639 -1.156 1
1 298 . 14 1 1 A 31 31 HIS C C 31 175.999 177.212 -1.213 1
1 299 . 14 1 1 A 32 32 GLN N N 32 115.694 118.297 -2.603 1
1 300 . 14 1 1 A 32 32 GLN H H 32 8.201 8.267 -0.066 1
1 301 . 14 1 1 A 32 32 GLN CA C 32 59.179 59.181 -0.002 1
1 302 . 14 1 1 A 32 32 GLN HA H 32 3.596 4.029 -0.433 1
1 303 . 14 1 1 A 32 32 GLN CB C 32 28.048 28.300 -0.252 1
1 312 . 14 1 1 A 32 32 GLN C C 32 177.337 178.827 -1.490 1
1 313 . 14 1 1 A 33 33 ARG N N 33 117.574 120.080 -2.506 1
1 314 . 14 1 1 A 33 33 ARG H H 33 7.079 8.000 -0.921 1
1 315 . 14 1 1 A 33 33 ARG CA C 33 58.431 59.094 -0.663 1
1 316 . 14 1 1 A 33 33 ARG HA H 33 4.090 4.058 0.032 1
1 317 . 14 1 1 A 33 33 ARG CB C 33 29.971 30.036 -0.065 1
1 325 . 14 1 1 A 33 33 ARG C C 33 178.500 179.243 -0.743 1
1 326 . 14 1 1 A 34 34 VAL N N 34 116.091 116.622 -0.531 1
1 327 . 14 1 1 A 34 34 VAL H H 34 7.860 7.687 0.173 1
1 328 . 14 1 1 A 34 34 VAL CA C 34 63.986 64.969 -0.983 1
1 329 . 14 1 1 A 34 34 VAL HA H 34 3.853 3.734 0.119 1
1 330 . 14 1 1 A 34 34 VAL CB C 34 31.100 31.079 0.021 1
1 340 . 14 1 1 A 34 34 VAL C C 34 177.255 176.369 0.886 1
1 341 . 14 1 1 A 35 35 HIS N N 35 117.210 119.364 -2.154 1
1 342 . 14 1 1 A 35 35 HIS H H 35 7.164 7.712 -0.548 1
1 343 . 14 1 1 A 35 35 HIS CA C 35 55.166 55.551 -0.385 1
1 344 . 14 1 1 A 35 35 HIS HA H 35 4.811 4.606 0.205 1
1 345 . 14 1 1 A 35 35 HIS CB C 35 28.575 29.109 -0.534 1
1 352 . 14 1 1 A 35 35 HIS C C 35 175.753 175.385 0.368 1
1 353 . 14 1 1 A 36 36 THR N N 36 111.834 115.239 -3.405 1
1 354 . 14 1 1 A 36 36 THR H H 36 7.736 7.538 0.198 1
1 355 . 14 1 1 A 36 36 THR CA C 36 62.474 61.608 0.866 1
1 356 . 14 1 1 A 36 36 THR HA H 36 4.296 4.408 -0.112 1
1 357 . 14 1 1 A 36 36 THR CB C 36 69.785 68.654 1.131 1
1 363 . 14 1 1 A 36 36 THR C C 36 175.464 174.615 0.849 1
1 364 . 14 1 1 A 37 37 GLY N N 37 110.633 110.508 0.125 1
1 365 . 14 1 1 A 37 37 GLY H H 37 8.203 8.022 0.181 1
1 366 . 14 1 1 A 37 37 GLY CA C 37 45.294 45.653 -0.359 1
1 367 . 14 1 1 A 37 37 GLY HA2 H 37 3.963 3.955 0.008 1
1 368 . 14 1 1 A 37 37 GLY HA3 H 37 3.898 3.965 -0.067 1
1 369 . 14 1 1 A 37 37 GLY C C 37 174.023 174.713 -0.690 1
1 370 . 14 1 1 A 38 38 GLU N N 38 120.541 125.094 -4.553 1
1 371 . 14 1 1 A 38 38 GLU H H 38 8.056 8.852 -0.796 1
1 372 . 14 1 1 A 38 38 GLU CA C 38 56.376 57.234 -0.858 1
1 373 . 14 1 1 A 38 38 GLU HA H 38 4.185 3.941 0.244 1
1 374 . 14 1 1 A 38 38 GLU CB C 38 30.483 28.323 2.160 1
1 380 . 14 1 1 A 38 38 GLU C C 38 176.222 175.262 0.960 1
1 381 . 14 1 1 A 39 39 LYS N N 39 123.877 119.244 4.633 1
1 382 . 14 1 1 A 39 39 LYS H H 39 8.382 7.877 0.505 1
1 383 . 14 1 1 A 39 39 LYS CA C 39 54.071 53.469 0.602 1
1 384 . 14 1 1 A 39 39 LYS HA H 39 4.545 4.684 -0.139 1
1 385 . 14 1 1 A 39 39 LYS CB C 39 32.423 32.504 -0.081 1
1 396 . 14 1 1 A 39 39 LYS C C 39 174.477 174.324 0.153 1
1 397 . 14 1 1 A 40 40 PRO CA C 40 63.142 62.776 0.366 1
1 398 . 14 1 1 A 40 40 PRO HA H 40 4.399 4.564 -0.165 1
1 399 . 14 1 1 A 40 40 PRO CB C 40 32.100 31.500 0.600 1
1 408 . 14 1 1 A 40 40 PRO C C 40 176.965 177.215 -0.250 1
1 409 . 14 1 1 A 41 41 SER N N 41 116.545 116.399 0.146 1
1 410 . 14 1 1 A 41 41 SER H H 41 8.456 8.594 -0.138 1
1 411 . 14 1 1 A 41 41 SER CA C 41 58.303 59.605 -1.302 1
1 412 . 14 1 1 A 41 41 SER HA H 41 4.418 4.318 0.100 1
1 413 . 14 1 1 A 41 41 SER CB C 41 64.033 62.932 1.101 1
1 416 . 14 1 1 A 41 41 SER C C 41 174.604 174.134 0.470 1
1 417 . 14 1 1 A 42 42 GLY CA C 42 44.595 46.079 -1.484 1
1 418 . 14 1 1 A 42 42 GLY HA2 H 42 4.043 4.195 -0.152 1
1 419 . 14 1 1 A 42 42 GLY HA3 H 42 4.102 4.196 -0.094 1
1 420 . 14 1 1 A 43 43 PRO CA C 43 63.183 64.778 -1.595 1
1 421 . 14 1 1 A 43 43 PRO HA H 43 4.409 4.378 0.031 1
1 422 . 14 1 1 A 43 43 PRO CB C 43 32.160 32.009 0.151 1
1 431 . 14 1 1 A 45 45 SER CA C 45 58.358 57.245 1.113 1
1 432 . 14 1 1 A 45 45 SER HA H 45 4.458 4.761 -0.303 1
1 433 . 14 1 1 A 45 45 SER CB C 45 64.035 65.919 -1.884 1
1 435 . 14 1 1 A 45 45 SER C C 45 173.906 174.337 -0.431 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.360 43.961 1.399 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 3.977 4.111 -0.134 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 3.977 4.114 -0.137 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.507 171.987 2.520 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.829 114.092 -1.263 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.115 8.267 -0.152 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.759 59.295 2.464 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.312 5.133 -0.821 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.817 72.226 -2.409 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.249 173.510 1.739 1
1 16 . 15 1 1 A 9 9 GLY N N 9 110.896 114.320 -3.424 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.416 8.299 0.117 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.299 44.055 1.244 1
1 19 . 15 1 1 A 9 9 GLY HA2 H 9 3.900 4.118 -0.218 1
1 20 . 15 1 1 A 9 9 GLY HA3 H 9 3.900 4.120 -0.220 1
1 21 . 15 1 1 A 9 9 GLY C C 9 174.082 172.876 1.206 1
1 22 . 15 1 1 A 10 10 GLU N N 10 120.023 116.147 3.876 1
1 23 . 15 1 1 A 10 10 GLU H H 10 8.184 8.353 -0.169 1
1 24 . 15 1 1 A 10 10 GLU CA C 10 56.936 54.596 2.340 1
1 25 . 15 1 1 A 10 10 GLU HA H 10 4.102 4.961 -0.859 1
1 26 . 15 1 1 A 10 10 GLU CB C 10 30.327 33.226 -2.899 1
1 32 . 15 1 1 A 10 10 GLU C C 10 176.503 174.917 1.586 1
1 33 . 15 1 1 A 11 11 LYS N N 11 121.280 122.510 -1.230 1
1 34 . 15 1 1 A 11 11 LYS H H 11 8.281 8.700 -0.419 1
1 35 . 15 1 1 A 11 11 LYS CA C 11 53.669 54.001 -0.332 1
1 36 . 15 1 1 A 11 11 LYS HA H 11 4.388 4.570 -0.182 1
1 37 . 15 1 1 A 11 11 LYS CB C 11 33.080 31.837 1.243 1
1 49 . 15 1 1 A 11 11 LYS C C 11 173.641 176.273 -2.632 1
1 50 . 15 1 1 A 12 12 PRO CA C 12 63.359 63.794 -0.435 1
1 51 . 15 1 1 A 12 12 PRO HA H 12 4.181 4.267 -0.086 1
1 52 . 15 1 1 A 12 12 PRO CB C 12 32.233 30.982 1.251 1
1 61 . 15 1 1 A 12 12 PRO C C 12 176.415 175.469 0.946 1
1 62 . 15 1 1 A 13 13 TYR N N 13 118.435 119.071 -0.636 1
1 63 . 15 1 1 A 13 13 TYR H H 13 7.798 7.426 0.372 1
1 64 . 15 1 1 A 13 13 TYR CA C 13 57.003 56.521 0.482 1
1 65 . 15 1 1 A 13 13 TYR HA H 13 4.666 5.420 -0.754 1
1 66 . 15 1 1 A 13 13 TYR CB C 13 38.081 42.651 -4.570 1
1 77 . 15 1 1 A 13 13 TYR C C 13 174.560 174.310 0.250 1
1 78 . 15 1 1 A 14 14 GLU N N 14 124.052 123.899 0.153 1
1 79 . 15 1 1 A 14 14 GLU H H 14 8.452 8.894 -0.442 1
1 80 . 15 1 1 A 14 14 GLU CA C 14 55.017 55.841 -0.824 1
1 81 . 15 1 1 A 14 14 GLU HA H 14 4.842 4.972 -0.130 1
1 82 . 15 1 1 A 14 14 GLU CB C 14 32.845 33.723 -0.878 1
1 88 . 15 1 1 A 14 14 GLU C C 14 175.274 175.185 0.089 1
1 89 . 15 1 1 A 15 15 CYS N N 15 126.436 124.967 1.469 1
1 90 . 15 1 1 A 15 15 CYS H H 15 9.246 9.287 -0.041 1
1 91 . 15 1 1 A 15 15 CYS CA C 15 59.316 59.953 -0.637 1
1 92 . 15 1 1 A 15 15 CYS HA H 15 4.516 4.541 -0.025 1
1 93 . 15 1 1 A 15 15 CYS CB C 15 29.534 28.622 0.912 1
1 96 . 15 1 1 A 15 15 CYS C C 15 177.358 175.654 1.704 1
1 97 . 15 1 1 A 16 16 LYS N N 16 117.311 127.983 -10.672 1
1 98 . 15 1 1 A 16 16 LYS H H 16 9.330 8.918 0.412 1
1 99 . 15 1 1 A 16 16 LYS CA C 16 58.072 56.260 1.812 1
1 100 . 15 1 1 A 16 16 LYS HA H 16 4.136 4.486 -0.350 1
1 101 . 15 1 1 A 16 16 LYS CB C 16 31.984 32.318 -0.334 1
1 113 . 15 1 1 A 16 16 LYS C C 16 177.050 176.939 0.111 1
1 114 . 15 1 1 A 17 17 GLU N N 17 119.733 117.887 1.846 1
1 115 . 15 1 1 A 17 17 GLU H H 17 8.535 7.920 0.615 1
1 116 . 15 1 1 A 17 17 GLU CA C 17 58.258 56.985 1.273 1
1 117 . 15 1 1 A 17 17 GLU HA H 17 4.129 4.501 -0.372 1
1 118 . 15 1 1 A 17 17 GLU CB C 17 29.273 32.157 -2.884 1
1 124 . 15 1 1 A 17 17 GLU C C 17 177.315 177.775 -0.460 1
1 125 . 15 1 1 A 18 18 CYS N N 18 129.046 114.997 14.049 1
1 126 . 15 1 1 A 18 18 CYS H H 18 7.834 8.102 -0.268 1
1 127 . 15 1 1 A 18 18 CYS CA C 18 58.321 59.300 -0.979 1
1 128 . 15 1 1 A 18 18 CYS HA H 18 5.122 4.698 0.424 1
1 129 . 15 1 1 A 18 18 CYS CB C 18 32.639 30.223 2.416 1
1 132 . 15 1 1 A 18 18 CYS C C 18 176.226 175.524 0.702 1
1 133 . 15 1 1 A 19 19 GLY N N 19 113.826 110.016 3.810 1
1 134 . 15 1 1 A 19 19 GLY H H 19 8.242 8.389 -0.147 1
1 135 . 15 1 1 A 19 19 GLY CA C 19 46.088 46.175 -0.087 1
1 136 . 15 1 1 A 19 19 GLY HA2 H 19 4.179 3.981 0.198 1
1 137 . 15 1 1 A 19 19 GLY HA3 H 19 3.816 3.984 -0.168 1
1 138 . 15 1 1 A 19 19 GLY C C 19 173.827 173.890 -0.063 1
1 139 . 15 1 1 A 20 20 LYS N N 20 122.964 120.141 2.823 1
1 140 . 15 1 1 A 20 20 LYS H H 20 7.922 7.625 0.297 1
1 141 . 15 1 1 A 20 20 LYS CA C 20 58.100 54.859 3.241 1
1 142 . 15 1 1 A 20 20 LYS HA H 20 3.891 4.759 -0.868 1
1 143 . 15 1 1 A 20 20 LYS CB C 20 33.635 35.130 -1.495 1
1 155 . 15 1 1 A 20 20 LYS C C 20 173.610 174.298 -0.688 1
1 156 . 15 1 1 A 21 21 ALA N N 21 123.854 129.128 -5.274 1
1 157 . 15 1 1 A 21 21 ALA H H 21 7.723 8.742 -1.019 1
1 158 . 15 1 1 A 21 21 ALA CA C 21 50.412 50.043 0.369 1
1 159 . 15 1 1 A 21 21 ALA HA H 21 5.067 5.506 -0.439 1
1 160 . 15 1 1 A 21 21 ALA CB C 21 22.154 21.285 0.869 1
1 164 . 15 1 1 A 21 21 ALA C C 21 176.234 176.373 -0.139 1
1 165 . 15 1 1 A 22 22 PHE N N 22 116.521 119.339 -2.818 1
1 166 . 15 1 1 A 22 22 PHE H H 22 8.639 8.491 0.148 1
1 167 . 15 1 1 A 22 22 PHE CA C 22 57.304 56.551 0.753 1
1 168 . 15 1 1 A 22 22 PHE HA H 22 4.745 4.966 -0.221 1
1 169 . 15 1 1 A 22 22 PHE CB C 22 44.191 42.444 1.747 1
1 182 . 15 1 1 A 22 22 PHE C C 22 175.366 176.043 -0.677 1
1 183 . 15 1 1 A 23 23 SER N N 23 115.521 117.825 -2.304 1
1 184 . 15 1 1 A 23 23 SER H H 23 9.661 9.220 0.441 1
1 185 . 15 1 1 A 23 23 SER CA C 23 59.967 61.704 -1.737 1
1 186 . 15 1 1 A 23 23 SER HA H 23 4.679 4.430 0.249 1
1 187 . 15 1 1 A 23 23 SER CB C 23 64.445 63.344 1.101 1
1 190 . 15 1 1 A 23 23 SER C C 23 174.027 173.764 0.263 1
1 191 . 15 1 1 A 24 24 GLN N N 24 115.852 117.162 -1.310 1
1 192 . 15 1 1 A 24 24 GLN H H 24 7.218 7.790 -0.572 1
1 193 . 15 1 1 A 24 24 GLN CA C 24 53.982 54.108 -0.126 1
1 194 . 15 1 1 A 24 24 GLN HA H 24 4.834 4.628 0.206 1
1 195 . 15 1 1 A 24 24 GLN CB C 24 32.152 30.605 1.547 1
1 204 . 15 1 1 A 24 24 GLN C C 24 176.620 175.869 0.751 1
1 205 . 15 1 1 A 25 25 THR CA C 25 65.709 65.444 0.265 1
1 206 . 15 1 1 A 25 25 THR HA H 25 3.211 3.313 -0.102 1
1 207 . 15 1 1 A 25 25 THR CB C 25 67.811 67.916 -0.105 1
1 213 . 15 1 1 A 25 25 THR C C 25 176.919 175.916 1.003 1
1 214 . 15 1 1 A 26 26 THR N N 26 112.897 115.811 -2.914 1
1 215 . 15 1 1 A 26 26 THR H H 26 7.831 7.867 -0.036 1
1 216 . 15 1 1 A 26 26 THR CA C 26 65.080 65.024 0.056 1
1 217 . 15 1 1 A 26 26 THR HA H 26 3.757 3.902 -0.145 1
1 218 . 15 1 1 A 26 26 THR CB C 26 68.011 68.635 -0.624 1
1 224 . 15 1 1 A 26 26 THR C C 26 176.443 177.083 -0.640 1
1 225 . 15 1 1 A 27 27 HIS N N 27 119.551 119.235 0.316 1
1 226 . 15 1 1 A 27 27 HIS H H 27 6.604 7.604 -1.000 1
1 227 . 15 1 1 A 27 27 HIS CA C 27 56.982 59.553 -2.571 1
1 228 . 15 1 1 A 27 27 HIS HA H 27 4.367 4.100 0.267 1
1 229 . 15 1 1 A 27 27 HIS CB C 27 31.824 29.830 1.994 1
1 236 . 15 1 1 A 27 27 HIS C C 27 178.059 177.366 0.693 1
1 237 . 15 1 1 A 28 28 LEU N N 28 121.872 120.058 1.814 1
1 238 . 15 1 1 A 28 28 LEU H H 28 6.995 7.584 -0.589 1
1 239 . 15 1 1 A 28 28 LEU CA C 28 57.919 58.000 -0.081 1
1 240 . 15 1 1 A 28 28 LEU HA H 28 3.210 3.573 -0.363 1
1 241 . 15 1 1 A 28 28 LEU CB C 28 40.630 41.655 -1.025 1
1 254 . 15 1 1 A 28 28 LEU C C 28 177.447 178.548 -1.101 1
1 255 . 15 1 1 A 29 29 ILE N N 29 119.734 119.968 -0.234 1
1 256 . 15 1 1 A 29 29 ILE H H 29 8.121 7.921 0.200 1
1 257 . 15 1 1 A 29 29 ILE CA C 29 64.592 65.686 -1.094 1
1 258 . 15 1 1 A 29 29 ILE HA H 29 3.681 3.493 0.188 1
1 259 . 15 1 1 A 29 29 ILE CB C 29 37.668 37.877 -0.209 1
1 272 . 15 1 1 A 29 29 ILE C C 29 179.288 177.944 1.344 1
1 273 . 15 1 1 A 30 30 GLN N N 30 117.944 118.011 -0.067 1
1 274 . 15 1 1 A 30 30 GLN H H 30 7.660 7.598 0.062 1
1 275 . 15 1 1 A 30 30 GLN CA C 30 58.702 59.269 -0.567 1
1 276 . 15 1 1 A 30 30 GLN HA H 30 3.893 3.947 -0.054 1
1 277 . 15 1 1 A 30 30 GLN CB C 30 28.308 28.856 -0.548 1
1 286 . 15 1 1 A 30 30 GLN C C 30 178.753 177.823 0.930 1
1 287 . 15 1 1 A 31 31 HIS N N 31 118.960 120.010 -1.050 1
1 288 . 15 1 1 A 31 31 HIS H H 31 7.639 7.908 -0.269 1
1 289 . 15 1 1 A 31 31 HIS CA C 31 58.828 59.697 -0.869 1
1 290 . 15 1 1 A 31 31 HIS HA H 31 4.183 4.243 -0.060 1
1 291 . 15 1 1 A 31 31 HIS CB C 31 28.483 29.479 -0.996 1
1 298 . 15 1 1 A 31 31 HIS C C 31 175.999 177.063 -1.064 1
1 299 . 15 1 1 A 32 32 GLN N N 32 115.694 117.181 -1.487 1
1 300 . 15 1 1 A 32 32 GLN H H 32 8.201 8.348 -0.147 1
1 301 . 15 1 1 A 32 32 GLN CA C 32 59.179 59.063 0.116 1
1 302 . 15 1 1 A 32 32 GLN HA H 32 3.596 3.834 -0.238 1
1 303 . 15 1 1 A 32 32 GLN CB C 32 28.048 28.358 -0.310 1
1 312 . 15 1 1 A 32 32 GLN C C 32 177.337 178.367 -1.030 1
1 313 . 15 1 1 A 33 33 ARG N N 33 117.574 120.434 -2.860 1
1 314 . 15 1 1 A 33 33 ARG H H 33 7.079 8.131 -1.052 1
1 315 . 15 1 1 A 33 33 ARG CA C 33 58.431 58.952 -0.521 1
1 316 . 15 1 1 A 33 33 ARG HA H 33 4.090 4.334 -0.244 1
1 317 . 15 1 1 A 33 33 ARG CB C 33 29.971 29.732 0.239 1
1 325 . 15 1 1 A 33 33 ARG C C 33 178.500 178.974 -0.474 1
1 326 . 15 1 1 A 34 34 VAL N N 34 116.091 116.334 -0.243 1
1 327 . 15 1 1 A 34 34 VAL H H 34 7.860 7.866 -0.006 1
1 328 . 15 1 1 A 34 34 VAL CA C 34 63.986 64.626 -0.640 1
1 329 . 15 1 1 A 34 34 VAL HA H 34 3.853 3.742 0.111 1
1 330 . 15 1 1 A 34 34 VAL CB C 34 31.100 31.021 0.079 1
1 340 . 15 1 1 A 34 34 VAL C C 34 177.255 176.508 0.747 1
1 341 . 15 1 1 A 35 35 HIS N N 35 117.210 119.890 -2.680 1
1 342 . 15 1 1 A 35 35 HIS H H 35 7.164 7.774 -0.610 1
1 343 . 15 1 1 A 35 35 HIS CA C 35 55.166 57.143 -1.977 1
1 344 . 15 1 1 A 35 35 HIS HA H 35 4.811 4.584 0.227 1
1 345 . 15 1 1 A 35 35 HIS CB C 35 28.575 31.247 -2.672 1
1 352 . 15 1 1 A 35 35 HIS C C 35 175.753 177.206 -1.453 1
1 353 . 15 1 1 A 36 36 THR N N 36 111.834 111.391 0.443 1
1 354 . 15 1 1 A 36 36 THR H H 36 7.736 8.380 -0.644 1
1 355 . 15 1 1 A 36 36 THR CA C 36 62.474 64.436 -1.962 1
1 356 . 15 1 1 A 36 36 THR HA H 36 4.296 4.085 0.211 1
1 357 . 15 1 1 A 36 36 THR CB C 36 69.785 69.084 0.701 1
1 363 . 15 1 1 A 36 36 THR C C 36 175.464 175.047 0.417 1
1 364 . 15 1 1 A 37 37 GLY N N 37 110.633 110.970 -0.337 1
1 365 . 15 1 1 A 37 37 GLY H H 37 8.203 7.384 0.819 1
1 366 . 15 1 1 A 37 37 GLY CA C 37 45.294 46.090 -0.796 1
1 367 . 15 1 1 A 37 37 GLY HA2 H 37 3.963 3.916 0.047 1
1 368 . 15 1 1 A 37 37 GLY HA3 H 37 3.898 3.927 -0.029 1
1 369 . 15 1 1 A 37 37 GLY C C 37 174.023 174.070 -0.047 1
1 370 . 15 1 1 A 38 38 GLU N N 38 120.541 123.786 -3.245 1
1 371 . 15 1 1 A 38 38 GLU H H 38 8.056 8.522 -0.466 1
1 372 . 15 1 1 A 38 38 GLU CA C 38 56.376 56.477 -0.101 1
1 373 . 15 1 1 A 38 38 GLU HA H 38 4.185 4.536 -0.351 1
1 374 . 15 1 1 A 38 38 GLU CB C 38 30.483 30.996 -0.513 1
1 380 . 15 1 1 A 38 38 GLU C C 38 176.222 176.036 0.186 1
1 381 . 15 1 1 A 39 39 LYS N N 39 123.877 122.862 1.015 1
1 382 . 15 1 1 A 39 39 LYS H H 39 8.382 8.885 -0.503 1
1 383 . 15 1 1 A 39 39 LYS CA C 39 54.071 53.614 0.457 1
1 384 . 15 1 1 A 39 39 LYS HA H 39 4.545 4.857 -0.312 1
1 385 . 15 1 1 A 39 39 LYS CB C 39 32.423 35.859 -3.436 1
1 396 . 15 1 1 A 39 39 LYS C C 39 174.477 175.907 -1.430 1
1 397 . 15 1 1 A 40 40 PRO CA C 40 63.142 63.614 -0.472 1
1 398 . 15 1 1 A 40 40 PRO HA H 40 4.399 4.529 -0.130 1
1 399 . 15 1 1 A 40 40 PRO CB C 40 32.100 31.926 0.174 1
1 408 . 15 1 1 A 40 40 PRO C C 40 176.965 176.204 0.761 1
1 409 . 15 1 1 A 41 41 SER N N 41 116.545 116.309 0.236 1
1 410 . 15 1 1 A 41 41 SER H H 41 8.456 7.736 0.720 1
1 411 . 15 1 1 A 41 41 SER CA C 41 58.303 59.538 -1.235 1
1 412 . 15 1 1 A 41 41 SER HA H 41 4.418 4.187 0.231 1
1 413 . 15 1 1 A 41 41 SER CB C 41 64.033 63.723 0.310 1
1 416 . 15 1 1 A 41 41 SER C C 41 174.604 175.697 -1.093 1
1 417 . 15 1 1 A 42 42 GLY CA C 42 44.595 46.715 -2.120 1
1 418 . 15 1 1 A 42 42 GLY HA2 H 42 4.043 3.992 0.051 1
1 419 . 15 1 1 A 42 42 GLY HA3 H 42 4.102 3.992 0.110 1
1 420 . 15 1 1 A 43 43 PRO CA C 43 63.183 64.408 -1.225 1
1 421 . 15 1 1 A 43 43 PRO HA H 43 4.409 4.587 -0.178 1
1 422 . 15 1 1 A 43 43 PRO CB C 43 32.160 32.052 0.108 1
1 431 . 15 1 1 A 45 45 SER CA C 45 58.358 59.261 -0.903 1
1 432 . 15 1 1 A 45 45 SER HA H 45 4.458 4.070 0.388 1
1 433 . 15 1 1 A 45 45 SER CB C 45 64.035 62.152 1.883 1
1 435 . 15 1 1 A 45 45 SER C C 45 173.906 173.599 0.307 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.360 46.158 -0.798 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 3.977 3.988 -0.011 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 3.977 3.989 -0.012 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.507 175.597 -1.090 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.829 117.250 -4.421 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.115 7.984 0.131 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.759 66.416 -4.657 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.312 3.939 0.373 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.817 69.058 0.759 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.249 175.278 -0.029 1
1 16 . 16 1 1 A 9 9 GLY N N 9 110.896 107.520 3.376 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.416 7.757 0.659 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.299 45.361 -0.062 1
1 19 . 16 1 1 A 9 9 GLY HA2 H 9 3.900 4.008 -0.108 1
1 20 . 16 1 1 A 9 9 GLY HA3 H 9 3.900 4.009 -0.109 1
1 21 . 16 1 1 A 9 9 GLY C C 9 174.082 172.837 1.245 1
1 22 . 16 1 1 A 10 10 GLU N N 10 120.023 118.097 1.926 1
1 23 . 16 1 1 A 10 10 GLU H H 10 8.184 8.396 -0.212 1
1 24 . 16 1 1 A 10 10 GLU CA C 10 56.936 55.168 1.768 1
1 25 . 16 1 1 A 10 10 GLU HA H 10 4.102 4.831 -0.729 1
1 26 . 16 1 1 A 10 10 GLU CB C 10 30.327 31.720 -1.393 1
1 32 . 16 1 1 A 10 10 GLU C C 10 176.503 174.912 1.591 1
1 33 . 16 1 1 A 11 11 LYS N N 11 121.280 120.119 1.161 1
1 34 . 16 1 1 A 11 11 LYS H H 11 8.281 8.667 -0.386 1
1 35 . 16 1 1 A 11 11 LYS CA C 11 53.669 54.289 -0.620 1
1 36 . 16 1 1 A 11 11 LYS HA H 11 4.388 4.480 -0.092 1
1 37 . 16 1 1 A 11 11 LYS CB C 11 33.080 31.785 1.295 1
1 49 . 16 1 1 A 11 11 LYS C C 11 173.641 176.477 -2.836 1
1 50 . 16 1 1 A 12 12 PRO CA C 12 63.359 63.834 -0.475 1
1 51 . 16 1 1 A 12 12 PRO HA H 12 4.181 4.340 -0.159 1
1 52 . 16 1 1 A 12 12 PRO CB C 12 32.233 31.083 1.150 1
1 61 . 16 1 1 A 12 12 PRO C C 12 176.415 175.507 0.908 1
1 62 . 16 1 1 A 13 13 TYR N N 13 118.435 119.326 -0.891 1
1 63 . 16 1 1 A 13 13 TYR H H 13 7.798 7.359 0.439 1
1 64 . 16 1 1 A 13 13 TYR CA C 13 57.003 56.910 0.093 1
1 65 . 16 1 1 A 13 13 TYR HA H 13 4.666 5.206 -0.540 1
1 66 . 16 1 1 A 13 13 TYR CB C 13 38.081 40.289 -2.208 1
1 77 . 16 1 1 A 13 13 TYR C C 13 174.560 174.510 0.050 1
1 78 . 16 1 1 A 14 14 GLU N N 14 124.052 124.647 -0.595 1
1 79 . 16 1 1 A 14 14 GLU H H 14 8.452 9.110 -0.658 1
1 80 . 16 1 1 A 14 14 GLU CA C 14 55.017 55.110 -0.093 1
1 81 . 16 1 1 A 14 14 GLU HA H 14 4.842 5.376 -0.534 1
1 82 . 16 1 1 A 14 14 GLU CB C 14 32.845 33.842 -0.997 1
1 88 . 16 1 1 A 14 14 GLU C C 14 175.274 174.617 0.657 1
1 89 . 16 1 1 A 15 15 CYS N N 15 126.436 124.580 1.856 1
1 90 . 16 1 1 A 15 15 CYS H H 15 9.246 8.927 0.319 1
1 91 . 16 1 1 A 15 15 CYS CA C 15 59.316 58.008 1.308 1
1 92 . 16 1 1 A 15 15 CYS HA H 15 4.516 4.647 -0.131 1
1 93 . 16 1 1 A 15 15 CYS CB C 15 29.534 27.317 2.217 1
1 96 . 16 1 1 A 15 15 CYS C C 15 177.358 175.101 2.257 1
1 97 . 16 1 1 A 16 16 LYS N N 16 117.311 127.774 -10.463 1
1 98 . 16 1 1 A 16 16 LYS H H 16 9.330 7.941 1.389 1
1 99 . 16 1 1 A 16 16 LYS CA C 16 58.072 58.889 -0.817 1
1 100 . 16 1 1 A 16 16 LYS HA H 16 4.136 3.897 0.239 1
1 101 . 16 1 1 A 16 16 LYS CB C 16 31.984 32.428 -0.444 1
1 113 . 16 1 1 A 16 16 LYS C C 16 177.050 178.051 -1.001 1
1 114 . 16 1 1 A 17 17 GLU N N 17 119.733 117.974 1.759 1
1 115 . 16 1 1 A 17 17 GLU H H 17 8.535 7.993 0.542 1
1 116 . 16 1 1 A 17 17 GLU CA C 17 58.258 58.963 -0.705 1
1 117 . 16 1 1 A 17 17 GLU HA H 17 4.129 3.974 0.155 1
1 118 . 16 1 1 A 17 17 GLU CB C 17 29.273 29.585 -0.312 1
1 124 . 16 1 1 A 17 17 GLU C C 17 177.315 177.989 -0.674 1
1 125 . 16 1 1 A 18 18 CYS N N 18 129.046 115.217 13.829 1
1 126 . 16 1 1 A 18 18 CYS H H 18 7.834 7.691 0.143 1
1 127 . 16 1 1 A 18 18 CYS CA C 18 58.321 59.711 -1.390 1
1 128 . 16 1 1 A 18 18 CYS HA H 18 5.122 4.692 0.430 1
1 129 . 16 1 1 A 18 18 CYS CB C 18 32.639 30.110 2.529 1
1 132 . 16 1 1 A 18 18 CYS C C 18 176.226 175.360 0.866 1
1 133 . 16 1 1 A 19 19 GLY N N 19 113.826 110.056 3.770 1
1 134 . 16 1 1 A 19 19 GLY H H 19 8.242 8.548 -0.306 1
1 135 . 16 1 1 A 19 19 GLY CA C 19 46.088 46.030 0.058 1
1 136 . 16 1 1 A 19 19 GLY HA2 H 19 4.179 4.049 0.130 1
1 137 . 16 1 1 A 19 19 GLY HA3 H 19 3.816 4.057 -0.241 1
1 138 . 16 1 1 A 19 19 GLY C C 19 173.827 173.971 -0.144 1
1 139 . 16 1 1 A 20 20 LYS N N 20 122.964 119.991 2.973 1
1 140 . 16 1 1 A 20 20 LYS H H 20 7.922 7.662 0.260 1
1 141 . 16 1 1 A 20 20 LYS CA C 20 58.100 54.956 3.144 1
1 142 . 16 1 1 A 20 20 LYS HA H 20 3.891 4.827 -0.936 1
1 143 . 16 1 1 A 20 20 LYS CB C 20 33.635 35.280 -1.645 1
1 155 . 16 1 1 A 20 20 LYS C C 20 173.610 174.455 -0.845 1
1 156 . 16 1 1 A 21 21 ALA N N 21 123.854 128.818 -4.964 1
1 157 . 16 1 1 A 21 21 ALA H H 21 7.723 8.771 -1.048 1
1 158 . 16 1 1 A 21 21 ALA CA C 21 50.412 50.521 -0.109 1
1 159 . 16 1 1 A 21 21 ALA HA H 21 5.067 5.646 -0.579 1
1 160 . 16 1 1 A 21 21 ALA CB C 21 22.154 21.081 1.073 1
1 164 . 16 1 1 A 21 21 ALA C C 21 176.234 176.482 -0.248 1
1 165 . 16 1 1 A 22 22 PHE N N 22 116.521 118.950 -2.429 1
1 166 . 16 1 1 A 22 22 PHE H H 22 8.639 8.830 -0.191 1
1 167 . 16 1 1 A 22 22 PHE CA C 22 57.304 56.706 0.598 1
1 168 . 16 1 1 A 22 22 PHE HA H 22 4.745 4.819 -0.074 1
1 169 . 16 1 1 A 22 22 PHE CB C 22 44.191 42.427 1.764 1
1 182 . 16 1 1 A 22 22 PHE C C 22 175.366 175.957 -0.591 1
1 183 . 16 1 1 A 23 23 SER N N 23 115.521 118.384 -2.863 1
1 184 . 16 1 1 A 23 23 SER H H 23 9.661 8.917 0.744 1
1 185 . 16 1 1 A 23 23 SER CA C 23 59.967 61.659 -1.692 1
1 186 . 16 1 1 A 23 23 SER HA H 23 4.679 4.325 0.354 1
1 187 . 16 1 1 A 23 23 SER CB C 23 64.445 63.121 1.324 1
1 190 . 16 1 1 A 23 23 SER C C 23 174.027 173.776 0.251 1
1 191 . 16 1 1 A 24 24 GLN N N 24 115.852 117.266 -1.414 1
1 192 . 16 1 1 A 24 24 GLN H H 24 7.218 8.175 -0.957 1
1 193 . 16 1 1 A 24 24 GLN CA C 24 53.982 54.183 -0.201 1
1 194 . 16 1 1 A 24 24 GLN HA H 24 4.834 4.708 0.126 1
1 195 . 16 1 1 A 24 24 GLN CB C 24 32.152 31.161 0.991 1
1 204 . 16 1 1 A 24 24 GLN C C 24 176.620 176.042 0.578 1
1 205 . 16 1 1 A 25 25 THR CA C 25 65.709 65.527 0.182 1
1 206 . 16 1 1 A 25 25 THR HA H 25 3.211 3.480 -0.269 1
1 207 . 16 1 1 A 25 25 THR CB C 25 67.811 68.309 -0.498 1
1 213 . 16 1 1 A 25 25 THR C C 25 176.919 175.767 1.152 1
1 214 . 16 1 1 A 26 26 THR N N 26 112.897 113.758 -0.861 1
1 215 . 16 1 1 A 26 26 THR H H 26 7.831 7.904 -0.073 1
1 216 . 16 1 1 A 26 26 THR CA C 26 65.080 65.719 -0.639 1
1 217 . 16 1 1 A 26 26 THR HA H 26 3.757 3.998 -0.241 1
1 218 . 16 1 1 A 26 26 THR CB C 26 68.011 68.255 -0.244 1
1 224 . 16 1 1 A 26 26 THR C C 26 176.443 176.820 -0.377 1
1 225 . 16 1 1 A 27 27 HIS N N 27 119.551 119.662 -0.111 1
1 226 . 16 1 1 A 27 27 HIS H H 27 6.604 7.855 -1.251 1
1 227 . 16 1 1 A 27 27 HIS CA C 27 56.982 59.796 -2.814 1
1 228 . 16 1 1 A 27 27 HIS HA H 27 4.367 4.217 0.150 1
1 229 . 16 1 1 A 27 27 HIS CB C 27 31.824 29.474 2.350 1
1 236 . 16 1 1 A 27 27 HIS C C 27 178.059 177.118 0.941 1
1 237 . 16 1 1 A 28 28 LEU N N 28 121.872 120.984 0.888 1
1 238 . 16 1 1 A 28 28 LEU H H 28 6.995 7.798 -0.803 1
1 239 . 16 1 1 A 28 28 LEU CA C 28 57.919 56.982 0.937 1
1 240 . 16 1 1 A 28 28 LEU HA H 28 3.210 3.239 -0.029 1
1 241 . 16 1 1 A 28 28 LEU CB C 28 40.630 42.455 -1.825 1
1 254 . 16 1 1 A 28 28 LEU C C 28 177.447 178.199 -0.752 1
1 255 . 16 1 1 A 29 29 ILE N N 29 119.734 119.923 -0.189 1
1 256 . 16 1 1 A 29 29 ILE H H 29 8.121 7.721 0.400 1
1 257 . 16 1 1 A 29 29 ILE CA C 29 64.592 64.764 -0.172 1
1 258 . 16 1 1 A 29 29 ILE HA H 29 3.681 3.718 -0.037 1
1 259 . 16 1 1 A 29 29 ILE CB C 29 37.668 37.418 0.250 1
1 272 . 16 1 1 A 29 29 ILE C C 29 179.288 177.753 1.535 1
1 273 . 16 1 1 A 30 30 GLN N N 30 117.944 119.768 -1.824 1
1 274 . 16 1 1 A 30 30 GLN H H 30 7.660 8.154 -0.494 1
1 275 . 16 1 1 A 30 30 GLN CA C 30 58.702 58.339 0.363 1
1 276 . 16 1 1 A 30 30 GLN HA H 30 3.893 3.994 -0.101 1
1 277 . 16 1 1 A 30 30 GLN CB C 30 28.308 28.164 0.144 1
1 286 . 16 1 1 A 30 30 GLN C C 30 178.753 178.018 0.735 1
1 287 . 16 1 1 A 31 31 HIS N N 31 118.960 119.978 -1.018 1
1 288 . 16 1 1 A 31 31 HIS H H 31 7.639 7.954 -0.315 1
1 289 . 16 1 1 A 31 31 HIS CA C 31 58.828 60.196 -1.368 1
1 290 . 16 1 1 A 31 31 HIS HA H 31 4.183 4.126 0.057 1
1 291 . 16 1 1 A 31 31 HIS CB C 31 28.483 29.372 -0.889 1
1 298 . 16 1 1 A 31 31 HIS C C 31 175.999 177.022 -1.023 1
1 299 . 16 1 1 A 32 32 GLN N N 32 115.694 117.968 -2.274 1
1 300 . 16 1 1 A 32 32 GLN H H 32 8.201 8.056 0.145 1
1 301 . 16 1 1 A 32 32 GLN CA C 32 59.179 59.005 0.174 1
1 302 . 16 1 1 A 32 32 GLN HA H 32 3.596 4.011 -0.415 1
1 303 . 16 1 1 A 32 32 GLN CB C 32 28.048 28.267 -0.219 1
1 312 . 16 1 1 A 32 32 GLN C C 32 177.337 178.748 -1.411 1
1 313 . 16 1 1 A 33 33 ARG N N 33 117.574 120.016 -2.442 1
1 314 . 16 1 1 A 33 33 ARG H H 33 7.079 7.851 -0.772 1
1 315 . 16 1 1 A 33 33 ARG CA C 33 58.431 59.116 -0.685 1
1 316 . 16 1 1 A 33 33 ARG HA H 33 4.090 4.105 -0.015 1
1 317 . 16 1 1 A 33 33 ARG CB C 33 29.971 29.972 -0.001 1
1 325 . 16 1 1 A 33 33 ARG C C 33 178.500 178.927 -0.427 1
1 326 . 16 1 1 A 34 34 VAL N N 34 116.091 116.567 -0.476 1
1 327 . 16 1 1 A 34 34 VAL H H 34 7.860 7.722 0.138 1
1 328 . 16 1 1 A 34 34 VAL CA C 34 63.986 64.618 -0.632 1
1 329 . 16 1 1 A 34 34 VAL HA H 34 3.853 3.817 0.036 1
1 330 . 16 1 1 A 34 34 VAL CB C 34 31.100 31.194 -0.094 1
1 340 . 16 1 1 A 34 34 VAL C C 34 177.255 176.399 0.856 1
1 341 . 16 1 1 A 35 35 HIS N N 35 117.210 119.342 -2.132 1
1 342 . 16 1 1 A 35 35 HIS H H 35 7.164 7.927 -0.763 1
1 343 . 16 1 1 A 35 35 HIS CA C 35 55.166 57.637 -2.471 1
1 344 . 16 1 1 A 35 35 HIS HA H 35 4.811 4.520 0.291 1
1 345 . 16 1 1 A 35 35 HIS CB C 35 28.575 31.573 -2.998 1
1 352 . 16 1 1 A 35 35 HIS C C 35 175.753 175.406 0.347 1
1 353 . 16 1 1 A 36 36 THR N N 36 111.834 113.016 -1.182 1
1 354 . 16 1 1 A 36 36 THR H H 36 7.736 7.531 0.205 1
1 355 . 16 1 1 A 36 36 THR CA C 36 62.474 60.476 1.998 1
1 356 . 16 1 1 A 36 36 THR HA H 36 4.296 4.615 -0.319 1
1 357 . 16 1 1 A 36 36 THR CB C 36 69.785 69.382 0.403 1
1 363 . 16 1 1 A 36 36 THR C C 36 175.464 173.662 1.802 1
1 364 . 16 1 1 A 37 37 GLY N N 37 110.633 114.377 -3.744 1
1 365 . 16 1 1 A 37 37 GLY H H 37 8.203 8.340 -0.137 1
1 366 . 16 1 1 A 37 37 GLY CA C 37 45.294 46.154 -0.860 1
1 367 . 16 1 1 A 37 37 GLY HA2 H 37 3.963 4.110 -0.147 1
1 368 . 16 1 1 A 37 37 GLY HA3 H 37 3.898 4.119 -0.221 1
1 369 . 16 1 1 A 37 37 GLY C C 37 174.023 172.198 1.825 1
1 370 . 16 1 1 A 38 38 GLU N N 38 120.541 123.081 -2.540 1
1 371 . 16 1 1 A 38 38 GLU H H 38 8.056 8.576 -0.520 1
1 372 . 16 1 1 A 38 38 GLU CA C 38 56.376 55.631 0.745 1
1 373 . 16 1 1 A 38 38 GLU HA H 38 4.185 4.426 -0.241 1
1 374 . 16 1 1 A 38 38 GLU CB C 38 30.483 29.123 1.360 1
1 380 . 16 1 1 A 38 38 GLU C C 38 176.222 174.828 1.394 1
1 381 . 16 1 1 A 39 39 LYS N N 39 123.877 123.995 -0.118 1
1 382 . 16 1 1 A 39 39 LYS H H 39 8.382 8.079 0.303 1
1 383 . 16 1 1 A 39 39 LYS CA C 39 54.071 53.132 0.939 1
1 384 . 16 1 1 A 39 39 LYS HA H 39 4.545 4.790 -0.245 1
1 385 . 16 1 1 A 39 39 LYS CB C 39 32.423 36.535 -4.112 1
1 396 . 16 1 1 A 39 39 LYS C C 39 174.477 173.991 0.486 1
1 397 . 16 1 1 A 40 40 PRO CA C 40 63.142 62.716 0.426 1
1 398 . 16 1 1 A 40 40 PRO HA H 40 4.399 4.611 -0.212 1
1 399 . 16 1 1 A 40 40 PRO CB C 40 32.100 30.879 1.221 1
1 408 . 16 1 1 A 40 40 PRO C C 40 176.965 175.651 1.314 1
1 409 . 16 1 1 A 41 41 SER N N 41 116.545 119.149 -2.604 1
1 410 . 16 1 1 A 41 41 SER H H 41 8.456 8.309 0.147 1
1 411 . 16 1 1 A 41 41 SER CA C 41 58.303 56.975 1.328 1
1 412 . 16 1 1 A 41 41 SER HA H 41 4.418 4.705 -0.287 1
1 413 . 16 1 1 A 41 41 SER CB C 41 64.033 63.970 0.063 1
1 416 . 16 1 1 A 41 41 SER C C 41 174.604 174.384 0.220 1
1 417 . 16 1 1 A 42 42 GLY CA C 42 44.595 44.767 -0.172 1
1 418 . 16 1 1 A 42 42 GLY HA2 H 42 4.043 4.175 -0.132 1
1 419 . 16 1 1 A 42 42 GLY HA3 H 42 4.102 4.175 -0.073 1
1 420 . 16 1 1 A 43 43 PRO CA C 43 63.183 62.692 0.491 1
1 421 . 16 1 1 A 43 43 PRO HA H 43 4.409 4.324 0.085 1
1 422 . 16 1 1 A 43 43 PRO CB C 43 32.160 32.496 -0.336 1
1 431 . 16 1 1 A 45 45 SER CA C 45 58.358 60.960 -2.602 1
1 432 . 16 1 1 A 45 45 SER HA H 45 4.458 4.205 0.253 1
1 433 . 16 1 1 A 45 45 SER CB C 45 64.035 63.351 0.684 1
1 435 . 16 1 1 A 45 45 SER C C 45 173.906 174.856 -0.950 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.360 44.039 1.321 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 3.977 4.116 -0.139 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 3.977 4.116 -0.139 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.507 173.924 0.583 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.829 115.630 -2.801 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.115 8.352 -0.237 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.759 62.614 -0.855 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.312 4.211 0.101 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.817 69.224 0.593 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.249 175.197 0.052 1
1 16 . 17 1 1 A 9 9 GLY N N 9 110.896 110.725 0.171 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.416 8.567 -0.151 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.299 44.306 0.993 1
1 19 . 17 1 1 A 9 9 GLY HA2 H 9 3.900 4.067 -0.167 1
1 20 . 17 1 1 A 9 9 GLY HA3 H 9 3.900 4.070 -0.170 1
1 21 . 17 1 1 A 9 9 GLY C C 9 174.082 172.510 1.572 1
1 22 . 17 1 1 A 10 10 GLU N N 10 120.023 121.009 -0.986 1
1 23 . 17 1 1 A 10 10 GLU H H 10 8.184 8.425 -0.241 1
1 24 . 17 1 1 A 10 10 GLU CA C 10 56.936 55.357 1.579 1
1 25 . 17 1 1 A 10 10 GLU HA H 10 4.102 4.813 -0.711 1
1 26 . 17 1 1 A 10 10 GLU CB C 10 30.327 32.913 -2.586 1
1 32 . 17 1 1 A 10 10 GLU C C 10 176.503 175.298 1.205 1
1 33 . 17 1 1 A 11 11 LYS N N 11 121.280 127.009 -5.729 1
1 34 . 17 1 1 A 11 11 LYS H H 11 8.281 8.465 -0.184 1
1 35 . 17 1 1 A 11 11 LYS CA C 11 53.669 55.334 -1.665 1
1 36 . 17 1 1 A 11 11 LYS HA H 11 4.388 4.209 0.179 1
1 37 . 17 1 1 A 11 11 LYS CB C 11 33.080 31.994 1.086 1
1 49 . 17 1 1 A 11 11 LYS C C 11 173.641 176.364 -2.723 1
1 50 . 17 1 1 A 12 12 PRO CA C 12 63.359 63.851 -0.492 1
1 51 . 17 1 1 A 12 12 PRO HA H 12 4.181 4.250 -0.069 1
1 52 . 17 1 1 A 12 12 PRO CB C 12 32.233 31.008 1.225 1
1 61 . 17 1 1 A 12 12 PRO C C 12 176.415 175.492 0.923 1
1 62 . 17 1 1 A 13 13 TYR N N 13 118.435 119.157 -0.722 1
1 63 . 17 1 1 A 13 13 TYR H H 13 7.798 7.363 0.435 1
1 64 . 17 1 1 A 13 13 TYR CA C 13 57.003 56.825 0.178 1
1 65 . 17 1 1 A 13 13 TYR HA H 13 4.666 5.392 -0.726 1
1 66 . 17 1 1 A 13 13 TYR CB C 13 38.081 42.095 -4.014 1
1 77 . 17 1 1 A 13 13 TYR C C 13 174.560 174.561 -0.001 1
1 78 . 17 1 1 A 14 14 GLU N N 14 124.052 124.025 0.027 1
1 79 . 17 1 1 A 14 14 GLU H H 14 8.452 8.884 -0.432 1
1 80 . 17 1 1 A 14 14 GLU CA C 14 55.017 55.733 -0.716 1
1 81 . 17 1 1 A 14 14 GLU HA H 14 4.842 5.098 -0.256 1
1 82 . 17 1 1 A 14 14 GLU CB C 14 32.845 34.081 -1.236 1
1 88 . 17 1 1 A 14 14 GLU C C 14 175.274 174.675 0.599 1
1 89 . 17 1 1 A 15 15 CYS N N 15 126.436 124.400 2.036 1
1 90 . 17 1 1 A 15 15 CYS H H 15 9.246 9.438 -0.192 1
1 91 . 17 1 1 A 15 15 CYS CA C 15 59.316 59.095 0.221 1
1 92 . 17 1 1 A 15 15 CYS HA H 15 4.516 4.729 -0.213 1
1 93 . 17 1 1 A 15 15 CYS CB C 15 29.534 28.126 1.408 1
1 96 . 17 1 1 A 15 15 CYS C C 15 177.358 176.018 1.340 1
1 97 . 17 1 1 A 16 16 LYS N N 16 117.311 127.959 -10.648 1
1 98 . 17 1 1 A 16 16 LYS H H 16 9.330 9.043 0.287 1
1 99 . 17 1 1 A 16 16 LYS CA C 16 58.072 55.641 2.431 1
1 100 . 17 1 1 A 16 16 LYS HA H 16 4.136 4.546 -0.410 1
1 101 . 17 1 1 A 16 16 LYS CB C 16 31.984 31.561 0.423 1
1 113 . 17 1 1 A 16 16 LYS C C 16 177.050 177.613 -0.563 1
1 114 . 17 1 1 A 17 17 GLU N N 17 119.733 120.768 -1.035 1
1 115 . 17 1 1 A 17 17 GLU H H 17 8.535 7.989 0.546 1
1 116 . 17 1 1 A 17 17 GLU CA C 17 58.258 56.914 1.344 1
1 117 . 17 1 1 A 17 17 GLU HA H 17 4.129 4.456 -0.327 1
1 118 . 17 1 1 A 17 17 GLU CB C 17 29.273 32.148 -2.875 1
1 124 . 17 1 1 A 17 17 GLU C C 17 177.315 177.889 -0.574 1
1 125 . 17 1 1 A 18 18 CYS N N 18 129.046 115.029 14.017 1
1 126 . 17 1 1 A 18 18 CYS H H 18 7.834 8.090 -0.256 1
1 127 . 17 1 1 A 18 18 CYS CA C 18 58.321 59.441 -1.120 1
1 128 . 17 1 1 A 18 18 CYS HA H 18 5.122 4.749 0.373 1
1 129 . 17 1 1 A 18 18 CYS CB C 18 32.639 30.485 2.154 1
1 132 . 17 1 1 A 18 18 CYS C C 18 176.226 175.609 0.617 1
1 133 . 17 1 1 A 19 19 GLY N N 19 113.826 110.037 3.789 1
1 134 . 17 1 1 A 19 19 GLY H H 19 8.242 8.520 -0.278 1
1 135 . 17 1 1 A 19 19 GLY CA C 19 46.088 46.249 -0.161 1
1 136 . 17 1 1 A 19 19 GLY HA2 H 19 4.179 4.002 0.177 1
1 137 . 17 1 1 A 19 19 GLY HA3 H 19 3.816 4.016 -0.200 1
1 138 . 17 1 1 A 19 19 GLY C C 19 173.827 173.855 -0.028 1
1 139 . 17 1 1 A 20 20 LYS N N 20 122.964 120.488 2.476 1
1 140 . 17 1 1 A 20 20 LYS H H 20 7.922 7.783 0.139 1
1 141 . 17 1 1 A 20 20 LYS CA C 20 58.100 55.064 3.036 1
1 142 . 17 1 1 A 20 20 LYS HA H 20 3.891 4.866 -0.975 1
1 143 . 17 1 1 A 20 20 LYS CB C 20 33.635 35.735 -2.100 1
1 155 . 17 1 1 A 20 20 LYS C C 20 173.610 174.194 -0.584 1
1 156 . 17 1 1 A 21 21 ALA N N 21 123.854 128.547 -4.693 1
1 157 . 17 1 1 A 21 21 ALA H H 21 7.723 8.698 -0.975 1
1 158 . 17 1 1 A 21 21 ALA CA C 21 50.412 50.453 -0.041 1
1 159 . 17 1 1 A 21 21 ALA HA H 21 5.067 5.560 -0.493 1
1 160 . 17 1 1 A 21 21 ALA CB C 21 22.154 21.592 0.562 1
1 164 . 17 1 1 A 21 21 ALA C C 21 176.234 176.240 -0.006 1
1 165 . 17 1 1 A 22 22 PHE N N 22 116.521 118.542 -2.021 1
1 166 . 17 1 1 A 22 22 PHE H H 22 8.639 8.492 0.147 1
1 167 . 17 1 1 A 22 22 PHE CA C 22 57.304 56.681 0.623 1
1 168 . 17 1 1 A 22 22 PHE HA H 22 4.745 5.012 -0.267 1
1 169 . 17 1 1 A 22 22 PHE CB C 22 44.191 41.779 2.412 1
1 182 . 17 1 1 A 22 22 PHE C C 22 175.366 175.917 -0.551 1
1 183 . 17 1 1 A 23 23 SER N N 23 115.521 119.535 -4.014 1
1 184 . 17 1 1 A 23 23 SER H H 23 9.661 8.885 0.776 1
1 185 . 17 1 1 A 23 23 SER CA C 23 59.967 61.511 -1.544 1
1 186 . 17 1 1 A 23 23 SER HA H 23 4.679 4.396 0.283 1
1 187 . 17 1 1 A 23 23 SER CB C 23 64.445 62.947 1.498 1
1 190 . 17 1 1 A 23 23 SER C C 23 174.027 173.833 0.194 1
1 191 . 17 1 1 A 24 24 GLN N N 24 115.852 117.478 -1.626 1
1 192 . 17 1 1 A 24 24 GLN H H 24 7.218 7.975 -0.757 1
1 193 . 17 1 1 A 24 24 GLN CA C 24 53.982 54.414 -0.432 1
1 194 . 17 1 1 A 24 24 GLN HA H 24 4.834 4.612 0.222 1
1 195 . 17 1 1 A 24 24 GLN CB C 24 32.152 31.535 0.617 1
1 204 . 17 1 1 A 24 24 GLN C C 24 176.620 176.202 0.418 1
1 205 . 17 1 1 A 25 25 THR CA C 25 65.709 66.273 -0.564 1
1 206 . 17 1 1 A 25 25 THR HA H 25 3.211 3.536 -0.325 1
1 207 . 17 1 1 A 25 25 THR CB C 25 67.811 68.581 -0.770 1
1 213 . 17 1 1 A 25 25 THR C C 25 176.919 175.969 0.950 1
1 214 . 17 1 1 A 26 26 THR N N 26 112.897 114.098 -1.201 1
1 215 . 17 1 1 A 26 26 THR H H 26 7.831 8.257 -0.426 1
1 216 . 17 1 1 A 26 26 THR CA C 26 65.080 65.920 -0.840 1
1 217 . 17 1 1 A 26 26 THR HA H 26 3.757 3.912 -0.155 1
1 218 . 17 1 1 A 26 26 THR CB C 26 68.011 68.667 -0.656 1
1 224 . 17 1 1 A 26 26 THR C C 26 176.443 176.627 -0.184 1
1 225 . 17 1 1 A 27 27 HIS N N 27 119.551 119.017 0.534 1
1 226 . 17 1 1 A 27 27 HIS H H 27 6.604 8.327 -1.723 1
1 227 . 17 1 1 A 27 27 HIS CA C 27 56.982 59.209 -2.227 1
1 228 . 17 1 1 A 27 27 HIS HA H 27 4.367 4.351 0.016 1
1 229 . 17 1 1 A 27 27 HIS CB C 27 31.824 29.581 2.243 1
1 236 . 17 1 1 A 27 27 HIS C C 27 178.059 177.614 0.445 1
1 237 . 17 1 1 A 28 28 LEU N N 28 121.872 120.191 1.681 1
1 238 . 17 1 1 A 28 28 LEU H H 28 6.995 7.917 -0.922 1
1 239 . 17 1 1 A 28 28 LEU CA C 28 57.919 56.802 1.117 1
1 240 . 17 1 1 A 28 28 LEU HA H 28 3.210 2.434 0.776 1
1 241 . 17 1 1 A 28 28 LEU CB C 28 40.630 42.041 -1.411 1
1 254 . 17 1 1 A 28 28 LEU C C 28 177.447 178.496 -1.049 1
1 255 . 17 1 1 A 29 29 ILE N N 29 119.734 119.271 0.463 1
1 256 . 17 1 1 A 29 29 ILE H H 29 8.121 7.605 0.516 1
1 257 . 17 1 1 A 29 29 ILE CA C 29 64.592 64.523 0.069 1
1 258 . 17 1 1 A 29 29 ILE HA H 29 3.681 3.432 0.249 1
1 259 . 17 1 1 A 29 29 ILE CB C 29 37.668 36.967 0.701 1
1 272 . 17 1 1 A 29 29 ILE C C 29 179.288 177.799 1.489 1
1 273 . 17 1 1 A 30 30 GLN N N 30 117.944 119.604 -1.660 1
1 274 . 17 1 1 A 30 30 GLN H H 30 7.660 8.342 -0.682 1
1 275 . 17 1 1 A 30 30 GLN CA C 30 58.702 58.135 0.567 1
1 276 . 17 1 1 A 30 30 GLN HA H 30 3.893 4.000 -0.107 1
1 277 . 17 1 1 A 30 30 GLN CB C 30 28.308 28.516 -0.208 1
1 286 . 17 1 1 A 30 30 GLN C C 30 178.753 177.932 0.821 1
1 287 . 17 1 1 A 31 31 HIS N N 31 118.960 119.678 -0.718 1
1 288 . 17 1 1 A 31 31 HIS H H 31 7.639 7.534 0.105 1
1 289 . 17 1 1 A 31 31 HIS CA C 31 58.828 60.203 -1.375 1
1 290 . 17 1 1 A 31 31 HIS HA H 31 4.183 4.137 0.046 1
1 291 . 17 1 1 A 31 31 HIS CB C 31 28.483 29.508 -1.025 1
1 298 . 17 1 1 A 31 31 HIS C C 31 175.999 177.130 -1.131 1
1 299 . 17 1 1 A 32 32 GLN N N 32 115.694 118.020 -2.326 1
1 300 . 17 1 1 A 32 32 GLN H H 32 8.201 7.721 0.480 1
1 301 . 17 1 1 A 32 32 GLN CA C 32 59.179 58.963 0.216 1
1 302 . 17 1 1 A 32 32 GLN HA H 32 3.596 3.712 -0.116 1
1 303 . 17 1 1 A 32 32 GLN CB C 32 28.048 28.266 -0.218 1
1 312 . 17 1 1 A 32 32 GLN C C 32 177.337 178.554 -1.217 1
1 313 . 17 1 1 A 33 33 ARG N N 33 117.574 120.134 -2.560 1
1 314 . 17 1 1 A 33 33 ARG H H 33 7.079 7.897 -0.818 1
1 315 . 17 1 1 A 33 33 ARG CA C 33 58.431 58.736 -0.305 1
1 316 . 17 1 1 A 33 33 ARG HA H 33 4.090 4.020 0.070 1
1 317 . 17 1 1 A 33 33 ARG CB C 33 29.971 29.829 0.142 1
1 325 . 17 1 1 A 33 33 ARG C C 33 178.500 178.600 -0.100 1
1 326 . 17 1 1 A 34 34 VAL N N 34 116.091 116.644 -0.553 1
1 327 . 17 1 1 A 34 34 VAL H H 34 7.860 7.718 0.142 1
1 328 . 17 1 1 A 34 34 VAL CA C 34 63.986 64.237 -0.251 1
1 329 . 17 1 1 A 34 34 VAL HA H 34 3.853 3.951 -0.098 1
1 330 . 17 1 1 A 34 34 VAL CB C 34 31.100 31.163 -0.063 1
1 340 . 17 1 1 A 34 34 VAL C C 34 177.255 176.286 0.969 1
1 341 . 17 1 1 A 35 35 HIS N N 35 117.210 119.533 -2.323 1
1 342 . 17 1 1 A 35 35 HIS H H 35 7.164 8.030 -0.866 1
1 343 . 17 1 1 A 35 35 HIS CA C 35 55.166 56.855 -1.689 1
1 344 . 17 1 1 A 35 35 HIS HA H 35 4.811 4.602 0.209 1
1 345 . 17 1 1 A 35 35 HIS CB C 35 28.575 31.392 -2.817 1
1 352 . 17 1 1 A 35 35 HIS C C 35 175.753 176.909 -1.156 1
1 353 . 17 1 1 A 36 36 THR N N 36 111.834 111.119 0.715 1
1 354 . 17 1 1 A 36 36 THR H H 36 7.736 7.469 0.267 1
1 355 . 17 1 1 A 36 36 THR CA C 36 62.474 63.212 -0.738 1
1 356 . 17 1 1 A 36 36 THR HA H 36 4.296 4.127 0.169 1
1 357 . 17 1 1 A 36 36 THR CB C 36 69.785 69.861 -0.076 1
1 363 . 17 1 1 A 36 36 THR C C 36 175.464 175.215 0.249 1
1 364 . 17 1 1 A 37 37 GLY N N 37 110.633 109.959 0.674 1
1 365 . 17 1 1 A 37 37 GLY H H 37 8.203 7.207 0.996 1
1 366 . 17 1 1 A 37 37 GLY CA C 37 45.294 45.508 -0.214 1
1 367 . 17 1 1 A 37 37 GLY HA2 H 37 3.963 4.095 -0.132 1
1 368 . 17 1 1 A 37 37 GLY HA3 H 37 3.898 4.096 -0.198 1
1 369 . 17 1 1 A 37 37 GLY C C 37 174.023 174.094 -0.071 1
1 370 . 17 1 1 A 38 38 GLU N N 38 120.541 122.133 -1.592 1
1 371 . 17 1 1 A 38 38 GLU H H 38 8.056 8.217 -0.161 1
1 372 . 17 1 1 A 38 38 GLU CA C 38 56.376 55.470 0.906 1
1 373 . 17 1 1 A 38 38 GLU HA H 38 4.185 4.360 -0.175 1
1 374 . 17 1 1 A 38 38 GLU CB C 38 30.483 28.231 2.252 1
1 380 . 17 1 1 A 38 38 GLU C C 38 176.222 174.637 1.585 1
1 381 . 17 1 1 A 39 39 LYS N N 39 123.877 123.528 0.349 1
1 382 . 17 1 1 A 39 39 LYS H H 39 8.382 7.316 1.066 1
1 383 . 17 1 1 A 39 39 LYS CA C 39 54.071 52.971 1.100 1
1 384 . 17 1 1 A 39 39 LYS HA H 39 4.545 4.774 -0.229 1
1 385 . 17 1 1 A 39 39 LYS CB C 39 32.423 33.847 -1.424 1
1 396 . 17 1 1 A 39 39 LYS C C 39 174.477 176.232 -1.755 1
1 397 . 17 1 1 A 40 40 PRO CA C 40 63.142 63.878 -0.736 1
1 398 . 17 1 1 A 40 40 PRO HA H 40 4.399 4.437 -0.038 1
1 399 . 17 1 1 A 40 40 PRO CB C 40 32.100 31.782 0.318 1
1 408 . 17 1 1 A 40 40 PRO C C 40 176.965 176.217 0.748 1
1 409 . 17 1 1 A 41 41 SER N N 41 116.545 114.241 2.304 1
1 410 . 17 1 1 A 41 41 SER H H 41 8.456 7.745 0.711 1
1 411 . 17 1 1 A 41 41 SER CA C 41 58.303 57.614 0.689 1
1 412 . 17 1 1 A 41 41 SER HA H 41 4.418 4.986 -0.568 1
1 413 . 17 1 1 A 41 41 SER CB C 41 64.033 66.925 -2.892 1
1 416 . 17 1 1 A 41 41 SER C C 41 174.604 173.103 1.501 1
1 417 . 17 1 1 A 42 42 GLY CA C 42 44.595 44.717 -0.122 1
1 418 . 17 1 1 A 42 42 GLY HA2 H 42 4.043 4.179 -0.136 1
1 419 . 17 1 1 A 42 42 GLY HA3 H 42 4.102 4.179 -0.077 1
1 420 . 17 1 1 A 43 43 PRO CA C 43 63.183 62.776 0.407 1
1 421 . 17 1 1 A 43 43 PRO HA H 43 4.409 4.750 -0.341 1
1 422 . 17 1 1 A 43 43 PRO CB C 43 32.160 31.765 0.395 1
1 431 . 17 1 1 A 45 45 SER CA C 45 58.358 62.342 -3.984 1
1 432 . 17 1 1 A 45 45 SER HA H 45 4.458 4.183 0.275 1
1 433 . 17 1 1 A 45 45 SER CB C 45 64.035 62.771 1.264 1
1 435 . 17 1 1 A 45 45 SER C C 45 173.906 174.673 -0.767 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.360 45.460 -0.100 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 3.977 4.164 -0.187 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 3.977 4.166 -0.189 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.507 173.670 0.837 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.829 118.806 -5.977 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.115 8.810 -0.695 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.759 63.538 -1.779 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.312 4.270 0.042 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.817 70.255 -0.438 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.249 174.776 0.473 1
1 16 . 18 1 1 A 9 9 GLY N N 9 110.896 108.385 2.511 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.416 7.963 0.453 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.299 44.850 0.449 1
1 19 . 18 1 1 A 9 9 GLY HA2 H 9 3.900 3.983 -0.083 1
1 20 . 18 1 1 A 9 9 GLY HA3 H 9 3.900 3.984 -0.084 1
1 21 . 18 1 1 A 9 9 GLY C C 9 174.082 173.515 0.567 1
1 22 . 18 1 1 A 10 10 GLU N N 10 120.023 123.221 -3.198 1
1 23 . 18 1 1 A 10 10 GLU H H 10 8.184 8.250 -0.066 1
1 24 . 18 1 1 A 10 10 GLU CA C 10 56.936 55.901 1.035 1
1 25 . 18 1 1 A 10 10 GLU HA H 10 4.102 4.374 -0.272 1
1 26 . 18 1 1 A 10 10 GLU CB C 10 30.327 30.214 0.113 1
1 32 . 18 1 1 A 10 10 GLU C C 10 176.503 175.809 0.694 1
1 33 . 18 1 1 A 11 11 LYS N N 11 121.280 119.692 1.588 1
1 34 . 18 1 1 A 11 11 LYS H H 11 8.281 8.350 -0.069 1
1 35 . 18 1 1 A 11 11 LYS CA C 11 53.669 53.147 0.522 1
1 36 . 18 1 1 A 11 11 LYS HA H 11 4.388 4.695 -0.307 1
1 37 . 18 1 1 A 11 11 LYS CB C 11 33.080 33.676 -0.596 1
1 49 . 18 1 1 A 11 11 LYS C C 11 173.641 176.152 -2.511 1
1 50 . 18 1 1 A 12 12 PRO CA C 12 63.359 63.741 -0.382 1
1 51 . 18 1 1 A 12 12 PRO HA H 12 4.181 4.255 -0.074 1
1 52 . 18 1 1 A 12 12 PRO CB C 12 32.233 31.084 1.149 1
1 61 . 18 1 1 A 12 12 PRO C C 12 176.415 175.574 0.841 1
1 62 . 18 1 1 A 13 13 TYR N N 13 118.435 118.378 0.057 1
1 63 . 18 1 1 A 13 13 TYR H H 13 7.798 7.414 0.384 1
1 64 . 18 1 1 A 13 13 TYR CA C 13 57.003 56.577 0.426 1
1 65 . 18 1 1 A 13 13 TYR HA H 13 4.666 5.312 -0.646 1
1 66 . 18 1 1 A 13 13 TYR CB C 13 38.081 41.293 -3.212 1
1 77 . 18 1 1 A 13 13 TYR C C 13 174.560 174.182 0.378 1
1 78 . 18 1 1 A 14 14 GLU N N 14 124.052 124.827 -0.775 1
1 79 . 18 1 1 A 14 14 GLU H H 14 8.452 8.968 -0.516 1
1 80 . 18 1 1 A 14 14 GLU CA C 14 55.017 55.045 -0.028 1
1 81 . 18 1 1 A 14 14 GLU HA H 14 4.842 5.399 -0.557 1
1 82 . 18 1 1 A 14 14 GLU CB C 14 32.845 33.571 -0.726 1
1 88 . 18 1 1 A 14 14 GLU C C 14 175.274 175.382 -0.108 1
1 89 . 18 1 1 A 15 15 CYS N N 15 126.436 125.167 1.269 1
1 90 . 18 1 1 A 15 15 CYS H H 15 9.246 9.474 -0.228 1
1 91 . 18 1 1 A 15 15 CYS CA C 15 59.316 59.960 -0.644 1
1 92 . 18 1 1 A 15 15 CYS HA H 15 4.516 4.586 -0.070 1
1 93 . 18 1 1 A 15 15 CYS CB C 15 29.534 28.695 0.839 1
1 96 . 18 1 1 A 15 15 CYS C C 15 177.358 175.782 1.576 1
1 97 . 18 1 1 A 16 16 LYS N N 16 117.311 128.068 -10.757 1
1 98 . 18 1 1 A 16 16 LYS H H 16 9.330 8.993 0.337 1
1 99 . 18 1 1 A 16 16 LYS CA C 16 58.072 56.787 1.285 1
1 100 . 18 1 1 A 16 16 LYS HA H 16 4.136 4.427 -0.291 1
1 101 . 18 1 1 A 16 16 LYS CB C 16 31.984 32.128 -0.144 1
1 113 . 18 1 1 A 16 16 LYS C C 16 177.050 176.962 0.088 1
1 114 . 18 1 1 A 17 17 GLU N N 17 119.733 117.536 2.197 1
1 115 . 18 1 1 A 17 17 GLU H H 17 8.535 7.442 1.093 1
1 116 . 18 1 1 A 17 17 GLU CA C 17 58.258 56.769 1.489 1
1 117 . 18 1 1 A 17 17 GLU HA H 17 4.129 4.416 -0.287 1
1 118 . 18 1 1 A 17 17 GLU CB C 17 29.273 31.293 -2.020 1
1 124 . 18 1 1 A 17 17 GLU C C 17 177.315 177.543 -0.228 1
1 125 . 18 1 1 A 18 18 CYS N N 18 129.046 114.835 14.211 1
1 126 . 18 1 1 A 18 18 CYS H H 18 7.834 7.896 -0.062 1
1 127 . 18 1 1 A 18 18 CYS CA C 18 58.321 59.353 -1.032 1
1 128 . 18 1 1 A 18 18 CYS HA H 18 5.122 4.681 0.441 1
1 129 . 18 1 1 A 18 18 CYS CB C 18 32.639 30.142 2.497 1
1 132 . 18 1 1 A 18 18 CYS C C 18 176.226 175.652 0.574 1
1 133 . 18 1 1 A 19 19 GLY N N 19 113.826 109.678 4.148 1
1 134 . 18 1 1 A 19 19 GLY H H 19 8.242 7.929 0.313 1
1 135 . 18 1 1 A 19 19 GLY CA C 19 46.088 44.993 1.095 1
1 136 . 18 1 1 A 19 19 GLY HA2 H 19 4.179 4.062 0.117 1
1 137 . 18 1 1 A 19 19 GLY HA3 H 19 3.816 4.064 -0.248 1
1 138 . 18 1 1 A 19 19 GLY C C 19 173.827 174.428 -0.601 1
1 139 . 18 1 1 A 20 20 LYS N N 20 122.964 121.559 1.405 1
1 140 . 18 1 1 A 20 20 LYS H H 20 7.922 7.889 0.033 1
1 141 . 18 1 1 A 20 20 LYS CA C 20 58.100 55.543 2.557 1
1 142 . 18 1 1 A 20 20 LYS HA H 20 3.891 4.386 -0.495 1
1 143 . 18 1 1 A 20 20 LYS CB C 20 33.635 33.592 0.043 1
1 155 . 18 1 1 A 20 20 LYS C C 20 173.610 175.242 -1.632 1
1 156 . 18 1 1 A 21 21 ALA N N 21 123.854 125.331 -1.477 1
1 157 . 18 1 1 A 21 21 ALA H H 21 7.723 7.990 -0.267 1
1 158 . 18 1 1 A 21 21 ALA CA C 21 50.412 50.221 0.191 1
1 159 . 18 1 1 A 21 21 ALA HA H 21 5.067 5.158 -0.091 1
1 160 . 18 1 1 A 21 21 ALA CB C 21 22.154 22.451 -0.297 1
1 164 . 18 1 1 A 21 21 ALA C C 21 176.234 174.933 1.301 1
1 165 . 18 1 1 A 22 22 PHE N N 22 116.521 117.692 -1.171 1
1 166 . 18 1 1 A 22 22 PHE H H 22 8.639 8.620 0.019 1
1 167 . 18 1 1 A 22 22 PHE CA C 22 57.304 56.604 0.700 1
1 168 . 18 1 1 A 22 22 PHE HA H 22 4.745 5.046 -0.301 1
1 169 . 18 1 1 A 22 22 PHE CB C 22 44.191 42.008 2.183 1
1 182 . 18 1 1 A 22 22 PHE C C 22 175.366 176.033 -0.667 1
1 183 . 18 1 1 A 23 23 SER N N 23 115.521 119.052 -3.531 1
1 184 . 18 1 1 A 23 23 SER H H 23 9.661 8.974 0.687 1
1 185 . 18 1 1 A 23 23 SER CA C 23 59.967 61.174 -1.207 1
1 186 . 18 1 1 A 23 23 SER HA H 23 4.679 4.437 0.242 1
1 187 . 18 1 1 A 23 23 SER CB C 23 64.445 62.950 1.495 1
1 190 . 18 1 1 A 23 23 SER C C 23 174.027 174.971 -0.944 1
1 191 . 18 1 1 A 24 24 GLN N N 24 115.852 120.679 -4.827 1
1 192 . 18 1 1 A 24 24 GLN H H 24 7.218 8.090 -0.872 1
1 193 . 18 1 1 A 24 24 GLN CA C 24 53.982 54.215 -0.233 1
1 194 . 18 1 1 A 24 24 GLN HA H 24 4.834 4.636 0.198 1
1 195 . 18 1 1 A 24 24 GLN CB C 24 32.152 30.965 1.187 1
1 204 . 18 1 1 A 24 24 GLN C C 24 176.620 176.211 0.409 1
1 205 . 18 1 1 A 25 25 THR CA C 25 65.709 65.700 0.009 1
1 206 . 18 1 1 A 25 25 THR HA H 25 3.211 3.640 -0.429 1
1 207 . 18 1 1 A 25 25 THR CB C 25 67.811 68.236 -0.425 1
1 213 . 18 1 1 A 25 25 THR C C 25 176.919 176.304 0.615 1
1 214 . 18 1 1 A 26 26 THR N N 26 112.897 117.952 -5.055 1
1 215 . 18 1 1 A 26 26 THR H H 26 7.831 8.141 -0.310 1
1 216 . 18 1 1 A 26 26 THR CA C 26 65.080 64.966 0.114 1
1 217 . 18 1 1 A 26 26 THR HA H 26 3.757 3.927 -0.170 1
1 218 . 18 1 1 A 26 26 THR CB C 26 68.011 68.951 -0.940 1
1 224 . 18 1 1 A 26 26 THR C C 26 176.443 176.538 -0.095 1
1 225 . 18 1 1 A 27 27 HIS N N 27 119.551 118.837 0.714 1
1 226 . 18 1 1 A 27 27 HIS H H 27 6.604 7.687 -1.083 1
1 227 . 18 1 1 A 27 27 HIS CA C 27 56.982 59.845 -2.863 1
1 228 . 18 1 1 A 27 27 HIS HA H 27 4.367 4.173 0.194 1
1 229 . 18 1 1 A 27 27 HIS CB C 27 31.824 30.254 1.570 1
1 236 . 18 1 1 A 27 27 HIS C C 27 178.059 177.391 0.668 1
1 237 . 18 1 1 A 28 28 LEU N N 28 121.872 120.390 1.482 1
1 238 . 18 1 1 A 28 28 LEU H H 28 6.995 8.254 -1.259 1
1 239 . 18 1 1 A 28 28 LEU CA C 28 57.919 56.885 1.034 1
1 240 . 18 1 1 A 28 28 LEU HA H 28 3.210 2.985 0.225 1
1 241 . 18 1 1 A 28 28 LEU CB C 28 40.630 41.949 -1.319 1
1 254 . 18 1 1 A 28 28 LEU C C 28 177.447 178.487 -1.040 1
1 255 . 18 1 1 A 29 29 ILE N N 29 119.734 119.007 0.727 1
1 256 . 18 1 1 A 29 29 ILE H H 29 8.121 7.584 0.537 1
1 257 . 18 1 1 A 29 29 ILE CA C 29 64.592 64.187 0.405 1
1 258 . 18 1 1 A 29 29 ILE HA H 29 3.681 4.075 -0.394 1
1 259 . 18 1 1 A 29 29 ILE CB C 29 37.668 37.050 0.618 1
1 272 . 18 1 1 A 29 29 ILE C C 29 179.288 177.771 1.517 1
1 273 . 18 1 1 A 30 30 GLN N N 30 117.944 119.744 -1.800 1
1 274 . 18 1 1 A 30 30 GLN H H 30 7.660 8.217 -0.557 1
1 275 . 18 1 1 A 30 30 GLN CA C 30 58.702 58.250 0.452 1
1 276 . 18 1 1 A 30 30 GLN HA H 30 3.893 4.037 -0.144 1
1 277 . 18 1 1 A 30 30 GLN CB C 30 28.308 28.476 -0.168 1
1 286 . 18 1 1 A 30 30 GLN C C 30 178.753 178.046 0.707 1
1 287 . 18 1 1 A 31 31 HIS N N 31 118.960 119.721 -0.761 1
1 288 . 18 1 1 A 31 31 HIS H H 31 7.639 7.515 0.124 1
1 289 . 18 1 1 A 31 31 HIS CA C 31 58.828 60.070 -1.242 1
1 290 . 18 1 1 A 31 31 HIS HA H 31 4.183 4.169 0.014 1
1 291 . 18 1 1 A 31 31 HIS CB C 31 28.483 29.514 -1.031 1
1 298 . 18 1 1 A 31 31 HIS C C 31 175.999 177.456 -1.457 1
1 299 . 18 1 1 A 32 32 GLN N N 32 115.694 118.315 -2.621 1
1 300 . 18 1 1 A 32 32 GLN H H 32 8.201 7.886 0.315 1
1 301 . 18 1 1 A 32 32 GLN CA C 32 59.179 59.025 0.154 1
1 302 . 18 1 1 A 32 32 GLN HA H 32 3.596 4.013 -0.417 1
1 303 . 18 1 1 A 32 32 GLN CB C 32 28.048 28.438 -0.390 1
1 312 . 18 1 1 A 32 32 GLN C C 32 177.337 178.661 -1.324 1
1 313 . 18 1 1 A 33 33 ARG N N 33 117.574 120.384 -2.810 1
1 314 . 18 1 1 A 33 33 ARG H H 33 7.079 7.680 -0.601 1
1 315 . 18 1 1 A 33 33 ARG CA C 33 58.431 58.643 -0.212 1
1 316 . 18 1 1 A 33 33 ARG HA H 33 4.090 4.370 -0.280 1
1 317 . 18 1 1 A 33 33 ARG CB C 33 29.971 29.783 0.188 1
1 325 . 18 1 1 A 33 33 ARG C C 33 178.500 178.606 -0.106 1
1 326 . 18 1 1 A 34 34 VAL N N 34 116.091 116.748 -0.657 1
1 327 . 18 1 1 A 34 34 VAL H H 34 7.860 7.696 0.164 1
1 328 . 18 1 1 A 34 34 VAL CA C 34 63.986 64.616 -0.630 1
1 329 . 18 1 1 A 34 34 VAL HA H 34 3.853 3.804 0.049 1
1 330 . 18 1 1 A 34 34 VAL CB C 34 31.100 31.041 0.059 1
1 340 . 18 1 1 A 34 34 VAL C C 34 177.255 176.277 0.978 1
1 341 . 18 1 1 A 35 35 HIS N N 35 117.210 119.156 -1.946 1
1 342 . 18 1 1 A 35 35 HIS H H 35 7.164 8.173 -1.009 1
1 343 . 18 1 1 A 35 35 HIS CA C 35 55.166 56.612 -1.446 1
1 344 . 18 1 1 A 35 35 HIS HA H 35 4.811 4.746 0.065 1
1 345 . 18 1 1 A 35 35 HIS CB C 35 28.575 31.883 -3.308 1
1 352 . 18 1 1 A 35 35 HIS C C 35 175.753 175.757 -0.004 1
1 353 . 18 1 1 A 36 36 THR N N 36 111.834 106.641 5.193 1
1 354 . 18 1 1 A 36 36 THR H H 36 7.736 7.790 -0.054 1
1 355 . 18 1 1 A 36 36 THR CA C 36 62.474 60.693 1.781 1
1 356 . 18 1 1 A 36 36 THR HA H 36 4.296 4.472 -0.176 1
1 357 . 18 1 1 A 36 36 THR CB C 36 69.785 68.616 1.169 1
1 363 . 18 1 1 A 36 36 THR C C 36 175.464 174.298 1.166 1
1 364 . 18 1 1 A 37 37 GLY N N 37 110.633 111.372 -0.739 1
1 365 . 18 1 1 A 37 37 GLY H H 37 8.203 8.368 -0.165 1
1 366 . 18 1 1 A 37 37 GLY CA C 37 45.294 44.895 0.399 1
1 367 . 18 1 1 A 37 37 GLY HA2 H 37 3.963 3.987 -0.024 1
1 368 . 18 1 1 A 37 37 GLY HA3 H 37 3.898 3.988 -0.090 1
1 369 . 18 1 1 A 37 37 GLY C C 37 174.023 171.957 2.066 1
1 370 . 18 1 1 A 38 38 GLU N N 38 120.541 122.610 -2.069 1
1 371 . 18 1 1 A 38 38 GLU H H 38 8.056 8.667 -0.611 1
1 372 . 18 1 1 A 38 38 GLU CA C 38 56.376 54.926 1.450 1
1 373 . 18 1 1 A 38 38 GLU HA H 38 4.185 5.026 -0.841 1
1 374 . 18 1 1 A 38 38 GLU CB C 38 30.483 33.024 -2.541 1
1 380 . 18 1 1 A 38 38 GLU C C 38 176.222 174.972 1.250 1
1 381 . 18 1 1 A 39 39 LYS N N 39 123.877 125.944 -2.067 1
1 382 . 18 1 1 A 39 39 LYS H H 39 8.382 8.881 -0.499 1
1 383 . 18 1 1 A 39 39 LYS CA C 39 54.071 52.932 1.139 1
1 384 . 18 1 1 A 39 39 LYS HA H 39 4.545 4.747 -0.202 1
1 385 . 18 1 1 A 39 39 LYS CB C 39 32.423 33.010 -0.587 1
1 396 . 18 1 1 A 39 39 LYS C C 39 174.477 176.291 -1.814 1
1 397 . 18 1 1 A 40 40 PRO CA C 40 63.142 64.151 -1.009 1
1 398 . 18 1 1 A 40 40 PRO HA H 40 4.399 4.515 -0.116 1
1 399 . 18 1 1 A 40 40 PRO CB C 40 32.100 31.706 0.394 1
1 408 . 18 1 1 A 40 40 PRO C C 40 176.965 176.219 0.746 1
1 409 . 18 1 1 A 41 41 SER N N 41 116.545 115.272 1.273 1
1 410 . 18 1 1 A 41 41 SER H H 41 8.456 7.749 0.707 1
1 411 . 18 1 1 A 41 41 SER CA C 41 58.303 58.138 0.165 1
1 412 . 18 1 1 A 41 41 SER HA H 41 4.418 4.458 -0.040 1
1 413 . 18 1 1 A 41 41 SER CB C 41 64.033 64.270 -0.237 1
1 416 . 18 1 1 A 41 41 SER C C 41 174.604 174.332 0.272 1
1 417 . 18 1 1 A 42 42 GLY CA C 42 44.595 47.030 -2.435 1
1 418 . 18 1 1 A 42 42 GLY HA2 H 42 4.043 3.975 0.068 1
1 419 . 18 1 1 A 42 42 GLY HA3 H 42 4.102 3.975 0.127 1
1 420 . 18 1 1 A 43 43 PRO CA C 43 63.183 62.759 0.424 1
1 421 . 18 1 1 A 43 43 PRO HA H 43 4.409 4.644 -0.235 1
1 422 . 18 1 1 A 43 43 PRO CB C 43 32.160 32.161 -0.001 1
1 431 . 18 1 1 A 45 45 SER CA C 45 58.358 57.102 1.256 1
1 432 . 18 1 1 A 45 45 SER HA H 45 4.458 4.931 -0.473 1
1 433 . 18 1 1 A 45 45 SER CB C 45 64.035 65.906 -1.871 1
1 435 . 18 1 1 A 45 45 SER C C 45 173.906 173.042 0.864 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.360 45.443 -0.083 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 3.977 4.139 -0.162 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 3.977 4.140 -0.163 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.507 172.211 2.296 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.829 115.418 -2.589 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.115 8.665 -0.550 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.759 59.417 2.342 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.312 5.005 -0.693 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.817 71.710 -1.893 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.249 174.059 1.190 1
1 16 . 19 1 1 A 9 9 GLY N N 9 110.896 112.454 -1.558 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.416 8.648 -0.232 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.299 46.322 -1.023 1
1 19 . 19 1 1 A 9 9 GLY HA2 H 9 3.900 3.989 -0.089 1
1 20 . 19 1 1 A 9 9 GLY HA3 H 9 3.900 3.992 -0.092 1
1 21 . 19 1 1 A 9 9 GLY C C 9 174.082 175.194 -1.112 1
1 22 . 19 1 1 A 10 10 GLU N N 10 120.023 117.460 2.563 1
1 23 . 19 1 1 A 10 10 GLU H H 10 8.184 8.238 -0.054 1
1 24 . 19 1 1 A 10 10 GLU CA C 10 56.936 56.401 0.535 1
1 25 . 19 1 1 A 10 10 GLU HA H 10 4.102 4.285 -0.183 1
1 26 . 19 1 1 A 10 10 GLU CB C 10 30.327 29.933 0.394 1
1 32 . 19 1 1 A 10 10 GLU C C 10 176.503 176.782 -0.279 1
1 33 . 19 1 1 A 11 11 LYS N N 11 121.280 120.985 0.295 1
1 34 . 19 1 1 A 11 11 LYS H H 11 8.281 7.289 0.992 1
1 35 . 19 1 1 A 11 11 LYS CA C 11 53.669 53.917 -0.248 1
1 36 . 19 1 1 A 11 11 LYS HA H 11 4.388 4.425 -0.037 1
1 37 . 19 1 1 A 11 11 LYS CB C 11 33.080 31.839 1.241 1
1 49 . 19 1 1 A 11 11 LYS C C 11 173.641 176.293 -2.652 1
1 50 . 19 1 1 A 12 12 PRO CA C 12 63.359 63.742 -0.383 1
1 51 . 19 1 1 A 12 12 PRO HA H 12 4.181 4.304 -0.123 1
1 52 . 19 1 1 A 12 12 PRO CB C 12 32.233 31.119 1.114 1
1 61 . 19 1 1 A 12 12 PRO C C 12 176.415 175.507 0.908 1
1 62 . 19 1 1 A 13 13 TYR N N 13 118.435 119.594 -1.159 1
1 63 . 19 1 1 A 13 13 TYR H H 13 7.798 7.304 0.494 1
1 64 . 19 1 1 A 13 13 TYR CA C 13 57.003 56.807 0.196 1
1 65 . 19 1 1 A 13 13 TYR HA H 13 4.666 5.342 -0.676 1
1 66 . 19 1 1 A 13 13 TYR CB C 13 38.081 41.399 -3.318 1
1 77 . 19 1 1 A 13 13 TYR C C 13 174.560 174.713 -0.153 1
1 78 . 19 1 1 A 14 14 GLU N N 14 124.052 123.877 0.175 1
1 79 . 19 1 1 A 14 14 GLU H H 14 8.452 8.884 -0.432 1
1 80 . 19 1 1 A 14 14 GLU CA C 14 55.017 55.645 -0.628 1
1 81 . 19 1 1 A 14 14 GLU HA H 14 4.842 5.141 -0.299 1
1 82 . 19 1 1 A 14 14 GLU CB C 14 32.845 33.887 -1.042 1
1 88 . 19 1 1 A 14 14 GLU C C 14 175.274 174.518 0.756 1
1 89 . 19 1 1 A 15 15 CYS N N 15 126.436 124.856 1.580 1
1 90 . 19 1 1 A 15 15 CYS H H 15 9.246 9.205 0.041 1
1 91 . 19 1 1 A 15 15 CYS CA C 15 59.316 58.379 0.937 1
1 92 . 19 1 1 A 15 15 CYS HA H 15 4.516 4.602 -0.086 1
1 93 . 19 1 1 A 15 15 CYS CB C 15 29.534 27.017 2.517 1
1 96 . 19 1 1 A 15 15 CYS C C 15 177.358 175.152 2.206 1
1 97 . 19 1 1 A 16 16 LYS N N 16 117.311 127.043 -9.732 1
1 98 . 19 1 1 A 16 16 LYS H H 16 9.330 8.150 1.180 1
1 99 . 19 1 1 A 16 16 LYS CA C 16 58.072 59.266 -1.194 1
1 100 . 19 1 1 A 16 16 LYS HA H 16 4.136 4.065 0.071 1
1 101 . 19 1 1 A 16 16 LYS CB C 16 31.984 32.217 -0.233 1
1 113 . 19 1 1 A 16 16 LYS C C 16 177.050 178.637 -1.587 1
1 114 . 19 1 1 A 17 17 GLU N N 17 119.733 118.844 0.889 1
1 115 . 19 1 1 A 17 17 GLU H H 17 8.535 8.367 0.168 1
1 116 . 19 1 1 A 17 17 GLU CA C 17 58.258 59.128 -0.870 1
1 117 . 19 1 1 A 17 17 GLU HA H 17 4.129 4.042 0.087 1
1 118 . 19 1 1 A 17 17 GLU CB C 17 29.273 28.875 0.398 1
1 124 . 19 1 1 A 17 17 GLU C C 17 177.315 178.201 -0.886 1
1 125 . 19 1 1 A 18 18 CYS N N 18 129.046 114.901 14.145 1
1 126 . 19 1 1 A 18 18 CYS H H 18 7.834 7.680 0.154 1
1 127 . 19 1 1 A 18 18 CYS CA C 18 58.321 59.515 -1.194 1
1 128 . 19 1 1 A 18 18 CYS HA H 18 5.122 4.713 0.409 1
1 129 . 19 1 1 A 18 18 CYS CB C 18 32.639 30.224 2.415 1
1 132 . 19 1 1 A 18 18 CYS C C 18 176.226 175.284 0.942 1
1 133 . 19 1 1 A 19 19 GLY N N 19 113.826 109.653 4.173 1
1 134 . 19 1 1 A 19 19 GLY H H 19 8.242 8.534 -0.292 1
1 135 . 19 1 1 A 19 19 GLY CA C 19 46.088 46.190 -0.102 1
1 136 . 19 1 1 A 19 19 GLY HA2 H 19 4.179 4.018 0.161 1
1 137 . 19 1 1 A 19 19 GLY HA3 H 19 3.816 4.020 -0.204 1
1 138 . 19 1 1 A 19 19 GLY C C 19 173.827 173.858 -0.031 1
1 139 . 19 1 1 A 20 20 LYS N N 20 122.964 120.686 2.278 1
1 140 . 19 1 1 A 20 20 LYS H H 20 7.922 7.746 0.176 1
1 141 . 19 1 1 A 20 20 LYS CA C 20 58.100 55.053 3.047 1
1 142 . 19 1 1 A 20 20 LYS HA H 20 3.891 4.776 -0.885 1
1 143 . 19 1 1 A 20 20 LYS CB C 20 33.635 35.726 -2.091 1
1 155 . 19 1 1 A 20 20 LYS C C 20 173.610 174.747 -1.137 1
1 156 . 19 1 1 A 21 21 ALA N N 21 123.854 129.452 -5.598 1
1 157 . 19 1 1 A 21 21 ALA H H 21 7.723 8.778 -1.055 1
1 158 . 19 1 1 A 21 21 ALA CA C 21 50.412 50.329 0.083 1
1 159 . 19 1 1 A 21 21 ALA HA H 21 5.067 5.592 -0.525 1
1 160 . 19 1 1 A 21 21 ALA CB C 21 22.154 20.922 1.232 1
1 164 . 19 1 1 A 21 21 ALA C C 21 176.234 176.569 -0.335 1
1 165 . 19 1 1 A 22 22 PHE N N 22 116.521 119.008 -2.487 1
1 166 . 19 1 1 A 22 22 PHE H H 22 8.639 8.605 0.034 1
1 167 . 19 1 1 A 22 22 PHE CA C 22 57.304 56.686 0.618 1
1 168 . 19 1 1 A 22 22 PHE HA H 22 4.745 4.913 -0.168 1
1 169 . 19 1 1 A 22 22 PHE CB C 22 44.191 42.692 1.499 1
1 182 . 19 1 1 A 22 22 PHE C C 22 175.366 175.929 -0.563 1
1 183 . 19 1 1 A 23 23 SER N N 23 115.521 118.028 -2.507 1
1 184 . 19 1 1 A 23 23 SER H H 23 9.661 8.905 0.756 1
1 185 . 19 1 1 A 23 23 SER CA C 23 59.967 61.409 -1.442 1
1 186 . 19 1 1 A 23 23 SER HA H 23 4.679 4.409 0.270 1
1 187 . 19 1 1 A 23 23 SER CB C 23 64.445 63.247 1.198 1
1 190 . 19 1 1 A 23 23 SER C C 23 174.027 173.891 0.136 1
1 191 . 19 1 1 A 24 24 GLN N N 24 115.852 117.470 -1.618 1
1 192 . 19 1 1 A 24 24 GLN H H 24 7.218 8.006 -0.788 1
1 193 . 19 1 1 A 24 24 GLN CA C 24 53.982 54.374 -0.392 1
1 194 . 19 1 1 A 24 24 GLN HA H 24 4.834 4.698 0.136 1
1 195 . 19 1 1 A 24 24 GLN CB C 24 32.152 31.458 0.694 1
1 204 . 19 1 1 A 24 24 GLN C C 24 176.620 175.496 1.124 1
1 205 . 19 1 1 A 25 25 THR CA C 25 65.709 65.544 0.165 1
1 206 . 19 1 1 A 25 25 THR HA H 25 3.211 3.330 -0.119 1
1 207 . 19 1 1 A 25 25 THR CB C 25 67.811 68.645 -0.834 1
1 213 . 19 1 1 A 25 25 THR C C 25 176.919 175.646 1.273 1
1 214 . 19 1 1 A 26 26 THR N N 26 112.897 115.913 -3.016 1
1 215 . 19 1 1 A 26 26 THR H H 26 7.831 8.109 -0.278 1
1 216 . 19 1 1 A 26 26 THR CA C 26 65.080 65.614 -0.534 1
1 217 . 19 1 1 A 26 26 THR HA H 26 3.757 3.852 -0.095 1
1 218 . 19 1 1 A 26 26 THR CB C 26 68.011 68.705 -0.694 1
1 224 . 19 1 1 A 26 26 THR C C 26 176.443 176.868 -0.425 1
1 225 . 19 1 1 A 27 27 HIS N N 27 119.551 118.729 0.822 1
1 226 . 19 1 1 A 27 27 HIS H H 27 6.604 7.880 -1.276 1
1 227 . 19 1 1 A 27 27 HIS CA C 27 56.982 59.186 -2.204 1
1 228 . 19 1 1 A 27 27 HIS HA H 27 4.367 4.064 0.303 1
1 229 . 19 1 1 A 27 27 HIS CB C 27 31.824 29.524 2.300 1
1 236 . 19 1 1 A 27 27 HIS C C 27 178.059 176.988 1.071 1
1 237 . 19 1 1 A 28 28 LEU N N 28 121.872 120.911 0.961 1
1 238 . 19 1 1 A 28 28 LEU H H 28 6.995 7.814 -0.819 1
1 239 . 19 1 1 A 28 28 LEU CA C 28 57.919 57.254 0.665 1
1 240 . 19 1 1 A 28 28 LEU HA H 28 3.210 3.675 -0.465 1
1 241 . 19 1 1 A 28 28 LEU CB C 28 40.630 42.495 -1.865 1
1 254 . 19 1 1 A 28 28 LEU C C 28 177.447 178.238 -0.791 1
1 255 . 19 1 1 A 29 29 ILE N N 29 119.734 119.816 -0.082 1
1 256 . 19 1 1 A 29 29 ILE H H 29 8.121 7.725 0.396 1
1 257 . 19 1 1 A 29 29 ILE CA C 29 64.592 64.864 -0.272 1
1 258 . 19 1 1 A 29 29 ILE HA H 29 3.681 3.539 0.142 1
1 259 . 19 1 1 A 29 29 ILE CB C 29 37.668 37.398 0.270 1
1 272 . 19 1 1 A 29 29 ILE C C 29 179.288 177.814 1.474 1
1 273 . 19 1 1 A 30 30 GLN N N 30 117.944 119.806 -1.862 1
1 274 . 19 1 1 A 30 30 GLN H H 30 7.660 8.493 -0.833 1
1 275 . 19 1 1 A 30 30 GLN CA C 30 58.702 58.407 0.295 1
1 276 . 19 1 1 A 30 30 GLN HA H 30 3.893 3.992 -0.099 1
1 277 . 19 1 1 A 30 30 GLN CB C 30 28.308 28.163 0.145 1
1 286 . 19 1 1 A 30 30 GLN C C 30 178.753 177.914 0.839 1
1 287 . 19 1 1 A 31 31 HIS N N 31 118.960 119.933 -0.973 1
1 288 . 19 1 1 A 31 31 HIS H H 31 7.639 7.909 -0.270 1
1 289 . 19 1 1 A 31 31 HIS CA C 31 58.828 59.853 -1.025 1
1 290 . 19 1 1 A 31 31 HIS HA H 31 4.183 4.208 -0.025 1
1 291 . 19 1 1 A 31 31 HIS CB C 31 28.483 29.468 -0.985 1
1 298 . 19 1 1 A 31 31 HIS C C 31 175.999 177.078 -1.079 1
1 299 . 19 1 1 A 32 32 GLN N N 32 115.694 117.397 -1.703 1
1 300 . 19 1 1 A 32 32 GLN H H 32 8.201 8.067 0.134 1
1 301 . 19 1 1 A 32 32 GLN CA C 32 59.179 59.312 -0.133 1
1 302 . 19 1 1 A 32 32 GLN HA H 32 3.596 4.060 -0.464 1
1 303 . 19 1 1 A 32 32 GLN CB C 32 28.048 28.412 -0.364 1
1 312 . 19 1 1 A 32 32 GLN C C 32 177.337 178.499 -1.162 1
1 313 . 19 1 1 A 33 33 ARG N N 33 117.574 120.599 -3.025 1
1 314 . 19 1 1 A 33 33 ARG H H 33 7.079 8.004 -0.925 1
1 315 . 19 1 1 A 33 33 ARG CA C 33 58.431 59.086 -0.655 1
1 316 . 19 1 1 A 33 33 ARG HA H 33 4.090 4.033 0.057 1
1 317 . 19 1 1 A 33 33 ARG CB C 33 29.971 29.650 0.321 1
1 325 . 19 1 1 A 33 33 ARG C C 33 178.500 179.238 -0.738 1
1 326 . 19 1 1 A 34 34 VAL N N 34 116.091 117.179 -1.088 1
1 327 . 19 1 1 A 34 34 VAL H H 34 7.860 8.055 -0.195 1
1 328 . 19 1 1 A 34 34 VAL CA C 34 63.986 64.975 -0.989 1
1 329 . 19 1 1 A 34 34 VAL HA H 34 3.853 3.669 0.184 1
1 330 . 19 1 1 A 34 34 VAL CB C 34 31.100 31.132 -0.032 1
1 340 . 19 1 1 A 34 34 VAL C C 34 177.255 176.917 0.338 1
1 341 . 19 1 1 A 35 35 HIS N N 35 117.210 119.986 -2.776 1
1 342 . 19 1 1 A 35 35 HIS H H 35 7.164 7.691 -0.527 1
1 343 . 19 1 1 A 35 35 HIS CA C 35 55.166 58.199 -3.033 1
1 344 . 19 1 1 A 35 35 HIS HA H 35 4.811 4.478 0.333 1
1 345 . 19 1 1 A 35 35 HIS CB C 35 28.575 31.356 -2.781 1
1 352 . 19 1 1 A 35 35 HIS C C 35 175.753 175.666 0.087 1
1 353 . 19 1 1 A 36 36 THR N N 36 111.834 112.095 -0.261 1
1 354 . 19 1 1 A 36 36 THR H H 36 7.736 7.558 0.178 1
1 355 . 19 1 1 A 36 36 THR CA C 36 62.474 61.039 1.435 1
1 356 . 19 1 1 A 36 36 THR HA H 36 4.296 4.524 -0.228 1
1 357 . 19 1 1 A 36 36 THR CB C 36 69.785 69.468 0.317 1
1 363 . 19 1 1 A 36 36 THR C C 36 175.464 174.205 1.259 1
1 364 . 19 1 1 A 37 37 GLY N N 37 110.633 110.729 -0.096 1
1 365 . 19 1 1 A 37 37 GLY H H 37 8.203 8.343 -0.140 1
1 366 . 19 1 1 A 37 37 GLY CA C 37 45.294 45.070 0.224 1
1 367 . 19 1 1 A 37 37 GLY HA2 H 37 3.963 4.041 -0.078 1
1 368 . 19 1 1 A 37 37 GLY HA3 H 37 3.898 4.046 -0.148 1
1 369 . 19 1 1 A 37 37 GLY C C 37 174.023 172.934 1.089 1
1 370 . 19 1 1 A 38 38 GLU N N 38 120.541 122.130 -1.589 1
1 371 . 19 1 1 A 38 38 GLU H H 38 8.056 8.638 -0.582 1
1 372 . 19 1 1 A 38 38 GLU CA C 38 56.376 55.441 0.935 1
1 373 . 19 1 1 A 38 38 GLU HA H 38 4.185 4.446 -0.261 1
1 374 . 19 1 1 A 38 38 GLU CB C 38 30.483 27.938 2.545 1
1 380 . 19 1 1 A 38 38 GLU C C 38 176.222 175.275 0.947 1
1 381 . 19 1 1 A 39 39 LYS N N 39 123.877 125.437 -1.560 1
1 382 . 19 1 1 A 39 39 LYS H H 39 8.382 7.684 0.698 1
1 383 . 19 1 1 A 39 39 LYS CA C 39 54.071 52.786 1.285 1
1 384 . 19 1 1 A 39 39 LYS HA H 39 4.545 4.882 -0.337 1
1 385 . 19 1 1 A 39 39 LYS CB C 39 32.423 33.194 -0.771 1
1 396 . 19 1 1 A 39 39 LYS C C 39 174.477 174.236 0.241 1
1 397 . 19 1 1 A 40 40 PRO CA C 40 63.142 62.833 0.309 1
1 398 . 19 1 1 A 40 40 PRO HA H 40 4.399 4.600 -0.201 1
1 399 . 19 1 1 A 40 40 PRO CB C 40 32.100 31.775 0.325 1
1 408 . 19 1 1 A 40 40 PRO C C 40 176.965 176.073 0.892 1
1 409 . 19 1 1 A 41 41 SER N N 41 116.545 119.388 -2.843 1
1 410 . 19 1 1 A 41 41 SER H H 41 8.456 8.514 -0.058 1
1 411 . 19 1 1 A 41 41 SER CA C 41 58.303 57.800 0.503 1
1 412 . 19 1 1 A 41 41 SER HA H 41 4.418 5.189 -0.771 1
1 413 . 19 1 1 A 41 41 SER CB C 41 64.033 66.117 -2.084 1
1 416 . 19 1 1 A 41 41 SER C C 41 174.604 174.101 0.503 1
1 417 . 19 1 1 A 42 42 GLY CA C 42 44.595 45.363 -0.768 1
1 418 . 19 1 1 A 42 42 GLY HA2 H 42 4.043 4.230 -0.187 1
1 419 . 19 1 1 A 42 42 GLY HA3 H 42 4.102 4.230 -0.128 1
1 420 . 19 1 1 A 43 43 PRO CA C 43 63.183 63.978 -0.795 1
1 421 . 19 1 1 A 43 43 PRO HA H 43 4.409 4.412 -0.003 1
1 422 . 19 1 1 A 43 43 PRO CB C 43 32.160 32.037 0.123 1
1 431 . 19 1 1 A 45 45 SER CA C 45 58.358 59.194 -0.836 1
1 432 . 19 1 1 A 45 45 SER HA H 45 4.458 4.665 -0.207 1
1 433 . 19 1 1 A 45 45 SER CB C 45 64.035 64.473 -0.438 1
1 435 . 19 1 1 A 45 45 SER C C 45 173.906 175.426 -1.520 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.360 45.795 -0.435 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 3.977 4.113 -0.136 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 3.977 4.114 -0.137 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.507 174.372 0.135 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.829 112.918 -0.089 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.115 8.243 -0.128 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.759 62.263 -0.504 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.312 4.584 -0.272 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.817 70.257 -0.440 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.249 174.337 0.912 1
1 16 . 20 1 1 A 9 9 GLY N N 9 110.896 109.038 1.858 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.416 7.441 0.975 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.299 44.464 0.835 1
1 19 . 20 1 1 A 9 9 GLY HA2 H 9 3.900 4.040 -0.140 1
1 20 . 20 1 1 A 9 9 GLY HA3 H 9 3.900 4.042 -0.142 1
1 21 . 20 1 1 A 9 9 GLY C C 9 174.082 172.958 1.124 1
1 22 . 20 1 1 A 10 10 GLU N N 10 120.023 120.997 -0.974 1
1 23 . 20 1 1 A 10 10 GLU H H 10 8.184 8.435 -0.251 1
1 24 . 20 1 1 A 10 10 GLU CA C 10 56.936 56.429 0.507 1
1 25 . 20 1 1 A 10 10 GLU HA H 10 4.102 4.478 -0.376 1
1 26 . 20 1 1 A 10 10 GLU CB C 10 30.327 30.149 0.178 1
1 32 . 20 1 1 A 10 10 GLU C C 10 176.503 175.960 0.543 1
1 33 . 20 1 1 A 11 11 LYS N N 11 121.280 125.645 -4.365 1
1 34 . 20 1 1 A 11 11 LYS H H 11 8.281 8.350 -0.069 1
1 35 . 20 1 1 A 11 11 LYS CA C 11 53.669 53.564 0.105 1
1 36 . 20 1 1 A 11 11 LYS HA H 11 4.388 4.954 -0.566 1
1 37 . 20 1 1 A 11 11 LYS CB C 11 33.080 33.210 -0.130 1
1 49 . 20 1 1 A 11 11 LYS C C 11 173.641 174.941 -1.300 1
1 50 . 20 1 1 A 12 12 PRO CA C 12 63.359 63.786 -0.427 1
1 51 . 20 1 1 A 12 12 PRO HA H 12 4.181 4.348 -0.167 1
1 52 . 20 1 1 A 12 12 PRO CB C 12 32.233 31.081 1.152 1
1 61 . 20 1 1 A 12 12 PRO C C 12 176.415 175.510 0.905 1
1 62 . 20 1 1 A 13 13 TYR N N 13 118.435 119.636 -1.201 1
1 63 . 20 1 1 A 13 13 TYR H H 13 7.798 7.293 0.505 1
1 64 . 20 1 1 A 13 13 TYR CA C 13 57.003 56.940 0.063 1
1 65 . 20 1 1 A 13 13 TYR HA H 13 4.666 5.118 -0.452 1
1 66 . 20 1 1 A 13 13 TYR CB C 13 38.081 39.872 -1.791 1
1 77 . 20 1 1 A 13 13 TYR C C 13 174.560 174.445 0.115 1
1 78 . 20 1 1 A 14 14 GLU N N 14 124.052 124.890 -0.838 1
1 79 . 20 1 1 A 14 14 GLU H H 14 8.452 9.051 -0.599 1
1 80 . 20 1 1 A 14 14 GLU CA C 14 55.017 54.711 0.306 1
1 81 . 20 1 1 A 14 14 GLU HA H 14 4.842 5.418 -0.576 1
1 82 . 20 1 1 A 14 14 GLU CB C 14 32.845 33.754 -0.909 1
1 88 . 20 1 1 A 14 14 GLU C C 14 175.274 174.539 0.735 1
1 89 . 20 1 1 A 15 15 CYS N N 15 126.436 123.247 3.189 1
1 90 . 20 1 1 A 15 15 CYS H H 15 9.246 8.961 0.285 1
1 91 . 20 1 1 A 15 15 CYS CA C 15 59.316 58.718 0.598 1
1 92 . 20 1 1 A 15 15 CYS HA H 15 4.516 4.785 -0.269 1
1 93 . 20 1 1 A 15 15 CYS CB C 15 29.534 28.776 0.758 1
1 96 . 20 1 1 A 15 15 CYS C C 15 177.358 175.584 1.774 1
1 97 . 20 1 1 A 16 16 LYS N N 16 117.311 128.489 -11.178 1
1 98 . 20 1 1 A 16 16 LYS H H 16 9.330 9.089 0.241 1
1 99 . 20 1 1 A 16 16 LYS CA C 16 58.072 56.304 1.768 1
1 100 . 20 1 1 A 16 16 LYS HA H 16 4.136 4.445 -0.309 1
1 101 . 20 1 1 A 16 16 LYS CB C 16 31.984 32.665 -0.681 1
1 113 . 20 1 1 A 16 16 LYS C C 16 177.050 176.946 0.104 1
1 114 . 20 1 1 A 17 17 GLU N N 17 119.733 117.886 1.847 1
1 115 . 20 1 1 A 17 17 GLU H H 17 8.535 7.954 0.581 1
1 116 . 20 1 1 A 17 17 GLU CA C 17 58.258 56.866 1.392 1
1 117 . 20 1 1 A 17 17 GLU HA H 17 4.129 4.467 -0.338 1
1 118 . 20 1 1 A 17 17 GLU CB C 17 29.273 32.094 -2.821 1
1 124 . 20 1 1 A 17 17 GLU C C 17 177.315 177.910 -0.595 1
1 125 . 20 1 1 A 18 18 CYS N N 18 129.046 115.054 13.992 1
1 126 . 20 1 1 A 18 18 CYS H H 18 7.834 8.109 -0.275 1
1 127 . 20 1 1 A 18 18 CYS CA C 18 58.321 59.414 -1.093 1
1 128 . 20 1 1 A 18 18 CYS HA H 18 5.122 4.743 0.379 1
1 129 . 20 1 1 A 18 18 CYS CB C 18 32.639 30.355 2.284 1
1 132 . 20 1 1 A 18 18 CYS C C 18 176.226 175.582 0.644 1
1 133 . 20 1 1 A 19 19 GLY N N 19 113.826 110.045 3.781 1
1 134 . 20 1 1 A 19 19 GLY H H 19 8.242 8.515 -0.273 1
1 135 . 20 1 1 A 19 19 GLY CA C 19 46.088 46.212 -0.124 1
1 136 . 20 1 1 A 19 19 GLY HA2 H 19 4.179 3.983 0.196 1
1 137 . 20 1 1 A 19 19 GLY HA3 H 19 3.816 3.986 -0.170 1
1 138 . 20 1 1 A 19 19 GLY C C 19 173.827 173.833 -0.006 1
1 139 . 20 1 1 A 20 20 LYS N N 20 122.964 120.147 2.817 1
1 140 . 20 1 1 A 20 20 LYS H H 20 7.922 7.627 0.295 1
1 141 . 20 1 1 A 20 20 LYS CA C 20 58.100 54.798 3.302 1
1 142 . 20 1 1 A 20 20 LYS HA H 20 3.891 4.744 -0.853 1
1 143 . 20 1 1 A 20 20 LYS CB C 20 33.635 35.012 -1.377 1
1 155 . 20 1 1 A 20 20 LYS C C 20 173.610 174.337 -0.727 1
1 156 . 20 1 1 A 21 21 ALA N N 21 123.854 129.098 -5.244 1
1 157 . 20 1 1 A 21 21 ALA H H 21 7.723 8.661 -0.938 1
1 158 . 20 1 1 A 21 21 ALA CA C 21 50.412 50.384 0.028 1
1 159 . 20 1 1 A 21 21 ALA HA H 21 5.067 5.364 -0.297 1
1 160 . 20 1 1 A 21 21 ALA CB C 21 22.154 21.311 0.843 1
1 164 . 20 1 1 A 21 21 ALA C C 21 176.234 176.280 -0.046 1
1 165 . 20 1 1 A 22 22 PHE N N 22 116.521 118.713 -2.192 1
1 166 . 20 1 1 A 22 22 PHE H H 22 8.639 9.149 -0.510 1
1 167 . 20 1 1 A 22 22 PHE CA C 22 57.304 56.545 0.759 1
1 168 . 20 1 1 A 22 22 PHE HA H 22 4.745 4.784 -0.039 1
1 169 . 20 1 1 A 22 22 PHE CB C 22 44.191 42.588 1.603 1
1 182 . 20 1 1 A 22 22 PHE C C 22 175.366 175.609 -0.243 1
1 183 . 20 1 1 A 23 23 SER N N 23 115.521 115.838 -0.317 1
1 184 . 20 1 1 A 23 23 SER H H 23 9.661 8.909 0.752 1
1 185 . 20 1 1 A 23 23 SER CA C 23 59.967 59.451 0.516 1
1 186 . 20 1 1 A 23 23 SER HA H 23 4.679 4.617 0.062 1
1 187 . 20 1 1 A 23 23 SER CB C 23 64.445 63.741 0.704 1
1 190 . 20 1 1 A 23 23 SER C C 23 174.027 174.297 -0.270 1
1 191 . 20 1 1 A 24 24 GLN N N 24 115.852 120.775 -4.923 1
1 192 . 20 1 1 A 24 24 GLN H H 24 7.218 7.709 -0.491 1
1 193 . 20 1 1 A 24 24 GLN CA C 24 53.982 54.585 -0.603 1
1 194 . 20 1 1 A 24 24 GLN HA H 24 4.834 4.711 0.123 1
1 195 . 20 1 1 A 24 24 GLN CB C 24 32.152 30.563 1.589 1
1 204 . 20 1 1 A 24 24 GLN C C 24 176.620 175.998 0.622 1
1 205 . 20 1 1 A 25 25 THR CA C 25 65.709 65.837 -0.128 1
1 206 . 20 1 1 A 25 25 THR HA H 25 3.211 3.404 -0.193 1
1 207 . 20 1 1 A 25 25 THR CB C 25 67.811 67.918 -0.107 1
1 213 . 20 1 1 A 25 25 THR C C 25 176.919 176.315 0.604 1
1 214 . 20 1 1 A 26 26 THR N N 26 112.897 117.938 -5.041 1
1 215 . 20 1 1 A 26 26 THR H H 26 7.831 8.283 -0.452 1
1 216 . 20 1 1 A 26 26 THR CA C 26 65.080 65.377 -0.297 1
1 217 . 20 1 1 A 26 26 THR HA H 26 3.757 3.957 -0.200 1
1 218 . 20 1 1 A 26 26 THR CB C 26 68.011 68.661 -0.650 1
1 224 . 20 1 1 A 26 26 THR C C 26 176.443 176.251 0.192 1
1 225 . 20 1 1 A 27 27 HIS N N 27 119.551 121.243 -1.692 1
1 226 . 20 1 1 A 27 27 HIS H H 27 6.604 7.839 -1.235 1
1 227 . 20 1 1 A 27 27 HIS CA C 27 56.982 60.054 -3.072 1
1 228 . 20 1 1 A 27 27 HIS HA H 27 4.367 4.141 0.226 1
1 229 . 20 1 1 A 27 27 HIS CB C 27 31.824 29.883 1.941 1
1 236 . 20 1 1 A 27 27 HIS C C 27 178.059 176.123 1.936 1
1 237 . 20 1 1 A 28 28 LEU N N 28 121.872 119.611 2.261 1
1 238 . 20 1 1 A 28 28 LEU H H 28 6.995 7.574 -0.579 1
1 239 . 20 1 1 A 28 28 LEU CA C 28 57.919 58.107 -0.188 1
1 240 . 20 1 1 A 28 28 LEU HA H 28 3.210 3.348 -0.138 1
1 241 . 20 1 1 A 28 28 LEU CB C 28 40.630 41.668 -1.038 1
1 254 . 20 1 1 A 28 28 LEU C C 28 177.447 178.511 -1.064 1
1 255 . 20 1 1 A 29 29 ILE N N 29 119.734 120.258 -0.524 1
1 256 . 20 1 1 A 29 29 ILE H H 29 8.121 7.909 0.212 1
1 257 . 20 1 1 A 29 29 ILE CA C 29 64.592 65.117 -0.525 1
1 258 . 20 1 1 A 29 29 ILE HA H 29 3.681 3.522 0.159 1
1 259 . 20 1 1 A 29 29 ILE CB C 29 37.668 37.649 0.019 1
1 272 . 20 1 1 A 29 29 ILE C C 29 179.288 178.092 1.196 1
1 273 . 20 1 1 A 30 30 GLN N N 30 117.944 118.605 -0.661 1
1 274 . 20 1 1 A 30 30 GLN H H 30 7.660 7.969 -0.309 1
1 275 . 20 1 1 A 30 30 GLN CA C 30 58.702 58.671 0.031 1
1 276 . 20 1 1 A 30 30 GLN HA H 30 3.893 4.027 -0.134 1
1 277 . 20 1 1 A 30 30 GLN CB C 30 28.308 28.561 -0.253 1
1 286 . 20 1 1 A 30 30 GLN C C 30 178.753 177.983 0.770 1
1 287 . 20 1 1 A 31 31 HIS N N 31 118.960 120.761 -1.801 1
1 288 . 20 1 1 A 31 31 HIS H H 31 7.639 8.397 -0.758 1
1 289 . 20 1 1 A 31 31 HIS CA C 31 58.828 59.954 -1.126 1
1 290 . 20 1 1 A 31 31 HIS HA H 31 4.183 4.180 0.003 1
1 291 . 20 1 1 A 31 31 HIS CB C 31 28.483 29.309 -0.826 1
1 298 . 20 1 1 A 31 31 HIS C C 31 175.999 177.209 -1.210 1
1 299 . 20 1 1 A 32 32 GLN N N 32 115.694 117.554 -1.860 1
1 300 . 20 1 1 A 32 32 GLN H H 32 8.201 8.027 0.174 1
1 301 . 20 1 1 A 32 32 GLN CA C 32 59.179 58.995 0.184 1
1 302 . 20 1 1 A 32 32 GLN HA H 32 3.596 3.909 -0.313 1
1 303 . 20 1 1 A 32 32 GLN CB C 32 28.048 28.337 -0.289 1
1 312 . 20 1 1 A 32 32 GLN C C 32 177.337 178.503 -1.166 1
1 313 . 20 1 1 A 33 33 ARG N N 33 117.574 120.506 -2.932 1
1 314 . 20 1 1 A 33 33 ARG H H 33 7.079 7.859 -0.780 1
1 315 . 20 1 1 A 33 33 ARG CA C 33 58.431 59.089 -0.658 1
1 316 . 20 1 1 A 33 33 ARG HA H 33 4.090 4.035 0.055 1
1 317 . 20 1 1 A 33 33 ARG CB C 33 29.971 29.658 0.313 1
1 325 . 20 1 1 A 33 33 ARG C C 33 178.500 179.349 -0.849 1
1 326 . 20 1 1 A 34 34 VAL N N 34 116.091 116.802 -0.711 1
1 327 . 20 1 1 A 34 34 VAL H H 34 7.860 7.799 0.061 1
1 328 . 20 1 1 A 34 34 VAL CA C 34 63.986 65.111 -1.125 1
1 329 . 20 1 1 A 34 34 VAL HA H 34 3.853 3.733 0.120 1
1 330 . 20 1 1 A 34 34 VAL CB C 34 31.100 31.200 -0.100 1
1 340 . 20 1 1 A 34 34 VAL C C 34 177.255 176.543 0.712 1
1 341 . 20 1 1 A 35 35 HIS N N 35 117.210 119.765 -2.555 1
1 342 . 20 1 1 A 35 35 HIS H H 35 7.164 7.620 -0.456 1
1 343 . 20 1 1 A 35 35 HIS CA C 35 55.166 56.524 -1.358 1
1 344 . 20 1 1 A 35 35 HIS HA H 35 4.811 4.554 0.257 1
1 345 . 20 1 1 A 35 35 HIS CB C 35 28.575 29.049 -0.474 1
1 352 . 20 1 1 A 35 35 HIS C C 35 175.753 176.053 -0.300 1
1 353 . 20 1 1 A 36 36 THR N N 36 111.834 114.414 -2.580 1
1 354 . 20 1 1 A 36 36 THR H H 36 7.736 7.891 -0.155 1
1 355 . 20 1 1 A 36 36 THR CA C 36 62.474 65.348 -2.874 1
1 356 . 20 1 1 A 36 36 THR HA H 36 4.296 3.931 0.365 1
1 357 . 20 1 1 A 36 36 THR CB C 36 69.785 68.707 1.078 1
1 363 . 20 1 1 A 36 36 THR C C 36 175.464 175.699 -0.235 1
1 364 . 20 1 1 A 37 37 GLY N N 37 110.633 109.224 1.409 1
1 365 . 20 1 1 A 37 37 GLY H H 37 8.203 7.661 0.542 1
1 366 . 20 1 1 A 37 37 GLY CA C 37 45.294 45.103 0.191 1
1 367 . 20 1 1 A 37 37 GLY HA2 H 37 3.963 4.057 -0.094 1
1 368 . 20 1 1 A 37 37 GLY HA3 H 37 3.898 4.060 -0.162 1
1 369 . 20 1 1 A 37 37 GLY C C 37 174.023 172.526 1.497 1
1 370 . 20 1 1 A 38 38 GLU N N 38 120.541 122.676 -2.135 1
1 371 . 20 1 1 A 38 38 GLU H H 38 8.056 8.606 -0.550 1
1 372 . 20 1 1 A 38 38 GLU CA C 38 56.376 55.505 0.871 1
1 373 . 20 1 1 A 38 38 GLU HA H 38 4.185 4.528 -0.343 1
1 374 . 20 1 1 A 38 38 GLU CB C 38 30.483 28.081 2.402 1
1 380 . 20 1 1 A 38 38 GLU C C 38 176.222 175.054 1.168 1
1 381 . 20 1 1 A 39 39 LYS N N 39 123.877 124.147 -0.270 1
1 382 . 20 1 1 A 39 39 LYS H H 39 8.382 7.672 0.710 1
1 383 . 20 1 1 A 39 39 LYS CA C 39 54.071 53.026 1.045 1
1 384 . 20 1 1 A 39 39 LYS HA H 39 4.545 4.799 -0.254 1
1 385 . 20 1 1 A 39 39 LYS CB C 39 32.423 34.950 -2.527 1
1 396 . 20 1 1 A 39 39 LYS C C 39 174.477 176.066 -1.589 1
1 397 . 20 1 1 A 40 40 PRO CA C 40 63.142 64.219 -1.077 1
1 398 . 20 1 1 A 40 40 PRO HA H 40 4.399 4.576 -0.177 1
1 399 . 20 1 1 A 40 40 PRO CB C 40 32.100 31.816 0.284 1
1 408 . 20 1 1 A 40 40 PRO C C 40 176.965 176.840 0.125 1
1 409 . 20 1 1 A 41 41 SER N N 41 116.545 112.362 4.183 1
1 410 . 20 1 1 A 41 41 SER H H 41 8.456 7.581 0.875 1
1 411 . 20 1 1 A 41 41 SER CA C 41 58.303 59.594 -1.291 1
1 412 . 20 1 1 A 41 41 SER HA H 41 4.418 4.336 0.082 1
1 413 . 20 1 1 A 41 41 SER CB C 41 64.033 63.108 0.925 1
1 416 . 20 1 1 A 41 41 SER C C 41 174.604 174.629 -0.025 1
1 417 . 20 1 1 A 42 42 GLY CA C 42 44.595 45.453 -0.858 1
1 418 . 20 1 1 A 42 42 GLY HA2 H 42 4.043 4.194 -0.151 1
1 419 . 20 1 1 A 42 42 GLY HA3 H 42 4.102 4.244 -0.142 1
1 420 . 20 1 1 A 43 43 PRO CA C 43 63.183 62.660 0.523 1
1 421 . 20 1 1 A 43 43 PRO HA H 43 4.409 4.749 -0.340 1
1 422 . 20 1 1 A 43 43 PRO CB C 43 32.160 31.836 0.324 1
1 431 . 20 1 1 A 45 45 SER CA C 45 58.358 58.803 -0.445 1
1 432 . 20 1 1 A 45 45 SER HA H 45 4.458 4.383 0.075 1
1 433 . 20 1 1 A 45 45 SER CB C 45 64.035 64.560 -0.525 1
1 435 . 20 1 1 A 45 45 SER C C 45 173.906 174.298 -0.392 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 36 0.884 1
2 1 1 1 "RMS(OBS, PRED)" CA 38 1.435 1
3 1 1 1 "RMS(OBS, PRED)" CB 33 1.302 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.537 1
5 1 1 1 "RMS(OBS, PRED)" HA 43 0.301 1
6 1 1 1 "RMS(OBS, PRED)" N 31 3.981 1
7 1 2 1 "RMS(OBS, PRED)" C 36 0.986 1
8 1 2 1 "RMS(OBS, PRED)" CA 38 1.294 1
9 1 2 1 "RMS(OBS, PRED)" CB 33 1.257 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.546 1
11 1 2 1 "RMS(OBS, PRED)" HA 43 0.292 1
12 1 2 1 "RMS(OBS, PRED)" N 31 4.232 1
13 1 3 1 "RMS(OBS, PRED)" C 36 1.059 1
14 1 3 1 "RMS(OBS, PRED)" CA 38 1.170 1
15 1 3 1 "RMS(OBS, PRED)" CB 33 1.845 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.606 1
17 1 3 1 "RMS(OBS, PRED)" HA 43 0.329 1
18 1 3 1 "RMS(OBS, PRED)" N 31 4.188 1
19 1 4 1 "RMS(OBS, PRED)" C 36 1.137 1
20 1 4 1 "RMS(OBS, PRED)" CA 38 1.158 1
21 1 4 1 "RMS(OBS, PRED)" CB 33 1.342 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.521 1
23 1 4 1 "RMS(OBS, PRED)" HA 43 0.342 1
24 1 4 1 "RMS(OBS, PRED)" N 31 3.919 1
25 1 5 1 "RMS(OBS, PRED)" C 36 0.989 1
26 1 5 1 "RMS(OBS, PRED)" CA 38 1.226 1
27 1 5 1 "RMS(OBS, PRED)" CB 33 1.541 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.517 1
29 1 5 1 "RMS(OBS, PRED)" HA 43 0.321 1
30 1 5 1 "RMS(OBS, PRED)" N 31 4.047 1
31 1 6 1 "RMS(OBS, PRED)" C 36 1.013 1
32 1 6 1 "RMS(OBS, PRED)" CA 38 1.407 1
33 1 6 1 "RMS(OBS, PRED)" CB 33 1.608 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.623 1
35 1 6 1 "RMS(OBS, PRED)" HA 43 0.328 1
36 1 6 1 "RMS(OBS, PRED)" N 31 4.101 1
37 1 7 1 "RMS(OBS, PRED)" C 36 0.863 1
38 1 7 1 "RMS(OBS, PRED)" CA 38 1.159 1
39 1 7 1 "RMS(OBS, PRED)" CB 33 1.437 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.618 1
41 1 7 1 "RMS(OBS, PRED)" HA 43 0.324 1
42 1 7 1 "RMS(OBS, PRED)" N 31 3.668 1
43 1 8 1 "RMS(OBS, PRED)" C 36 0.833 1
44 1 8 1 "RMS(OBS, PRED)" CA 38 1.310 1
45 1 8 1 "RMS(OBS, PRED)" CB 33 1.400 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.503 1
47 1 8 1 "RMS(OBS, PRED)" HA 43 0.307 1
48 1 8 1 "RMS(OBS, PRED)" N 31 4.129 1
49 1 9 1 "RMS(OBS, PRED)" C 36 0.953 1
50 1 9 1 "RMS(OBS, PRED)" CA 38 1.020 1
51 1 9 1 "RMS(OBS, PRED)" CB 33 1.329 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.585 1
53 1 9 1 "RMS(OBS, PRED)" HA 43 0.312 1
54 1 9 1 "RMS(OBS, PRED)" N 31 3.769 1
55 1 10 1 "RMS(OBS, PRED)" C 36 0.985 1
56 1 10 1 "RMS(OBS, PRED)" CA 38 1.293 1
57 1 10 1 "RMS(OBS, PRED)" CB 33 1.179 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.639 1
59 1 10 1 "RMS(OBS, PRED)" HA 43 0.324 1
60 1 10 1 "RMS(OBS, PRED)" N 31 3.915 1
61 1 11 1 "RMS(OBS, PRED)" C 36 1.026 1
62 1 11 1 "RMS(OBS, PRED)" CA 38 1.233 1
63 1 11 1 "RMS(OBS, PRED)" CB 33 1.519 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.558 1
65 1 11 1 "RMS(OBS, PRED)" HA 43 0.354 1
66 1 11 1 "RMS(OBS, PRED)" N 31 4.020 1
67 1 12 1 "RMS(OBS, PRED)" C 36 1.010 1
68 1 12 1 "RMS(OBS, PRED)" CA 38 1.196 1
69 1 12 1 "RMS(OBS, PRED)" CB 33 1.399 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.535 1
71 1 12 1 "RMS(OBS, PRED)" HA 43 0.351 1
72 1 12 1 "RMS(OBS, PRED)" N 31 3.926 1
73 1 13 1 "RMS(OBS, PRED)" C 36 1.043 1
74 1 13 1 "RMS(OBS, PRED)" CA 38 1.460 1
75 1 13 1 "RMS(OBS, PRED)" CB 33 1.470 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.594 1
77 1 13 1 "RMS(OBS, PRED)" HA 43 0.296 1
78 1 13 1 "RMS(OBS, PRED)" N 31 4.089 1
79 1 14 1 "RMS(OBS, PRED)" C 36 1.057 1
80 1 14 1 "RMS(OBS, PRED)" CA 38 1.107 1
81 1 14 1 "RMS(OBS, PRED)" CB 33 1.325 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.549 1
83 1 14 1 "RMS(OBS, PRED)" HA 43 0.339 1
84 1 14 1 "RMS(OBS, PRED)" N 31 4.311 1
85 1 15 1 "RMS(OBS, PRED)" C 36 1.088 1
86 1 15 1 "RMS(OBS, PRED)" CA 38 1.311 1
87 1 15 1 "RMS(OBS, PRED)" CB 33 1.714 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.514 1
89 1 15 1 "RMS(OBS, PRED)" HA 43 0.337 1
90 1 15 1 "RMS(OBS, PRED)" N 31 3.894 1
91 1 16 1 "RMS(OBS, PRED)" C 36 1.131 1
92 1 16 1 "RMS(OBS, PRED)" CA 38 1.447 1
93 1 16 1 "RMS(OBS, PRED)" CB 33 1.508 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.599 1
95 1 16 1 "RMS(OBS, PRED)" HA 43 0.307 1
96 1 16 1 "RMS(OBS, PRED)" N 31 3.910 1
97 1 17 1 "RMS(OBS, PRED)" C 36 1.011 1
98 1 17 1 "RMS(OBS, PRED)" CA 38 1.304 1
99 1 17 1 "RMS(OBS, PRED)" CB 33 1.682 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.643 1
101 1 17 1 "RMS(OBS, PRED)" HA 43 0.336 1
102 1 17 1 "RMS(OBS, PRED)" N 31 3.904 1
103 1 18 1 "RMS(OBS, PRED)" C 36 1.061 1
104 1 18 1 "RMS(OBS, PRED)" CA 38 1.155 1
105 1 18 1 "RMS(OBS, PRED)" CB 33 1.392 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.577 1
107 1 18 1 "RMS(OBS, PRED)" HA 43 0.297 1
108 1 18 1 "RMS(OBS, PRED)" N 31 4.192 1
109 1 19 1 "RMS(OBS, PRED)" C 36 1.137 1
110 1 19 1 "RMS(OBS, PRED)" CA 38 1.142 1
111 1 19 1 "RMS(OBS, PRED)" CB 33 1.498 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.606 1
113 1 19 1 "RMS(OBS, PRED)" HA 43 0.320 1
114 1 19 1 "RMS(OBS, PRED)" N 31 3.801 1
115 1 20 1 "RMS(OBS, PRED)" C 36 0.898 1
116 1 20 1 "RMS(OBS, PRED)" CA 38 1.154 1
117 1 20 1 "RMS(OBS, PRED)" CB 33 1.238 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.572 1
119 1 20 1 "RMS(OBS, PRED)" HA 43 0.286 1
120 1 20 1 "RMS(OBS, PRED)" N 31 4.187 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 CA C 7 45.360 45.611 -0.251 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 3.977 4.045 -0.068 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 3.977 4.047 -0.070 2
1 4 . 1 1 A 7 7 GLY C C 7 174.507 173.860 0.647 2
1 5 . 1 1 A 8 8 THR N N 8 112.829 115.203 -2.374 2
1 6 . 1 1 A 8 8 THR H H 8 8.115 8.268 -0.153 2
1 7 . 1 1 A 8 8 THR CA C 8 61.759 62.272 -0.513 2
1 8 . 1 1 A 8 8 THR HA H 8 4.312 4.437 -0.125 2
1 9 . 1 1 A 8 8 THR CB C 8 69.817 69.817 -0.000 2
1 15 . 1 1 A 8 8 THR C C 8 175.249 174.496 0.753 2
1 16 . 1 1 A 9 9 GLY N N 9 110.896 110.721 0.175 2
1 17 . 1 1 A 9 9 GLY H H 9 8.416 8.260 0.156 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.299 45.363 -0.064 2
1 19 . 1 1 A 9 9 GLY HA2 H 9 3.900 4.028 -0.128 2
1 20 . 1 1 A 9 9 GLY HA3 H 9 3.900 4.031 -0.131 2
1 21 . 1 1 A 9 9 GLY C C 9 174.082 173.817 0.265 2
1 22 . 1 1 A 10 10 GLU N N 10 120.023 120.406 -0.383 2
1 23 . 1 1 A 10 10 GLU H H 10 8.184 8.351 -0.167 2
1 24 . 1 1 A 10 10 GLU CA C 10 56.936 55.864 1.072 2
1 25 . 1 1 A 10 10 GLU HA H 10 4.102 4.528 -0.426 2
1 26 . 1 1 A 10 10 GLU CB C 10 30.327 30.868 -0.541 2
1 32 . 1 1 A 10 10 GLU C C 10 176.503 175.724 0.779 2
1 33 . 1 1 A 11 11 LYS N N 11 121.280 122.152 -0.872 2
1 34 . 1 1 A 11 11 LYS H H 11 8.281 8.218 0.063 2
1 35 . 1 1 A 11 11 LYS CA C 11 53.669 53.888 -0.219 2
1 36 . 1 1 A 11 11 LYS HA H 11 4.388 4.523 -0.135 2
1 37 . 1 1 A 11 11 LYS CB C 11 33.080 32.601 0.479 2
1 49 . 1 1 A 11 11 LYS C C 11 173.641 176.203 -2.562 2
1 50 . 1 1 A 12 12 PRO CA C 12 63.359 63.797 -0.438 2
1 51 . 1 1 A 12 12 PRO HA H 12 4.181 4.310 -0.129 2
1 52 . 1 1 A 12 12 PRO CB C 12 32.233 31.144 1.089 2
1 61 . 1 1 A 12 12 PRO C C 12 176.415 175.558 0.857 2
1 62 . 1 1 A 13 13 TYR N N 13 118.435 119.155 -0.720 2
1 63 . 1 1 A 13 13 TYR H H 13 7.798 7.324 0.474 2
1 64 . 1 1 A 13 13 TYR CA C 13 57.003 56.791 0.212 2
1 65 . 1 1 A 13 13 TYR HA H 13 4.666 5.290 -0.624 2
1 66 . 1 1 A 13 13 TYR CB C 13 38.081 41.156 -3.075 2
1 77 . 1 1 A 13 13 TYR C C 13 174.560 174.455 0.105 2
1 78 . 1 1 A 14 14 GLU N N 14 124.052 124.352 -0.300 2
1 79 . 1 1 A 14 14 GLU H H 14 8.452 8.997 -0.545 2
1 80 . 1 1 A 14 14 GLU CA C 14 55.017 55.275 -0.258 2
1 81 . 1 1 A 14 14 GLU HA H 14 4.842 5.231 -0.389 2
1 82 . 1 1 A 14 14 GLU CB C 14 32.845 33.874 -1.029 2
1 88 . 1 1 A 14 14 GLU C C 14 175.274 174.817 0.457 2
1 89 . 1 1 A 15 15 CYS N N 15 126.436 124.463 1.973 2
1 90 . 1 1 A 15 15 CYS H H 15 9.246 9.169 0.077 2
1 91 . 1 1 A 15 15 CYS CA C 15 59.316 58.977 0.339 2
1 92 . 1 1 A 15 15 CYS HA H 15 4.516 4.663 -0.147 2
1 93 . 1 1 A 15 15 CYS CB C 15 29.534 28.333 1.201 2
1 96 . 1 1 A 15 15 CYS C C 15 177.358 175.743 1.615 2
1 97 . 1 1 A 16 16 LYS N N 16 117.311 127.729 -10.418 2
1 98 . 1 1 A 16 16 LYS H H 16 9.330 8.808 0.522 2
1 99 . 1 1 A 16 16 LYS CA C 16 58.072 57.162 0.910 2
1 100 . 1 1 A 16 16 LYS HA H 16 4.136 4.342 -0.206 2
1 101 . 1 1 A 16 16 LYS CB C 16 31.984 32.241 -0.257 2
1 113 . 1 1 A 16 16 LYS C C 16 177.050 177.521 -0.471 2
1 114 . 1 1 A 17 17 GLU N N 17 119.733 118.683 1.049 2
1 115 . 1 1 A 17 17 GLU H H 17 8.535 7.982 0.553 2
1 116 . 1 1 A 17 17 GLU CA C 17 58.258 57.543 0.715 2
1 117 . 1 1 A 17 17 GLU HA H 17 4.129 4.296 -0.167 2
1 118 . 1 1 A 17 17 GLU CB C 17 29.273 30.873 -1.600 2
1 124 . 1 1 A 17 17 GLU C C 17 177.315 177.862 -0.547 2
1 125 . 1 1 A 18 18 CYS N N 18 129.046 115.040 14.006 2
1 126 . 1 1 A 18 18 CYS H H 18 7.834 7.962 -0.128 2
1 127 . 1 1 A 18 18 CYS CA C 18 58.321 59.463 -1.142 2
1 128 . 1 1 A 18 18 CYS HA H 18 5.122 4.715 0.407 2
1 129 . 1 1 A 18 18 CYS CB C 18 32.639 30.292 2.347 2
1 132 . 1 1 A 18 18 CYS C C 18 176.226 175.543 0.683 2
1 133 . 1 1 A 19 19 GLY N N 19 113.826 109.983 3.843 2
1 134 . 1 1 A 19 19 GLY H H 19 8.242 8.452 -0.210 2
1 135 . 1 1 A 19 19 GLY CA C 19 46.088 46.080 0.008 2
1 136 . 1 1 A 19 19 GLY HA2 H 19 4.179 4.012 0.167 2
1 137 . 1 1 A 19 19 GLY HA3 H 19 3.816 4.020 -0.204 2
1 138 . 1 1 A 19 19 GLY C C 19 173.827 173.898 -0.071 2
1 139 . 1 1 A 20 20 LYS N N 20 122.964 120.347 2.617 2
1 140 . 1 1 A 20 20 LYS H H 20 7.922 7.712 0.210 2
1 141 . 1 1 A 20 20 LYS CA C 20 58.100 55.011 3.089 2
1 142 . 1 1 A 20 20 LYS HA H 20 3.891 4.789 -0.898 2
1 143 . 1 1 A 20 20 LYS CB C 20 33.635 35.346 -1.711 2
1 155 . 1 1 A 20 20 LYS C C 20 173.610 174.429 -0.819 2
1 156 . 1 1 A 21 21 ALA N N 21 123.854 128.776 -4.922 2
1 157 . 1 1 A 21 21 ALA H H 21 7.723 8.714 -0.991 2
1 158 . 1 1 A 21 21 ALA CA C 21 50.412 50.338 0.074 2
1 159 . 1 1 A 21 21 ALA HA H 21 5.067 5.602 -0.535 2
1 160 . 1 1 A 21 21 ALA CB C 21 22.154 21.479 0.675 2
1 164 . 1 1 A 21 21 ALA C C 21 176.234 176.270 -0.036 2
1 165 . 1 1 A 22 22 PHE N N 22 116.521 118.951 -2.430 2
1 166 . 1 1 A 22 22 PHE H H 22 8.639 8.713 -0.074 2
1 167 . 1 1 A 22 22 PHE CA C 22 57.304 56.659 0.645 2
1 168 . 1 1 A 22 22 PHE HA H 22 4.745 4.926 -0.181 2
1 169 . 1 1 A 22 22 PHE CB C 22 44.191 42.217 1.974 2
1 182 . 1 1 A 22 22 PHE C C 22 175.366 176.036 -0.670 2
1 183 . 1 1 A 23 23 SER N N 23 115.521 118.181 -2.660 2
1 184 . 1 1 A 23 23 SER H H 23 9.661 8.930 0.731 2
1 185 . 1 1 A 23 23 SER CA C 23 59.967 61.245 -1.278 2
1 186 . 1 1 A 23 23 SER HA H 23 4.679 4.398 0.281 2
1 187 . 1 1 A 23 23 SER CB C 23 64.445 63.163 1.282 2
1 190 . 1 1 A 23 23 SER C C 23 174.027 174.473 -0.446 2
1 191 . 1 1 A 24 24 GLN N N 24 115.852 119.174 -3.322 2
1 192 . 1 1 A 24 24 GLN H H 24 7.218 8.004 -0.786 2
1 193 . 1 1 A 24 24 GLN CA C 24 53.982 54.387 -0.405 2
1 194 . 1 1 A 24 24 GLN HA H 24 4.834 4.722 0.112 2
1 195 . 1 1 A 24 24 GLN CB C 24 32.152 31.058 1.094 2
1 204 . 1 1 A 24 24 GLN C C 24 176.620 176.101 0.519 2
1 205 . 1 1 A 25 25 THR CA C 25 65.709 65.699 0.010 2
1 206 . 1 1 A 25 25 THR HA H 25 3.211 3.449 -0.238 2
1 207 . 1 1 A 25 25 THR CB C 25 67.811 68.259 -0.448 2
1 213 . 1 1 A 25 25 THR C C 25 176.919 175.995 0.924 2
1 214 . 1 1 A 26 26 THR N N 26 112.897 115.629 -2.732 2
1 215 . 1 1 A 26 26 THR H H 26 7.831 8.094 -0.263 2
1 216 . 1 1 A 26 26 THR CA C 26 65.080 65.358 -0.278 2
1 217 . 1 1 A 26 26 THR HA H 26 3.757 3.941 -0.184 2
1 218 . 1 1 A 26 26 THR CB C 26 68.011 68.575 -0.564 2
1 224 . 1 1 A 26 26 THR C C 26 176.443 176.693 -0.250 2
1 225 . 1 1 A 27 27 HIS N N 27 119.551 119.901 -0.350 2
1 226 . 1 1 A 27 27 HIS H H 27 6.604 7.881 -1.277 2
1 227 . 1 1 A 27 27 HIS CA C 27 56.982 59.581 -2.599 2
1 228 . 1 1 A 27 27 HIS HA H 27 4.367 4.182 0.185 2
1 229 . 1 1 A 27 27 HIS CB C 27 31.824 29.895 1.929 2
1 236 . 1 1 A 27 27 HIS C C 27 178.059 177.071 0.988 2
1 237 . 1 1 A 28 28 LEU N N 28 121.872 120.002 1.870 2
1 238 . 1 1 A 28 28 LEU H H 28 6.995 7.726 -0.730 2
1 239 . 1 1 A 28 28 LEU CA C 28 57.919 57.445 0.474 2
1 240 . 1 1 A 28 28 LEU HA H 28 3.210 3.056 0.154 2
1 241 . 1 1 A 28 28 LEU CB C 28 40.630 41.767 -1.137 2
1 254 . 1 1 A 28 28 LEU C C 28 177.447 178.412 -0.965 2
1 255 . 1 1 A 29 29 ILE N N 29 119.734 119.699 0.035 2
1 256 . 1 1 A 29 29 ILE H H 29 8.121 7.838 0.283 2
1 257 . 1 1 A 29 29 ILE CA C 29 64.592 65.063 -0.471 2
1 258 . 1 1 A 29 29 ILE HA H 29 3.681 3.552 0.129 2
1 259 . 1 1 A 29 29 ILE CB C 29 37.668 37.520 0.148 2
1 272 . 1 1 A 29 29 ILE C C 29 179.288 177.954 1.334 2
1 273 . 1 1 A 30 30 GLN N N 30 117.944 118.727 -0.783 2
1 274 . 1 1 A 30 30 GLN H H 30 7.660 7.910 -0.250 2
1 275 . 1 1 A 30 30 GLN CA C 30 58.702 58.659 0.043 2
1 276 . 1 1 A 30 30 GLN HA H 30 3.893 3.988 -0.095 2
1 277 . 1 1 A 30 30 GLN CB C 30 28.308 28.549 -0.241 2
1 286 . 1 1 A 30 30 GLN C C 30 178.753 178.121 0.632 2
1 287 . 1 1 A 31 31 HIS N N 31 118.960 120.232 -1.272 2
1 288 . 1 1 A 31 31 HIS H H 31 7.639 7.862 -0.223 2
1 289 . 1 1 A 31 31 HIS CA C 31 58.828 59.853 -1.025 2
1 290 . 1 1 A 31 31 HIS HA H 31 4.183 4.179 0.004 2
1 291 . 1 1 A 31 31 HIS CB C 31 28.483 29.515 -1.032 2
1 298 . 1 1 A 31 31 HIS C C 31 175.999 177.042 -1.043 2
1 299 . 1 1 A 32 32 GLN N N 32 115.694 117.798 -2.104 2
1 300 . 1 1 A 32 32 GLN H H 32 8.201 8.099 0.102 2
1 301 . 1 1 A 32 32 GLN CA C 32 59.179 58.969 0.210 2
1 302 . 1 1 A 32 32 GLN HA H 32 3.596 3.926 -0.330 2
1 303 . 1 1 A 32 32 GLN CB C 32 28.048 28.350 -0.302 2
1 312 . 1 1 A 32 32 GLN C C 32 177.337 178.487 -1.150 2
1 313 . 1 1 A 33 33 ARG N N 33 117.574 120.213 -2.639 2
1 314 . 1 1 A 33 33 ARG H H 33 7.079 7.961 -0.882 2
1 315 . 1 1 A 33 33 ARG CA C 33 58.431 58.959 -0.528 2
1 316 . 1 1 A 33 33 ARG HA H 33 4.090 4.068 0.022 2
1 317 . 1 1 A 33 33 ARG CB C 33 29.971 29.820 0.151 2
1 325 . 1 1 A 33 33 ARG C C 33 178.500 178.877 -0.377 2
1 326 . 1 1 A 34 34 VAL N N 34 116.091 116.768 -0.677 2
1 327 . 1 1 A 34 34 VAL H H 34 7.860 7.761 0.099 2
1 328 . 1 1 A 34 34 VAL CA C 34 63.986 64.858 -0.872 2
1 329 . 1 1 A 34 34 VAL HA H 34 3.853 3.769 0.084 2
1 330 . 1 1 A 34 34 VAL CB C 34 31.100 31.105 -0.005 2
1 340 . 1 1 A 34 34 VAL C C 34 177.255 176.736 0.519 2
1 341 . 1 1 A 35 35 HIS N N 35 117.210 119.676 -2.466 2
1 342 . 1 1 A 35 35 HIS H H 35 7.164 7.802 -0.638 2
1 343 . 1 1 A 35 35 HIS CA C 35 55.166 57.176 -2.010 2
1 344 . 1 1 A 35 35 HIS HA H 35 4.811 4.566 0.245 2
1 345 . 1 1 A 35 35 HIS CB C 35 28.575 30.826 -2.251 2
1 352 . 1 1 A 35 35 HIS C C 35 175.753 175.790 -0.037 2
1 353 . 1 1 A 36 36 THR N N 36 111.834 112.093 -0.259 2
1 354 . 1 1 A 36 36 THR H H 36 7.736 7.765 -0.029 2
1 355 . 1 1 A 36 36 THR CA C 36 62.474 61.865 0.609 2
1 356 . 1 1 A 36 36 THR HA H 36 4.296 4.411 -0.115 2
1 357 . 1 1 A 36 36 THR CB C 36 69.785 69.303 0.482 2
1 363 . 1 1 A 36 36 THR C C 36 175.464 174.873 0.591 2
1 364 . 1 1 A 37 37 GLY N N 37 110.633 110.817 -0.184 2
1 365 . 1 1 A 37 37 GLY H H 37 8.203 7.925 0.278 2
1 366 . 1 1 A 37 37 GLY CA C 37 45.294 45.680 -0.386 2
1 367 . 1 1 A 37 37 GLY HA2 H 37 3.963 4.027 -0.064 2
1 368 . 1 1 A 37 37 GLY HA3 H 37 3.898 4.033 -0.135 2
1 369 . 1 1 A 37 37 GLY C C 37 174.023 173.602 0.421 2
1 370 . 1 1 A 38 38 GLU N N 38 120.541 121.398 -0.857 2
1 371 . 1 1 A 38 38 GLU H H 38 8.056 8.268 -0.212 2
1 372 . 1 1 A 38 38 GLU CA C 38 56.376 55.735 0.641 2
1 373 . 1 1 A 38 38 GLU HA H 38 4.185 4.567 -0.382 2
1 374 . 1 1 A 38 38 GLU CB C 38 30.483 30.447 0.036 2
1 380 . 1 1 A 38 38 GLU C C 38 176.222 175.460 0.762 2
1 381 . 1 1 A 39 39 LYS N N 39 123.877 123.360 0.517 2
1 382 . 1 1 A 39 39 LYS H H 39 8.382 8.269 0.113 2
1 383 . 1 1 A 39 39 LYS CA C 39 54.071 53.652 0.419 2
1 384 . 1 1 A 39 39 LYS HA H 39 4.545 4.736 -0.191 2
1 385 . 1 1 A 39 39 LYS CB C 39 32.423 33.910 -1.487 2
1 396 . 1 1 A 39 39 LYS C C 39 174.477 175.400 -0.923 2
1 397 . 1 1 A 40 40 PRO CA C 40 63.142 63.509 -0.367 2
1 398 . 1 1 A 40 40 PRO HA H 40 4.399 4.544 -0.145 2
1 399 . 1 1 A 40 40 PRO CB C 40 32.100 31.670 0.430 2
1 408 . 1 1 A 40 40 PRO C C 40 176.965 176.298 0.667 2
1 409 . 1 1 A 41 41 SER N N 41 116.545 115.588 0.957 2
1 410 . 1 1 A 41 41 SER H H 41 8.456 8.119 0.337 2
1 411 . 1 1 A 41 41 SER CA C 41 58.303 58.329 -0.026 2
1 412 . 1 1 A 41 41 SER HA H 41 4.418 4.615 -0.197 2
1 413 . 1 1 A 41 41 SER CB C 41 64.033 64.242 -0.208 2
1 416 . 1 1 A 41 41 SER C C 41 174.604 174.300 0.304 2
1 417 . 1 1 A 42 42 GLY CA C 42 44.595 45.367 -0.772 2
1 418 . 1 1 A 42 42 GLY HA2 H 42 4.043 4.122 -0.079 2
1 419 . 1 1 A 42 42 GLY HA3 H 42 4.102 4.125 -0.023 2
1 420 . 1 1 A 43 43 PRO CA C 43 63.183 63.763 -0.580 2
1 421 . 1 1 A 43 43 PRO HA H 43 4.409 4.524 -0.115 2
1 422 . 1 1 A 43 43 PRO CB C 43 32.160 32.082 0.078 2
1 431 . 1 1 A 45 45 SER CA C 45 58.358 58.895 -0.537 2
1 432 . 1 1 A 45 45 SER HA H 45 4.458 4.550 -0.092 2
1 433 . 1 1 A 45 45 SER CB C 45 64.035 64.326 -0.291 2
1 435 . 1 1 A 45 45 SER C C 45 173.906 174.686 -0.780 2
stop_
save_