data_10180_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10180
_Entry.PDB_ID 2EM7
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 8 8 THR N N 8 112.844 115.947 -3.103 1
1 2 . 1 1 1 A 8 8 THR H H 8 8.151 8.348 -0.197 1
1 3 . 1 1 1 A 8 8 THR CA C 8 61.903 61.467 0.436 1
1 4 . 1 1 1 A 8 8 THR HA H 8 4.363 4.455 -0.092 1
1 5 . 1 1 1 A 8 8 THR CB C 8 69.727 69.956 -0.229 1
1 11 . 1 1 1 A 8 8 THR C C 8 175.240 174.507 0.733 1
1 12 . 1 1 1 A 9 9 GLY N N 9 111.083 107.070 4.013 1
1 13 . 1 1 1 A 9 9 GLY H H 9 8.440 8.245 0.195 1
1 14 . 1 1 1 A 9 9 GLY CA C 9 45.249 45.105 0.144 1
1 15 . 1 1 1 A 9 9 GLY HA3 H 9 3.973 3.992 -0.019 1
1 16 . 1 1 1 A 9 9 GLY C C 9 174.005 172.444 1.561 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 3.925 3.992 -0.067 1
1 18 . 1 1 1 A 10 10 GLU N N 10 120.520 120.467 0.053 1
1 19 . 1 1 1 A 10 10 GLU H H 10 8.187 9.084 -0.897 1
1 20 . 1 1 1 A 10 10 GLU CA C 10 56.547 54.718 1.829 1
1 21 . 1 1 1 A 10 10 GLU HA H 10 4.204 4.958 -0.754 1
1 22 . 1 1 1 A 10 10 GLU CB C 10 30.461 32.987 -2.526 1
1 28 . 1 1 1 A 11 11 LYS N N 11 122.559 123.173 -0.614 1
1 29 . 1 1 1 A 11 11 LYS H H 11 8.393 8.497 -0.104 1
1 30 . 1 1 1 A 11 11 LYS CA C 11 53.799 55.129 -1.330 1
1 31 . 1 1 1 A 11 11 LYS HA H 11 4.462 4.232 0.230 1
1 32 . 1 1 1 A 11 11 LYS CB C 11 32.248 31.843 0.405 1
1 44 . 1 1 1 A 12 12 PRO CA C 12 63.975 64.526 -0.551 1
1 45 . 1 1 1 A 12 12 PRO HA H 12 4.191 4.291 -0.100 1
1 46 . 1 1 1 A 12 12 PRO CB C 12 32.032 31.638 0.394 1
1 51 . 1 1 1 A 12 12 PRO C C 12 176.302 175.837 0.465 1
1 55 . 1 1 1 A 13 13 TYR N N 13 117.435 117.755 -0.320 1
1 56 . 1 1 1 A 13 13 TYR H H 13 7.669 7.006 0.663 1
1 57 . 1 1 1 A 13 13 TYR CA C 13 57.269 56.977 0.292 1
1 58 . 1 1 1 A 13 13 TYR HA H 13 4.691 5.358 -0.667 1
1 59 . 1 1 1 A 13 13 TYR CB C 13 38.999 41.160 -2.161 1
1 69 . 1 1 1 A 13 13 TYR C C 13 174.478 174.053 0.425 1
1 71 . 1 1 1 A 14 14 LYS N N 14 123.791 124.751 -0.960 1
1 72 . 1 1 1 A 14 14 LYS H H 14 8.654 9.132 -0.478 1
1 73 . 1 1 1 A 14 14 LYS CA C 14 54.812 54.417 0.395 1
1 74 . 1 1 1 A 14 14 LYS HA H 14 5.127 5.431 -0.304 1
1 75 . 1 1 1 A 14 14 LYS CB C 14 35.391 36.132 -0.741 1
1 82 . 1 1 1 A 14 14 LYS C C 14 175.398 175.442 -0.044 1
1 87 . 1 1 1 A 15 15 CYS N N 15 126.096 124.584 1.512 1
1 88 . 1 1 1 A 15 15 CYS H H 15 9.178 9.327 -0.149 1
1 89 . 1 1 1 A 15 15 CYS CA C 15 59.645 60.400 -0.755 1
1 90 . 1 1 1 A 15 15 CYS HA H 15 4.650 4.433 0.217 1
1 91 . 1 1 1 A 15 15 CYS CB C 15 30.010 28.742 1.268 1
1 93 . 1 1 1 A 15 15 CYS C C 15 177.625 176.511 1.114 1
1 95 . 1 1 1 A 16 16 GLU N N 16 115.168 127.831 -12.663 1
1 96 . 1 1 1 A 16 16 GLU H H 16 9.873 9.041 0.832 1
1 97 . 1 1 1 A 16 16 GLU CA C 16 58.804 56.972 1.832 1
1 98 . 1 1 1 A 16 16 GLU HA H 16 4.169 4.501 -0.332 1
1 99 . 1 1 1 A 16 16 GLU CB C 16 29.630 29.776 -0.146 1
1 103 . 1 1 1 A 16 16 GLU C C 16 176.727 177.711 -0.984 1
1 106 . 1 1 1 A 17 17 GLU N N 17 120.669 119.293 1.376 1
1 107 . 1 1 1 A 17 17 GLU H H 17 8.841 7.897 0.944 1
1 108 . 1 1 1 A 17 17 GLU CA C 17 58.374 58.003 0.371 1
1 109 . 1 1 1 A 17 17 GLU HA H 17 4.246 4.278 -0.032 1
1 110 . 1 1 1 A 17 17 GLU CB C 17 29.475 30.116 -0.641 1
1 114 . 1 1 1 A 17 17 GLU C C 17 177.380 178.051 -0.671 1
1 117 . 1 1 1 A 18 18 CYS N N 18 114.881 114.950 -0.069 1
1 118 . 1 1 1 A 18 18 CYS H H 18 8.097 8.171 -0.074 1
1 119 . 1 1 1 A 18 18 CYS CA C 18 58.406 59.540 -1.134 1
1 120 . 1 1 1 A 18 18 CYS HA H 18 5.201 4.752 0.449 1
1 121 . 1 1 1 A 18 18 CYS CB C 18 32.573 30.249 2.324 1
1 123 . 1 1 1 A 18 18 CYS C C 18 176.431 175.533 0.898 1
1 125 . 1 1 1 A 19 19 GLY N N 19 113.739 110.113 3.626 1
1 126 . 1 1 1 A 19 19 GLY H H 19 8.213 8.278 -0.065 1
1 127 . 1 1 1 A 19 19 GLY CA C 19 46.251 45.661 0.590 1
1 128 . 1 1 1 A 19 19 GLY HA3 H 19 4.264 4.032 0.232 1
1 129 . 1 1 1 A 19 19 GLY C C 19 173.590 174.344 -0.754 1
1 130 . 1 1 1 A 19 19 GLY HA2 H 19 3.805 4.025 -0.220 1
1 131 . 1 1 1 A 20 20 LYS N N 20 123.026 119.443 3.583 1
1 132 . 1 1 1 A 20 20 LYS H H 20 7.945 7.864 0.081 1
1 133 . 1 1 1 A 20 20 LYS CA C 20 58.313 54.761 3.552 1
1 134 . 1 1 1 A 20 20 LYS HA H 20 3.959 4.330 -0.371 1
1 135 . 1 1 1 A 20 20 LYS CB C 20 33.856 33.928 -0.072 1
1 142 . 1 1 1 A 20 20 LYS C C 20 174.525 176.351 -1.826 1
1 147 . 1 1 1 A 21 21 GLY N N 21 108.257 111.369 -3.112 1
1 148 . 1 1 1 A 21 21 GLY H H 21 7.930 8.763 -0.833 1
1 149 . 1 1 1 A 21 21 GLY CA C 21 44.040 45.007 -0.967 1
1 150 . 1 1 1 A 21 21 GLY HA3 H 21 4.917 3.981 0.936 1
1 151 . 1 1 1 A 21 21 GLY C C 21 172.346 172.615 -0.269 1
1 152 . 1 1 1 A 21 21 GLY HA2 H 21 3.302 3.913 -0.611 1
1 153 . 1 1 1 A 22 22 PHE N N 22 117.898 121.730 -3.832 1
1 154 . 1 1 1 A 22 22 PHE H H 22 8.698 8.828 -0.130 1
1 155 . 1 1 1 A 22 22 PHE CA C 22 57.478 56.517 0.961 1
1 156 . 1 1 1 A 22 22 PHE HA H 22 4.736 4.965 -0.229 1
1 157 . 1 1 1 A 22 22 PHE CB C 22 43.762 43.647 0.115 1
1 169 . 1 1 1 A 22 22 PHE C C 22 175.511 175.580 -0.069 1
1 171 . 1 1 1 A 23 23 ILE N N 23 117.272 119.889 -2.617 1
1 172 . 1 1 1 A 23 23 ILE H H 23 9.358 8.829 0.529 1
1 173 . 1 1 1 A 23 23 ILE CA C 23 62.295 62.253 0.042 1
1 174 . 1 1 1 A 23 23 ILE HA H 23 4.392 4.256 0.136 1
1 175 . 1 1 1 A 23 23 ILE CB C 23 39.428 37.823 1.605 1
1 187 . 1 1 1 A 23 23 ILE C C 23 175.245 175.698 -0.453 1
1 189 . 1 1 1 A 24 24 CYS N N 24 112.667 121.826 -9.159 1
1 190 . 1 1 1 A 24 24 CYS H H 24 7.593 8.025 -0.432 1
1 191 . 1 1 1 A 24 24 CYS CA C 24 55.415 57.872 -2.457 1
1 192 . 1 1 1 A 24 24 CYS HA H 24 4.902 4.928 -0.026 1
1 193 . 1 1 1 A 24 24 CYS CB C 24 30.722 30.430 0.292 1
1 195 . 1 1 1 A 24 24 CYS C C 24 173.592 175.330 -1.738 1
1 197 . 1 1 1 A 25 25 ARG N N 25 124.960 126.531 -1.571 1
1 198 . 1 1 1 A 25 25 ARG H H 25 8.413 8.874 -0.461 1
1 199 . 1 1 1 A 25 25 ARG CA C 25 59.380 58.569 0.811 1
1 200 . 1 1 1 A 25 25 ARG HA H 25 3.000 3.881 -0.881 1
1 201 . 1 1 1 A 25 25 ARG CB C 25 29.593 29.146 0.447 1
1 207 . 1 1 1 A 25 25 ARG C C 25 177.723 178.497 -0.774 1
1 211 . 1 1 1 A 26 26 ARG N N 26 119.340 119.672 -0.332 1
1 212 . 1 1 1 A 26 26 ARG H H 26 8.556 7.443 1.113 1
1 213 . 1 1 1 A 26 26 ARG CA C 26 59.426 59.317 0.109 1
1 214 . 1 1 1 A 26 26 ARG HA H 26 3.916 3.908 0.008 1
1 215 . 1 1 1 A 26 26 ARG CB C 26 29.598 29.863 -0.265 1
1 221 . 1 1 1 A 26 26 ARG C C 26 178.094 178.392 -0.298 1
1 225 . 1 1 1 A 27 27 ASP N N 27 119.260 119.457 -0.197 1
1 226 . 1 1 1 A 27 27 ASP H H 27 7.230 8.071 -0.841 1
1 227 . 1 1 1 A 27 27 ASP CA C 27 56.644 57.114 -0.470 1
1 228 . 1 1 1 A 27 27 ASP HA H 27 4.313 4.229 0.084 1
1 229 . 1 1 1 A 27 27 ASP CB C 27 40.265 40.354 -0.089 1
1 231 . 1 1 1 A 27 27 ASP C C 27 178.277 178.438 -0.161 1
1 233 . 1 1 1 A 28 28 LEU N N 28 122.446 121.497 0.949 1
1 234 . 1 1 1 A 28 28 LEU H H 28 6.896 7.708 -0.812 1
1 235 . 1 1 1 A 28 28 LEU CA C 28 57.691 57.890 -0.199 1
1 236 . 1 1 1 A 28 28 LEU HA H 28 3.060 3.285 -0.225 1
1 237 . 1 1 1 A 28 28 LEU CB C 28 40.529 41.700 -1.171 1
1 249 . 1 1 1 A 28 28 LEU C C 28 176.873 177.930 -1.057 1
1 251 . 1 1 1 A 29 29 TYR N N 29 118.891 118.287 0.604 1
1 252 . 1 1 1 A 29 29 TYR H H 29 8.132 8.164 -0.032 1
1 253 . 1 1 1 A 29 29 TYR CA C 29 59.994 60.447 -0.453 1
1 254 . 1 1 1 A 29 29 TYR HA H 29 4.244 4.261 -0.017 1
1 255 . 1 1 1 A 29 29 TYR CB C 29 36.781 38.521 -1.740 1
1 265 . 1 1 1 A 29 29 TYR C C 29 179.157 178.262 0.895 1
1 267 . 1 1 1 A 30 30 THR N N 30 115.895 115.509 0.386 1
1 268 . 1 1 1 A 30 30 THR H H 30 8.209 7.984 0.225 1
1 269 . 1 1 1 A 30 30 THR CA C 30 66.204 66.966 -0.762 1
1 270 . 1 1 1 A 30 30 THR HA H 30 3.916 3.978 -0.062 1
1 271 . 1 1 1 A 30 30 THR CB C 30 68.718 68.608 0.110 1
1 277 . 1 1 1 A 30 30 THR C C 30 176.781 176.264 0.517 1
1 278 . 1 1 1 A 31 31 HIS N N 31 122.097 120.357 1.740 1
1 279 . 1 1 1 A 31 31 HIS H H 31 7.587 8.014 -0.427 1
1 280 . 1 1 1 A 31 31 HIS CA C 31 59.221 59.395 -0.174 1
1 281 . 1 1 1 A 31 31 HIS HA H 31 4.204 4.176 0.028 1
1 282 . 1 1 1 A 31 31 HIS CB C 31 28.238 29.487 -1.249 1
1 288 . 1 1 1 A 31 31 HIS C C 31 176.085 177.327 -1.242 1
1 290 . 1 1 1 A 32 32 HIS N N 32 117.054 119.035 -1.981 1
1 291 . 1 1 1 A 32 32 HIS H H 32 8.430 8.086 0.344 1
1 292 . 1 1 1 A 32 32 HIS CA C 32 59.270 59.243 0.027 1
1 293 . 1 1 1 A 32 32 HIS HA H 32 4.057 4.014 0.043 1
1 294 . 1 1 1 A 32 32 HIS CB C 32 30.135 29.984 0.151 1
1 300 . 1 1 1 A 32 32 HIS C C 32 176.903 177.235 -0.332 1
1 302 . 1 1 1 A 33 33 MET N N 33 115.224 118.089 -2.865 1
1 303 . 1 1 1 A 33 33 MET H H 33 7.167 7.918 -0.751 1
1 304 . 1 1 1 A 33 33 MET CA C 33 57.787 58.315 -0.528 1
1 305 . 1 1 1 A 33 33 MET HA H 33 4.232 3.877 0.355 1
1 306 . 1 1 1 A 33 33 MET CB C 33 32.279 32.472 -0.193 1
1 314 . 1 1 1 A 33 33 MET C C 33 178.493 178.047 0.446 1
1 317 . 1 1 1 A 34 34 VAL N N 34 117.328 116.807 0.521 1
1 318 . 1 1 1 A 34 34 VAL H H 34 8.026 7.654 0.372 1
1 319 . 1 1 1 A 34 34 VAL CA C 34 64.228 64.704 -0.476 1
1 320 . 1 1 1 A 34 34 VAL HA H 34 3.882 3.825 0.057 1
1 321 . 1 1 1 A 34 34 VAL CB C 34 31.061 31.194 -0.133 1
1 331 . 1 1 1 A 34 34 VAL C C 34 177.569 176.379 1.190 1
1 332 . 1 1 1 A 35 35 HIS N N 35 117.001 119.535 -2.534 1
1 333 . 1 1 1 A 35 35 HIS H H 35 7.262 7.414 -0.152 1
1 334 . 1 1 1 A 35 35 HIS CA C 35 55.398 57.871 -2.473 1
1 335 . 1 1 1 A 35 35 HIS HA H 35 4.799 4.423 0.376 1
1 336 . 1 1 1 A 35 35 HIS CB C 35 28.605 31.052 -2.447 1
1 342 . 1 1 1 A 35 35 HIS C C 35 175.891 176.873 -0.982 1
1 344 . 1 1 1 A 36 36 THR N N 36 110.979 111.372 -0.393 1
1 345 . 1 1 1 A 36 36 THR H H 36 7.665 7.607 0.058 1
1 346 . 1 1 1 A 36 36 THR CA C 36 62.565 62.342 0.223 1
1 347 . 1 1 1 A 36 36 THR HA H 36 4.329 4.232 0.097 1
1 348 . 1 1 1 A 36 36 THR CB C 36 69.832 68.855 0.977 1
1 354 . 1 1 1 A 36 36 THR C C 36 175.484 175.224 0.260 1
1 355 . 1 1 1 A 37 37 GLY N N 37 110.523 109.040 1.483 1
1 356 . 1 1 1 A 37 37 GLY H H 37 8.180 7.842 0.338 1
1 357 . 1 1 1 A 37 37 GLY CA C 37 45.329 45.631 -0.302 1
1 358 . 1 1 1 A 37 37 GLY HA3 H 37 4.019 4.070 -0.051 1
1 359 . 1 1 1 A 37 37 GLY C C 37 174.008 173.930 0.078 1
1 360 . 1 1 1 A 37 37 GLY HA2 H 37 3.962 4.061 -0.099 1
1 361 . 1 1 1 A 38 38 GLU N N 38 120.488 120.443 0.045 1
1 362 . 1 1 1 A 38 38 GLU H H 38 8.069 7.723 0.346 1
1 363 . 1 1 1 A 38 38 GLU CA C 38 56.503 57.374 -0.871 1
1 364 . 1 1 1 A 38 38 GLU HA H 38 4.246 4.260 -0.014 1
1 365 . 1 1 1 A 38 38 GLU CB C 38 30.654 30.752 -0.098 1
1 371 . 1 1 1 A 39 39 LYS N N 39 123.332 119.110 4.222 1
1 372 . 1 1 1 A 39 39 LYS H H 39 8.335 8.724 -0.389 1
1 373 . 1 1 1 A 39 39 LYS CA C 39 53.992 53.262 0.730 1
1 374 . 1 1 1 A 39 39 LYS HA H 39 4.632 4.812 -0.180 1
1 375 . 1 1 1 A 39 39 LYS CB C 39 32.631 32.568 0.063 1
1 387 . 1 1 1 A 40 40 PRO CA C 40 63.250 64.205 -0.955 1
1 388 . 1 1 1 A 40 40 PRO HA H 40 4.474 4.563 -0.089 1
1 389 . 1 1 1 A 40 40 PRO CB C 40 32.174 31.627 0.547 1
1 398 . 1 1 1 A 42 42 GLY CA C 42 44.688 45.312 -0.624 1
1 399 . 1 1 1 A 42 42 GLY HA3 H 42 4.109 4.167 -0.058 1
1 400 . 1 1 1 A 42 42 GLY HA2 H 42 4.169 4.167 0.002 1
1 401 . 1 1 1 A 43 43 PRO CA C 43 63.207 63.961 -0.754 1
1 402 . 1 1 1 A 43 43 PRO HA H 43 4.465 4.426 0.039 1
1 403 . 1 1 1 A 43 43 PRO CB C 43 32.213 32.047 0.166 1
1 412 . 1 1 1 A 45 45 SER CA C 45 58.377 59.016 -0.639 1
1 413 . 1 1 1 A 45 45 SER HA H 45 4.447 4.200 0.247 1
1 414 . 1 1 1 A 45 45 SER CB C 45 64.066 60.969 3.097 1
1 415 . 1 1 1 A 45 45 SER C C 45 173.889 174.190 -0.301 1
1 1 . 2 1 1 A 8 8 THR N N 8 112.844 119.488 -6.644 1
1 2 . 2 1 1 A 8 8 THR H H 8 8.151 8.866 -0.715 1
1 3 . 2 1 1 A 8 8 THR CA C 8 61.903 59.337 2.566 1
1 4 . 2 1 1 A 8 8 THR HA H 8 4.363 5.276 -0.913 1
1 5 . 2 1 1 A 8 8 THR CB C 8 69.727 72.268 -2.541 1
1 11 . 2 1 1 A 8 8 THR C C 8 175.240 172.948 2.292 1
1 12 . 2 1 1 A 9 9 GLY N N 9 111.083 110.819 0.264 1
1 13 . 2 1 1 A 9 9 GLY H H 9 8.440 8.427 0.013 1
1 14 . 2 1 1 A 9 9 GLY CA C 9 45.249 45.737 -0.488 1
1 15 . 2 1 1 A 9 9 GLY HA3 H 9 3.973 4.116 -0.143 1
1 16 . 2 1 1 A 9 9 GLY C C 9 174.005 172.549 1.456 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 3.925 4.106 -0.181 1
1 18 . 2 1 1 A 10 10 GLU N N 10 120.520 120.534 -0.014 1
1 19 . 2 1 1 A 10 10 GLU H H 10 8.187 8.826 -0.639 1
1 20 . 2 1 1 A 10 10 GLU CA C 10 56.547 55.320 1.227 1
1 21 . 2 1 1 A 10 10 GLU HA H 10 4.204 5.017 -0.813 1
1 22 . 2 1 1 A 10 10 GLU CB C 10 30.461 31.102 -0.641 1
1 28 . 2 1 1 A 11 11 LYS N N 11 122.559 126.389 -3.830 1
1 29 . 2 1 1 A 11 11 LYS H H 11 8.393 8.605 -0.212 1
1 30 . 2 1 1 A 11 11 LYS CA C 11 53.799 53.426 0.373 1
1 31 . 2 1 1 A 11 11 LYS HA H 11 4.462 4.674 -0.212 1
1 32 . 2 1 1 A 11 11 LYS CB C 11 32.248 32.519 -0.271 1
1 44 . 2 1 1 A 12 12 PRO CA C 12 63.975 64.661 -0.686 1
1 45 . 2 1 1 A 12 12 PRO HA H 12 4.191 4.304 -0.113 1
1 46 . 2 1 1 A 12 12 PRO CB C 12 32.032 31.896 0.136 1
1 51 . 2 1 1 A 12 12 PRO C C 12 176.302 175.676 0.626 1
1 55 . 2 1 1 A 13 13 TYR N N 13 117.435 118.373 -0.938 1
1 56 . 2 1 1 A 13 13 TYR H H 13 7.669 7.162 0.507 1
1 57 . 2 1 1 A 13 13 TYR CA C 13 57.269 57.181 0.088 1
1 58 . 2 1 1 A 13 13 TYR HA H 13 4.691 5.168 -0.477 1
1 59 . 2 1 1 A 13 13 TYR CB C 13 38.999 41.241 -2.242 1
1 69 . 2 1 1 A 13 13 TYR C C 13 174.478 174.586 -0.108 1
1 71 . 2 1 1 A 14 14 LYS N N 14 123.791 121.530 2.261 1
1 72 . 2 1 1 A 14 14 LYS H H 14 8.654 8.966 -0.312 1
1 73 . 2 1 1 A 14 14 LYS CA C 14 54.812 54.497 0.315 1
1 74 . 2 1 1 A 14 14 LYS HA H 14 5.127 5.426 -0.299 1
1 75 . 2 1 1 A 14 14 LYS CB C 14 35.391 36.181 -0.790 1
1 82 . 2 1 1 A 14 14 LYS C C 14 175.398 174.550 0.848 1
1 87 . 2 1 1 A 15 15 CYS N N 15 126.096 123.819 2.277 1
1 88 . 2 1 1 A 15 15 CYS H H 15 9.178 9.518 -0.340 1
1 89 . 2 1 1 A 15 15 CYS CA C 15 59.645 59.043 0.602 1
1 90 . 2 1 1 A 15 15 CYS HA H 15 4.650 4.729 -0.079 1
1 91 . 2 1 1 A 15 15 CYS CB C 15 30.010 29.320 0.690 1
1 93 . 2 1 1 A 15 15 CYS C C 15 177.625 174.815 2.810 1
1 95 . 2 1 1 A 16 16 GLU N N 16 115.168 124.422 -9.254 1
1 96 . 2 1 1 A 16 16 GLU H H 16 9.873 8.987 0.886 1
1 97 . 2 1 1 A 16 16 GLU CA C 16 58.804 56.808 1.996 1
1 98 . 2 1 1 A 16 16 GLU HA H 16 4.169 4.642 -0.473 1
1 99 . 2 1 1 A 16 16 GLU CB C 16 29.630 30.643 -1.013 1
1 103 . 2 1 1 A 16 16 GLU C C 16 176.727 178.130 -1.403 1
1 106 . 2 1 1 A 17 17 GLU N N 17 120.669 120.409 0.260 1
1 107 . 2 1 1 A 17 17 GLU H H 17 8.841 7.787 1.054 1
1 108 . 2 1 1 A 17 17 GLU CA C 17 58.374 58.791 -0.417 1
1 109 . 2 1 1 A 17 17 GLU HA H 17 4.246 3.969 0.277 1
1 110 . 2 1 1 A 17 17 GLU CB C 17 29.475 29.088 0.387 1
1 114 . 2 1 1 A 17 17 GLU C C 17 177.380 178.022 -0.642 1
1 117 . 2 1 1 A 18 18 CYS N N 18 114.881 114.876 0.005 1
1 118 . 2 1 1 A 18 18 CYS H H 18 8.097 7.918 0.179 1
1 119 . 2 1 1 A 18 18 CYS CA C 18 58.406 59.344 -0.938 1
1 120 . 2 1 1 A 18 18 CYS HA H 18 5.201 4.750 0.451 1
1 121 . 2 1 1 A 18 18 CYS CB C 18 32.573 30.493 2.080 1
1 123 . 2 1 1 A 18 18 CYS C C 18 176.431 175.860 0.571 1
1 125 . 2 1 1 A 19 19 GLY N N 19 113.739 110.357 3.382 1
1 126 . 2 1 1 A 19 19 GLY H H 19 8.213 8.278 -0.065 1
1 127 . 2 1 1 A 19 19 GLY CA C 19 46.251 45.165 1.086 1
1 128 . 2 1 1 A 19 19 GLY HA3 H 19 4.264 4.051 0.213 1
1 129 . 2 1 1 A 19 19 GLY C C 19 173.590 174.679 -1.089 1
1 130 . 2 1 1 A 19 19 GLY HA2 H 19 3.805 4.034 -0.229 1
1 131 . 2 1 1 A 20 20 LYS N N 20 123.026 120.624 2.402 1
1 132 . 2 1 1 A 20 20 LYS H H 20 7.945 7.526 0.419 1
1 133 . 2 1 1 A 20 20 LYS CA C 20 58.313 56.782 1.531 1
1 134 . 2 1 1 A 20 20 LYS HA H 20 3.959 4.292 -0.333 1
1 135 . 2 1 1 A 20 20 LYS CB C 20 33.856 34.105 -0.249 1
1 142 . 2 1 1 A 20 20 LYS C C 20 174.525 175.798 -1.273 1
1 147 . 2 1 1 A 21 21 GLY N N 21 108.257 107.757 0.500 1
1 148 . 2 1 1 A 21 21 GLY H H 21 7.930 8.165 -0.235 1
1 149 . 2 1 1 A 21 21 GLY CA C 21 44.040 43.988 0.052 1
1 150 . 2 1 1 A 21 21 GLY HA3 H 21 4.917 4.421 0.496 1
1 151 . 2 1 1 A 21 21 GLY C C 21 172.346 171.848 0.498 1
1 152 . 2 1 1 A 21 21 GLY HA2 H 21 3.302 4.282 -0.980 1
1 153 . 2 1 1 A 22 22 PHE N N 22 117.898 121.067 -3.169 1
1 154 . 2 1 1 A 22 22 PHE H H 22 8.698 8.656 0.042 1
1 155 . 2 1 1 A 22 22 PHE CA C 22 57.478 56.329 1.149 1
1 156 . 2 1 1 A 22 22 PHE HA H 22 4.736 4.937 -0.201 1
1 157 . 2 1 1 A 22 22 PHE CB C 22 43.762 42.909 0.853 1
1 169 . 2 1 1 A 22 22 PHE C C 22 175.511 176.164 -0.653 1
1 171 . 2 1 1 A 23 23 ILE N N 23 117.272 121.798 -4.526 1
1 172 . 2 1 1 A 23 23 ILE H H 23 9.358 8.819 0.539 1
1 173 . 2 1 1 A 23 23 ILE CA C 23 62.295 64.034 -1.739 1
1 174 . 2 1 1 A 23 23 ILE HA H 23 4.392 4.072 0.320 1
1 175 . 2 1 1 A 23 23 ILE CB C 23 39.428 38.108 1.320 1
1 187 . 2 1 1 A 23 23 ILE C C 23 175.245 176.011 -0.766 1
1 189 . 2 1 1 A 24 24 CYS N N 24 112.667 119.782 -7.115 1
1 190 . 2 1 1 A 24 24 CYS H H 24 7.593 7.930 -0.337 1
1 191 . 2 1 1 A 24 24 CYS CA C 24 55.415 57.869 -2.454 1
1 192 . 2 1 1 A 24 24 CYS HA H 24 4.902 5.151 -0.249 1
1 193 . 2 1 1 A 24 24 CYS CB C 24 30.722 32.619 -1.897 1
1 195 . 2 1 1 A 24 24 CYS C C 24 173.592 174.020 -0.428 1
1 197 . 2 1 1 A 25 25 ARG N N 25 124.960 123.890 1.070 1
1 198 . 2 1 1 A 25 25 ARG H H 25 8.413 8.766 -0.353 1
1 199 . 2 1 1 A 25 25 ARG CA C 25 59.380 59.172 0.208 1
1 200 . 2 1 1 A 25 25 ARG HA H 25 3.000 3.246 -0.246 1
1 201 . 2 1 1 A 25 25 ARG CB C 25 29.593 30.333 -0.740 1
1 207 . 2 1 1 A 25 25 ARG C C 25 177.723 178.275 -0.552 1
1 211 . 2 1 1 A 26 26 ARG N N 26 119.340 119.371 -0.031 1
1 212 . 2 1 1 A 26 26 ARG H H 26 8.556 7.990 0.566 1
1 213 . 2 1 1 A 26 26 ARG CA C 26 59.426 59.587 -0.161 1
1 214 . 2 1 1 A 26 26 ARG HA H 26 3.916 4.042 -0.126 1
1 215 . 2 1 1 A 26 26 ARG CB C 26 29.598 30.099 -0.501 1
1 221 . 2 1 1 A 26 26 ARG C C 26 178.094 178.420 -0.326 1
1 225 . 2 1 1 A 27 27 ASP N N 27 119.260 119.929 -0.669 1
1 226 . 2 1 1 A 27 27 ASP H H 27 7.230 8.145 -0.915 1
1 227 . 2 1 1 A 27 27 ASP CA C 27 56.644 57.316 -0.672 1
1 228 . 2 1 1 A 27 27 ASP HA H 27 4.313 4.366 -0.053 1
1 229 . 2 1 1 A 27 27 ASP CB C 27 40.265 41.384 -1.119 1
1 231 . 2 1 1 A 27 27 ASP C C 27 178.277 178.064 0.213 1
1 233 . 2 1 1 A 28 28 LEU N N 28 122.446 120.143 2.303 1
1 234 . 2 1 1 A 28 28 LEU H H 28 6.896 7.693 -0.797 1
1 235 . 2 1 1 A 28 28 LEU CA C 28 57.691 57.615 0.076 1
1 236 . 2 1 1 A 28 28 LEU HA H 28 3.060 2.653 0.407 1
1 237 . 2 1 1 A 28 28 LEU CB C 28 40.529 41.441 -0.912 1
1 249 . 2 1 1 A 28 28 LEU C C 28 176.873 177.777 -0.904 1
1 251 . 2 1 1 A 29 29 TYR N N 29 118.891 118.439 0.452 1
1 252 . 2 1 1 A 29 29 TYR H H 29 8.132 7.845 0.287 1
1 253 . 2 1 1 A 29 29 TYR CA C 29 59.994 60.322 -0.328 1
1 254 . 2 1 1 A 29 29 TYR HA H 29 4.244 4.183 0.061 1
1 255 . 2 1 1 A 29 29 TYR CB C 29 36.781 38.194 -1.413 1
1 265 . 2 1 1 A 29 29 TYR C C 29 179.157 178.311 0.846 1
1 267 . 2 1 1 A 30 30 THR N N 30 115.895 115.338 0.557 1
1 268 . 2 1 1 A 30 30 THR H H 30 8.209 7.796 0.413 1
1 269 . 2 1 1 A 30 30 THR CA C 30 66.204 67.191 -0.987 1
1 270 . 2 1 1 A 30 30 THR HA H 30 3.916 3.958 -0.042 1
1 271 . 2 1 1 A 30 30 THR CB C 30 68.718 68.436 0.282 1
1 277 . 2 1 1 A 30 30 THR C C 30 176.781 176.341 0.440 1
1 278 . 2 1 1 A 31 31 HIS N N 31 122.097 120.545 1.552 1
1 279 . 2 1 1 A 31 31 HIS H H 31 7.587 8.055 -0.468 1
1 280 . 2 1 1 A 31 31 HIS CA C 31 59.221 59.718 -0.497 1
1 281 . 2 1 1 A 31 31 HIS HA H 31 4.204 4.208 -0.004 1
1 282 . 2 1 1 A 31 31 HIS CB C 31 28.238 29.677 -1.439 1
1 288 . 2 1 1 A 31 31 HIS C C 31 176.085 177.180 -1.095 1
1 290 . 2 1 1 A 32 32 HIS N N 32 117.054 119.295 -2.241 1
1 291 . 2 1 1 A 32 32 HIS H H 32 8.430 7.937 0.493 1
1 292 . 2 1 1 A 32 32 HIS CA C 32 59.270 59.778 -0.508 1
1 293 . 2 1 1 A 32 32 HIS HA H 32 4.057 3.957 0.100 1
1 294 . 2 1 1 A 32 32 HIS CB C 32 30.135 30.138 -0.003 1
1 300 . 2 1 1 A 32 32 HIS C C 32 176.903 177.300 -0.397 1
1 302 . 2 1 1 A 33 33 MET N N 33 115.224 118.086 -2.862 1
1 303 . 2 1 1 A 33 33 MET H H 33 7.167 8.491 -1.324 1
1 304 . 2 1 1 A 33 33 MET CA C 33 57.787 58.350 -0.563 1
1 305 . 2 1 1 A 33 33 MET HA H 33 4.232 3.934 0.298 1
1 306 . 2 1 1 A 33 33 MET CB C 33 32.279 32.637 -0.358 1
1 314 . 2 1 1 A 33 33 MET C C 33 178.493 178.220 0.273 1
1 317 . 2 1 1 A 34 34 VAL N N 34 117.328 116.438 0.890 1
1 318 . 2 1 1 A 34 34 VAL H H 34 8.026 7.995 0.031 1
1 319 . 2 1 1 A 34 34 VAL CA C 34 64.228 64.523 -0.295 1
1 320 . 2 1 1 A 34 34 VAL HA H 34 3.882 3.920 -0.038 1
1 321 . 2 1 1 A 34 34 VAL CB C 34 31.061 31.423 -0.362 1
1 331 . 2 1 1 A 34 34 VAL C C 34 177.569 176.395 1.174 1
1 332 . 2 1 1 A 35 35 HIS N N 35 117.001 120.186 -3.185 1
1 333 . 2 1 1 A 35 35 HIS H H 35 7.262 7.551 -0.289 1
1 334 . 2 1 1 A 35 35 HIS CA C 35 55.398 57.826 -2.428 1
1 335 . 2 1 1 A 35 35 HIS HA H 35 4.799 4.444 0.355 1
1 336 . 2 1 1 A 35 35 HIS CB C 35 28.605 30.935 -2.330 1
1 342 . 2 1 1 A 35 35 HIS C C 35 175.891 177.049 -1.158 1
1 344 . 2 1 1 A 36 36 THR N N 36 110.979 107.986 2.993 1
1 345 . 2 1 1 A 36 36 THR H H 36 7.665 7.666 -0.001 1
1 346 . 2 1 1 A 36 36 THR CA C 36 62.565 62.597 -0.032 1
1 347 . 2 1 1 A 36 36 THR HA H 36 4.329 4.105 0.224 1
1 348 . 2 1 1 A 36 36 THR CB C 36 69.832 70.171 -0.339 1
1 354 . 2 1 1 A 36 36 THR C C 36 175.484 175.567 -0.083 1
1 355 . 2 1 1 A 37 37 GLY N N 37 110.523 111.100 -0.577 1
1 356 . 2 1 1 A 37 37 GLY H H 37 8.180 7.959 0.221 1
1 357 . 2 1 1 A 37 37 GLY CA C 37 45.329 46.442 -1.113 1
1 358 . 2 1 1 A 37 37 GLY HA3 H 37 4.019 3.944 0.075 1
1 359 . 2 1 1 A 37 37 GLY C C 37 174.008 174.684 -0.676 1
1 360 . 2 1 1 A 37 37 GLY HA2 H 37 3.962 3.939 0.023 1
1 361 . 2 1 1 A 38 38 GLU N N 38 120.488 120.403 0.085 1
1 362 . 2 1 1 A 38 38 GLU H H 38 8.069 7.736 0.333 1
1 363 . 2 1 1 A 38 38 GLU CA C 38 56.503 55.515 0.988 1
1 364 . 2 1 1 A 38 38 GLU HA H 38 4.246 4.356 -0.110 1
1 365 . 2 1 1 A 38 38 GLU CB C 38 30.654 29.582 1.072 1
1 371 . 2 1 1 A 39 39 LYS N N 39 123.332 117.097 6.235 1
1 372 . 2 1 1 A 39 39 LYS H H 39 8.335 7.517 0.818 1
1 373 . 2 1 1 A 39 39 LYS CA C 39 53.992 53.556 0.436 1
1 374 . 2 1 1 A 39 39 LYS HA H 39 4.632 4.948 -0.316 1
1 375 . 2 1 1 A 39 39 LYS CB C 39 32.631 35.247 -2.616 1
1 387 . 2 1 1 A 40 40 PRO CA C 40 63.250 62.422 0.828 1
1 388 . 2 1 1 A 40 40 PRO HA H 40 4.474 4.529 -0.055 1
1 389 . 2 1 1 A 40 40 PRO CB C 40 32.174 32.645 -0.471 1
1 398 . 2 1 1 A 42 42 GLY CA C 42 44.688 45.460 -0.772 1
1 399 . 2 1 1 A 42 42 GLY HA3 H 42 4.109 4.225 -0.116 1
1 400 . 2 1 1 A 42 42 GLY HA2 H 42 4.169 4.224 -0.055 1
1 401 . 2 1 1 A 43 43 PRO CA C 43 63.207 62.699 0.508 1
1 402 . 2 1 1 A 43 43 PRO HA H 43 4.465 4.611 -0.146 1
1 403 . 2 1 1 A 43 43 PRO CB C 43 32.213 32.282 -0.069 1
1 412 . 2 1 1 A 45 45 SER CA C 45 58.377 59.314 -0.937 1
1 413 . 2 1 1 A 45 45 SER HA H 45 4.447 4.083 0.364 1
1 414 . 2 1 1 A 45 45 SER CB C 45 64.066 61.943 2.123 1
1 415 . 2 1 1 A 45 45 SER C C 45 173.889 173.740 0.149 1
1 1 . 3 1 1 A 8 8 THR N N 8 112.844 115.137 -2.293 1
1 2 . 3 1 1 A 8 8 THR H H 8 8.151 8.677 -0.526 1
1 3 . 3 1 1 A 8 8 THR CA C 8 61.903 63.336 -1.433 1
1 4 . 3 1 1 A 8 8 THR HA H 8 4.363 4.475 -0.112 1
1 5 . 3 1 1 A 8 8 THR CB C 8 69.727 70.954 -1.227 1
1 11 . 3 1 1 A 8 8 THR C C 8 175.240 174.884 0.356 1
1 12 . 3 1 1 A 9 9 GLY N N 9 111.083 108.874 2.209 1
1 13 . 3 1 1 A 9 9 GLY H H 9 8.440 7.830 0.610 1
1 14 . 3 1 1 A 9 9 GLY CA C 9 45.249 46.963 -1.714 1
1 15 . 3 1 1 A 9 9 GLY HA3 H 9 3.973 3.885 0.088 1
1 16 . 3 1 1 A 9 9 GLY C C 9 174.005 173.763 0.242 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 3.925 3.882 0.043 1
1 18 . 3 1 1 A 10 10 GLU N N 10 120.520 122.826 -2.306 1
1 19 . 3 1 1 A 10 10 GLU H H 10 8.187 7.988 0.199 1
1 20 . 3 1 1 A 10 10 GLU CA C 10 56.547 56.651 -0.104 1
1 21 . 3 1 1 A 10 10 GLU HA H 10 4.204 4.242 -0.038 1
1 22 . 3 1 1 A 10 10 GLU CB C 10 30.461 30.583 -0.122 1
1 28 . 3 1 1 A 11 11 LYS N N 11 122.559 125.543 -2.984 1
1 29 . 3 1 1 A 11 11 LYS H H 11 8.393 8.280 0.113 1
1 30 . 3 1 1 A 11 11 LYS CA C 11 53.799 53.041 0.758 1
1 31 . 3 1 1 A 11 11 LYS HA H 11 4.462 4.728 -0.266 1
1 32 . 3 1 1 A 11 11 LYS CB C 11 32.248 33.521 -1.273 1
1 44 . 3 1 1 A 12 12 PRO CA C 12 63.975 64.029 -0.054 1
1 45 . 3 1 1 A 12 12 PRO HA H 12 4.191 4.250 -0.059 1
1 46 . 3 1 1 A 12 12 PRO CB C 12 32.032 31.351 0.681 1
1 51 . 3 1 1 A 12 12 PRO C C 12 176.302 175.741 0.561 1
1 55 . 3 1 1 A 13 13 TYR N N 13 117.435 117.784 -0.349 1
1 56 . 3 1 1 A 13 13 TYR H H 13 7.669 7.328 0.341 1
1 57 . 3 1 1 A 13 13 TYR CA C 13 57.269 56.613 0.656 1
1 58 . 3 1 1 A 13 13 TYR HA H 13 4.691 5.357 -0.666 1
1 59 . 3 1 1 A 13 13 TYR CB C 13 38.999 41.422 -2.423 1
1 69 . 3 1 1 A 13 13 TYR C C 13 174.478 174.120 0.358 1
1 71 . 3 1 1 A 14 14 LYS N N 14 123.791 124.549 -0.758 1
1 72 . 3 1 1 A 14 14 LYS H H 14 8.654 8.955 -0.301 1
1 73 . 3 1 1 A 14 14 LYS CA C 14 54.812 54.400 0.412 1
1 74 . 3 1 1 A 14 14 LYS HA H 14 5.127 5.256 -0.129 1
1 75 . 3 1 1 A 14 14 LYS CB C 14 35.391 36.293 -0.902 1
1 82 . 3 1 1 A 14 14 LYS C C 14 175.398 174.905 0.493 1
1 87 . 3 1 1 A 15 15 CYS N N 15 126.096 124.224 1.872 1
1 88 . 3 1 1 A 15 15 CYS H H 15 9.178 9.133 0.045 1
1 89 . 3 1 1 A 15 15 CYS CA C 15 59.645 60.268 -0.623 1
1 90 . 3 1 1 A 15 15 CYS HA H 15 4.650 4.489 0.161 1
1 91 . 3 1 1 A 15 15 CYS CB C 15 30.010 28.495 1.515 1
1 93 . 3 1 1 A 15 15 CYS C C 15 177.625 175.501 2.124 1
1 95 . 3 1 1 A 16 16 GLU N N 16 115.168 126.964 -11.796 1
1 96 . 3 1 1 A 16 16 GLU H H 16 9.873 9.205 0.668 1
1 97 . 3 1 1 A 16 16 GLU CA C 16 58.804 56.749 2.055 1
1 98 . 3 1 1 A 16 16 GLU HA H 16 4.169 4.523 -0.354 1
1 99 . 3 1 1 A 16 16 GLU CB C 16 29.630 29.916 -0.286 1
1 103 . 3 1 1 A 16 16 GLU C C 16 176.727 176.696 0.031 1
1 106 . 3 1 1 A 17 17 GLU N N 17 120.669 117.674 2.995 1
1 107 . 3 1 1 A 17 17 GLU H H 17 8.841 7.451 1.390 1
1 108 . 3 1 1 A 17 17 GLU CA C 17 58.374 57.000 1.374 1
1 109 . 3 1 1 A 17 17 GLU HA H 17 4.246 4.529 -0.283 1
1 110 . 3 1 1 A 17 17 GLU CB C 17 29.475 31.596 -2.121 1
1 114 . 3 1 1 A 17 17 GLU C C 17 177.380 177.886 -0.506 1
1 117 . 3 1 1 A 18 18 CYS N N 18 114.881 114.631 0.250 1
1 118 . 3 1 1 A 18 18 CYS H H 18 8.097 8.056 0.041 1
1 119 . 3 1 1 A 18 18 CYS CA C 18 58.406 59.235 -0.829 1
1 120 . 3 1 1 A 18 18 CYS HA H 18 5.201 4.766 0.435 1
1 121 . 3 1 1 A 18 18 CYS CB C 18 32.573 30.564 2.009 1
1 123 . 3 1 1 A 18 18 CYS C C 18 176.431 175.877 0.554 1
1 125 . 3 1 1 A 19 19 GLY N N 19 113.739 109.267 4.472 1
1 126 . 3 1 1 A 19 19 GLY H H 19 8.213 8.026 0.187 1
1 127 . 3 1 1 A 19 19 GLY CA C 19 46.251 45.986 0.265 1
1 128 . 3 1 1 A 19 19 GLY HA3 H 19 4.264 3.997 0.267 1
1 129 . 3 1 1 A 19 19 GLY C C 19 173.590 174.372 -0.782 1
1 130 . 3 1 1 A 19 19 GLY HA2 H 19 3.805 3.977 -0.172 1
1 131 . 3 1 1 A 20 20 LYS N N 20 123.026 125.028 -2.002 1
1 132 . 3 1 1 A 20 20 LYS H H 20 7.945 8.124 -0.179 1
1 133 . 3 1 1 A 20 20 LYS CA C 20 58.313 57.069 1.244 1
1 134 . 3 1 1 A 20 20 LYS HA H 20 3.959 4.419 -0.460 1
1 135 . 3 1 1 A 20 20 LYS CB C 20 33.856 35.331 -1.475 1
1 142 . 3 1 1 A 20 20 LYS C C 20 174.525 176.399 -1.874 1
1 147 . 3 1 1 A 21 21 GLY N N 21 108.257 106.559 1.698 1
1 148 . 3 1 1 A 21 21 GLY H H 21 7.930 7.671 0.259 1
1 149 . 3 1 1 A 21 21 GLY CA C 21 44.040 44.431 -0.391 1
1 150 . 3 1 1 A 21 21 GLY HA3 H 21 4.917 4.022 0.895 1
1 151 . 3 1 1 A 21 21 GLY C C 21 172.346 172.330 0.016 1
1 152 . 3 1 1 A 21 21 GLY HA2 H 21 3.302 3.904 -0.602 1
1 153 . 3 1 1 A 22 22 PHE N N 22 117.898 120.630 -2.732 1
1 154 . 3 1 1 A 22 22 PHE H H 22 8.698 9.094 -0.396 1
1 155 . 3 1 1 A 22 22 PHE CA C 22 57.478 56.119 1.359 1
1 156 . 3 1 1 A 22 22 PHE HA H 22 4.736 5.078 -0.342 1
1 157 . 3 1 1 A 22 22 PHE CB C 22 43.762 43.142 0.620 1
1 169 . 3 1 1 A 22 22 PHE C C 22 175.511 175.209 0.302 1
1 171 . 3 1 1 A 23 23 ILE N N 23 117.272 120.015 -2.743 1
1 172 . 3 1 1 A 23 23 ILE H H 23 9.358 8.876 0.482 1
1 173 . 3 1 1 A 23 23 ILE CA C 23 62.295 61.289 1.006 1
1 174 . 3 1 1 A 23 23 ILE HA H 23 4.392 4.296 0.096 1
1 175 . 3 1 1 A 23 23 ILE CB C 23 39.428 37.353 2.075 1
1 187 . 3 1 1 A 23 23 ILE C C 23 175.245 175.387 -0.142 1
1 189 . 3 1 1 A 24 24 CYS N N 24 112.667 120.254 -7.587 1
1 190 . 3 1 1 A 24 24 CYS H H 24 7.593 7.864 -0.271 1
1 191 . 3 1 1 A 24 24 CYS CA C 24 55.415 59.086 -3.671 1
1 192 . 3 1 1 A 24 24 CYS HA H 24 4.902 4.912 -0.010 1
1 193 . 3 1 1 A 24 24 CYS CB C 24 30.722 31.109 -0.387 1
1 195 . 3 1 1 A 24 24 CYS C C 24 173.592 174.642 -1.050 1
1 197 . 3 1 1 A 25 25 ARG N N 25 124.960 125.769 -0.809 1
1 198 . 3 1 1 A 25 25 ARG H H 25 8.413 8.967 -0.554 1
1 199 . 3 1 1 A 25 25 ARG CA C 25 59.380 59.828 -0.448 1
1 200 . 3 1 1 A 25 25 ARG HA H 25 3.000 3.584 -0.584 1
1 201 . 3 1 1 A 25 25 ARG CB C 25 29.593 29.743 -0.150 1
1 207 . 3 1 1 A 25 25 ARG C C 25 177.723 177.774 -0.051 1
1 211 . 3 1 1 A 26 26 ARG N N 26 119.340 119.803 -0.463 1
1 212 . 3 1 1 A 26 26 ARG H H 26 8.556 8.089 0.467 1
1 213 . 3 1 1 A 26 26 ARG CA C 26 59.426 59.195 0.231 1
1 214 . 3 1 1 A 26 26 ARG HA H 26 3.916 3.995 -0.079 1
1 215 . 3 1 1 A 26 26 ARG CB C 26 29.598 30.138 -0.540 1
1 221 . 3 1 1 A 26 26 ARG C C 26 178.094 178.353 -0.259 1
1 225 . 3 1 1 A 27 27 ASP N N 27 119.260 119.993 -0.733 1
1 226 . 3 1 1 A 27 27 ASP H H 27 7.230 8.208 -0.978 1
1 227 . 3 1 1 A 27 27 ASP CA C 27 56.644 57.092 -0.448 1
1 228 . 3 1 1 A 27 27 ASP HA H 27 4.313 4.350 -0.037 1
1 229 . 3 1 1 A 27 27 ASP CB C 27 40.265 41.759 -1.494 1
1 231 . 3 1 1 A 27 27 ASP C C 27 178.277 177.797 0.480 1
1 233 . 3 1 1 A 28 28 LEU N N 28 122.446 119.944 2.502 1
1 234 . 3 1 1 A 28 28 LEU H H 28 6.896 8.055 -1.159 1
1 235 . 3 1 1 A 28 28 LEU CA C 28 57.691 57.976 -0.285 1
1 236 . 3 1 1 A 28 28 LEU HA H 28 3.060 2.591 0.469 1
1 237 . 3 1 1 A 28 28 LEU CB C 28 40.529 41.481 -0.952 1
1 249 . 3 1 1 A 28 28 LEU C C 28 176.873 177.704 -0.831 1
1 251 . 3 1 1 A 29 29 TYR N N 29 118.891 118.366 0.525 1
1 252 . 3 1 1 A 29 29 TYR H H 29 8.132 7.959 0.173 1
1 253 . 3 1 1 A 29 29 TYR CA C 29 59.994 60.278 -0.284 1
1 254 . 3 1 1 A 29 29 TYR HA H 29 4.244 4.171 0.073 1
1 255 . 3 1 1 A 29 29 TYR CB C 29 36.781 38.040 -1.259 1
1 265 . 3 1 1 A 29 29 TYR C C 29 179.157 178.268 0.889 1
1 267 . 3 1 1 A 30 30 THR N N 30 115.895 115.265 0.630 1
1 268 . 3 1 1 A 30 30 THR H H 30 8.209 8.071 0.138 1
1 269 . 3 1 1 A 30 30 THR CA C 30 66.204 66.963 -0.759 1
1 270 . 3 1 1 A 30 30 THR HA H 30 3.916 3.926 -0.010 1
1 271 . 3 1 1 A 30 30 THR CB C 30 68.718 68.879 -0.161 1
1 277 . 3 1 1 A 30 30 THR C C 30 176.781 176.124 0.657 1
1 278 . 3 1 1 A 31 31 HIS N N 31 122.097 121.503 0.594 1
1 279 . 3 1 1 A 31 31 HIS H H 31 7.587 8.066 -0.479 1
1 280 . 3 1 1 A 31 31 HIS CA C 31 59.221 59.303 -0.082 1
1 281 . 3 1 1 A 31 31 HIS HA H 31 4.204 4.250 -0.046 1
1 282 . 3 1 1 A 31 31 HIS CB C 31 28.238 29.622 -1.384 1
1 288 . 3 1 1 A 31 31 HIS C C 31 176.085 177.296 -1.211 1
1 290 . 3 1 1 A 32 32 HIS N N 32 117.054 119.217 -2.163 1
1 291 . 3 1 1 A 32 32 HIS H H 32 8.430 8.017 0.413 1
1 292 . 3 1 1 A 32 32 HIS CA C 32 59.270 59.459 -0.189 1
1 293 . 3 1 1 A 32 32 HIS HA H 32 4.057 3.951 0.106 1
1 294 . 3 1 1 A 32 32 HIS CB C 32 30.135 30.118 0.017 1
1 300 . 3 1 1 A 32 32 HIS C C 32 176.903 177.410 -0.507 1
1 302 . 3 1 1 A 33 33 MET N N 33 115.224 118.118 -2.894 1
1 303 . 3 1 1 A 33 33 MET H H 33 7.167 8.086 -0.919 1
1 304 . 3 1 1 A 33 33 MET CA C 33 57.787 58.343 -0.556 1
1 305 . 3 1 1 A 33 33 MET HA H 33 4.232 3.970 0.262 1
1 306 . 3 1 1 A 33 33 MET CB C 33 32.279 32.629 -0.350 1
1 314 . 3 1 1 A 33 33 MET C C 33 178.493 178.140 0.353 1
1 317 . 3 1 1 A 34 34 VAL N N 34 117.328 115.431 1.897 1
1 318 . 3 1 1 A 34 34 VAL H H 34 8.026 7.669 0.357 1
1 319 . 3 1 1 A 34 34 VAL CA C 34 64.228 64.460 -0.232 1
1 320 . 3 1 1 A 34 34 VAL HA H 34 3.882 3.886 -0.004 1
1 321 . 3 1 1 A 34 34 VAL CB C 34 31.061 31.276 -0.215 1
1 331 . 3 1 1 A 34 34 VAL C C 34 177.569 176.426 1.143 1
1 332 . 3 1 1 A 35 35 HIS N N 35 117.001 119.635 -2.634 1
1 333 . 3 1 1 A 35 35 HIS H H 35 7.262 7.734 -0.472 1
1 334 . 3 1 1 A 35 35 HIS CA C 35 55.398 55.233 0.165 1
1 335 . 3 1 1 A 35 35 HIS HA H 35 4.799 4.518 0.281 1
1 336 . 3 1 1 A 35 35 HIS CB C 35 28.605 29.011 -0.406 1
1 342 . 3 1 1 A 35 35 HIS C C 35 175.891 175.337 0.554 1
1 344 . 3 1 1 A 36 36 THR N N 36 110.979 110.876 0.103 1
1 345 . 3 1 1 A 36 36 THR H H 36 7.665 7.782 -0.117 1
1 346 . 3 1 1 A 36 36 THR CA C 36 62.565 62.764 -0.199 1
1 347 . 3 1 1 A 36 36 THR HA H 36 4.329 4.099 0.230 1
1 348 . 3 1 1 A 36 36 THR CB C 36 69.832 69.463 0.369 1
1 354 . 3 1 1 A 36 36 THR C C 36 175.484 174.746 0.738 1
1 355 . 3 1 1 A 37 37 GLY N N 37 110.523 109.989 0.534 1
1 356 . 3 1 1 A 37 37 GLY H H 37 8.180 7.855 0.325 1
1 357 . 3 1 1 A 37 37 GLY CA C 37 45.329 45.369 -0.040 1
1 358 . 3 1 1 A 37 37 GLY HA3 H 37 4.019 3.935 0.084 1
1 359 . 3 1 1 A 37 37 GLY C C 37 174.008 172.760 1.248 1
1 360 . 3 1 1 A 37 37 GLY HA2 H 37 3.962 3.930 0.032 1
1 361 . 3 1 1 A 38 38 GLU N N 38 120.488 123.689 -3.201 1
1 362 . 3 1 1 A 38 38 GLU H H 38 8.069 8.451 -0.382 1
1 363 . 3 1 1 A 38 38 GLU CA C 38 56.503 56.332 0.171 1
1 364 . 3 1 1 A 38 38 GLU HA H 38 4.246 4.253 -0.007 1
1 365 . 3 1 1 A 38 38 GLU CB C 38 30.654 30.506 0.148 1
1 371 . 3 1 1 A 39 39 LYS N N 39 123.332 121.897 1.435 1
1 372 . 3 1 1 A 39 39 LYS H H 39 8.335 8.408 -0.073 1
1 373 . 3 1 1 A 39 39 LYS CA C 39 53.992 53.717 0.275 1
1 374 . 3 1 1 A 39 39 LYS HA H 39 4.632 4.611 0.021 1
1 375 . 3 1 1 A 39 39 LYS CB C 39 32.631 31.986 0.645 1
1 387 . 3 1 1 A 40 40 PRO CA C 40 63.250 62.910 0.340 1
1 388 . 3 1 1 A 40 40 PRO HA H 40 4.474 4.408 0.066 1
1 389 . 3 1 1 A 40 40 PRO CB C 40 32.174 32.102 0.072 1
1 398 . 3 1 1 A 42 42 GLY CA C 42 44.688 46.895 -2.207 1
1 399 . 3 1 1 A 42 42 GLY HA3 H 42 4.109 3.963 0.146 1
1 400 . 3 1 1 A 42 42 GLY HA2 H 42 4.169 3.962 0.207 1
1 401 . 3 1 1 A 43 43 PRO CA C 43 63.207 62.260 0.947 1
1 402 . 3 1 1 A 43 43 PRO HA H 43 4.465 4.663 -0.198 1
1 403 . 3 1 1 A 43 43 PRO CB C 43 32.213 29.502 2.711 1
1 412 . 3 1 1 A 45 45 SER CA C 45 58.377 57.278 1.099 1
1 413 . 3 1 1 A 45 45 SER HA H 45 4.447 5.341 -0.894 1
1 414 . 3 1 1 A 45 45 SER CB C 45 64.066 65.258 -1.192 1
1 415 . 3 1 1 A 45 45 SER C C 45 173.889 174.423 -0.534 1
1 1 . 4 1 1 A 8 8 THR N N 8 112.844 118.792 -5.948 1
1 2 . 4 1 1 A 8 8 THR H H 8 8.151 8.824 -0.673 1
1 3 . 4 1 1 A 8 8 THR CA C 8 61.903 62.717 -0.814 1
1 4 . 4 1 1 A 8 8 THR HA H 8 4.363 3.899 0.464 1
1 5 . 4 1 1 A 8 8 THR CB C 8 69.727 67.059 2.668 1
1 11 . 4 1 1 A 8 8 THR C C 8 175.240 173.954 1.286 1
1 12 . 4 1 1 A 9 9 GLY N N 9 111.083 108.125 2.958 1
1 13 . 4 1 1 A 9 9 GLY H H 9 8.440 7.880 0.560 1
1 14 . 4 1 1 A 9 9 GLY CA C 9 45.249 45.594 -0.345 1
1 15 . 4 1 1 A 9 9 GLY HA3 H 9 3.973 4.086 -0.113 1
1 16 . 4 1 1 A 9 9 GLY C C 9 174.005 173.698 0.307 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 3.925 4.082 -0.157 1
1 18 . 4 1 1 A 10 10 GLU N N 10 120.520 119.940 0.580 1
1 19 . 4 1 1 A 10 10 GLU H H 10 8.187 9.048 -0.861 1
1 20 . 4 1 1 A 10 10 GLU CA C 10 56.547 57.110 -0.563 1
1 21 . 4 1 1 A 10 10 GLU HA H 10 4.204 3.932 0.272 1
1 22 . 4 1 1 A 10 10 GLU CB C 10 30.461 28.117 2.344 1
1 28 . 4 1 1 A 11 11 LYS N N 11 122.559 119.797 2.762 1
1 29 . 4 1 1 A 11 11 LYS H H 11 8.393 7.924 0.469 1
1 30 . 4 1 1 A 11 11 LYS CA C 11 53.799 55.113 -1.314 1
1 31 . 4 1 1 A 11 11 LYS HA H 11 4.462 4.295 0.167 1
1 32 . 4 1 1 A 11 11 LYS CB C 11 32.248 31.797 0.451 1
1 44 . 4 1 1 A 12 12 PRO CA C 12 63.975 64.391 -0.416 1
1 45 . 4 1 1 A 12 12 PRO HA H 12 4.191 4.236 -0.045 1
1 46 . 4 1 1 A 12 12 PRO CB C 12 32.032 31.769 0.263 1
1 51 . 4 1 1 A 12 12 PRO C C 12 176.302 175.791 0.511 1
1 55 . 4 1 1 A 13 13 TYR N N 13 117.435 117.681 -0.246 1
1 56 . 4 1 1 A 13 13 TYR H H 13 7.669 7.072 0.597 1
1 57 . 4 1 1 A 13 13 TYR CA C 13 57.269 56.546 0.723 1
1 58 . 4 1 1 A 13 13 TYR HA H 13 4.691 5.440 -0.749 1
1 59 . 4 1 1 A 13 13 TYR CB C 13 38.999 42.560 -3.561 1
1 69 . 4 1 1 A 13 13 TYR C C 13 174.478 174.197 0.281 1
1 71 . 4 1 1 A 14 14 LYS N N 14 123.791 124.387 -0.596 1
1 72 . 4 1 1 A 14 14 LYS H H 14 8.654 9.195 -0.541 1
1 73 . 4 1 1 A 14 14 LYS CA C 14 54.812 54.167 0.645 1
1 74 . 4 1 1 A 14 14 LYS HA H 14 5.127 5.160 -0.033 1
1 75 . 4 1 1 A 14 14 LYS CB C 14 35.391 36.183 -0.792 1
1 82 . 4 1 1 A 14 14 LYS C C 14 175.398 175.162 0.236 1
1 87 . 4 1 1 A 15 15 CYS N N 15 126.096 124.391 1.705 1
1 88 . 4 1 1 A 15 15 CYS H H 15 9.178 9.196 -0.018 1
1 89 . 4 1 1 A 15 15 CYS CA C 15 59.645 59.813 -0.168 1
1 90 . 4 1 1 A 15 15 CYS HA H 15 4.650 4.689 -0.039 1
1 91 . 4 1 1 A 15 15 CYS CB C 15 30.010 28.812 1.198 1
1 93 . 4 1 1 A 15 15 CYS C C 15 177.625 175.183 2.442 1
1 95 . 4 1 1 A 16 16 GLU N N 16 115.168 125.962 -10.794 1
1 96 . 4 1 1 A 16 16 GLU H H 16 9.873 9.041 0.832 1
1 97 . 4 1 1 A 16 16 GLU CA C 16 58.804 58.463 0.341 1
1 98 . 4 1 1 A 16 16 GLU HA H 16 4.169 4.269 -0.100 1
1 99 . 4 1 1 A 16 16 GLU CB C 16 29.630 29.804 -0.174 1
1 103 . 4 1 1 A 16 16 GLU C C 16 176.727 178.592 -1.865 1
1 106 . 4 1 1 A 17 17 GLU N N 17 120.669 118.963 1.706 1
1 107 . 4 1 1 A 17 17 GLU H H 17 8.841 7.892 0.949 1
1 108 . 4 1 1 A 17 17 GLU CA C 17 58.374 58.869 -0.495 1
1 109 . 4 1 1 A 17 17 GLU HA H 17 4.246 3.941 0.305 1
1 110 . 4 1 1 A 17 17 GLU CB C 17 29.475 28.709 0.766 1
1 114 . 4 1 1 A 17 17 GLU C C 17 177.380 177.968 -0.588 1
1 117 . 4 1 1 A 18 18 CYS N N 18 114.881 114.361 0.520 1
1 118 . 4 1 1 A 18 18 CYS H H 18 8.097 7.452 0.645 1
1 119 . 4 1 1 A 18 18 CYS CA C 18 58.406 59.264 -0.858 1
1 120 . 4 1 1 A 18 18 CYS HA H 18 5.201 4.714 0.487 1
1 121 . 4 1 1 A 18 18 CYS CB C 18 32.573 30.467 2.106 1
1 123 . 4 1 1 A 18 18 CYS C C 18 176.431 175.834 0.597 1
1 125 . 4 1 1 A 19 19 GLY N N 19 113.739 109.299 4.440 1
1 126 . 4 1 1 A 19 19 GLY H H 19 8.213 8.155 0.058 1
1 127 . 4 1 1 A 19 19 GLY CA C 19 46.251 46.670 -0.419 1
1 128 . 4 1 1 A 19 19 GLY HA3 H 19 4.264 4.039 0.225 1
1 129 . 4 1 1 A 19 19 GLY C C 19 173.590 174.617 -1.027 1
1 130 . 4 1 1 A 19 19 GLY HA2 H 19 3.805 3.985 -0.180 1
1 131 . 4 1 1 A 20 20 LYS N N 20 123.026 123.104 -0.078 1
1 132 . 4 1 1 A 20 20 LYS H H 20 7.945 8.085 -0.140 1
1 133 . 4 1 1 A 20 20 LYS CA C 20 58.313 57.095 1.218 1
1 134 . 4 1 1 A 20 20 LYS HA H 20 3.959 4.315 -0.356 1
1 135 . 4 1 1 A 20 20 LYS CB C 20 33.856 34.290 -0.434 1
1 142 . 4 1 1 A 20 20 LYS C C 20 174.525 176.599 -2.074 1
1 147 . 4 1 1 A 21 21 GLY N N 21 108.257 106.160 2.097 1
1 148 . 4 1 1 A 21 21 GLY H H 21 7.930 7.528 0.402 1
1 149 . 4 1 1 A 21 21 GLY CA C 21 44.040 44.574 -0.534 1
1 150 . 4 1 1 A 21 21 GLY HA3 H 21 4.917 4.009 0.908 1
1 151 . 4 1 1 A 21 21 GLY C C 21 172.346 172.551 -0.205 1
1 152 . 4 1 1 A 21 21 GLY HA2 H 21 3.302 3.885 -0.583 1
1 153 . 4 1 1 A 22 22 PHE N N 22 117.898 121.887 -3.989 1
1 154 . 4 1 1 A 22 22 PHE H H 22 8.698 9.217 -0.519 1
1 155 . 4 1 1 A 22 22 PHE CA C 22 57.478 56.328 1.150 1
1 156 . 4 1 1 A 22 22 PHE HA H 22 4.736 5.211 -0.475 1
1 157 . 4 1 1 A 22 22 PHE CB C 22 43.762 43.880 -0.118 1
1 169 . 4 1 1 A 22 22 PHE C C 22 175.511 175.642 -0.131 1
1 171 . 4 1 1 A 23 23 ILE N N 23 117.272 120.302 -3.030 1
1 172 . 4 1 1 A 23 23 ILE H H 23 9.358 8.831 0.527 1
1 173 . 4 1 1 A 23 23 ILE CA C 23 62.295 62.926 -0.631 1
1 174 . 4 1 1 A 23 23 ILE HA H 23 4.392 4.309 0.083 1
1 175 . 4 1 1 A 23 23 ILE CB C 23 39.428 38.481 0.947 1
1 187 . 4 1 1 A 23 23 ILE C C 23 175.245 176.314 -1.069 1
1 189 . 4 1 1 A 24 24 CYS N N 24 112.667 119.777 -7.110 1
1 190 . 4 1 1 A 24 24 CYS H H 24 7.593 7.898 -0.305 1
1 191 . 4 1 1 A 24 24 CYS CA C 24 55.415 58.653 -3.238 1
1 192 . 4 1 1 A 24 24 CYS HA H 24 4.902 4.737 0.165 1
1 193 . 4 1 1 A 24 24 CYS CB C 24 30.722 29.101 1.621 1
1 195 . 4 1 1 A 24 24 CYS C C 24 173.592 175.012 -1.420 1
1 197 . 4 1 1 A 25 25 ARG N N 25 124.960 124.410 0.550 1
1 198 . 4 1 1 A 25 25 ARG H H 25 8.413 8.682 -0.269 1
1 199 . 4 1 1 A 25 25 ARG CA C 25 59.380 59.941 -0.561 1
1 200 . 4 1 1 A 25 25 ARG HA H 25 3.000 3.625 -0.625 1
1 201 . 4 1 1 A 25 25 ARG CB C 25 29.593 29.956 -0.363 1
1 207 . 4 1 1 A 25 25 ARG C C 25 177.723 178.530 -0.807 1
1 211 . 4 1 1 A 26 26 ARG N N 26 119.340 119.892 -0.552 1
1 212 . 4 1 1 A 26 26 ARG H H 26 8.556 7.828 0.728 1
1 213 . 4 1 1 A 26 26 ARG CA C 26 59.426 59.243 0.183 1
1 214 . 4 1 1 A 26 26 ARG HA H 26 3.916 3.892 0.024 1
1 215 . 4 1 1 A 26 26 ARG CB C 26 29.598 29.836 -0.238 1
1 221 . 4 1 1 A 26 26 ARG C C 26 178.094 177.939 0.155 1
1 225 . 4 1 1 A 27 27 ASP N N 27 119.260 119.750 -0.490 1
1 226 . 4 1 1 A 27 27 ASP H H 27 7.230 8.130 -0.900 1
1 227 . 4 1 1 A 27 27 ASP CA C 27 56.644 57.660 -1.016 1
1 228 . 4 1 1 A 27 27 ASP HA H 27 4.313 4.292 0.021 1
1 229 . 4 1 1 A 27 27 ASP CB C 27 40.265 41.642 -1.377 1
1 231 . 4 1 1 A 27 27 ASP C C 27 178.277 177.927 0.350 1
1 233 . 4 1 1 A 28 28 LEU N N 28 122.446 120.073 2.373 1
1 234 . 4 1 1 A 28 28 LEU H H 28 6.896 8.005 -1.109 1
1 235 . 4 1 1 A 28 28 LEU CA C 28 57.691 58.107 -0.416 1
1 236 . 4 1 1 A 28 28 LEU HA H 28 3.060 3.252 -0.192 1
1 237 . 4 1 1 A 28 28 LEU CB C 28 40.529 41.764 -1.235 1
1 249 . 4 1 1 A 28 28 LEU C C 28 176.873 177.922 -1.049 1
1 251 . 4 1 1 A 29 29 TYR N N 29 118.891 118.412 0.479 1
1 252 . 4 1 1 A 29 29 TYR H H 29 8.132 8.209 -0.077 1
1 253 . 4 1 1 A 29 29 TYR CA C 29 59.994 60.306 -0.312 1
1 254 . 4 1 1 A 29 29 TYR HA H 29 4.244 4.201 0.043 1
1 255 . 4 1 1 A 29 29 TYR CB C 29 36.781 38.229 -1.448 1
1 265 . 4 1 1 A 29 29 TYR C C 29 179.157 178.253 0.904 1
1 267 . 4 1 1 A 30 30 THR N N 30 115.895 115.569 0.326 1
1 268 . 4 1 1 A 30 30 THR H H 30 8.209 8.232 -0.023 1
1 269 . 4 1 1 A 30 30 THR CA C 30 66.204 67.019 -0.815 1
1 270 . 4 1 1 A 30 30 THR HA H 30 3.916 3.836 0.080 1
1 271 . 4 1 1 A 30 30 THR CB C 30 68.718 68.606 0.112 1
1 277 . 4 1 1 A 30 30 THR C C 30 176.781 176.128 0.653 1
1 278 . 4 1 1 A 31 31 HIS N N 31 122.097 120.139 1.958 1
1 279 . 4 1 1 A 31 31 HIS H H 31 7.587 8.295 -0.708 1
1 280 . 4 1 1 A 31 31 HIS CA C 31 59.221 59.463 -0.242 1
1 281 . 4 1 1 A 31 31 HIS HA H 31 4.204 4.177 0.027 1
1 282 . 4 1 1 A 31 31 HIS CB C 31 28.238 29.714 -1.476 1
1 288 . 4 1 1 A 31 31 HIS C C 31 176.085 177.416 -1.331 1
1 290 . 4 1 1 A 32 32 HIS N N 32 117.054 118.919 -1.865 1
1 291 . 4 1 1 A 32 32 HIS H H 32 8.430 7.832 0.598 1
1 292 . 4 1 1 A 32 32 HIS CA C 32 59.270 59.370 -0.100 1
1 293 . 4 1 1 A 32 32 HIS HA H 32 4.057 3.863 0.194 1
1 294 . 4 1 1 A 32 32 HIS CB C 32 30.135 30.058 0.077 1
1 300 . 4 1 1 A 32 32 HIS C C 32 176.903 177.174 -0.271 1
1 302 . 4 1 1 A 33 33 MET N N 33 115.224 118.122 -2.898 1
1 303 . 4 1 1 A 33 33 MET H H 33 7.167 8.331 -1.164 1
1 304 . 4 1 1 A 33 33 MET CA C 33 57.787 58.401 -0.614 1
1 305 . 4 1 1 A 33 33 MET HA H 33 4.232 3.994 0.238 1
1 306 . 4 1 1 A 33 33 MET CB C 33 32.279 32.734 -0.455 1
1 314 . 4 1 1 A 33 33 MET C C 33 178.493 178.033 0.460 1
1 317 . 4 1 1 A 34 34 VAL N N 34 117.328 116.523 0.805 1
1 318 . 4 1 1 A 34 34 VAL H H 34 8.026 7.848 0.178 1
1 319 . 4 1 1 A 34 34 VAL CA C 34 64.228 65.241 -1.013 1
1 320 . 4 1 1 A 34 34 VAL HA H 34 3.882 3.844 0.038 1
1 321 . 4 1 1 A 34 34 VAL CB C 34 31.061 31.059 0.002 1
1 331 . 4 1 1 A 34 34 VAL C C 34 177.569 176.973 0.596 1
1 332 . 4 1 1 A 35 35 HIS N N 35 117.001 119.428 -2.427 1
1 333 . 4 1 1 A 35 35 HIS H H 35 7.262 7.510 -0.248 1
1 334 . 4 1 1 A 35 35 HIS CA C 35 55.398 57.886 -2.488 1
1 335 . 4 1 1 A 35 35 HIS HA H 35 4.799 4.348 0.451 1
1 336 . 4 1 1 A 35 35 HIS CB C 35 28.605 30.702 -2.097 1
1 342 . 4 1 1 A 35 35 HIS C C 35 175.891 175.107 0.784 1
1 344 . 4 1 1 A 36 36 THR N N 36 110.979 111.291 -0.312 1
1 345 . 4 1 1 A 36 36 THR H H 36 7.665 7.571 0.094 1
1 346 . 4 1 1 A 36 36 THR CA C 36 62.565 61.360 1.205 1
1 347 . 4 1 1 A 36 36 THR HA H 36 4.329 4.436 -0.107 1
1 348 . 4 1 1 A 36 36 THR CB C 36 69.832 69.237 0.595 1
1 354 . 4 1 1 A 36 36 THR C C 36 175.484 174.533 0.951 1
1 355 . 4 1 1 A 37 37 GLY N N 37 110.523 110.386 0.137 1
1 356 . 4 1 1 A 37 37 GLY H H 37 8.180 8.073 0.107 1
1 357 . 4 1 1 A 37 37 GLY CA C 37 45.329 44.120 1.209 1
1 358 . 4 1 1 A 37 37 GLY HA3 H 37 4.019 4.144 -0.125 1
1 359 . 4 1 1 A 37 37 GLY C C 37 174.008 172.080 1.928 1
1 360 . 4 1 1 A 37 37 GLY HA2 H 37 3.962 4.131 -0.169 1
1 361 . 4 1 1 A 38 38 GLU N N 38 120.488 122.344 -1.856 1
1 362 . 4 1 1 A 38 38 GLU H H 38 8.069 8.686 -0.617 1
1 363 . 4 1 1 A 38 38 GLU CA C 38 56.503 55.169 1.334 1
1 364 . 4 1 1 A 38 38 GLU HA H 38 4.246 4.767 -0.521 1
1 365 . 4 1 1 A 38 38 GLU CB C 38 30.654 30.410 0.244 1
1 371 . 4 1 1 A 39 39 LYS N N 39 123.332 117.793 5.539 1
1 372 . 4 1 1 A 39 39 LYS H H 39 8.335 7.594 0.741 1
1 373 . 4 1 1 A 39 39 LYS CA C 39 53.992 53.388 0.604 1
1 374 . 4 1 1 A 39 39 LYS HA H 39 4.632 4.975 -0.343 1
1 375 . 4 1 1 A 39 39 LYS CB C 39 32.631 35.187 -2.556 1
1 387 . 4 1 1 A 40 40 PRO CA C 40 63.250 62.474 0.776 1
1 388 . 4 1 1 A 40 40 PRO HA H 40 4.474 4.747 -0.273 1
1 389 . 4 1 1 A 40 40 PRO CB C 40 32.174 30.143 2.031 1
1 398 . 4 1 1 A 42 42 GLY CA C 42 44.688 45.343 -0.655 1
1 399 . 4 1 1 A 42 42 GLY HA3 H 42 4.109 4.026 0.083 1
1 400 . 4 1 1 A 42 42 GLY HA2 H 42 4.169 4.024 0.145 1
1 401 . 4 1 1 A 43 43 PRO CA C 43 63.207 62.499 0.708 1
1 402 . 4 1 1 A 43 43 PRO HA H 43 4.465 4.551 -0.086 1
1 403 . 4 1 1 A 43 43 PRO CB C 43 32.213 32.388 -0.175 1
1 412 . 4 1 1 A 45 45 SER CA C 45 58.377 62.137 -3.760 1
1 413 . 4 1 1 A 45 45 SER HA H 45 4.447 4.150 0.297 1
1 414 . 4 1 1 A 45 45 SER CB C 45 64.066 63.234 0.832 1
1 415 . 4 1 1 A 45 45 SER C C 45 173.889 174.861 -0.972 1
1 1 . 5 1 1 A 8 8 THR N N 8 112.844 115.092 -2.248 1
1 2 . 5 1 1 A 8 8 THR H H 8 8.151 8.238 -0.087 1
1 3 . 5 1 1 A 8 8 THR CA C 8 61.903 62.860 -0.957 1
1 4 . 5 1 1 A 8 8 THR HA H 8 4.363 4.072 0.291 1
1 5 . 5 1 1 A 8 8 THR CB C 8 69.727 66.575 3.152 1
1 11 . 5 1 1 A 8 8 THR C C 8 175.240 174.443 0.797 1
1 12 . 5 1 1 A 9 9 GLY N N 9 111.083 111.351 -0.268 1
1 13 . 5 1 1 A 9 9 GLY H H 9 8.440 8.593 -0.153 1
1 14 . 5 1 1 A 9 9 GLY CA C 9 45.249 47.336 -2.087 1
1 15 . 5 1 1 A 9 9 GLY HA3 H 9 3.973 3.858 0.115 1
1 16 . 5 1 1 A 9 9 GLY C C 9 174.005 172.980 1.025 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 3.925 3.854 0.071 1
1 18 . 5 1 1 A 10 10 GLU N N 10 120.520 122.939 -2.419 1
1 19 . 5 1 1 A 10 10 GLU H H 10 8.187 8.456 -0.269 1
1 20 . 5 1 1 A 10 10 GLU CA C 10 56.547 55.317 1.230 1
1 21 . 5 1 1 A 10 10 GLU HA H 10 4.204 4.947 -0.743 1
1 22 . 5 1 1 A 10 10 GLU CB C 10 30.461 33.473 -3.012 1
1 28 . 5 1 1 A 11 11 LYS N N 11 122.559 124.269 -1.710 1
1 29 . 5 1 1 A 11 11 LYS H H 11 8.393 8.688 -0.295 1
1 30 . 5 1 1 A 11 11 LYS CA C 11 53.799 53.339 0.460 1
1 31 . 5 1 1 A 11 11 LYS HA H 11 4.462 4.619 -0.157 1
1 32 . 5 1 1 A 11 11 LYS CB C 11 32.248 32.717 -0.469 1
1 44 . 5 1 1 A 12 12 PRO CA C 12 63.975 64.159 -0.184 1
1 45 . 5 1 1 A 12 12 PRO HA H 12 4.191 4.240 -0.049 1
1 46 . 5 1 1 A 12 12 PRO CB C 12 32.032 31.371 0.661 1
1 51 . 5 1 1 A 12 12 PRO C C 12 176.302 175.696 0.606 1
1 55 . 5 1 1 A 13 13 TYR N N 13 117.435 117.779 -0.344 1
1 56 . 5 1 1 A 13 13 TYR H H 13 7.669 6.841 0.828 1
1 57 . 5 1 1 A 13 13 TYR CA C 13 57.269 56.590 0.679 1
1 58 . 5 1 1 A 13 13 TYR HA H 13 4.691 5.337 -0.646 1
1 59 . 5 1 1 A 13 13 TYR CB C 13 38.999 41.595 -2.596 1
1 69 . 5 1 1 A 13 13 TYR C C 13 174.478 174.020 0.458 1
1 71 . 5 1 1 A 14 14 LYS N N 14 123.791 124.863 -1.072 1
1 72 . 5 1 1 A 14 14 LYS H H 14 8.654 9.087 -0.433 1
1 73 . 5 1 1 A 14 14 LYS CA C 14 54.812 54.183 0.629 1
1 74 . 5 1 1 A 14 14 LYS HA H 14 5.127 5.071 0.056 1
1 75 . 5 1 1 A 14 14 LYS CB C 14 35.391 36.313 -0.922 1
1 82 . 5 1 1 A 14 14 LYS C C 14 175.398 175.094 0.304 1
1 87 . 5 1 1 A 15 15 CYS N N 15 126.096 123.919 2.177 1
1 88 . 5 1 1 A 15 15 CYS H H 15 9.178 9.137 0.041 1
1 89 . 5 1 1 A 15 15 CYS CA C 15 59.645 59.872 -0.227 1
1 90 . 5 1 1 A 15 15 CYS HA H 15 4.650 4.612 0.038 1
1 91 . 5 1 1 A 15 15 CYS CB C 15 30.010 28.411 1.599 1
1 93 . 5 1 1 A 15 15 CYS C C 15 177.625 175.596 2.029 1
1 95 . 5 1 1 A 16 16 GLU N N 16 115.168 126.272 -11.104 1
1 96 . 5 1 1 A 16 16 GLU H H 16 9.873 9.070 0.803 1
1 97 . 5 1 1 A 16 16 GLU CA C 16 58.804 58.267 0.537 1
1 98 . 5 1 1 A 16 16 GLU HA H 16 4.169 4.247 -0.078 1
1 99 . 5 1 1 A 16 16 GLU CB C 16 29.630 29.805 -0.175 1
1 103 . 5 1 1 A 16 16 GLU C C 16 176.727 178.635 -1.908 1
1 106 . 5 1 1 A 17 17 GLU N N 17 120.669 118.980 1.689 1
1 107 . 5 1 1 A 17 17 GLU H H 17 8.841 7.622 1.219 1
1 108 . 5 1 1 A 17 17 GLU CA C 17 58.374 58.636 -0.262 1
1 109 . 5 1 1 A 17 17 GLU HA H 17 4.246 3.970 0.276 1
1 110 . 5 1 1 A 17 17 GLU CB C 17 29.475 28.912 0.563 1
1 114 . 5 1 1 A 17 17 GLU C C 17 177.380 178.054 -0.674 1
1 117 . 5 1 1 A 18 18 CYS N N 18 114.881 114.419 0.462 1
1 118 . 5 1 1 A 18 18 CYS H H 18 8.097 7.469 0.628 1
1 119 . 5 1 1 A 18 18 CYS CA C 18 58.406 59.231 -0.825 1
1 120 . 5 1 1 A 18 18 CYS HA H 18 5.201 4.754 0.447 1
1 121 . 5 1 1 A 18 18 CYS CB C 18 32.573 30.476 2.097 1
1 123 . 5 1 1 A 18 18 CYS C C 18 176.431 175.805 0.626 1
1 125 . 5 1 1 A 19 19 GLY N N 19 113.739 109.069 4.670 1
1 126 . 5 1 1 A 19 19 GLY H H 19 8.213 8.003 0.210 1
1 127 . 5 1 1 A 19 19 GLY CA C 19 46.251 46.175 0.076 1
1 128 . 5 1 1 A 19 19 GLY HA3 H 19 4.264 4.034 0.230 1
1 129 . 5 1 1 A 19 19 GLY C C 19 173.590 174.600 -1.010 1
1 130 . 5 1 1 A 19 19 GLY HA2 H 19 3.805 4.002 -0.197 1
1 131 . 5 1 1 A 20 20 LYS N N 20 123.026 122.791 0.235 1
1 132 . 5 1 1 A 20 20 LYS H H 20 7.945 8.046 -0.101 1
1 133 . 5 1 1 A 20 20 LYS CA C 20 58.313 57.078 1.235 1
1 134 . 5 1 1 A 20 20 LYS HA H 20 3.959 4.259 -0.300 1
1 135 . 5 1 1 A 20 20 LYS CB C 20 33.856 34.484 -0.628 1
1 142 . 5 1 1 A 20 20 LYS C C 20 174.525 176.479 -1.954 1
1 147 . 5 1 1 A 21 21 GLY N N 21 108.257 106.457 1.800 1
1 148 . 5 1 1 A 21 21 GLY H H 21 7.930 7.815 0.115 1
1 149 . 5 1 1 A 21 21 GLY CA C 21 44.040 44.371 -0.331 1
1 150 . 5 1 1 A 21 21 GLY HA3 H 21 4.917 3.940 0.977 1
1 151 . 5 1 1 A 21 21 GLY C C 21 172.346 172.536 -0.190 1
1 152 . 5 1 1 A 21 21 GLY HA2 H 21 3.302 3.812 -0.510 1
1 153 . 5 1 1 A 22 22 PHE N N 22 117.898 121.406 -3.508 1
1 154 . 5 1 1 A 22 22 PHE H H 22 8.698 9.099 -0.401 1
1 155 . 5 1 1 A 22 22 PHE CA C 22 57.478 56.264 1.214 1
1 156 . 5 1 1 A 22 22 PHE HA H 22 4.736 5.115 -0.379 1
1 157 . 5 1 1 A 22 22 PHE CB C 22 43.762 43.873 -0.111 1
1 169 . 5 1 1 A 22 22 PHE C C 22 175.511 175.430 0.081 1
1 171 . 5 1 1 A 23 23 ILE N N 23 117.272 120.512 -3.240 1
1 172 . 5 1 1 A 23 23 ILE H H 23 9.358 8.797 0.561 1
1 173 . 5 1 1 A 23 23 ILE CA C 23 62.295 62.789 -0.494 1
1 174 . 5 1 1 A 23 23 ILE HA H 23 4.392 4.236 0.156 1
1 175 . 5 1 1 A 23 23 ILE CB C 23 39.428 38.521 0.907 1
1 187 . 5 1 1 A 23 23 ILE C C 23 175.245 176.658 -1.413 1
1 189 . 5 1 1 A 24 24 CYS N N 24 112.667 120.562 -7.895 1
1 190 . 5 1 1 A 24 24 CYS H H 24 7.593 7.750 -0.157 1
1 191 . 5 1 1 A 24 24 CYS CA C 24 55.415 59.327 -3.912 1
1 192 . 5 1 1 A 24 24 CYS HA H 24 4.902 4.560 0.342 1
1 193 . 5 1 1 A 24 24 CYS CB C 24 30.722 28.114 2.608 1
1 195 . 5 1 1 A 24 24 CYS C C 24 173.592 175.207 -1.615 1
1 197 . 5 1 1 A 25 25 ARG N N 25 124.960 124.020 0.940 1
1 198 . 5 1 1 A 25 25 ARG H H 25 8.413 8.781 -0.368 1
1 199 . 5 1 1 A 25 25 ARG CA C 25 59.380 59.942 -0.562 1
1 200 . 5 1 1 A 25 25 ARG HA H 25 3.000 3.549 -0.549 1
1 201 . 5 1 1 A 25 25 ARG CB C 25 29.593 29.931 -0.338 1
1 207 . 5 1 1 A 25 25 ARG C C 25 177.723 178.490 -0.767 1
1 211 . 5 1 1 A 26 26 ARG N N 26 119.340 119.936 -0.596 1
1 212 . 5 1 1 A 26 26 ARG H H 26 8.556 7.836 0.720 1
1 213 . 5 1 1 A 26 26 ARG CA C 26 59.426 59.341 0.085 1
1 214 . 5 1 1 A 26 26 ARG HA H 26 3.916 4.210 -0.294 1
1 215 . 5 1 1 A 26 26 ARG CB C 26 29.598 30.156 -0.558 1
1 221 . 5 1 1 A 26 26 ARG C C 26 178.094 177.852 0.242 1
1 225 . 5 1 1 A 27 27 ASP N N 27 119.260 119.592 -0.332 1
1 226 . 5 1 1 A 27 27 ASP H H 27 7.230 8.145 -0.915 1
1 227 . 5 1 1 A 27 27 ASP CA C 27 56.644 57.238 -0.594 1
1 228 . 5 1 1 A 27 27 ASP HA H 27 4.313 4.244 0.069 1
1 229 . 5 1 1 A 27 27 ASP CB C 27 40.265 40.895 -0.630 1
1 231 . 5 1 1 A 27 27 ASP C C 27 178.277 177.464 0.813 1
1 233 . 5 1 1 A 28 28 LEU N N 28 122.446 120.006 2.440 1
1 234 . 5 1 1 A 28 28 LEU H H 28 6.896 7.475 -0.579 1
1 235 . 5 1 1 A 28 28 LEU CA C 28 57.691 57.697 -0.006 1
1 236 . 5 1 1 A 28 28 LEU HA H 28 3.060 3.242 -0.182 1
1 237 . 5 1 1 A 28 28 LEU CB C 28 40.529 41.324 -0.795 1
1 249 . 5 1 1 A 28 28 LEU C C 28 176.873 177.716 -0.843 1
1 251 . 5 1 1 A 29 29 TYR N N 29 118.891 117.988 0.903 1
1 252 . 5 1 1 A 29 29 TYR H H 29 8.132 7.812 0.320 1
1 253 . 5 1 1 A 29 29 TYR CA C 29 59.994 60.687 -0.693 1
1 254 . 5 1 1 A 29 29 TYR HA H 29 4.244 4.295 -0.051 1
1 255 . 5 1 1 A 29 29 TYR CB C 29 36.781 38.068 -1.287 1
1 265 . 5 1 1 A 29 29 TYR C C 29 179.157 178.360 0.797 1
1 267 . 5 1 1 A 30 30 THR N N 30 115.895 115.842 0.053 1
1 268 . 5 1 1 A 30 30 THR H H 30 8.209 8.630 -0.421 1
1 269 . 5 1 1 A 30 30 THR CA C 30 66.204 66.810 -0.606 1
1 270 . 5 1 1 A 30 30 THR HA H 30 3.916 3.979 -0.063 1
1 271 . 5 1 1 A 30 30 THR CB C 30 68.718 68.763 -0.045 1
1 277 . 5 1 1 A 30 30 THR C C 30 176.781 176.541 0.240 1
1 278 . 5 1 1 A 31 31 HIS N N 31 122.097 121.617 0.480 1
1 279 . 5 1 1 A 31 31 HIS H H 31 7.587 7.744 -0.157 1
1 280 . 5 1 1 A 31 31 HIS CA C 31 59.221 59.429 -0.208 1
1 281 . 5 1 1 A 31 31 HIS HA H 31 4.204 4.272 -0.068 1
1 282 . 5 1 1 A 31 31 HIS CB C 31 28.238 29.736 -1.498 1
1 288 . 5 1 1 A 31 31 HIS C C 31 176.085 177.245 -1.160 1
1 290 . 5 1 1 A 32 32 HIS N N 32 117.054 119.147 -2.093 1
1 291 . 5 1 1 A 32 32 HIS H H 32 8.430 8.084 0.346 1
1 292 . 5 1 1 A 32 32 HIS CA C 32 59.270 59.672 -0.402 1
1 293 . 5 1 1 A 32 32 HIS HA H 32 4.057 4.079 -0.022 1
1 294 . 5 1 1 A 32 32 HIS CB C 32 30.135 30.104 0.031 1
1 300 . 5 1 1 A 32 32 HIS C C 32 176.903 177.300 -0.397 1
1 302 . 5 1 1 A 33 33 MET N N 33 115.224 118.350 -3.126 1
1 303 . 5 1 1 A 33 33 MET H H 33 7.167 7.553 -0.386 1
1 304 . 5 1 1 A 33 33 MET CA C 33 57.787 58.737 -0.950 1
1 305 . 5 1 1 A 33 33 MET HA H 33 4.232 3.901 0.331 1
1 306 . 5 1 1 A 33 33 MET CB C 33 32.279 32.510 -0.231 1
1 314 . 5 1 1 A 33 33 MET C C 33 178.493 178.188 0.305 1
1 317 . 5 1 1 A 34 34 VAL N N 34 117.328 116.831 0.497 1
1 318 . 5 1 1 A 34 34 VAL H H 34 8.026 7.718 0.308 1
1 319 . 5 1 1 A 34 34 VAL CA C 34 64.228 65.538 -1.310 1
1 320 . 5 1 1 A 34 34 VAL HA H 34 3.882 3.672 0.210 1
1 321 . 5 1 1 A 34 34 VAL CB C 34 31.061 31.209 -0.148 1
1 331 . 5 1 1 A 34 34 VAL C C 34 177.569 177.775 -0.206 1
1 332 . 5 1 1 A 35 35 HIS N N 35 117.001 120.091 -3.090 1
1 333 . 5 1 1 A 35 35 HIS H H 35 7.262 7.427 -0.165 1
1 334 . 5 1 1 A 35 35 HIS CA C 35 55.398 59.149 -3.751 1
1 335 . 5 1 1 A 35 35 HIS HA H 35 4.799 4.319 0.480 1
1 336 . 5 1 1 A 35 35 HIS CB C 35 28.605 30.147 -1.542 1
1 342 . 5 1 1 A 35 35 HIS C C 35 175.891 175.976 -0.085 1
1 344 . 5 1 1 A 36 36 THR N N 36 110.979 110.748 0.231 1
1 345 . 5 1 1 A 36 36 THR H H 36 7.665 7.841 -0.176 1
1 346 . 5 1 1 A 36 36 THR CA C 36 62.565 61.687 0.878 1
1 347 . 5 1 1 A 36 36 THR HA H 36 4.329 4.228 0.101 1
1 348 . 5 1 1 A 36 36 THR CB C 36 69.832 69.084 0.748 1
1 354 . 5 1 1 A 36 36 THR C C 36 175.484 174.755 0.729 1
1 355 . 5 1 1 A 37 37 GLY N N 37 110.523 111.634 -1.111 1
1 356 . 5 1 1 A 37 37 GLY H H 37 8.180 7.494 0.686 1
1 357 . 5 1 1 A 37 37 GLY CA C 37 45.329 46.343 -1.014 1
1 358 . 5 1 1 A 37 37 GLY HA3 H 37 4.019 3.835 0.184 1
1 359 . 5 1 1 A 37 37 GLY C C 37 174.008 173.855 0.153 1
1 360 . 5 1 1 A 37 37 GLY HA2 H 37 3.962 3.829 0.133 1
1 361 . 5 1 1 A 38 38 GLU N N 38 120.488 120.748 -0.260 1
1 362 . 5 1 1 A 38 38 GLU H H 38 8.069 7.998 0.071 1
1 363 . 5 1 1 A 38 38 GLU CA C 38 56.503 54.889 1.614 1
1 364 . 5 1 1 A 38 38 GLU HA H 38 4.246 4.665 -0.419 1
1 365 . 5 1 1 A 38 38 GLU CB C 38 30.654 31.495 -0.841 1
1 371 . 5 1 1 A 39 39 LYS N N 39 123.332 126.781 -3.449 1
1 372 . 5 1 1 A 39 39 LYS H H 39 8.335 8.425 -0.090 1
1 373 . 5 1 1 A 39 39 LYS CA C 39 53.992 54.804 -0.812 1
1 374 . 5 1 1 A 39 39 LYS HA H 39 4.632 4.456 0.176 1
1 375 . 5 1 1 A 39 39 LYS CB C 39 32.631 31.591 1.040 1
1 387 . 5 1 1 A 40 40 PRO CA C 40 63.250 62.743 0.507 1
1 388 . 5 1 1 A 40 40 PRO HA H 40 4.474 4.661 -0.187 1
1 389 . 5 1 1 A 40 40 PRO CB C 40 32.174 31.611 0.563 1
1 398 . 5 1 1 A 42 42 GLY CA C 42 44.688 45.525 -0.837 1
1 399 . 5 1 1 A 42 42 GLY HA3 H 42 4.109 4.196 -0.087 1
1 400 . 5 1 1 A 42 42 GLY HA2 H 42 4.169 4.195 -0.026 1
1 401 . 5 1 1 A 43 43 PRO CA C 43 63.207 63.404 -0.197 1
1 402 . 5 1 1 A 43 43 PRO HA H 43 4.465 4.499 -0.034 1
1 403 . 5 1 1 A 43 43 PRO CB C 43 32.213 31.997 0.216 1
1 412 . 5 1 1 A 45 45 SER CA C 45 58.377 59.356 -0.979 1
1 413 . 5 1 1 A 45 45 SER HA H 45 4.447 4.395 0.052 1
1 414 . 5 1 1 A 45 45 SER CB C 45 64.066 63.993 0.073 1
1 415 . 5 1 1 A 45 45 SER C C 45 173.889 174.869 -0.980 1
1 1 . 6 1 1 A 8 8 THR N N 8 112.844 114.889 -2.045 1
1 2 . 6 1 1 A 8 8 THR H H 8 8.151 8.043 0.108 1
1 3 . 6 1 1 A 8 8 THR CA C 8 61.903 63.500 -1.597 1
1 4 . 6 1 1 A 8 8 THR HA H 8 4.363 4.224 0.139 1
1 5 . 6 1 1 A 8 8 THR CB C 8 69.727 68.355 1.372 1
1 11 . 6 1 1 A 8 8 THR C C 8 175.240 175.073 0.167 1
1 12 . 6 1 1 A 9 9 GLY N N 9 111.083 114.127 -3.044 1
1 13 . 6 1 1 A 9 9 GLY H H 9 8.440 8.755 -0.315 1
1 14 . 6 1 1 A 9 9 GLY CA C 9 45.249 44.674 0.575 1
1 15 . 6 1 1 A 9 9 GLY HA3 H 9 3.973 4.127 -0.154 1
1 16 . 6 1 1 A 9 9 GLY C C 9 174.005 173.453 0.552 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 3.925 4.119 -0.194 1
1 18 . 6 1 1 A 10 10 GLU N N 10 120.520 122.331 -1.811 1
1 19 . 6 1 1 A 10 10 GLU H H 10 8.187 8.811 -0.624 1
1 20 . 6 1 1 A 10 10 GLU CA C 10 56.547 55.480 1.067 1
1 21 . 6 1 1 A 10 10 GLU HA H 10 4.204 4.811 -0.607 1
1 22 . 6 1 1 A 10 10 GLU CB C 10 30.461 30.530 -0.069 1
1 28 . 6 1 1 A 11 11 LYS N N 11 122.559 123.256 -0.697 1
1 29 . 6 1 1 A 11 11 LYS H H 11 8.393 8.081 0.312 1
1 30 . 6 1 1 A 11 11 LYS CA C 11 53.799 53.172 0.627 1
1 31 . 6 1 1 A 11 11 LYS HA H 11 4.462 4.812 -0.350 1
1 32 . 6 1 1 A 11 11 LYS CB C 11 32.248 34.785 -2.537 1
1 44 . 6 1 1 A 12 12 PRO CA C 12 63.975 64.332 -0.357 1
1 45 . 6 1 1 A 12 12 PRO HA H 12 4.191 4.284 -0.093 1
1 46 . 6 1 1 A 12 12 PRO CB C 12 32.032 32.037 -0.005 1
1 51 . 6 1 1 A 12 12 PRO C C 12 176.302 175.847 0.455 1
1 55 . 6 1 1 A 13 13 TYR N N 13 117.435 117.266 0.169 1
1 56 . 6 1 1 A 13 13 TYR H H 13 7.669 7.183 0.486 1
1 57 . 6 1 1 A 13 13 TYR CA C 13 57.269 56.460 0.809 1
1 58 . 6 1 1 A 13 13 TYR HA H 13 4.691 5.287 -0.596 1
1 59 . 6 1 1 A 13 13 TYR CB C 13 38.999 41.628 -2.629 1
1 69 . 6 1 1 A 13 13 TYR C C 13 174.478 174.083 0.395 1
1 71 . 6 1 1 A 14 14 LYS N N 14 123.791 124.839 -1.048 1
1 72 . 6 1 1 A 14 14 LYS H H 14 8.654 9.120 -0.466 1
1 73 . 6 1 1 A 14 14 LYS CA C 14 54.812 54.370 0.442 1
1 74 . 6 1 1 A 14 14 LYS HA H 14 5.127 5.316 -0.189 1
1 75 . 6 1 1 A 14 14 LYS CB C 14 35.391 36.278 -0.887 1
1 82 . 6 1 1 A 14 14 LYS C C 14 175.398 175.095 0.303 1
1 87 . 6 1 1 A 15 15 CYS N N 15 126.096 124.395 1.701 1
1 88 . 6 1 1 A 15 15 CYS H H 15 9.178 9.225 -0.047 1
1 89 . 6 1 1 A 15 15 CYS CA C 15 59.645 60.431 -0.786 1
1 90 . 6 1 1 A 15 15 CYS HA H 15 4.650 4.456 0.194 1
1 91 . 6 1 1 A 15 15 CYS CB C 15 30.010 28.795 1.215 1
1 93 . 6 1 1 A 15 15 CYS C C 15 177.625 176.409 1.216 1
1 95 . 6 1 1 A 16 16 GLU N N 16 115.168 128.238 -13.070 1
1 96 . 6 1 1 A 16 16 GLU H H 16 9.873 9.116 0.757 1
1 97 . 6 1 1 A 16 16 GLU CA C 16 58.804 57.113 1.691 1
1 98 . 6 1 1 A 16 16 GLU HA H 16 4.169 4.504 -0.335 1
1 99 . 6 1 1 A 16 16 GLU CB C 16 29.630 29.639 -0.009 1
1 103 . 6 1 1 A 16 16 GLU C C 16 176.727 177.894 -1.167 1
1 106 . 6 1 1 A 17 17 GLU N N 17 120.669 119.760 0.909 1
1 107 . 6 1 1 A 17 17 GLU H H 17 8.841 8.010 0.831 1
1 108 . 6 1 1 A 17 17 GLU CA C 17 58.374 57.479 0.895 1
1 109 . 6 1 1 A 17 17 GLU HA H 17 4.246 4.383 -0.137 1
1 110 . 6 1 1 A 17 17 GLU CB C 17 29.475 30.470 -0.995 1
1 114 . 6 1 1 A 17 17 GLU C C 17 177.380 178.083 -0.703 1
1 117 . 6 1 1 A 18 18 CYS N N 18 114.881 115.166 -0.285 1
1 118 . 6 1 1 A 18 18 CYS H H 18 8.097 8.147 -0.050 1
1 119 . 6 1 1 A 18 18 CYS CA C 18 58.406 59.420 -1.014 1
1 120 . 6 1 1 A 18 18 CYS HA H 18 5.201 4.782 0.419 1
1 121 . 6 1 1 A 18 18 CYS CB C 18 32.573 30.541 2.032 1
1 123 . 6 1 1 A 18 18 CYS C C 18 176.431 175.924 0.507 1
1 125 . 6 1 1 A 19 19 GLY N N 19 113.739 109.355 4.384 1
1 126 . 6 1 1 A 19 19 GLY H H 19 8.213 8.015 0.198 1
1 127 . 6 1 1 A 19 19 GLY CA C 19 46.251 46.461 -0.210 1
1 128 . 6 1 1 A 19 19 GLY HA3 H 19 4.264 4.049 0.215 1
1 129 . 6 1 1 A 19 19 GLY C C 19 173.590 174.901 -1.311 1
1 130 . 6 1 1 A 19 19 GLY HA2 H 19 3.805 4.026 -0.221 1
1 131 . 6 1 1 A 20 20 LYS N N 20 123.026 121.115 1.911 1
1 132 . 6 1 1 A 20 20 LYS H H 20 7.945 7.941 0.004 1
1 133 . 6 1 1 A 20 20 LYS CA C 20 58.313 57.249 1.064 1
1 134 . 6 1 1 A 20 20 LYS HA H 20 3.959 4.078 -0.119 1
1 135 . 6 1 1 A 20 20 LYS CB C 20 33.856 33.779 0.077 1
1 142 . 6 1 1 A 20 20 LYS C C 20 174.525 176.425 -1.900 1
1 147 . 6 1 1 A 21 21 GLY N N 21 108.257 106.326 1.931 1
1 148 . 6 1 1 A 21 21 GLY H H 21 7.930 7.832 0.098 1
1 149 . 6 1 1 A 21 21 GLY CA C 21 44.040 44.482 -0.442 1
1 150 . 6 1 1 A 21 21 GLY HA3 H 21 4.917 4.024 0.893 1
1 151 . 6 1 1 A 21 21 GLY C C 21 172.346 172.508 -0.162 1
1 152 . 6 1 1 A 21 21 GLY HA2 H 21 3.302 3.880 -0.578 1
1 153 . 6 1 1 A 22 22 PHE N N 22 117.898 120.862 -2.964 1
1 154 . 6 1 1 A 22 22 PHE H H 22 8.698 9.059 -0.361 1
1 155 . 6 1 1 A 22 22 PHE CA C 22 57.478 56.380 1.098 1
1 156 . 6 1 1 A 22 22 PHE HA H 22 4.736 5.178 -0.442 1
1 157 . 6 1 1 A 22 22 PHE CB C 22 43.762 43.908 -0.146 1
1 169 . 6 1 1 A 22 22 PHE C C 22 175.511 175.729 -0.218 1
1 171 . 6 1 1 A 23 23 ILE N N 23 117.272 120.108 -2.836 1
1 172 . 6 1 1 A 23 23 ILE H H 23 9.358 8.811 0.547 1
1 173 . 6 1 1 A 23 23 ILE CA C 23 62.295 62.589 -0.294 1
1 174 . 6 1 1 A 23 23 ILE HA H 23 4.392 4.280 0.112 1
1 175 . 6 1 1 A 23 23 ILE CB C 23 39.428 38.720 0.708 1
1 187 . 6 1 1 A 23 23 ILE C C 23 175.245 176.535 -1.290 1
1 189 . 6 1 1 A 24 24 CYS N N 24 112.667 118.480 -5.813 1
1 190 . 6 1 1 A 24 24 CYS H H 24 7.593 8.005 -0.412 1
1 191 . 6 1 1 A 24 24 CYS CA C 24 55.415 57.621 -2.206 1
1 192 . 6 1 1 A 24 24 CYS HA H 24 4.902 4.755 0.147 1
1 193 . 6 1 1 A 24 24 CYS CB C 24 30.722 31.845 -1.123 1
1 195 . 6 1 1 A 24 24 CYS C C 24 173.592 174.180 -0.588 1
1 197 . 6 1 1 A 25 25 ARG N N 25 124.960 123.029 1.931 1
1 198 . 6 1 1 A 25 25 ARG H H 25 8.413 8.552 -0.139 1
1 199 . 6 1 1 A 25 25 ARG CA C 25 59.380 58.305 1.075 1
1 200 . 6 1 1 A 25 25 ARG HA H 25 3.000 3.992 -0.992 1
1 201 . 6 1 1 A 25 25 ARG CB C 25 29.593 30.676 -1.083 1
1 207 . 6 1 1 A 25 25 ARG C C 25 177.723 178.296 -0.573 1
1 211 . 6 1 1 A 26 26 ARG N N 26 119.340 119.787 -0.447 1
1 212 . 6 1 1 A 26 26 ARG H H 26 8.556 7.890 0.666 1
1 213 . 6 1 1 A 26 26 ARG CA C 26 59.426 59.244 0.182 1
1 214 . 6 1 1 A 26 26 ARG HA H 26 3.916 3.933 -0.017 1
1 215 . 6 1 1 A 26 26 ARG CB C 26 29.598 29.999 -0.401 1
1 221 . 6 1 1 A 26 26 ARG C C 26 178.094 178.572 -0.478 1
1 225 . 6 1 1 A 27 27 ASP N N 27 119.260 119.467 -0.207 1
1 226 . 6 1 1 A 27 27 ASP H H 27 7.230 8.099 -0.869 1
1 227 . 6 1 1 A 27 27 ASP CA C 27 56.644 57.282 -0.638 1
1 228 . 6 1 1 A 27 27 ASP HA H 27 4.313 4.461 -0.148 1
1 229 . 6 1 1 A 27 27 ASP CB C 27 40.265 40.744 -0.479 1
1 231 . 6 1 1 A 27 27 ASP C C 27 178.277 178.346 -0.069 1
1 233 . 6 1 1 A 28 28 LEU N N 28 122.446 121.316 1.130 1
1 234 . 6 1 1 A 28 28 LEU H H 28 6.896 7.952 -1.056 1
1 235 . 6 1 1 A 28 28 LEU CA C 28 57.691 57.753 -0.062 1
1 236 . 6 1 1 A 28 28 LEU HA H 28 3.060 2.889 0.171 1
1 237 . 6 1 1 A 28 28 LEU CB C 28 40.529 41.434 -0.905 1
1 249 . 6 1 1 A 28 28 LEU C C 28 176.873 177.869 -0.996 1
1 251 . 6 1 1 A 29 29 TYR N N 29 118.891 118.438 0.453 1
1 252 . 6 1 1 A 29 29 TYR H H 29 8.132 8.621 -0.489 1
1 253 . 6 1 1 A 29 29 TYR CA C 29 59.994 60.417 -0.423 1
1 254 . 6 1 1 A 29 29 TYR HA H 29 4.244 4.225 0.019 1
1 255 . 6 1 1 A 29 29 TYR CB C 29 36.781 37.660 -0.879 1
1 265 . 6 1 1 A 29 29 TYR C C 29 179.157 178.550 0.607 1
1 267 . 6 1 1 A 30 30 THR N N 30 115.895 116.305 -0.410 1
1 268 . 6 1 1 A 30 30 THR H H 30 8.209 7.974 0.235 1
1 269 . 6 1 1 A 30 30 THR CA C 30 66.204 66.838 -0.634 1
1 270 . 6 1 1 A 30 30 THR HA H 30 3.916 3.971 -0.055 1
1 271 . 6 1 1 A 30 30 THR CB C 30 68.718 68.627 0.091 1
1 277 . 6 1 1 A 30 30 THR C C 30 176.781 176.233 0.548 1
1 278 . 6 1 1 A 31 31 HIS N N 31 122.097 121.967 0.130 1
1 279 . 6 1 1 A 31 31 HIS H H 31 7.587 8.128 -0.541 1
1 280 . 6 1 1 A 31 31 HIS CA C 31 59.221 59.723 -0.502 1
1 281 . 6 1 1 A 31 31 HIS HA H 31 4.204 4.414 -0.210 1
1 282 . 6 1 1 A 31 31 HIS CB C 31 28.238 30.056 -1.818 1
1 288 . 6 1 1 A 31 31 HIS C C 31 176.085 177.205 -1.120 1
1 290 . 6 1 1 A 32 32 HIS N N 32 117.054 119.295 -2.241 1
1 291 . 6 1 1 A 32 32 HIS H H 32 8.430 7.851 0.579 1
1 292 . 6 1 1 A 32 32 HIS CA C 32 59.270 59.833 -0.563 1
1 293 . 6 1 1 A 32 32 HIS HA H 32 4.057 3.996 0.061 1
1 294 . 6 1 1 A 32 32 HIS CB C 32 30.135 30.037 0.098 1
1 300 . 6 1 1 A 32 32 HIS C C 32 176.903 176.707 0.196 1
1 302 . 6 1 1 A 33 33 MET N N 33 115.224 117.912 -2.688 1
1 303 . 6 1 1 A 33 33 MET H H 33 7.167 7.945 -0.778 1
1 304 . 6 1 1 A 33 33 MET CA C 33 57.787 58.738 -0.951 1
1 305 . 6 1 1 A 33 33 MET HA H 33 4.232 3.923 0.309 1
1 306 . 6 1 1 A 33 33 MET CB C 33 32.279 32.133 0.146 1
1 314 . 6 1 1 A 33 33 MET C C 33 178.493 178.014 0.479 1
1 317 . 6 1 1 A 34 34 VAL N N 34 117.328 116.404 0.924 1
1 318 . 6 1 1 A 34 34 VAL H H 34 8.026 8.074 -0.048 1
1 319 . 6 1 1 A 34 34 VAL CA C 34 64.228 65.731 -1.503 1
1 320 . 6 1 1 A 34 34 VAL HA H 34 3.882 3.691 0.191 1
1 321 . 6 1 1 A 34 34 VAL CB C 34 31.061 31.227 -0.166 1
1 331 . 6 1 1 A 34 34 VAL C C 34 177.569 177.594 -0.025 1
1 332 . 6 1 1 A 35 35 HIS N N 35 117.001 120.267 -3.266 1
1 333 . 6 1 1 A 35 35 HIS H H 35 7.262 7.830 -0.568 1
1 334 . 6 1 1 A 35 35 HIS CA C 35 55.398 59.631 -4.233 1
1 335 . 6 1 1 A 35 35 HIS HA H 35 4.799 4.158 0.641 1
1 336 . 6 1 1 A 35 35 HIS CB C 35 28.605 30.816 -2.211 1
1 342 . 6 1 1 A 35 35 HIS C C 35 175.891 178.121 -2.230 1
1 344 . 6 1 1 A 36 36 THR N N 36 110.979 111.692 -0.713 1
1 345 . 6 1 1 A 36 36 THR H H 36 7.665 7.780 -0.115 1
1 346 . 6 1 1 A 36 36 THR CA C 36 62.565 64.578 -2.013 1
1 347 . 6 1 1 A 36 36 THR HA H 36 4.329 4.030 0.299 1
1 348 . 6 1 1 A 36 36 THR CB C 36 69.832 68.526 1.306 1
1 354 . 6 1 1 A 36 36 THR C C 36 175.484 175.647 -0.163 1
1 355 . 6 1 1 A 37 37 GLY N N 37 110.523 109.931 0.592 1
1 356 . 6 1 1 A 37 37 GLY H H 37 8.180 7.717 0.463 1
1 357 . 6 1 1 A 37 37 GLY CA C 37 45.329 45.719 -0.390 1
1 358 . 6 1 1 A 37 37 GLY HA3 H 37 4.019 3.824 0.195 1
1 359 . 6 1 1 A 37 37 GLY C C 37 174.008 173.825 0.183 1
1 360 . 6 1 1 A 37 37 GLY HA2 H 37 3.962 3.808 0.154 1
1 361 . 6 1 1 A 38 38 GLU N N 38 120.488 124.517 -4.029 1
1 362 . 6 1 1 A 38 38 GLU H H 38 8.069 8.510 -0.441 1
1 363 . 6 1 1 A 38 38 GLU CA C 38 56.503 56.728 -0.225 1
1 364 . 6 1 1 A 38 38 GLU HA H 38 4.246 4.377 -0.131 1
1 365 . 6 1 1 A 38 38 GLU CB C 38 30.654 30.032 0.622 1
1 371 . 6 1 1 A 39 39 LYS N N 39 123.332 126.715 -3.383 1
1 372 . 6 1 1 A 39 39 LYS H H 39 8.335 8.569 -0.234 1
1 373 . 6 1 1 A 39 39 LYS CA C 39 53.992 52.947 1.045 1
1 374 . 6 1 1 A 39 39 LYS HA H 39 4.632 4.747 -0.115 1
1 375 . 6 1 1 A 39 39 LYS CB C 39 32.631 33.091 -0.460 1
1 387 . 6 1 1 A 40 40 PRO CA C 40 63.250 62.408 0.842 1
1 388 . 6 1 1 A 40 40 PRO HA H 40 4.474 4.603 -0.129 1
1 389 . 6 1 1 A 40 40 PRO CB C 40 32.174 32.646 -0.472 1
1 398 . 6 1 1 A 42 42 GLY CA C 42 44.688 44.882 -0.194 1
1 399 . 6 1 1 A 42 42 GLY HA3 H 42 4.109 4.017 0.092 1
1 400 . 6 1 1 A 42 42 GLY HA2 H 42 4.169 4.016 0.153 1
1 401 . 6 1 1 A 43 43 PRO CA C 43 63.207 64.822 -1.615 1
1 402 . 6 1 1 A 43 43 PRO HA H 43 4.465 4.415 0.050 1
1 403 . 6 1 1 A 43 43 PRO CB C 43 32.213 32.076 0.137 1
1 412 . 6 1 1 A 45 45 SER CA C 45 58.377 58.282 0.095 1
1 413 . 6 1 1 A 45 45 SER HA H 45 4.447 4.740 -0.293 1
1 414 . 6 1 1 A 45 45 SER CB C 45 64.066 63.804 0.262 1
1 415 . 6 1 1 A 45 45 SER C C 45 173.889 174.524 -0.635 1
1 1 . 7 1 1 A 8 8 THR N N 8 112.844 114.356 -1.512 1
1 2 . 7 1 1 A 8 8 THR H H 8 8.151 8.290 -0.139 1
1 3 . 7 1 1 A 8 8 THR CA C 8 61.903 62.430 -0.527 1
1 4 . 7 1 1 A 8 8 THR HA H 8 4.363 4.330 0.033 1
1 5 . 7 1 1 A 8 8 THR CB C 8 69.727 68.344 1.383 1
1 11 . 7 1 1 A 8 8 THR C C 8 175.240 174.341 0.899 1
1 12 . 7 1 1 A 9 9 GLY N N 9 111.083 112.692 -1.609 1
1 13 . 7 1 1 A 9 9 GLY H H 9 8.440 8.141 0.299 1
1 14 . 7 1 1 A 9 9 GLY CA C 9 45.249 44.624 0.625 1
1 15 . 7 1 1 A 9 9 GLY HA3 H 9 3.973 4.158 -0.185 1
1 16 . 7 1 1 A 9 9 GLY C C 9 174.005 172.808 1.197 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 3.925 4.156 -0.231 1
1 18 . 7 1 1 A 10 10 GLU N N 10 120.520 121.312 -0.792 1
1 19 . 7 1 1 A 10 10 GLU H H 10 8.187 8.471 -0.284 1
1 20 . 7 1 1 A 10 10 GLU CA C 10 56.547 55.864 0.683 1
1 21 . 7 1 1 A 10 10 GLU HA H 10 4.204 4.393 -0.189 1
1 22 . 7 1 1 A 10 10 GLU CB C 10 30.461 30.009 0.452 1
1 28 . 7 1 1 A 11 11 LYS N N 11 122.559 126.287 -3.728 1
1 29 . 7 1 1 A 11 11 LYS H H 11 8.393 8.666 -0.273 1
1 30 . 7 1 1 A 11 11 LYS CA C 11 53.799 54.228 -0.429 1
1 31 . 7 1 1 A 11 11 LYS HA H 11 4.462 4.369 0.093 1
1 32 . 7 1 1 A 11 11 LYS CB C 11 32.248 31.885 0.363 1
1 44 . 7 1 1 A 12 12 PRO CA C 12 63.975 64.356 -0.381 1
1 45 . 7 1 1 A 12 12 PRO HA H 12 4.191 4.208 -0.017 1
1 46 . 7 1 1 A 12 12 PRO CB C 12 32.032 31.719 0.313 1
1 51 . 7 1 1 A 12 12 PRO C C 12 176.302 175.690 0.612 1
1 55 . 7 1 1 A 13 13 TYR N N 13 117.435 117.958 -0.523 1
1 56 . 7 1 1 A 13 13 TYR H H 13 7.669 7.089 0.580 1
1 57 . 7 1 1 A 13 13 TYR CA C 13 57.269 56.221 1.048 1
1 58 . 7 1 1 A 13 13 TYR HA H 13 4.691 5.334 -0.643 1
1 59 . 7 1 1 A 13 13 TYR CB C 13 38.999 42.919 -3.920 1
1 69 . 7 1 1 A 13 13 TYR C C 13 174.478 174.400 0.078 1
1 71 . 7 1 1 A 14 14 LYS N N 14 123.791 122.385 1.406 1
1 72 . 7 1 1 A 14 14 LYS H H 14 8.654 8.920 -0.266 1
1 73 . 7 1 1 A 14 14 LYS CA C 14 54.812 54.745 0.067 1
1 74 . 7 1 1 A 14 14 LYS HA H 14 5.127 5.144 -0.017 1
1 75 . 7 1 1 A 14 14 LYS CB C 14 35.391 36.348 -0.957 1
1 82 . 7 1 1 A 14 14 LYS C C 14 175.398 174.542 0.856 1
1 87 . 7 1 1 A 15 15 CYS N N 15 126.096 123.615 2.481 1
1 88 . 7 1 1 A 15 15 CYS H H 15 9.178 9.063 0.115 1
1 89 . 7 1 1 A 15 15 CYS CA C 15 59.645 59.385 0.260 1
1 90 . 7 1 1 A 15 15 CYS HA H 15 4.650 4.672 -0.022 1
1 91 . 7 1 1 A 15 15 CYS CB C 15 30.010 28.862 1.148 1
1 93 . 7 1 1 A 15 15 CYS C C 15 177.625 175.013 2.612 1
1 95 . 7 1 1 A 16 16 GLU N N 16 115.168 125.817 -10.649 1
1 96 . 7 1 1 A 16 16 GLU H H 16 9.873 8.980 0.893 1
1 97 . 7 1 1 A 16 16 GLU CA C 16 58.804 58.339 0.465 1
1 98 . 7 1 1 A 16 16 GLU HA H 16 4.169 4.228 -0.059 1
1 99 . 7 1 1 A 16 16 GLU CB C 16 29.630 29.801 -0.171 1
1 103 . 7 1 1 A 16 16 GLU C C 16 176.727 178.601 -1.874 1
1 106 . 7 1 1 A 17 17 GLU N N 17 120.669 119.205 1.464 1
1 107 . 7 1 1 A 17 17 GLU H H 17 8.841 7.882 0.959 1
1 108 . 7 1 1 A 17 17 GLU CA C 17 58.374 58.740 -0.366 1
1 109 . 7 1 1 A 17 17 GLU HA H 17 4.246 3.998 0.248 1
1 110 . 7 1 1 A 17 17 GLU CB C 17 29.475 28.640 0.835 1
1 114 . 7 1 1 A 17 17 GLU C C 17 177.380 178.316 -0.936 1
1 117 . 7 1 1 A 18 18 CYS N N 18 114.881 114.692 0.189 1
1 118 . 7 1 1 A 18 18 CYS H H 18 8.097 7.633 0.464 1
1 119 . 7 1 1 A 18 18 CYS CA C 18 58.406 59.346 -0.940 1
1 120 . 7 1 1 A 18 18 CYS HA H 18 5.201 4.745 0.456 1
1 121 . 7 1 1 A 18 18 CYS CB C 18 32.573 30.532 2.041 1
1 123 . 7 1 1 A 18 18 CYS C C 18 176.431 175.995 0.436 1
1 125 . 7 1 1 A 19 19 GLY N N 19 113.739 109.460 4.279 1
1 126 . 7 1 1 A 19 19 GLY H H 19 8.213 8.126 0.087 1
1 127 . 7 1 1 A 19 19 GLY CA C 19 46.251 46.655 -0.404 1
1 128 . 7 1 1 A 19 19 GLY HA3 H 19 4.264 4.010 0.254 1
1 129 . 7 1 1 A 19 19 GLY C C 19 173.590 174.779 -1.189 1
1 130 . 7 1 1 A 19 19 GLY HA2 H 19 3.805 3.980 -0.175 1
1 131 . 7 1 1 A 20 20 LYS N N 20 123.026 120.671 2.355 1
1 132 . 7 1 1 A 20 20 LYS H H 20 7.945 7.930 0.015 1
1 133 . 7 1 1 A 20 20 LYS CA C 20 58.313 57.306 1.007 1
1 134 . 7 1 1 A 20 20 LYS HA H 20 3.959 3.989 -0.030 1
1 135 . 7 1 1 A 20 20 LYS CB C 20 33.856 33.493 0.363 1
1 142 . 7 1 1 A 20 20 LYS C C 20 174.525 176.446 -1.921 1
1 147 . 7 1 1 A 21 21 GLY N N 21 108.257 106.044 2.213 1
1 148 . 7 1 1 A 21 21 GLY H H 21 7.930 7.597 0.333 1
1 149 . 7 1 1 A 21 21 GLY CA C 21 44.040 44.351 -0.311 1
1 150 . 7 1 1 A 21 21 GLY HA3 H 21 4.917 3.916 1.001 1
1 151 . 7 1 1 A 21 21 GLY C C 21 172.346 172.381 -0.035 1
1 152 . 7 1 1 A 21 21 GLY HA2 H 21 3.302 3.799 -0.497 1
1 153 . 7 1 1 A 22 22 PHE N N 22 117.898 121.436 -3.538 1
1 154 . 7 1 1 A 22 22 PHE H H 22 8.698 9.002 -0.304 1
1 155 . 7 1 1 A 22 22 PHE CA C 22 57.478 56.456 1.022 1
1 156 . 7 1 1 A 22 22 PHE HA H 22 4.736 5.262 -0.526 1
1 157 . 7 1 1 A 22 22 PHE CB C 22 43.762 43.990 -0.228 1
1 169 . 7 1 1 A 22 22 PHE C C 22 175.511 175.466 0.045 1
1 171 . 7 1 1 A 23 23 ILE N N 23 117.272 119.999 -2.727 1
1 172 . 7 1 1 A 23 23 ILE H H 23 9.358 8.731 0.627 1
1 173 . 7 1 1 A 23 23 ILE CA C 23 62.295 62.317 -0.022 1
1 174 . 7 1 1 A 23 23 ILE HA H 23 4.392 4.332 0.060 1
1 175 . 7 1 1 A 23 23 ILE CB C 23 39.428 38.870 0.558 1
1 187 . 7 1 1 A 23 23 ILE C C 23 175.245 176.202 -0.957 1
1 189 . 7 1 1 A 24 24 CYS N N 24 112.667 120.325 -7.658 1
1 190 . 7 1 1 A 24 24 CYS H H 24 7.593 7.770 -0.177 1
1 191 . 7 1 1 A 24 24 CYS CA C 24 55.415 57.844 -2.429 1
1 192 . 7 1 1 A 24 24 CYS HA H 24 4.902 4.793 0.109 1
1 193 . 7 1 1 A 24 24 CYS CB C 24 30.722 28.684 2.038 1
1 195 . 7 1 1 A 24 24 CYS C C 24 173.592 175.113 -1.521 1
1 197 . 7 1 1 A 25 25 ARG N N 25 124.960 125.450 -0.490 1
1 198 . 7 1 1 A 25 25 ARG H H 25 8.413 8.498 -0.085 1
1 199 . 7 1 1 A 25 25 ARG CA C 25 59.380 59.774 -0.394 1
1 200 . 7 1 1 A 25 25 ARG HA H 25 3.000 3.726 -0.726 1
1 201 . 7 1 1 A 25 25 ARG CB C 25 29.593 29.582 0.011 1
1 207 . 7 1 1 A 25 25 ARG C C 25 177.723 178.567 -0.844 1
1 211 . 7 1 1 A 26 26 ARG N N 26 119.340 119.621 -0.281 1
1 212 . 7 1 1 A 26 26 ARG H H 26 8.556 7.875 0.681 1
1 213 . 7 1 1 A 26 26 ARG CA C 26 59.426 59.280 0.146 1
1 214 . 7 1 1 A 26 26 ARG HA H 26 3.916 3.955 -0.039 1
1 215 . 7 1 1 A 26 26 ARG CB C 26 29.598 29.974 -0.376 1
1 221 . 7 1 1 A 26 26 ARG C C 26 178.094 178.618 -0.524 1
1 225 . 7 1 1 A 27 27 ASP N N 27 119.260 119.460 -0.200 1
1 226 . 7 1 1 A 27 27 ASP H H 27 7.230 7.936 -0.706 1
1 227 . 7 1 1 A 27 27 ASP CA C 27 56.644 57.089 -0.445 1
1 228 . 7 1 1 A 27 27 ASP HA H 27 4.313 4.322 -0.009 1
1 229 . 7 1 1 A 27 27 ASP CB C 27 40.265 40.719 -0.454 1
1 231 . 7 1 1 A 27 27 ASP C C 27 178.277 178.255 0.022 1
1 233 . 7 1 1 A 28 28 LEU N N 28 122.446 121.500 0.946 1
1 234 . 7 1 1 A 28 28 LEU H H 28 6.896 7.581 -0.685 1
1 235 . 7 1 1 A 28 28 LEU CA C 28 57.691 57.873 -0.182 1
1 236 . 7 1 1 A 28 28 LEU HA H 28 3.060 3.350 -0.290 1
1 237 . 7 1 1 A 28 28 LEU CB C 28 40.529 41.644 -1.115 1
1 249 . 7 1 1 A 28 28 LEU C C 28 176.873 177.892 -1.019 1
1 251 . 7 1 1 A 29 29 TYR N N 29 118.891 117.810 1.081 1
1 252 . 7 1 1 A 29 29 TYR H H 29 8.132 8.461 -0.329 1
1 253 . 7 1 1 A 29 29 TYR CA C 29 59.994 60.785 -0.791 1
1 254 . 7 1 1 A 29 29 TYR HA H 29 4.244 4.274 -0.030 1
1 255 . 7 1 1 A 29 29 TYR CB C 29 36.781 38.609 -1.828 1
1 265 . 7 1 1 A 29 29 TYR C C 29 179.157 178.398 0.759 1
1 267 . 7 1 1 A 30 30 THR N N 30 115.895 115.820 0.075 1
1 268 . 7 1 1 A 30 30 THR H H 30 8.209 8.238 -0.029 1
1 269 . 7 1 1 A 30 30 THR CA C 30 66.204 66.843 -0.639 1
1 270 . 7 1 1 A 30 30 THR HA H 30 3.916 3.951 -0.035 1
1 271 . 7 1 1 A 30 30 THR CB C 30 68.718 68.624 0.094 1
1 277 . 7 1 1 A 30 30 THR C C 30 176.781 176.259 0.522 1
1 278 . 7 1 1 A 31 31 HIS N N 31 122.097 120.484 1.613 1
1 279 . 7 1 1 A 31 31 HIS H H 31 7.587 8.571 -0.984 1
1 280 . 7 1 1 A 31 31 HIS CA C 31 59.221 59.472 -0.251 1
1 281 . 7 1 1 A 31 31 HIS HA H 31 4.204 4.218 -0.014 1
1 282 . 7 1 1 A 31 31 HIS CB C 31 28.238 29.672 -1.434 1
1 288 . 7 1 1 A 31 31 HIS C C 31 176.085 177.030 -0.945 1
1 290 . 7 1 1 A 32 32 HIS N N 32 117.054 119.199 -2.145 1
1 291 . 7 1 1 A 32 32 HIS H H 32 8.430 8.195 0.235 1
1 292 . 7 1 1 A 32 32 HIS CA C 32 59.270 59.709 -0.439 1
1 293 . 7 1 1 A 32 32 HIS HA H 32 4.057 3.844 0.213 1
1 294 . 7 1 1 A 32 32 HIS CB C 32 30.135 30.036 0.099 1
1 300 . 7 1 1 A 32 32 HIS C C 32 176.903 176.577 0.326 1
1 302 . 7 1 1 A 33 33 MET N N 33 115.224 117.410 -2.186 1
1 303 . 7 1 1 A 33 33 MET H H 33 7.167 8.089 -0.922 1
1 304 . 7 1 1 A 33 33 MET CA C 33 57.787 58.619 -0.832 1
1 305 . 7 1 1 A 33 33 MET HA H 33 4.232 4.051 0.181 1
1 306 . 7 1 1 A 33 33 MET CB C 33 32.279 32.293 -0.014 1
1 314 . 7 1 1 A 33 33 MET C C 33 178.493 178.143 0.350 1
1 317 . 7 1 1 A 34 34 VAL N N 34 117.328 116.892 0.436 1
1 318 . 7 1 1 A 34 34 VAL H H 34 8.026 8.129 -0.103 1
1 319 . 7 1 1 A 34 34 VAL CA C 34 64.228 65.507 -1.279 1
1 320 . 7 1 1 A 34 34 VAL HA H 34 3.882 3.733 0.149 1
1 321 . 7 1 1 A 34 34 VAL CB C 34 31.061 31.228 -0.167 1
1 331 . 7 1 1 A 34 34 VAL C C 34 177.569 177.525 0.044 1
1 332 . 7 1 1 A 35 35 HIS N N 35 117.001 120.024 -3.023 1
1 333 . 7 1 1 A 35 35 HIS H H 35 7.262 7.750 -0.488 1
1 334 . 7 1 1 A 35 35 HIS CA C 35 55.398 58.599 -3.201 1
1 335 . 7 1 1 A 35 35 HIS HA H 35 4.799 4.417 0.382 1
1 336 . 7 1 1 A 35 35 HIS CB C 35 28.605 31.043 -2.438 1
1 342 . 7 1 1 A 35 35 HIS C C 35 175.891 176.127 -0.236 1
1 344 . 7 1 1 A 36 36 THR N N 36 110.979 110.708 0.271 1
1 345 . 7 1 1 A 36 36 THR H H 36 7.665 7.593 0.072 1
1 346 . 7 1 1 A 36 36 THR CA C 36 62.565 61.489 1.076 1
1 347 . 7 1 1 A 36 36 THR HA H 36 4.329 4.237 0.092 1
1 348 . 7 1 1 A 36 36 THR CB C 36 69.832 68.871 0.961 1
1 354 . 7 1 1 A 36 36 THR C C 36 175.484 175.568 -0.084 1
1 355 . 7 1 1 A 37 37 GLY N N 37 110.523 111.447 -0.924 1
1 356 . 7 1 1 A 37 37 GLY H H 37 8.180 8.370 -0.190 1
1 357 . 7 1 1 A 37 37 GLY CA C 37 45.329 47.159 -1.830 1
1 358 . 7 1 1 A 37 37 GLY HA3 H 37 4.019 3.811 0.208 1
1 359 . 7 1 1 A 37 37 GLY C C 37 174.008 174.358 -0.350 1
1 360 . 7 1 1 A 37 37 GLY HA2 H 37 3.962 3.801 0.161 1
1 361 . 7 1 1 A 38 38 GLU N N 38 120.488 118.540 1.948 1
1 362 . 7 1 1 A 38 38 GLU H H 38 8.069 7.927 0.142 1
1 363 . 7 1 1 A 38 38 GLU CA C 38 56.503 55.218 1.285 1
1 364 . 7 1 1 A 38 38 GLU HA H 38 4.246 4.801 -0.555 1
1 365 . 7 1 1 A 38 38 GLU CB C 38 30.654 33.160 -2.506 1
1 371 . 7 1 1 A 39 39 LYS N N 39 123.332 126.473 -3.141 1
1 372 . 7 1 1 A 39 39 LYS H H 39 8.335 8.881 -0.546 1
1 373 . 7 1 1 A 39 39 LYS CA C 39 53.992 53.403 0.589 1
1 374 . 7 1 1 A 39 39 LYS HA H 39 4.632 4.689 -0.057 1
1 375 . 7 1 1 A 39 39 LYS CB C 39 32.631 32.278 0.353 1
1 387 . 7 1 1 A 40 40 PRO CA C 40 63.250 64.901 -1.651 1
1 388 . 7 1 1 A 40 40 PRO HA H 40 4.474 4.420 0.054 1
1 389 . 7 1 1 A 40 40 PRO CB C 40 32.174 32.093 0.081 1
1 398 . 7 1 1 A 42 42 GLY CA C 42 44.688 46.345 -1.657 1
1 399 . 7 1 1 A 42 42 GLY HA3 H 42 4.109 4.015 0.094 1
1 400 . 7 1 1 A 42 42 GLY HA2 H 42 4.169 4.014 0.155 1
1 401 . 7 1 1 A 43 43 PRO CA C 43 63.207 62.599 0.608 1
1 402 . 7 1 1 A 43 43 PRO HA H 43 4.465 4.603 -0.138 1
1 403 . 7 1 1 A 43 43 PRO CB C 43 32.213 30.748 1.465 1
1 412 . 7 1 1 A 45 45 SER CA C 45 58.377 57.578 0.799 1
1 413 . 7 1 1 A 45 45 SER HA H 45 4.447 4.783 -0.336 1
1 414 . 7 1 1 A 45 45 SER CB C 45 64.066 63.930 0.136 1
1 415 . 7 1 1 A 45 45 SER C C 45 173.889 174.622 -0.733 1
1 1 . 8 1 1 A 8 8 THR N N 8 112.844 115.638 -2.794 1
1 2 . 8 1 1 A 8 8 THR H H 8 8.151 8.572 -0.421 1
1 3 . 8 1 1 A 8 8 THR CA C 8 61.903 61.398 0.505 1
1 4 . 8 1 1 A 8 8 THR HA H 8 4.363 4.510 -0.147 1
1 5 . 8 1 1 A 8 8 THR CB C 8 69.727 68.594 1.133 1
1 11 . 8 1 1 A 8 8 THR C C 8 175.240 174.293 0.947 1
1 12 . 8 1 1 A 9 9 GLY N N 9 111.083 111.354 -0.271 1
1 13 . 8 1 1 A 9 9 GLY H H 9 8.440 7.830 0.610 1
1 14 . 8 1 1 A 9 9 GLY CA C 9 45.249 44.400 0.849 1
1 15 . 8 1 1 A 9 9 GLY HA3 H 9 3.973 4.042 -0.069 1
1 16 . 8 1 1 A 9 9 GLY C C 9 174.005 172.191 1.814 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 3.925 4.042 -0.117 1
1 18 . 8 1 1 A 10 10 GLU N N 10 120.520 115.415 5.105 1
1 19 . 8 1 1 A 10 10 GLU H H 10 8.187 8.447 -0.260 1
1 20 . 8 1 1 A 10 10 GLU CA C 10 56.547 55.058 1.489 1
1 21 . 8 1 1 A 10 10 GLU HA H 10 4.204 4.914 -0.710 1
1 22 . 8 1 1 A 10 10 GLU CB C 10 30.461 32.880 -2.419 1
1 28 . 8 1 1 A 11 11 LYS N N 11 122.559 122.689 -0.130 1
1 29 . 8 1 1 A 11 11 LYS H H 11 8.393 8.503 -0.110 1
1 30 . 8 1 1 A 11 11 LYS CA C 11 53.799 55.085 -1.286 1
1 31 . 8 1 1 A 11 11 LYS HA H 11 4.462 4.313 0.149 1
1 32 . 8 1 1 A 11 11 LYS CB C 11 32.248 31.849 0.399 1
1 44 . 8 1 1 A 12 12 PRO CA C 12 63.975 64.682 -0.707 1
1 45 . 8 1 1 A 12 12 PRO HA H 12 4.191 4.347 -0.156 1
1 46 . 8 1 1 A 12 12 PRO CB C 12 32.032 31.953 0.079 1
1 51 . 8 1 1 A 12 12 PRO C C 12 176.302 175.853 0.449 1
1 55 . 8 1 1 A 13 13 TYR N N 13 117.435 118.050 -0.615 1
1 56 . 8 1 1 A 13 13 TYR H H 13 7.669 7.104 0.565 1
1 57 . 8 1 1 A 13 13 TYR CA C 13 57.269 56.895 0.374 1
1 58 . 8 1 1 A 13 13 TYR HA H 13 4.691 5.352 -0.661 1
1 59 . 8 1 1 A 13 13 TYR CB C 13 38.999 41.637 -2.638 1
1 69 . 8 1 1 A 13 13 TYR C C 13 174.478 174.176 0.302 1
1 71 . 8 1 1 A 14 14 LYS N N 14 123.791 124.474 -0.683 1
1 72 . 8 1 1 A 14 14 LYS H H 14 8.654 9.144 -0.490 1
1 73 . 8 1 1 A 14 14 LYS CA C 14 54.812 54.383 0.429 1
1 74 . 8 1 1 A 14 14 LYS HA H 14 5.127 5.612 -0.485 1
1 75 . 8 1 1 A 14 14 LYS CB C 14 35.391 36.364 -0.973 1
1 82 . 8 1 1 A 14 14 LYS C C 14 175.398 174.474 0.924 1
1 87 . 8 1 1 A 15 15 CYS N N 15 126.096 123.911 2.185 1
1 88 . 8 1 1 A 15 15 CYS H H 15 9.178 9.107 0.071 1
1 89 . 8 1 1 A 15 15 CYS CA C 15 59.645 57.976 1.669 1
1 90 . 8 1 1 A 15 15 CYS HA H 15 4.650 4.821 -0.171 1
1 91 . 8 1 1 A 15 15 CYS CB C 15 30.010 29.954 0.056 1
1 93 . 8 1 1 A 15 15 CYS C C 15 177.625 175.923 1.702 1
1 95 . 8 1 1 A 16 16 GLU N N 16 115.168 127.190 -12.022 1
1 96 . 8 1 1 A 16 16 GLU H H 16 9.873 9.194 0.679 1
1 97 . 8 1 1 A 16 16 GLU CA C 16 58.804 56.911 1.893 1
1 98 . 8 1 1 A 16 16 GLU HA H 16 4.169 4.472 -0.303 1
1 99 . 8 1 1 A 16 16 GLU CB C 16 29.630 29.832 -0.202 1
1 103 . 8 1 1 A 16 16 GLU C C 16 176.727 176.779 -0.052 1
1 106 . 8 1 1 A 17 17 GLU N N 17 120.669 118.417 2.252 1
1 107 . 8 1 1 A 17 17 GLU H H 17 8.841 7.877 0.964 1
1 108 . 8 1 1 A 17 17 GLU CA C 17 58.374 58.134 0.240 1
1 109 . 8 1 1 A 17 17 GLU HA H 17 4.246 4.239 0.007 1
1 110 . 8 1 1 A 17 17 GLU CB C 17 29.475 30.172 -0.697 1
1 114 . 8 1 1 A 17 17 GLU C C 17 177.380 178.062 -0.682 1
1 117 . 8 1 1 A 18 18 CYS N N 18 114.881 114.929 -0.048 1
1 118 . 8 1 1 A 18 18 CYS H H 18 8.097 8.082 0.015 1
1 119 . 8 1 1 A 18 18 CYS CA C 18 58.406 59.615 -1.209 1
1 120 . 8 1 1 A 18 18 CYS HA H 18 5.201 4.810 0.391 1
1 121 . 8 1 1 A 18 18 CYS CB C 18 32.573 30.098 2.475 1
1 123 . 8 1 1 A 18 18 CYS C C 18 176.431 175.583 0.848 1
1 125 . 8 1 1 A 19 19 GLY N N 19 113.739 110.072 3.667 1
1 126 . 8 1 1 A 19 19 GLY H H 19 8.213 8.399 -0.186 1
1 127 . 8 1 1 A 19 19 GLY CA C 19 46.251 46.102 0.149 1
1 128 . 8 1 1 A 19 19 GLY HA3 H 19 4.264 4.070 0.194 1
1 129 . 8 1 1 A 19 19 GLY C C 19 173.590 173.702 -0.112 1
1 130 . 8 1 1 A 19 19 GLY HA2 H 19 3.805 4.052 -0.247 1
1 131 . 8 1 1 A 20 20 LYS N N 20 123.026 120.791 2.235 1
1 132 . 8 1 1 A 20 20 LYS H H 20 7.945 7.841 0.104 1
1 133 . 8 1 1 A 20 20 LYS CA C 20 58.313 54.329 3.984 1
1 134 . 8 1 1 A 20 20 LYS HA H 20 3.959 4.964 -1.005 1
1 135 . 8 1 1 A 20 20 LYS CB C 20 33.856 35.923 -2.067 1
1 142 . 8 1 1 A 20 20 LYS C C 20 174.525 174.217 0.308 1
1 147 . 8 1 1 A 21 21 GLY N N 21 108.257 111.490 -3.233 1
1 148 . 8 1 1 A 21 21 GLY H H 21 7.930 8.294 -0.364 1
1 149 . 8 1 1 A 21 21 GLY CA C 21 44.040 43.866 0.174 1
1 150 . 8 1 1 A 21 21 GLY HA3 H 21 4.917 4.172 0.745 1
1 151 . 8 1 1 A 21 21 GLY C C 21 172.346 171.922 0.424 1
1 152 . 8 1 1 A 21 21 GLY HA2 H 21 3.302 4.076 -0.774 1
1 153 . 8 1 1 A 22 22 PHE N N 22 117.898 121.854 -3.956 1
1 154 . 8 1 1 A 22 22 PHE H H 22 8.698 9.000 -0.302 1
1 155 . 8 1 1 A 22 22 PHE CA C 22 57.478 56.472 1.006 1
1 156 . 8 1 1 A 22 22 PHE HA H 22 4.736 5.132 -0.396 1
1 157 . 8 1 1 A 22 22 PHE CB C 22 43.762 43.603 0.159 1
1 169 . 8 1 1 A 22 22 PHE C C 22 175.511 175.726 -0.215 1
1 171 . 8 1 1 A 23 23 ILE N N 23 117.272 120.140 -2.868 1
1 172 . 8 1 1 A 23 23 ILE H H 23 9.358 8.748 0.610 1
1 173 . 8 1 1 A 23 23 ILE CA C 23 62.295 62.507 -0.212 1
1 174 . 8 1 1 A 23 23 ILE HA H 23 4.392 4.294 0.098 1
1 175 . 8 1 1 A 23 23 ILE CB C 23 39.428 38.565 0.863 1
1 187 . 8 1 1 A 23 23 ILE C C 23 175.245 176.121 -0.876 1
1 189 . 8 1 1 A 24 24 CYS N N 24 112.667 119.356 -6.689 1
1 190 . 8 1 1 A 24 24 CYS H H 24 7.593 7.813 -0.220 1
1 191 . 8 1 1 A 24 24 CYS CA C 24 55.415 58.042 -2.627 1
1 192 . 8 1 1 A 24 24 CYS HA H 24 4.902 4.619 0.283 1
1 193 . 8 1 1 A 24 24 CYS CB C 24 30.722 29.370 1.352 1
1 195 . 8 1 1 A 24 24 CYS C C 24 173.592 174.247 -0.655 1
1 197 . 8 1 1 A 25 25 ARG N N 25 124.960 124.358 0.602 1
1 198 . 8 1 1 A 25 25 ARG H H 25 8.413 8.731 -0.318 1
1 199 . 8 1 1 A 25 25 ARG CA C 25 59.380 59.324 0.056 1
1 200 . 8 1 1 A 25 25 ARG HA H 25 3.000 3.195 -0.195 1
1 201 . 8 1 1 A 25 25 ARG CB C 25 29.593 30.336 -0.743 1
1 207 . 8 1 1 A 25 25 ARG C C 25 177.723 178.397 -0.674 1
1 211 . 8 1 1 A 26 26 ARG N N 26 119.340 119.494 -0.154 1
1 212 . 8 1 1 A 26 26 ARG H H 26 8.556 8.036 0.520 1
1 213 . 8 1 1 A 26 26 ARG CA C 26 59.426 59.520 -0.094 1
1 214 . 8 1 1 A 26 26 ARG HA H 26 3.916 4.065 -0.149 1
1 215 . 8 1 1 A 26 26 ARG CB C 26 29.598 30.088 -0.490 1
1 221 . 8 1 1 A 26 26 ARG C C 26 178.094 178.522 -0.428 1
1 225 . 8 1 1 A 27 27 ASP N N 27 119.260 119.850 -0.590 1
1 226 . 8 1 1 A 27 27 ASP H H 27 7.230 8.115 -0.885 1
1 227 . 8 1 1 A 27 27 ASP CA C 27 56.644 57.258 -0.614 1
1 228 . 8 1 1 A 27 27 ASP HA H 27 4.313 4.276 0.037 1
1 229 . 8 1 1 A 27 27 ASP CB C 27 40.265 41.857 -1.592 1
1 231 . 8 1 1 A 27 27 ASP C C 27 178.277 177.604 0.673 1
1 233 . 8 1 1 A 28 28 LEU N N 28 122.446 119.889 2.557 1
1 234 . 8 1 1 A 28 28 LEU H H 28 6.896 7.331 -0.435 1
1 235 . 8 1 1 A 28 28 LEU CA C 28 57.691 57.871 -0.180 1
1 236 . 8 1 1 A 28 28 LEU HA H 28 3.060 2.830 0.230 1
1 237 . 8 1 1 A 28 28 LEU CB C 28 40.529 41.181 -0.652 1
1 249 . 8 1 1 A 28 28 LEU C C 28 176.873 177.555 -0.682 1
1 251 . 8 1 1 A 29 29 TYR N N 29 118.891 118.181 0.710 1
1 252 . 8 1 1 A 29 29 TYR H H 29 8.132 7.645 0.487 1
1 253 . 8 1 1 A 29 29 TYR CA C 29 59.994 60.164 -0.170 1
1 254 . 8 1 1 A 29 29 TYR HA H 29 4.244 4.233 0.011 1
1 255 . 8 1 1 A 29 29 TYR CB C 29 36.781 38.172 -1.391 1
1 265 . 8 1 1 A 29 29 TYR C C 29 179.157 178.394 0.763 1
1 267 . 8 1 1 A 30 30 THR N N 30 115.895 115.633 0.262 1
1 268 . 8 1 1 A 30 30 THR H H 30 8.209 8.497 -0.288 1
1 269 . 8 1 1 A 30 30 THR CA C 30 66.204 66.849 -0.645 1
1 270 . 8 1 1 A 30 30 THR HA H 30 3.916 3.924 -0.008 1
1 271 . 8 1 1 A 30 30 THR CB C 30 68.718 68.792 -0.074 1
1 277 . 8 1 1 A 30 30 THR C C 30 176.781 176.779 0.002 1
1 278 . 8 1 1 A 31 31 HIS N N 31 122.097 121.666 0.431 1
1 279 . 8 1 1 A 31 31 HIS H H 31 7.587 7.774 -0.187 1
1 280 . 8 1 1 A 31 31 HIS CA C 31 59.221 59.776 -0.555 1
1 281 . 8 1 1 A 31 31 HIS HA H 31 4.204 4.394 -0.190 1
1 282 . 8 1 1 A 31 31 HIS CB C 31 28.238 30.212 -1.974 1
1 288 . 8 1 1 A 31 31 HIS C C 31 176.085 177.227 -1.142 1
1 290 . 8 1 1 A 32 32 HIS N N 32 117.054 119.191 -2.137 1
1 291 . 8 1 1 A 32 32 HIS H H 32 8.430 7.980 0.450 1
1 292 . 8 1 1 A 32 32 HIS CA C 32 59.270 59.816 -0.546 1
1 293 . 8 1 1 A 32 32 HIS HA H 32 4.057 3.934 0.123 1
1 294 . 8 1 1 A 32 32 HIS CB C 32 30.135 30.140 -0.005 1
1 300 . 8 1 1 A 32 32 HIS C C 32 176.903 176.972 -0.069 1
1 302 . 8 1 1 A 33 33 MET N N 33 115.224 117.970 -2.746 1
1 303 . 8 1 1 A 33 33 MET H H 33 7.167 7.634 -0.467 1
1 304 . 8 1 1 A 33 33 MET CA C 33 57.787 58.585 -0.798 1
1 305 . 8 1 1 A 33 33 MET HA H 33 4.232 3.884 0.348 1
1 306 . 8 1 1 A 33 33 MET CB C 33 32.279 32.032 0.247 1
1 314 . 8 1 1 A 33 33 MET C C 33 178.493 178.195 0.298 1
1 317 . 8 1 1 A 34 34 VAL N N 34 117.328 115.977 1.351 1
1 318 . 8 1 1 A 34 34 VAL H H 34 8.026 8.037 -0.011 1
1 319 . 8 1 1 A 34 34 VAL CA C 34 64.228 65.938 -1.710 1
1 320 . 8 1 1 A 34 34 VAL HA H 34 3.882 3.790 0.092 1
1 321 . 8 1 1 A 34 34 VAL CB C 34 31.061 31.160 -0.099 1
1 331 . 8 1 1 A 34 34 VAL C C 34 177.569 177.963 -0.394 1
1 332 . 8 1 1 A 35 35 HIS N N 35 117.001 120.470 -3.469 1
1 333 . 8 1 1 A 35 35 HIS H H 35 7.262 8.115 -0.853 1
1 334 . 8 1 1 A 35 35 HIS CA C 35 55.398 59.936 -4.538 1
1 335 . 8 1 1 A 35 35 HIS HA H 35 4.799 4.172 0.627 1
1 336 . 8 1 1 A 35 35 HIS CB C 35 28.605 30.823 -2.218 1
1 342 . 8 1 1 A 35 35 HIS C C 35 175.891 177.071 -1.180 1
1 344 . 8 1 1 A 36 36 THR N N 36 110.979 114.138 -3.159 1
1 345 . 8 1 1 A 36 36 THR H H 36 7.665 7.938 -0.273 1
1 346 . 8 1 1 A 36 36 THR CA C 36 62.565 64.392 -1.827 1
1 347 . 8 1 1 A 36 36 THR HA H 36 4.329 4.137 0.192 1
1 348 . 8 1 1 A 36 36 THR CB C 36 69.832 69.413 0.419 1
1 354 . 8 1 1 A 36 36 THR C C 36 175.484 175.356 0.128 1
1 355 . 8 1 1 A 37 37 GLY N N 37 110.523 107.761 2.762 1
1 356 . 8 1 1 A 37 37 GLY H H 37 8.180 8.195 -0.015 1
1 357 . 8 1 1 A 37 37 GLY CA C 37 45.329 46.881 -1.552 1
1 358 . 8 1 1 A 37 37 GLY HA3 H 37 4.019 3.889 0.130 1
1 359 . 8 1 1 A 37 37 GLY C C 37 174.008 173.090 0.918 1
1 360 . 8 1 1 A 37 37 GLY HA2 H 37 3.962 3.885 0.077 1
1 361 . 8 1 1 A 38 38 GLU N N 38 120.488 122.540 -2.052 1
1 362 . 8 1 1 A 38 38 GLU H H 38 8.069 7.863 0.206 1
1 363 . 8 1 1 A 38 38 GLU CA C 38 56.503 55.718 0.785 1
1 364 . 8 1 1 A 38 38 GLU HA H 38 4.246 4.796 -0.550 1
1 365 . 8 1 1 A 38 38 GLU CB C 38 30.654 34.185 -3.531 1
1 371 . 8 1 1 A 39 39 LYS N N 39 123.332 124.994 -1.662 1
1 372 . 8 1 1 A 39 39 LYS H H 39 8.335 8.426 -0.091 1
1 373 . 8 1 1 A 39 39 LYS CA C 39 53.992 53.457 0.535 1
1 374 . 8 1 1 A 39 39 LYS HA H 39 4.632 4.734 -0.102 1
1 375 . 8 1 1 A 39 39 LYS CB C 39 32.631 32.658 -0.027 1
1 387 . 8 1 1 A 40 40 PRO CA C 40 63.250 62.916 0.334 1
1 388 . 8 1 1 A 40 40 PRO HA H 40 4.474 4.663 -0.189 1
1 389 . 8 1 1 A 40 40 PRO CB C 40 32.174 31.664 0.510 1
1 398 . 8 1 1 A 42 42 GLY CA C 42 44.688 46.083 -1.395 1
1 399 . 8 1 1 A 42 42 GLY HA3 H 42 4.109 4.226 -0.117 1
1 400 . 8 1 1 A 42 42 GLY HA2 H 42 4.169 4.224 -0.055 1
1 401 . 8 1 1 A 43 43 PRO CA C 43 63.207 64.599 -1.392 1
1 402 . 8 1 1 A 43 43 PRO HA H 43 4.465 4.405 0.060 1
1 403 . 8 1 1 A 43 43 PRO CB C 43 32.213 31.577 0.636 1
1 412 . 8 1 1 A 45 45 SER CA C 45 58.377 57.369 1.008 1
1 413 . 8 1 1 A 45 45 SER HA H 45 4.447 5.029 -0.582 1
1 414 . 8 1 1 A 45 45 SER CB C 45 64.066 62.941 1.125 1
1 415 . 8 1 1 A 45 45 SER C C 45 173.889 174.204 -0.315 1
1 1 . 9 1 1 A 8 8 THR N N 8 112.844 111.103 1.741 1
1 2 . 9 1 1 A 8 8 THR H H 8 8.151 7.719 0.432 1
1 3 . 9 1 1 A 8 8 THR CA C 8 61.903 61.207 0.696 1
1 4 . 9 1 1 A 8 8 THR HA H 8 4.363 4.382 -0.019 1
1 5 . 9 1 1 A 8 8 THR CB C 8 69.727 68.783 0.944 1
1 11 . 9 1 1 A 8 8 THR C C 8 175.240 174.800 0.440 1
1 12 . 9 1 1 A 9 9 GLY N N 9 111.083 111.611 -0.528 1
1 13 . 9 1 1 A 9 9 GLY H H 9 8.440 8.755 -0.315 1
1 14 . 9 1 1 A 9 9 GLY CA C 9 45.249 44.380 0.869 1
1 15 . 9 1 1 A 9 9 GLY HA3 H 9 3.973 4.041 -0.068 1
1 16 . 9 1 1 A 9 9 GLY C C 9 174.005 173.151 0.854 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 3.925 4.039 -0.114 1
1 18 . 9 1 1 A 10 10 GLU N N 10 120.520 119.190 1.330 1
1 19 . 9 1 1 A 10 10 GLU H H 10 8.187 8.459 -0.272 1
1 20 . 9 1 1 A 10 10 GLU CA C 10 56.547 55.369 1.178 1
1 21 . 9 1 1 A 10 10 GLU HA H 10 4.204 5.096 -0.892 1
1 22 . 9 1 1 A 10 10 GLU CB C 10 30.461 31.950 -1.489 1
1 28 . 9 1 1 A 11 11 LYS N N 11 122.559 122.559 0.000 1
1 29 . 9 1 1 A 11 11 LYS H H 11 8.393 8.798 -0.405 1
1 30 . 9 1 1 A 11 11 LYS CA C 11 53.799 53.138 0.661 1
1 31 . 9 1 1 A 11 11 LYS HA H 11 4.462 4.685 -0.223 1
1 32 . 9 1 1 A 11 11 LYS CB C 11 32.248 33.028 -0.780 1
1 44 . 9 1 1 A 12 12 PRO CA C 12 63.975 64.510 -0.535 1
1 45 . 9 1 1 A 12 12 PRO HA H 12 4.191 4.206 -0.015 1
1 46 . 9 1 1 A 12 12 PRO CB C 12 32.032 31.736 0.296 1
1 51 . 9 1 1 A 12 12 PRO C C 12 176.302 175.788 0.514 1
1 55 . 9 1 1 A 13 13 TYR N N 13 117.435 117.986 -0.551 1
1 56 . 9 1 1 A 13 13 TYR H H 13 7.669 6.995 0.674 1
1 57 . 9 1 1 A 13 13 TYR CA C 13 57.269 56.956 0.313 1
1 58 . 9 1 1 A 13 13 TYR HA H 13 4.691 5.337 -0.646 1
1 59 . 9 1 1 A 13 13 TYR CB C 13 38.999 41.524 -2.525 1
1 69 . 9 1 1 A 13 13 TYR C C 13 174.478 174.140 0.338 1
1 71 . 9 1 1 A 14 14 LYS N N 14 123.791 124.672 -0.881 1
1 72 . 9 1 1 A 14 14 LYS H H 14 8.654 9.220 -0.566 1
1 73 . 9 1 1 A 14 14 LYS CA C 14 54.812 54.135 0.677 1
1 74 . 9 1 1 A 14 14 LYS HA H 14 5.127 5.094 0.033 1
1 75 . 9 1 1 A 14 14 LYS CB C 14 35.391 36.136 -0.745 1
1 82 . 9 1 1 A 14 14 LYS C C 14 175.398 175.094 0.304 1
1 87 . 9 1 1 A 15 15 CYS N N 15 126.096 124.316 1.780 1
1 88 . 9 1 1 A 15 15 CYS H H 15 9.178 9.144 0.034 1
1 89 . 9 1 1 A 15 15 CYS CA C 15 59.645 59.625 0.020 1
1 90 . 9 1 1 A 15 15 CYS HA H 15 4.650 4.644 0.006 1
1 91 . 9 1 1 A 15 15 CYS CB C 15 30.010 28.724 1.286 1
1 93 . 9 1 1 A 15 15 CYS C C 15 177.625 174.825 2.800 1
1 95 . 9 1 1 A 16 16 GLU N N 16 115.168 126.175 -11.007 1
1 96 . 9 1 1 A 16 16 GLU H H 16 9.873 9.203 0.670 1
1 97 . 9 1 1 A 16 16 GLU CA C 16 58.804 57.630 1.174 1
1 98 . 9 1 1 A 16 16 GLU HA H 16 4.169 4.411 -0.242 1
1 99 . 9 1 1 A 16 16 GLU CB C 16 29.630 30.324 -0.694 1
1 103 . 9 1 1 A 16 16 GLU C C 16 176.727 178.818 -2.091 1
1 106 . 9 1 1 A 17 17 GLU N N 17 120.669 120.499 0.170 1
1 107 . 9 1 1 A 17 17 GLU H H 17 8.841 7.838 1.003 1
1 108 . 9 1 1 A 17 17 GLU CA C 17 58.374 58.709 -0.335 1
1 109 . 9 1 1 A 17 17 GLU HA H 17 4.246 4.020 0.226 1
1 110 . 9 1 1 A 17 17 GLU CB C 17 29.475 28.928 0.547 1
1 114 . 9 1 1 A 17 17 GLU C C 17 177.380 178.268 -0.888 1
1 117 . 9 1 1 A 18 18 CYS N N 18 114.881 114.578 0.303 1
1 118 . 9 1 1 A 18 18 CYS H H 18 8.097 7.581 0.516 1
1 119 . 9 1 1 A 18 18 CYS CA C 18 58.406 59.265 -0.859 1
1 120 . 9 1 1 A 18 18 CYS HA H 18 5.201 4.771 0.430 1
1 121 . 9 1 1 A 18 18 CYS CB C 18 32.573 30.605 1.968 1
1 123 . 9 1 1 A 18 18 CYS C C 18 176.431 175.856 0.575 1
1 125 . 9 1 1 A 19 19 GLY N N 19 113.739 109.218 4.521 1
1 126 . 9 1 1 A 19 19 GLY H H 19 8.213 8.155 0.058 1
1 127 . 9 1 1 A 19 19 GLY CA C 19 46.251 46.683 -0.432 1
1 128 . 9 1 1 A 19 19 GLY HA3 H 19 4.264 4.030 0.234 1
1 129 . 9 1 1 A 19 19 GLY C C 19 173.590 174.656 -1.066 1
1 130 . 9 1 1 A 19 19 GLY HA2 H 19 3.805 3.997 -0.192 1
1 131 . 9 1 1 A 20 20 LYS N N 20 123.026 120.559 2.467 1
1 132 . 9 1 1 A 20 20 LYS H H 20 7.945 7.968 -0.023 1
1 133 . 9 1 1 A 20 20 LYS CA C 20 58.313 57.337 0.976 1
1 134 . 9 1 1 A 20 20 LYS HA H 20 3.959 4.071 -0.112 1
1 135 . 9 1 1 A 20 20 LYS CB C 20 33.856 33.744 0.112 1
1 142 . 9 1 1 A 20 20 LYS C C 20 174.525 176.488 -1.963 1
1 147 . 9 1 1 A 21 21 GLY N N 21 108.257 106.296 1.961 1
1 148 . 9 1 1 A 21 21 GLY H H 21 7.930 7.669 0.261 1
1 149 . 9 1 1 A 21 21 GLY CA C 21 44.040 44.400 -0.360 1
1 150 . 9 1 1 A 21 21 GLY HA3 H 21 4.917 3.960 0.957 1
1 151 . 9 1 1 A 21 21 GLY C C 21 172.346 172.279 0.067 1
1 152 . 9 1 1 A 21 21 GLY HA2 H 21 3.302 3.834 -0.532 1
1 153 . 9 1 1 A 22 22 PHE N N 22 117.898 121.328 -3.430 1
1 154 . 9 1 1 A 22 22 PHE H H 22 8.698 9.018 -0.320 1
1 155 . 9 1 1 A 22 22 PHE CA C 22 57.478 56.284 1.194 1
1 156 . 9 1 1 A 22 22 PHE HA H 22 4.736 5.129 -0.393 1
1 157 . 9 1 1 A 22 22 PHE CB C 22 43.762 43.743 0.019 1
1 169 . 9 1 1 A 22 22 PHE C C 22 175.511 175.532 -0.021 1
1 171 . 9 1 1 A 23 23 ILE N N 23 117.272 120.629 -3.357 1
1 172 . 9 1 1 A 23 23 ILE H H 23 9.358 8.735 0.623 1
1 173 . 9 1 1 A 23 23 ILE CA C 23 62.295 62.841 -0.546 1
1 174 . 9 1 1 A 23 23 ILE HA H 23 4.392 4.238 0.154 1
1 175 . 9 1 1 A 23 23 ILE CB C 23 39.428 38.729 0.699 1
1 187 . 9 1 1 A 23 23 ILE C C 23 175.245 176.226 -0.981 1
1 189 . 9 1 1 A 24 24 CYS N N 24 112.667 120.003 -7.336 1
1 190 . 9 1 1 A 24 24 CYS H H 24 7.593 7.847 -0.254 1
1 191 . 9 1 1 A 24 24 CYS CA C 24 55.415 58.296 -2.881 1
1 192 . 9 1 1 A 24 24 CYS HA H 24 4.902 4.771 0.131 1
1 193 . 9 1 1 A 24 24 CYS CB C 24 30.722 29.024 1.698 1
1 195 . 9 1 1 A 24 24 CYS C C 24 173.592 175.026 -1.434 1
1 197 . 9 1 1 A 25 25 ARG N N 25 124.960 123.885 1.075 1
1 198 . 9 1 1 A 25 25 ARG H H 25 8.413 8.649 -0.236 1
1 199 . 9 1 1 A 25 25 ARG CA C 25 59.380 59.619 -0.239 1
1 200 . 9 1 1 A 25 25 ARG HA H 25 3.000 3.295 -0.295 1
1 201 . 9 1 1 A 25 25 ARG CB C 25 29.593 29.728 -0.135 1
1 207 . 9 1 1 A 25 25 ARG C C 25 177.723 178.166 -0.443 1
1 211 . 9 1 1 A 26 26 ARG N N 26 119.340 119.875 -0.535 1
1 212 . 9 1 1 A 26 26 ARG H H 26 8.556 7.864 0.692 1
1 213 . 9 1 1 A 26 26 ARG CA C 26 59.426 59.362 0.064 1
1 214 . 9 1 1 A 26 26 ARG HA H 26 3.916 4.125 -0.209 1
1 215 . 9 1 1 A 26 26 ARG CB C 26 29.598 30.003 -0.405 1
1 221 . 9 1 1 A 26 26 ARG C C 26 178.094 177.892 0.202 1
1 225 . 9 1 1 A 27 27 ASP N N 27 119.260 119.552 -0.292 1
1 226 . 9 1 1 A 27 27 ASP H H 27 7.230 8.182 -0.952 1
1 227 . 9 1 1 A 27 27 ASP CA C 27 56.644 57.347 -0.703 1
1 228 . 9 1 1 A 27 27 ASP HA H 27 4.313 4.261 0.052 1
1 229 . 9 1 1 A 27 27 ASP CB C 27 40.265 41.812 -1.547 1
1 231 . 9 1 1 A 27 27 ASP C C 27 178.277 177.571 0.706 1
1 233 . 9 1 1 A 28 28 LEU N N 28 122.446 120.024 2.422 1
1 234 . 9 1 1 A 28 28 LEU H H 28 6.896 7.843 -0.947 1
1 235 . 9 1 1 A 28 28 LEU CA C 28 57.691 58.040 -0.349 1
1 236 . 9 1 1 A 28 28 LEU HA H 28 3.060 3.075 -0.015 1
1 237 . 9 1 1 A 28 28 LEU CB C 28 40.529 41.330 -0.801 1
1 249 . 9 1 1 A 28 28 LEU C C 28 176.873 177.642 -0.769 1
1 251 . 9 1 1 A 29 29 TYR N N 29 118.891 118.403 0.488 1
1 252 . 9 1 1 A 29 29 TYR H H 29 8.132 7.457 0.675 1
1 253 . 9 1 1 A 29 29 TYR CA C 29 59.994 60.416 -0.422 1
1 254 . 9 1 1 A 29 29 TYR HA H 29 4.244 4.211 0.033 1
1 255 . 9 1 1 A 29 29 TYR CB C 29 36.781 38.217 -1.436 1
1 265 . 9 1 1 A 29 29 TYR C C 29 179.157 178.384 0.773 1
1 267 . 9 1 1 A 30 30 THR N N 30 115.895 115.350 0.545 1
1 268 . 9 1 1 A 30 30 THR H H 30 8.209 7.991 0.218 1
1 269 . 9 1 1 A 30 30 THR CA C 30 66.204 67.142 -0.938 1
1 270 . 9 1 1 A 30 30 THR HA H 30 3.916 3.968 -0.052 1
1 271 . 9 1 1 A 30 30 THR CB C 30 68.718 68.447 0.271 1
1 277 . 9 1 1 A 30 30 THR C C 30 176.781 176.020 0.761 1
1 278 . 9 1 1 A 31 31 HIS N N 31 122.097 121.588 0.509 1
1 279 . 9 1 1 A 31 31 HIS H H 31 7.587 8.235 -0.648 1
1 280 . 9 1 1 A 31 31 HIS CA C 31 59.221 59.440 -0.219 1
1 281 . 9 1 1 A 31 31 HIS HA H 31 4.204 4.226 -0.022 1
1 282 . 9 1 1 A 31 31 HIS CB C 31 28.238 29.633 -1.395 1
1 288 . 9 1 1 A 31 31 HIS C C 31 176.085 177.044 -0.959 1
1 290 . 9 1 1 A 32 32 HIS N N 32 117.054 119.131 -2.077 1
1 291 . 9 1 1 A 32 32 HIS H H 32 8.430 7.864 0.566 1
1 292 . 9 1 1 A 32 32 HIS CA C 32 59.270 59.868 -0.598 1
1 293 . 9 1 1 A 32 32 HIS HA H 32 4.057 4.061 -0.004 1
1 294 . 9 1 1 A 32 32 HIS CB C 32 30.135 29.946 0.189 1
1 300 . 9 1 1 A 32 32 HIS C C 32 176.903 177.213 -0.310 1
1 302 . 9 1 1 A 33 33 MET N N 33 115.224 118.300 -3.076 1
1 303 . 9 1 1 A 33 33 MET H H 33 7.167 8.211 -1.044 1
1 304 . 9 1 1 A 33 33 MET CA C 33 57.787 58.625 -0.838 1
1 305 . 9 1 1 A 33 33 MET HA H 33 4.232 4.128 0.104 1
1 306 . 9 1 1 A 33 33 MET CB C 33 32.279 32.279 0.000 1
1 314 . 9 1 1 A 33 33 MET C C 33 178.493 178.204 0.289 1
1 317 . 9 1 1 A 34 34 VAL N N 34 117.328 116.989 0.339 1
1 318 . 9 1 1 A 34 34 VAL H H 34 8.026 7.917 0.109 1
1 319 . 9 1 1 A 34 34 VAL CA C 34 64.228 65.656 -1.428 1
1 320 . 9 1 1 A 34 34 VAL HA H 34 3.882 3.685 0.197 1
1 321 . 9 1 1 A 34 34 VAL CB C 34 31.061 31.061 0.000 1
1 331 . 9 1 1 A 34 34 VAL C C 34 177.569 178.192 -0.623 1
1 332 . 9 1 1 A 35 35 HIS N N 35 117.001 120.156 -3.155 1
1 333 . 9 1 1 A 35 35 HIS H H 35 7.262 7.590 -0.328 1
1 334 . 9 1 1 A 35 35 HIS CA C 35 55.398 59.720 -4.322 1
1 335 . 9 1 1 A 35 35 HIS HA H 35 4.799 4.176 0.623 1
1 336 . 9 1 1 A 35 35 HIS CB C 35 28.605 30.446 -1.841 1
1 342 . 9 1 1 A 35 35 HIS C C 35 175.891 176.173 -0.282 1
1 344 . 9 1 1 A 36 36 THR N N 36 110.979 107.842 3.137 1
1 345 . 9 1 1 A 36 36 THR H H 36 7.665 7.505 0.160 1
1 346 . 9 1 1 A 36 36 THR CA C 36 62.565 61.815 0.750 1
1 347 . 9 1 1 A 36 36 THR HA H 36 4.329 4.232 0.097 1
1 348 . 9 1 1 A 36 36 THR CB C 36 69.832 68.863 0.969 1
1 354 . 9 1 1 A 36 36 THR C C 36 175.484 174.180 1.304 1
1 355 . 9 1 1 A 37 37 GLY N N 37 110.523 110.088 0.435 1
1 356 . 9 1 1 A 37 37 GLY H H 37 8.180 7.351 0.829 1
1 357 . 9 1 1 A 37 37 GLY CA C 37 45.329 44.872 0.457 1
1 358 . 9 1 1 A 37 37 GLY HA3 H 37 4.019 4.282 -0.263 1
1 359 . 9 1 1 A 37 37 GLY C C 37 174.008 173.298 0.710 1
1 360 . 9 1 1 A 37 37 GLY HA2 H 37 3.962 4.271 -0.309 1
1 361 . 9 1 1 A 38 38 GLU N N 38 120.488 126.802 -6.314 1
1 362 . 9 1 1 A 38 38 GLU H H 38 8.069 8.932 -0.863 1
1 363 . 9 1 1 A 38 38 GLU CA C 38 56.503 56.755 -0.252 1
1 364 . 9 1 1 A 38 38 GLU HA H 38 4.246 4.384 -0.138 1
1 365 . 9 1 1 A 38 38 GLU CB C 38 30.654 30.754 -0.100 1
1 371 . 9 1 1 A 39 39 LYS N N 39 123.332 122.588 0.744 1
1 372 . 9 1 1 A 39 39 LYS H H 39 8.335 8.758 -0.423 1
1 373 . 9 1 1 A 39 39 LYS CA C 39 53.992 54.569 -0.577 1
1 374 . 9 1 1 A 39 39 LYS HA H 39 4.632 4.878 -0.246 1
1 375 . 9 1 1 A 39 39 LYS CB C 39 32.631 35.621 -2.990 1
1 387 . 9 1 1 A 40 40 PRO CA C 40 63.250 62.700 0.550 1
1 388 . 9 1 1 A 40 40 PRO HA H 40 4.474 4.744 -0.270 1
1 389 . 9 1 1 A 40 40 PRO CB C 40 32.174 31.715 0.459 1
1 398 . 9 1 1 A 42 42 GLY CA C 42 44.688 45.207 -0.519 1
1 399 . 9 1 1 A 42 42 GLY HA3 H 42 4.109 4.032 0.077 1
1 400 . 9 1 1 A 42 42 GLY HA2 H 42 4.169 4.031 0.138 1
1 401 . 9 1 1 A 43 43 PRO CA C 43 63.207 63.958 -0.751 1
1 402 . 9 1 1 A 43 43 PRO HA H 43 4.465 4.524 -0.059 1
1 403 . 9 1 1 A 43 43 PRO CB C 43 32.213 31.962 0.251 1
1 412 . 9 1 1 A 45 45 SER CA C 45 58.377 59.999 -1.622 1
1 413 . 9 1 1 A 45 45 SER HA H 45 4.447 4.401 0.046 1
1 414 . 9 1 1 A 45 45 SER CB C 45 64.066 62.599 1.467 1
1 415 . 9 1 1 A 45 45 SER C C 45 173.889 175.325 -1.436 1
1 1 . 10 1 1 A 8 8 THR N N 8 112.844 111.196 1.648 1
1 2 . 10 1 1 A 8 8 THR H H 8 8.151 8.739 -0.588 1
1 3 . 10 1 1 A 8 8 THR CA C 8 61.903 59.234 2.669 1
1 4 . 10 1 1 A 8 8 THR HA H 8 4.363 5.206 -0.843 1
1 5 . 10 1 1 A 8 8 THR CB C 8 69.727 72.016 -2.289 1
1 11 . 10 1 1 A 8 8 THR C C 8 175.240 174.043 1.197 1
1 12 . 10 1 1 A 9 9 GLY N N 9 111.083 108.955 2.128 1
1 13 . 10 1 1 A 9 9 GLY H H 9 8.440 8.490 -0.050 1
1 14 . 10 1 1 A 9 9 GLY CA C 9 45.249 45.697 -0.448 1
1 15 . 10 1 1 A 9 9 GLY HA3 H 9 3.973 3.982 -0.009 1
1 16 . 10 1 1 A 9 9 GLY C C 9 174.005 173.198 0.807 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 3.925 3.977 -0.052 1
1 18 . 10 1 1 A 10 10 GLU N N 10 120.520 121.614 -1.094 1
1 19 . 10 1 1 A 10 10 GLU H H 10 8.187 8.462 -0.275 1
1 20 . 10 1 1 A 10 10 GLU CA C 10 56.547 55.802 0.745 1
1 21 . 10 1 1 A 10 10 GLU HA H 10 4.204 4.534 -0.330 1
1 22 . 10 1 1 A 10 10 GLU CB C 10 30.461 29.821 0.640 1
1 28 . 10 1 1 A 11 11 LYS N N 11 122.559 125.486 -2.927 1
1 29 . 10 1 1 A 11 11 LYS H H 11 8.393 8.720 -0.327 1
1 30 . 10 1 1 A 11 11 LYS CA C 11 53.799 53.282 0.517 1
1 31 . 10 1 1 A 11 11 LYS HA H 11 4.462 4.688 -0.226 1
1 32 . 10 1 1 A 11 11 LYS CB C 11 32.248 32.533 -0.285 1
1 44 . 10 1 1 A 12 12 PRO CA C 12 63.975 64.137 -0.162 1
1 45 . 10 1 1 A 12 12 PRO HA H 12 4.191 4.274 -0.083 1
1 46 . 10 1 1 A 12 12 PRO CB C 12 32.032 31.394 0.638 1
1 51 . 10 1 1 A 12 12 PRO C C 12 176.302 175.642 0.660 1
1 55 . 10 1 1 A 13 13 TYR N N 13 117.435 118.173 -0.738 1
1 56 . 10 1 1 A 13 13 TYR H H 13 7.669 7.061 0.608 1
1 57 . 10 1 1 A 13 13 TYR CA C 13 57.269 56.524 0.745 1
1 58 . 10 1 1 A 13 13 TYR HA H 13 4.691 5.379 -0.688 1
1 59 . 10 1 1 A 13 13 TYR CB C 13 38.999 42.551 -3.552 1
1 69 . 10 1 1 A 13 13 TYR C C 13 174.478 173.991 0.487 1
1 71 . 10 1 1 A 14 14 LYS N N 14 123.791 124.154 -0.363 1
1 72 . 10 1 1 A 14 14 LYS H H 14 8.654 9.190 -0.536 1
1 73 . 10 1 1 A 14 14 LYS CA C 14 54.812 54.268 0.544 1
1 74 . 10 1 1 A 14 14 LYS HA H 14 5.127 5.008 0.119 1
1 75 . 10 1 1 A 14 14 LYS CB C 14 35.391 36.185 -0.794 1
1 82 . 10 1 1 A 14 14 LYS C C 14 175.398 174.890 0.508 1
1 87 . 10 1 1 A 15 15 CYS N N 15 126.096 124.292 1.804 1
1 88 . 10 1 1 A 15 15 CYS H H 15 9.178 8.993 0.185 1
1 89 . 10 1 1 A 15 15 CYS CA C 15 59.645 59.527 0.118 1
1 90 . 10 1 1 A 15 15 CYS HA H 15 4.650 4.700 -0.050 1
1 91 . 10 1 1 A 15 15 CYS CB C 15 30.010 28.822 1.188 1
1 93 . 10 1 1 A 15 15 CYS C C 15 177.625 174.809 2.816 1
1 95 . 10 1 1 A 16 16 GLU N N 16 115.168 125.848 -10.680 1
1 96 . 10 1 1 A 16 16 GLU H H 16 9.873 9.060 0.813 1
1 97 . 10 1 1 A 16 16 GLU CA C 16 58.804 58.327 0.477 1
1 98 . 10 1 1 A 16 16 GLU HA H 16 4.169 4.288 -0.119 1
1 99 . 10 1 1 A 16 16 GLU CB C 16 29.630 29.933 -0.303 1
1 103 . 10 1 1 A 16 16 GLU C C 16 176.727 178.758 -2.031 1
1 106 . 10 1 1 A 17 17 GLU N N 17 120.669 119.183 1.486 1
1 107 . 10 1 1 A 17 17 GLU H H 17 8.841 7.972 0.869 1
1 108 . 10 1 1 A 17 17 GLU CA C 17 58.374 58.677 -0.303 1
1 109 . 10 1 1 A 17 17 GLU HA H 17 4.246 3.986 0.260 1
1 110 . 10 1 1 A 17 17 GLU CB C 17 29.475 28.952 0.523 1
1 114 . 10 1 1 A 17 17 GLU C C 17 177.380 178.230 -0.850 1
1 117 . 10 1 1 A 18 18 CYS N N 18 114.881 114.381 0.500 1
1 118 . 10 1 1 A 18 18 CYS H H 18 8.097 7.469 0.628 1
1 119 . 10 1 1 A 18 18 CYS CA C 18 58.406 59.153 -0.747 1
1 120 . 10 1 1 A 18 18 CYS HA H 18 5.201 4.734 0.467 1
1 121 . 10 1 1 A 18 18 CYS CB C 18 32.573 30.537 2.036 1
1 123 . 10 1 1 A 18 18 CYS C C 18 176.431 175.807 0.624 1
1 125 . 10 1 1 A 19 19 GLY N N 19 113.739 109.492 4.247 1
1 126 . 10 1 1 A 19 19 GLY H H 19 8.213 8.115 0.098 1
1 127 . 10 1 1 A 19 19 GLY CA C 19 46.251 46.717 -0.466 1
1 128 . 10 1 1 A 19 19 GLY HA3 H 19 4.264 3.932 0.332 1
1 129 . 10 1 1 A 19 19 GLY C C 19 173.590 174.564 -0.974 1
1 130 . 10 1 1 A 19 19 GLY HA2 H 19 3.805 3.922 -0.117 1
1 131 . 10 1 1 A 20 20 LYS N N 20 123.026 121.516 1.510 1
1 132 . 10 1 1 A 20 20 LYS H H 20 7.945 7.785 0.160 1
1 133 . 10 1 1 A 20 20 LYS CA C 20 58.313 57.045 1.268 1
1 134 . 10 1 1 A 20 20 LYS HA H 20 3.959 4.155 -0.196 1
1 135 . 10 1 1 A 20 20 LYS CB C 20 33.856 33.858 -0.002 1
1 142 . 10 1 1 A 20 20 LYS C C 20 174.525 176.485 -1.960 1
1 147 . 10 1 1 A 21 21 GLY N N 21 108.257 105.595 2.662 1
1 148 . 10 1 1 A 21 21 GLY H H 21 7.930 6.930 1.000 1
1 149 . 10 1 1 A 21 21 GLY CA C 21 44.040 44.311 -0.271 1
1 150 . 10 1 1 A 21 21 GLY HA3 H 21 4.917 3.764 1.153 1
1 151 . 10 1 1 A 21 21 GLY C C 21 172.346 172.157 0.189 1
1 152 . 10 1 1 A 21 21 GLY HA2 H 21 3.302 3.756 -0.454 1
1 153 . 10 1 1 A 22 22 PHE N N 22 117.898 121.292 -3.394 1
1 154 . 10 1 1 A 22 22 PHE H H 22 8.698 9.175 -0.477 1
1 155 . 10 1 1 A 22 22 PHE CA C 22 57.478 56.364 1.114 1
1 156 . 10 1 1 A 22 22 PHE HA H 22 4.736 5.074 -0.338 1
1 157 . 10 1 1 A 22 22 PHE CB C 22 43.762 43.543 0.219 1
1 169 . 10 1 1 A 22 22 PHE C C 22 175.511 175.273 0.238 1
1 171 . 10 1 1 A 23 23 ILE N N 23 117.272 119.166 -1.894 1
1 172 . 10 1 1 A 23 23 ILE H H 23 9.358 8.865 0.493 1
1 173 . 10 1 1 A 23 23 ILE CA C 23 62.295 61.915 0.380 1
1 174 . 10 1 1 A 23 23 ILE HA H 23 4.392 4.356 0.036 1
1 175 . 10 1 1 A 23 23 ILE CB C 23 39.428 38.783 0.645 1
1 187 . 10 1 1 A 23 23 ILE C C 23 175.245 176.322 -1.077 1
1 189 . 10 1 1 A 24 24 CYS N N 24 112.667 120.670 -8.003 1
1 190 . 10 1 1 A 24 24 CYS H H 24 7.593 7.954 -0.361 1
1 191 . 10 1 1 A 24 24 CYS CA C 24 55.415 56.991 -1.576 1
1 192 . 10 1 1 A 24 24 CYS HA H 24 4.902 4.756 0.146 1
1 193 . 10 1 1 A 24 24 CYS CB C 24 30.722 30.146 0.576 1
1 195 . 10 1 1 A 24 24 CYS C C 24 173.592 174.712 -1.120 1
1 197 . 10 1 1 A 25 25 ARG N N 25 124.960 122.002 2.958 1
1 198 . 10 1 1 A 25 25 ARG H H 25 8.413 8.913 -0.500 1
1 199 . 10 1 1 A 25 25 ARG CA C 25 59.380 59.673 -0.293 1
1 200 . 10 1 1 A 25 25 ARG HA H 25 3.000 3.634 -0.634 1
1 201 . 10 1 1 A 25 25 ARG CB C 25 29.593 30.340 -0.747 1
1 207 . 10 1 1 A 25 25 ARG C C 25 177.723 178.680 -0.957 1
1 211 . 10 1 1 A 26 26 ARG N N 26 119.340 119.598 -0.258 1
1 212 . 10 1 1 A 26 26 ARG H H 26 8.556 7.888 0.668 1
1 213 . 10 1 1 A 26 26 ARG CA C 26 59.426 59.317 0.109 1
1 214 . 10 1 1 A 26 26 ARG HA H 26 3.916 4.061 -0.145 1
1 215 . 10 1 1 A 26 26 ARG CB C 26 29.598 30.094 -0.496 1
1 221 . 10 1 1 A 26 26 ARG C C 26 178.094 177.922 0.172 1
1 225 . 10 1 1 A 27 27 ASP N N 27 119.260 119.398 -0.138 1
1 226 . 10 1 1 A 27 27 ASP H H 27 7.230 8.126 -0.896 1
1 227 . 10 1 1 A 27 27 ASP CA C 27 56.644 57.160 -0.516 1
1 228 . 10 1 1 A 27 27 ASP HA H 27 4.313 4.154 0.159 1
1 229 . 10 1 1 A 27 27 ASP CB C 27 40.265 41.639 -1.374 1
1 231 . 10 1 1 A 27 27 ASP C C 27 178.277 177.503 0.774 1
1 233 . 10 1 1 A 28 28 LEU N N 28 122.446 119.973 2.473 1
1 234 . 10 1 1 A 28 28 LEU H H 28 6.896 7.394 -0.498 1
1 235 . 10 1 1 A 28 28 LEU CA C 28 57.691 57.944 -0.253 1
1 236 . 10 1 1 A 28 28 LEU HA H 28 3.060 3.573 -0.513 1
1 237 . 10 1 1 A 28 28 LEU CB C 28 40.529 41.514 -0.985 1
1 249 . 10 1 1 A 28 28 LEU C C 28 176.873 178.104 -1.231 1
1 251 . 10 1 1 A 29 29 TYR N N 29 118.891 117.680 1.211 1
1 252 . 10 1 1 A 29 29 TYR H H 29 8.132 8.436 -0.304 1
1 253 . 10 1 1 A 29 29 TYR CA C 29 59.994 60.688 -0.694 1
1 254 . 10 1 1 A 29 29 TYR HA H 29 4.244 4.342 -0.098 1
1 255 . 10 1 1 A 29 29 TYR CB C 29 36.781 38.268 -1.487 1
1 265 . 10 1 1 A 29 29 TYR C C 29 179.157 178.460 0.697 1
1 267 . 10 1 1 A 30 30 THR N N 30 115.895 115.505 0.390 1
1 268 . 10 1 1 A 30 30 THR H H 30 8.209 8.678 -0.469 1
1 269 . 10 1 1 A 30 30 THR CA C 30 66.204 66.842 -0.638 1
1 270 . 10 1 1 A 30 30 THR HA H 30 3.916 3.978 -0.062 1
1 271 . 10 1 1 A 30 30 THR CB C 30 68.718 68.651 0.067 1
1 277 . 10 1 1 A 30 30 THR C C 30 176.781 176.538 0.243 1
1 278 . 10 1 1 A 31 31 HIS N N 31 122.097 121.340 0.757 1
1 279 . 10 1 1 A 31 31 HIS H H 31 7.587 8.449 -0.862 1
1 280 . 10 1 1 A 31 31 HIS CA C 31 59.221 59.589 -0.368 1
1 281 . 10 1 1 A 31 31 HIS HA H 31 4.204 4.239 -0.035 1
1 282 . 10 1 1 A 31 31 HIS CB C 31 28.238 29.758 -1.520 1
1 288 . 10 1 1 A 31 31 HIS C C 31 176.085 176.954 -0.869 1
1 290 . 10 1 1 A 32 32 HIS N N 32 117.054 119.275 -2.221 1
1 291 . 10 1 1 A 32 32 HIS H H 32 8.430 8.345 0.085 1
1 292 . 10 1 1 A 32 32 HIS CA C 32 59.270 59.803 -0.533 1
1 293 . 10 1 1 A 32 32 HIS HA H 32 4.057 3.826 0.231 1
1 294 . 10 1 1 A 32 32 HIS CB C 32 30.135 30.070 0.065 1
1 300 . 10 1 1 A 32 32 HIS C C 32 176.903 176.537 0.366 1
1 302 . 10 1 1 A 33 33 MET N N 33 115.224 117.428 -2.204 1
1 303 . 10 1 1 A 33 33 MET H H 33 7.167 7.869 -0.702 1
1 304 . 10 1 1 A 33 33 MET CA C 33 57.787 58.759 -0.972 1
1 305 . 10 1 1 A 33 33 MET HA H 33 4.232 4.041 0.191 1
1 306 . 10 1 1 A 33 33 MET CB C 33 32.279 31.990 0.289 1
1 314 . 10 1 1 A 33 33 MET C C 33 178.493 178.513 -0.020 1
1 317 . 10 1 1 A 34 34 VAL N N 34 117.328 116.925 0.403 1
1 318 . 10 1 1 A 34 34 VAL H H 34 8.026 8.041 -0.015 1
1 319 . 10 1 1 A 34 34 VAL CA C 34 64.228 65.835 -1.607 1
1 320 . 10 1 1 A 34 34 VAL HA H 34 3.882 3.707 0.175 1
1 321 . 10 1 1 A 34 34 VAL CB C 34 31.061 31.127 -0.066 1
1 331 . 10 1 1 A 34 34 VAL C C 34 177.569 178.280 -0.711 1
1 332 . 10 1 1 A 35 35 HIS N N 35 117.001 120.278 -3.277 1
1 333 . 10 1 1 A 35 35 HIS H H 35 7.262 7.557 -0.295 1
1 334 . 10 1 1 A 35 35 HIS CA C 35 55.398 59.831 -4.433 1
1 335 . 10 1 1 A 35 35 HIS HA H 35 4.799 4.113 0.686 1
1 336 . 10 1 1 A 35 35 HIS CB C 35 28.605 29.948 -1.343 1
1 342 . 10 1 1 A 35 35 HIS C C 35 175.891 178.296 -2.405 1
1 344 . 10 1 1 A 36 36 THR N N 36 110.979 111.905 -0.926 1
1 345 . 10 1 1 A 36 36 THR H H 36 7.665 7.726 -0.061 1
1 346 . 10 1 1 A 36 36 THR CA C 36 62.565 64.775 -2.210 1
1 347 . 10 1 1 A 36 36 THR HA H 36 4.329 4.139 0.190 1
1 348 . 10 1 1 A 36 36 THR CB C 36 69.832 68.672 1.160 1
1 354 . 10 1 1 A 36 36 THR C C 36 175.484 174.984 0.500 1
1 355 . 10 1 1 A 37 37 GLY N N 37 110.523 109.339 1.184 1
1 356 . 10 1 1 A 37 37 GLY H H 37 8.180 8.003 0.177 1
1 357 . 10 1 1 A 37 37 GLY CA C 37 45.329 45.273 0.056 1
1 358 . 10 1 1 A 37 37 GLY HA3 H 37 4.019 3.962 0.057 1
1 359 . 10 1 1 A 37 37 GLY C C 37 174.008 172.845 1.163 1
1 360 . 10 1 1 A 37 37 GLY HA2 H 37 3.962 3.952 0.010 1
1 361 . 10 1 1 A 38 38 GLU N N 38 120.488 125.986 -5.498 1
1 362 . 10 1 1 A 38 38 GLU H H 38 8.069 8.901 -0.832 1
1 363 . 10 1 1 A 38 38 GLU CA C 38 56.503 55.905 0.598 1
1 364 . 10 1 1 A 38 38 GLU HA H 38 4.246 4.563 -0.317 1
1 365 . 10 1 1 A 38 38 GLU CB C 38 30.654 30.885 -0.231 1
1 371 . 10 1 1 A 39 39 LYS N N 39 123.332 120.801 2.531 1
1 372 . 10 1 1 A 39 39 LYS H H 39 8.335 8.959 -0.624 1
1 373 . 10 1 1 A 39 39 LYS CA C 39 53.992 53.381 0.611 1
1 374 . 10 1 1 A 39 39 LYS HA H 39 4.632 4.939 -0.307 1
1 375 . 10 1 1 A 39 39 LYS CB C 39 32.631 34.917 -2.286 1
1 387 . 10 1 1 A 40 40 PRO CA C 40 63.250 62.513 0.737 1
1 388 . 10 1 1 A 40 40 PRO HA H 40 4.474 4.713 -0.239 1
1 389 . 10 1 1 A 40 40 PRO CB C 40 32.174 29.702 2.472 1
1 398 . 10 1 1 A 42 42 GLY CA C 42 44.688 46.181 -1.493 1
1 399 . 10 1 1 A 42 42 GLY HA3 H 42 4.109 4.178 -0.069 1
1 400 . 10 1 1 A 42 42 GLY HA2 H 42 4.169 4.177 -0.008 1
1 401 . 10 1 1 A 43 43 PRO CA C 43 63.207 62.507 0.700 1
1 402 . 10 1 1 A 43 43 PRO HA H 43 4.465 4.588 -0.123 1
1 403 . 10 1 1 A 43 43 PRO CB C 43 32.213 31.513 0.700 1
1 412 . 10 1 1 A 45 45 SER CA C 45 58.377 59.248 -0.871 1
1 413 . 10 1 1 A 45 45 SER HA H 45 4.447 4.697 -0.250 1
1 414 . 10 1 1 A 45 45 SER CB C 45 64.066 65.085 -1.019 1
1 415 . 10 1 1 A 45 45 SER C C 45 173.889 175.651 -1.762 1
1 1 . 11 1 1 A 8 8 THR N N 8 112.844 116.073 -3.229 1
1 2 . 11 1 1 A 8 8 THR H H 8 8.151 8.401 -0.250 1
1 3 . 11 1 1 A 8 8 THR CA C 8 61.903 60.928 0.975 1
1 4 . 11 1 1 A 8 8 THR HA H 8 4.363 4.894 -0.531 1
1 5 . 11 1 1 A 8 8 THR CB C 8 69.727 68.478 1.249 1
1 11 . 11 1 1 A 8 8 THR C C 8 175.240 174.550 0.690 1
1 12 . 11 1 1 A 9 9 GLY N N 9 111.083 112.278 -1.195 1
1 13 . 11 1 1 A 9 9 GLY H H 9 8.440 8.463 -0.023 1
1 14 . 11 1 1 A 9 9 GLY CA C 9 45.249 45.604 -0.355 1
1 15 . 11 1 1 A 9 9 GLY HA3 H 9 3.973 4.081 -0.108 1
1 16 . 11 1 1 A 9 9 GLY C C 9 174.005 172.239 1.766 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 3.925 4.075 -0.150 1
1 18 . 11 1 1 A 10 10 GLU N N 10 120.520 120.950 -0.430 1
1 19 . 11 1 1 A 10 10 GLU H H 10 8.187 8.340 -0.153 1
1 20 . 11 1 1 A 10 10 GLU CA C 10 56.547 55.521 1.026 1
1 21 . 11 1 1 A 10 10 GLU HA H 10 4.204 4.762 -0.558 1
1 22 . 11 1 1 A 10 10 GLU CB C 10 30.461 31.787 -1.326 1
1 28 . 11 1 1 A 11 11 LYS N N 11 122.559 124.245 -1.686 1
1 29 . 11 1 1 A 11 11 LYS H H 11 8.393 8.355 0.038 1
1 30 . 11 1 1 A 11 11 LYS CA C 11 53.799 52.767 1.032 1
1 31 . 11 1 1 A 11 11 LYS HA H 11 4.462 4.758 -0.296 1
1 32 . 11 1 1 A 11 11 LYS CB C 11 32.248 33.889 -1.641 1
1 44 . 11 1 1 A 12 12 PRO CA C 12 63.975 64.592 -0.617 1
1 45 . 11 1 1 A 12 12 PRO HA H 12 4.191 4.301 -0.110 1
1 46 . 11 1 1 A 12 12 PRO CB C 12 32.032 31.694 0.338 1
1 51 . 11 1 1 A 12 12 PRO C C 12 176.302 175.866 0.436 1
1 55 . 11 1 1 A 13 13 TYR N N 13 117.435 118.297 -0.862 1
1 56 . 11 1 1 A 13 13 TYR H H 13 7.669 7.240 0.429 1
1 57 . 11 1 1 A 13 13 TYR CA C 13 57.269 57.429 -0.160 1
1 58 . 11 1 1 A 13 13 TYR HA H 13 4.691 5.075 -0.384 1
1 59 . 11 1 1 A 13 13 TYR CB C 13 38.999 41.134 -2.135 1
1 69 . 11 1 1 A 13 13 TYR C C 13 174.478 174.722 -0.244 1
1 71 . 11 1 1 A 14 14 LYS N N 14 123.791 121.257 2.534 1
1 72 . 11 1 1 A 14 14 LYS H H 14 8.654 8.934 -0.280 1
1 73 . 11 1 1 A 14 14 LYS CA C 14 54.812 54.934 -0.122 1
1 74 . 11 1 1 A 14 14 LYS HA H 14 5.127 5.032 0.095 1
1 75 . 11 1 1 A 14 14 LYS CB C 14 35.391 36.302 -0.911 1
1 82 . 11 1 1 A 14 14 LYS C C 14 175.398 174.490 0.908 1
1 87 . 11 1 1 A 15 15 CYS N N 15 126.096 123.968 2.128 1
1 88 . 11 1 1 A 15 15 CYS H H 15 9.178 9.098 0.080 1
1 89 . 11 1 1 A 15 15 CYS CA C 15 59.645 59.364 0.281 1
1 90 . 11 1 1 A 15 15 CYS HA H 15 4.650 4.717 -0.067 1
1 91 . 11 1 1 A 15 15 CYS CB C 15 30.010 28.489 1.521 1
1 93 . 11 1 1 A 15 15 CYS C C 15 177.625 174.973 2.652 1
1 95 . 11 1 1 A 16 16 GLU N N 16 115.168 125.815 -10.647 1
1 96 . 11 1 1 A 16 16 GLU H H 16 9.873 9.014 0.859 1
1 97 . 11 1 1 A 16 16 GLU CA C 16 58.804 58.300 0.504 1
1 98 . 11 1 1 A 16 16 GLU HA H 16 4.169 4.274 -0.105 1
1 99 . 11 1 1 A 16 16 GLU CB C 16 29.630 29.919 -0.289 1
1 103 . 11 1 1 A 16 16 GLU C C 16 176.727 178.552 -1.825 1
1 106 . 11 1 1 A 17 17 GLU N N 17 120.669 119.083 1.586 1
1 107 . 11 1 1 A 17 17 GLU H H 17 8.841 7.724 1.117 1
1 108 . 11 1 1 A 17 17 GLU CA C 17 58.374 58.459 -0.085 1
1 109 . 11 1 1 A 17 17 GLU HA H 17 4.246 3.906 0.340 1
1 110 . 11 1 1 A 17 17 GLU CB C 17 29.475 28.111 1.364 1
1 114 . 11 1 1 A 17 17 GLU C C 17 177.380 178.167 -0.787 1
1 117 . 11 1 1 A 18 18 CYS N N 18 114.881 114.549 0.332 1
1 118 . 11 1 1 A 18 18 CYS H H 18 8.097 7.394 0.703 1
1 119 . 11 1 1 A 18 18 CYS CA C 18 58.406 59.270 -0.864 1
1 120 . 11 1 1 A 18 18 CYS HA H 18 5.201 4.705 0.496 1
1 121 . 11 1 1 A 18 18 CYS CB C 18 32.573 30.560 2.013 1
1 123 . 11 1 1 A 18 18 CYS C C 18 176.431 175.856 0.575 1
1 125 . 11 1 1 A 19 19 GLY N N 19 113.739 109.505 4.234 1
1 126 . 11 1 1 A 19 19 GLY H H 19 8.213 8.151 0.062 1
1 127 . 11 1 1 A 19 19 GLY CA C 19 46.251 46.770 -0.519 1
1 128 . 11 1 1 A 19 19 GLY HA3 H 19 4.264 4.000 0.264 1
1 129 . 11 1 1 A 19 19 GLY C C 19 173.590 174.601 -1.011 1
1 130 . 11 1 1 A 19 19 GLY HA2 H 19 3.805 3.958 -0.153 1
1 131 . 11 1 1 A 20 20 LYS N N 20 123.026 121.597 1.429 1
1 132 . 11 1 1 A 20 20 LYS H H 20 7.945 8.038 -0.093 1
1 133 . 11 1 1 A 20 20 LYS CA C 20 58.313 57.248 1.065 1
1 134 . 11 1 1 A 20 20 LYS HA H 20 3.959 4.311 -0.352 1
1 135 . 11 1 1 A 20 20 LYS CB C 20 33.856 34.283 -0.427 1
1 142 . 11 1 1 A 20 20 LYS C C 20 174.525 176.602 -2.077 1
1 147 . 11 1 1 A 21 21 GLY N N 21 108.257 106.042 2.215 1
1 148 . 11 1 1 A 21 21 GLY H H 21 7.930 7.345 0.585 1
1 149 . 11 1 1 A 21 21 GLY CA C 21 44.040 44.542 -0.502 1
1 150 . 11 1 1 A 21 21 GLY HA3 H 21 4.917 4.010 0.907 1
1 151 . 11 1 1 A 21 21 GLY C C 21 172.346 172.336 0.010 1
1 152 . 11 1 1 A 21 21 GLY HA2 H 21 3.302 3.876 -0.574 1
1 153 . 11 1 1 A 22 22 PHE N N 22 117.898 121.101 -3.203 1
1 154 . 11 1 1 A 22 22 PHE H H 22 8.698 8.858 -0.160 1
1 155 . 11 1 1 A 22 22 PHE CA C 22 57.478 56.278 1.200 1
1 156 . 11 1 1 A 22 22 PHE HA H 22 4.736 5.198 -0.462 1
1 157 . 11 1 1 A 22 22 PHE CB C 22 43.762 43.547 0.215 1
1 169 . 11 1 1 A 22 22 PHE C C 22 175.511 174.848 0.663 1
1 171 . 11 1 1 A 23 23 ILE N N 23 117.272 117.619 -0.347 1
1 172 . 11 1 1 A 23 23 ILE H H 23 9.358 8.776 0.582 1
1 173 . 11 1 1 A 23 23 ILE CA C 23 62.295 60.541 1.754 1
1 174 . 11 1 1 A 23 23 ILE HA H 23 4.392 4.425 -0.033 1
1 175 . 11 1 1 A 23 23 ILE CB C 23 39.428 37.265 2.163 1
1 187 . 11 1 1 A 23 23 ILE C C 23 175.245 175.351 -0.106 1
1 189 . 11 1 1 A 24 24 CYS N N 24 112.667 120.138 -7.471 1
1 190 . 11 1 1 A 24 24 CYS H H 24 7.593 7.978 -0.385 1
1 191 . 11 1 1 A 24 24 CYS CA C 24 55.415 58.767 -3.352 1
1 192 . 11 1 1 A 24 24 CYS HA H 24 4.902 5.064 -0.162 1
1 193 . 11 1 1 A 24 24 CYS CB C 24 30.722 31.252 -0.530 1
1 195 . 11 1 1 A 24 24 CYS C C 24 173.592 174.700 -1.108 1
1 197 . 11 1 1 A 25 25 ARG N N 25 124.960 126.682 -1.722 1
1 198 . 11 1 1 A 25 25 ARG H H 25 8.413 8.667 -0.254 1
1 199 . 11 1 1 A 25 25 ARG CA C 25 59.380 59.144 0.236 1
1 200 . 11 1 1 A 25 25 ARG HA H 25 3.000 2.857 0.143 1
1 201 . 11 1 1 A 25 25 ARG CB C 25 29.593 29.637 -0.044 1
1 207 . 11 1 1 A 25 25 ARG C C 25 177.723 177.786 -0.063 1
1 211 . 11 1 1 A 26 26 ARG N N 26 119.340 118.487 0.853 1
1 212 . 11 1 1 A 26 26 ARG H H 26 8.556 7.938 0.618 1
1 213 . 11 1 1 A 26 26 ARG CA C 26 59.426 59.170 0.256 1
1 214 . 11 1 1 A 26 26 ARG HA H 26 3.916 4.015 -0.099 1
1 215 . 11 1 1 A 26 26 ARG CB C 26 29.598 30.055 -0.457 1
1 221 . 11 1 1 A 26 26 ARG C C 26 178.094 178.045 0.049 1
1 225 . 11 1 1 A 27 27 ASP N N 27 119.260 119.853 -0.593 1
1 226 . 11 1 1 A 27 27 ASP H H 27 7.230 8.130 -0.900 1
1 227 . 11 1 1 A 27 27 ASP CA C 27 56.644 57.388 -0.744 1
1 228 . 11 1 1 A 27 27 ASP HA H 27 4.313 4.287 0.026 1
1 229 . 11 1 1 A 27 27 ASP CB C 27 40.265 41.112 -0.847 1
1 231 . 11 1 1 A 27 27 ASP C C 27 178.277 177.603 0.674 1
1 233 . 11 1 1 A 28 28 LEU N N 28 122.446 120.152 2.294 1
1 234 . 11 1 1 A 28 28 LEU H H 28 6.896 7.926 -1.030 1
1 235 . 11 1 1 A 28 28 LEU CA C 28 57.691 58.308 -0.617 1
1 236 . 11 1 1 A 28 28 LEU HA H 28 3.060 3.387 -0.327 1
1 237 . 11 1 1 A 28 28 LEU CB C 28 40.529 41.724 -1.195 1
1 249 . 11 1 1 A 28 28 LEU C C 28 176.873 177.748 -0.875 1
1 251 . 11 1 1 A 29 29 TYR N N 29 118.891 118.411 0.480 1
1 252 . 11 1 1 A 29 29 TYR H H 29 8.132 7.911 0.221 1
1 253 . 11 1 1 A 29 29 TYR CA C 29 59.994 60.444 -0.450 1
1 254 . 11 1 1 A 29 29 TYR HA H 29 4.244 4.232 0.012 1
1 255 . 11 1 1 A 29 29 TYR CB C 29 36.781 38.366 -1.585 1
1 265 . 11 1 1 A 29 29 TYR C C 29 179.157 178.257 0.900 1
1 267 . 11 1 1 A 30 30 THR N N 30 115.895 115.613 0.282 1
1 268 . 11 1 1 A 30 30 THR H H 30 8.209 8.097 0.112 1
1 269 . 11 1 1 A 30 30 THR CA C 30 66.204 66.982 -0.778 1
1 270 . 11 1 1 A 30 30 THR HA H 30 3.916 3.898 0.018 1
1 271 . 11 1 1 A 30 30 THR CB C 30 68.718 68.641 0.077 1
1 277 . 11 1 1 A 30 30 THR C C 30 176.781 176.332 0.449 1
1 278 . 11 1 1 A 31 31 HIS N N 31 122.097 121.539 0.558 1
1 279 . 11 1 1 A 31 31 HIS H H 31 7.587 8.166 -0.579 1
1 280 . 11 1 1 A 31 31 HIS CA C 31 59.221 59.603 -0.382 1
1 281 . 11 1 1 A 31 31 HIS HA H 31 4.204 4.304 -0.100 1
1 282 . 11 1 1 A 31 31 HIS CB C 31 28.238 29.976 -1.738 1
1 288 . 11 1 1 A 31 31 HIS C C 31 176.085 177.109 -1.024 1
1 290 . 11 1 1 A 32 32 HIS N N 32 117.054 119.220 -2.166 1
1 291 . 11 1 1 A 32 32 HIS H H 32 8.430 8.050 0.380 1
1 292 . 11 1 1 A 32 32 HIS CA C 32 59.270 59.799 -0.529 1
1 293 . 11 1 1 A 32 32 HIS HA H 32 4.057 4.037 0.020 1
1 294 . 11 1 1 A 32 32 HIS CB C 32 30.135 30.017 0.118 1
1 300 . 11 1 1 A 32 32 HIS C C 32 176.903 177.164 -0.261 1
1 302 . 11 1 1 A 33 33 MET N N 33 115.224 118.011 -2.787 1
1 303 . 11 1 1 A 33 33 MET H H 33 7.167 7.846 -0.679 1
1 304 . 11 1 1 A 33 33 MET CA C 33 57.787 58.700 -0.913 1
1 305 . 11 1 1 A 33 33 MET HA H 33 4.232 4.000 0.232 1
1 306 . 11 1 1 A 33 33 MET CB C 33 32.279 32.634 -0.355 1
1 314 . 11 1 1 A 33 33 MET C C 33 178.493 178.141 0.352 1
1 317 . 11 1 1 A 34 34 VAL N N 34 117.328 117.163 0.165 1
1 318 . 11 1 1 A 34 34 VAL H H 34 8.026 8.112 -0.086 1
1 319 . 11 1 1 A 34 34 VAL CA C 34 64.228 65.461 -1.233 1
1 320 . 11 1 1 A 34 34 VAL HA H 34 3.882 3.741 0.141 1
1 321 . 11 1 1 A 34 34 VAL CB C 34 31.061 31.218 -0.157 1
1 331 . 11 1 1 A 34 34 VAL C C 34 177.569 177.510 0.059 1
1 332 . 11 1 1 A 35 35 HIS N N 35 117.001 120.021 -3.020 1
1 333 . 11 1 1 A 35 35 HIS H H 35 7.262 7.729 -0.467 1
1 334 . 11 1 1 A 35 35 HIS CA C 35 55.398 58.735 -3.337 1
1 335 . 11 1 1 A 35 35 HIS HA H 35 4.799 4.346 0.453 1
1 336 . 11 1 1 A 35 35 HIS CB C 35 28.605 30.810 -2.205 1
1 342 . 11 1 1 A 35 35 HIS C C 35 175.891 176.370 -0.479 1
1 344 . 11 1 1 A 36 36 THR N N 36 110.979 110.900 0.079 1
1 345 . 11 1 1 A 36 36 THR H H 36 7.665 7.803 -0.138 1
1 346 . 11 1 1 A 36 36 THR CA C 36 62.565 61.692 0.873 1
1 347 . 11 1 1 A 36 36 THR HA H 36 4.329 4.302 0.027 1
1 348 . 11 1 1 A 36 36 THR CB C 36 69.832 69.050 0.782 1
1 354 . 11 1 1 A 36 36 THR C C 36 175.484 175.713 -0.229 1
1 355 . 11 1 1 A 37 37 GLY N N 37 110.523 111.489 -0.966 1
1 356 . 11 1 1 A 37 37 GLY H H 37 8.180 8.442 -0.262 1
1 357 . 11 1 1 A 37 37 GLY CA C 37 45.329 47.205 -1.876 1
1 358 . 11 1 1 A 37 37 GLY HA3 H 37 4.019 3.872 0.147 1
1 359 . 11 1 1 A 37 37 GLY C C 37 174.008 173.751 0.257 1
1 360 . 11 1 1 A 37 37 GLY HA2 H 37 3.962 3.865 0.097 1
1 361 . 11 1 1 A 38 38 GLU N N 38 120.488 115.688 4.800 1
1 362 . 11 1 1 A 38 38 GLU H H 38 8.069 7.583 0.486 1
1 363 . 11 1 1 A 38 38 GLU CA C 38 56.503 54.799 1.704 1
1 364 . 11 1 1 A 38 38 GLU HA H 38 4.246 4.791 -0.545 1
1 365 . 11 1 1 A 38 38 GLU CB C 38 30.654 32.393 -1.739 1
1 371 . 11 1 1 A 39 39 LYS N N 39 123.332 119.193 4.139 1
1 372 . 11 1 1 A 39 39 LYS H H 39 8.335 8.540 -0.205 1
1 373 . 11 1 1 A 39 39 LYS CA C 39 53.992 53.818 0.174 1
1 374 . 11 1 1 A 39 39 LYS HA H 39 4.632 4.796 -0.164 1
1 375 . 11 1 1 A 39 39 LYS CB C 39 32.631 32.459 0.172 1
1 387 . 11 1 1 A 40 40 PRO CA C 40 63.250 62.701 0.549 1
1 388 . 11 1 1 A 40 40 PRO HA H 40 4.474 4.765 -0.291 1
1 389 . 11 1 1 A 40 40 PRO CB C 40 32.174 30.650 1.524 1
1 398 . 11 1 1 A 42 42 GLY CA C 42 44.688 44.300 0.388 1
1 399 . 11 1 1 A 42 42 GLY HA3 H 42 4.109 4.247 -0.138 1
1 400 . 11 1 1 A 42 42 GLY HA2 H 42 4.169 4.247 -0.078 1
1 401 . 11 1 1 A 43 43 PRO CA C 43 63.207 64.165 -0.958 1
1 402 . 11 1 1 A 43 43 PRO HA H 43 4.465 4.461 0.004 1
1 403 . 11 1 1 A 43 43 PRO CB C 43 32.213 31.858 0.355 1
1 412 . 11 1 1 A 45 45 SER CA C 45 58.377 57.414 0.963 1
1 413 . 11 1 1 A 45 45 SER HA H 45 4.447 5.247 -0.800 1
1 414 . 11 1 1 A 45 45 SER CB C 45 64.066 64.736 -0.670 1
1 415 . 11 1 1 A 45 45 SER C C 45 173.889 174.442 -0.553 1
1 1 . 12 1 1 A 8 8 THR N N 8 112.844 116.964 -4.120 1
1 2 . 12 1 1 A 8 8 THR H H 8 8.151 8.721 -0.570 1
1 3 . 12 1 1 A 8 8 THR CA C 8 61.903 66.319 -4.416 1
1 4 . 12 1 1 A 8 8 THR HA H 8 4.363 3.949 0.414 1
1 5 . 12 1 1 A 8 8 THR CB C 8 69.727 68.891 0.836 1
1 11 . 12 1 1 A 8 8 THR C C 8 175.240 175.621 -0.381 1
1 12 . 12 1 1 A 9 9 GLY N N 9 111.083 108.817 2.266 1
1 13 . 12 1 1 A 9 9 GLY H H 9 8.440 7.659 0.781 1
1 14 . 12 1 1 A 9 9 GLY CA C 9 45.249 45.049 0.200 1
1 15 . 12 1 1 A 9 9 GLY HA3 H 9 3.973 4.008 -0.035 1
1 16 . 12 1 1 A 9 9 GLY C C 9 174.005 172.407 1.598 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 3.925 4.008 -0.083 1
1 18 . 12 1 1 A 10 10 GLU N N 10 120.520 122.397 -1.877 1
1 19 . 12 1 1 A 10 10 GLU H H 10 8.187 8.616 -0.429 1
1 20 . 12 1 1 A 10 10 GLU CA C 10 56.547 55.637 0.910 1
1 21 . 12 1 1 A 10 10 GLU HA H 10 4.204 4.589 -0.385 1
1 22 . 12 1 1 A 10 10 GLU CB C 10 30.461 30.770 -0.309 1
1 28 . 12 1 1 A 11 11 LYS N N 11 122.559 127.559 -5.000 1
1 29 . 12 1 1 A 11 11 LYS H H 11 8.393 8.518 -0.125 1
1 30 . 12 1 1 A 11 11 LYS CA C 11 53.799 55.035 -1.236 1
1 31 . 12 1 1 A 11 11 LYS HA H 11 4.462 4.216 0.246 1
1 32 . 12 1 1 A 11 11 LYS CB C 11 32.248 31.783 0.465 1
1 44 . 12 1 1 A 12 12 PRO CA C 12 63.975 64.214 -0.239 1
1 45 . 12 1 1 A 12 12 PRO HA H 12 4.191 4.227 -0.036 1
1 46 . 12 1 1 A 12 12 PRO CB C 12 32.032 31.569 0.463 1
1 51 . 12 1 1 A 12 12 PRO C C 12 176.302 175.594 0.708 1
1 55 . 12 1 1 A 13 13 TYR N N 13 117.435 118.045 -0.610 1
1 56 . 12 1 1 A 13 13 TYR H H 13 7.669 7.020 0.649 1
1 57 . 12 1 1 A 13 13 TYR CA C 13 57.269 56.147 1.122 1
1 58 . 12 1 1 A 13 13 TYR HA H 13 4.691 5.316 -0.625 1
1 59 . 12 1 1 A 13 13 TYR CB C 13 38.999 43.082 -4.083 1
1 69 . 12 1 1 A 13 13 TYR C C 13 174.478 174.039 0.439 1
1 71 . 12 1 1 A 14 14 LYS N N 14 123.791 123.082 0.709 1
1 72 . 12 1 1 A 14 14 LYS H H 14 8.654 8.896 -0.242 1
1 73 . 12 1 1 A 14 14 LYS CA C 14 54.812 54.573 0.239 1
1 74 . 12 1 1 A 14 14 LYS HA H 14 5.127 4.804 0.323 1
1 75 . 12 1 1 A 14 14 LYS CB C 14 35.391 36.343 -0.952 1
1 82 . 12 1 1 A 14 14 LYS C C 14 175.398 174.985 0.413 1
1 87 . 12 1 1 A 15 15 CYS N N 15 126.096 124.396 1.700 1
1 88 . 12 1 1 A 15 15 CYS H H 15 9.178 8.920 0.258 1
1 89 . 12 1 1 A 15 15 CYS CA C 15 59.645 60.367 -0.722 1
1 90 . 12 1 1 A 15 15 CYS HA H 15 4.650 4.492 0.158 1
1 91 . 12 1 1 A 15 15 CYS CB C 15 30.010 28.585 1.425 1
1 93 . 12 1 1 A 15 15 CYS C C 15 177.625 175.595 2.030 1
1 95 . 12 1 1 A 16 16 GLU N N 16 115.168 127.492 -12.324 1
1 96 . 12 1 1 A 16 16 GLU H H 16 9.873 9.055 0.818 1
1 97 . 12 1 1 A 16 16 GLU CA C 16 58.804 57.511 1.293 1
1 98 . 12 1 1 A 16 16 GLU HA H 16 4.169 4.438 -0.269 1
1 99 . 12 1 1 A 16 16 GLU CB C 16 29.630 29.711 -0.081 1
1 103 . 12 1 1 A 16 16 GLU C C 16 176.727 176.924 -0.197 1
1 106 . 12 1 1 A 17 17 GLU N N 17 120.669 120.405 0.264 1
1 107 . 12 1 1 A 17 17 GLU H H 17 8.841 7.993 0.848 1
1 108 . 12 1 1 A 17 17 GLU CA C 17 58.374 58.032 0.342 1
1 109 . 12 1 1 A 17 17 GLU HA H 17 4.246 4.384 -0.138 1
1 110 . 12 1 1 A 17 17 GLU CB C 17 29.475 30.204 -0.729 1
1 114 . 12 1 1 A 17 17 GLU C C 17 177.380 177.453 -0.073 1
1 117 . 12 1 1 A 18 18 CYS N N 18 114.881 115.637 -0.756 1
1 118 . 12 1 1 A 18 18 CYS H H 18 8.097 7.615 0.482 1
1 119 . 12 1 1 A 18 18 CYS CA C 18 58.406 59.027 -0.621 1
1 120 . 12 1 1 A 18 18 CYS HA H 18 5.201 4.735 0.466 1
1 121 . 12 1 1 A 18 18 CYS CB C 18 32.573 30.528 2.045 1
1 123 . 12 1 1 A 18 18 CYS C C 18 176.431 175.698 0.733 1
1 125 . 12 1 1 A 19 19 GLY N N 19 113.739 109.375 4.364 1
1 126 . 12 1 1 A 19 19 GLY H H 19 8.213 8.059 0.154 1
1 127 . 12 1 1 A 19 19 GLY CA C 19 46.251 45.364 0.887 1
1 128 . 12 1 1 A 19 19 GLY HA3 H 19 4.264 4.017 0.247 1
1 129 . 12 1 1 A 19 19 GLY C C 19 173.590 174.497 -0.907 1
1 130 . 12 1 1 A 19 19 GLY HA2 H 19 3.805 4.009 -0.204 1
1 131 . 12 1 1 A 20 20 LYS N N 20 123.026 120.489 2.537 1
1 132 . 12 1 1 A 20 20 LYS H H 20 7.945 8.299 -0.354 1
1 133 . 12 1 1 A 20 20 LYS CA C 20 58.313 57.051 1.262 1
1 134 . 12 1 1 A 20 20 LYS HA H 20 3.959 4.322 -0.363 1
1 135 . 12 1 1 A 20 20 LYS CB C 20 33.856 33.941 -0.085 1
1 142 . 12 1 1 A 20 20 LYS C C 20 174.525 176.454 -1.929 1
1 147 . 12 1 1 A 21 21 GLY N N 21 108.257 103.738 4.519 1
1 148 . 12 1 1 A 21 21 GLY H H 21 7.930 6.873 1.057 1
1 149 . 12 1 1 A 21 21 GLY CA C 21 44.040 44.523 -0.483 1
1 150 . 12 1 1 A 21 21 GLY HA3 H 21 4.917 3.824 1.093 1
1 151 . 12 1 1 A 21 21 GLY C C 21 172.346 172.101 0.245 1
1 152 . 12 1 1 A 21 21 GLY HA2 H 21 3.302 3.818 -0.516 1
1 153 . 12 1 1 A 22 22 PHE N N 22 117.898 121.122 -3.224 1
1 154 . 12 1 1 A 22 22 PHE H H 22 8.698 9.132 -0.434 1
1 155 . 12 1 1 A 22 22 PHE CA C 22 57.478 56.506 0.972 1
1 156 . 12 1 1 A 22 22 PHE HA H 22 4.736 5.233 -0.497 1
1 157 . 12 1 1 A 22 22 PHE CB C 22 43.762 43.969 -0.207 1
1 169 . 12 1 1 A 22 22 PHE C C 22 175.511 175.509 0.002 1
1 171 . 12 1 1 A 23 23 ILE N N 23 117.272 120.342 -3.070 1
1 172 . 12 1 1 A 23 23 ILE H H 23 9.358 8.785 0.573 1
1 173 . 12 1 1 A 23 23 ILE CA C 23 62.295 62.488 -0.193 1
1 174 . 12 1 1 A 23 23 ILE HA H 23 4.392 4.302 0.090 1
1 175 . 12 1 1 A 23 23 ILE CB C 23 39.428 38.669 0.759 1
1 187 . 12 1 1 A 23 23 ILE C C 23 175.245 176.560 -1.315 1
1 189 . 12 1 1 A 24 24 CYS N N 24 112.667 119.636 -6.969 1
1 190 . 12 1 1 A 24 24 CYS H H 24 7.593 7.763 -0.170 1
1 191 . 12 1 1 A 24 24 CYS CA C 24 55.415 58.507 -3.092 1
1 192 . 12 1 1 A 24 24 CYS HA H 24 4.902 4.585 0.317 1
1 193 . 12 1 1 A 24 24 CYS CB C 24 30.722 28.888 1.834 1
1 195 . 12 1 1 A 24 24 CYS C C 24 173.592 174.475 -0.883 1
1 197 . 12 1 1 A 25 25 ARG N N 25 124.960 124.535 0.425 1
1 198 . 12 1 1 A 25 25 ARG H H 25 8.413 8.791 -0.378 1
1 199 . 12 1 1 A 25 25 ARG CA C 25 59.380 59.109 0.271 1
1 200 . 12 1 1 A 25 25 ARG HA H 25 3.000 3.395 -0.395 1
1 201 . 12 1 1 A 25 25 ARG CB C 25 29.593 30.584 -0.991 1
1 207 . 12 1 1 A 25 25 ARG C C 25 177.723 178.424 -0.701 1
1 211 . 12 1 1 A 26 26 ARG N N 26 119.340 119.988 -0.648 1
1 212 . 12 1 1 A 26 26 ARG H H 26 8.556 7.833 0.723 1
1 213 . 12 1 1 A 26 26 ARG CA C 26 59.426 59.211 0.215 1
1 214 . 12 1 1 A 26 26 ARG HA H 26 3.916 4.089 -0.173 1
1 215 . 12 1 1 A 26 26 ARG CB C 26 29.598 29.859 -0.261 1
1 221 . 12 1 1 A 26 26 ARG C C 26 178.094 177.888 0.206 1
1 225 . 12 1 1 A 27 27 ASP N N 27 119.260 119.650 -0.390 1
1 226 . 12 1 1 A 27 27 ASP H H 27 7.230 8.116 -0.886 1
1 227 . 12 1 1 A 27 27 ASP CA C 27 56.644 57.024 -0.380 1
1 228 . 12 1 1 A 27 27 ASP HA H 27 4.313 4.196 0.117 1
1 229 . 12 1 1 A 27 27 ASP CB C 27 40.265 41.293 -1.028 1
1 231 . 12 1 1 A 27 27 ASP C C 27 178.277 177.487 0.790 1
1 233 . 12 1 1 A 28 28 LEU N N 28 122.446 120.024 2.422 1
1 234 . 12 1 1 A 28 28 LEU H H 28 6.896 7.973 -1.077 1
1 235 . 12 1 1 A 28 28 LEU CA C 28 57.691 57.962 -0.271 1
1 236 . 12 1 1 A 28 28 LEU HA H 28 3.060 3.420 -0.360 1
1 237 . 12 1 1 A 28 28 LEU CB C 28 40.529 41.564 -1.035 1
1 249 . 12 1 1 A 28 28 LEU C C 28 176.873 177.694 -0.821 1
1 251 . 12 1 1 A 29 29 TYR N N 29 118.891 117.990 0.901 1
1 252 . 12 1 1 A 29 29 TYR H H 29 8.132 8.043 0.089 1
1 253 . 12 1 1 A 29 29 TYR CA C 29 59.994 60.255 -0.261 1
1 254 . 12 1 1 A 29 29 TYR HA H 29 4.244 4.293 -0.049 1
1 255 . 12 1 1 A 29 29 TYR CB C 29 36.781 38.365 -1.584 1
1 265 . 12 1 1 A 29 29 TYR C C 29 179.157 178.427 0.730 1
1 267 . 12 1 1 A 30 30 THR N N 30 115.895 115.836 0.059 1
1 268 . 12 1 1 A 30 30 THR H H 30 8.209 8.574 -0.365 1
1 269 . 12 1 1 A 30 30 THR CA C 30 66.204 66.818 -0.614 1
1 270 . 12 1 1 A 30 30 THR HA H 30 3.916 3.912 0.004 1
1 271 . 12 1 1 A 30 30 THR CB C 30 68.718 68.755 -0.037 1
1 277 . 12 1 1 A 30 30 THR C C 30 176.781 176.505 0.276 1
1 278 . 12 1 1 A 31 31 HIS N N 31 122.097 121.625 0.472 1
1 279 . 12 1 1 A 31 31 HIS H H 31 7.587 7.863 -0.276 1
1 280 . 12 1 1 A 31 31 HIS CA C 31 59.221 59.017 0.204 1
1 281 . 12 1 1 A 31 31 HIS HA H 31 4.204 4.137 0.067 1
1 282 . 12 1 1 A 31 31 HIS CB C 31 28.238 29.460 -1.222 1
1 288 . 12 1 1 A 31 31 HIS C C 31 176.085 177.337 -1.252 1
1 290 . 12 1 1 A 32 32 HIS N N 32 117.054 119.009 -1.955 1
1 291 . 12 1 1 A 32 32 HIS H H 32 8.430 8.322 0.108 1
1 292 . 12 1 1 A 32 32 HIS CA C 32 59.270 59.158 0.112 1
1 293 . 12 1 1 A 32 32 HIS HA H 32 4.057 4.088 -0.031 1
1 294 . 12 1 1 A 32 32 HIS CB C 32 30.135 30.150 -0.015 1
1 300 . 12 1 1 A 32 32 HIS C C 32 176.903 177.139 -0.236 1
1 302 . 12 1 1 A 33 33 MET N N 33 115.224 117.878 -2.654 1
1 303 . 12 1 1 A 33 33 MET H H 33 7.167 7.809 -0.642 1
1 304 . 12 1 1 A 33 33 MET CA C 33 57.787 58.477 -0.690 1
1 305 . 12 1 1 A 33 33 MET HA H 33 4.232 3.928 0.304 1
1 306 . 12 1 1 A 33 33 MET CB C 33 32.279 33.342 -1.063 1
1 314 . 12 1 1 A 33 33 MET C C 33 178.493 177.988 0.505 1
1 317 . 12 1 1 A 34 34 VAL N N 34 117.328 116.174 1.154 1
1 318 . 12 1 1 A 34 34 VAL H H 34 8.026 7.586 0.440 1
1 319 . 12 1 1 A 34 34 VAL CA C 34 64.228 64.379 -0.151 1
1 320 . 12 1 1 A 34 34 VAL HA H 34 3.882 3.879 0.003 1
1 321 . 12 1 1 A 34 34 VAL CB C 34 31.061 31.256 -0.195 1
1 331 . 12 1 1 A 34 34 VAL C C 34 177.569 176.299 1.270 1
1 332 . 12 1 1 A 35 35 HIS N N 35 117.001 119.790 -2.789 1
1 333 . 12 1 1 A 35 35 HIS H H 35 7.262 7.708 -0.446 1
1 334 . 12 1 1 A 35 35 HIS CA C 35 55.398 57.905 -2.507 1
1 335 . 12 1 1 A 35 35 HIS HA H 35 4.799 4.484 0.315 1
1 336 . 12 1 1 A 35 35 HIS CB C 35 28.605 31.211 -2.606 1
1 342 . 12 1 1 A 35 35 HIS C C 35 175.891 176.052 -0.161 1
1 344 . 12 1 1 A 36 36 THR N N 36 110.979 107.014 3.965 1
1 345 . 12 1 1 A 36 36 THR H H 36 7.665 7.501 0.164 1
1 346 . 12 1 1 A 36 36 THR CA C 36 62.565 62.517 0.048 1
1 347 . 12 1 1 A 36 36 THR HA H 36 4.329 4.289 0.040 1
1 348 . 12 1 1 A 36 36 THR CB C 36 69.832 69.671 0.161 1
1 354 . 12 1 1 A 36 36 THR C C 36 175.484 174.911 0.573 1
1 355 . 12 1 1 A 37 37 GLY N N 37 110.523 111.767 -1.244 1
1 356 . 12 1 1 A 37 37 GLY H H 37 8.180 7.572 0.608 1
1 357 . 12 1 1 A 37 37 GLY CA C 37 45.329 44.154 1.175 1
1 358 . 12 1 1 A 37 37 GLY HA3 H 37 4.019 4.003 0.016 1
1 359 . 12 1 1 A 37 37 GLY C C 37 174.008 172.572 1.436 1
1 360 . 12 1 1 A 37 37 GLY HA2 H 37 3.962 3.994 -0.032 1
1 361 . 12 1 1 A 38 38 GLU N N 38 120.488 121.695 -1.207 1
1 362 . 12 1 1 A 38 38 GLU H H 38 8.069 8.527 -0.458 1
1 363 . 12 1 1 A 38 38 GLU CA C 38 56.503 55.114 1.389 1
1 364 . 12 1 1 A 38 38 GLU HA H 38 4.246 5.126 -0.880 1
1 365 . 12 1 1 A 38 38 GLU CB C 38 30.654 33.117 -2.463 1
1 371 . 12 1 1 A 39 39 LYS N N 39 123.332 124.856 -1.524 1
1 372 . 12 1 1 A 39 39 LYS H H 39 8.335 8.940 -0.605 1
1 373 . 12 1 1 A 39 39 LYS CA C 39 53.992 54.034 -0.042 1
1 374 . 12 1 1 A 39 39 LYS HA H 39 4.632 4.905 -0.273 1
1 375 . 12 1 1 A 39 39 LYS CB C 39 32.631 35.832 -3.201 1
1 387 . 12 1 1 A 40 40 PRO CA C 40 63.250 62.636 0.614 1
1 388 . 12 1 1 A 40 40 PRO HA H 40 4.474 4.583 -0.109 1
1 389 . 12 1 1 A 40 40 PRO CB C 40 32.174 32.408 -0.234 1
1 398 . 12 1 1 A 42 42 GLY CA C 42 44.688 44.523 0.165 1
1 399 . 12 1 1 A 42 42 GLY HA3 H 42 4.109 4.066 0.043 1
1 400 . 12 1 1 A 42 42 GLY HA2 H 42 4.169 4.064 0.105 1
1 401 . 12 1 1 A 43 43 PRO CA C 43 63.207 64.924 -1.717 1
1 402 . 12 1 1 A 43 43 PRO HA H 43 4.465 4.436 0.029 1
1 403 . 12 1 1 A 43 43 PRO CB C 43 32.213 32.073 0.140 1
1 412 . 12 1 1 A 45 45 SER CA C 45 58.377 57.878 0.499 1
1 413 . 12 1 1 A 45 45 SER HA H 45 4.447 4.870 -0.423 1
1 414 . 12 1 1 A 45 45 SER CB C 45 64.066 67.052 -2.986 1
1 415 . 12 1 1 A 45 45 SER C C 45 173.889 172.408 1.481 1
1 1 . 13 1 1 A 8 8 THR N N 8 112.844 114.098 -1.254 1
1 2 . 13 1 1 A 8 8 THR H H 8 8.151 7.794 0.357 1
1 3 . 13 1 1 A 8 8 THR CA C 8 61.903 64.980 -3.077 1
1 4 . 13 1 1 A 8 8 THR HA H 8 4.363 4.025 0.338 1
1 5 . 13 1 1 A 8 8 THR CB C 8 69.727 68.352 1.375 1
1 11 . 13 1 1 A 8 8 THR C C 8 175.240 175.590 -0.350 1
1 12 . 13 1 1 A 9 9 GLY N N 9 111.083 114.662 -3.579 1
1 13 . 13 1 1 A 9 9 GLY H H 9 8.440 8.823 -0.383 1
1 14 . 13 1 1 A 9 9 GLY CA C 9 45.249 45.302 -0.053 1
1 15 . 13 1 1 A 9 9 GLY HA3 H 9 3.973 3.973 0.000 1
1 16 . 13 1 1 A 9 9 GLY C C 9 174.005 174.629 -0.624 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 3.925 3.970 -0.045 1
1 18 . 13 1 1 A 10 10 GLU N N 10 120.520 120.356 0.164 1
1 19 . 13 1 1 A 10 10 GLU H H 10 8.187 7.599 0.588 1
1 20 . 13 1 1 A 10 10 GLU CA C 10 56.547 56.664 -0.117 1
1 21 . 13 1 1 A 10 10 GLU HA H 10 4.204 4.320 -0.116 1
1 22 . 13 1 1 A 10 10 GLU CB C 10 30.461 29.972 0.489 1
1 28 . 13 1 1 A 11 11 LYS N N 11 122.559 123.000 -0.441 1
1 29 . 13 1 1 A 11 11 LYS H H 11 8.393 8.601 -0.208 1
1 30 . 13 1 1 A 11 11 LYS CA C 11 53.799 54.389 -0.590 1
1 31 . 13 1 1 A 11 11 LYS HA H 11 4.462 4.401 0.061 1
1 32 . 13 1 1 A 11 11 LYS CB C 11 32.248 31.846 0.402 1
1 44 . 13 1 1 A 12 12 PRO CA C 12 63.975 64.644 -0.669 1
1 45 . 13 1 1 A 12 12 PRO HA H 12 4.191 4.324 -0.133 1
1 46 . 13 1 1 A 12 12 PRO CB C 12 32.032 32.022 0.010 1
1 51 . 13 1 1 A 12 12 PRO C C 12 176.302 175.781 0.521 1
1 55 . 13 1 1 A 13 13 TYR N N 13 117.435 118.314 -0.879 1
1 56 . 13 1 1 A 13 13 TYR H H 13 7.669 7.231 0.438 1
1 57 . 13 1 1 A 13 13 TYR CA C 13 57.269 56.922 0.347 1
1 58 . 13 1 1 A 13 13 TYR HA H 13 4.691 5.334 -0.643 1
1 59 . 13 1 1 A 13 13 TYR CB C 13 38.999 41.481 -2.482 1
1 69 . 13 1 1 A 13 13 TYR C C 13 174.478 174.360 0.118 1
1 71 . 13 1 1 A 14 14 LYS N N 14 123.791 121.380 2.411 1
1 72 . 13 1 1 A 14 14 LYS H H 14 8.654 8.934 -0.280 1
1 73 . 13 1 1 A 14 14 LYS CA C 14 54.812 54.882 -0.070 1
1 74 . 13 1 1 A 14 14 LYS HA H 14 5.127 5.484 -0.357 1
1 75 . 13 1 1 A 14 14 LYS CB C 14 35.391 36.411 -1.020 1
1 82 . 13 1 1 A 14 14 LYS C C 14 175.398 174.515 0.883 1
1 87 . 13 1 1 A 15 15 CYS N N 15 126.096 123.790 2.306 1
1 88 . 13 1 1 A 15 15 CYS H H 15 9.178 8.855 0.323 1
1 89 . 13 1 1 A 15 15 CYS CA C 15 59.645 59.061 0.584 1
1 90 . 13 1 1 A 15 15 CYS HA H 15 4.650 4.681 -0.031 1
1 91 . 13 1 1 A 15 15 CYS CB C 15 30.010 28.969 1.041 1
1 93 . 13 1 1 A 15 15 CYS C C 15 177.625 175.911 1.714 1
1 95 . 13 1 1 A 16 16 GLU N N 16 115.168 127.126 -11.958 1
1 96 . 13 1 1 A 16 16 GLU H H 16 9.873 9.120 0.753 1
1 97 . 13 1 1 A 16 16 GLU CA C 16 58.804 56.663 2.141 1
1 98 . 13 1 1 A 16 16 GLU HA H 16 4.169 4.501 -0.332 1
1 99 . 13 1 1 A 16 16 GLU CB C 16 29.630 29.881 -0.251 1
1 103 . 13 1 1 A 16 16 GLU C C 16 176.727 177.767 -1.040 1
1 106 . 13 1 1 A 17 17 GLU N N 17 120.669 119.714 0.955 1
1 107 . 13 1 1 A 17 17 GLU H H 17 8.841 7.578 1.263 1
1 108 . 13 1 1 A 17 17 GLU CA C 17 58.374 57.368 1.006 1
1 109 . 13 1 1 A 17 17 GLU HA H 17 4.246 4.351 -0.105 1
1 110 . 13 1 1 A 17 17 GLU CB C 17 29.475 30.380 -0.905 1
1 114 . 13 1 1 A 17 17 GLU C C 17 177.380 178.048 -0.668 1
1 117 . 13 1 1 A 18 18 CYS N N 18 114.881 115.104 -0.223 1
1 118 . 13 1 1 A 18 18 CYS H H 18 8.097 8.236 -0.139 1
1 119 . 13 1 1 A 18 18 CYS CA C 18 58.406 59.484 -1.078 1
1 120 . 13 1 1 A 18 18 CYS HA H 18 5.201 4.775 0.426 1
1 121 . 13 1 1 A 18 18 CYS CB C 18 32.573 30.313 2.260 1
1 123 . 13 1 1 A 18 18 CYS C C 18 176.431 175.747 0.684 1
1 125 . 13 1 1 A 19 19 GLY N N 19 113.739 110.350 3.389 1
1 126 . 13 1 1 A 19 19 GLY H H 19 8.213 8.327 -0.114 1
1 127 . 13 1 1 A 19 19 GLY CA C 19 46.251 45.884 0.367 1
1 128 . 13 1 1 A 19 19 GLY HA3 H 19 4.264 4.022 0.242 1
1 129 . 13 1 1 A 19 19 GLY C C 19 173.590 174.456 -0.866 1
1 130 . 13 1 1 A 19 19 GLY HA2 H 19 3.805 4.004 -0.199 1
1 131 . 13 1 1 A 20 20 LYS N N 20 123.026 120.798 2.228 1
1 132 . 13 1 1 A 20 20 LYS H H 20 7.945 7.748 0.197 1
1 133 . 13 1 1 A 20 20 LYS CA C 20 58.313 54.486 3.827 1
1 134 . 13 1 1 A 20 20 LYS HA H 20 3.959 4.517 -0.558 1
1 135 . 13 1 1 A 20 20 LYS CB C 20 33.856 34.357 -0.501 1
1 142 . 13 1 1 A 20 20 LYS C C 20 174.525 176.044 -1.519 1
1 147 . 13 1 1 A 21 21 GLY N N 21 108.257 112.961 -4.704 1
1 148 . 13 1 1 A 21 21 GLY H H 21 7.930 8.604 -0.674 1
1 149 . 13 1 1 A 21 21 GLY CA C 21 44.040 45.023 -0.983 1
1 150 . 13 1 1 A 21 21 GLY HA3 H 21 4.917 3.923 0.994 1
1 151 . 13 1 1 A 21 21 GLY C C 21 172.346 172.558 -0.212 1
1 152 . 13 1 1 A 21 21 GLY HA2 H 21 3.302 3.875 -0.573 1
1 153 . 13 1 1 A 22 22 PHE N N 22 117.898 121.198 -3.300 1
1 154 . 13 1 1 A 22 22 PHE H H 22 8.698 8.977 -0.279 1
1 155 . 13 1 1 A 22 22 PHE CA C 22 57.478 56.459 1.019 1
1 156 . 13 1 1 A 22 22 PHE HA H 22 4.736 5.007 -0.271 1
1 157 . 13 1 1 A 22 22 PHE CB C 22 43.762 43.423 0.339 1
1 169 . 13 1 1 A 22 22 PHE C C 22 175.511 175.597 -0.086 1
1 171 . 13 1 1 A 23 23 ILE N N 23 117.272 119.366 -2.094 1
1 172 . 13 1 1 A 23 23 ILE H H 23 9.358 8.834 0.524 1
1 173 . 13 1 1 A 23 23 ILE CA C 23 62.295 62.234 0.061 1
1 174 . 13 1 1 A 23 23 ILE HA H 23 4.392 4.251 0.141 1
1 175 . 13 1 1 A 23 23 ILE CB C 23 39.428 38.443 0.985 1
1 187 . 13 1 1 A 23 23 ILE C C 23 175.245 175.770 -0.525 1
1 189 . 13 1 1 A 24 24 CYS N N 24 112.667 120.335 -7.668 1
1 190 . 13 1 1 A 24 24 CYS H H 24 7.593 7.990 -0.397 1
1 191 . 13 1 1 A 24 24 CYS CA C 24 55.415 57.860 -2.445 1
1 192 . 13 1 1 A 24 24 CYS HA H 24 4.902 5.023 -0.121 1
1 193 . 13 1 1 A 24 24 CYS CB C 24 30.722 32.396 -1.674 1
1 195 . 13 1 1 A 24 24 CYS C C 24 173.592 174.220 -0.628 1
1 197 . 13 1 1 A 25 25 ARG N N 25 124.960 124.704 0.256 1
1 198 . 13 1 1 A 25 25 ARG H H 25 8.413 9.085 -0.672 1
1 199 . 13 1 1 A 25 25 ARG CA C 25 59.380 59.680 -0.300 1
1 200 . 13 1 1 A 25 25 ARG HA H 25 3.000 3.691 -0.691 1
1 201 . 13 1 1 A 25 25 ARG CB C 25 29.593 30.599 -1.006 1
1 207 . 13 1 1 A 25 25 ARG C C 25 177.723 178.129 -0.406 1
1 211 . 13 1 1 A 26 26 ARG N N 26 119.340 118.495 0.845 1
1 212 . 13 1 1 A 26 26 ARG H H 26 8.556 8.097 0.459 1
1 213 . 13 1 1 A 26 26 ARG CA C 26 59.426 58.874 0.552 1
1 214 . 13 1 1 A 26 26 ARG HA H 26 3.916 4.067 -0.151 1
1 215 . 13 1 1 A 26 26 ARG CB C 26 29.598 30.103 -0.505 1
1 221 . 13 1 1 A 26 26 ARG C C 26 178.094 177.886 0.208 1
1 225 . 13 1 1 A 27 27 ASP N N 27 119.260 119.870 -0.610 1
1 226 . 13 1 1 A 27 27 ASP H H 27 7.230 7.965 -0.735 1
1 227 . 13 1 1 A 27 27 ASP CA C 27 56.644 57.176 -0.532 1
1 228 . 13 1 1 A 27 27 ASP HA H 27 4.313 4.395 -0.082 1
1 229 . 13 1 1 A 27 27 ASP CB C 27 40.265 40.620 -0.355 1
1 231 . 13 1 1 A 27 27 ASP C C 27 178.277 178.381 -0.104 1
1 233 . 13 1 1 A 28 28 LEU N N 28 122.446 120.999 1.447 1
1 234 . 13 1 1 A 28 28 LEU H H 28 6.896 7.630 -0.734 1
1 235 . 13 1 1 A 28 28 LEU CA C 28 57.691 57.637 0.054 1
1 236 . 13 1 1 A 28 28 LEU HA H 28 3.060 2.780 0.280 1
1 237 . 13 1 1 A 28 28 LEU CB C 28 40.529 41.602 -1.073 1
1 249 . 13 1 1 A 28 28 LEU C C 28 176.873 177.867 -0.994 1
1 251 . 13 1 1 A 29 29 TYR N N 29 118.891 118.058 0.833 1
1 252 . 13 1 1 A 29 29 TYR H H 29 8.132 8.611 -0.479 1
1 253 . 13 1 1 A 29 29 TYR CA C 29 59.994 60.603 -0.609 1
1 254 . 13 1 1 A 29 29 TYR HA H 29 4.244 4.266 -0.022 1
1 255 . 13 1 1 A 29 29 TYR CB C 29 36.781 38.368 -1.587 1
1 265 . 13 1 1 A 29 29 TYR C C 29 179.157 178.415 0.742 1
1 267 . 13 1 1 A 30 30 THR N N 30 115.895 115.511 0.384 1
1 268 . 13 1 1 A 30 30 THR H H 30 8.209 8.683 -0.474 1
1 269 . 13 1 1 A 30 30 THR CA C 30 66.204 66.667 -0.463 1
1 270 . 13 1 1 A 30 30 THR HA H 30 3.916 3.944 -0.028 1
1 271 . 13 1 1 A 30 30 THR CB C 30 68.718 68.667 0.051 1
1 277 . 13 1 1 A 30 30 THR C C 30 176.781 176.456 0.325 1
1 278 . 13 1 1 A 31 31 HIS N N 31 122.097 121.770 0.327 1
1 279 . 13 1 1 A 31 31 HIS H H 31 7.587 8.059 -0.472 1
1 280 . 13 1 1 A 31 31 HIS CA C 31 59.221 59.520 -0.299 1
1 281 . 13 1 1 A 31 31 HIS HA H 31 4.204 4.308 -0.104 1
1 282 . 13 1 1 A 31 31 HIS CB C 31 28.238 30.019 -1.781 1
1 288 . 13 1 1 A 31 31 HIS C C 31 176.085 177.238 -1.153 1
1 290 . 13 1 1 A 32 32 HIS N N 32 117.054 119.142 -2.088 1
1 291 . 13 1 1 A 32 32 HIS H H 32 8.430 7.852 0.578 1
1 292 . 13 1 1 A 32 32 HIS CA C 32 59.270 59.572 -0.302 1
1 293 . 13 1 1 A 32 32 HIS HA H 32 4.057 3.948 0.109 1
1 294 . 13 1 1 A 32 32 HIS CB C 32 30.135 30.041 0.094 1
1 300 . 13 1 1 A 32 32 HIS C C 32 176.903 177.320 -0.417 1
1 302 . 13 1 1 A 33 33 MET N N 33 115.224 118.191 -2.967 1
1 303 . 13 1 1 A 33 33 MET H H 33 7.167 7.829 -0.662 1
1 304 . 13 1 1 A 33 33 MET CA C 33 57.787 58.356 -0.569 1
1 305 . 13 1 1 A 33 33 MET HA H 33 4.232 4.085 0.147 1
1 306 . 13 1 1 A 33 33 MET CB C 33 32.279 32.347 -0.068 1
1 314 . 13 1 1 A 33 33 MET C C 33 178.493 178.188 0.305 1
1 317 . 13 1 1 A 34 34 VAL N N 34 117.328 117.223 0.105 1
1 318 . 13 1 1 A 34 34 VAL H H 34 8.026 8.146 -0.120 1
1 319 . 13 1 1 A 34 34 VAL CA C 34 64.228 65.225 -0.997 1
1 320 . 13 1 1 A 34 34 VAL HA H 34 3.882 3.718 0.164 1
1 321 . 13 1 1 A 34 34 VAL CB C 34 31.061 31.279 -0.218 1
1 331 . 13 1 1 A 34 34 VAL C C 34 177.569 176.848 0.721 1
1 332 . 13 1 1 A 35 35 HIS N N 35 117.001 120.019 -3.018 1
1 333 . 13 1 1 A 35 35 HIS H H 35 7.262 7.588 -0.326 1
1 334 . 13 1 1 A 35 35 HIS CA C 35 55.398 58.296 -2.898 1
1 335 . 13 1 1 A 35 35 HIS HA H 35 4.799 4.370 0.429 1
1 336 . 13 1 1 A 35 35 HIS CB C 35 28.605 30.331 -1.726 1
1 342 . 13 1 1 A 35 35 HIS C C 35 175.891 176.545 -0.654 1
1 344 . 13 1 1 A 36 36 THR N N 36 110.979 111.325 -0.346 1
1 345 . 13 1 1 A 36 36 THR H H 36 7.665 8.043 -0.378 1
1 346 . 13 1 1 A 36 36 THR CA C 36 62.565 63.685 -1.120 1
1 347 . 13 1 1 A 36 36 THR HA H 36 4.329 4.219 0.110 1
1 348 . 13 1 1 A 36 36 THR CB C 36 69.832 69.315 0.517 1
1 354 . 13 1 1 A 36 36 THR C C 36 175.484 175.888 -0.404 1
1 355 . 13 1 1 A 37 37 GLY N N 37 110.523 109.601 0.922 1
1 356 . 13 1 1 A 37 37 GLY H H 37 8.180 7.756 0.424 1
1 357 . 13 1 1 A 37 37 GLY CA C 37 45.329 45.208 0.121 1
1 358 . 13 1 1 A 37 37 GLY HA3 H 37 4.019 3.939 0.080 1
1 359 . 13 1 1 A 37 37 GLY C C 37 174.008 173.005 1.003 1
1 360 . 13 1 1 A 37 37 GLY HA2 H 37 3.962 3.926 0.036 1
1 361 . 13 1 1 A 38 38 GLU N N 38 120.488 114.448 6.040 1
1 362 . 13 1 1 A 38 38 GLU H H 38 8.069 7.950 0.119 1
1 363 . 13 1 1 A 38 38 GLU CA C 38 56.503 57.321 -0.818 1
1 364 . 13 1 1 A 38 38 GLU HA H 38 4.246 3.831 0.415 1
1 365 . 13 1 1 A 38 38 GLU CB C 38 30.654 27.648 3.006 1
1 371 . 13 1 1 A 39 39 LYS N N 39 123.332 117.456 5.876 1
1 372 . 13 1 1 A 39 39 LYS H H 39 8.335 7.545 0.790 1
1 373 . 13 1 1 A 39 39 LYS CA C 39 53.992 55.156 -1.164 1
1 374 . 13 1 1 A 39 39 LYS HA H 39 4.632 4.451 0.181 1
1 375 . 13 1 1 A 39 39 LYS CB C 39 32.631 32.242 0.389 1
1 387 . 13 1 1 A 40 40 PRO CA C 40 63.250 62.828 0.422 1
1 388 . 13 1 1 A 40 40 PRO HA H 40 4.474 4.614 -0.140 1
1 389 . 13 1 1 A 40 40 PRO CB C 40 32.174 31.696 0.478 1
1 398 . 13 1 1 A 42 42 GLY CA C 42 44.688 45.282 -0.594 1
1 399 . 13 1 1 A 42 42 GLY HA3 H 42 4.109 4.195 -0.086 1
1 400 . 13 1 1 A 42 42 GLY HA2 H 42 4.169 4.194 -0.025 1
1 401 . 13 1 1 A 43 43 PRO CA C 43 63.207 63.917 -0.710 1
1 402 . 13 1 1 A 43 43 PRO HA H 43 4.465 4.545 -0.080 1
1 403 . 13 1 1 A 43 43 PRO CB C 43 32.213 31.562 0.651 1
1 412 . 13 1 1 A 45 45 SER CA C 45 58.377 57.362 1.015 1
1 413 . 13 1 1 A 45 45 SER HA H 45 4.447 4.951 -0.504 1
1 414 . 13 1 1 A 45 45 SER CB C 45 64.066 65.598 -1.532 1
1 415 . 13 1 1 A 45 45 SER C C 45 173.889 174.436 -0.547 1
1 1 . 14 1 1 A 8 8 THR N N 8 112.844 110.087 2.757 1
1 2 . 14 1 1 A 8 8 THR H H 8 8.151 7.948 0.203 1
1 3 . 14 1 1 A 8 8 THR CA C 8 61.903 60.235 1.668 1
1 4 . 14 1 1 A 8 8 THR HA H 8 4.363 4.915 -0.552 1
1 5 . 14 1 1 A 8 8 THR CB C 8 69.727 70.763 -1.036 1
1 11 . 14 1 1 A 8 8 THR C C 8 175.240 175.264 -0.024 1
1 12 . 14 1 1 A 9 9 GLY N N 9 111.083 108.725 2.358 1
1 13 . 14 1 1 A 9 9 GLY H H 9 8.440 8.408 0.032 1
1 14 . 14 1 1 A 9 9 GLY CA C 9 45.249 44.407 0.842 1
1 15 . 14 1 1 A 9 9 GLY HA3 H 9 3.973 4.047 -0.074 1
1 16 . 14 1 1 A 9 9 GLY C C 9 174.005 172.482 1.523 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 3.925 4.045 -0.120 1
1 18 . 14 1 1 A 10 10 GLU N N 10 120.520 121.631 -1.111 1
1 19 . 14 1 1 A 10 10 GLU H H 10 8.187 8.338 -0.151 1
1 20 . 14 1 1 A 10 10 GLU CA C 10 56.547 56.245 0.302 1
1 21 . 14 1 1 A 10 10 GLU HA H 10 4.204 4.382 -0.178 1
1 22 . 14 1 1 A 10 10 GLU CB C 10 30.461 30.210 0.251 1
1 28 . 14 1 1 A 11 11 LYS N N 11 122.559 127.635 -5.076 1
1 29 . 14 1 1 A 11 11 LYS H H 11 8.393 8.606 -0.213 1
1 30 . 14 1 1 A 11 11 LYS CA C 11 53.799 54.279 -0.480 1
1 31 . 14 1 1 A 11 11 LYS HA H 11 4.462 4.384 0.078 1
1 32 . 14 1 1 A 11 11 LYS CB C 11 32.248 31.914 0.334 1
1 44 . 14 1 1 A 12 12 PRO CA C 12 63.975 64.578 -0.603 1
1 45 . 14 1 1 A 12 12 PRO HA H 12 4.191 4.344 -0.153 1
1 46 . 14 1 1 A 12 12 PRO CB C 12 32.032 32.002 0.030 1
1 51 . 14 1 1 A 12 12 PRO C C 12 176.302 175.881 0.421 1
1 55 . 14 1 1 A 13 13 TYR N N 13 117.435 117.714 -0.279 1
1 56 . 14 1 1 A 13 13 TYR H H 13 7.669 7.224 0.445 1
1 57 . 14 1 1 A 13 13 TYR CA C 13 57.269 56.793 0.476 1
1 58 . 14 1 1 A 13 13 TYR HA H 13 4.691 5.362 -0.671 1
1 59 . 14 1 1 A 13 13 TYR CB C 13 38.999 41.409 -2.410 1
1 69 . 14 1 1 A 13 13 TYR C C 13 174.478 174.208 0.270 1
1 71 . 14 1 1 A 14 14 LYS N N 14 123.791 124.830 -1.039 1
1 72 . 14 1 1 A 14 14 LYS H H 14 8.654 9.090 -0.436 1
1 73 . 14 1 1 A 14 14 LYS CA C 14 54.812 54.242 0.570 1
1 74 . 14 1 1 A 14 14 LYS HA H 14 5.127 5.104 0.023 1
1 75 . 14 1 1 A 14 14 LYS CB C 14 35.391 36.208 -0.817 1
1 82 . 14 1 1 A 14 14 LYS C C 14 175.398 174.823 0.575 1
1 87 . 14 1 1 A 15 15 CYS N N 15 126.096 124.212 1.884 1
1 88 . 14 1 1 A 15 15 CYS H H 15 9.178 9.093 0.085 1
1 89 . 14 1 1 A 15 15 CYS CA C 15 59.645 59.704 -0.059 1
1 90 . 14 1 1 A 15 15 CYS HA H 15 4.650 4.631 0.019 1
1 91 . 14 1 1 A 15 15 CYS CB C 15 30.010 28.508 1.502 1
1 93 . 14 1 1 A 15 15 CYS C C 15 177.625 175.247 2.378 1
1 95 . 14 1 1 A 16 16 GLU N N 16 115.168 125.551 -10.383 1
1 96 . 14 1 1 A 16 16 GLU H H 16 9.873 9.075 0.798 1
1 97 . 14 1 1 A 16 16 GLU CA C 16 58.804 57.978 0.826 1
1 98 . 14 1 1 A 16 16 GLU HA H 16 4.169 4.303 -0.134 1
1 99 . 14 1 1 A 16 16 GLU CB C 16 29.630 30.279 -0.649 1
1 103 . 14 1 1 A 16 16 GLU C C 16 176.727 178.684 -1.957 1
1 106 . 14 1 1 A 17 17 GLU N N 17 120.669 118.864 1.805 1
1 107 . 14 1 1 A 17 17 GLU H H 17 8.841 7.629 1.212 1
1 108 . 14 1 1 A 17 17 GLU CA C 17 58.374 58.934 -0.560 1
1 109 . 14 1 1 A 17 17 GLU HA H 17 4.246 4.030 0.216 1
1 110 . 14 1 1 A 17 17 GLU CB C 17 29.475 29.361 0.114 1
1 114 . 14 1 1 A 17 17 GLU C C 17 177.380 178.018 -0.638 1
1 117 . 14 1 1 A 18 18 CYS N N 18 114.881 114.389 0.492 1
1 118 . 14 1 1 A 18 18 CYS H H 18 8.097 7.431 0.666 1
1 119 . 14 1 1 A 18 18 CYS CA C 18 58.406 59.299 -0.893 1
1 120 . 14 1 1 A 18 18 CYS HA H 18 5.201 4.745 0.456 1
1 121 . 14 1 1 A 18 18 CYS CB C 18 32.573 30.358 2.215 1
1 123 . 14 1 1 A 18 18 CYS C C 18 176.431 175.889 0.542 1
1 125 . 14 1 1 A 19 19 GLY N N 19 113.739 109.097 4.642 1
1 126 . 14 1 1 A 19 19 GLY H H 19 8.213 8.032 0.181 1
1 127 . 14 1 1 A 19 19 GLY CA C 19 46.251 46.444 -0.193 1
1 128 . 14 1 1 A 19 19 GLY HA3 H 19 4.264 4.016 0.248 1
1 129 . 14 1 1 A 19 19 GLY C C 19 173.590 174.927 -1.337 1
1 130 . 14 1 1 A 19 19 GLY HA2 H 19 3.805 4.002 -0.197 1
1 131 . 14 1 1 A 20 20 LYS N N 20 123.026 120.317 2.709 1
1 132 . 14 1 1 A 20 20 LYS H H 20 7.945 8.010 -0.065 1
1 133 . 14 1 1 A 20 20 LYS CA C 20 58.313 57.786 0.527 1
1 134 . 14 1 1 A 20 20 LYS HA H 20 3.959 4.261 -0.302 1
1 135 . 14 1 1 A 20 20 LYS CB C 20 33.856 33.788 0.068 1
1 142 . 14 1 1 A 20 20 LYS C C 20 174.525 176.390 -1.865 1
1 147 . 14 1 1 A 21 21 GLY N N 21 108.257 105.654 2.603 1
1 148 . 14 1 1 A 21 21 GLY H H 21 7.930 7.206 0.724 1
1 149 . 14 1 1 A 21 21 GLY CA C 21 44.040 44.678 -0.638 1
1 150 . 14 1 1 A 21 21 GLY HA3 H 21 4.917 3.974 0.943 1
1 151 . 14 1 1 A 21 21 GLY C C 21 172.346 172.291 0.055 1
1 152 . 14 1 1 A 21 21 GLY HA2 H 21 3.302 3.864 -0.562 1
1 153 . 14 1 1 A 22 22 PHE N N 22 117.898 121.557 -3.659 1
1 154 . 14 1 1 A 22 22 PHE H H 22 8.698 9.252 -0.554 1
1 155 . 14 1 1 A 22 22 PHE CA C 22 57.478 56.387 1.091 1
1 156 . 14 1 1 A 22 22 PHE HA H 22 4.736 5.195 -0.459 1
1 157 . 14 1 1 A 22 22 PHE CB C 22 43.762 43.908 -0.146 1
1 169 . 14 1 1 A 22 22 PHE C C 22 175.511 175.493 0.018 1
1 171 . 14 1 1 A 23 23 ILE N N 23 117.272 120.590 -3.318 1
1 172 . 14 1 1 A 23 23 ILE H H 23 9.358 8.820 0.538 1
1 173 . 14 1 1 A 23 23 ILE CA C 23 62.295 62.610 -0.315 1
1 174 . 14 1 1 A 23 23 ILE HA H 23 4.392 4.298 0.094 1
1 175 . 14 1 1 A 23 23 ILE CB C 23 39.428 38.553 0.875 1
1 187 . 14 1 1 A 23 23 ILE C C 23 175.245 176.630 -1.385 1
1 189 . 14 1 1 A 24 24 CYS N N 24 112.667 120.098 -7.431 1
1 190 . 14 1 1 A 24 24 CYS H H 24 7.593 7.815 -0.222 1
1 191 . 14 1 1 A 24 24 CYS CA C 24 55.415 58.363 -2.948 1
1 192 . 14 1 1 A 24 24 CYS HA H 24 4.902 4.478 0.424 1
1 193 . 14 1 1 A 24 24 CYS CB C 24 30.722 28.907 1.815 1
1 195 . 14 1 1 A 24 24 CYS C C 24 173.592 174.947 -1.355 1
1 197 . 14 1 1 A 25 25 ARG N N 25 124.960 123.983 0.977 1
1 198 . 14 1 1 A 25 25 ARG H H 25 8.413 8.686 -0.273 1
1 199 . 14 1 1 A 25 25 ARG CA C 25 59.380 58.396 0.984 1
1 200 . 14 1 1 A 25 25 ARG HA H 25 3.000 2.857 0.143 1
1 201 . 14 1 1 A 25 25 ARG CB C 25 29.593 29.759 -0.166 1
1 207 . 14 1 1 A 25 25 ARG C C 25 177.723 178.027 -0.304 1
1 211 . 14 1 1 A 26 26 ARG N N 26 119.340 117.802 1.538 1
1 212 . 14 1 1 A 26 26 ARG H H 26 8.556 8.031 0.525 1
1 213 . 14 1 1 A 26 26 ARG CA C 26 59.426 58.935 0.491 1
1 214 . 14 1 1 A 26 26 ARG HA H 26 3.916 4.063 -0.147 1
1 215 . 14 1 1 A 26 26 ARG CB C 26 29.598 30.002 -0.404 1
1 221 . 14 1 1 A 26 26 ARG C C 26 178.094 178.052 0.042 1
1 225 . 14 1 1 A 27 27 ASP N N 27 119.260 119.863 -0.603 1
1 226 . 14 1 1 A 27 27 ASP H H 27 7.230 8.112 -0.882 1
1 227 . 14 1 1 A 27 27 ASP CA C 27 56.644 57.579 -0.935 1
1 228 . 14 1 1 A 27 27 ASP HA H 27 4.313 4.171 0.142 1
1 229 . 14 1 1 A 27 27 ASP CB C 27 40.265 40.102 0.163 1
1 231 . 14 1 1 A 27 27 ASP C C 27 178.277 178.381 -0.104 1
1 233 . 14 1 1 A 28 28 LEU N N 28 122.446 120.947 1.499 1
1 234 . 14 1 1 A 28 28 LEU H H 28 6.896 7.817 -0.921 1
1 235 . 14 1 1 A 28 28 LEU CA C 28 57.691 57.998 -0.307 1
1 236 . 14 1 1 A 28 28 LEU HA H 28 3.060 3.205 -0.145 1
1 237 . 14 1 1 A 28 28 LEU CB C 28 40.529 41.694 -1.165 1
1 249 . 14 1 1 A 28 28 LEU C C 28 176.873 177.847 -0.974 1
1 251 . 14 1 1 A 29 29 TYR N N 29 118.891 118.344 0.547 1
1 252 . 14 1 1 A 29 29 TYR H H 29 8.132 7.946 0.186 1
1 253 . 14 1 1 A 29 29 TYR CA C 29 59.994 60.048 -0.054 1
1 254 . 14 1 1 A 29 29 TYR HA H 29 4.244 4.211 0.033 1
1 255 . 14 1 1 A 29 29 TYR CB C 29 36.781 37.635 -0.854 1
1 265 . 14 1 1 A 29 29 TYR C C 29 179.157 178.479 0.678 1
1 267 . 14 1 1 A 30 30 THR N N 30 115.895 115.759 0.136 1
1 268 . 14 1 1 A 30 30 THR H H 30 8.209 8.210 -0.001 1
1 269 . 14 1 1 A 30 30 THR CA C 30 66.204 66.399 -0.195 1
1 270 . 14 1 1 A 30 30 THR HA H 30 3.916 3.975 -0.059 1
1 271 . 14 1 1 A 30 30 THR CB C 30 68.718 68.280 0.438 1
1 277 . 14 1 1 A 30 30 THR C C 30 176.781 176.218 0.563 1
1 278 . 14 1 1 A 31 31 HIS N N 31 122.097 121.600 0.497 1
1 279 . 14 1 1 A 31 31 HIS H H 31 7.587 7.941 -0.354 1
1 280 . 14 1 1 A 31 31 HIS CA C 31 59.221 59.462 -0.241 1
1 281 . 14 1 1 A 31 31 HIS HA H 31 4.204 4.201 0.003 1
1 282 . 14 1 1 A 31 31 HIS CB C 31 28.238 29.501 -1.263 1
1 288 . 14 1 1 A 31 31 HIS C C 31 176.085 177.383 -1.298 1
1 290 . 14 1 1 A 32 32 HIS N N 32 117.054 119.136 -2.082 1
1 291 . 14 1 1 A 32 32 HIS H H 32 8.430 7.916 0.514 1
1 292 . 14 1 1 A 32 32 HIS CA C 32 59.270 59.512 -0.242 1
1 293 . 14 1 1 A 32 32 HIS HA H 32 4.057 4.063 -0.006 1
1 294 . 14 1 1 A 32 32 HIS CB C 32 30.135 30.165 -0.030 1
1 300 . 14 1 1 A 32 32 HIS C C 32 176.903 177.170 -0.267 1
1 302 . 14 1 1 A 33 33 MET N N 33 115.224 118.120 -2.896 1
1 303 . 14 1 1 A 33 33 MET H H 33 7.167 7.798 -0.631 1
1 304 . 14 1 1 A 33 33 MET CA C 33 57.787 58.502 -0.715 1
1 305 . 14 1 1 A 33 33 MET HA H 33 4.232 4.074 0.158 1
1 306 . 14 1 1 A 33 33 MET CB C 33 32.279 32.548 -0.269 1
1 314 . 14 1 1 A 33 33 MET C C 33 178.493 178.229 0.264 1
1 317 . 14 1 1 A 34 34 VAL N N 34 117.328 115.603 1.725 1
1 318 . 14 1 1 A 34 34 VAL H H 34 8.026 7.517 0.509 1
1 319 . 14 1 1 A 34 34 VAL CA C 34 64.228 64.361 -0.133 1
1 320 . 14 1 1 A 34 34 VAL HA H 34 3.882 3.779 0.103 1
1 321 . 14 1 1 A 34 34 VAL CB C 34 31.061 31.140 -0.079 1
1 331 . 14 1 1 A 34 34 VAL C C 34 177.569 176.426 1.143 1
1 332 . 14 1 1 A 35 35 HIS N N 35 117.001 119.686 -2.685 1
1 333 . 14 1 1 A 35 35 HIS H H 35 7.262 7.786 -0.524 1
1 334 . 14 1 1 A 35 35 HIS CA C 35 55.398 55.332 0.066 1
1 335 . 14 1 1 A 35 35 HIS HA H 35 4.799 4.648 0.151 1
1 336 . 14 1 1 A 35 35 HIS CB C 35 28.605 29.734 -1.129 1
1 342 . 14 1 1 A 35 35 HIS C C 35 175.891 175.356 0.535 1
1 344 . 14 1 1 A 36 36 THR N N 36 110.979 109.915 1.064 1
1 345 . 14 1 1 A 36 36 THR H H 36 7.665 7.689 -0.024 1
1 346 . 14 1 1 A 36 36 THR CA C 36 62.565 62.184 0.381 1
1 347 . 14 1 1 A 36 36 THR HA H 36 4.329 4.321 0.008 1
1 348 . 14 1 1 A 36 36 THR CB C 36 69.832 70.299 -0.467 1
1 354 . 14 1 1 A 36 36 THR C C 36 175.484 176.159 -0.675 1
1 355 . 14 1 1 A 37 37 GLY N N 37 110.523 110.559 -0.036 1
1 356 . 14 1 1 A 37 37 GLY H H 37 8.180 7.811 0.369 1
1 357 . 14 1 1 A 37 37 GLY CA C 37 45.329 47.199 -1.870 1
1 358 . 14 1 1 A 37 37 GLY HA3 H 37 4.019 3.716 0.303 1
1 359 . 14 1 1 A 37 37 GLY C C 37 174.008 174.077 -0.069 1
1 360 . 14 1 1 A 37 37 GLY HA2 H 37 3.962 3.707 0.255 1
1 361 . 14 1 1 A 38 38 GLU N N 38 120.488 116.941 3.547 1
1 362 . 14 1 1 A 38 38 GLU H H 38 8.069 7.990 0.079 1
1 363 . 14 1 1 A 38 38 GLU CA C 38 56.503 54.278 2.225 1
1 364 . 14 1 1 A 38 38 GLU HA H 38 4.246 4.826 -0.580 1
1 365 . 14 1 1 A 38 38 GLU CB C 38 30.654 34.032 -3.378 1
1 371 . 14 1 1 A 39 39 LYS N N 39 123.332 121.160 2.172 1
1 372 . 14 1 1 A 39 39 LYS H H 39 8.335 8.433 -0.098 1
1 373 . 14 1 1 A 39 39 LYS CA C 39 53.992 55.143 -1.151 1
1 374 . 14 1 1 A 39 39 LYS HA H 39 4.632 4.307 0.325 1
1 375 . 14 1 1 A 39 39 LYS CB C 39 32.631 31.791 0.840 1
1 387 . 14 1 1 A 40 40 PRO CA C 40 63.250 63.614 -0.364 1
1 388 . 14 1 1 A 40 40 PRO HA H 40 4.474 4.494 -0.020 1
1 389 . 14 1 1 A 40 40 PRO CB C 40 32.174 32.033 0.141 1
1 398 . 14 1 1 A 42 42 GLY CA C 42 44.688 44.871 -0.183 1
1 399 . 14 1 1 A 42 42 GLY HA3 H 42 4.109 4.046 0.063 1
1 400 . 14 1 1 A 42 42 GLY HA2 H 42 4.169 4.044 0.125 1
1 401 . 14 1 1 A 43 43 PRO CA C 43 63.207 64.679 -1.472 1
1 402 . 14 1 1 A 43 43 PRO HA H 43 4.465 4.419 0.046 1
1 403 . 14 1 1 A 43 43 PRO CB C 43 32.213 31.918 0.295 1
1 412 . 14 1 1 A 45 45 SER CA C 45 58.377 57.569 0.808 1
1 413 . 14 1 1 A 45 45 SER HA H 45 4.447 4.494 -0.047 1
1 414 . 14 1 1 A 45 45 SER CB C 45 64.066 62.330 1.736 1
1 415 . 14 1 1 A 45 45 SER C C 45 173.889 175.128 -1.239 1
1 1 . 15 1 1 A 8 8 THR N N 8 112.844 111.973 0.871 1
1 2 . 15 1 1 A 8 8 THR H H 8 8.151 8.110 0.041 1
1 3 . 15 1 1 A 8 8 THR CA C 8 61.903 60.172 1.731 1
1 4 . 15 1 1 A 8 8 THR HA H 8 4.363 5.117 -0.754 1
1 5 . 15 1 1 A 8 8 THR CB C 8 69.727 71.204 -1.477 1
1 11 . 15 1 1 A 8 8 THR C C 8 175.240 174.184 1.056 1
1 12 . 15 1 1 A 9 9 GLY N N 9 111.083 108.364 2.719 1
1 13 . 15 1 1 A 9 9 GLY H H 9 8.440 8.285 0.155 1
1 14 . 15 1 1 A 9 9 GLY CA C 9 45.249 45.849 -0.600 1
1 15 . 15 1 1 A 9 9 GLY HA3 H 9 3.973 4.148 -0.175 1
1 16 . 15 1 1 A 9 9 GLY C C 9 174.005 171.966 2.039 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 3.925 4.145 -0.220 1
1 18 . 15 1 1 A 10 10 GLU N N 10 120.520 123.995 -3.475 1
1 19 . 15 1 1 A 10 10 GLU H H 10 8.187 8.969 -0.782 1
1 20 . 15 1 1 A 10 10 GLU CA C 10 56.547 54.923 1.624 1
1 21 . 15 1 1 A 10 10 GLU HA H 10 4.204 4.960 -0.756 1
1 22 . 15 1 1 A 10 10 GLU CB C 10 30.461 32.678 -2.217 1
1 28 . 15 1 1 A 11 11 LYS N N 11 122.559 125.201 -2.642 1
1 29 . 15 1 1 A 11 11 LYS H H 11 8.393 8.842 -0.449 1
1 30 . 15 1 1 A 11 11 LYS CA C 11 53.799 53.816 -0.017 1
1 31 . 15 1 1 A 11 11 LYS HA H 11 4.462 4.571 -0.109 1
1 32 . 15 1 1 A 11 11 LYS CB C 11 32.248 32.040 0.208 1
1 44 . 15 1 1 A 12 12 PRO CA C 12 63.975 64.390 -0.415 1
1 45 . 15 1 1 A 12 12 PRO HA H 12 4.191 4.273 -0.082 1
1 46 . 15 1 1 A 12 12 PRO CB C 12 32.032 31.895 0.137 1
1 51 . 15 1 1 A 12 12 PRO C C 12 176.302 175.767 0.535 1
1 55 . 15 1 1 A 13 13 TYR N N 13 117.435 118.015 -0.580 1
1 56 . 15 1 1 A 13 13 TYR H H 13 7.669 7.165 0.504 1
1 57 . 15 1 1 A 13 13 TYR CA C 13 57.269 56.394 0.875 1
1 58 . 15 1 1 A 13 13 TYR HA H 13 4.691 5.320 -0.629 1
1 59 . 15 1 1 A 13 13 TYR CB C 13 38.999 42.903 -3.904 1
1 69 . 15 1 1 A 13 13 TYR C C 13 174.478 174.093 0.385 1
1 71 . 15 1 1 A 14 14 LYS N N 14 123.791 124.042 -0.251 1
1 72 . 15 1 1 A 14 14 LYS H H 14 8.654 9.138 -0.484 1
1 73 . 15 1 1 A 14 14 LYS CA C 14 54.812 54.351 0.461 1
1 74 . 15 1 1 A 14 14 LYS HA H 14 5.127 5.149 -0.022 1
1 75 . 15 1 1 A 14 14 LYS CB C 14 35.391 36.194 -0.803 1
1 82 . 15 1 1 A 14 14 LYS C C 14 175.398 175.088 0.310 1
1 87 . 15 1 1 A 15 15 CYS N N 15 126.096 124.292 1.804 1
1 88 . 15 1 1 A 15 15 CYS H H 15 9.178 9.178 0.000 1
1 89 . 15 1 1 A 15 15 CYS CA C 15 59.645 59.923 -0.278 1
1 90 . 15 1 1 A 15 15 CYS HA H 15 4.650 4.637 0.013 1
1 91 . 15 1 1 A 15 15 CYS CB C 15 30.010 28.435 1.575 1
1 93 . 15 1 1 A 15 15 CYS C C 15 177.625 176.098 1.527 1
1 95 . 15 1 1 A 16 16 GLU N N 16 115.168 127.696 -12.528 1
1 96 . 15 1 1 A 16 16 GLU H H 16 9.873 9.050 0.823 1
1 97 . 15 1 1 A 16 16 GLU CA C 16 58.804 58.757 0.047 1
1 98 . 15 1 1 A 16 16 GLU HA H 16 4.169 4.264 -0.095 1
1 99 . 15 1 1 A 16 16 GLU CB C 16 29.630 29.675 -0.045 1
1 103 . 15 1 1 A 16 16 GLU C C 16 176.727 178.486 -1.759 1
1 106 . 15 1 1 A 17 17 GLU N N 17 120.669 118.697 1.972 1
1 107 . 15 1 1 A 17 17 GLU H H 17 8.841 7.551 1.290 1
1 108 . 15 1 1 A 17 17 GLU CA C 17 58.374 58.705 -0.331 1
1 109 . 15 1 1 A 17 17 GLU HA H 17 4.246 4.010 0.236 1
1 110 . 15 1 1 A 17 17 GLU CB C 17 29.475 29.131 0.344 1
1 114 . 15 1 1 A 17 17 GLU C C 17 177.380 178.184 -0.804 1
1 117 . 15 1 1 A 18 18 CYS N N 18 114.881 114.460 0.421 1
1 118 . 15 1 1 A 18 18 CYS H H 18 8.097 7.543 0.554 1
1 119 . 15 1 1 A 18 18 CYS CA C 18 58.406 59.294 -0.888 1
1 120 . 15 1 1 A 18 18 CYS HA H 18 5.201 4.746 0.455 1
1 121 . 15 1 1 A 18 18 CYS CB C 18 32.573 30.321 2.252 1
1 123 . 15 1 1 A 18 18 CYS C C 18 176.431 175.585 0.846 1
1 125 . 15 1 1 A 19 19 GLY N N 19 113.739 108.781 4.958 1
1 126 . 15 1 1 A 19 19 GLY H H 19 8.213 8.085 0.128 1
1 127 . 15 1 1 A 19 19 GLY CA C 19 46.251 45.081 1.170 1
1 128 . 15 1 1 A 19 19 GLY HA3 H 19 4.264 4.127 0.137 1
1 129 . 15 1 1 A 19 19 GLY C C 19 173.590 174.918 -1.328 1
1 130 . 15 1 1 A 19 19 GLY HA2 H 19 3.805 4.091 -0.286 1
1 131 . 15 1 1 A 20 20 LYS N N 20 123.026 120.227 2.799 1
1 132 . 15 1 1 A 20 20 LYS H H 20 7.945 8.438 -0.493 1
1 133 . 15 1 1 A 20 20 LYS CA C 20 58.313 56.097 2.216 1
1 134 . 15 1 1 A 20 20 LYS HA H 20 3.959 4.474 -0.515 1
1 135 . 15 1 1 A 20 20 LYS CB C 20 33.856 34.125 -0.269 1
1 142 . 15 1 1 A 20 20 LYS C C 20 174.525 176.500 -1.975 1
1 147 . 15 1 1 A 21 21 GLY N N 21 108.257 106.040 2.217 1
1 148 . 15 1 1 A 21 21 GLY H H 21 7.930 7.718 0.212 1
1 149 . 15 1 1 A 21 21 GLY CA C 21 44.040 44.397 -0.357 1
1 150 . 15 1 1 A 21 21 GLY HA3 H 21 4.917 3.944 0.973 1
1 151 . 15 1 1 A 21 21 GLY C C 21 172.346 172.335 0.011 1
1 152 . 15 1 1 A 21 21 GLY HA2 H 21 3.302 3.822 -0.520 1
1 153 . 15 1 1 A 22 22 PHE N N 22 117.898 121.298 -3.400 1
1 154 . 15 1 1 A 22 22 PHE H H 22 8.698 9.217 -0.519 1
1 155 . 15 1 1 A 22 22 PHE CA C 22 57.478 56.481 0.997 1
1 156 . 15 1 1 A 22 22 PHE HA H 22 4.736 5.222 -0.486 1
1 157 . 15 1 1 A 22 22 PHE CB C 22 43.762 44.007 -0.245 1
1 169 . 15 1 1 A 22 22 PHE C C 22 175.511 175.482 0.029 1
1 171 . 15 1 1 A 23 23 ILE N N 23 117.272 120.026 -2.754 1
1 172 . 15 1 1 A 23 23 ILE H H 23 9.358 8.801 0.557 1
1 173 . 15 1 1 A 23 23 ILE CA C 23 62.295 62.704 -0.409 1
1 174 . 15 1 1 A 23 23 ILE HA H 23 4.392 4.303 0.089 1
1 175 . 15 1 1 A 23 23 ILE CB C 23 39.428 38.297 1.131 1
1 187 . 15 1 1 A 23 23 ILE C C 23 175.245 176.373 -1.128 1
1 189 . 15 1 1 A 24 24 CYS N N 24 112.667 119.817 -7.150 1
1 190 . 15 1 1 A 24 24 CYS H H 24 7.593 7.854 -0.261 1
1 191 . 15 1 1 A 24 24 CYS CA C 24 55.415 59.051 -3.636 1
1 192 . 15 1 1 A 24 24 CYS HA H 24 4.902 4.465 0.437 1
1 193 . 15 1 1 A 24 24 CYS CB C 24 30.722 28.899 1.823 1
1 195 . 15 1 1 A 24 24 CYS C C 24 173.592 174.390 -0.798 1
1 197 . 15 1 1 A 25 25 ARG N N 25 124.960 125.798 -0.838 1
1 198 . 15 1 1 A 25 25 ARG H H 25 8.413 8.664 -0.251 1
1 199 . 15 1 1 A 25 25 ARG CA C 25 59.380 58.096 1.284 1
1 200 . 15 1 1 A 25 25 ARG HA H 25 3.000 3.412 -0.412 1
1 201 . 15 1 1 A 25 25 ARG CB C 25 29.593 30.025 -0.432 1
1 207 . 15 1 1 A 25 25 ARG C C 25 177.723 178.195 -0.472 1
1 211 . 15 1 1 A 26 26 ARG N N 26 119.340 119.110 0.230 1
1 212 . 15 1 1 A 26 26 ARG H H 26 8.556 7.882 0.674 1
1 213 . 15 1 1 A 26 26 ARG CA C 26 59.426 59.170 0.256 1
1 214 . 15 1 1 A 26 26 ARG HA H 26 3.916 4.136 -0.220 1
1 215 . 15 1 1 A 26 26 ARG CB C 26 29.598 30.140 -0.542 1
1 221 . 15 1 1 A 26 26 ARG C C 26 178.094 178.103 -0.009 1
1 225 . 15 1 1 A 27 27 ASP N N 27 119.260 118.678 0.582 1
1 226 . 15 1 1 A 27 27 ASP H H 27 7.230 8.307 -1.077 1
1 227 . 15 1 1 A 27 27 ASP CA C 27 56.644 56.824 -0.180 1
1 228 . 15 1 1 A 27 27 ASP HA H 27 4.313 4.343 -0.030 1
1 229 . 15 1 1 A 27 27 ASP CB C 27 40.265 40.396 -0.131 1
1 231 . 15 1 1 A 27 27 ASP C C 27 178.277 178.170 0.107 1
1 233 . 15 1 1 A 28 28 LEU N N 28 122.446 121.082 1.364 1
1 234 . 15 1 1 A 28 28 LEU H H 28 6.896 7.866 -0.970 1
1 235 . 15 1 1 A 28 28 LEU CA C 28 57.691 58.068 -0.377 1
1 236 . 15 1 1 A 28 28 LEU HA H 28 3.060 3.102 -0.042 1
1 237 . 15 1 1 A 28 28 LEU CB C 28 40.529 41.359 -0.830 1
1 249 . 15 1 1 A 28 28 LEU C C 28 176.873 177.753 -0.880 1
1 251 . 15 1 1 A 29 29 TYR N N 29 118.891 118.428 0.463 1
1 252 . 15 1 1 A 29 29 TYR H H 29 8.132 7.384 0.748 1
1 253 . 15 1 1 A 29 29 TYR CA C 29 59.994 60.419 -0.425 1
1 254 . 15 1 1 A 29 29 TYR HA H 29 4.244 4.217 0.027 1
1 255 . 15 1 1 A 29 29 TYR CB C 29 36.781 38.417 -1.636 1
1 265 . 15 1 1 A 29 29 TYR C C 29 179.157 178.123 1.034 1
1 267 . 15 1 1 A 30 30 THR N N 30 115.895 115.393 0.502 1
1 268 . 15 1 1 A 30 30 THR H H 30 8.209 8.108 0.101 1
1 269 . 15 1 1 A 30 30 THR CA C 30 66.204 66.801 -0.597 1
1 270 . 15 1 1 A 30 30 THR HA H 30 3.916 4.007 -0.091 1
1 271 . 15 1 1 A 30 30 THR CB C 30 68.718 68.438 0.280 1
1 277 . 15 1 1 A 30 30 THR C C 30 176.781 176.393 0.388 1
1 278 . 15 1 1 A 31 31 HIS N N 31 122.097 120.237 1.860 1
1 279 . 15 1 1 A 31 31 HIS H H 31 7.587 7.991 -0.404 1
1 280 . 15 1 1 A 31 31 HIS CA C 31 59.221 59.694 -0.473 1
1 281 . 15 1 1 A 31 31 HIS HA H 31 4.204 4.317 -0.113 1
1 282 . 15 1 1 A 31 31 HIS CB C 31 28.238 29.830 -1.592 1
1 288 . 15 1 1 A 31 31 HIS C C 31 176.085 177.292 -1.207 1
1 290 . 15 1 1 A 32 32 HIS N N 32 117.054 119.290 -2.236 1
1 291 . 15 1 1 A 32 32 HIS H H 32 8.430 8.170 0.260 1
1 292 . 15 1 1 A 32 32 HIS CA C 32 59.270 59.550 -0.280 1
1 293 . 15 1 1 A 32 32 HIS HA H 32 4.057 3.911 0.146 1
1 294 . 15 1 1 A 32 32 HIS CB C 32 30.135 30.149 -0.014 1
1 300 . 15 1 1 A 32 32 HIS C C 32 176.903 177.365 -0.462 1
1 302 . 15 1 1 A 33 33 MET N N 33 115.224 118.147 -2.923 1
1 303 . 15 1 1 A 33 33 MET H H 33 7.167 8.141 -0.974 1
1 304 . 15 1 1 A 33 33 MET CA C 33 57.787 58.509 -0.722 1
1 305 . 15 1 1 A 33 33 MET HA H 33 4.232 4.015 0.217 1
1 306 . 15 1 1 A 33 33 MET CB C 33 32.279 32.453 -0.174 1
1 314 . 15 1 1 A 33 33 MET C C 33 178.493 178.114 0.379 1
1 317 . 15 1 1 A 34 34 VAL N N 34 117.328 115.984 1.344 1
1 318 . 15 1 1 A 34 34 VAL H H 34 8.026 8.205 -0.179 1
1 319 . 15 1 1 A 34 34 VAL CA C 34 64.228 65.572 -1.344 1
1 320 . 15 1 1 A 34 34 VAL HA H 34 3.882 3.864 0.018 1
1 321 . 15 1 1 A 34 34 VAL CB C 34 31.061 31.105 -0.044 1
1 331 . 15 1 1 A 34 34 VAL C C 34 177.569 177.237 0.332 1
1 332 . 15 1 1 A 35 35 HIS N N 35 117.001 119.483 -2.482 1
1 333 . 15 1 1 A 35 35 HIS H H 35 7.262 7.578 -0.316 1
1 334 . 15 1 1 A 35 35 HIS CA C 35 55.398 58.047 -2.649 1
1 335 . 15 1 1 A 35 35 HIS HA H 35 4.799 4.391 0.408 1
1 336 . 15 1 1 A 35 35 HIS CB C 35 28.605 30.784 -2.179 1
1 342 . 15 1 1 A 35 35 HIS C C 35 175.891 175.142 0.749 1
1 344 . 15 1 1 A 36 36 THR N N 36 110.979 111.549 -0.570 1
1 345 . 15 1 1 A 36 36 THR H H 36 7.665 7.901 -0.236 1
1 346 . 15 1 1 A 36 36 THR CA C 36 62.565 61.433 1.132 1
1 347 . 15 1 1 A 36 36 THR HA H 36 4.329 4.455 -0.126 1
1 348 . 15 1 1 A 36 36 THR CB C 36 69.832 69.535 0.297 1
1 354 . 15 1 1 A 36 36 THR C C 36 175.484 174.868 0.616 1
1 355 . 15 1 1 A 37 37 GLY N N 37 110.523 108.981 1.542 1
1 356 . 15 1 1 A 37 37 GLY H H 37 8.180 7.453 0.727 1
1 357 . 15 1 1 A 37 37 GLY CA C 37 45.329 45.791 -0.462 1
1 358 . 15 1 1 A 37 37 GLY HA3 H 37 4.019 4.103 -0.084 1
1 359 . 15 1 1 A 37 37 GLY C C 37 174.008 172.578 1.430 1
1 360 . 15 1 1 A 37 37 GLY HA2 H 37 3.962 4.102 -0.140 1
1 361 . 15 1 1 A 38 38 GLU N N 38 120.488 122.610 -2.122 1
1 362 . 15 1 1 A 38 38 GLU H H 38 8.069 8.759 -0.690 1
1 363 . 15 1 1 A 38 38 GLU CA C 38 56.503 55.407 1.096 1
1 364 . 15 1 1 A 38 38 GLU HA H 38 4.246 4.747 -0.501 1
1 365 . 15 1 1 A 38 38 GLU CB C 38 30.654 33.082 -2.428 1
1 371 . 15 1 1 A 39 39 LYS N N 39 123.332 128.619 -5.287 1
1 372 . 15 1 1 A 39 39 LYS H H 39 8.335 8.539 -0.204 1
1 373 . 15 1 1 A 39 39 LYS CA C 39 53.992 54.669 -0.677 1
1 374 . 15 1 1 A 39 39 LYS HA H 39 4.632 4.265 0.367 1
1 375 . 15 1 1 A 39 39 LYS CB C 39 32.631 33.027 -0.396 1
1 387 . 15 1 1 A 40 40 PRO CA C 40 63.250 62.414 0.836 1
1 388 . 15 1 1 A 40 40 PRO HA H 40 4.474 4.602 -0.128 1
1 389 . 15 1 1 A 40 40 PRO CB C 40 32.174 32.717 -0.543 1
1 398 . 15 1 1 A 42 42 GLY CA C 42 44.688 45.091 -0.403 1
1 399 . 15 1 1 A 42 42 GLY HA3 H 42 4.109 4.119 -0.010 1
1 400 . 15 1 1 A 42 42 GLY HA2 H 42 4.169 4.119 0.050 1
1 401 . 15 1 1 A 43 43 PRO CA C 43 63.207 62.257 0.950 1
1 402 . 15 1 1 A 43 43 PRO HA H 43 4.465 4.722 -0.257 1
1 403 . 15 1 1 A 43 43 PRO CB C 43 32.213 29.959 2.254 1
1 412 . 15 1 1 A 45 45 SER CA C 45 58.377 58.051 0.326 1
1 413 . 15 1 1 A 45 45 SER HA H 45 4.447 4.853 -0.406 1
1 414 . 15 1 1 A 45 45 SER CB C 45 64.066 63.674 0.392 1
1 415 . 15 1 1 A 45 45 SER C C 45 173.889 174.384 -0.495 1
1 1 . 16 1 1 A 8 8 THR N N 8 112.844 109.315 3.529 1
1 2 . 16 1 1 A 8 8 THR H H 8 8.151 7.748 0.403 1
1 3 . 16 1 1 A 8 8 THR CA C 8 61.903 59.626 2.277 1
1 4 . 16 1 1 A 8 8 THR HA H 8 4.363 4.748 -0.385 1
1 5 . 16 1 1 A 8 8 THR CB C 8 69.727 71.675 -1.948 1
1 11 . 16 1 1 A 8 8 THR C C 8 175.240 174.794 0.446 1
1 12 . 16 1 1 A 9 9 GLY N N 9 111.083 110.690 0.393 1
1 13 . 16 1 1 A 9 9 GLY H H 9 8.440 8.654 -0.214 1
1 14 . 16 1 1 A 9 9 GLY CA C 9 45.249 45.694 -0.445 1
1 15 . 16 1 1 A 9 9 GLY HA3 H 9 3.973 3.889 0.084 1
1 16 . 16 1 1 A 9 9 GLY C C 9 174.005 173.084 0.921 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 3.925 3.888 0.037 1
1 18 . 16 1 1 A 10 10 GLU N N 10 120.520 116.414 4.106 1
1 19 . 16 1 1 A 10 10 GLU H H 10 8.187 8.268 -0.081 1
1 20 . 16 1 1 A 10 10 GLU CA C 10 56.547 54.931 1.616 1
1 21 . 16 1 1 A 10 10 GLU HA H 10 4.204 4.862 -0.658 1
1 22 . 16 1 1 A 10 10 GLU CB C 10 30.461 32.625 -2.164 1
1 28 . 16 1 1 A 11 11 LYS N N 11 122.559 122.501 0.058 1
1 29 . 16 1 1 A 11 11 LYS H H 11 8.393 8.467 -0.074 1
1 30 . 16 1 1 A 11 11 LYS CA C 11 53.799 55.279 -1.480 1
1 31 . 16 1 1 A 11 11 LYS HA H 11 4.462 4.255 0.207 1
1 32 . 16 1 1 A 11 11 LYS CB C 11 32.248 32.007 0.241 1
1 44 . 16 1 1 A 12 12 PRO CA C 12 63.975 64.618 -0.643 1
1 45 . 16 1 1 A 12 12 PRO HA H 12 4.191 4.226 -0.035 1
1 46 . 16 1 1 A 12 12 PRO CB C 12 32.032 31.722 0.310 1
1 51 . 16 1 1 A 12 12 PRO C C 12 176.302 175.831 0.471 1
1 55 . 16 1 1 A 13 13 TYR N N 13 117.435 117.940 -0.505 1
1 56 . 16 1 1 A 13 13 TYR H H 13 7.669 7.217 0.452 1
1 57 . 16 1 1 A 13 13 TYR CA C 13 57.269 56.977 0.292 1
1 58 . 16 1 1 A 13 13 TYR HA H 13 4.691 5.304 -0.613 1
1 59 . 16 1 1 A 13 13 TYR CB C 13 38.999 40.902 -1.903 1
1 69 . 16 1 1 A 13 13 TYR C C 13 174.478 174.252 0.226 1
1 71 . 16 1 1 A 14 14 LYS N N 14 123.791 124.873 -1.082 1
1 72 . 16 1 1 A 14 14 LYS H H 14 8.654 9.025 -0.371 1
1 73 . 16 1 1 A 14 14 LYS CA C 14 54.812 54.246 0.566 1
1 74 . 16 1 1 A 14 14 LYS HA H 14 5.127 5.084 0.043 1
1 75 . 16 1 1 A 14 14 LYS CB C 14 35.391 36.157 -0.766 1
1 82 . 16 1 1 A 14 14 LYS C C 14 175.398 174.829 0.569 1
1 87 . 16 1 1 A 15 15 CYS N N 15 126.096 124.256 1.840 1
1 88 . 16 1 1 A 15 15 CYS H H 15 9.178 9.046 0.132 1
1 89 . 16 1 1 A 15 15 CYS CA C 15 59.645 59.831 -0.186 1
1 90 . 16 1 1 A 15 15 CYS HA H 15 4.650 4.702 -0.052 1
1 91 . 16 1 1 A 15 15 CYS CB C 15 30.010 28.660 1.350 1
1 93 . 16 1 1 A 15 15 CYS C C 15 177.625 176.631 0.994 1
1 95 . 16 1 1 A 16 16 GLU N N 16 115.168 123.988 -8.820 1
1 96 . 16 1 1 A 16 16 GLU H H 16 9.873 8.729 1.144 1
1 97 . 16 1 1 A 16 16 GLU CA C 16 58.804 57.663 1.141 1
1 98 . 16 1 1 A 16 16 GLU HA H 16 4.169 4.374 -0.205 1
1 99 . 16 1 1 A 16 16 GLU CB C 16 29.630 30.751 -1.121 1
1 103 . 16 1 1 A 16 16 GLU C C 16 176.727 178.582 -1.855 1
1 106 . 16 1 1 A 17 17 GLU N N 17 120.669 119.044 1.625 1
1 107 . 16 1 1 A 17 17 GLU H H 17 8.841 7.830 1.011 1
1 108 . 16 1 1 A 17 17 GLU CA C 17 58.374 58.937 -0.563 1
1 109 . 16 1 1 A 17 17 GLU HA H 17 4.246 4.064 0.182 1
1 110 . 16 1 1 A 17 17 GLU CB C 17 29.475 29.410 0.065 1
1 114 . 16 1 1 A 17 17 GLU C C 17 177.380 178.250 -0.870 1
1 117 . 16 1 1 A 18 18 CYS N N 18 114.881 114.554 0.327 1
1 118 . 16 1 1 A 18 18 CYS H H 18 8.097 7.639 0.458 1
1 119 . 16 1 1 A 18 18 CYS CA C 18 58.406 59.309 -0.903 1
1 120 . 16 1 1 A 18 18 CYS HA H 18 5.201 4.759 0.442 1
1 121 . 16 1 1 A 18 18 CYS CB C 18 32.573 30.475 2.098 1
1 123 . 16 1 1 A 18 18 CYS C C 18 176.431 175.808 0.623 1
1 125 . 16 1 1 A 19 19 GLY N N 19 113.739 109.061 4.678 1
1 126 . 16 1 1 A 19 19 GLY H H 19 8.213 8.034 0.179 1
1 127 . 16 1 1 A 19 19 GLY CA C 19 46.251 46.018 0.233 1
1 128 . 16 1 1 A 19 19 GLY HA3 H 19 4.264 4.018 0.246 1
1 129 . 16 1 1 A 19 19 GLY C C 19 173.590 175.026 -1.436 1
1 130 . 16 1 1 A 19 19 GLY HA2 H 19 3.805 3.994 -0.189 1
1 131 . 16 1 1 A 20 20 LYS N N 20 123.026 117.786 5.240 1
1 132 . 16 1 1 A 20 20 LYS H H 20 7.945 8.369 -0.424 1
1 133 . 16 1 1 A 20 20 LYS CA C 20 58.313 56.492 1.821 1
1 134 . 16 1 1 A 20 20 LYS HA H 20 3.959 4.313 -0.354 1
1 135 . 16 1 1 A 20 20 LYS CB C 20 33.856 33.374 0.482 1
1 142 . 16 1 1 A 20 20 LYS C C 20 174.525 177.008 -2.483 1
1 147 . 16 1 1 A 21 21 GLY N N 21 108.257 105.476 2.781 1
1 148 . 16 1 1 A 21 21 GLY H H 21 7.930 7.644 0.286 1
1 149 . 16 1 1 A 21 21 GLY CA C 21 44.040 44.378 -0.338 1
1 150 . 16 1 1 A 21 21 GLY HA3 H 21 4.917 3.912 1.005 1
1 151 . 16 1 1 A 21 21 GLY C C 21 172.346 172.458 -0.112 1
1 152 . 16 1 1 A 21 21 GLY HA2 H 21 3.302 3.801 -0.499 1
1 153 . 16 1 1 A 22 22 PHE N N 22 117.898 120.881 -2.983 1
1 154 . 16 1 1 A 22 22 PHE H H 22 8.698 9.131 -0.433 1
1 155 . 16 1 1 A 22 22 PHE CA C 22 57.478 56.433 1.045 1
1 156 . 16 1 1 A 22 22 PHE HA H 22 4.736 5.204 -0.468 1
1 157 . 16 1 1 A 22 22 PHE CB C 22 43.762 43.939 -0.177 1
1 169 . 16 1 1 A 22 22 PHE C C 22 175.511 175.489 0.022 1
1 171 . 16 1 1 A 23 23 ILE N N 23 117.272 120.049 -2.777 1
1 172 . 16 1 1 A 23 23 ILE H H 23 9.358 8.795 0.563 1
1 173 . 16 1 1 A 23 23 ILE CA C 23 62.295 62.612 -0.317 1
1 174 . 16 1 1 A 23 23 ILE HA H 23 4.392 4.269 0.123 1
1 175 . 16 1 1 A 23 23 ILE CB C 23 39.428 38.617 0.811 1
1 187 . 16 1 1 A 23 23 ILE C C 23 175.245 176.340 -1.095 1
1 189 . 16 1 1 A 24 24 CYS N N 24 112.667 119.462 -6.795 1
1 190 . 16 1 1 A 24 24 CYS H H 24 7.593 7.921 -0.328 1
1 191 . 16 1 1 A 24 24 CYS CA C 24 55.415 57.449 -2.034 1
1 192 . 16 1 1 A 24 24 CYS HA H 24 4.902 4.655 0.247 1
1 193 . 16 1 1 A 24 24 CYS CB C 24 30.722 29.745 0.977 1
1 195 . 16 1 1 A 24 24 CYS C C 24 173.592 175.648 -2.056 1
1 197 . 16 1 1 A 25 25 ARG N N 25 124.960 127.510 -2.550 1
1 198 . 16 1 1 A 25 25 ARG H H 25 8.413 8.451 -0.038 1
1 199 . 16 1 1 A 25 25 ARG CA C 25 59.380 59.555 -0.175 1
1 200 . 16 1 1 A 25 25 ARG HA H 25 3.000 3.371 -0.371 1
1 201 . 16 1 1 A 25 25 ARG CB C 25 29.593 29.377 0.216 1
1 207 . 16 1 1 A 25 25 ARG C C 25 177.723 178.182 -0.459 1
1 211 . 16 1 1 A 26 26 ARG N N 26 119.340 119.276 0.064 1
1 212 . 16 1 1 A 26 26 ARG H H 26 8.556 7.764 0.792 1
1 213 . 16 1 1 A 26 26 ARG CA C 26 59.426 59.206 0.220 1
1 214 . 16 1 1 A 26 26 ARG HA H 26 3.916 4.118 -0.202 1
1 215 . 16 1 1 A 26 26 ARG CB C 26 29.598 29.814 -0.216 1
1 221 . 16 1 1 A 26 26 ARG C C 26 178.094 178.121 -0.027 1
1 225 . 16 1 1 A 27 27 ASP N N 27 119.260 119.775 -0.515 1
1 226 . 16 1 1 A 27 27 ASP H H 27 7.230 7.959 -0.729 1
1 227 . 16 1 1 A 27 27 ASP CA C 27 56.644 57.327 -0.683 1
1 228 . 16 1 1 A 27 27 ASP HA H 27 4.313 4.304 0.009 1
1 229 . 16 1 1 A 27 27 ASP CB C 27 40.265 41.028 -0.763 1
1 231 . 16 1 1 A 27 27 ASP C C 27 178.277 177.782 0.495 1
1 233 . 16 1 1 A 28 28 LEU N N 28 122.446 120.171 2.275 1
1 234 . 16 1 1 A 28 28 LEU H H 28 6.896 7.348 -0.452 1
1 235 . 16 1 1 A 28 28 LEU CA C 28 57.691 57.700 -0.009 1
1 236 . 16 1 1 A 28 28 LEU HA H 28 3.060 2.666 0.394 1
1 237 . 16 1 1 A 28 28 LEU CB C 28 40.529 41.436 -0.907 1
1 249 . 16 1 1 A 28 28 LEU C C 28 176.873 177.819 -0.946 1
1 251 . 16 1 1 A 29 29 TYR N N 29 118.891 118.377 0.514 1
1 252 . 16 1 1 A 29 29 TYR H H 29 8.132 7.564 0.568 1
1 253 . 16 1 1 A 29 29 TYR CA C 29 59.994 60.408 -0.414 1
1 254 . 16 1 1 A 29 29 TYR HA H 29 4.244 4.211 0.033 1
1 255 . 16 1 1 A 29 29 TYR CB C 29 36.781 38.367 -1.586 1
1 265 . 16 1 1 A 29 29 TYR C C 29 179.157 178.267 0.890 1
1 267 . 16 1 1 A 30 30 THR N N 30 115.895 115.404 0.491 1
1 268 . 16 1 1 A 30 30 THR H H 30 8.209 7.849 0.360 1
1 269 . 16 1 1 A 30 30 THR CA C 30 66.204 66.968 -0.764 1
1 270 . 16 1 1 A 30 30 THR HA H 30 3.916 3.853 0.063 1
1 271 . 16 1 1 A 30 30 THR CB C 30 68.718 68.554 0.164 1
1 277 . 16 1 1 A 30 30 THR C C 30 176.781 176.349 0.432 1
1 278 . 16 1 1 A 31 31 HIS N N 31 122.097 119.626 2.471 1
1 279 . 16 1 1 A 31 31 HIS H H 31 7.587 7.914 -0.327 1
1 280 . 16 1 1 A 31 31 HIS CA C 31 59.221 59.714 -0.493 1
1 281 . 16 1 1 A 31 31 HIS HA H 31 4.204 4.135 0.069 1
1 282 . 16 1 1 A 31 31 HIS CB C 31 28.238 29.757 -1.519 1
1 288 . 16 1 1 A 31 31 HIS C C 31 176.085 177.048 -0.963 1
1 290 . 16 1 1 A 32 32 HIS N N 32 117.054 119.237 -2.183 1
1 291 . 16 1 1 A 32 32 HIS H H 32 8.430 7.927 0.503 1
1 292 . 16 1 1 A 32 32 HIS CA C 32 59.270 59.838 -0.568 1
1 293 . 16 1 1 A 32 32 HIS HA H 32 4.057 3.895 0.162 1
1 294 . 16 1 1 A 32 32 HIS CB C 32 30.135 30.108 0.027 1
1 300 . 16 1 1 A 32 32 HIS C C 32 176.903 176.554 0.349 1
1 302 . 16 1 1 A 33 33 MET N N 33 115.224 117.372 -2.148 1
1 303 . 16 1 1 A 33 33 MET H H 33 7.167 8.329 -1.162 1
1 304 . 16 1 1 A 33 33 MET CA C 33 57.787 58.708 -0.921 1
1 305 . 16 1 1 A 33 33 MET HA H 33 4.232 3.853 0.379 1
1 306 . 16 1 1 A 33 33 MET CB C 33 32.279 32.059 0.220 1
1 314 . 16 1 1 A 33 33 MET C C 33 178.493 178.287 0.206 1
1 317 . 16 1 1 A 34 34 VAL N N 34 117.328 116.877 0.451 1
1 318 . 16 1 1 A 34 34 VAL H H 34 8.026 8.103 -0.077 1
1 319 . 16 1 1 A 34 34 VAL CA C 34 64.228 65.687 -1.459 1
1 320 . 16 1 1 A 34 34 VAL HA H 34 3.882 3.700 0.182 1
1 321 . 16 1 1 A 34 34 VAL CB C 34 31.061 31.252 -0.191 1
1 331 . 16 1 1 A 34 34 VAL C C 34 177.569 178.119 -0.550 1
1 332 . 16 1 1 A 35 35 HIS N N 35 117.001 120.505 -3.504 1
1 333 . 16 1 1 A 35 35 HIS H H 35 7.262 7.881 -0.619 1
1 334 . 16 1 1 A 35 35 HIS CA C 35 55.398 59.715 -4.317 1
1 335 . 16 1 1 A 35 35 HIS HA H 35 4.799 4.435 0.364 1
1 336 . 16 1 1 A 35 35 HIS CB C 35 28.605 30.044 -1.439 1
1 342 . 16 1 1 A 35 35 HIS C C 35 175.891 178.406 -2.515 1
1 344 . 16 1 1 A 36 36 THR N N 36 110.979 112.759 -1.780 1
1 345 . 16 1 1 A 36 36 THR H H 36 7.665 7.836 -0.171 1
1 346 . 16 1 1 A 36 36 THR CA C 36 62.565 64.525 -1.960 1
1 347 . 16 1 1 A 36 36 THR HA H 36 4.329 3.953 0.376 1
1 348 . 16 1 1 A 36 36 THR CB C 36 69.832 68.833 0.999 1
1 354 . 16 1 1 A 36 36 THR C C 36 175.484 175.516 -0.032 1
1 355 . 16 1 1 A 37 37 GLY N N 37 110.523 108.266 2.257 1
1 356 . 16 1 1 A 37 37 GLY H H 37 8.180 7.647 0.533 1
1 357 . 16 1 1 A 37 37 GLY CA C 37 45.329 46.061 -0.732 1
1 358 . 16 1 1 A 37 37 GLY HA3 H 37 4.019 4.081 -0.062 1
1 359 . 16 1 1 A 37 37 GLY C C 37 174.008 172.920 1.088 1
1 360 . 16 1 1 A 37 37 GLY HA2 H 37 3.962 4.073 -0.111 1
1 361 . 16 1 1 A 38 38 GLU N N 38 120.488 120.801 -0.313 1
1 362 . 16 1 1 A 38 38 GLU H H 38 8.069 8.728 -0.659 1
1 363 . 16 1 1 A 38 38 GLU CA C 38 56.503 54.900 1.603 1
1 364 . 16 1 1 A 38 38 GLU HA H 38 4.246 4.956 -0.710 1
1 365 . 16 1 1 A 38 38 GLU CB C 38 30.654 33.378 -2.724 1
1 371 . 16 1 1 A 39 39 LYS N N 39 123.332 120.421 2.911 1
1 372 . 16 1 1 A 39 39 LYS H H 39 8.335 8.692 -0.357 1
1 373 . 16 1 1 A 39 39 LYS CA C 39 53.992 53.457 0.535 1
1 374 . 16 1 1 A 39 39 LYS HA H 39 4.632 5.035 -0.403 1
1 375 . 16 1 1 A 39 39 LYS CB C 39 32.631 32.997 -0.366 1
1 387 . 16 1 1 A 40 40 PRO CA C 40 63.250 63.951 -0.701 1
1 388 . 16 1 1 A 40 40 PRO HA H 40 4.474 4.476 -0.002 1
1 389 . 16 1 1 A 40 40 PRO CB C 40 32.174 31.723 0.451 1
1 398 . 16 1 1 A 42 42 GLY CA C 42 44.688 44.459 0.229 1
1 399 . 16 1 1 A 42 42 GLY HA3 H 42 4.109 4.175 -0.066 1
1 400 . 16 1 1 A 42 42 GLY HA2 H 42 4.169 4.175 -0.006 1
1 401 . 16 1 1 A 43 43 PRO CA C 43 63.207 62.580 0.627 1
1 402 . 16 1 1 A 43 43 PRO HA H 43 4.465 4.797 -0.332 1
1 403 . 16 1 1 A 43 43 PRO CB C 43 32.213 30.264 1.949 1
1 412 . 16 1 1 A 45 45 SER CA C 45 58.377 59.070 -0.693 1
1 413 . 16 1 1 A 45 45 SER HA H 45 4.447 4.150 0.297 1
1 414 . 16 1 1 A 45 45 SER CB C 45 64.066 60.982 3.084 1
1 415 . 16 1 1 A 45 45 SER C C 45 173.889 173.655 0.234 1
1 1 . 17 1 1 A 8 8 THR N N 8 112.844 116.266 -3.422 1
1 2 . 17 1 1 A 8 8 THR H H 8 8.151 8.324 -0.173 1
1 3 . 17 1 1 A 8 8 THR CA C 8 61.903 61.153 0.750 1
1 4 . 17 1 1 A 8 8 THR HA H 8 4.363 4.845 -0.482 1
1 5 . 17 1 1 A 8 8 THR CB C 8 69.727 68.959 0.768 1
1 11 . 17 1 1 A 8 8 THR C C 8 175.240 174.627 0.613 1
1 12 . 17 1 1 A 9 9 GLY N N 9 111.083 115.723 -4.640 1
1 13 . 17 1 1 A 9 9 GLY H H 9 8.440 8.270 0.170 1
1 14 . 17 1 1 A 9 9 GLY CA C 9 45.249 43.726 1.523 1
1 15 . 17 1 1 A 9 9 GLY HA3 H 9 3.973 4.054 -0.081 1
1 16 . 17 1 1 A 9 9 GLY C C 9 174.005 172.511 1.494 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 3.925 4.053 -0.128 1
1 18 . 17 1 1 A 10 10 GLU N N 10 120.520 119.495 1.025 1
1 19 . 17 1 1 A 10 10 GLU H H 10 8.187 8.377 -0.190 1
1 20 . 17 1 1 A 10 10 GLU CA C 10 56.547 55.040 1.507 1
1 21 . 17 1 1 A 10 10 GLU HA H 10 4.204 4.992 -0.788 1
1 22 . 17 1 1 A 10 10 GLU CB C 10 30.461 32.893 -2.432 1
1 28 . 17 1 1 A 11 11 LYS N N 11 122.559 124.901 -2.342 1
1 29 . 17 1 1 A 11 11 LYS H H 11 8.393 8.922 -0.529 1
1 30 . 17 1 1 A 11 11 LYS CA C 11 53.799 53.232 0.567 1
1 31 . 17 1 1 A 11 11 LYS HA H 11 4.462 4.712 -0.250 1
1 32 . 17 1 1 A 11 11 LYS CB C 11 32.248 32.688 -0.440 1
1 44 . 17 1 1 A 12 12 PRO CA C 12 63.975 64.978 -1.003 1
1 45 . 17 1 1 A 12 12 PRO HA H 12 4.191 4.320 -0.129 1
1 46 . 17 1 1 A 12 12 PRO CB C 12 32.032 31.660 0.372 1
1 51 . 17 1 1 A 12 12 PRO C C 12 176.302 175.957 0.345 1
1 55 . 17 1 1 A 13 13 TYR N N 13 117.435 118.225 -0.790 1
1 56 . 17 1 1 A 13 13 TYR H H 13 7.669 7.438 0.231 1
1 57 . 17 1 1 A 13 13 TYR CA C 13 57.269 57.513 -0.244 1
1 58 . 17 1 1 A 13 13 TYR HA H 13 4.691 5.044 -0.353 1
1 59 . 17 1 1 A 13 13 TYR CB C 13 38.999 40.036 -1.037 1
1 69 . 17 1 1 A 13 13 TYR C C 13 174.478 174.700 -0.222 1
1 71 . 17 1 1 A 14 14 LYS N N 14 123.791 123.461 0.330 1
1 72 . 17 1 1 A 14 14 LYS H H 14 8.654 9.105 -0.451 1
1 73 . 17 1 1 A 14 14 LYS CA C 14 54.812 54.471 0.341 1
1 74 . 17 1 1 A 14 14 LYS HA H 14 5.127 5.632 -0.505 1
1 75 . 17 1 1 A 14 14 LYS CB C 14 35.391 36.246 -0.855 1
1 82 . 17 1 1 A 14 14 LYS C C 14 175.398 174.761 0.637 1
1 87 . 17 1 1 A 15 15 CYS N N 15 126.096 124.158 1.938 1
1 88 . 17 1 1 A 15 15 CYS H H 15 9.178 9.119 0.059 1
1 89 . 17 1 1 A 15 15 CYS CA C 15 59.645 59.182 0.463 1
1 90 . 17 1 1 A 15 15 CYS HA H 15 4.650 4.625 0.025 1
1 91 . 17 1 1 A 15 15 CYS CB C 15 30.010 29.083 0.927 1
1 93 . 17 1 1 A 15 15 CYS C C 15 177.625 175.933 1.692 1
1 95 . 17 1 1 A 16 16 GLU N N 16 115.168 127.323 -12.155 1
1 96 . 17 1 1 A 16 16 GLU H H 16 9.873 9.153 0.720 1
1 97 . 17 1 1 A 16 16 GLU CA C 16 58.804 56.660 2.144 1
1 98 . 17 1 1 A 16 16 GLU HA H 16 4.169 4.525 -0.356 1
1 99 . 17 1 1 A 16 16 GLU CB C 16 29.630 29.774 -0.144 1
1 103 . 17 1 1 A 16 16 GLU C C 16 176.727 177.815 -1.088 1
1 106 . 17 1 1 A 17 17 GLU N N 17 120.669 119.745 0.924 1
1 107 . 17 1 1 A 17 17 GLU H H 17 8.841 8.053 0.788 1
1 108 . 17 1 1 A 17 17 GLU CA C 17 58.374 57.355 1.019 1
1 109 . 17 1 1 A 17 17 GLU HA H 17 4.246 4.317 -0.071 1
1 110 . 17 1 1 A 17 17 GLU CB C 17 29.475 30.427 -0.952 1
1 114 . 17 1 1 A 17 17 GLU C C 17 177.380 177.908 -0.528 1
1 117 . 17 1 1 A 18 18 CYS N N 18 114.881 115.065 -0.184 1
1 118 . 17 1 1 A 18 18 CYS H H 18 8.097 8.106 -0.009 1
1 119 . 17 1 1 A 18 18 CYS CA C 18 58.406 59.249 -0.843 1
1 120 . 17 1 1 A 18 18 CYS HA H 18 5.201 4.691 0.510 1
1 121 . 17 1 1 A 18 18 CYS CB C 18 32.573 30.411 2.162 1
1 123 . 17 1 1 A 18 18 CYS C C 18 176.431 175.779 0.652 1
1 125 . 17 1 1 A 19 19 GLY N N 19 113.739 110.317 3.422 1
1 126 . 17 1 1 A 19 19 GLY H H 19 8.213 8.509 -0.296 1
1 127 . 17 1 1 A 19 19 GLY CA C 19 46.251 46.189 0.062 1
1 128 . 17 1 1 A 19 19 GLY HA3 H 19 4.264 4.031 0.233 1
1 129 . 17 1 1 A 19 19 GLY C C 19 173.590 174.350 -0.760 1
1 130 . 17 1 1 A 19 19 GLY HA2 H 19 3.805 4.008 -0.203 1
1 131 . 17 1 1 A 20 20 LYS N N 20 123.026 120.325 2.701 1
1 132 . 17 1 1 A 20 20 LYS H H 20 7.945 7.760 0.185 1
1 133 . 17 1 1 A 20 20 LYS CA C 20 58.313 54.469 3.844 1
1 134 . 17 1 1 A 20 20 LYS HA H 20 3.959 4.644 -0.685 1
1 135 . 17 1 1 A 20 20 LYS CB C 20 33.856 34.931 -1.075 1
1 142 . 17 1 1 A 20 20 LYS C C 20 174.525 175.639 -1.114 1
1 147 . 17 1 1 A 21 21 GLY N N 21 108.257 112.646 -4.389 1
1 148 . 17 1 1 A 21 21 GLY H H 21 7.930 8.658 -0.728 1
1 149 . 17 1 1 A 21 21 GLY CA C 21 44.040 44.772 -0.732 1
1 150 . 17 1 1 A 21 21 GLY HA3 H 21 4.917 4.088 0.829 1
1 151 . 17 1 1 A 21 21 GLY C C 21 172.346 172.644 -0.298 1
1 152 . 17 1 1 A 21 21 GLY HA2 H 21 3.302 3.993 -0.691 1
1 153 . 17 1 1 A 22 22 PHE N N 22 117.898 121.372 -3.474 1
1 154 . 17 1 1 A 22 22 PHE H H 22 8.698 9.065 -0.367 1
1 155 . 17 1 1 A 22 22 PHE CA C 22 57.478 56.526 0.952 1
1 156 . 17 1 1 A 22 22 PHE HA H 22 4.736 5.197 -0.461 1
1 157 . 17 1 1 A 22 22 PHE CB C 22 43.762 44.183 -0.421 1
1 169 . 17 1 1 A 22 22 PHE C C 22 175.511 175.507 0.004 1
1 171 . 17 1 1 A 23 23 ILE N N 23 117.272 119.952 -2.680 1
1 172 . 17 1 1 A 23 23 ILE H H 23 9.358 8.803 0.555 1
1 173 . 17 1 1 A 23 23 ILE CA C 23 62.295 62.481 -0.186 1
1 174 . 17 1 1 A 23 23 ILE HA H 23 4.392 4.340 0.052 1
1 175 . 17 1 1 A 23 23 ILE CB C 23 39.428 38.551 0.877 1
1 187 . 17 1 1 A 23 23 ILE C C 23 175.245 176.487 -1.242 1
1 189 . 17 1 1 A 24 24 CYS N N 24 112.667 120.276 -7.609 1
1 190 . 17 1 1 A 24 24 CYS H H 24 7.593 7.835 -0.242 1
1 191 . 17 1 1 A 24 24 CYS CA C 24 55.415 58.933 -3.518 1
1 192 . 17 1 1 A 24 24 CYS HA H 24 4.902 4.612 0.290 1
1 193 . 17 1 1 A 24 24 CYS CB C 24 30.722 28.441 2.281 1
1 195 . 17 1 1 A 24 24 CYS C C 24 173.592 174.944 -1.352 1
1 197 . 17 1 1 A 25 25 ARG N N 25 124.960 124.943 0.017 1
1 198 . 17 1 1 A 25 25 ARG H H 25 8.413 8.574 -0.161 1
1 199 . 17 1 1 A 25 25 ARG CA C 25 59.380 59.000 0.380 1
1 200 . 17 1 1 A 25 25 ARG HA H 25 3.000 3.040 -0.040 1
1 201 . 17 1 1 A 25 25 ARG CB C 25 29.593 29.652 -0.059 1
1 207 . 17 1 1 A 25 25 ARG C C 25 177.723 177.774 -0.051 1
1 211 . 17 1 1 A 26 26 ARG N N 26 119.340 118.440 0.900 1
1 212 . 17 1 1 A 26 26 ARG H H 26 8.556 7.752 0.804 1
1 213 . 17 1 1 A 26 26 ARG CA C 26 59.426 59.068 0.358 1
1 214 . 17 1 1 A 26 26 ARG HA H 26 3.916 3.963 -0.047 1
1 215 . 17 1 1 A 26 26 ARG CB C 26 29.598 30.197 -0.599 1
1 221 . 17 1 1 A 26 26 ARG C C 26 178.094 178.495 -0.401 1
1 225 . 17 1 1 A 27 27 ASP N N 27 119.260 119.727 -0.467 1
1 226 . 17 1 1 A 27 27 ASP H H 27 7.230 8.051 -0.821 1
1 227 . 17 1 1 A 27 27 ASP CA C 27 56.644 57.281 -0.637 1
1 228 . 17 1 1 A 27 27 ASP HA H 27 4.313 4.271 0.042 1
1 229 . 17 1 1 A 27 27 ASP CB C 27 40.265 40.274 -0.009 1
1 231 . 17 1 1 A 27 27 ASP C C 27 178.277 178.513 -0.236 1
1 233 . 17 1 1 A 28 28 LEU N N 28 122.446 121.388 1.058 1
1 234 . 17 1 1 A 28 28 LEU H H 28 6.896 7.590 -0.694 1
1 235 . 17 1 1 A 28 28 LEU CA C 28 57.691 57.700 -0.009 1
1 236 . 17 1 1 A 28 28 LEU HA H 28 3.060 2.985 0.075 1
1 237 . 17 1 1 A 28 28 LEU CB C 28 40.529 41.429 -0.900 1
1 249 . 17 1 1 A 28 28 LEU C C 28 176.873 177.678 -0.805 1
1 251 . 17 1 1 A 29 29 TYR N N 29 118.891 117.894 0.997 1
1 252 . 17 1 1 A 29 29 TYR H H 29 8.132 8.117 0.015 1
1 253 . 17 1 1 A 29 29 TYR CA C 29 59.994 60.342 -0.348 1
1 254 . 17 1 1 A 29 29 TYR HA H 29 4.244 4.203 0.041 1
1 255 . 17 1 1 A 29 29 TYR CB C 29 36.781 38.606 -1.825 1
1 265 . 17 1 1 A 29 29 TYR C C 29 179.157 178.307 0.850 1
1 267 . 17 1 1 A 30 30 THR N N 30 115.895 115.635 0.260 1
1 268 . 17 1 1 A 30 30 THR H H 30 8.209 8.112 0.097 1
1 269 . 17 1 1 A 30 30 THR CA C 30 66.204 66.891 -0.687 1
1 270 . 17 1 1 A 30 30 THR HA H 30 3.916 3.918 -0.002 1
1 271 . 17 1 1 A 30 30 THR CB C 30 68.718 68.836 -0.118 1
1 277 . 17 1 1 A 30 30 THR C C 30 176.781 176.542 0.239 1
1 278 . 17 1 1 A 31 31 HIS N N 31 122.097 122.072 0.025 1
1 279 . 17 1 1 A 31 31 HIS H H 31 7.587 8.081 -0.494 1
1 280 . 17 1 1 A 31 31 HIS CA C 31 59.221 59.487 -0.266 1
1 281 . 17 1 1 A 31 31 HIS HA H 31 4.204 4.141 0.063 1
1 282 . 17 1 1 A 31 31 HIS CB C 31 28.238 29.303 -1.065 1
1 288 . 17 1 1 A 31 31 HIS C C 31 176.085 176.838 -0.753 1
1 290 . 17 1 1 A 32 32 HIS N N 32 117.054 119.135 -2.081 1
1 291 . 17 1 1 A 32 32 HIS H H 32 8.430 7.946 0.484 1
1 292 . 17 1 1 A 32 32 HIS CA C 32 59.270 59.682 -0.412 1
1 293 . 17 1 1 A 32 32 HIS HA H 32 4.057 3.938 0.119 1
1 294 . 17 1 1 A 32 32 HIS CB C 32 30.135 29.857 0.278 1
1 300 . 17 1 1 A 32 32 HIS C C 32 176.903 177.086 -0.183 1
1 302 . 17 1 1 A 33 33 MET N N 33 115.224 117.844 -2.620 1
1 303 . 17 1 1 A 33 33 MET H H 33 7.167 7.814 -0.647 1
1 304 . 17 1 1 A 33 33 MET CA C 33 57.787 58.234 -0.447 1
1 305 . 17 1 1 A 33 33 MET HA H 33 4.232 4.173 0.059 1
1 306 . 17 1 1 A 33 33 MET CB C 33 32.279 31.985 0.294 1
1 314 . 17 1 1 A 33 33 MET C C 33 178.493 177.965 0.528 1
1 317 . 17 1 1 A 34 34 VAL N N 34 117.328 115.682 1.646 1
1 318 . 17 1 1 A 34 34 VAL H H 34 8.026 7.542 0.484 1
1 319 . 17 1 1 A 34 34 VAL CA C 34 64.228 65.537 -1.309 1
1 320 . 17 1 1 A 34 34 VAL HA H 34 3.882 3.641 0.241 1
1 321 . 17 1 1 A 34 34 VAL CB C 34 31.061 31.126 -0.065 1
1 331 . 17 1 1 A 34 34 VAL C C 34 177.569 176.482 1.087 1
1 332 . 17 1 1 A 35 35 HIS N N 35 117.001 119.154 -2.153 1
1 333 . 17 1 1 A 35 35 HIS H H 35 7.262 7.668 -0.406 1
1 334 . 17 1 1 A 35 35 HIS CA C 35 55.398 55.379 0.019 1
1 335 . 17 1 1 A 35 35 HIS HA H 35 4.799 4.460 0.339 1
1 336 . 17 1 1 A 35 35 HIS CB C 35 28.605 28.880 -0.275 1
1 342 . 17 1 1 A 35 35 HIS C C 35 175.891 175.405 0.486 1
1 344 . 17 1 1 A 36 36 THR N N 36 110.979 109.640 1.339 1
1 345 . 17 1 1 A 36 36 THR H H 36 7.665 7.189 0.476 1
1 346 . 17 1 1 A 36 36 THR CA C 36 62.565 61.963 0.602 1
1 347 . 17 1 1 A 36 36 THR HA H 36 4.329 4.421 -0.092 1
1 348 . 17 1 1 A 36 36 THR CB C 36 69.832 70.583 -0.751 1
1 354 . 17 1 1 A 36 36 THR C C 36 175.484 174.857 0.627 1
1 355 . 17 1 1 A 37 37 GLY N N 37 110.523 111.285 -0.762 1
1 356 . 17 1 1 A 37 37 GLY H H 37 8.180 7.383 0.797 1
1 357 . 17 1 1 A 37 37 GLY CA C 37 45.329 44.048 1.281 1
1 358 . 17 1 1 A 37 37 GLY HA3 H 37 4.019 3.982 0.037 1
1 359 . 17 1 1 A 37 37 GLY C C 37 174.008 173.416 0.592 1
1 360 . 17 1 1 A 37 37 GLY HA2 H 37 3.962 3.971 -0.009 1
1 361 . 17 1 1 A 38 38 GLU N N 38 120.488 119.629 0.859 1
1 362 . 17 1 1 A 38 38 GLU H H 38 8.069 8.506 -0.437 1
1 363 . 17 1 1 A 38 38 GLU CA C 38 56.503 56.635 -0.132 1
1 364 . 17 1 1 A 38 38 GLU HA H 38 4.246 4.283 -0.037 1
1 365 . 17 1 1 A 38 38 GLU CB C 38 30.654 30.701 -0.047 1
1 371 . 17 1 1 A 39 39 LYS N N 39 123.332 117.852 5.480 1
1 372 . 17 1 1 A 39 39 LYS H H 39 8.335 8.901 -0.566 1
1 373 . 17 1 1 A 39 39 LYS CA C 39 53.992 53.311 0.681 1
1 374 . 17 1 1 A 39 39 LYS HA H 39 4.632 5.010 -0.378 1
1 375 . 17 1 1 A 39 39 LYS CB C 39 32.631 35.378 -2.747 1
1 387 . 17 1 1 A 40 40 PRO CA C 40 63.250 62.492 0.758 1
1 388 . 17 1 1 A 40 40 PRO HA H 40 4.474 4.512 -0.038 1
1 389 . 17 1 1 A 40 40 PRO CB C 40 32.174 32.477 -0.303 1
1 398 . 17 1 1 A 42 42 GLY CA C 42 44.688 47.007 -2.319 1
1 399 . 17 1 1 A 42 42 GLY HA3 H 42 4.109 3.776 0.333 1
1 400 . 17 1 1 A 42 42 GLY HA2 H 42 4.169 3.776 0.393 1
1 401 . 17 1 1 A 43 43 PRO CA C 43 63.207 62.890 0.317 1
1 402 . 17 1 1 A 43 43 PRO HA H 43 4.465 4.453 0.012 1
1 403 . 17 1 1 A 43 43 PRO CB C 43 32.213 32.301 -0.088 1
1 412 . 17 1 1 A 45 45 SER CA C 45 58.377 59.070 -0.693 1
1 413 . 17 1 1 A 45 45 SER HA H 45 4.447 4.305 0.142 1
1 414 . 17 1 1 A 45 45 SER CB C 45 64.066 63.416 0.650 1
1 415 . 17 1 1 A 45 45 SER C C 45 173.889 173.967 -0.078 1
1 1 . 18 1 1 A 8 8 THR N N 8 112.844 112.424 0.420 1
1 2 . 18 1 1 A 8 8 THR H H 8 8.151 8.463 -0.312 1
1 3 . 18 1 1 A 8 8 THR CA C 8 61.903 61.118 0.785 1
1 4 . 18 1 1 A 8 8 THR HA H 8 4.363 4.771 -0.408 1
1 5 . 18 1 1 A 8 8 THR CB C 8 69.727 70.180 -0.453 1
1 11 . 18 1 1 A 8 8 THR C C 8 175.240 174.234 1.006 1
1 12 . 18 1 1 A 9 9 GLY N N 9 111.083 110.268 0.815 1
1 13 . 18 1 1 A 9 9 GLY H H 9 8.440 8.311 0.129 1
1 14 . 18 1 1 A 9 9 GLY CA C 9 45.249 44.217 1.032 1
1 15 . 18 1 1 A 9 9 GLY HA3 H 9 3.973 4.122 -0.149 1
1 16 . 18 1 1 A 9 9 GLY C C 9 174.005 173.516 0.489 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 3.925 4.122 -0.197 1
1 18 . 18 1 1 A 10 10 GLU N N 10 120.520 119.862 0.658 1
1 19 . 18 1 1 A 10 10 GLU H H 10 8.187 8.407 -0.220 1
1 20 . 18 1 1 A 10 10 GLU CA C 10 56.547 56.028 0.519 1
1 21 . 18 1 1 A 10 10 GLU HA H 10 4.204 4.328 -0.124 1
1 22 . 18 1 1 A 10 10 GLU CB C 10 30.461 31.102 -0.641 1
1 28 . 18 1 1 A 11 11 LYS N N 11 122.559 120.894 1.665 1
1 29 . 18 1 1 A 11 11 LYS H H 11 8.393 8.398 -0.005 1
1 30 . 18 1 1 A 11 11 LYS CA C 11 53.799 52.768 1.031 1
1 31 . 18 1 1 A 11 11 LYS HA H 11 4.462 4.727 -0.265 1
1 32 . 18 1 1 A 11 11 LYS CB C 11 32.248 34.011 -1.763 1
1 44 . 18 1 1 A 12 12 PRO CA C 12 63.975 64.617 -0.642 1
1 45 . 18 1 1 A 12 12 PRO HA H 12 4.191 4.242 -0.051 1
1 46 . 18 1 1 A 12 12 PRO CB C 12 32.032 31.794 0.238 1
1 51 . 18 1 1 A 12 12 PRO C C 12 176.302 175.833 0.469 1
1 55 . 18 1 1 A 13 13 TYR N N 13 117.435 117.972 -0.537 1
1 56 . 18 1 1 A 13 13 TYR H H 13 7.669 7.129 0.540 1
1 57 . 18 1 1 A 13 13 TYR CA C 13 57.269 57.018 0.251 1
1 58 . 18 1 1 A 13 13 TYR HA H 13 4.691 5.301 -0.610 1
1 59 . 18 1 1 A 13 13 TYR CB C 13 38.999 41.261 -2.262 1
1 69 . 18 1 1 A 13 13 TYR C C 13 174.478 174.068 0.410 1
1 71 . 18 1 1 A 14 14 LYS N N 14 123.791 124.478 -0.687 1
1 72 . 18 1 1 A 14 14 LYS H H 14 8.654 9.179 -0.525 1
1 73 . 18 1 1 A 14 14 LYS CA C 14 54.812 54.416 0.396 1
1 74 . 18 1 1 A 14 14 LYS HA H 14 5.127 5.136 -0.009 1
1 75 . 18 1 1 A 14 14 LYS CB C 14 35.391 36.221 -0.830 1
1 82 . 18 1 1 A 14 14 LYS C C 14 175.398 175.451 -0.053 1
1 87 . 18 1 1 A 15 15 CYS N N 15 126.096 124.898 1.198 1
1 88 . 18 1 1 A 15 15 CYS H H 15 9.178 9.198 -0.020 1
1 89 . 18 1 1 A 15 15 CYS CA C 15 59.645 60.448 -0.803 1
1 90 . 18 1 1 A 15 15 CYS HA H 15 4.650 4.548 0.102 1
1 91 . 18 1 1 A 15 15 CYS CB C 15 30.010 28.697 1.313 1
1 93 . 18 1 1 A 15 15 CYS C C 15 177.625 175.811 1.814 1
1 95 . 18 1 1 A 16 16 GLU N N 16 115.168 127.701 -12.533 1
1 96 . 18 1 1 A 16 16 GLU H H 16 9.873 9.201 0.672 1
1 97 . 18 1 1 A 16 16 GLU CA C 16 58.804 56.691 2.113 1
1 98 . 18 1 1 A 16 16 GLU HA H 16 4.169 4.528 -0.359 1
1 99 . 18 1 1 A 16 16 GLU CB C 16 29.630 29.926 -0.296 1
1 103 . 18 1 1 A 16 16 GLU C C 16 176.727 176.729 -0.002 1
1 106 . 18 1 1 A 17 17 GLU N N 17 120.669 117.712 2.957 1
1 107 . 18 1 1 A 17 17 GLU H H 17 8.841 7.535 1.306 1
1 108 . 18 1 1 A 17 17 GLU CA C 17 58.374 57.038 1.336 1
1 109 . 18 1 1 A 17 17 GLU HA H 17 4.246 4.509 -0.263 1
1 110 . 18 1 1 A 17 17 GLU CB C 17 29.475 31.771 -2.296 1
1 114 . 18 1 1 A 17 17 GLU C C 17 177.380 177.949 -0.569 1
1 117 . 18 1 1 A 18 18 CYS N N 18 114.881 114.677 0.204 1
1 118 . 18 1 1 A 18 18 CYS H H 18 8.097 7.700 0.397 1
1 119 . 18 1 1 A 18 18 CYS CA C 18 58.406 59.261 -0.855 1
1 120 . 18 1 1 A 18 18 CYS HA H 18 5.201 4.768 0.433 1
1 121 . 18 1 1 A 18 18 CYS CB C 18 32.573 30.613 1.960 1
1 123 . 18 1 1 A 18 18 CYS C C 18 176.431 175.846 0.585 1
1 125 . 18 1 1 A 19 19 GLY N N 19 113.739 109.180 4.559 1
1 126 . 18 1 1 A 19 19 GLY H H 19 8.213 8.154 0.059 1
1 127 . 18 1 1 A 19 19 GLY CA C 19 46.251 46.681 -0.430 1
1 128 . 18 1 1 A 19 19 GLY HA3 H 19 4.264 4.048 0.216 1
1 129 . 18 1 1 A 19 19 GLY C C 19 173.590 174.626 -1.036 1
1 130 . 18 1 1 A 19 19 GLY HA2 H 19 3.805 4.019 -0.214 1
1 131 . 18 1 1 A 20 20 LYS N N 20 123.026 120.812 2.214 1
1 132 . 18 1 1 A 20 20 LYS H H 20 7.945 8.101 -0.156 1
1 133 . 18 1 1 A 20 20 LYS CA C 20 58.313 57.090 1.223 1
1 134 . 18 1 1 A 20 20 LYS HA H 20 3.959 4.260 -0.301 1
1 135 . 18 1 1 A 20 20 LYS CB C 20 33.856 34.238 -0.382 1
1 142 . 18 1 1 A 20 20 LYS C C 20 174.525 176.433 -1.908 1
1 147 . 18 1 1 A 21 21 GLY N N 21 108.257 106.493 1.764 1
1 148 . 18 1 1 A 21 21 GLY H H 21 7.930 7.944 -0.014 1
1 149 . 18 1 1 A 21 21 GLY CA C 21 44.040 44.572 -0.532 1
1 150 . 18 1 1 A 21 21 GLY HA3 H 21 4.917 4.059 0.858 1
1 151 . 18 1 1 A 21 21 GLY C C 21 172.346 172.492 -0.146 1
1 152 . 18 1 1 A 21 21 GLY HA2 H 21 3.302 3.908 -0.606 1
1 153 . 18 1 1 A 22 22 PHE N N 22 117.898 120.497 -2.599 1
1 154 . 18 1 1 A 22 22 PHE H H 22 8.698 9.292 -0.594 1
1 155 . 18 1 1 A 22 22 PHE CA C 22 57.478 56.282 1.196 1
1 156 . 18 1 1 A 22 22 PHE HA H 22 4.736 5.144 -0.408 1
1 157 . 18 1 1 A 22 22 PHE CB C 22 43.762 43.858 -0.096 1
1 169 . 18 1 1 A 22 22 PHE C C 22 175.511 175.479 0.032 1
1 171 . 18 1 1 A 23 23 ILE N N 23 117.272 121.169 -3.897 1
1 172 . 18 1 1 A 23 23 ILE H H 23 9.358 8.728 0.630 1
1 173 . 18 1 1 A 23 23 ILE CA C 23 62.295 63.089 -0.794 1
1 174 . 18 1 1 A 23 23 ILE HA H 23 4.392 4.164 0.228 1
1 175 . 18 1 1 A 23 23 ILE CB C 23 39.428 38.847 0.581 1
1 187 . 18 1 1 A 23 23 ILE C C 23 175.245 176.657 -1.412 1
1 189 . 18 1 1 A 24 24 CYS N N 24 112.667 120.109 -7.442 1
1 190 . 18 1 1 A 24 24 CYS H H 24 7.593 7.900 -0.307 1
1 191 . 18 1 1 A 24 24 CYS CA C 24 55.415 58.839 -3.424 1
1 192 . 18 1 1 A 24 24 CYS HA H 24 4.902 4.703 0.199 1
1 193 . 18 1 1 A 24 24 CYS CB C 24 30.722 28.731 1.991 1
1 195 . 18 1 1 A 24 24 CYS C C 24 173.592 175.026 -1.434 1
1 197 . 18 1 1 A 25 25 ARG N N 25 124.960 124.681 0.279 1
1 198 . 18 1 1 A 25 25 ARG H H 25 8.413 8.722 -0.309 1
1 199 . 18 1 1 A 25 25 ARG CA C 25 59.380 58.728 0.652 1
1 200 . 18 1 1 A 25 25 ARG HA H 25 3.000 3.136 -0.136 1
1 201 . 18 1 1 A 25 25 ARG CB C 25 29.593 29.479 0.114 1
1 207 . 18 1 1 A 25 25 ARG C C 25 177.723 177.872 -0.149 1
1 211 . 18 1 1 A 26 26 ARG N N 26 119.340 117.870 1.470 1
1 212 . 18 1 1 A 26 26 ARG H H 26 8.556 8.102 0.454 1
1 213 . 18 1 1 A 26 26 ARG CA C 26 59.426 59.126 0.300 1
1 214 . 18 1 1 A 26 26 ARG HA H 26 3.916 4.035 -0.119 1
1 215 . 18 1 1 A 26 26 ARG CB C 26 29.598 29.902 -0.304 1
1 221 . 18 1 1 A 26 26 ARG C C 26 178.094 178.285 -0.191 1
1 225 . 18 1 1 A 27 27 ASP N N 27 119.260 119.824 -0.564 1
1 226 . 18 1 1 A 27 27 ASP H H 27 7.230 8.025 -0.795 1
1 227 . 18 1 1 A 27 27 ASP CA C 27 56.644 57.229 -0.585 1
1 228 . 18 1 1 A 27 27 ASP HA H 27 4.313 4.400 -0.087 1
1 229 . 18 1 1 A 27 27 ASP CB C 27 40.265 40.697 -0.432 1
1 231 . 18 1 1 A 27 27 ASP C C 27 178.277 178.271 0.006 1
1 233 . 18 1 1 A 28 28 LEU N N 28 122.446 121.574 0.872 1
1 234 . 18 1 1 A 28 28 LEU H H 28 6.896 7.253 -0.357 1
1 235 . 18 1 1 A 28 28 LEU CA C 28 57.691 57.790 -0.099 1
1 236 . 18 1 1 A 28 28 LEU HA H 28 3.060 3.041 0.019 1
1 237 . 18 1 1 A 28 28 LEU CB C 28 40.529 41.428 -0.899 1
1 249 . 18 1 1 A 28 28 LEU C C 28 176.873 177.588 -0.715 1
1 251 . 18 1 1 A 29 29 TYR N N 29 118.891 117.854 1.037 1
1 252 . 18 1 1 A 29 29 TYR H H 29 8.132 7.731 0.401 1
1 253 . 18 1 1 A 29 29 TYR CA C 29 59.994 60.317 -0.323 1
1 254 . 18 1 1 A 29 29 TYR HA H 29 4.244 4.185 0.059 1
1 255 . 18 1 1 A 29 29 TYR CB C 29 36.781 37.419 -0.638 1
1 265 . 18 1 1 A 29 29 TYR C C 29 179.157 178.200 0.957 1
1 267 . 18 1 1 A 30 30 THR N N 30 115.895 116.087 -0.192 1
1 268 . 18 1 1 A 30 30 THR H H 30 8.209 8.287 -0.078 1
1 269 . 18 1 1 A 30 30 THR CA C 30 66.204 66.748 -0.544 1
1 270 . 18 1 1 A 30 30 THR HA H 30 3.916 3.888 0.028 1
1 271 . 18 1 1 A 30 30 THR CB C 30 68.718 68.492 0.226 1
1 277 . 18 1 1 A 30 30 THR C C 30 176.781 176.335 0.446 1
1 278 . 18 1 1 A 31 31 HIS N N 31 122.097 121.703 0.394 1
1 279 . 18 1 1 A 31 31 HIS H H 31 7.587 7.800 -0.213 1
1 280 . 18 1 1 A 31 31 HIS CA C 31 59.221 59.487 -0.266 1
1 281 . 18 1 1 A 31 31 HIS HA H 31 4.204 4.183 0.021 1
1 282 . 18 1 1 A 31 31 HIS CB C 31 28.238 29.388 -1.150 1
1 288 . 18 1 1 A 31 31 HIS C C 31 176.085 177.212 -1.127 1
1 290 . 18 1 1 A 32 32 HIS N N 32 117.054 118.945 -1.891 1
1 291 . 18 1 1 A 32 32 HIS H H 32 8.430 7.943 0.487 1
1 292 . 18 1 1 A 32 32 HIS CA C 32 59.270 59.467 -0.197 1
1 293 . 18 1 1 A 32 32 HIS HA H 32 4.057 3.920 0.137 1
1 294 . 18 1 1 A 32 32 HIS CB C 32 30.135 29.781 0.354 1
1 300 . 18 1 1 A 32 32 HIS C C 32 176.903 177.312 -0.409 1
1 302 . 18 1 1 A 33 33 MET N N 33 115.224 118.439 -3.215 1
1 303 . 18 1 1 A 33 33 MET H H 33 7.167 7.841 -0.674 1
1 304 . 18 1 1 A 33 33 MET CA C 33 57.787 58.513 -0.726 1
1 305 . 18 1 1 A 33 33 MET HA H 33 4.232 3.873 0.359 1
1 306 . 18 1 1 A 33 33 MET CB C 33 32.279 32.385 -0.106 1
1 314 . 18 1 1 A 33 33 MET C C 33 178.493 178.074 0.419 1
1 317 . 18 1 1 A 34 34 VAL N N 34 117.328 116.390 0.938 1
1 318 . 18 1 1 A 34 34 VAL H H 34 8.026 7.552 0.474 1
1 319 . 18 1 1 A 34 34 VAL CA C 34 64.228 65.981 -1.753 1
1 320 . 18 1 1 A 34 34 VAL HA H 34 3.882 3.760 0.122 1
1 321 . 18 1 1 A 34 34 VAL CB C 34 31.061 31.377 -0.316 1
1 331 . 18 1 1 A 34 34 VAL C C 34 177.569 178.117 -0.548 1
1 332 . 18 1 1 A 35 35 HIS N N 35 117.001 120.512 -3.511 1
1 333 . 18 1 1 A 35 35 HIS H H 35 7.262 7.942 -0.680 1
1 334 . 18 1 1 A 35 35 HIS CA C 35 55.398 59.325 -3.927 1
1 335 . 18 1 1 A 35 35 HIS HA H 35 4.799 4.238 0.561 1
1 336 . 18 1 1 A 35 35 HIS CB C 35 28.605 29.719 -1.114 1
1 342 . 18 1 1 A 35 35 HIS C C 35 175.891 176.561 -0.670 1
1 344 . 18 1 1 A 36 36 THR N N 36 110.979 112.217 -1.238 1
1 345 . 18 1 1 A 36 36 THR H H 36 7.665 7.423 0.242 1
1 346 . 18 1 1 A 36 36 THR CA C 36 62.565 63.160 -0.595 1
1 347 . 18 1 1 A 36 36 THR HA H 36 4.329 4.240 0.089 1
1 348 . 18 1 1 A 36 36 THR CB C 36 69.832 69.805 0.027 1
1 354 . 18 1 1 A 36 36 THR C C 36 175.484 174.735 0.749 1
1 355 . 18 1 1 A 37 37 GLY N N 37 110.523 109.562 0.961 1
1 356 . 18 1 1 A 37 37 GLY H H 37 8.180 7.705 0.475 1
1 357 . 18 1 1 A 37 37 GLY CA C 37 45.329 44.845 0.484 1
1 358 . 18 1 1 A 37 37 GLY HA3 H 37 4.019 4.026 -0.007 1
1 359 . 18 1 1 A 37 37 GLY C C 37 174.008 174.524 -0.516 1
1 360 . 18 1 1 A 37 37 GLY HA2 H 37 3.962 4.023 -0.061 1
1 361 . 18 1 1 A 38 38 GLU N N 38 120.488 117.969 2.519 1
1 362 . 18 1 1 A 38 38 GLU H H 38 8.069 8.411 -0.342 1
1 363 . 18 1 1 A 38 38 GLU CA C 38 56.503 55.597 0.906 1
1 364 . 18 1 1 A 38 38 GLU HA H 38 4.246 4.571 -0.325 1
1 365 . 18 1 1 A 38 38 GLU CB C 38 30.654 29.935 0.719 1
1 371 . 18 1 1 A 39 39 LYS N N 39 123.332 123.023 0.309 1
1 372 . 18 1 1 A 39 39 LYS H H 39 8.335 7.434 0.901 1
1 373 . 18 1 1 A 39 39 LYS CA C 39 53.992 54.567 -0.575 1
1 374 . 18 1 1 A 39 39 LYS HA H 39 4.632 4.276 0.356 1
1 375 . 18 1 1 A 39 39 LYS CB C 39 32.631 33.636 -1.005 1
1 387 . 18 1 1 A 40 40 PRO CA C 40 63.250 64.861 -1.611 1
1 388 . 18 1 1 A 40 40 PRO HA H 40 4.474 4.473 0.001 1
1 389 . 18 1 1 A 40 40 PRO CB C 40 32.174 32.066 0.108 1
1 398 . 18 1 1 A 42 42 GLY CA C 42 44.688 44.271 0.417 1
1 399 . 18 1 1 A 42 42 GLY HA3 H 42 4.109 4.093 0.016 1
1 400 . 18 1 1 A 42 42 GLY HA2 H 42 4.169 4.091 0.078 1
1 401 . 18 1 1 A 43 43 PRO CA C 43 63.207 63.928 -0.721 1
1 402 . 18 1 1 A 43 43 PRO HA H 43 4.465 4.500 -0.035 1
1 403 . 18 1 1 A 43 43 PRO CB C 43 32.213 32.045 0.168 1
1 412 . 18 1 1 A 45 45 SER CA C 45 58.377 59.250 -0.873 1
1 413 . 18 1 1 A 45 45 SER HA H 45 4.447 4.072 0.375 1
1 414 . 18 1 1 A 45 45 SER CB C 45 64.066 62.292 1.774 1
1 415 . 18 1 1 A 45 45 SER C C 45 173.889 173.468 0.421 1
1 1 . 19 1 1 A 8 8 THR N N 8 112.844 116.981 -4.137 1
1 2 . 19 1 1 A 8 8 THR H H 8 8.151 8.599 -0.448 1
1 3 . 19 1 1 A 8 8 THR CA C 8 61.903 62.237 -0.334 1
1 4 . 19 1 1 A 8 8 THR HA H 8 4.363 4.341 0.022 1
1 5 . 19 1 1 A 8 8 THR CB C 8 69.727 67.933 1.794 1
1 11 . 19 1 1 A 8 8 THR C C 8 175.240 174.866 0.374 1
1 12 . 19 1 1 A 9 9 GLY N N 9 111.083 113.041 -1.958 1
1 13 . 19 1 1 A 9 9 GLY H H 9 8.440 8.599 -0.159 1
1 14 . 19 1 1 A 9 9 GLY CA C 9 45.249 46.091 -0.842 1
1 15 . 19 1 1 A 9 9 GLY HA3 H 9 3.973 3.962 0.011 1
1 16 . 19 1 1 A 9 9 GLY C C 9 174.005 174.229 -0.224 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 3.925 3.960 -0.035 1
1 18 . 19 1 1 A 10 10 GLU N N 10 120.520 120.051 0.469 1
1 19 . 19 1 1 A 10 10 GLU H H 10 8.187 8.007 0.180 1
1 20 . 19 1 1 A 10 10 GLU CA C 10 56.547 56.402 0.145 1
1 21 . 19 1 1 A 10 10 GLU HA H 10 4.204 4.243 -0.039 1
1 22 . 19 1 1 A 10 10 GLU CB C 10 30.461 30.084 0.377 1
1 28 . 19 1 1 A 11 11 LYS N N 11 122.559 121.920 0.639 1
1 29 . 19 1 1 A 11 11 LYS H H 11 8.393 8.497 -0.104 1
1 30 . 19 1 1 A 11 11 LYS CA C 11 53.799 52.902 0.897 1
1 31 . 19 1 1 A 11 11 LYS HA H 11 4.462 4.689 -0.227 1
1 32 . 19 1 1 A 11 11 LYS CB C 11 32.248 32.915 -0.667 1
1 44 . 19 1 1 A 12 12 PRO CA C 12 63.975 64.564 -0.589 1
1 45 . 19 1 1 A 12 12 PRO HA H 12 4.191 4.291 -0.100 1
1 46 . 19 1 1 A 12 12 PRO CB C 12 32.032 31.861 0.171 1
1 51 . 19 1 1 A 12 12 PRO C C 12 176.302 175.883 0.419 1
1 55 . 19 1 1 A 13 13 TYR N N 13 117.435 117.666 -0.231 1
1 56 . 19 1 1 A 13 13 TYR H H 13 7.669 7.205 0.464 1
1 57 . 19 1 1 A 13 13 TYR CA C 13 57.269 56.926 0.343 1
1 58 . 19 1 1 A 13 13 TYR HA H 13 4.691 5.327 -0.636 1
1 59 . 19 1 1 A 13 13 TYR CB C 13 38.999 41.019 -2.020 1
1 69 . 19 1 1 A 13 13 TYR C C 13 174.478 174.177 0.301 1
1 71 . 19 1 1 A 14 14 LYS N N 14 123.791 125.090 -1.299 1
1 72 . 19 1 1 A 14 14 LYS H H 14 8.654 9.205 -0.551 1
1 73 . 19 1 1 A 14 14 LYS CA C 14 54.812 54.105 0.707 1
1 74 . 19 1 1 A 14 14 LYS HA H 14 5.127 5.230 -0.103 1
1 75 . 19 1 1 A 14 14 LYS CB C 14 35.391 36.147 -0.756 1
1 82 . 19 1 1 A 14 14 LYS C C 14 175.398 175.123 0.275 1
1 87 . 19 1 1 A 15 15 CYS N N 15 126.096 124.043 2.053 1
1 88 . 19 1 1 A 15 15 CYS H H 15 9.178 9.097 0.081 1
1 89 . 19 1 1 A 15 15 CYS CA C 15 59.645 59.099 0.546 1
1 90 . 19 1 1 A 15 15 CYS HA H 15 4.650 4.790 -0.140 1
1 91 . 19 1 1 A 15 15 CYS CB C 15 30.010 29.166 0.844 1
1 93 . 19 1 1 A 15 15 CYS C C 15 177.625 174.739 2.886 1
1 95 . 19 1 1 A 16 16 GLU N N 16 115.168 125.358 -10.190 1
1 96 . 19 1 1 A 16 16 GLU H H 16 9.873 9.039 0.834 1
1 97 . 19 1 1 A 16 16 GLU CA C 16 58.804 57.738 1.066 1
1 98 . 19 1 1 A 16 16 GLU HA H 16 4.169 4.360 -0.191 1
1 99 . 19 1 1 A 16 16 GLU CB C 16 29.630 30.359 -0.729 1
1 103 . 19 1 1 A 16 16 GLU C C 16 176.727 178.847 -2.120 1
1 106 . 19 1 1 A 17 17 GLU N N 17 120.669 119.280 1.389 1
1 107 . 19 1 1 A 17 17 GLU H H 17 8.841 7.938 0.903 1
1 108 . 19 1 1 A 17 17 GLU CA C 17 58.374 58.697 -0.323 1
1 109 . 19 1 1 A 17 17 GLU HA H 17 4.246 3.965 0.281 1
1 110 . 19 1 1 A 17 17 GLU CB C 17 29.475 28.958 0.517 1
1 114 . 19 1 1 A 17 17 GLU C C 17 177.380 178.250 -0.870 1
1 117 . 19 1 1 A 18 18 CYS N N 18 114.881 114.995 -0.114 1
1 118 . 19 1 1 A 18 18 CYS H H 18 8.097 7.599 0.498 1
1 119 . 19 1 1 A 18 18 CYS CA C 18 58.406 59.340 -0.934 1
1 120 . 19 1 1 A 18 18 CYS HA H 18 5.201 4.741 0.460 1
1 121 . 19 1 1 A 18 18 CYS CB C 18 32.573 30.546 2.027 1
1 123 . 19 1 1 A 18 18 CYS C C 18 176.431 175.978 0.453 1
1 125 . 19 1 1 A 19 19 GLY N N 19 113.739 109.509 4.230 1
1 126 . 19 1 1 A 19 19 GLY H H 19 8.213 8.147 0.066 1
1 127 . 19 1 1 A 19 19 GLY CA C 19 46.251 46.611 -0.360 1
1 128 . 19 1 1 A 19 19 GLY HA3 H 19 4.264 4.010 0.254 1
1 129 . 19 1 1 A 19 19 GLY C C 19 173.590 174.587 -0.997 1
1 130 . 19 1 1 A 19 19 GLY HA2 H 19 3.805 3.970 -0.165 1
1 131 . 19 1 1 A 20 20 LYS N N 20 123.026 120.665 2.361 1
1 132 . 19 1 1 A 20 20 LYS H H 20 7.945 7.947 -0.002 1
1 133 . 19 1 1 A 20 20 LYS CA C 20 58.313 57.276 1.037 1
1 134 . 19 1 1 A 20 20 LYS HA H 20 3.959 4.073 -0.114 1
1 135 . 19 1 1 A 20 20 LYS CB C 20 33.856 33.748 0.108 1
1 142 . 19 1 1 A 20 20 LYS C C 20 174.525 176.349 -1.824 1
1 147 . 19 1 1 A 21 21 GLY N N 21 108.257 106.214 2.043 1
1 148 . 19 1 1 A 21 21 GLY H H 21 7.930 7.564 0.366 1
1 149 . 19 1 1 A 21 21 GLY CA C 21 44.040 44.335 -0.295 1
1 150 . 19 1 1 A 21 21 GLY HA3 H 21 4.917 3.921 0.996 1
1 151 . 19 1 1 A 21 21 GLY C C 21 172.346 172.242 0.104 1
1 152 . 19 1 1 A 21 21 GLY HA2 H 21 3.302 3.815 -0.513 1
1 153 . 19 1 1 A 22 22 PHE N N 22 117.898 120.818 -2.920 1
1 154 . 19 1 1 A 22 22 PHE H H 22 8.698 9.026 -0.328 1
1 155 . 19 1 1 A 22 22 PHE CA C 22 57.478 56.287 1.191 1
1 156 . 19 1 1 A 22 22 PHE HA H 22 4.736 5.147 -0.411 1
1 157 . 19 1 1 A 22 22 PHE CB C 22 43.762 43.771 -0.009 1
1 169 . 19 1 1 A 22 22 PHE C C 22 175.511 175.712 -0.201 1
1 171 . 19 1 1 A 23 23 ILE N N 23 117.272 121.446 -4.174 1
1 172 . 19 1 1 A 23 23 ILE H H 23 9.358 8.731 0.627 1
1 173 . 19 1 1 A 23 23 ILE CA C 23 62.295 63.022 -0.727 1
1 174 . 19 1 1 A 23 23 ILE HA H 23 4.392 4.246 0.146 1
1 175 . 19 1 1 A 23 23 ILE CB C 23 39.428 38.788 0.640 1
1 187 . 19 1 1 A 23 23 ILE C C 23 175.245 176.494 -1.249 1
1 189 . 19 1 1 A 24 24 CYS N N 24 112.667 119.581 -6.914 1
1 190 . 19 1 1 A 24 24 CYS H H 24 7.593 7.995 -0.402 1
1 191 . 19 1 1 A 24 24 CYS CA C 24 55.415 58.108 -2.693 1
1 192 . 19 1 1 A 24 24 CYS HA H 24 4.902 4.859 0.043 1
1 193 . 19 1 1 A 24 24 CYS CB C 24 30.722 29.970 0.752 1
1 195 . 19 1 1 A 24 24 CYS C C 24 173.592 174.252 -0.660 1
1 197 . 19 1 1 A 25 25 ARG N N 25 124.960 123.830 1.130 1
1 198 . 19 1 1 A 25 25 ARG H H 25 8.413 8.626 -0.213 1
1 199 . 19 1 1 A 25 25 ARG CA C 25 59.380 59.139 0.241 1
1 200 . 19 1 1 A 25 25 ARG HA H 25 3.000 3.745 -0.745 1
1 201 . 19 1 1 A 25 25 ARG CB C 25 29.593 30.579 -0.986 1
1 207 . 19 1 1 A 25 25 ARG C C 25 177.723 178.673 -0.950 1
1 211 . 19 1 1 A 26 26 ARG N N 26 119.340 119.541 -0.201 1
1 212 . 19 1 1 A 26 26 ARG H H 26 8.556 8.037 0.519 1
1 213 . 19 1 1 A 26 26 ARG CA C 26 59.426 59.412 0.014 1
1 214 . 19 1 1 A 26 26 ARG HA H 26 3.916 3.910 0.006 1
1 215 . 19 1 1 A 26 26 ARG CB C 26 29.598 30.081 -0.483 1
1 221 . 19 1 1 A 26 26 ARG C C 26 178.094 178.672 -0.578 1
1 225 . 19 1 1 A 27 27 ASP N N 27 119.260 119.678 -0.418 1
1 226 . 19 1 1 A 27 27 ASP H H 27 7.230 7.959 -0.729 1
1 227 . 19 1 1 A 27 27 ASP CA C 27 56.644 57.197 -0.553 1
1 228 . 19 1 1 A 27 27 ASP HA H 27 4.313 4.403 -0.090 1
1 229 . 19 1 1 A 27 27 ASP CB C 27 40.265 40.704 -0.439 1
1 231 . 19 1 1 A 27 27 ASP C C 27 178.277 178.505 -0.228 1
1 233 . 19 1 1 A 28 28 LEU N N 28 122.446 120.755 1.691 1
1 234 . 19 1 1 A 28 28 LEU H H 28 6.896 7.868 -0.972 1
1 235 . 19 1 1 A 28 28 LEU CA C 28 57.691 57.793 -0.102 1
1 236 . 19 1 1 A 28 28 LEU HA H 28 3.060 3.244 -0.184 1
1 237 . 19 1 1 A 28 28 LEU CB C 28 40.529 41.848 -1.319 1
1 249 . 19 1 1 A 28 28 LEU C C 28 176.873 178.017 -1.144 1
1 251 . 19 1 1 A 29 29 TYR N N 29 118.891 118.068 0.823 1
1 252 . 19 1 1 A 29 29 TYR H H 29 8.132 8.451 -0.319 1
1 253 . 19 1 1 A 29 29 TYR CA C 29 59.994 60.221 -0.227 1
1 254 . 19 1 1 A 29 29 TYR HA H 29 4.244 4.267 -0.023 1
1 255 . 19 1 1 A 29 29 TYR CB C 29 36.781 38.334 -1.553 1
1 265 . 19 1 1 A 29 29 TYR C C 29 179.157 178.289 0.868 1
1 267 . 19 1 1 A 30 30 THR N N 30 115.895 115.637 0.258 1
1 268 . 19 1 1 A 30 30 THR H H 30 8.209 8.623 -0.414 1
1 269 . 19 1 1 A 30 30 THR CA C 30 66.204 67.165 -0.961 1
1 270 . 19 1 1 A 30 30 THR HA H 30 3.916 3.932 -0.016 1
1 271 . 19 1 1 A 30 30 THR CB C 30 68.718 68.422 0.296 1
1 277 . 19 1 1 A 30 30 THR C C 30 176.781 176.265 0.516 1
1 278 . 19 1 1 A 31 31 HIS N N 31 122.097 121.296 0.801 1
1 279 . 19 1 1 A 31 31 HIS H H 31 7.587 8.187 -0.600 1
1 280 . 19 1 1 A 31 31 HIS CA C 31 59.221 59.479 -0.258 1
1 281 . 19 1 1 A 31 31 HIS HA H 31 4.204 4.227 -0.023 1
1 282 . 19 1 1 A 31 31 HIS CB C 31 28.238 29.611 -1.373 1
1 288 . 19 1 1 A 31 31 HIS C C 31 176.085 177.088 -1.003 1
1 290 . 19 1 1 A 32 32 HIS N N 32 117.054 119.170 -2.116 1
1 291 . 19 1 1 A 32 32 HIS H H 32 8.430 7.874 0.556 1
1 292 . 19 1 1 A 32 32 HIS CA C 32 59.270 59.722 -0.452 1
1 293 . 19 1 1 A 32 32 HIS HA H 32 4.057 3.882 0.175 1
1 294 . 19 1 1 A 32 32 HIS CB C 32 30.135 30.085 0.050 1
1 300 . 19 1 1 A 32 32 HIS C C 32 176.903 177.261 -0.358 1
1 302 . 19 1 1 A 33 33 MET N N 33 115.224 118.445 -3.221 1
1 303 . 19 1 1 A 33 33 MET H H 33 7.167 8.308 -1.141 1
1 304 . 19 1 1 A 33 33 MET CA C 33 57.787 58.458 -0.671 1
1 305 . 19 1 1 A 33 33 MET HA H 33 4.232 4.059 0.173 1
1 306 . 19 1 1 A 33 33 MET CB C 33 32.279 32.587 -0.308 1
1 314 . 19 1 1 A 33 33 MET C C 33 178.493 178.141 0.352 1
1 317 . 19 1 1 A 34 34 VAL N N 34 117.328 116.548 0.780 1
1 318 . 19 1 1 A 34 34 VAL H H 34 8.026 8.009 0.017 1
1 319 . 19 1 1 A 34 34 VAL CA C 34 64.228 64.707 -0.479 1
1 320 . 19 1 1 A 34 34 VAL HA H 34 3.882 3.840 0.042 1
1 321 . 19 1 1 A 34 34 VAL CB C 34 31.061 31.273 -0.212 1
1 331 . 19 1 1 A 34 34 VAL C C 34 177.569 176.408 1.161 1
1 332 . 19 1 1 A 35 35 HIS N N 35 117.001 119.710 -2.709 1
1 333 . 19 1 1 A 35 35 HIS H H 35 7.262 7.537 -0.275 1
1 334 . 19 1 1 A 35 35 HIS CA C 35 55.398 57.664 -2.266 1
1 335 . 19 1 1 A 35 35 HIS HA H 35 4.799 4.380 0.419 1
1 336 . 19 1 1 A 35 35 HIS CB C 35 28.605 30.919 -2.314 1
1 342 . 19 1 1 A 35 35 HIS C C 35 175.891 175.454 0.437 1
1 344 . 19 1 1 A 36 36 THR N N 36 110.979 112.544 -1.565 1
1 345 . 19 1 1 A 36 36 THR H H 36 7.665 7.748 -0.083 1
1 346 . 19 1 1 A 36 36 THR CA C 36 62.565 61.499 1.066 1
1 347 . 19 1 1 A 36 36 THR HA H 36 4.329 4.440 -0.111 1
1 348 . 19 1 1 A 36 36 THR CB C 36 69.832 69.472 0.360 1
1 354 . 19 1 1 A 36 36 THR C C 36 175.484 175.622 -0.138 1
1 355 . 19 1 1 A 37 37 GLY N N 37 110.523 110.504 0.019 1
1 356 . 19 1 1 A 37 37 GLY H H 37 8.180 7.886 0.294 1
1 357 . 19 1 1 A 37 37 GLY CA C 37 45.329 46.123 -0.794 1
1 358 . 19 1 1 A 37 37 GLY HA3 H 37 4.019 4.047 -0.028 1
1 359 . 19 1 1 A 37 37 GLY C C 37 174.008 173.993 0.015 1
1 360 . 19 1 1 A 37 37 GLY HA2 H 37 3.962 4.038 -0.076 1
1 361 . 19 1 1 A 38 38 GLU N N 38 120.488 120.280 0.208 1
1 362 . 19 1 1 A 38 38 GLU H H 38 8.069 8.143 -0.074 1
1 363 . 19 1 1 A 38 38 GLU CA C 38 56.503 55.806 0.697 1
1 364 . 19 1 1 A 38 38 GLU HA H 38 4.246 4.400 -0.154 1
1 365 . 19 1 1 A 38 38 GLU CB C 38 30.654 30.543 0.111 1
1 371 . 19 1 1 A 39 39 LYS N N 39 123.332 127.461 -4.129 1
1 372 . 19 1 1 A 39 39 LYS H H 39 8.335 8.255 0.080 1
1 373 . 19 1 1 A 39 39 LYS CA C 39 53.992 54.575 -0.583 1
1 374 . 19 1 1 A 39 39 LYS HA H 39 4.632 4.328 0.304 1
1 375 . 19 1 1 A 39 39 LYS CB C 39 32.631 33.027 -0.396 1
1 387 . 19 1 1 A 40 40 PRO CA C 40 63.250 62.535 0.715 1
1 388 . 19 1 1 A 40 40 PRO HA H 40 4.474 4.643 -0.169 1
1 389 . 19 1 1 A 40 40 PRO CB C 40 32.174 31.529 0.645 1
1 398 . 19 1 1 A 42 42 GLY CA C 42 44.688 45.606 -0.918 1
1 399 . 19 1 1 A 42 42 GLY HA3 H 42 4.109 4.085 0.024 1
1 400 . 19 1 1 A 42 42 GLY HA2 H 42 4.169 4.080 0.089 1
1 401 . 19 1 1 A 43 43 PRO CA C 43 63.207 62.697 0.510 1
1 402 . 19 1 1 A 43 43 PRO HA H 43 4.465 4.589 -0.124 1
1 403 . 19 1 1 A 43 43 PRO CB C 43 32.213 32.279 -0.066 1
1 412 . 19 1 1 A 45 45 SER CA C 45 58.377 57.173 1.204 1
1 413 . 19 1 1 A 45 45 SER HA H 45 4.447 4.844 -0.397 1
1 414 . 19 1 1 A 45 45 SER CB C 45 64.066 66.065 -1.999 1
1 415 . 19 1 1 A 45 45 SER C C 45 173.889 174.497 -0.608 1
1 1 . 20 1 1 A 8 8 THR N N 8 112.844 111.679 1.165 1
1 2 . 20 1 1 A 8 8 THR H H 8 8.151 8.274 -0.123 1
1 3 . 20 1 1 A 8 8 THR CA C 8 61.903 59.353 2.550 1
1 4 . 20 1 1 A 8 8 THR HA H 8 4.363 5.151 -0.788 1
1 5 . 20 1 1 A 8 8 THR CB C 8 69.727 71.501 -1.774 1
1 11 . 20 1 1 A 8 8 THR C C 8 175.240 173.510 1.730 1
1 12 . 20 1 1 A 9 9 GLY N N 9 111.083 109.106 1.977 1
1 13 . 20 1 1 A 9 9 GLY H H 9 8.440 8.572 -0.132 1
1 14 . 20 1 1 A 9 9 GLY CA C 9 45.249 44.825 0.424 1
1 15 . 20 1 1 A 9 9 GLY HA3 H 9 3.973 4.178 -0.205 1
1 16 . 20 1 1 A 9 9 GLY C C 9 174.005 172.276 1.729 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 3.925 4.174 -0.249 1
1 18 . 20 1 1 A 10 10 GLU N N 10 120.520 124.341 -3.821 1
1 19 . 20 1 1 A 10 10 GLU H H 10 8.187 8.714 -0.527 1
1 20 . 20 1 1 A 10 10 GLU CA C 10 56.547 54.876 1.671 1
1 21 . 20 1 1 A 10 10 GLU HA H 10 4.204 5.035 -0.831 1
1 22 . 20 1 1 A 10 10 GLU CB C 10 30.461 31.455 -0.994 1
1 28 . 20 1 1 A 11 11 LYS N N 11 122.559 126.408 -3.849 1
1 29 . 20 1 1 A 11 11 LYS H H 11 8.393 8.596 -0.203 1
1 30 . 20 1 1 A 11 11 LYS CA C 11 53.799 54.949 -1.150 1
1 31 . 20 1 1 A 11 11 LYS HA H 11 4.462 4.287 0.175 1
1 32 . 20 1 1 A 11 11 LYS CB C 11 32.248 31.790 0.458 1
1 44 . 20 1 1 A 12 12 PRO CA C 12 63.975 64.989 -1.014 1
1 45 . 20 1 1 A 12 12 PRO HA H 12 4.191 4.513 -0.322 1
1 46 . 20 1 1 A 12 12 PRO CB C 12 32.032 32.307 -0.275 1
1 51 . 20 1 1 A 12 12 PRO C C 12 176.302 176.184 0.118 1
1 55 . 20 1 1 A 13 13 TYR N N 13 117.435 118.459 -1.024 1
1 56 . 20 1 1 A 13 13 TYR H H 13 7.669 7.561 0.108 1
1 57 . 20 1 1 A 13 13 TYR CA C 13 57.269 57.178 0.091 1
1 58 . 20 1 1 A 13 13 TYR HA H 13 4.691 5.126 -0.435 1
1 59 . 20 1 1 A 13 13 TYR CB C 13 38.999 40.880 -1.881 1
1 69 . 20 1 1 A 13 13 TYR C C 13 174.478 174.279 0.199 1
1 71 . 20 1 1 A 14 14 LYS N N 14 123.791 123.371 0.420 1
1 72 . 20 1 1 A 14 14 LYS H H 14 8.654 8.961 -0.307 1
1 73 . 20 1 1 A 14 14 LYS CA C 14 54.812 54.433 0.379 1
1 74 . 20 1 1 A 14 14 LYS HA H 14 5.127 5.178 -0.051 1
1 75 . 20 1 1 A 14 14 LYS CB C 14 35.391 36.211 -0.820 1
1 82 . 20 1 1 A 14 14 LYS C C 14 175.398 174.481 0.917 1
1 87 . 20 1 1 A 15 15 CYS N N 15 126.096 123.925 2.171 1
1 88 . 20 1 1 A 15 15 CYS H H 15 9.178 9.050 0.128 1
1 89 . 20 1 1 A 15 15 CYS CA C 15 59.645 58.753 0.892 1
1 90 . 20 1 1 A 15 15 CYS HA H 15 4.650 4.741 -0.091 1
1 91 . 20 1 1 A 15 15 CYS CB C 15 30.010 29.527 0.483 1
1 93 . 20 1 1 A 15 15 CYS C C 15 177.625 175.370 2.255 1
1 95 . 20 1 1 A 16 16 GLU N N 16 115.168 126.575 -11.407 1
1 96 . 20 1 1 A 16 16 GLU H H 16 9.873 8.932 0.941 1
1 97 . 20 1 1 A 16 16 GLU CA C 16 58.804 59.192 -0.388 1
1 98 . 20 1 1 A 16 16 GLU HA H 16 4.169 4.066 0.103 1
1 99 . 20 1 1 A 16 16 GLU CB C 16 29.630 29.398 0.232 1
1 103 . 20 1 1 A 16 16 GLU C C 16 176.727 178.265 -1.538 1
1 106 . 20 1 1 A 17 17 GLU N N 17 120.669 118.999 1.670 1
1 107 . 20 1 1 A 17 17 GLU H H 17 8.841 7.820 1.021 1
1 108 . 20 1 1 A 17 17 GLU CA C 17 58.374 58.749 -0.375 1
1 109 . 20 1 1 A 17 17 GLU HA H 17 4.246 3.990 0.256 1
1 110 . 20 1 1 A 17 17 GLU CB C 17 29.475 28.558 0.917 1
1 114 . 20 1 1 A 17 17 GLU C C 17 177.380 178.306 -0.926 1
1 117 . 20 1 1 A 18 18 CYS N N 18 114.881 114.669 0.212 1
1 118 . 20 1 1 A 18 18 CYS H H 18 8.097 7.593 0.504 1
1 119 . 20 1 1 A 18 18 CYS CA C 18 58.406 59.329 -0.923 1
1 120 . 20 1 1 A 18 18 CYS HA H 18 5.201 4.715 0.486 1
1 121 . 20 1 1 A 18 18 CYS CB C 18 32.573 30.375 2.198 1
1 123 . 20 1 1 A 18 18 CYS C C 18 176.431 175.786 0.645 1
1 125 . 20 1 1 A 19 19 GLY N N 19 113.739 109.608 4.131 1
1 126 . 20 1 1 A 19 19 GLY H H 19 8.213 8.212 0.001 1
1 127 . 20 1 1 A 19 19 GLY CA C 19 46.251 46.804 -0.553 1
1 128 . 20 1 1 A 19 19 GLY HA3 H 19 4.264 4.027 0.237 1
1 129 . 20 1 1 A 19 19 GLY C C 19 173.590 174.570 -0.980 1
1 130 . 20 1 1 A 19 19 GLY HA2 H 19 3.805 3.974 -0.169 1
1 131 . 20 1 1 A 20 20 LYS N N 20 123.026 121.362 1.664 1
1 132 . 20 1 1 A 20 20 LYS H H 20 7.945 8.125 -0.180 1
1 133 . 20 1 1 A 20 20 LYS CA C 20 58.313 57.366 0.947 1
1 134 . 20 1 1 A 20 20 LYS HA H 20 3.959 4.310 -0.351 1
1 135 . 20 1 1 A 20 20 LYS CB C 20 33.856 33.926 -0.070 1
1 142 . 20 1 1 A 20 20 LYS C C 20 174.525 176.481 -1.956 1
1 147 . 20 1 1 A 21 21 GLY N N 21 108.257 105.738 2.519 1
1 148 . 20 1 1 A 21 21 GLY H H 21 7.930 7.122 0.808 1
1 149 . 20 1 1 A 21 21 GLY CA C 21 44.040 44.880 -0.840 1
1 150 . 20 1 1 A 21 21 GLY HA3 H 21 4.917 4.000 0.917 1
1 151 . 20 1 1 A 21 21 GLY C C 21 172.346 171.975 0.371 1
1 152 . 20 1 1 A 21 21 GLY HA2 H 21 3.302 3.875 -0.573 1
1 153 . 20 1 1 A 22 22 PHE N N 22 117.898 121.070 -3.172 1
1 154 . 20 1 1 A 22 22 PHE H H 22 8.698 9.393 -0.695 1
1 155 . 20 1 1 A 22 22 PHE CA C 22 57.478 56.294 1.184 1
1 156 . 20 1 1 A 22 22 PHE HA H 22 4.736 5.267 -0.531 1
1 157 . 20 1 1 A 22 22 PHE CB C 22 43.762 44.149 -0.387 1
1 169 . 20 1 1 A 22 22 PHE C C 22 175.511 174.108 1.403 1
1 171 . 20 1 1 A 23 23 ILE N N 23 117.272 117.142 0.130 1
1 172 . 20 1 1 A 23 23 ILE H H 23 9.358 8.511 0.847 1
1 173 . 20 1 1 A 23 23 ILE CA C 23 62.295 59.902 2.393 1
1 174 . 20 1 1 A 23 23 ILE HA H 23 4.392 4.439 -0.047 1
1 175 . 20 1 1 A 23 23 ILE CB C 23 39.428 38.656 0.772 1
1 187 . 20 1 1 A 23 23 ILE C C 23 175.245 174.968 0.277 1
1 189 . 20 1 1 A 24 24 CYS N N 24 112.667 118.698 -6.031 1
1 190 . 20 1 1 A 24 24 CYS H H 24 7.593 7.488 0.105 1
1 191 . 20 1 1 A 24 24 CYS CA C 24 55.415 57.828 -2.413 1
1 192 . 20 1 1 A 24 24 CYS HA H 24 4.902 4.215 0.687 1
1 193 . 20 1 1 A 24 24 CYS CB C 24 30.722 30.659 0.063 1
1 195 . 20 1 1 A 24 24 CYS C C 24 173.592 173.697 -0.105 1
1 197 . 20 1 1 A 25 25 ARG N N 25 124.960 123.915 1.045 1
1 198 . 20 1 1 A 25 25 ARG H H 25 8.413 9.035 -0.622 1
1 199 . 20 1 1 A 25 25 ARG CA C 25 59.380 58.749 0.631 1
1 200 . 20 1 1 A 25 25 ARG HA H 25 3.000 4.223 -1.223 1
1 201 . 20 1 1 A 25 25 ARG CB C 25 29.593 30.907 -1.314 1
1 207 . 20 1 1 A 25 25 ARG C C 25 177.723 178.674 -0.951 1
1 211 . 20 1 1 A 26 26 ARG N N 26 119.340 120.228 -0.888 1
1 212 . 20 1 1 A 26 26 ARG H H 26 8.556 8.090 0.466 1
1 213 . 20 1 1 A 26 26 ARG CA C 26 59.426 59.694 -0.268 1
1 214 . 20 1 1 A 26 26 ARG HA H 26 3.916 4.083 -0.167 1
1 215 . 20 1 1 A 26 26 ARG CB C 26 29.598 30.064 -0.466 1
1 221 . 20 1 1 A 26 26 ARG C C 26 178.094 178.346 -0.252 1
1 225 . 20 1 1 A 27 27 ASP N N 27 119.260 119.764 -0.504 1
1 226 . 20 1 1 A 27 27 ASP H H 27 7.230 8.044 -0.814 1
1 227 . 20 1 1 A 27 27 ASP CA C 27 56.644 57.255 -0.611 1
1 228 . 20 1 1 A 27 27 ASP HA H 27 4.313 4.411 -0.098 1
1 229 . 20 1 1 A 27 27 ASP CB C 27 40.265 41.215 -0.950 1
1 231 . 20 1 1 A 27 27 ASP C C 27 178.277 177.976 0.301 1
1 233 . 20 1 1 A 28 28 LEU N N 28 122.446 120.503 1.943 1
1 234 . 20 1 1 A 28 28 LEU H H 28 6.896 7.944 -1.048 1
1 235 . 20 1 1 A 28 28 LEU CA C 28 57.691 57.903 -0.212 1
1 236 . 20 1 1 A 28 28 LEU HA H 28 3.060 2.828 0.232 1
1 237 . 20 1 1 A 28 28 LEU CB C 28 40.529 41.622 -1.093 1
1 249 . 20 1 1 A 28 28 LEU C C 28 176.873 177.873 -1.000 1
1 251 . 20 1 1 A 29 29 TYR N N 29 118.891 118.243 0.648 1
1 252 . 20 1 1 A 29 29 TYR H H 29 8.132 8.778 -0.646 1
1 253 . 20 1 1 A 29 29 TYR CA C 29 59.994 60.662 -0.668 1
1 254 . 20 1 1 A 29 29 TYR HA H 29 4.244 4.233 0.011 1
1 255 . 20 1 1 A 29 29 TYR CB C 29 36.781 38.656 -1.875 1
1 265 . 20 1 1 A 29 29 TYR C C 29 179.157 178.079 1.078 1
1 267 . 20 1 1 A 30 30 THR N N 30 115.895 115.084 0.811 1
1 268 . 20 1 1 A 30 30 THR H H 30 8.209 8.280 -0.071 1
1 269 . 20 1 1 A 30 30 THR CA C 30 66.204 66.648 -0.444 1
1 270 . 20 1 1 A 30 30 THR HA H 30 3.916 3.984 -0.068 1
1 271 . 20 1 1 A 30 30 THR CB C 30 68.718 68.326 0.392 1
1 277 . 20 1 1 A 30 30 THR C C 30 176.781 176.639 0.142 1
1 278 . 20 1 1 A 31 31 HIS N N 31 122.097 119.565 2.532 1
1 279 . 20 1 1 A 31 31 HIS H H 31 7.587 8.185 -0.598 1
1 280 . 20 1 1 A 31 31 HIS CA C 31 59.221 59.770 -0.549 1
1 281 . 20 1 1 A 31 31 HIS HA H 31 4.204 4.137 0.067 1
1 282 . 20 1 1 A 31 31 HIS CB C 31 28.238 29.778 -1.540 1
1 288 . 20 1 1 A 31 31 HIS C C 31 176.085 177.007 -0.922 1
1 290 . 20 1 1 A 32 32 HIS N N 32 117.054 119.151 -2.097 1
1 291 . 20 1 1 A 32 32 HIS H H 32 8.430 8.344 0.086 1
1 292 . 20 1 1 A 32 32 HIS CA C 32 59.270 59.645 -0.375 1
1 293 . 20 1 1 A 32 32 HIS HA H 32 4.057 3.726 0.331 1
1 294 . 20 1 1 A 32 32 HIS CB C 32 30.135 30.069 0.066 1
1 300 . 20 1 1 A 32 32 HIS C C 32 176.903 176.408 0.495 1
1 302 . 20 1 1 A 33 33 MET N N 33 115.224 117.276 -2.052 1
1 303 . 20 1 1 A 33 33 MET H H 33 7.167 8.308 -1.141 1
1 304 . 20 1 1 A 33 33 MET CA C 33 57.787 58.675 -0.888 1
1 305 . 20 1 1 A 33 33 MET HA H 33 4.232 3.964 0.268 1
1 306 . 20 1 1 A 33 33 MET CB C 33 32.279 32.195 0.084 1
1 314 . 20 1 1 A 33 33 MET C C 33 178.493 178.258 0.235 1
1 317 . 20 1 1 A 34 34 VAL N N 34 117.328 116.983 0.345 1
1 318 . 20 1 1 A 34 34 VAL H H 34 8.026 8.405 -0.379 1
1 319 . 20 1 1 A 34 34 VAL CA C 34 64.228 65.593 -1.365 1
1 320 . 20 1 1 A 34 34 VAL HA H 34 3.882 3.763 0.119 1
1 321 . 20 1 1 A 34 34 VAL CB C 34 31.061 31.297 -0.236 1
1 331 . 20 1 1 A 34 34 VAL C C 34 177.569 178.019 -0.450 1
1 332 . 20 1 1 A 35 35 HIS N N 35 117.001 120.242 -3.241 1
1 333 . 20 1 1 A 35 35 HIS H H 35 7.262 7.792 -0.530 1
1 334 . 20 1 1 A 35 35 HIS CA C 35 55.398 59.471 -4.073 1
1 335 . 20 1 1 A 35 35 HIS HA H 35 4.799 4.266 0.533 1
1 336 . 20 1 1 A 35 35 HIS CB C 35 28.605 30.984 -2.379 1
1 342 . 20 1 1 A 35 35 HIS C C 35 175.891 175.930 -0.039 1
1 344 . 20 1 1 A 36 36 THR N N 36 110.979 106.606 4.373 1
1 345 . 20 1 1 A 36 36 THR H H 36 7.665 7.311 0.354 1
1 346 . 20 1 1 A 36 36 THR CA C 36 62.565 61.479 1.086 1
1 347 . 20 1 1 A 36 36 THR HA H 36 4.329 4.237 0.092 1
1 348 . 20 1 1 A 36 36 THR CB C 36 69.832 68.912 0.920 1
1 354 . 20 1 1 A 36 36 THR C C 36 175.484 174.883 0.601 1
1 355 . 20 1 1 A 37 37 GLY N N 37 110.523 110.954 -0.431 1
1 356 . 20 1 1 A 37 37 GLY H H 37 8.180 8.174 0.006 1
1 357 . 20 1 1 A 37 37 GLY CA C 37 45.329 43.950 1.379 1
1 358 . 20 1 1 A 37 37 GLY HA3 H 37 4.019 4.071 -0.052 1
1 359 . 20 1 1 A 37 37 GLY C C 37 174.008 173.503 0.505 1
1 360 . 20 1 1 A 37 37 GLY HA2 H 37 3.962 4.070 -0.108 1
1 361 . 20 1 1 A 38 38 GLU N N 38 120.488 120.810 -0.322 1
1 362 . 20 1 1 A 38 38 GLU H H 38 8.069 8.441 -0.372 1
1 363 . 20 1 1 A 38 38 GLU CA C 38 56.503 55.336 1.167 1
1 364 . 20 1 1 A 38 38 GLU HA H 38 4.246 4.476 -0.230 1
1 365 . 20 1 1 A 38 38 GLU CB C 38 30.654 28.033 2.621 1
1 371 . 20 1 1 A 39 39 LYS N N 39 123.332 118.782 4.550 1
1 372 . 20 1 1 A 39 39 LYS H H 39 8.335 7.068 1.267 1
1 373 . 20 1 1 A 39 39 LYS CA C 39 53.992 55.158 -1.166 1
1 374 . 20 1 1 A 39 39 LYS HA H 39 4.632 4.588 0.044 1
1 375 . 20 1 1 A 39 39 LYS CB C 39 32.631 32.310 0.321 1
1 387 . 20 1 1 A 40 40 PRO CA C 40 63.250 62.231 1.019 1
1 388 . 20 1 1 A 40 40 PRO HA H 40 4.474 4.695 -0.221 1
1 389 . 20 1 1 A 40 40 PRO CB C 40 32.174 29.620 2.554 1
1 398 . 20 1 1 A 42 42 GLY CA C 42 44.688 45.192 -0.504 1
1 399 . 20 1 1 A 42 42 GLY HA3 H 42 4.109 4.082 0.027 1
1 400 . 20 1 1 A 42 42 GLY HA2 H 42 4.169 4.081 0.088 1
1 401 . 20 1 1 A 43 43 PRO CA C 43 63.207 62.688 0.519 1
1 402 . 20 1 1 A 43 43 PRO HA H 43 4.465 4.603 -0.138 1
1 403 . 20 1 1 A 43 43 PRO CB C 43 32.213 32.214 -0.001 1
1 412 . 20 1 1 A 45 45 SER CA C 45 58.377 57.348 1.029 1
1 413 . 20 1 1 A 45 45 SER HA H 45 4.447 5.198 -0.751 1
1 414 . 20 1 1 A 45 45 SER CB C 45 64.066 65.210 -1.144 1
1 415 . 20 1 1 A 45 45 SER C C 45 173.889 174.164 -0.275 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 29 0.873 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.123 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.229 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.537 1
5 1 1 1 "RMS(OBS, PRED)" HA 41 0.330 1
6 1 1 1 "RMS(OBS, PRED)" N 31 3.554 1
7 1 2 1 "RMS(OBS, PRED)" C 29 1.038 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.090 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.295 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.557 1
11 1 2 1 "RMS(OBS, PRED)" HA 41 0.349 1
12 1 2 1 "RMS(OBS, PRED)" N 31 3.349 1
13 1 3 1 "RMS(OBS, PRED)" C 29 0.831 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.073 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.223 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.536 1
17 1 3 1 "RMS(OBS, PRED)" HA 41 0.327 1
18 1 3 1 "RMS(OBS, PRED)" N 31 3.271 1
19 1 4 1 "RMS(OBS, PRED)" C 29 1.079 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.194 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.423 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.609 1
23 1 4 1 "RMS(OBS, PRED)" HA 41 0.327 1
24 1 4 1 "RMS(OBS, PRED)" N 31 3.357 1
25 1 5 1 "RMS(OBS, PRED)" C 29 0.969 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.231 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.331 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.490 1
29 1 5 1 "RMS(OBS, PRED)" HA 41 0.324 1
30 1 5 1 "RMS(OBS, PRED)" N 31 3.173 1
31 1 6 1 "RMS(OBS, PRED)" C 29 0.865 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.204 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.132 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.504 1
35 1 6 1 "RMS(OBS, PRED)" HA 41 0.344 1
36 1 6 1 "RMS(OBS, PRED)" N 31 3.307 1
37 1 7 1 "RMS(OBS, PRED)" C 29 0.997 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.060 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.316 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.493 1
41 1 7 1 "RMS(OBS, PRED)" HA 41 0.311 1
42 1 7 1 "RMS(OBS, PRED)" N 31 3.104 1
43 1 8 1 "RMS(OBS, PRED)" C 29 0.779 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.461 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.389 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.456 1
47 1 8 1 "RMS(OBS, PRED)" HA 41 0.371 1
48 1 8 1 "RMS(OBS, PRED)" N 31 3.392 1
49 1 9 1 "RMS(OBS, PRED)" C 29 1.053 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.145 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.204 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.579 1
53 1 9 1 "RMS(OBS, PRED)" HA 41 0.316 1
54 1 9 1 "RMS(OBS, PRED)" N 31 3.268 1
55 1 10 1 "RMS(OBS, PRED)" C 29 1.180 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.198 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.297 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.553 1
59 1 10 1 "RMS(OBS, PRED)" HA 41 0.360 1
60 1 10 1 "RMS(OBS, PRED)" N 31 3.270 1
61 1 11 1 "RMS(OBS, PRED)" C 29 0.984 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.164 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.218 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.504 1
65 1 11 1 "RMS(OBS, PRED)" HA 41 0.332 1
66 1 11 1 "RMS(OBS, PRED)" N 31 3.195 1
67 1 12 1 "RMS(OBS, PRED)" C 29 0.962 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.238 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.528 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.570 1
71 1 12 1 "RMS(OBS, PRED)" HA 41 0.348 1
72 1 12 1 "RMS(OBS, PRED)" N 31 3.511 1
73 1 13 1 "RMS(OBS, PRED)" C 29 0.760 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.274 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.217 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.533 1
77 1 13 1 "RMS(OBS, PRED)" HA 41 0.323 1
78 1 13 1 "RMS(OBS, PRED)" N 31 3.566 1
79 1 14 1 "RMS(OBS, PRED)" C 29 1.024 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 0.971 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.159 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.508 1
83 1 14 1 "RMS(OBS, PRED)" HA 41 0.303 1
84 1 14 1 "RMS(OBS, PRED)" N 31 3.262 1
85 1 15 1 "RMS(OBS, PRED)" C 29 0.992 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.146 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.395 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.592 1
89 1 15 1 "RMS(OBS, PRED)" HA 41 0.356 1
90 1 15 1 "RMS(OBS, PRED)" N 31 3.479 1
91 1 16 1 "RMS(OBS, PRED)" C 29 1.072 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.247 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.326 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.542 1
95 1 16 1 "RMS(OBS, PRED)" HA 41 0.345 1
96 1 16 1 "RMS(OBS, PRED)" N 31 3.119 1
97 1 17 1 "RMS(OBS, PRED)" C 29 0.800 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.245 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.110 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.498 1
101 1 17 1 "RMS(OBS, PRED)" HA 41 0.332 1
102 1 17 1 "RMS(OBS, PRED)" N 31 3.479 1
103 1 18 1 "RMS(OBS, PRED)" C 29 0.833 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.233 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.065 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.509 1
107 1 18 1 "RMS(OBS, PRED)" HA 41 0.298 1
108 1 18 1 "RMS(OBS, PRED)" N 31 3.260 1
109 1 19 1 "RMS(OBS, PRED)" C 29 0.991 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 0.904 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.046 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.502 1
113 1 19 1 "RMS(OBS, PRED)" HA 41 0.298 1
114 1 19 1 "RMS(OBS, PRED)" N 31 3.070 1
115 1 20 1 "RMS(OBS, PRED)" C 29 0.998 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.292 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.249 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.614 1
119 1 20 1 "RMS(OBS, PRED)" HA 41 0.418 1
120 1 20 1 "RMS(OBS, PRED)" N 31 3.261 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 THR N N 8 112.844 114.375 -1.531 2
1 2 . 1 1 A 8 8 THR H H 8 8.151 8.335 -0.184 2
1 3 . 1 1 A 8 8 THR CA C 8 61.903 61.680 0.223 2
1 4 . 1 1 A 8 8 THR HA H 8 4.363 4.579 -0.216 2
1 5 . 1 1 A 8 8 THR CB C 8 69.727 69.542 0.185 2
1 11 . 1 1 A 8 8 THR C C 8 175.240 174.526 0.714 2
1 12 . 1 1 A 9 9 GLY N N 9 111.083 110.833 0.250 2
1 13 . 1 1 A 9 9 GLY H H 9 8.440 8.350 0.090 2
1 14 . 1 1 A 9 9 GLY CA C 9 45.249 45.264 -0.015 2
1 15 . 1 1 A 9 9 GLY HA3 H 9 3.973 4.037 -0.064 2
1 16 . 1 1 A 9 9 GLY C C 9 174.005 172.979 1.026 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 3.925 4.034 -0.109 2
1 18 . 1 1 A 10 10 GLU N N 10 120.520 120.803 -0.283 2
1 19 . 1 1 A 10 10 GLU H H 10 8.187 8.484 -0.297 2
1 20 . 1 1 A 10 10 GLU CA C 10 56.547 55.648 0.899 2
1 21 . 1 1 A 10 10 GLU HA H 10 4.204 4.666 -0.462 2
1 22 . 1 1 A 10 10 GLU CB C 10 30.461 31.251 -0.790 2
1 28 . 1 1 A 11 11 LYS N N 11 122.559 124.186 -1.627 2
1 29 . 1 1 A 11 11 LYS H H 11 8.393 8.528 -0.135 2
1 30 . 1 1 A 11 11 LYS CA C 11 53.799 53.918 -0.119 2
1 31 . 1 1 A 11 11 LYS HA H 11 4.462 4.521 -0.059 2
1 32 . 1 1 A 11 11 LYS CB C 11 32.248 32.568 -0.320 2
1 44 . 1 1 A 12 12 PRO CA C 12 63.975 64.498 -0.523 2
1 45 . 1 1 A 12 12 PRO HA H 12 4.191 4.285 -0.094 2
1 46 . 1 1 A 12 12 PRO CB C 12 32.032 31.770 0.262 2
1 51 . 1 1 A 12 12 PRO C C 12 176.302 175.807 0.495 2
1 55 . 1 1 A 13 13 TYR N N 13 117.435 117.973 -0.538 2
1 56 . 1 1 A 13 13 TYR H H 13 7.669 7.164 0.505 2
1 57 . 1 1 A 13 13 TYR CA C 13 57.269 56.813 0.456 2
1 58 . 1 1 A 13 13 TYR HA H 13 4.691 5.293 -0.602 2
1 59 . 1 1 A 13 13 TYR CB C 13 38.999 41.617 -2.618 2
1 69 . 1 1 A 13 13 TYR C C 13 174.478 174.233 0.245 2
1 71 . 1 1 A 14 14 LYS N N 14 123.791 123.823 -0.032 2
1 72 . 1 1 A 14 14 LYS H H 14 8.654 9.070 -0.416 2
1 73 . 1 1 A 14 14 LYS CA C 14 54.812 54.411 0.401 2
1 74 . 1 1 A 14 14 LYS HA H 14 5.127 5.218 -0.091 2
1 75 . 1 1 A 14 14 LYS CB C 14 35.391 36.243 -0.852 2
1 82 . 1 1 A 14 14 LYS C C 14 175.398 174.890 0.508 2
1 87 . 1 1 A 15 15 CYS N N 15 126.096 124.170 1.926 2
1 88 . 1 1 A 15 15 CYS H H 15 9.178 9.125 0.053 2
1 89 . 1 1 A 15 15 CYS CA C 15 59.645 59.604 0.041 2
1 90 . 1 1 A 15 15 CYS HA H 15 4.650 4.640 0.010 2
1 91 . 1 1 A 15 15 CYS CB C 15 30.010 28.853 1.157 2
1 93 . 1 1 A 15 15 CYS C C 15 177.625 175.545 2.080 2
1 95 . 1 1 A 16 16 GLU N N 16 115.168 126.467 -11.299 2
1 96 . 1 1 A 16 16 GLU H H 16 9.873 9.063 0.810 2
1 97 . 1 1 A 16 16 GLU CA C 16 58.804 57.637 1.167 2
1 98 . 1 1 A 16 16 GLU HA H 16 4.169 4.386 -0.217 2
1 99 . 1 1 A 16 16 GLU CB C 16 29.630 29.957 -0.327 2
1 103 . 1 1 A 16 16 GLU C C 16 176.727 178.063 -1.336 2
1 106 . 1 1 A 17 17 GLU N N 17 120.669 119.196 1.473 2
1 107 . 1 1 A 17 17 GLU H H 17 8.841 7.794 1.047 2
1 108 . 1 1 A 17 17 GLU CA C 17 58.374 58.266 0.108 2
1 109 . 1 1 A 17 17 GLU HA H 17 4.246 4.142 0.104 2
1 110 . 1 1 A 17 17 GLU CB C 17 29.475 29.595 -0.120 2
1 114 . 1 1 A 17 17 GLU C C 17 177.380 178.074 -0.694 2
1 117 . 1 1 A 18 18 CYS N N 18 114.881 114.754 0.127 2
1 118 . 1 1 A 18 18 CYS H H 18 8.097 7.742 0.355 2
1 119 . 1 1 A 18 18 CYS CA C 18 58.406 59.314 -0.908 2
1 120 . 1 1 A 18 18 CYS HA H 18 5.201 4.748 0.453 2
1 121 . 1 1 A 18 18 CYS CB C 18 32.573 30.453 2.120 2
1 123 . 1 1 A 18 18 CYS C C 18 176.431 175.802 0.629 2
1 125 . 1 1 A 19 19 GLY N N 19 113.739 109.524 4.215 2
1 126 . 1 1 A 19 19 GLY H H 19 8.213 8.163 0.050 2
1 127 . 1 1 A 19 19 GLY CA C 19 46.251 46.206 0.045 2
1 128 . 1 1 A 19 19 GLY HA3 H 19 4.264 4.028 0.236 2
1 129 . 1 1 A 19 19 GLY C C 19 173.590 174.589 -0.999 2
1 130 . 1 1 A 19 19 GLY HA2 H 19 3.805 4.001 -0.196 2
1 131 . 1 1 A 20 20 LYS N N 20 123.026 121.001 2.025 2
1 132 . 1 1 A 20 20 LYS H H 20 7.945 7.997 -0.052 2
1 133 . 1 1 A 20 20 LYS CA C 20 58.313 56.571 1.742 2
1 134 . 1 1 A 20 20 LYS HA H 20 3.959 4.318 -0.359 2
1 135 . 1 1 A 20 20 LYS CB C 20 33.856 34.182 -0.326 2
1 142 . 1 1 A 20 20 LYS C C 20 174.525 176.279 -1.754 2
1 147 . 1 1 A 21 21 GLY N N 21 108.257 107.253 1.004 2
1 148 . 1 1 A 21 21 GLY H H 21 7.930 7.747 0.183 2
1 149 . 1 1 A 21 21 GLY CA C 21 44.040 44.494 -0.454 2
1 150 . 1 1 A 21 21 GLY HA3 H 21 4.917 3.993 0.924 2
1 151 . 1 1 A 21 21 GLY C C 21 172.346 172.328 0.018 2
1 152 . 1 1 A 21 21 GLY HA2 H 21 3.302 3.889 -0.587 2
1 153 . 1 1 A 22 22 PHE N N 22 117.898 121.220 -3.322 2
1 154 . 1 1 A 22 22 PHE H H 22 8.698 9.075 -0.377 2
1 155 . 1 1 A 22 22 PHE CA C 22 57.478 56.372 1.106 2
1 156 . 1 1 A 22 22 PHE HA H 22 4.736 5.145 -0.409 2
1 157 . 1 1 A 22 22 PHE CB C 22 43.762 43.750 0.012 2
1 169 . 1 1 A 22 22 PHE C C 22 175.511 175.449 0.062 2
1 171 . 1 1 A 23 23 ILE N N 23 117.272 120.013 -2.741 2
1 172 . 1 1 A 23 23 ILE H H 23 9.358 8.781 0.577 2
1 173 . 1 1 A 23 23 ILE CA C 23 62.295 62.357 -0.062 2
1 174 . 1 1 A 23 23 ILE HA H 23 4.392 4.285 0.107 2
1 175 . 1 1 A 23 23 ILE CB C 23 39.428 38.432 0.996 2
1 187 . 1 1 A 23 23 ILE C C 23 175.245 176.155 -0.910 2
1 189 . 1 1 A 24 24 CYS N N 24 112.667 119.959 -7.292 2
1 190 . 1 1 A 24 24 CYS H H 24 7.593 7.870 -0.277 2
1 191 . 1 1 A 24 24 CYS CA C 24 55.415 58.265 -2.850 2
1 192 . 1 1 A 24 24 CYS HA H 24 4.902 4.732 0.170 2
1 193 . 1 1 A 24 24 CYS CB C 24 30.722 29.916 0.805 2
1 195 . 1 1 A 24 24 CYS C C 24 173.592 174.689 -1.097 2
1 197 . 1 1 A 25 25 ARG N N 25 124.960 124.696 0.264 2
1 198 . 1 1 A 25 25 ARG H H 25 8.413 8.736 -0.323 2
1 199 . 1 1 A 25 25 ARG CA C 25 59.380 59.187 0.193 2
1 200 . 1 1 A 25 25 ARG HA H 25 3.000 3.473 -0.473 2
1 201 . 1 1 A 25 25 ARG CB C 25 29.593 30.018 -0.425 2
1 207 . 1 1 A 25 25 ARG C C 25 177.723 178.270 -0.547 2
1 211 . 1 1 A 26 26 ARG N N 26 119.340 119.314 0.026 2
1 212 . 1 1 A 26 26 ARG H H 26 8.556 7.913 0.643 2
1 213 . 1 1 A 26 26 ARG CA C 26 59.426 59.264 0.162 2
1 214 . 1 1 A 26 26 ARG HA H 26 3.916 4.033 -0.117 2
1 215 . 1 1 A 26 26 ARG CB C 26 29.598 30.023 -0.425 2
1 221 . 1 1 A 26 26 ARG C C 26 178.094 178.219 -0.125 2
1 225 . 1 1 A 27 27 ASP N N 27 119.260 119.656 -0.397 2
1 226 . 1 1 A 27 27 ASP H H 27 7.230 8.091 -0.861 2
1 227 . 1 1 A 27 27 ASP CA C 27 56.644 57.242 -0.598 2
1 228 . 1 1 A 27 27 ASP HA H 27 4.313 4.307 0.006 2
1 229 . 1 1 A 27 27 ASP CB C 27 40.265 41.012 -0.747 2
1 231 . 1 1 A 27 27 ASP C C 27 178.277 178.002 0.275 2
1 233 . 1 1 A 28 28 LEU N N 28 122.446 120.598 1.848 2
1 234 . 1 1 A 28 28 LEU H H 28 6.896 7.713 -0.817 2
1 235 . 1 1 A 28 28 LEU CA C 28 57.691 57.881 -0.190 2
1 236 . 1 1 A 28 28 LEU HA H 28 3.060 3.070 -0.010 2
1 237 . 1 1 A 28 28 LEU CB C 28 40.529 41.526 -0.997 2
1 249 . 1 1 A 28 28 LEU C C 28 176.873 177.800 -0.927 2
1 251 . 1 1 A 29 29 TYR N N 29 118.891 118.184 0.707 2
1 252 . 1 1 A 29 29 TYR H H 29 8.132 8.057 0.075 2
1 253 . 1 1 A 29 29 TYR CA C 29 59.994 60.411 -0.417 2
1 254 . 1 1 A 29 29 TYR HA H 29 4.244 4.236 0.008 2
1 255 . 1 1 A 29 29 TYR CB C 29 36.781 38.226 -1.445 2
1 265 . 1 1 A 29 29 TYR C C 29 179.157 178.324 0.833 2
1 267 . 1 1 A 30 30 THR N N 30 115.895 115.605 0.290 2
1 268 . 1 1 A 30 30 THR H H 30 8.209 8.246 -0.037 2
1 269 . 1 1 A 30 30 THR CA C 30 66.204 66.877 -0.674 2
1 270 . 1 1 A 30 30 THR HA H 30 3.916 3.939 -0.023 2
1 271 . 1 1 A 30 30 THR CB C 30 68.718 68.592 0.126 2
1 277 . 1 1 A 30 30 THR C C 30 176.781 176.363 0.418 2
1 278 . 1 1 A 31 31 HIS N N 31 122.097 121.112 0.985 2
1 279 . 1 1 A 31 31 HIS H H 31 7.587 8.076 -0.489 2
1 280 . 1 1 A 31 31 HIS CA C 31 59.221 59.527 -0.306 2
1 281 . 1 1 A 31 31 HIS HA H 31 4.204 4.233 -0.029 2
1 282 . 1 1 A 31 31 HIS CB C 31 28.238 29.709 -1.472 2
1 288 . 1 1 A 31 31 HIS C C 31 176.085 177.174 -1.089 2
1 290 . 1 1 A 32 32 HIS N N 32 117.054 119.157 -2.103 2
1 291 . 1 1 A 32 32 HIS H H 32 8.430 8.027 0.403 2
1 292 . 1 1 A 32 32 HIS CA C 32 59.270 59.625 -0.355 2
1 293 . 1 1 A 32 32 HIS HA H 32 4.057 3.947 0.110 2
1 294 . 1 1 A 32 32 HIS CB C 32 30.135 30.053 0.082 2
1 300 . 1 1 A 32 32 HIS C C 32 176.903 177.060 -0.157 2
1 302 . 1 1 A 33 33 MET N N 33 115.224 117.975 -2.751 2
1 303 . 1 1 A 33 33 MET H H 33 7.167 8.008 -0.840 2
1 304 . 1 1 A 33 33 MET CA C 33 57.787 58.530 -0.743 2
1 305 . 1 1 A 33 33 MET HA H 33 4.232 3.986 0.246 2
1 306 . 1 1 A 33 33 MET CB C 33 32.279 32.412 -0.133 2
1 314 . 1 1 A 33 33 MET C C 33 178.493 178.154 0.339 2
1 317 . 1 1 A 34 34 VAL N N 34 117.328 116.492 0.836 2
1 318 . 1 1 A 34 34 VAL H H 34 8.026 7.913 0.113 2
1 319 . 1 1 A 34 34 VAL CA C 34 64.228 65.282 -1.054 2
1 320 . 1 1 A 34 34 VAL HA H 34 3.882 3.772 0.110 2
1 321 . 1 1 A 34 34 VAL CB C 34 31.061 31.214 -0.153 2
1 331 . 1 1 A 34 34 VAL C C 34 177.569 177.248 0.321 2
1 332 . 1 1 A 35 35 HIS N N 35 117.001 119.960 -2.959 2
1 333 . 1 1 A 35 35 HIS H H 35 7.262 7.684 -0.422 2
1 334 . 1 1 A 35 35 HIS CA C 35 55.398 58.278 -2.880 2
1 335 . 1 1 A 35 35 HIS HA H 35 4.799 4.355 0.444 2
1 336 . 1 1 A 35 35 HIS CB C 35 28.605 30.417 -1.812 2
1 342 . 1 1 A 35 35 HIS C C 35 175.891 176.368 -0.477 2
1 344 . 1 1 A 36 36 THR N N 36 110.979 110.651 0.328 2
1 345 . 1 1 A 36 36 THR H H 36 7.665 7.673 -0.008 2
1 346 . 1 1 A 36 36 THR CA C 36 62.565 62.597 -0.032 2
1 347 . 1 1 A 36 36 THR HA H 36 4.329 4.238 0.091 2
1 348 . 1 1 A 36 36 THR CB C 36 69.832 69.332 0.500 2
1 354 . 1 1 A 36 36 THR C C 36 175.484 175.186 0.298 2
1 355 . 1 1 A 37 37 GLY N N 37 110.523 110.184 0.339 2
1 356 . 1 1 A 37 37 GLY H H 37 8.180 7.834 0.346 2
1 357 . 1 1 A 37 37 GLY CA C 37 45.329 45.620 -0.291 2
1 358 . 1 1 A 37 37 GLY HA3 H 37 4.019 3.977 0.042 2
1 359 . 1 1 A 37 37 GLY C C 37 174.008 173.453 0.555 2
1 360 . 1 1 A 37 37 GLY HA2 H 37 3.962 3.969 -0.007 2
1 361 . 1 1 A 38 38 GLU N N 38 120.488 120.844 -0.356 2
1 362 . 1 1 A 38 38 GLU H H 38 8.069 8.288 -0.219 2
1 363 . 1 1 A 38 38 GLU CA C 38 56.503 55.740 0.763 2
1 364 . 1 1 A 38 38 GLU HA H 38 4.246 4.561 -0.315 2
1 365 . 1 1 A 38 38 GLU CB C 38 30.654 31.231 -0.577 2
1 371 . 1 1 A 39 39 LYS N N 39 123.332 122.154 1.178 2
1 372 . 1 1 A 39 39 LYS H H 39 8.335 8.330 0.005 2
1 373 . 1 1 A 39 39 LYS CA C 39 53.992 54.019 -0.027 2
1 374 . 1 1 A 39 39 LYS HA H 39 4.632 4.688 -0.056 2
1 375 . 1 1 A 39 39 LYS CB C 39 32.631 33.392 -0.761 2
1 387 . 1 1 A 40 40 PRO CA C 40 63.250 63.023 0.227 2
1 388 . 1 1 A 40 40 PRO HA H 40 4.474 4.595 -0.121 2
1 389 . 1 1 A 40 40 PRO CB C 40 32.174 31.643 0.531 2
1 398 . 1 1 A 42 42 GLY CA C 42 44.688 45.392 -0.704 2
1 399 . 1 1 A 42 42 GLY HA3 H 42 4.109 4.096 0.013 2
1 400 . 1 1 A 42 42 GLY HA2 H 42 4.169 4.095 0.074 2
1 401 . 1 1 A 43 43 PRO CA C 43 63.207 63.402 -0.195 2
1 402 . 1 1 A 43 43 PRO HA H 43 4.465 4.540 -0.075 2
1 403 . 1 1 A 43 43 PRO CB C 43 32.213 31.628 0.585 2
1 412 . 1 1 A 45 45 SER CA C 45 58.377 58.488 -0.111 2
1 413 . 1 1 A 45 45 SER HA H 45 4.447 4.640 -0.193 2
1 414 . 1 1 A 45 45 SER CB C 45 64.066 63.756 0.310 2
1 415 . 1 1 A 45 45 SER C C 45 173.889 174.348 -0.459 2
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