data_15358_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15358
_Entry.PDB_ID 2JSA
_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 15
_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 12 12 SER H H 12 8.509 8.299 0.210 1
1 2 . 1 1 1 A 12 12 SER HA H 12 4.430 4.030 0.400 1
1 4 . 1 1 1 A 12 12 SER N N 12 118.485 116.609 1.876 1
1 5 . 1 1 1 A 13 13 GLY H H 13 8.404 7.869 0.535 1
1 7 . 1 1 1 A 13 13 GLY N N 13 111.084 119.072 -7.988 1
1 8 . 1 1 1 A 14 14 ILE H H 14 8.006 8.245 -0.239 1
1 9 . 1 1 1 A 14 14 ILE HA H 14 4.086 4.014 0.072 1
1 14 . 1 1 1 A 14 14 ILE N N 14 119.966 122.259 -2.293 1
1 15 . 1 1 1 A 15 15 GLU H H 15 8.528 7.671 0.857 1
1 16 . 1 1 1 A 15 15 GLU HA H 15 4.197 4.178 0.019 1
1 19 . 1 1 1 A 15 15 GLU N N 15 124.654 119.120 5.534 1
1 20 . 1 1 1 A 16 16 GLY H H 16 8.343 8.673 -0.330 1
1 22 . 1 1 1 A 16 16 GLY N N 16 110.097 122.031 -11.934 1
1 23 . 1 1 1 A 17 17 ARG H H 17 8.143 9.199 -1.056 1
1 24 . 1 1 1 A 17 17 ARG HA H 17 4.319 3.902 0.417 1
1 28 . 1 1 1 A 17 17 ARG N N 17 120.459 118.040 2.419 1
1 29 . 1 1 1 A 18 18 GLY H H 18 8.477 7.930 0.547 1
1 30 . 1 1 1 A 18 18 GLY HA2 H 18 3.894 4.068 -0.174 1
1 31 . 1 1 1 A 18 18 GLY N N 18 110.097 107.443 2.654 1
1 32 . 1 1 1 A 19 19 ARG H H 19 8.105 8.765 -0.660 1
1 33 . 1 1 1 A 19 19 ARG HA H 19 4.283 4.672 -0.389 1
1 38 . 1 1 1 A 19 19 ARG CA C 19 56.218 59.594 -3.376 1
1 39 . 1 1 1 A 19 19 ARG CB C 19 30.987 64.041 -33.054 1
1 42 . 1 1 1 A 19 19 ARG N N 19 120.706 117.876 2.830 1
1 43 . 1 1 1 A 20 20 SER H H 20 8.553 7.888 0.665 1
1 44 . 1 1 1 A 20 20 SER HA H 20 4.432 4.360 0.072 1
1 47 . 1 1 1 A 20 20 SER CA C 20 58.189 53.262 4.927 1
1 48 . 1 1 1 A 20 20 SER CB C 20 63.967 20.739 43.228 1
1 49 . 1 1 1 A 20 20 SER N N 20 117.992 120.641 -2.649 1
1 50 . 1 1 1 A 21 21 ALA H H 21 8.233 7.885 0.348 1
1 51 . 1 1 1 A 21 21 ALA HA H 21 4.167 4.723 -0.556 1
1 55 . 1 1 1 A 21 21 ALA CA C 21 53.662 53.932 -0.270 1
1 56 . 1 1 1 A 21 21 ALA CB C 21 18.745 42.468 -23.723 1
1 57 . 1 1 1 A 21 21 ALA N N 21 126.792 116.290 10.502 1
1 58 . 1 1 1 A 22 22 LEU H H 22 8.402 7.602 0.800 1
1 59 . 1 1 1 A 22 22 LEU HA H 22 4.036 4.038 -0.002 1
1 66 . 1 1 1 A 22 22 LEU CA C 22 55.382 57.245 -1.863 1
1 67 . 1 1 1 A 22 22 LEU CB C 22 42.077 29.041 13.036 1
1 70 . 1 1 1 A 22 22 LEU N N 22 121.062 116.470 4.592 1
1 71 . 1 1 1 A 23 23 SER H H 23 8.155 8.248 -0.093 1
1 72 . 1 1 1 A 23 23 SER HA H 23 3.913 4.732 -0.819 1
1 75 . 1 1 1 A 23 23 SER CA C 23 63.166 54.175 8.991 1
1 76 . 1 1 1 A 23 23 SER CB C 23 62.894 41.002 21.892 1
1 77 . 1 1 1 A 23 23 SER N N 23 114.448 119.907 -5.459 1
1 78 . 1 1 1 A 24 24 CYS H H 24 7.630 8.934 -1.304 1
1 79 . 1 1 1 A 24 24 CYS HA H 24 4.389 3.891 0.498 1
1 82 . 1 1 1 A 24 24 CYS CB C 24 37.631 18.439 19.192 1
1 83 . 1 1 1 A 24 24 CYS N N 24 120.980 127.358 -6.378 1
1 84 . 1 1 1 A 25 25 GLN H H 25 8.056 7.872 0.184 1
1 85 . 1 1 1 A 25 25 GLN HA H 25 4.031 4.569 -0.538 1
1 91 . 1 1 1 A 25 25 GLN CA C 25 59.555 55.369 4.186 1
1 92 . 1 1 1 A 25 25 GLN CB C 25 30.148 39.056 -8.908 1
1 94 . 1 1 1 A 25 25 GLN N N 25 118.033 116.839 1.194 1
1 96 . 1 1 1 A 26 26 MET H H 26 8.246 7.832 0.414 1
1 97 . 1 1 1 A 26 26 MET HA H 26 3.889 3.891 -0.002 1
1 105 . 1 1 1 A 26 26 MET CA C 26 61.790 65.162 -3.372 1
1 106 . 1 1 1 A 26 26 MET CB C 26 35.426 31.287 4.139 1
1 109 . 1 1 1 A 26 26 MET N N 26 118.732 118.277 0.455 1
1 110 . 1 1 1 A 27 27 CYS H H 27 8.415 7.543 0.872 1
1 111 . 1 1 1 A 27 27 CYS HA H 27 4.100 3.948 0.152 1
1 114 . 1 1 1 A 27 27 CYS CA C 27 61.807 64.115 -2.308 1
1 115 . 1 1 1 A 27 27 CYS CB C 27 42.874 38.094 4.780 1
1 116 . 1 1 1 A 27 27 CYS N N 27 121.237 121.521 -0.284 1
1 117 . 1 1 1 A 28 28 GLU H H 28 8.581 7.859 0.722 1
1 118 . 1 1 1 A 28 28 GLU HA H 28 3.974 4.030 -0.056 1
1 123 . 1 1 1 A 28 28 GLU CA C 28 59.558 58.848 0.710 1
1 125 . 1 1 1 A 28 28 GLU N N 28 118.019 120.582 -2.563 1
1 126 . 1 1 1 A 29 29 LEU H H 29 7.881 7.541 0.340 1
1 127 . 1 1 1 A 29 29 LEU HA H 29 4.346 4.122 0.224 1
1 137 . 1 1 1 A 29 29 LEU CA C 29 57.877 59.579 -1.702 1
1 138 . 1 1 1 A 29 29 LEU CB C 29 42.067 32.249 9.818 1
1 142 . 1 1 1 A 29 29 LEU N N 29 122.680 119.381 3.299 1
1 143 . 1 1 1 A 30 30 VAL H H 30 8.251 7.954 0.297 1
1 144 . 1 1 1 A 30 30 VAL HA H 30 3.315 4.259 -0.944 1
1 152 . 1 1 1 A 30 30 VAL CA C 30 64.085 57.416 6.669 1
1 153 . 1 1 1 A 30 30 VAL CB C 30 32.374 40.757 -8.383 1
1 156 . 1 1 1 A 30 30 VAL N N 30 120.953 119.557 1.396 1
1 157 . 1 1 1 A 31 31 VAL H H 31 8.071 7.871 0.200 1
1 158 . 1 1 1 A 31 31 VAL HA H 31 3.340 4.082 -0.742 1
1 166 . 1 1 1 A 31 31 VAL CA C 31 67.602 62.234 5.368 1
1 167 . 1 1 1 A 31 31 VAL CB C 31 31.803 39.824 -8.021 1
1 170 . 1 1 1 A 31 31 VAL N N 31 118.979 121.831 -2.852 1
1 171 . 1 1 1 A 32 32 LYS H H 32 8.088 8.419 -0.331 1
1 172 . 1 1 1 A 32 32 LYS HA H 32 4.096 4.470 -0.374 1
1 178 . 1 1 1 A 32 32 LYS CA C 32 59.838 57.215 2.623 1
1 179 . 1 1 1 A 32 32 LYS CB C 32 32.651 40.738 -8.087 1
1 183 . 1 1 1 A 32 32 LYS N N 32 119.226 118.742 0.484 1
1 184 . 1 1 1 A 33 33 LYS H H 33 8.460 8.220 0.240 1
1 185 . 1 1 1 A 33 33 LYS HA H 33 4.176 4.027 0.149 1
1 194 . 1 1 1 A 33 33 LYS CA C 33 57.066 55.460 1.606 1
1 195 . 1 1 1 A 33 33 LYS CB C 33 31.540 18.540 13.000 1
1 199 . 1 1 1 A 33 33 LYS N N 33 118.868 122.209 -3.341 1
1 200 . 1 1 1 A 34 34 TYR H H 34 8.966 7.722 1.244 1
1 201 . 1 1 1 A 34 34 TYR HA H 34 3.935 3.955 -0.020 1
1 205 . 1 1 1 A 34 34 TYR CA C 34 62.301 59.360 2.941 1
1 206 . 1 1 1 A 34 34 TYR CB C 34 39.007 28.716 10.291 1
1 207 . 1 1 1 A 34 34 TYR N N 34 121.940 115.366 6.574 1
1 208 . 1 1 1 A 35 35 GLU H H 35 8.980 8.282 0.698 1
1 209 . 1 1 1 A 35 35 GLU HA H 35 3.898 3.859 0.039 1
1 214 . 1 1 1 A 35 35 GLU CA C 35 58.979 59.410 -0.431 1
1 215 . 1 1 1 A 35 35 GLU CB C 35 29.876 41.753 -11.877 1
1 217 . 1 1 1 A 35 35 GLU N N 35 118.239 118.776 -0.537 1
1 218 . 1 1 1 A 36 36 GLY H H 36 7.696 7.340 0.356 1
1 221 . 1 1 1 A 36 36 GLY CA C 36 45.055 59.014 -13.959 1
1 222 . 1 1 1 A 36 36 GLY N N 36 103.730 120.138 -16.408 1
1 223 . 1 1 1 A 37 37 SER H H 37 6.977 7.693 -0.716 1
1 224 . 1 1 1 A 37 37 SER HA H 37 4.364 4.099 0.265 1
1 227 . 1 1 1 A 37 37 SER CA C 37 57.087 59.190 -2.103 1
1 228 . 1 1 1 A 37 37 SER CB C 37 63.450 32.278 31.172 1
1 229 . 1 1 1 A 37 37 SER N N 37 115.525 119.543 -4.018 1
1 230 . 1 1 1 A 38 38 ALA H H 38 8.918 8.213 0.705 1
1 231 . 1 1 1 A 38 38 ALA HA H 38 4.153 4.053 0.100 1
1 235 . 1 1 1 A 38 38 ALA CA C 38 54.285 58.379 -4.094 1
1 236 . 1 1 1 A 38 38 ALA CB C 38 18.784 41.221 -22.437 1
1 237 . 1 1 1 A 38 38 ALA N N 38 131.315 120.215 11.100 1
1 238 . 1 1 1 A 39 39 ASP H H 39 7.712 7.722 -0.010 1
1 239 . 1 1 1 A 39 39 ASP HA H 39 4.578 5.005 -0.427 1
1 242 . 1 1 1 A 39 39 ASP CA C 39 52.907 56.351 -3.444 1
1 243 . 1 1 1 A 39 39 ASP CB C 39 41.519 38.031 3.488 1
1 244 . 1 1 1 A 39 39 ASP N N 39 114.785 115.434 -0.649 1
1 245 . 1 1 1 A 40 40 LYS H H 40 8.386 8.270 0.116 1
1 246 . 1 1 1 A 40 40 LYS HA H 40 3.604 4.652 -1.048 1
1 255 . 1 1 1 A 40 40 LYS CA C 40 54.835 58.626 -3.791 1
1 256 . 1 1 1 A 40 40 LYS CB C 40 29.039 30.320 -1.281 1
1 260 . 1 1 1 A 40 40 LYS N N 40 119.226 120.014 -0.788 1
1 261 . 1 1 1 A 41 41 ASP H H 41 7.523 7.454 0.069 1
1 262 . 1 1 1 A 41 41 ASP HA H 41 4.376 4.331 0.045 1
1 265 . 1 1 1 A 41 41 ASP CA C 41 54.330 60.869 -6.539 1
1 266 . 1 1 1 A 41 41 ASP CB C 41 42.108 68.421 -26.313 1
1 267 . 1 1 1 A 41 41 ASP N N 41 119.226 104.901 14.325 1
1 268 . 1 1 1 A 42 42 ALA H H 42 9.017 7.420 1.597 1
1 269 . 1 1 1 A 42 42 ALA HA H 42 3.860 4.456 -0.596 1
1 273 . 1 1 1 A 42 42 ALA CA C 42 55.680 57.210 -1.530 1
1 274 . 1 1 1 A 42 42 ALA CB C 42 19.315 41.115 -21.800 1
1 275 . 1 1 1 A 42 42 ALA N N 42 130.822 122.569 8.253 1
1 277 . 1 1 1 A 43 43 ASN HA H 43 4.386 4.394 -0.008 1
1 280 . 1 1 1 A 43 43 ASN CA C 43 56.511 63.856 -7.345 1
1 281 . 1 1 1 A 43 43 ASN CB C 43 38.255 31.292 6.963 1
1 282 . 1 1 1 A 43 43 ASN N N 43 114.785 140.168 -25.383 1
1 283 . 1 1 1 A 44 44 VAL H H 44 7.510 8.927 -1.417 1
1 284 . 1 1 1 A 44 44 VAL HA H 44 3.601 4.394 -0.793 1
1 292 . 1 1 1 A 44 44 VAL CA C 44 66.228 59.435 6.793 1
1 293 . 1 1 1 A 44 44 VAL CB C 44 33.117 38.501 -5.384 1
1 296 . 1 1 1 A 44 44 VAL N N 44 123.173 123.112 0.061 1
1 297 . 1 1 1 A 45 45 ILE H H 45 8.084 8.129 -0.045 1
1 308 . 1 1 1 A 45 45 ILE CA C 45 65.113 47.504 17.609 1
1 313 . 1 1 1 A 45 45 ILE N N 45 120.213 108.028 12.185 1
1 314 . 1 1 1 A 46 46 LYS H H 46 8.393 8.348 0.045 1
1 315 . 1 1 1 A 46 46 LYS HA H 46 3.809 4.121 -0.312 1
1 320 . 1 1 1 A 46 46 LYS CA C 46 62.030 65.416 -3.386 1
1 321 . 1 1 1 A 46 46 LYS CB C 46 32.915 68.293 -35.378 1
1 324 . 1 1 1 A 46 46 LYS N N 46 118.239 116.222 2.017 1
1 325 . 1 1 1 A 47 47 LYS H H 47 7.469 7.837 -0.368 1
1 326 . 1 1 1 A 47 47 LYS HA H 47 4.128 3.836 0.292 1
1 332 . 1 1 1 A 47 47 LYS CA C 47 59.824 59.601 0.223 1
1 333 . 1 1 1 A 47 47 LYS CB C 47 32.656 28.999 3.657 1
1 337 . 1 1 1 A 47 47 LYS N N 47 119.719 122.281 -2.562 1
1 338 . 1 1 1 A 48 48 ASP H H 48 8.697 8.813 -0.116 1
1 339 . 1 1 1 A 48 48 ASP HA H 48 4.483 4.207 0.276 1
1 342 . 1 1 1 A 48 48 ASP CA C 48 57.054 59.309 -2.255 1
1 343 . 1 1 1 A 48 48 ASP CB C 48 40.422 29.212 11.210 1
1 344 . 1 1 1 A 48 48 ASP N N 48 122.433 117.725 4.708 1
1 345 . 1 1 1 A 49 49 PHE H H 49 9.328 8.447 0.881 1
1 346 . 1 1 1 A 49 49 PHE HA H 49 3.820 4.670 -0.850 1
1 351 . 1 1 1 A 49 49 PHE CA C 49 62.071 60.333 1.738 1
1 352 . 1 1 1 A 49 49 PHE CB C 49 39.041 42.212 -3.171 1
1 353 . 1 1 1 A 49 49 PHE N N 49 120.502 118.147 2.355 1
1 354 . 1 1 1 A 50 50 ASP H H 50 8.603 8.157 0.446 1
1 355 . 1 1 1 A 50 50 ASP HA H 50 3.855 4.775 -0.920 1
1 358 . 1 1 1 A 50 50 ASP CA C 50 57.655 57.092 0.563 1
1 359 . 1 1 1 A 50 50 ASP CB C 50 41.246 40.642 0.604 1
1 360 . 1 1 1 A 50 50 ASP N N 50 120.706 121.451 -0.745 1
1 361 . 1 1 1 A 51 51 ALA H H 51 7.510 7.791 -0.281 1
1 362 . 1 1 1 A 51 51 ALA HA H 51 3.982 4.411 -0.429 1
1 366 . 1 1 1 A 51 51 ALA CA C 51 56.311 57.476 -1.165 1
1 367 . 1 1 1 A 51 51 ALA CB C 51 18.201 30.257 -12.056 1
1 368 . 1 1 1 A 51 51 ALA N N 51 117.499 119.756 -2.257 1
1 369 . 1 1 1 A 52 52 GLU H H 52 7.604 9.031 -1.427 1
1 370 . 1 1 1 A 52 52 GLU HA H 52 3.941 4.376 -0.435 1
1 374 . 1 1 1 A 52 52 GLU CA C 52 59.294 60.415 -1.121 1
1 375 . 1 1 1 A 52 52 GLU CB C 52 29.581 39.550 -9.969 1
1 377 . 1 1 1 A 52 52 GLU N N 52 118.979 120.058 -1.079 1
1 378 . 1 1 1 A 53 53 CYS H H 53 9.106 8.020 1.086 1
1 379 . 1 1 1 A 53 53 CYS HA H 53 3.502 3.567 -0.065 1
1 382 . 1 1 1 A 53 53 CYS CA C 53 60.943 64.682 -3.739 1
1 383 . 1 1 1 A 53 53 CYS CB C 53 37.388 31.432 5.956 1
1 384 . 1 1 1 A 53 53 CYS N N 53 120.292 117.225 3.067 1
1 385 . 1 1 1 A 54 54 LYS H H 54 7.888 7.606 0.282 1
1 386 . 1 1 1 A 54 54 LYS HA H 54 3.634 4.888 -1.254 1
1 394 . 1 1 1 A 54 54 LYS CA C 54 60.379 51.922 8.457 1
1 395 . 1 1 1 A 54 54 LYS CB C 54 32.093 38.953 -6.860 1
1 399 . 1 1 1 A 54 54 LYS N N 54 117.499 120.434 -2.935 1
1 400 . 1 1 1 A 55 55 LYS H H 55 7.300 8.092 -0.792 1
1 401 . 1 1 1 A 55 55 LYS HA H 55 4.028 4.504 -0.476 1
1 408 . 1 1 1 A 55 55 LYS CA C 55 59.571 58.525 1.046 1
1 409 . 1 1 1 A 55 55 LYS CB C 55 32.647 65.503 -32.856 1
1 412 . 1 1 1 A 55 55 LYS N N 55 120.213 116.664 3.549 1
1 413 . 1 1 1 A 56 56 LEU H H 56 8.074 8.013 0.061 1
1 414 . 1 1 1 A 56 56 LEU HA H 56 3.848 4.410 -0.562 1
1 424 . 1 1 1 A 56 56 LEU CA C 56 57.354 55.076 2.278 1
1 425 . 1 1 1 A 56 56 LEU CB C 56 41.816 32.771 9.045 1
1 429 . 1 1 1 A 56 56 LEU N N 56 119.719 117.058 2.661 1
1 430 . 1 1 1 A 57 57 PHE H H 57 8.054 7.625 0.429 1
1 431 . 1 1 1 A 57 57 PHE HA H 57 4.983 3.672 1.311 1
1 436 . 1 1 1 A 57 57 PHE CA C 57 56.470 65.124 -8.654 1
1 437 . 1 1 1 A 57 57 PHE CB C 57 37.916 31.757 6.159 1
1 438 . 1 1 1 A 57 57 PHE N N 57 113.798 118.191 -4.393 1
1 439 . 1 1 1 A 58 58 HIS H H 58 7.523 8.235 -0.712 1
1 440 . 1 1 1 A 58 58 HIS HA H 58 4.448 4.334 0.114 1
1 443 . 1 1 1 A 58 58 HIS CA C 58 59.037 59.196 -0.159 1
1 444 . 1 1 1 A 58 58 HIS CB C 58 27.942 38.327 -10.385 1
1 445 . 1 1 1 A 58 58 HIS N N 58 116.758 120.586 -3.828 1
1 447 . 1 1 1 A 59 59 THR HA H 59 4.085 4.559 -0.474 1
1 452 . 1 1 1 A 59 59 THR CA C 59 62.033 66.034 -4.001 1
1 453 . 1 1 1 A 59 59 THR CB C 59 68.425 30.853 37.572 1
1 455 . 1 1 1 A 59 59 THR N N 59 108.123 135.115 -26.992 1
1 456 . 1 1 1 A 60 60 ILE H H 60 7.540 7.609 -0.069 1
1 457 . 1 1 1 A 60 60 ILE HA H 60 4.444 3.634 0.810 1
1 467 . 1 1 1 A 60 60 ILE CA C 60 58.167 64.722 -6.555 1
1 468 . 1 1 1 A 60 60 ILE CB C 60 38.745 37.899 0.846 1
1 472 . 1 1 1 A 60 60 ILE N N 60 124.900 116.523 8.377 1
1 473 . 1 1 1 A 61 61 PRO HA H 61 4.105 4.000 0.105 1
1 480 . 1 1 1 A 61 61 PRO CA C 61 64.800 64.015 0.785 1
1 481 . 1 1 1 A 61 61 PRO CB C 61 31.271 37.116 -5.845 1
1 484 . 1 1 1 A 62 62 PHE HA H 62 4.560 4.395 0.165 1
1 487 . 1 1 1 A 62 62 PHE CA C 62 58.476 59.111 -0.635 1
1 488 . 1 1 1 A 62 62 PHE CB C 62 37.121 29.265 7.856 1
1 489 . 1 1 1 A 63 63 GLY H H 63 8.543 7.544 0.999 1
1 492 . 1 1 1 A 63 63 GLY CA C 63 47.897 59.005 -11.108 1
1 493 . 1 1 1 A 63 63 GLY N N 63 110.590 120.563 -9.973 1
1 494 . 1 1 1 A 64 64 THR H H 64 8.513 7.897 0.616 1
1 495 . 1 1 1 A 64 64 THR HA H 64 4.206 4.116 0.090 1
1 500 . 1 1 1 A 64 64 THR CA C 64 67.646 57.278 10.368 1
1 501 . 1 1 1 A 64 64 THR CB C 64 67.349 40.963 26.386 1
1 503 . 1 1 1 A 64 64 THR N N 64 114.538 119.969 -5.431 1
1 504 . 1 1 1 A 65 65 ARG H H 65 7.519 7.992 -0.473 1
1 505 . 1 1 1 A 65 65 ARG HA H 65 4.177 4.229 -0.052 1
1 512 . 1 1 1 A 65 65 ARG CA C 65 55.799 59.313 -3.514 1
1 513 . 1 1 1 A 65 65 ARG CB C 65 30.146 29.300 0.846 1
1 516 . 1 1 1 A 65 65 ARG N N 65 121.940 119.850 2.090 1
1 517 . 1 1 1 A 66 66 GLU H H 66 8.453 8.291 0.162 1
1 523 . 1 1 1 A 66 66 GLU CA C 66 58.981 45.971 13.010 1
1 526 . 1 1 1 A 66 66 GLU N N 66 120.459 107.176 13.283 1
1 527 . 1 1 1 A 67 67 CYS H H 67 8.467 7.905 0.562 1
1 531 . 1 1 1 A 67 67 CYS CA C 67 59.277 45.053 14.224 1
1 533 . 1 1 1 A 67 67 CYS N N 67 121.446 107.117 14.329 1
1 534 . 1 1 1 A 68 68 ASP H H 68 8.002 7.625 0.377 1
1 535 . 1 1 1 A 68 68 ASP HA H 68 4.514 4.583 -0.069 1
1 538 . 1 1 1 A 68 68 ASP CA C 68 57.902 61.242 -3.340 1
1 539 . 1 1 1 A 68 68 ASP CB C 68 40.393 70.920 -30.527 1
1 540 . 1 1 1 A 68 68 ASP N N 68 120.459 115.197 5.262 1
1 541 . 1 1 1 A 69 69 HIS H H 69 8.564 8.617 -0.053 1
1 542 . 1 1 1 A 69 69 HIS HA H 69 4.510 4.592 -0.082 1
1 545 . 1 1 1 A 69 69 HIS CA C 69 58.127 50.466 7.661 1
1 546 . 1 1 1 A 69 69 HIS CB C 69 28.480 18.804 9.676 1
1 547 . 1 1 1 A 69 69 HIS N N 69 119.246 126.492 -7.246 1
1 549 . 1 1 1 A 70 70 TYR HA H 70 3.706 4.566 -0.860 1
1 553 . 1 1 1 A 70 70 TYR CA C 70 63.989 64.027 -0.038 1
1 554 . 1 1 1 A 70 70 TYR CB C 70 40.145 31.712 8.433 1
1 555 . 1 1 1 A 70 70 TYR N N 70 125.887 134.701 -8.814 1
1 556 . 1 1 1 A 71 71 VAL H H 71 8.295 8.199 0.096 1
1 557 . 1 1 1 A 71 71 VAL HA H 71 3.554 4.447 -0.893 1
1 565 . 1 1 1 A 71 71 VAL CA C 71 67.021 56.488 10.533 1
1 566 . 1 1 1 A 71 71 VAL CB C 71 32.084 32.861 -0.777 1
1 569 . 1 1 1 A 71 71 VAL N N 71 118.239 117.367 0.872 1
1 570 . 1 1 1 A 72 72 ASN H H 72 7.511 7.822 -0.311 1
1 571 . 1 1 1 A 72 72 ASN HA H 72 4.558 4.707 -0.149 1
1 574 . 1 1 1 A 72 72 ASN CA C 72 55.116 54.834 0.282 1
1 575 . 1 1 1 A 72 72 ASN CB C 72 39.569 41.922 -2.353 1
1 576 . 1 1 1 A 72 72 ASN N N 72 116.018 117.421 -1.403 1
1 577 . 1 1 1 A 73 73 SER H H 73 7.709 7.563 0.146 1
1 578 . 1 1 1 A 73 73 SER HA H 73 4.633 3.445 1.188 1
1 581 . 1 1 1 A 73 73 SER CA C 73 59.832 66.598 -6.766 1
1 582 . 1 1 1 A 73 73 SER CB C 73 65.899 31.685 34.214 1
1 583 . 1 1 1 A 73 73 SER N N 73 110.837 119.166 -8.329 1
1 584 . 1 1 1 A 74 74 LYS H H 74 7.942 7.845 0.097 1
1 585 . 1 1 1 A 74 74 LYS HA H 74 4.280 4.616 -0.336 1
1 593 . 1 1 1 A 74 74 LYS CA C 74 55.124 55.983 -0.859 1
1 594 . 1 1 1 A 74 74 LYS CB C 74 33.198 40.981 -7.783 1
1 598 . 1 1 1 A 74 74 LYS N N 74 120.706 117.442 3.264 1
1 599 . 1 1 1 A 75 75 VAL H H 75 7.227 8.940 -1.713 1
1 600 . 1 1 1 A 75 75 VAL HA H 75 3.315 4.521 -1.206 1
1 608 . 1 1 1 A 75 75 VAL CA C 75 67.599 63.753 3.846 1
1 609 . 1 1 1 A 75 75 VAL CB C 75 31.540 70.672 -39.132 1
1 612 . 1 1 1 A 75 75 VAL N N 75 120.147 117.266 2.881 1
1 613 . 1 1 1 A 76 76 ASP H H 76 8.851 8.247 0.604 1
1 614 . 1 1 1 A 76 76 ASP HA H 76 4.402 4.169 0.233 1
1 617 . 1 1 1 A 76 76 ASP CA C 76 59.568 59.056 0.512 1
1 618 . 1 1 1 A 76 76 ASP CB C 76 37.667 32.235 5.432 1
1 619 . 1 1 1 A 76 76 ASP N N 76 117.992 120.701 -2.709 1
1 620 . 1 1 1 A 77 77 PRO HA H 77 4.158 4.369 -0.211 1
1 626 . 1 1 1 A 77 77 PRO CA C 77 66.237 54.905 11.332 1
1 627 . 1 1 1 A 77 77 PRO CB C 77 31.347 41.840 -10.493 1
1 630 . 1 1 1 A 78 78 ILE H H 78 7.243 7.873 -0.630 1
1 631 . 1 1 1 A 78 78 ILE HA H 78 3.315 4.444 -1.129 1
1 641 . 1 1 1 A 78 78 ILE CA C 78 65.957 54.447 11.510 1
1 642 . 1 1 1 A 78 78 ILE CB C 78 38.787 36.459 2.328 1
1 646 . 1 1 1 A 78 78 ILE N N 78 119.472 115.055 4.417 1
1 647 . 1 1 1 A 79 79 ILE H H 79 8.180 8.296 -0.116 1
1 648 . 1 1 1 A 79 79 ILE HA H 79 3.218 4.212 -0.994 1
1 658 . 1 1 1 A 79 79 ILE CA C 79 65.939 59.019 6.920 1
1 659 . 1 1 1 A 79 79 ILE CB C 79 37.344 29.735 7.609 1
1 663 . 1 1 1 A 79 79 ILE N N 79 119.472 115.669 3.803 1
1 664 . 1 1 1 A 80 80 HIS H H 80 8.671 8.136 0.535 1
1 665 . 1 1 1 A 80 80 HIS HA H 80 4.351 4.259 0.092 1
1 670 . 1 1 1 A 80 80 HIS CA C 80 58.731 60.895 -2.164 1
1 671 . 1 1 1 A 80 80 HIS CB C 80 27.913 40.406 -12.493 1
1 672 . 1 1 1 A 80 80 HIS N N 80 117.252 118.791 -1.539 1
1 1 . 2 1 1 A 12 12 SER H H 12 8.509 8.432 0.077 1
1 2 . 2 1 1 A 12 12 SER HA H 12 4.430 4.087 0.343 1
1 4 . 2 1 1 A 12 12 SER N N 12 118.485 117.290 1.195 1
1 5 . 2 1 1 A 13 13 GLY H H 13 8.404 7.893 0.511 1
1 7 . 2 1 1 A 13 13 GLY N N 13 111.084 118.967 -7.883 1
1 8 . 2 1 1 A 14 14 ILE H H 14 8.006 8.284 -0.278 1
1 9 . 2 1 1 A 14 14 ILE HA H 14 4.086 3.999 0.087 1
1 14 . 2 1 1 A 14 14 ILE N N 14 119.966 122.282 -2.316 1
1 15 . 2 1 1 A 15 15 GLU H H 15 8.528 7.909 0.619 1
1 16 . 2 1 1 A 15 15 GLU HA H 15 4.197 4.213 -0.016 1
1 19 . 2 1 1 A 15 15 GLU N N 15 124.654 119.155 5.499 1
1 20 . 2 1 1 A 16 16 GLY H H 16 8.343 8.711 -0.368 1
1 22 . 2 1 1 A 16 16 GLY N N 16 110.097 121.968 -11.871 1
1 23 . 2 1 1 A 17 17 ARG H H 17 8.143 8.996 -0.853 1
1 24 . 2 1 1 A 17 17 ARG HA H 17 4.319 3.926 0.393 1
1 28 . 2 1 1 A 17 17 ARG N N 17 120.459 118.416 2.043 1
1 29 . 2 1 1 A 18 18 GLY H H 18 8.477 8.086 0.391 1
1 30 . 2 1 1 A 18 18 GLY HA2 H 18 3.894 4.172 -0.278 1
1 31 . 2 1 1 A 18 18 GLY N N 18 110.097 107.739 2.358 1
1 32 . 2 1 1 A 19 19 ARG H H 19 8.105 7.850 0.255 1
1 33 . 2 1 1 A 19 19 ARG HA H 19 4.283 4.556 -0.273 1
1 38 . 2 1 1 A 19 19 ARG CA C 19 56.218 61.058 -4.840 1
1 39 . 2 1 1 A 19 19 ARG CB C 19 30.987 64.686 -33.699 1
1 42 . 2 1 1 A 19 19 ARG N N 19 120.706 114.844 5.862 1
1 43 . 2 1 1 A 20 20 SER H H 20 8.553 8.003 0.550 1
1 44 . 2 1 1 A 20 20 SER HA H 20 4.432 4.254 0.178 1
1 47 . 2 1 1 A 20 20 SER CA C 20 58.189 54.471 3.718 1
1 48 . 2 1 1 A 20 20 SER CB C 20 63.967 18.002 45.965 1
1 49 . 2 1 1 A 20 20 SER N N 20 117.992 121.838 -3.846 1
1 50 . 2 1 1 A 21 21 ALA H H 21 8.233 8.093 0.140 1
1 51 . 2 1 1 A 21 21 ALA HA H 21 4.167 4.751 -0.584 1
1 55 . 2 1 1 A 21 21 ALA CA C 21 53.662 53.847 -0.185 1
1 56 . 2 1 1 A 21 21 ALA CB C 21 18.745 41.559 -22.814 1
1 57 . 2 1 1 A 21 21 ALA N N 21 126.792 116.614 10.178 1
1 58 . 2 1 1 A 22 22 LEU H H 22 8.402 7.888 0.514 1
1 59 . 2 1 1 A 22 22 LEU HA H 22 4.036 3.986 0.050 1
1 66 . 2 1 1 A 22 22 LEU CA C 22 55.382 57.423 -2.041 1
1 67 . 2 1 1 A 22 22 LEU CB C 22 42.077 29.531 12.546 1
1 70 . 2 1 1 A 22 22 LEU N N 22 121.062 117.013 4.049 1
1 71 . 2 1 1 A 23 23 SER H H 23 8.155 8.093 0.062 1
1 72 . 2 1 1 A 23 23 SER HA H 23 3.913 5.021 -1.108 1
1 75 . 2 1 1 A 23 23 SER CA C 23 63.166 52.738 10.428 1
1 76 . 2 1 1 A 23 23 SER CB C 23 62.894 42.882 20.012 1
1 77 . 2 1 1 A 23 23 SER N N 23 114.448 118.968 -4.520 1
1 78 . 2 1 1 A 24 24 CYS H H 24 7.630 8.918 -1.288 1
1 79 . 2 1 1 A 24 24 CYS HA H 24 4.389 3.994 0.395 1
1 82 . 2 1 1 A 24 24 CYS CB C 24 37.631 18.438 19.193 1
1 83 . 2 1 1 A 24 24 CYS N N 24 120.980 128.547 -7.567 1
1 84 . 2 1 1 A 25 25 GLN H H 25 8.056 7.756 0.300 1
1 85 . 2 1 1 A 25 25 GLN HA H 25 4.031 4.603 -0.572 1
1 91 . 2 1 1 A 25 25 GLN CA C 25 59.555 55.498 4.057 1
1 92 . 2 1 1 A 25 25 GLN CB C 25 30.148 39.053 -8.905 1
1 94 . 2 1 1 A 25 25 GLN N N 25 118.033 116.204 1.829 1
1 96 . 2 1 1 A 26 26 MET H H 26 8.246 7.810 0.436 1
1 97 . 2 1 1 A 26 26 MET HA H 26 3.889 3.865 0.024 1
1 105 . 2 1 1 A 26 26 MET CA C 26 61.790 65.386 -3.596 1
1 106 . 2 1 1 A 26 26 MET CB C 26 35.426 31.446 3.980 1
1 109 . 2 1 1 A 26 26 MET N N 26 118.732 119.158 -0.426 1
1 110 . 2 1 1 A 27 27 CYS H H 27 8.415 7.554 0.861 1
1 111 . 2 1 1 A 27 27 CYS HA H 27 4.100 3.894 0.206 1
1 114 . 2 1 1 A 27 27 CYS CA C 27 61.807 64.333 -2.526 1
1 115 . 2 1 1 A 27 27 CYS CB C 27 42.874 37.658 5.216 1
1 116 . 2 1 1 A 27 27 CYS N N 27 121.237 121.977 -0.740 1
1 117 . 2 1 1 A 28 28 GLU H H 28 8.581 7.795 0.786 1
1 118 . 2 1 1 A 28 28 GLU HA H 28 3.974 4.103 -0.129 1
1 123 . 2 1 1 A 28 28 GLU CA C 28 59.558 59.195 0.363 1
1 125 . 2 1 1 A 28 28 GLU N N 28 118.019 120.581 -2.562 1
1 126 . 2 1 1 A 29 29 LEU H H 29 7.881 7.495 0.386 1
1 127 . 2 1 1 A 29 29 LEU HA H 29 4.346 4.162 0.184 1
1 137 . 2 1 1 A 29 29 LEU CA C 29 57.877 59.671 -1.794 1
1 138 . 2 1 1 A 29 29 LEU CB C 29 42.067 32.146 9.921 1
1 142 . 2 1 1 A 29 29 LEU N N 29 122.680 119.438 3.242 1
1 143 . 2 1 1 A 30 30 VAL H H 30 8.251 8.036 0.215 1
1 144 . 2 1 1 A 30 30 VAL HA H 30 3.315 4.357 -1.042 1
1 152 . 2 1 1 A 30 30 VAL CA C 30 64.085 57.477 6.608 1
1 153 . 2 1 1 A 30 30 VAL CB C 30 32.374 41.550 -9.176 1
1 156 . 2 1 1 A 30 30 VAL N N 30 120.953 120.064 0.889 1
1 157 . 2 1 1 A 31 31 VAL H H 31 8.071 8.414 -0.343 1
1 158 . 2 1 1 A 31 31 VAL HA H 31 3.340 4.113 -0.773 1
1 166 . 2 1 1 A 31 31 VAL CA C 31 67.602 62.330 5.272 1
1 167 . 2 1 1 A 31 31 VAL CB C 31 31.803 39.045 -7.242 1
1 170 . 2 1 1 A 31 31 VAL N N 31 118.979 121.123 -2.144 1
1 171 . 2 1 1 A 32 32 LYS H H 32 8.088 8.372 -0.284 1
1 172 . 2 1 1 A 32 32 LYS HA H 32 4.096 4.508 -0.412 1
1 178 . 2 1 1 A 32 32 LYS CA C 32 59.838 57.494 2.344 1
1 179 . 2 1 1 A 32 32 LYS CB C 32 32.651 40.710 -8.059 1
1 183 . 2 1 1 A 32 32 LYS N N 32 119.226 118.493 0.733 1
1 184 . 2 1 1 A 33 33 LYS H H 33 8.460 8.628 -0.168 1
1 185 . 2 1 1 A 33 33 LYS HA H 33 4.176 4.000 0.176 1
1 194 . 2 1 1 A 33 33 LYS CA C 33 57.066 55.531 1.535 1
1 195 . 2 1 1 A 33 33 LYS CB C 33 31.540 19.116 12.424 1
1 199 . 2 1 1 A 33 33 LYS N N 33 118.868 122.957 -4.089 1
1 200 . 2 1 1 A 34 34 TYR H H 34 8.966 8.454 0.512 1
1 201 . 2 1 1 A 34 34 TYR HA H 34 3.935 3.917 0.018 1
1 205 . 2 1 1 A 34 34 TYR CA C 34 62.301 59.099 3.202 1
1 206 . 2 1 1 A 34 34 TYR CB C 34 39.007 29.267 9.740 1
1 207 . 2 1 1 A 34 34 TYR N N 34 121.940 117.763 4.177 1
1 208 . 2 1 1 A 35 35 GLU H H 35 8.980 8.099 0.881 1
1 209 . 2 1 1 A 35 35 GLU HA H 35 3.898 4.383 -0.485 1
1 214 . 2 1 1 A 35 35 GLU CA C 35 58.979 59.572 -0.593 1
1 215 . 2 1 1 A 35 35 GLU CB C 35 29.876 41.661 -11.785 1
1 217 . 2 1 1 A 35 35 GLU N N 35 118.239 118.885 -0.646 1
1 218 . 2 1 1 A 36 36 GLY H H 36 7.696 8.221 -0.525 1
1 221 . 2 1 1 A 36 36 GLY CA C 36 45.055 58.700 -13.645 1
1 222 . 2 1 1 A 36 36 GLY N N 36 103.730 119.992 -16.262 1
1 223 . 2 1 1 A 37 37 SER H H 37 6.977 7.611 -0.634 1
1 224 . 2 1 1 A 37 37 SER HA H 37 4.364 4.395 -0.031 1
1 227 . 2 1 1 A 37 37 SER CA C 37 57.087 57.430 -0.343 1
1 228 . 2 1 1 A 37 37 SER CB C 37 63.450 33.453 29.997 1
1 229 . 2 1 1 A 37 37 SER N N 37 115.525 117.602 -2.077 1
1 230 . 2 1 1 A 38 38 ALA H H 38 8.918 9.443 -0.525 1
1 231 . 2 1 1 A 38 38 ALA HA H 38 4.153 3.831 0.322 1
1 235 . 2 1 1 A 38 38 ALA CA C 38 54.285 58.115 -3.830 1
1 236 . 2 1 1 A 38 38 ALA CB C 38 18.784 41.542 -22.758 1
1 237 . 2 1 1 A 38 38 ALA N N 38 131.315 121.078 10.237 1
1 238 . 2 1 1 A 39 39 ASP H H 39 7.712 8.093 -0.381 1
1 239 . 2 1 1 A 39 39 ASP HA H 39 4.578 4.564 0.014 1
1 242 . 2 1 1 A 39 39 ASP CA C 39 52.907 57.806 -4.899 1
1 243 . 2 1 1 A 39 39 ASP CB C 39 41.519 38.181 3.338 1
1 244 . 2 1 1 A 39 39 ASP N N 39 114.785 116.697 -1.912 1
1 245 . 2 1 1 A 40 40 LYS H H 40 8.386 8.170 0.216 1
1 246 . 2 1 1 A 40 40 LYS HA H 40 3.604 4.452 -0.848 1
1 255 . 2 1 1 A 40 40 LYS CA C 40 54.835 57.583 -2.748 1
1 256 . 2 1 1 A 40 40 LYS CB C 40 29.039 29.194 -0.155 1
1 260 . 2 1 1 A 40 40 LYS N N 40 119.226 117.665 1.561 1
1 261 . 2 1 1 A 41 41 ASP H H 41 7.523 7.300 0.223 1
1 262 . 2 1 1 A 41 41 ASP HA H 41 4.376 4.358 0.018 1
1 265 . 2 1 1 A 41 41 ASP CA C 41 54.330 60.310 -5.980 1
1 266 . 2 1 1 A 41 41 ASP CB C 41 42.108 68.454 -26.346 1
1 267 . 2 1 1 A 41 41 ASP N N 41 119.226 106.738 12.488 1
1 268 . 2 1 1 A 42 42 ALA H H 42 9.017 7.913 1.104 1
1 269 . 2 1 1 A 42 42 ALA HA H 42 3.860 4.580 -0.720 1
1 273 . 2 1 1 A 42 42 ALA CA C 42 55.680 57.799 -2.119 1
1 274 . 2 1 1 A 42 42 ALA CB C 42 19.315 41.803 -22.488 1
1 275 . 2 1 1 A 42 42 ALA N N 42 130.822 121.916 8.906 1
1 277 . 2 1 1 A 43 43 ASN HA H 43 4.386 3.879 0.507 1
1 280 . 2 1 1 A 43 43 ASN CA C 43 56.511 63.251 -6.740 1
1 281 . 2 1 1 A 43 43 ASN CB C 43 38.255 30.714 7.541 1
1 282 . 2 1 1 A 43 43 ASN N N 43 114.785 140.019 -25.234 1
1 283 . 2 1 1 A 44 44 VAL H H 44 7.510 8.418 -0.908 1
1 284 . 2 1 1 A 44 44 VAL HA H 44 3.601 4.121 -0.520 1
1 292 . 2 1 1 A 44 44 VAL CA C 44 66.228 59.676 6.552 1
1 293 . 2 1 1 A 44 44 VAL CB C 44 33.117 36.617 -3.500 1
1 296 . 2 1 1 A 44 44 VAL N N 44 123.173 117.169 6.004 1
1 297 . 2 1 1 A 45 45 ILE H H 45 8.084 8.006 0.078 1
1 308 . 2 1 1 A 45 45 ILE CA C 45 65.113 47.130 17.983 1
1 313 . 2 1 1 A 45 45 ILE N N 45 120.213 107.676 12.537 1
1 314 . 2 1 1 A 46 46 LYS H H 46 8.393 8.190 0.203 1
1 315 . 2 1 1 A 46 46 LYS HA H 46 3.809 4.012 -0.203 1
1 320 . 2 1 1 A 46 46 LYS CA C 46 62.030 65.374 -3.344 1
1 321 . 2 1 1 A 46 46 LYS CB C 46 32.915 68.208 -35.293 1
1 324 . 2 1 1 A 46 46 LYS N N 46 118.239 116.033 2.206 1
1 325 . 2 1 1 A 47 47 LYS H H 47 7.469 8.130 -0.661 1
1 326 . 2 1 1 A 47 47 LYS HA H 47 4.128 4.077 0.051 1
1 332 . 2 1 1 A 47 47 LYS CA C 47 59.824 59.609 0.215 1
1 333 . 2 1 1 A 47 47 LYS CB C 47 32.656 30.103 2.553 1
1 337 . 2 1 1 A 47 47 LYS N N 47 119.719 122.921 -3.202 1
1 338 . 2 1 1 A 48 48 ASP H H 48 8.697 8.929 -0.232 1
1 339 . 2 1 1 A 48 48 ASP HA H 48 4.483 3.989 0.494 1
1 342 . 2 1 1 A 48 48 ASP CA C 48 57.054 59.456 -2.402 1
1 343 . 2 1 1 A 48 48 ASP CB C 48 40.422 29.133 11.289 1
1 344 . 2 1 1 A 48 48 ASP N N 48 122.433 118.981 3.452 1
1 345 . 2 1 1 A 49 49 PHE H H 49 9.328 7.851 1.477 1
1 346 . 2 1 1 A 49 49 PHE HA H 49 3.820 4.609 -0.789 1
1 351 . 2 1 1 A 49 49 PHE CA C 49 62.071 58.928 3.143 1
1 352 . 2 1 1 A 49 49 PHE CB C 49 39.041 41.995 -2.954 1
1 353 . 2 1 1 A 49 49 PHE N N 49 120.502 118.060 2.442 1
1 354 . 2 1 1 A 50 50 ASP H H 50 8.603 8.214 0.389 1
1 355 . 2 1 1 A 50 50 ASP HA H 50 3.855 4.549 -0.694 1
1 358 . 2 1 1 A 50 50 ASP CA C 50 57.655 56.288 1.367 1
1 359 . 2 1 1 A 50 50 ASP CB C 50 41.246 40.673 0.573 1
1 360 . 2 1 1 A 50 50 ASP N N 50 120.706 121.860 -1.154 1
1 361 . 2 1 1 A 51 51 ALA H H 51 7.510 7.787 -0.277 1
1 362 . 2 1 1 A 51 51 ALA HA H 51 3.982 4.611 -0.629 1
1 366 . 2 1 1 A 51 51 ALA CA C 51 56.311 55.964 0.347 1
1 367 . 2 1 1 A 51 51 ALA CB C 51 18.201 30.117 -11.916 1
1 368 . 2 1 1 A 51 51 ALA N N 51 117.499 116.283 1.216 1
1 369 . 2 1 1 A 52 52 GLU H H 52 7.604 8.604 -1.000 1
1 370 . 2 1 1 A 52 52 GLU HA H 52 3.941 4.327 -0.386 1
1 374 . 2 1 1 A 52 52 GLU CA C 52 59.294 60.694 -1.400 1
1 375 . 2 1 1 A 52 52 GLU CB C 52 29.581 39.255 -9.674 1
1 377 . 2 1 1 A 52 52 GLU N N 52 118.979 120.650 -1.671 1
1 378 . 2 1 1 A 53 53 CYS H H 53 9.106 8.101 1.005 1
1 379 . 2 1 1 A 53 53 CYS HA H 53 3.502 3.621 -0.119 1
1 382 . 2 1 1 A 53 53 CYS CA C 53 60.943 64.718 -3.775 1
1 383 . 2 1 1 A 53 53 CYS CB C 53 37.388 31.434 5.954 1
1 384 . 2 1 1 A 53 53 CYS N N 53 120.292 117.629 2.663 1
1 385 . 2 1 1 A 54 54 LYS H H 54 7.888 8.014 -0.126 1
1 386 . 2 1 1 A 54 54 LYS HA H 54 3.634 4.827 -1.193 1
1 394 . 2 1 1 A 54 54 LYS CA C 54 60.379 51.822 8.557 1
1 395 . 2 1 1 A 54 54 LYS CB C 54 32.093 38.782 -6.689 1
1 399 . 2 1 1 A 54 54 LYS N N 54 117.499 120.338 -2.839 1
1 400 . 2 1 1 A 55 55 LYS H H 55 7.300 7.864 -0.564 1
1 401 . 2 1 1 A 55 55 LYS HA H 55 4.028 4.588 -0.560 1
1 408 . 2 1 1 A 55 55 LYS CA C 55 59.571 59.003 0.568 1
1 409 . 2 1 1 A 55 55 LYS CB C 55 32.647 65.947 -33.300 1
1 412 . 2 1 1 A 55 55 LYS N N 55 120.213 116.734 3.479 1
1 413 . 2 1 1 A 56 56 LEU H H 56 8.074 8.121 -0.047 1
1 414 . 2 1 1 A 56 56 LEU HA H 56 3.848 4.332 -0.484 1
1 424 . 2 1 1 A 56 56 LEU CA C 56 57.354 55.160 2.194 1
1 425 . 2 1 1 A 56 56 LEU CB C 56 41.816 32.356 9.460 1
1 429 . 2 1 1 A 56 56 LEU N N 56 119.719 116.809 2.910 1
1 430 . 2 1 1 A 57 57 PHE H H 57 8.054 7.494 0.560 1
1 431 . 2 1 1 A 57 57 PHE HA H 57 4.983 3.666 1.317 1
1 436 . 2 1 1 A 57 57 PHE CA C 57 56.470 65.231 -8.761 1
1 437 . 2 1 1 A 57 57 PHE CB C 57 37.916 31.718 6.198 1
1 438 . 2 1 1 A 57 57 PHE N N 57 113.798 118.341 -4.543 1
1 439 . 2 1 1 A 58 58 HIS H H 58 7.523 8.357 -0.834 1
1 440 . 2 1 1 A 58 58 HIS HA H 58 4.448 4.344 0.104 1
1 443 . 2 1 1 A 58 58 HIS CA C 58 59.037 58.997 0.040 1
1 444 . 2 1 1 A 58 58 HIS CB C 58 27.942 38.186 -10.244 1
1 445 . 2 1 1 A 58 58 HIS N N 58 116.758 120.482 -3.724 1
1 447 . 2 1 1 A 59 59 THR HA H 59 4.085 4.115 -0.030 1
1 452 . 2 1 1 A 59 59 THR CA C 59 62.033 65.661 -3.628 1
1 453 . 2 1 1 A 59 59 THR CB C 59 68.425 30.442 37.983 1
1 455 . 2 1 1 A 59 59 THR N N 59 108.123 135.083 -26.960 1
1 456 . 2 1 1 A 60 60 ILE H H 60 7.540 7.190 0.350 1
1 457 . 2 1 1 A 60 60 ILE HA H 60 4.444 3.778 0.666 1
1 467 . 2 1 1 A 60 60 ILE CA C 60 58.167 64.611 -6.444 1
1 468 . 2 1 1 A 60 60 ILE CB C 60 38.745 37.888 0.857 1
1 472 . 2 1 1 A 60 60 ILE N N 60 124.900 116.320 8.580 1
1 473 . 2 1 1 A 61 61 PRO HA H 61 4.105 3.999 0.106 1
1 480 . 2 1 1 A 61 61 PRO CA C 61 64.800 64.562 0.238 1
1 481 . 2 1 1 A 61 61 PRO CB C 61 31.271 37.169 -5.898 1
1 484 . 2 1 1 A 62 62 PHE HA H 62 4.560 4.181 0.379 1
1 487 . 2 1 1 A 62 62 PHE CA C 62 58.476 59.828 -1.352 1
1 488 . 2 1 1 A 62 62 PHE CB C 62 37.121 29.481 7.640 1
1 489 . 2 1 1 A 63 63 GLY H H 63 8.543 8.300 0.243 1
1 492 . 2 1 1 A 63 63 GLY CA C 63 47.897 58.880 -10.983 1
1 493 . 2 1 1 A 63 63 GLY N N 63 110.590 121.106 -10.516 1
1 494 . 2 1 1 A 64 64 THR H H 64 8.513 8.117 0.396 1
1 495 . 2 1 1 A 64 64 THR HA H 64 4.206 3.970 0.236 1
1 500 . 2 1 1 A 64 64 THR CA C 64 67.646 57.937 9.709 1
1 501 . 2 1 1 A 64 64 THR CB C 64 67.349 41.191 26.158 1
1 503 . 2 1 1 A 64 64 THR N N 64 114.538 120.281 -5.743 1
1 504 . 2 1 1 A 65 65 ARG H H 65 7.519 8.714 -1.195 1
1 505 . 2 1 1 A 65 65 ARG HA H 65 4.177 4.149 0.028 1
1 512 . 2 1 1 A 65 65 ARG CA C 65 55.799 59.545 -3.746 1
1 513 . 2 1 1 A 65 65 ARG CB C 65 30.146 29.192 0.954 1
1 516 . 2 1 1 A 65 65 ARG N N 65 121.940 118.129 3.811 1
1 517 . 2 1 1 A 66 66 GLU H H 66 8.453 8.241 0.212 1
1 523 . 2 1 1 A 66 66 GLU CA C 66 58.981 46.821 12.160 1
1 526 . 2 1 1 A 66 66 GLU N N 66 120.459 108.841 11.618 1
1 527 . 2 1 1 A 67 67 CYS H H 67 8.467 7.871 0.596 1
1 531 . 2 1 1 A 67 67 CYS CA C 67 59.277 45.087 14.190 1
1 533 . 2 1 1 A 67 67 CYS N N 67 121.446 106.878 14.568 1
1 534 . 2 1 1 A 68 68 ASP H H 68 8.002 7.231 0.771 1
1 535 . 2 1 1 A 68 68 ASP HA H 68 4.514 4.239 0.275 1
1 538 . 2 1 1 A 68 68 ASP CA C 68 57.902 62.648 -4.746 1
1 539 . 2 1 1 A 68 68 ASP CB C 68 40.393 69.796 -29.403 1
1 540 . 2 1 1 A 68 68 ASP N N 68 120.459 116.450 4.009 1
1 541 . 2 1 1 A 69 69 HIS H H 69 8.564 8.582 -0.018 1
1 542 . 2 1 1 A 69 69 HIS HA H 69 4.510 4.636 -0.126 1
1 545 . 2 1 1 A 69 69 HIS CA C 69 58.127 50.451 7.676 1
1 546 . 2 1 1 A 69 69 HIS CB C 69 28.480 18.878 9.602 1
1 547 . 2 1 1 A 69 69 HIS N N 69 119.246 125.445 -6.199 1
1 549 . 2 1 1 A 70 70 TYR HA H 70 3.706 4.590 -0.884 1
1 553 . 2 1 1 A 70 70 TYR CA C 70 63.989 64.028 -0.039 1
1 554 . 2 1 1 A 70 70 TYR CB C 70 40.145 31.601 8.544 1
1 555 . 2 1 1 A 70 70 TYR N N 70 125.887 134.717 -8.830 1
1 556 . 2 1 1 A 71 71 VAL H H 71 8.295 8.459 -0.164 1
1 557 . 2 1 1 A 71 71 VAL HA H 71 3.554 4.541 -0.987 1
1 565 . 2 1 1 A 71 71 VAL CA C 71 67.021 56.208 10.813 1
1 566 . 2 1 1 A 71 71 VAL CB C 71 32.084 33.107 -1.023 1
1 569 . 2 1 1 A 71 71 VAL N N 71 118.239 115.606 2.633 1
1 570 . 2 1 1 A 72 72 ASN H H 72 7.511 7.997 -0.486 1
1 571 . 2 1 1 A 72 72 ASN HA H 72 4.558 4.897 -0.339 1
1 574 . 2 1 1 A 72 72 ASN CA C 72 55.116 55.103 0.013 1
1 575 . 2 1 1 A 72 72 ASN CB C 72 39.569 42.473 -2.904 1
1 576 . 2 1 1 A 72 72 ASN N N 72 116.018 119.326 -3.308 1
1 577 . 2 1 1 A 73 73 SER H H 73 7.709 7.799 -0.090 1
1 578 . 2 1 1 A 73 73 SER HA H 73 4.633 3.554 1.079 1
1 581 . 2 1 1 A 73 73 SER CA C 73 59.832 66.548 -6.716 1
1 582 . 2 1 1 A 73 73 SER CB C 73 65.899 31.530 34.369 1
1 583 . 2 1 1 A 73 73 SER N N 73 110.837 119.414 -8.577 1
1 584 . 2 1 1 A 74 74 LYS H H 74 7.942 8.501 -0.559 1
1 585 . 2 1 1 A 74 74 LYS HA H 74 4.280 4.355 -0.075 1
1 593 . 2 1 1 A 74 74 LYS CA C 74 55.124 59.887 -4.763 1
1 594 . 2 1 1 A 74 74 LYS CB C 74 33.198 42.283 -9.085 1
1 598 . 2 1 1 A 74 74 LYS N N 74 120.706 118.636 2.070 1
1 599 . 2 1 1 A 75 75 VAL H H 75 7.227 8.187 -0.960 1
1 600 . 2 1 1 A 75 75 VAL HA H 75 3.315 3.918 -0.603 1
1 608 . 2 1 1 A 75 75 VAL CA C 75 67.599 66.632 0.967 1
1 609 . 2 1 1 A 75 75 VAL CB C 75 31.540 68.664 -37.124 1
1 612 . 2 1 1 A 75 75 VAL N N 75 120.147 116.601 3.546 1
1 613 . 2 1 1 A 76 76 ASP H H 76 8.851 8.804 0.047 1
1 614 . 2 1 1 A 76 76 ASP HA H 76 4.402 4.138 0.264 1
1 617 . 2 1 1 A 76 76 ASP CA C 76 59.568 58.958 0.610 1
1 618 . 2 1 1 A 76 76 ASP CB C 76 37.667 31.779 5.888 1
1 619 . 2 1 1 A 76 76 ASP N N 76 117.992 119.771 -1.779 1
1 620 . 2 1 1 A 77 77 PRO HA H 77 4.158 4.354 -0.196 1
1 626 . 2 1 1 A 77 77 PRO CA C 77 66.237 55.028 11.209 1
1 627 . 2 1 1 A 77 77 PRO CB C 77 31.347 41.886 -10.539 1
1 630 . 2 1 1 A 78 78 ILE H H 78 7.243 7.931 -0.688 1
1 631 . 2 1 1 A 78 78 ILE HA H 78 3.315 4.379 -1.064 1
1 641 . 2 1 1 A 78 78 ILE CA C 78 65.957 54.588 11.369 1
1 642 . 2 1 1 A 78 78 ILE CB C 78 38.787 37.125 1.662 1
1 646 . 2 1 1 A 78 78 ILE N N 78 119.472 115.815 3.657 1
1 647 . 2 1 1 A 79 79 ILE H H 79 8.180 8.434 -0.254 1
1 648 . 2 1 1 A 79 79 ILE HA H 79 3.218 4.423 -1.205 1
1 658 . 2 1 1 A 79 79 ILE CA C 79 65.939 55.453 10.486 1
1 659 . 2 1 1 A 79 79 ILE CB C 79 37.344 28.145 9.199 1
1 663 . 2 1 1 A 79 79 ILE N N 79 119.472 117.529 1.943 1
1 664 . 2 1 1 A 80 80 HIS H H 80 8.671 8.011 0.660 1
1 665 . 2 1 1 A 80 80 HIS HA H 80 4.351 4.747 -0.396 1
1 670 . 2 1 1 A 80 80 HIS CA C 80 58.731 57.584 1.147 1
1 671 . 2 1 1 A 80 80 HIS CB C 80 27.913 44.248 -16.335 1
1 672 . 2 1 1 A 80 80 HIS N N 80 117.252 122.194 -4.942 1
1 1 . 3 1 1 A 12 12 SER H H 12 8.509 8.294 0.215 1
1 2 . 3 1 1 A 12 12 SER HA H 12 4.430 4.036 0.394 1
1 4 . 3 1 1 A 12 12 SER N N 12 118.485 116.571 1.914 1
1 5 . 3 1 1 A 13 13 GLY H H 13 8.404 8.126 0.278 1
1 7 . 3 1 1 A 13 13 GLY N N 13 111.084 118.663 -7.579 1
1 8 . 3 1 1 A 14 14 ILE H H 14 8.006 8.236 -0.230 1
1 9 . 3 1 1 A 14 14 ILE HA H 14 4.086 4.122 -0.036 1
1 14 . 3 1 1 A 14 14 ILE N N 14 119.966 120.600 -0.634 1
1 15 . 3 1 1 A 15 15 GLU H H 15 8.528 7.536 0.992 1
1 16 . 3 1 1 A 15 15 GLU HA H 15 4.197 4.139 0.058 1
1 19 . 3 1 1 A 15 15 GLU N N 15 124.654 119.277 5.377 1
1 20 . 3 1 1 A 16 16 GLY H H 16 8.343 8.658 -0.315 1
1 22 . 3 1 1 A 16 16 GLY N N 16 110.097 121.540 -11.443 1
1 23 . 3 1 1 A 17 17 ARG H H 17 8.143 8.803 -0.660 1
1 24 . 3 1 1 A 17 17 ARG HA H 17 4.319 3.755 0.564 1
1 28 . 3 1 1 A 17 17 ARG N N 17 120.459 118.792 1.667 1
1 29 . 3 1 1 A 18 18 GLY H H 18 8.477 8.042 0.435 1
1 30 . 3 1 1 A 18 18 GLY HA2 H 18 3.894 4.200 -0.306 1
1 31 . 3 1 1 A 18 18 GLY N N 18 110.097 107.700 2.397 1
1 32 . 3 1 1 A 19 19 ARG H H 19 8.105 8.230 -0.125 1
1 33 . 3 1 1 A 19 19 ARG HA H 19 4.283 4.616 -0.333 1
1 38 . 3 1 1 A 19 19 ARG CA C 19 56.218 60.292 -4.074 1
1 39 . 3 1 1 A 19 19 ARG CB C 19 30.987 64.080 -33.093 1
1 42 . 3 1 1 A 19 19 ARG N N 19 120.706 114.631 6.075 1
1 43 . 3 1 1 A 20 20 SER H H 20 8.553 7.967 0.586 1
1 44 . 3 1 1 A 20 20 SER HA H 20 4.432 4.195 0.237 1
1 47 . 3 1 1 A 20 20 SER CA C 20 58.189 54.594 3.595 1
1 48 . 3 1 1 A 20 20 SER CB C 20 63.967 17.788 46.179 1
1 49 . 3 1 1 A 20 20 SER N N 20 117.992 120.192 -2.200 1
1 50 . 3 1 1 A 21 21 ALA H H 21 8.233 8.164 0.069 1
1 51 . 3 1 1 A 21 21 ALA HA H 21 4.167 4.595 -0.428 1
1 55 . 3 1 1 A 21 21 ALA CA C 21 53.662 52.867 0.795 1
1 56 . 3 1 1 A 21 21 ALA CB C 21 18.745 40.993 -22.248 1
1 57 . 3 1 1 A 21 21 ALA N N 21 126.792 114.757 12.035 1
1 58 . 3 1 1 A 22 22 LEU H H 22 8.402 7.902 0.500 1
1 59 . 3 1 1 A 22 22 LEU HA H 22 4.036 3.938 0.098 1
1 66 . 3 1 1 A 22 22 LEU CA C 22 55.382 57.332 -1.950 1
1 67 . 3 1 1 A 22 22 LEU CB C 22 42.077 30.062 12.015 1
1 70 . 3 1 1 A 22 22 LEU N N 22 121.062 116.174 4.888 1
1 71 . 3 1 1 A 23 23 SER H H 23 8.155 7.783 0.372 1
1 72 . 3 1 1 A 23 23 SER HA H 23 3.913 4.868 -0.955 1
1 75 . 3 1 1 A 23 23 SER CA C 23 63.166 53.652 9.514 1
1 76 . 3 1 1 A 23 23 SER CB C 23 62.894 43.616 19.278 1
1 77 . 3 1 1 A 23 23 SER N N 23 114.448 117.655 -3.207 1
1 78 . 3 1 1 A 24 24 CYS H H 24 7.630 8.916 -1.286 1
1 79 . 3 1 1 A 24 24 CYS HA H 24 4.389 4.053 0.336 1
1 82 . 3 1 1 A 24 24 CYS CB C 24 37.631 18.526 19.105 1
1 83 . 3 1 1 A 24 24 CYS N N 24 120.980 127.062 -6.082 1
1 84 . 3 1 1 A 25 25 GLN H H 25 8.056 7.906 0.150 1
1 85 . 3 1 1 A 25 25 GLN HA H 25 4.031 4.609 -0.578 1
1 91 . 3 1 1 A 25 25 GLN CA C 25 59.555 55.462 4.093 1
1 92 . 3 1 1 A 25 25 GLN CB C 25 30.148 39.021 -8.873 1
1 94 . 3 1 1 A 25 25 GLN N N 25 118.033 116.768 1.265 1
1 96 . 3 1 1 A 26 26 MET H H 26 8.246 7.783 0.463 1
1 97 . 3 1 1 A 26 26 MET HA H 26 3.889 3.678 0.211 1
1 105 . 3 1 1 A 26 26 MET CA C 26 61.790 65.709 -3.919 1
1 106 . 3 1 1 A 26 26 MET CB C 26 35.426 31.272 4.154 1
1 109 . 3 1 1 A 26 26 MET N N 26 118.732 119.681 -0.949 1
1 110 . 3 1 1 A 27 27 CYS H H 27 8.415 7.664 0.751 1
1 111 . 3 1 1 A 27 27 CYS HA H 27 4.100 3.781 0.319 1
1 114 . 3 1 1 A 27 27 CYS CA C 27 61.807 65.138 -3.331 1
1 115 . 3 1 1 A 27 27 CYS CB C 27 42.874 37.535 5.339 1
1 116 . 3 1 1 A 27 27 CYS N N 27 121.237 122.310 -1.073 1
1 117 . 3 1 1 A 28 28 GLU H H 28 8.581 7.833 0.748 1
1 118 . 3 1 1 A 28 28 GLU HA H 28 3.974 4.033 -0.059 1
1 123 . 3 1 1 A 28 28 GLU CA C 28 59.558 59.191 0.367 1
1 125 . 3 1 1 A 28 28 GLU N N 28 118.019 120.704 -2.685 1
1 126 . 3 1 1 A 29 29 LEU H H 29 7.881 7.529 0.352 1
1 127 . 3 1 1 A 29 29 LEU HA H 29 4.346 4.093 0.253 1
1 137 . 3 1 1 A 29 29 LEU CA C 29 57.877 59.715 -1.838 1
1 138 . 3 1 1 A 29 29 LEU CB C 29 42.067 32.433 9.634 1
1 142 . 3 1 1 A 29 29 LEU N N 29 122.680 119.801 2.879 1
1 143 . 3 1 1 A 30 30 VAL H H 30 8.251 8.411 -0.160 1
1 144 . 3 1 1 A 30 30 VAL HA H 30 3.315 4.313 -0.998 1
1 152 . 3 1 1 A 30 30 VAL CA C 30 64.085 57.528 6.557 1
1 153 . 3 1 1 A 30 30 VAL CB C 30 32.374 40.213 -7.839 1
1 156 . 3 1 1 A 30 30 VAL N N 30 120.953 120.137 0.816 1
1 157 . 3 1 1 A 31 31 VAL H H 31 8.071 8.702 -0.631 1
1 158 . 3 1 1 A 31 31 VAL HA H 31 3.340 4.064 -0.724 1
1 166 . 3 1 1 A 31 31 VAL CA C 31 67.602 62.217 5.385 1
1 167 . 3 1 1 A 31 31 VAL CB C 31 31.803 39.132 -7.329 1
1 170 . 3 1 1 A 31 31 VAL N N 31 118.979 120.965 -1.986 1
1 171 . 3 1 1 A 32 32 LYS H H 32 8.088 8.522 -0.434 1
1 172 . 3 1 1 A 32 32 LYS HA H 32 4.096 4.476 -0.380 1
1 178 . 3 1 1 A 32 32 LYS CA C 32 59.838 57.785 2.053 1
1 179 . 3 1 1 A 32 32 LYS CB C 32 32.651 42.102 -9.451 1
1 183 . 3 1 1 A 32 32 LYS N N 32 119.226 119.376 -0.150 1
1 184 . 3 1 1 A 33 33 LYS H H 33 8.460 8.566 -0.106 1
1 185 . 3 1 1 A 33 33 LYS HA H 33 4.176 4.036 0.140 1
1 194 . 3 1 1 A 33 33 LYS CA C 33 57.066 55.455 1.611 1
1 195 . 3 1 1 A 33 33 LYS CB C 33 31.540 18.231 13.309 1
1 199 . 3 1 1 A 33 33 LYS N N 33 118.868 121.351 -2.483 1
1 200 . 3 1 1 A 34 34 TYR H H 34 8.966 7.929 1.037 1
1 201 . 3 1 1 A 34 34 TYR HA H 34 3.935 3.869 0.066 1
1 205 . 3 1 1 A 34 34 TYR CA C 34 62.301 58.282 4.019 1
1 206 . 3 1 1 A 34 34 TYR CB C 34 39.007 29.128 9.879 1
1 207 . 3 1 1 A 34 34 TYR N N 34 121.940 117.397 4.543 1
1 208 . 3 1 1 A 35 35 GLU H H 35 8.980 7.858 1.122 1
1 209 . 3 1 1 A 35 35 GLU HA H 35 3.898 3.734 0.164 1
1 214 . 3 1 1 A 35 35 GLU CA C 35 58.979 59.186 -0.207 1
1 215 . 3 1 1 A 35 35 GLU CB C 35 29.876 41.957 -12.081 1
1 217 . 3 1 1 A 35 35 GLU N N 35 118.239 118.041 0.198 1
1 218 . 3 1 1 A 36 36 GLY H H 36 7.696 8.068 -0.372 1
1 221 . 3 1 1 A 36 36 GLY CA C 36 45.055 59.120 -14.065 1
1 222 . 3 1 1 A 36 36 GLY N N 36 103.730 119.828 -16.098 1
1 223 . 3 1 1 A 37 37 SER H H 37 6.977 7.517 -0.540 1
1 224 . 3 1 1 A 37 37 SER HA H 37 4.364 3.980 0.384 1
1 227 . 3 1 1 A 37 37 SER CA C 37 57.087 58.893 -1.806 1
1 228 . 3 1 1 A 37 37 SER CB C 37 63.450 32.634 30.816 1
1 229 . 3 1 1 A 37 37 SER N N 37 115.525 119.458 -3.933 1
1 230 . 3 1 1 A 38 38 ALA H H 38 8.918 8.233 0.685 1
1 231 . 3 1 1 A 38 38 ALA HA H 38 4.153 3.800 0.353 1
1 235 . 3 1 1 A 38 38 ALA CA C 38 54.285 57.826 -3.541 1
1 236 . 3 1 1 A 38 38 ALA CB C 38 18.784 41.383 -22.599 1
1 237 . 3 1 1 A 38 38 ALA N N 38 131.315 120.893 10.422 1
1 238 . 3 1 1 A 39 39 ASP H H 39 7.712 7.904 -0.192 1
1 239 . 3 1 1 A 39 39 ASP HA H 39 4.578 4.672 -0.094 1
1 242 . 3 1 1 A 39 39 ASP CA C 39 52.907 58.334 -5.427 1
1 243 . 3 1 1 A 39 39 ASP CB C 39 41.519 38.279 3.240 1
1 244 . 3 1 1 A 39 39 ASP N N 39 114.785 116.939 -2.154 1
1 245 . 3 1 1 A 40 40 LYS H H 40 8.386 8.104 0.282 1
1 246 . 3 1 1 A 40 40 LYS HA H 40 3.604 4.670 -1.066 1
1 255 . 3 1 1 A 40 40 LYS CA C 40 54.835 58.452 -3.617 1
1 256 . 3 1 1 A 40 40 LYS CB C 40 29.039 29.014 0.025 1
1 260 . 3 1 1 A 40 40 LYS N N 40 119.226 118.140 1.086 1
1 261 . 3 1 1 A 41 41 ASP H H 41 7.523 7.522 0.001 1
1 262 . 3 1 1 A 41 41 ASP HA H 41 4.376 4.404 -0.028 1
1 265 . 3 1 1 A 41 41 ASP CA C 41 54.330 60.028 -5.698 1
1 266 . 3 1 1 A 41 41 ASP CB C 41 42.108 68.498 -26.390 1
1 267 . 3 1 1 A 41 41 ASP N N 41 119.226 107.050 12.176 1
1 268 . 3 1 1 A 42 42 ALA H H 42 9.017 8.200 0.817 1
1 269 . 3 1 1 A 42 42 ALA HA H 42 3.860 4.656 -0.796 1
1 273 . 3 1 1 A 42 42 ALA CA C 42 55.680 57.893 -2.213 1
1 274 . 3 1 1 A 42 42 ALA CB C 42 19.315 41.668 -22.353 1
1 275 . 3 1 1 A 42 42 ALA N N 42 130.822 125.440 5.382 1
1 277 . 3 1 1 A 43 43 ASN HA H 43 4.386 4.458 -0.072 1
1 280 . 3 1 1 A 43 43 ASN CA C 43 56.511 63.504 -6.993 1
1 281 . 3 1 1 A 43 43 ASN CB C 43 38.255 31.278 6.977 1
1 282 . 3 1 1 A 43 43 ASN N N 43 114.785 140.254 -25.469 1
1 283 . 3 1 1 A 44 44 VAL H H 44 7.510 9.053 -1.543 1
1 284 . 3 1 1 A 44 44 VAL HA H 44 3.601 4.387 -0.786 1
1 292 . 3 1 1 A 44 44 VAL CA C 44 66.228 59.449 6.779 1
1 293 . 3 1 1 A 44 44 VAL CB C 44 33.117 38.664 -5.547 1
1 296 . 3 1 1 A 44 44 VAL N N 44 123.173 123.133 0.040 1
1 297 . 3 1 1 A 45 45 ILE H H 45 8.084 8.093 -0.009 1
1 308 . 3 1 1 A 45 45 ILE CA C 45 65.113 47.250 17.863 1
1 313 . 3 1 1 A 45 45 ILE N N 45 120.213 107.902 12.311 1
1 314 . 3 1 1 A 46 46 LYS H H 46 8.393 8.152 0.241 1
1 315 . 3 1 1 A 46 46 LYS HA H 46 3.809 4.058 -0.249 1
1 320 . 3 1 1 A 46 46 LYS CA C 46 62.030 65.696 -3.666 1
1 321 . 3 1 1 A 46 46 LYS CB C 46 32.915 68.496 -35.581 1
1 324 . 3 1 1 A 46 46 LYS N N 46 118.239 116.257 1.982 1
1 325 . 3 1 1 A 47 47 LYS H H 47 7.469 8.089 -0.620 1
1 326 . 3 1 1 A 47 47 LYS HA H 47 4.128 3.824 0.304 1
1 332 . 3 1 1 A 47 47 LYS CA C 47 59.824 59.221 0.603 1
1 333 . 3 1 1 A 47 47 LYS CB C 47 32.656 29.312 3.344 1
1 337 . 3 1 1 A 47 47 LYS N N 47 119.719 121.774 -2.055 1
1 338 . 3 1 1 A 48 48 ASP H H 48 8.697 8.209 0.488 1
1 339 . 3 1 1 A 48 48 ASP HA H 48 4.483 4.184 0.299 1
1 342 . 3 1 1 A 48 48 ASP CA C 48 57.054 59.281 -2.227 1
1 343 . 3 1 1 A 48 48 ASP CB C 48 40.422 28.867 11.555 1
1 344 . 3 1 1 A 48 48 ASP N N 48 122.433 118.449 3.984 1
1 345 . 3 1 1 A 49 49 PHE H H 49 9.328 8.275 1.053 1
1 346 . 3 1 1 A 49 49 PHE HA H 49 3.820 4.681 -0.861 1
1 351 . 3 1 1 A 49 49 PHE CA C 49 62.071 59.589 2.482 1
1 352 . 3 1 1 A 49 49 PHE CB C 49 39.041 42.506 -3.465 1
1 353 . 3 1 1 A 49 49 PHE N N 49 120.502 117.911 2.591 1
1 354 . 3 1 1 A 50 50 ASP H H 50 8.603 8.337 0.266 1
1 355 . 3 1 1 A 50 50 ASP HA H 50 3.855 4.516 -0.661 1
1 358 . 3 1 1 A 50 50 ASP CA C 50 57.655 57.440 0.215 1
1 359 . 3 1 1 A 50 50 ASP CB C 50 41.246 40.649 0.597 1
1 360 . 3 1 1 A 50 50 ASP N N 50 120.706 122.645 -1.939 1
1 361 . 3 1 1 A 51 51 ALA H H 51 7.510 7.626 -0.116 1
1 362 . 3 1 1 A 51 51 ALA HA H 51 3.982 4.485 -0.503 1
1 366 . 3 1 1 A 51 51 ALA CA C 51 56.311 57.301 -0.990 1
1 367 . 3 1 1 A 51 51 ALA CB C 51 18.201 30.144 -11.943 1
1 368 . 3 1 1 A 51 51 ALA N N 51 117.499 120.201 -2.702 1
1 369 . 3 1 1 A 52 52 GLU H H 52 7.604 8.067 -0.463 1
1 370 . 3 1 1 A 52 52 GLU HA H 52 3.941 4.340 -0.399 1
1 374 . 3 1 1 A 52 52 GLU CA C 52 59.294 60.558 -1.264 1
1 375 . 3 1 1 A 52 52 GLU CB C 52 29.581 39.494 -9.913 1
1 377 . 3 1 1 A 52 52 GLU N N 52 118.979 119.487 -0.508 1
1 378 . 3 1 1 A 53 53 CYS H H 53 9.106 8.214 0.892 1
1 379 . 3 1 1 A 53 53 CYS HA H 53 3.502 3.609 -0.107 1
1 382 . 3 1 1 A 53 53 CYS CA C 53 60.943 64.756 -3.813 1
1 383 . 3 1 1 A 53 53 CYS CB C 53 37.388 31.552 5.836 1
1 384 . 3 1 1 A 53 53 CYS N N 53 120.292 117.639 2.653 1
1 385 . 3 1 1 A 54 54 LYS H H 54 7.888 7.636 0.252 1
1 386 . 3 1 1 A 54 54 LYS HA H 54 3.634 4.874 -1.240 1
1 394 . 3 1 1 A 54 54 LYS CA C 54 60.379 51.907 8.472 1
1 395 . 3 1 1 A 54 54 LYS CB C 54 32.093 38.944 -6.851 1
1 399 . 3 1 1 A 54 54 LYS N N 54 117.499 120.378 -2.879 1
1 400 . 3 1 1 A 55 55 LYS H H 55 7.300 8.067 -0.767 1
1 401 . 3 1 1 A 55 55 LYS HA H 55 4.028 4.478 -0.450 1
1 408 . 3 1 1 A 55 55 LYS CA C 55 59.571 58.839 0.732 1
1 409 . 3 1 1 A 55 55 LYS CB C 55 32.647 66.105 -33.458 1
1 412 . 3 1 1 A 55 55 LYS N N 55 120.213 118.094 2.119 1
1 413 . 3 1 1 A 56 56 LEU H H 56 8.074 8.136 -0.062 1
1 414 . 3 1 1 A 56 56 LEU HA H 56 3.848 4.375 -0.527 1
1 424 . 3 1 1 A 56 56 LEU CA C 56 57.354 55.044 2.310 1
1 425 . 3 1 1 A 56 56 LEU CB C 56 41.816 33.274 8.542 1
1 429 . 3 1 1 A 56 56 LEU N N 56 119.719 116.855 2.864 1
1 430 . 3 1 1 A 57 57 PHE H H 57 8.054 7.543 0.511 1
1 431 . 3 1 1 A 57 57 PHE HA H 57 4.983 3.582 1.401 1
1 436 . 3 1 1 A 57 57 PHE CA C 57 56.470 65.111 -8.641 1
1 437 . 3 1 1 A 57 57 PHE CB C 57 37.916 31.645 6.271 1
1 438 . 3 1 1 A 57 57 PHE N N 57 113.798 118.090 -4.292 1
1 439 . 3 1 1 A 58 58 HIS H H 58 7.523 8.398 -0.875 1
1 440 . 3 1 1 A 58 58 HIS HA H 58 4.448 4.355 0.093 1
1 443 . 3 1 1 A 58 58 HIS CA C 58 59.037 58.998 0.039 1
1 444 . 3 1 1 A 58 58 HIS CB C 58 27.942 38.104 -10.162 1
1 445 . 3 1 1 A 58 58 HIS N N 58 116.758 120.458 -3.700 1
1 447 . 3 1 1 A 59 59 THR HA H 59 4.085 4.595 -0.510 1
1 452 . 3 1 1 A 59 59 THR CA C 59 62.033 66.025 -3.992 1
1 453 . 3 1 1 A 59 59 THR CB C 59 68.425 30.852 37.573 1
1 455 . 3 1 1 A 59 59 THR N N 59 108.123 135.036 -26.913 1
1 456 . 3 1 1 A 60 60 ILE H H 60 7.540 7.200 0.340 1
1 457 . 3 1 1 A 60 60 ILE HA H 60 4.444 3.572 0.872 1
1 467 . 3 1 1 A 60 60 ILE CA C 60 58.167 64.578 -6.411 1
1 468 . 3 1 1 A 60 60 ILE CB C 60 38.745 37.754 0.991 1
1 472 . 3 1 1 A 60 60 ILE N N 60 124.900 116.516 8.384 1
1 473 . 3 1 1 A 61 61 PRO HA H 61 4.105 3.930 0.175 1
1 480 . 3 1 1 A 61 61 PRO CA C 61 64.800 64.702 0.098 1
1 481 . 3 1 1 A 61 61 PRO CB C 61 31.271 37.129 -5.858 1
1 484 . 3 1 1 A 62 62 PHE HA H 62 4.560 4.252 0.308 1
1 487 . 3 1 1 A 62 62 PHE CA C 62 58.476 59.108 -0.632 1
1 488 . 3 1 1 A 62 62 PHE CB C 62 37.121 29.283 7.838 1
1 489 . 3 1 1 A 63 63 GLY H H 63 8.543 7.728 0.815 1
1 492 . 3 1 1 A 63 63 GLY CA C 63 47.897 59.165 -11.268 1
1 493 . 3 1 1 A 63 63 GLY N N 63 110.590 120.021 -9.431 1
1 494 . 3 1 1 A 64 64 THR H H 64 8.513 8.010 0.503 1
1 495 . 3 1 1 A 64 64 THR HA H 64 4.206 4.054 0.152 1
1 500 . 3 1 1 A 64 64 THR CA C 64 67.646 57.970 9.676 1
1 501 . 3 1 1 A 64 64 THR CB C 64 67.349 41.377 25.972 1
1 503 . 3 1 1 A 64 64 THR N N 64 114.538 119.699 -5.161 1
1 504 . 3 1 1 A 65 65 ARG H H 65 7.519 8.830 -1.311 1
1 505 . 3 1 1 A 65 65 ARG HA H 65 4.177 4.164 0.013 1
1 512 . 3 1 1 A 65 65 ARG CA C 65 55.799 59.754 -3.955 1
1 513 . 3 1 1 A 65 65 ARG CB C 65 30.146 29.185 0.961 1
1 516 . 3 1 1 A 65 65 ARG N N 65 121.940 118.875 3.065 1
1 517 . 3 1 1 A 66 66 GLU H H 66 8.453 8.428 0.025 1
1 523 . 3 1 1 A 66 66 GLU CA C 66 58.981 46.933 12.048 1
1 526 . 3 1 1 A 66 66 GLU N N 66 120.459 108.650 11.809 1
1 527 . 3 1 1 A 67 67 CYS H H 67 8.467 8.024 0.443 1
1 531 . 3 1 1 A 67 67 CYS CA C 67 59.277 45.081 14.196 1
1 533 . 3 1 1 A 67 67 CYS N N 67 121.446 106.703 14.743 1
1 534 . 3 1 1 A 68 68 ASP H H 68 8.002 8.023 -0.021 1
1 535 . 3 1 1 A 68 68 ASP HA H 68 4.514 4.475 0.039 1
1 538 . 3 1 1 A 68 68 ASP CA C 68 57.902 60.987 -3.085 1
1 539 . 3 1 1 A 68 68 ASP CB C 68 40.393 71.157 -30.764 1
1 540 . 3 1 1 A 68 68 ASP N N 68 120.459 115.190 5.269 1
1 541 . 3 1 1 A 69 69 HIS H H 69 8.564 8.647 -0.083 1
1 542 . 3 1 1 A 69 69 HIS HA H 69 4.510 4.435 0.075 1
1 545 . 3 1 1 A 69 69 HIS CA C 69 58.127 50.988 7.139 1
1 546 . 3 1 1 A 69 69 HIS CB C 69 28.480 18.270 10.210 1
1 547 . 3 1 1 A 69 69 HIS N N 69 119.246 129.227 -9.981 1
1 549 . 3 1 1 A 70 70 TYR HA H 70 3.706 4.546 -0.840 1
1 553 . 3 1 1 A 70 70 TYR CA C 70 63.989 64.216 -0.227 1
1 554 . 3 1 1 A 70 70 TYR CB C 70 40.145 31.743 8.402 1
1 555 . 3 1 1 A 70 70 TYR N N 70 125.887 135.116 -9.229 1
1 556 . 3 1 1 A 71 71 VAL H H 71 8.295 8.368 -0.073 1
1 557 . 3 1 1 A 71 71 VAL HA H 71 3.554 4.369 -0.815 1
1 565 . 3 1 1 A 71 71 VAL CA C 71 67.021 56.897 10.124 1
1 566 . 3 1 1 A 71 71 VAL CB C 71 32.084 32.235 -0.151 1
1 569 . 3 1 1 A 71 71 VAL N N 71 118.239 117.240 0.999 1
1 570 . 3 1 1 A 72 72 ASN H H 72 7.511 7.778 -0.267 1
1 571 . 3 1 1 A 72 72 ASN HA H 72 4.558 4.681 -0.123 1
1 574 . 3 1 1 A 72 72 ASN CA C 72 55.116 54.969 0.147 1
1 575 . 3 1 1 A 72 72 ASN CB C 72 39.569 41.857 -2.288 1
1 576 . 3 1 1 A 72 72 ASN N N 72 116.018 117.851 -1.833 1
1 577 . 3 1 1 A 73 73 SER H H 73 7.709 7.535 0.174 1
1 578 . 3 1 1 A 73 73 SER HA H 73 4.633 3.426 1.207 1
1 581 . 3 1 1 A 73 73 SER CA C 73 59.832 66.170 -6.338 1
1 582 . 3 1 1 A 73 73 SER CB C 73 65.899 31.396 34.503 1
1 583 . 3 1 1 A 73 73 SER N N 73 110.837 119.215 -8.378 1
1 584 . 3 1 1 A 74 74 LYS H H 74 7.942 7.781 0.161 1
1 585 . 3 1 1 A 74 74 LYS HA H 74 4.280 4.693 -0.413 1
1 593 . 3 1 1 A 74 74 LYS CA C 74 55.124 55.797 -0.673 1
1 594 . 3 1 1 A 74 74 LYS CB C 74 33.198 40.535 -7.337 1
1 598 . 3 1 1 A 74 74 LYS N N 74 120.706 114.910 5.796 1
1 599 . 3 1 1 A 75 75 VAL H H 75 7.227 8.455 -1.228 1
1 600 . 3 1 1 A 75 75 VAL HA H 75 3.315 4.731 -1.416 1
1 608 . 3 1 1 A 75 75 VAL CA C 75 67.599 63.548 4.051 1
1 609 . 3 1 1 A 75 75 VAL CB C 75 31.540 71.263 -39.723 1
1 612 . 3 1 1 A 75 75 VAL N N 75 120.147 115.973 4.174 1
1 613 . 3 1 1 A 76 76 ASP H H 76 8.851 8.296 0.555 1
1 614 . 3 1 1 A 76 76 ASP HA H 76 4.402 4.172 0.230 1
1 617 . 3 1 1 A 76 76 ASP CA C 76 59.568 58.874 0.694 1
1 618 . 3 1 1 A 76 76 ASP CB C 76 37.667 32.323 5.344 1
1 619 . 3 1 1 A 76 76 ASP N N 76 117.992 119.605 -1.613 1
1 620 . 3 1 1 A 77 77 PRO HA H 77 4.158 4.351 -0.193 1
1 626 . 3 1 1 A 77 77 PRO CA C 77 66.237 54.866 11.371 1
1 627 . 3 1 1 A 77 77 PRO CB C 77 31.347 41.829 -10.482 1
1 630 . 3 1 1 A 78 78 ILE H H 78 7.243 7.876 -0.633 1
1 631 . 3 1 1 A 78 78 ILE HA H 78 3.315 4.430 -1.115 1
1 641 . 3 1 1 A 78 78 ILE CA C 78 65.957 54.236 11.721 1
1 642 . 3 1 1 A 78 78 ILE CB C 78 38.787 37.443 1.344 1
1 646 . 3 1 1 A 78 78 ILE N N 78 119.472 116.476 2.996 1
1 647 . 3 1 1 A 79 79 ILE H H 79 8.180 8.504 -0.324 1
1 648 . 3 1 1 A 79 79 ILE HA H 79 3.218 4.361 -1.143 1
1 658 . 3 1 1 A 79 79 ILE CA C 79 65.939 56.127 9.812 1
1 659 . 3 1 1 A 79 79 ILE CB C 79 37.344 29.671 7.673 1
1 663 . 3 1 1 A 79 79 ILE N N 79 119.472 117.319 2.153 1
1 664 . 3 1 1 A 80 80 HIS H H 80 8.671 7.713 0.958 1
1 665 . 3 1 1 A 80 80 HIS HA H 80 4.351 4.799 -0.448 1
1 670 . 3 1 1 A 80 80 HIS CA C 80 58.731 54.929 3.802 1
1 671 . 3 1 1 A 80 80 HIS CB C 80 27.913 43.506 -15.593 1
1 672 . 3 1 1 A 80 80 HIS N N 80 117.252 116.567 0.685 1
1 1 . 4 1 1 A 12 12 SER H H 12 8.509 8.253 0.256 1
1 2 . 4 1 1 A 12 12 SER HA H 12 4.430 4.011 0.419 1
1 4 . 4 1 1 A 12 12 SER N N 12 118.485 116.860 1.625 1
1 5 . 4 1 1 A 13 13 GLY H H 13 8.404 8.005 0.399 1
1 7 . 4 1 1 A 13 13 GLY N N 13 111.084 118.933 -7.849 1
1 8 . 4 1 1 A 14 14 ILE H H 14 8.006 8.243 -0.237 1
1 9 . 4 1 1 A 14 14 ILE HA H 14 4.086 3.979 0.107 1
1 14 . 4 1 1 A 14 14 ILE N N 14 119.966 122.206 -2.240 1
1 15 . 4 1 1 A 15 15 GLU H H 15 8.528 7.802 0.726 1
1 16 . 4 1 1 A 15 15 GLU HA H 15 4.197 4.191 0.006 1
1 19 . 4 1 1 A 15 15 GLU N N 15 124.654 119.040 5.614 1
1 20 . 4 1 1 A 16 16 GLY H H 16 8.343 8.683 -0.340 1
1 22 . 4 1 1 A 16 16 GLY N N 16 110.097 121.631 -11.534 1
1 23 . 4 1 1 A 17 17 ARG H H 17 8.143 8.924 -0.781 1
1 24 . 4 1 1 A 17 17 ARG HA H 17 4.319 3.800 0.519 1
1 28 . 4 1 1 A 17 17 ARG N N 17 120.459 118.796 1.663 1
1 29 . 4 1 1 A 18 18 GLY H H 18 8.477 8.128 0.349 1
1 30 . 4 1 1 A 18 18 GLY HA2 H 18 3.894 4.202 -0.308 1
1 31 . 4 1 1 A 18 18 GLY N N 18 110.097 108.012 2.085 1
1 32 . 4 1 1 A 19 19 ARG H H 19 8.105 8.086 0.019 1
1 33 . 4 1 1 A 19 19 ARG HA H 19 4.283 4.467 -0.184 1
1 38 . 4 1 1 A 19 19 ARG CA C 19 56.218 60.725 -4.507 1
1 39 . 4 1 1 A 19 19 ARG CB C 19 30.987 64.187 -33.200 1
1 42 . 4 1 1 A 19 19 ARG N N 19 120.706 115.320 5.386 1
1 43 . 4 1 1 A 20 20 SER H H 20 8.553 8.114 0.439 1
1 44 . 4 1 1 A 20 20 SER HA H 20 4.432 4.083 0.349 1
1 47 . 4 1 1 A 20 20 SER CA C 20 58.189 53.217 4.972 1
1 48 . 4 1 1 A 20 20 SER CB C 20 63.967 17.353 46.614 1
1 49 . 4 1 1 A 20 20 SER N N 20 117.992 121.764 -3.772 1
1 50 . 4 1 1 A 21 21 ALA H H 21 8.233 8.421 -0.188 1
1 51 . 4 1 1 A 21 21 ALA HA H 21 4.167 4.723 -0.556 1
1 55 . 4 1 1 A 21 21 ALA CA C 21 53.662 54.497 -0.835 1
1 56 . 4 1 1 A 21 21 ALA CB C 21 18.745 43.719 -24.974 1
1 57 . 4 1 1 A 21 21 ALA N N 21 126.792 114.339 12.453 1
1 58 . 4 1 1 A 22 22 LEU H H 22 8.402 8.168 0.234 1
1 59 . 4 1 1 A 22 22 LEU HA H 22 4.036 4.025 0.011 1
1 66 . 4 1 1 A 22 22 LEU CA C 22 55.382 57.438 -2.056 1
1 67 . 4 1 1 A 22 22 LEU CB C 22 42.077 29.453 12.624 1
1 70 . 4 1 1 A 22 22 LEU N N 22 121.062 117.110 3.952 1
1 71 . 4 1 1 A 23 23 SER H H 23 8.155 7.991 0.164 1
1 72 . 4 1 1 A 23 23 SER HA H 23 3.913 4.981 -1.068 1
1 75 . 4 1 1 A 23 23 SER CA C 23 63.166 52.707 10.459 1
1 76 . 4 1 1 A 23 23 SER CB C 23 62.894 42.454 20.440 1
1 77 . 4 1 1 A 23 23 SER N N 23 114.448 115.662 -1.214 1
1 78 . 4 1 1 A 24 24 CYS H H 24 7.630 8.873 -1.243 1
1 79 . 4 1 1 A 24 24 CYS HA H 24 4.389 3.894 0.495 1
1 82 . 4 1 1 A 24 24 CYS CB C 24 37.631 18.387 19.244 1
1 83 . 4 1 1 A 24 24 CYS N N 24 120.980 126.380 -5.400 1
1 84 . 4 1 1 A 25 25 GLN H H 25 8.056 7.963 0.093 1
1 85 . 4 1 1 A 25 25 GLN HA H 25 4.031 4.565 -0.534 1
1 91 . 4 1 1 A 25 25 GLN CA C 25 59.555 55.530 4.025 1
1 92 . 4 1 1 A 25 25 GLN CB C 25 30.148 38.819 -8.671 1
1 94 . 4 1 1 A 25 25 GLN N N 25 118.033 116.605 1.428 1
1 96 . 4 1 1 A 26 26 MET H H 26 8.246 7.827 0.419 1
1 97 . 4 1 1 A 26 26 MET HA H 26 3.889 3.818 0.071 1
1 105 . 4 1 1 A 26 26 MET CA C 26 61.790 65.421 -3.631 1
1 106 . 4 1 1 A 26 26 MET CB C 26 35.426 31.191 4.235 1
1 109 . 4 1 1 A 26 26 MET N N 26 118.732 119.172 -0.440 1
1 110 . 4 1 1 A 27 27 CYS H H 27 8.415 7.420 0.995 1
1 111 . 4 1 1 A 27 27 CYS HA H 27 4.100 3.911 0.189 1
1 114 . 4 1 1 A 27 27 CYS CA C 27 61.807 64.220 -2.413 1
1 115 . 4 1 1 A 27 27 CYS CB C 27 42.874 37.667 5.207 1
1 116 . 4 1 1 A 27 27 CYS N N 27 121.237 121.770 -0.533 1
1 117 . 4 1 1 A 28 28 GLU H H 28 8.581 7.781 0.800 1
1 118 . 4 1 1 A 28 28 GLU HA H 28 3.974 4.073 -0.099 1
1 123 . 4 1 1 A 28 28 GLU CA C 28 59.558 59.151 0.407 1
1 125 . 4 1 1 A 28 28 GLU N N 28 118.019 120.386 -2.367 1
1 126 . 4 1 1 A 29 29 LEU H H 29 7.881 7.590 0.291 1
1 127 . 4 1 1 A 29 29 LEU HA H 29 4.346 4.121 0.225 1
1 137 . 4 1 1 A 29 29 LEU CA C 29 57.877 59.842 -1.965 1
1 138 . 4 1 1 A 29 29 LEU CB C 29 42.067 32.293 9.774 1
1 142 . 4 1 1 A 29 29 LEU N N 29 122.680 119.776 2.904 1
1 143 . 4 1 1 A 30 30 VAL H H 30 8.251 8.390 -0.139 1
1 144 . 4 1 1 A 30 30 VAL HA H 30 3.315 4.300 -0.985 1
1 152 . 4 1 1 A 30 30 VAL CA C 30 64.085 57.267 6.818 1
1 153 . 4 1 1 A 30 30 VAL CB C 30 32.374 40.691 -8.317 1
1 156 . 4 1 1 A 30 30 VAL N N 30 120.953 119.904 1.049 1
1 157 . 4 1 1 A 31 31 VAL H H 31 8.071 8.375 -0.304 1
1 158 . 4 1 1 A 31 31 VAL HA H 31 3.340 4.009 -0.669 1
1 166 . 4 1 1 A 31 31 VAL CA C 31 67.602 62.213 5.389 1
1 167 . 4 1 1 A 31 31 VAL CB C 31 31.803 38.962 -7.159 1
1 170 . 4 1 1 A 31 31 VAL N N 31 118.979 120.956 -1.977 1
1 171 . 4 1 1 A 32 32 LYS H H 32 8.088 8.355 -0.267 1
1 172 . 4 1 1 A 32 32 LYS HA H 32 4.096 4.499 -0.403 1
1 178 . 4 1 1 A 32 32 LYS CA C 32 59.838 57.786 2.052 1
1 179 . 4 1 1 A 32 32 LYS CB C 32 32.651 41.338 -8.687 1
1 183 . 4 1 1 A 32 32 LYS N N 32 119.226 119.627 -0.401 1
1 184 . 4 1 1 A 33 33 LYS H H 33 8.460 8.437 0.023 1
1 185 . 4 1 1 A 33 33 LYS HA H 33 4.176 4.008 0.168 1
1 194 . 4 1 1 A 33 33 LYS CA C 33 57.066 55.431 1.635 1
1 195 . 4 1 1 A 33 33 LYS CB C 33 31.540 18.752 12.788 1
1 199 . 4 1 1 A 33 33 LYS N N 33 118.868 122.133 -3.265 1
1 200 . 4 1 1 A 34 34 TYR H H 34 8.966 8.452 0.514 1
1 201 . 4 1 1 A 34 34 TYR HA H 34 3.935 3.844 0.091 1
1 205 . 4 1 1 A 34 34 TYR CA C 34 62.301 59.623 2.678 1
1 206 . 4 1 1 A 34 34 TYR CB C 34 39.007 29.025 9.982 1
1 207 . 4 1 1 A 34 34 TYR N N 34 121.940 117.258 4.682 1
1 208 . 4 1 1 A 35 35 GLU H H 35 8.980 7.845 1.135 1
1 209 . 4 1 1 A 35 35 GLU HA H 35 3.898 3.804 0.094 1
1 214 . 4 1 1 A 35 35 GLU CA C 35 58.979 59.669 -0.690 1
1 215 . 4 1 1 A 35 35 GLU CB C 35 29.876 41.201 -11.325 1
1 217 . 4 1 1 A 35 35 GLU N N 35 118.239 117.311 0.928 1
1 218 . 4 1 1 A 36 36 GLY H H 36 7.696 8.291 -0.595 1
1 221 . 4 1 1 A 36 36 GLY CA C 36 45.055 59.477 -14.422 1
1 222 . 4 1 1 A 36 36 GLY N N 36 103.730 119.699 -15.969 1
1 223 . 4 1 1 A 37 37 SER H H 37 6.977 8.705 -1.728 1
1 224 . 4 1 1 A 37 37 SER HA H 37 4.364 4.336 0.028 1
1 227 . 4 1 1 A 37 37 SER CA C 37 57.087 57.908 -0.821 1
1 228 . 4 1 1 A 37 37 SER CB C 37 63.450 33.007 30.443 1
1 229 . 4 1 1 A 37 37 SER N N 37 115.525 118.546 -3.021 1
1 230 . 4 1 1 A 38 38 ALA H H 38 8.918 9.399 -0.481 1
1 231 . 4 1 1 A 38 38 ALA HA H 38 4.153 4.060 0.093 1
1 235 . 4 1 1 A 38 38 ALA CA C 38 54.285 58.273 -3.988 1
1 236 . 4 1 1 A 38 38 ALA CB C 38 18.784 41.204 -22.420 1
1 237 . 4 1 1 A 38 38 ALA N N 38 131.315 121.034 10.281 1
1 238 . 4 1 1 A 39 39 ASP H H 39 7.712 9.594 -1.882 1
1 239 . 4 1 1 A 39 39 ASP HA H 39 4.578 4.957 -0.379 1
1 242 . 4 1 1 A 39 39 ASP CA C 39 52.907 56.362 -3.455 1
1 243 . 4 1 1 A 39 39 ASP CB C 39 41.519 37.961 3.558 1
1 244 . 4 1 1 A 39 39 ASP N N 39 114.785 115.792 -1.007 1
1 245 . 4 1 1 A 40 40 LYS H H 40 8.386 8.359 0.027 1
1 246 . 4 1 1 A 40 40 LYS HA H 40 3.604 4.498 -0.894 1
1 255 . 4 1 1 A 40 40 LYS CA C 40 54.835 58.942 -4.107 1
1 256 . 4 1 1 A 40 40 LYS CB C 40 29.039 28.934 0.105 1
1 260 . 4 1 1 A 40 40 LYS N N 40 119.226 117.870 1.356 1
1 261 . 4 1 1 A 41 41 ASP H H 41 7.523 7.175 0.348 1
1 262 . 4 1 1 A 41 41 ASP HA H 41 4.376 3.812 0.564 1
1 265 . 4 1 1 A 41 41 ASP CA C 41 54.330 65.260 -10.930 1
1 266 . 4 1 1 A 41 41 ASP CB C 41 42.108 68.138 -26.030 1
1 267 . 4 1 1 A 41 41 ASP N N 41 119.226 110.486 8.740 1
1 268 . 4 1 1 A 42 42 ALA H H 42 9.017 7.468 1.549 1
1 269 . 4 1 1 A 42 42 ALA HA H 42 3.860 4.010 -0.150 1
1 273 . 4 1 1 A 42 42 ALA CA C 42 55.680 60.378 -4.698 1
1 274 . 4 1 1 A 42 42 ALA CB C 42 19.315 37.094 -17.779 1
1 275 . 4 1 1 A 42 42 ALA N N 42 130.822 124.449 6.373 1
1 277 . 4 1 1 A 43 43 ASN HA H 43 4.386 4.319 0.067 1
1 280 . 4 1 1 A 43 43 ASN CA C 43 56.511 66.145 -9.634 1
1 281 . 4 1 1 A 43 43 ASN CB C 43 38.255 31.277 6.978 1
1 282 . 4 1 1 A 43 43 ASN N N 43 114.785 141.044 -26.259 1
1 283 . 4 1 1 A 44 44 VAL H H 44 7.510 8.889 -1.379 1
1 284 . 4 1 1 A 44 44 VAL HA H 44 3.601 4.381 -0.780 1
1 292 . 4 1 1 A 44 44 VAL CA C 44 66.228 60.317 5.911 1
1 293 . 4 1 1 A 44 44 VAL CB C 44 33.117 37.511 -4.394 1
1 296 . 4 1 1 A 44 44 VAL N N 44 123.173 115.691 7.482 1
1 297 . 4 1 1 A 45 45 ILE H H 45 8.084 7.796 0.288 1
1 308 . 4 1 1 A 45 45 ILE CA C 45 65.113 46.663 18.450 1
1 313 . 4 1 1 A 45 45 ILE N N 45 120.213 108.747 11.466 1
1 314 . 4 1 1 A 46 46 LYS H H 46 8.393 7.835 0.558 1
1 315 . 4 1 1 A 46 46 LYS HA H 46 3.809 3.996 -0.187 1
1 320 . 4 1 1 A 46 46 LYS CA C 46 62.030 65.676 -3.646 1
1 321 . 4 1 1 A 46 46 LYS CB C 46 32.915 68.267 -35.352 1
1 324 . 4 1 1 A 46 46 LYS N N 46 118.239 116.089 2.150 1
1 325 . 4 1 1 A 47 47 LYS H H 47 7.469 8.129 -0.660 1
1 326 . 4 1 1 A 47 47 LYS HA H 47 4.128 4.089 0.039 1
1 332 . 4 1 1 A 47 47 LYS CA C 47 59.824 59.747 0.077 1
1 333 . 4 1 1 A 47 47 LYS CB C 47 32.656 30.263 2.393 1
1 337 . 4 1 1 A 47 47 LYS N N 47 119.719 122.202 -2.483 1
1 338 . 4 1 1 A 48 48 ASP H H 48 8.697 9.845 -1.148 1
1 339 . 4 1 1 A 48 48 ASP HA H 48 4.483 4.199 0.284 1
1 342 . 4 1 1 A 48 48 ASP CA C 48 57.054 59.645 -2.591 1
1 343 . 4 1 1 A 48 48 ASP CB C 48 40.422 29.037 11.385 1
1 344 . 4 1 1 A 48 48 ASP N N 48 122.433 119.057 3.376 1
1 345 . 4 1 1 A 49 49 PHE H H 49 9.328 8.719 0.609 1
1 346 . 4 1 1 A 49 49 PHE HA H 49 3.820 4.631 -0.811 1
1 351 . 4 1 1 A 49 49 PHE CA C 49 62.071 60.752 1.319 1
1 352 . 4 1 1 A 49 49 PHE CB C 49 39.041 41.547 -2.506 1
1 353 . 4 1 1 A 49 49 PHE N N 49 120.502 118.881 1.621 1
1 354 . 4 1 1 A 50 50 ASP H H 50 8.603 8.466 0.137 1
1 355 . 4 1 1 A 50 50 ASP HA H 50 3.855 4.809 -0.954 1
1 358 . 4 1 1 A 50 50 ASP CA C 50 57.655 55.861 1.794 1
1 359 . 4 1 1 A 50 50 ASP CB C 50 41.246 40.483 0.763 1
1 360 . 4 1 1 A 50 50 ASP N N 50 120.706 119.885 0.821 1
1 361 . 4 1 1 A 51 51 ALA H H 51 7.510 8.022 -0.512 1
1 362 . 4 1 1 A 51 51 ALA HA H 51 3.982 4.648 -0.666 1
1 366 . 4 1 1 A 51 51 ALA CA C 51 56.311 56.444 -0.133 1
1 367 . 4 1 1 A 51 51 ALA CB C 51 18.201 30.881 -12.680 1
1 368 . 4 1 1 A 51 51 ALA N N 51 117.499 117.458 0.041 1
1 369 . 4 1 1 A 52 52 GLU H H 52 7.604 8.112 -0.508 1
1 370 . 4 1 1 A 52 52 GLU HA H 52 3.941 4.261 -0.320 1
1 374 . 4 1 1 A 52 52 GLU CA C 52 59.294 60.724 -1.430 1
1 375 . 4 1 1 A 52 52 GLU CB C 52 29.581 39.013 -9.432 1
1 377 . 4 1 1 A 52 52 GLU N N 52 118.979 120.362 -1.383 1
1 378 . 4 1 1 A 53 53 CYS H H 53 9.106 7.779 1.327 1
1 379 . 4 1 1 A 53 53 CYS HA H 53 3.502 3.610 -0.108 1
1 382 . 4 1 1 A 53 53 CYS CA C 53 60.943 64.714 -3.771 1
1 383 . 4 1 1 A 53 53 CYS CB C 53 37.388 31.435 5.953 1
1 384 . 4 1 1 A 53 53 CYS N N 53 120.292 116.994 3.298 1
1 385 . 4 1 1 A 54 54 LYS H H 54 7.888 7.757 0.131 1
1 386 . 4 1 1 A 54 54 LYS HA H 54 3.634 4.922 -1.288 1
1 394 . 4 1 1 A 54 54 LYS CA C 54 60.379 51.986 8.393 1
1 395 . 4 1 1 A 54 54 LYS CB C 54 32.093 38.983 -6.890 1
1 399 . 4 1 1 A 54 54 LYS N N 54 117.499 120.881 -3.382 1
1 400 . 4 1 1 A 55 55 LYS H H 55 7.300 7.712 -0.412 1
1 401 . 4 1 1 A 55 55 LYS HA H 55 4.028 4.638 -0.610 1
1 408 . 4 1 1 A 55 55 LYS CA C 55 59.571 58.720 0.851 1
1 409 . 4 1 1 A 55 55 LYS CB C 55 32.647 65.870 -33.223 1
1 412 . 4 1 1 A 55 55 LYS N N 55 120.213 117.081 3.132 1
1 413 . 4 1 1 A 56 56 LEU H H 56 8.074 7.885 0.189 1
1 414 . 4 1 1 A 56 56 LEU HA H 56 3.848 4.391 -0.543 1
1 424 . 4 1 1 A 56 56 LEU CA C 56 57.354 55.041 2.313 1
1 425 . 4 1 1 A 56 56 LEU CB C 56 41.816 32.919 8.897 1
1 429 . 4 1 1 A 56 56 LEU N N 56 119.719 116.911 2.808 1
1 430 . 4 1 1 A 57 57 PHE H H 57 8.054 7.549 0.505 1
1 431 . 4 1 1 A 57 57 PHE HA H 57 4.983 3.649 1.334 1
1 436 . 4 1 1 A 57 57 PHE CA C 57 56.470 65.160 -8.690 1
1 437 . 4 1 1 A 57 57 PHE CB C 57 37.916 31.856 6.060 1
1 438 . 4 1 1 A 57 57 PHE N N 57 113.798 118.038 -4.240 1
1 439 . 4 1 1 A 58 58 HIS H H 58 7.523 8.359 -0.836 1
1 440 . 4 1 1 A 58 58 HIS HA H 58 4.448 4.320 0.128 1
1 443 . 4 1 1 A 58 58 HIS CA C 58 59.037 59.199 -0.162 1
1 444 . 4 1 1 A 58 58 HIS CB C 58 27.942 38.162 -10.220 1
1 445 . 4 1 1 A 58 58 HIS N N 58 116.758 120.654 -3.896 1
1 447 . 4 1 1 A 59 59 THR HA H 59 4.085 4.025 0.060 1
1 452 . 4 1 1 A 59 59 THR CA C 59 62.033 65.710 -3.677 1
1 453 . 4 1 1 A 59 59 THR CB C 59 68.425 30.588 37.837 1
1 455 . 4 1 1 A 59 59 THR N N 59 108.123 134.883 -26.760 1
1 456 . 4 1 1 A 60 60 ILE H H 60 7.540 7.208 0.332 1
1 457 . 4 1 1 A 60 60 ILE HA H 60 4.444 3.728 0.716 1
1 467 . 4 1 1 A 60 60 ILE CA C 60 58.167 64.743 -6.576 1
1 468 . 4 1 1 A 60 60 ILE CB C 60 38.745 37.838 0.907 1
1 472 . 4 1 1 A 60 60 ILE N N 60 124.900 116.570 8.330 1
1 473 . 4 1 1 A 61 61 PRO HA H 61 4.105 4.040 0.065 1
1 480 . 4 1 1 A 61 61 PRO CA C 61 64.800 64.815 -0.015 1
1 481 . 4 1 1 A 61 61 PRO CB C 61 31.271 37.321 -6.050 1
1 484 . 4 1 1 A 62 62 PHE HA H 62 4.560 4.364 0.196 1
1 487 . 4 1 1 A 62 62 PHE CA C 62 58.476 59.201 -0.725 1
1 488 . 4 1 1 A 62 62 PHE CB C 62 37.121 29.197 7.924 1
1 489 . 4 1 1 A 63 63 GLY H H 63 8.543 8.847 -0.304 1
1 492 . 4 1 1 A 63 63 GLY CA C 63 47.897 58.968 -11.071 1
1 493 . 4 1 1 A 63 63 GLY N N 63 110.590 121.265 -10.675 1
1 494 . 4 1 1 A 64 64 THR H H 64 8.513 8.170 0.343 1
1 495 . 4 1 1 A 64 64 THR HA H 64 4.206 4.379 -0.173 1
1 500 . 4 1 1 A 64 64 THR CA C 64 67.646 57.621 10.025 1
1 501 . 4 1 1 A 64 64 THR CB C 64 67.349 40.692 26.657 1
1 503 . 4 1 1 A 64 64 THR N N 64 114.538 119.749 -5.211 1
1 504 . 4 1 1 A 65 65 ARG H H 65 7.519 8.367 -0.848 1
1 505 . 4 1 1 A 65 65 ARG HA H 65 4.177 4.152 0.025 1
1 512 . 4 1 1 A 65 65 ARG CA C 65 55.799 59.553 -3.754 1
1 513 . 4 1 1 A 65 65 ARG CB C 65 30.146 29.158 0.988 1
1 516 . 4 1 1 A 65 65 ARG N N 65 121.940 119.996 1.944 1
1 517 . 4 1 1 A 66 66 GLU H H 66 8.453 7.862 0.591 1
1 523 . 4 1 1 A 66 66 GLU CA C 66 58.981 47.076 11.905 1
1 526 . 4 1 1 A 66 66 GLU N N 66 120.459 108.975 11.484 1
1 527 . 4 1 1 A 67 67 CYS H H 67 8.467 7.674 0.793 1
1 531 . 4 1 1 A 67 67 CYS CA C 67 59.277 45.017 14.260 1
1 533 . 4 1 1 A 67 67 CYS N N 67 121.446 105.443 16.003 1
1 534 . 4 1 1 A 68 68 ASP H H 68 8.002 8.037 -0.035 1
1 535 . 4 1 1 A 68 68 ASP HA H 68 4.514 4.566 -0.052 1
1 538 . 4 1 1 A 68 68 ASP CA C 68 57.902 61.198 -3.296 1
1 539 . 4 1 1 A 68 68 ASP CB C 68 40.393 71.230 -30.837 1
1 540 . 4 1 1 A 68 68 ASP N N 68 120.459 115.292 5.167 1
1 541 . 4 1 1 A 69 69 HIS H H 69 8.564 8.678 -0.114 1
1 542 . 4 1 1 A 69 69 HIS HA H 69 4.510 4.550 -0.040 1
1 545 . 4 1 1 A 69 69 HIS CA C 69 58.127 51.036 7.091 1
1 546 . 4 1 1 A 69 69 HIS CB C 69 28.480 18.787 9.693 1
1 547 . 4 1 1 A 69 69 HIS N N 69 119.246 128.515 -9.269 1
1 549 . 4 1 1 A 70 70 TYR HA H 70 3.706 4.532 -0.826 1
1 553 . 4 1 1 A 70 70 TYR CA C 70 63.989 64.324 -0.335 1
1 554 . 4 1 1 A 70 70 TYR CB C 70 40.145 31.907 8.238 1
1 555 . 4 1 1 A 70 70 TYR N N 70 125.887 133.658 -7.771 1
1 556 . 4 1 1 A 71 71 VAL H H 71 8.295 8.733 -0.438 1
1 557 . 4 1 1 A 71 71 VAL HA H 71 3.554 4.242 -0.688 1
1 565 . 4 1 1 A 71 71 VAL CA C 71 67.021 57.273 9.748 1
1 566 . 4 1 1 A 71 71 VAL CB C 71 32.084 32.787 -0.703 1
1 569 . 4 1 1 A 71 71 VAL N N 71 118.239 115.635 2.604 1
1 570 . 4 1 1 A 72 72 ASN H H 72 7.511 8.074 -0.563 1
1 571 . 4 1 1 A 72 72 ASN HA H 72 4.558 4.684 -0.126 1
1 574 . 4 1 1 A 72 72 ASN CA C 72 55.116 55.963 -0.847 1
1 575 . 4 1 1 A 72 72 ASN CB C 72 39.569 41.507 -1.938 1
1 576 . 4 1 1 A 72 72 ASN N N 72 116.018 118.827 -2.809 1
1 577 . 4 1 1 A 73 73 SER H H 73 7.709 8.003 -0.294 1
1 578 . 4 1 1 A 73 73 SER HA H 73 4.633 3.757 0.876 1
1 581 . 4 1 1 A 73 73 SER CA C 73 59.832 66.903 -7.071 1
1 582 . 4 1 1 A 73 73 SER CB C 73 65.899 31.418 34.481 1
1 583 . 4 1 1 A 73 73 SER N N 73 110.837 119.743 -8.906 1
1 584 . 4 1 1 A 74 74 LYS H H 74 7.942 7.970 -0.028 1
1 585 . 4 1 1 A 74 74 LYS HA H 74 4.280 4.757 -0.477 1
1 593 . 4 1 1 A 74 74 LYS CA C 74 55.124 56.050 -0.926 1
1 594 . 4 1 1 A 74 74 LYS CB C 74 33.198 41.103 -7.905 1
1 598 . 4 1 1 A 74 74 LYS N N 74 120.706 115.719 4.987 1
1 599 . 4 1 1 A 75 75 VAL H H 75 7.227 8.410 -1.183 1
1 600 . 4 1 1 A 75 75 VAL HA H 75 3.315 4.624 -1.309 1
1 608 . 4 1 1 A 75 75 VAL CA C 75 67.599 63.673 3.926 1
1 609 . 4 1 1 A 75 75 VAL CB C 75 31.540 70.403 -38.863 1
1 612 . 4 1 1 A 75 75 VAL N N 75 120.147 115.369 4.778 1
1 613 . 4 1 1 A 76 76 ASP H H 76 8.851 7.907 0.944 1
1 614 . 4 1 1 A 76 76 ASP HA H 76 4.402 4.140 0.262 1
1 617 . 4 1 1 A 76 76 ASP CA C 76 59.568 59.071 0.497 1
1 618 . 4 1 1 A 76 76 ASP CB C 76 37.667 32.114 5.553 1
1 619 . 4 1 1 A 76 76 ASP N N 76 117.992 121.121 -3.129 1
1 620 . 4 1 1 A 77 77 PRO HA H 77 4.158 4.274 -0.116 1
1 626 . 4 1 1 A 77 77 PRO CA C 77 66.237 55.131 11.106 1
1 627 . 4 1 1 A 77 77 PRO CB C 77 31.347 42.082 -10.735 1
1 630 . 4 1 1 A 78 78 ILE H H 78 7.243 8.180 -0.937 1
1 631 . 4 1 1 A 78 78 ILE HA H 78 3.315 4.419 -1.104 1
1 641 . 4 1 1 A 78 78 ILE CA C 78 65.957 54.745 11.212 1
1 642 . 4 1 1 A 78 78 ILE CB C 78 38.787 38.264 0.523 1
1 646 . 4 1 1 A 78 78 ILE N N 78 119.472 116.454 3.018 1
1 647 . 4 1 1 A 79 79 ILE H H 79 8.180 8.430 -0.250 1
1 648 . 4 1 1 A 79 79 ILE HA H 79 3.218 4.325 -1.107 1
1 658 . 4 1 1 A 79 79 ILE CA C 79 65.939 56.298 9.641 1
1 659 . 4 1 1 A 79 79 ILE CB C 79 37.344 28.971 8.373 1
1 663 . 4 1 1 A 79 79 ILE N N 79 119.472 115.774 3.698 1
1 664 . 4 1 1 A 80 80 HIS H H 80 8.671 7.843 0.828 1
1 665 . 4 1 1 A 80 80 HIS HA H 80 4.351 4.921 -0.570 1
1 670 . 4 1 1 A 80 80 HIS CA C 80 58.731 55.622 3.109 1
1 671 . 4 1 1 A 80 80 HIS CB C 80 27.913 45.946 -18.033 1
1 672 . 4 1 1 A 80 80 HIS N N 80 117.252 116.918 0.334 1
1 1 . 5 1 1 A 12 12 SER H H 12 8.509 8.196 0.313 1
1 2 . 5 1 1 A 12 12 SER HA H 12 4.430 4.035 0.395 1
1 4 . 5 1 1 A 12 12 SER N N 12 118.485 116.289 2.196 1
1 5 . 5 1 1 A 13 13 GLY H H 13 8.404 8.058 0.346 1
1 7 . 5 1 1 A 13 13 GLY N N 13 111.084 118.825 -7.741 1
1 8 . 5 1 1 A 14 14 ILE H H 14 8.006 8.239 -0.233 1
1 9 . 5 1 1 A 14 14 ILE HA H 14 4.086 4.023 0.063 1
1 14 . 5 1 1 A 14 14 ILE N N 14 119.966 122.394 -2.428 1
1 15 . 5 1 1 A 15 15 GLU H H 15 8.528 7.619 0.909 1
1 16 . 5 1 1 A 15 15 GLU HA H 15 4.197 4.135 0.062 1
1 19 . 5 1 1 A 15 15 GLU N N 15 124.654 118.870 5.784 1
1 20 . 5 1 1 A 16 16 GLY H H 16 8.343 8.657 -0.314 1
1 22 . 5 1 1 A 16 16 GLY N N 16 110.097 121.629 -11.532 1
1 23 . 5 1 1 A 17 17 ARG H H 17 8.143 8.688 -0.545 1
1 24 . 5 1 1 A 17 17 ARG HA H 17 4.319 3.862 0.457 1
1 28 . 5 1 1 A 17 17 ARG N N 17 120.459 118.294 2.165 1
1 29 . 5 1 1 A 18 18 GLY H H 18 8.477 8.060 0.417 1
1 30 . 5 1 1 A 18 18 GLY HA2 H 18 3.894 4.165 -0.271 1
1 31 . 5 1 1 A 18 18 GLY N N 18 110.097 107.715 2.382 1
1 32 . 5 1 1 A 19 19 ARG H H 19 8.105 8.305 -0.200 1
1 33 . 5 1 1 A 19 19 ARG HA H 19 4.283 4.482 -0.199 1
1 38 . 5 1 1 A 19 19 ARG CA C 19 56.218 61.122 -4.904 1
1 39 . 5 1 1 A 19 19 ARG CB C 19 30.987 64.164 -33.177 1
1 42 . 5 1 1 A 19 19 ARG N N 19 120.706 115.560 5.146 1
1 43 . 5 1 1 A 20 20 SER H H 20 8.553 7.941 0.612 1
1 44 . 5 1 1 A 20 20 SER HA H 20 4.432 4.247 0.185 1
1 47 . 5 1 1 A 20 20 SER CA C 20 58.189 54.200 3.989 1
1 48 . 5 1 1 A 20 20 SER CB C 20 63.967 18.213 45.754 1
1 49 . 5 1 1 A 20 20 SER N N 20 117.992 121.829 -3.837 1
1 50 . 5 1 1 A 21 21 ALA H H 21 8.233 8.095 0.138 1
1 51 . 5 1 1 A 21 21 ALA HA H 21 4.167 4.710 -0.543 1
1 55 . 5 1 1 A 21 21 ALA CA C 21 53.662 53.762 -0.100 1
1 56 . 5 1 1 A 21 21 ALA CB C 21 18.745 41.733 -22.988 1
1 57 . 5 1 1 A 21 21 ALA N N 21 126.792 116.881 9.911 1
1 58 . 5 1 1 A 22 22 LEU H H 22 8.402 7.894 0.508 1
1 59 . 5 1 1 A 22 22 LEU HA H 22 4.036 3.917 0.119 1
1 66 . 5 1 1 A 22 22 LEU CA C 22 55.382 57.339 -1.957 1
1 67 . 5 1 1 A 22 22 LEU CB C 22 42.077 29.771 12.306 1
1 70 . 5 1 1 A 22 22 LEU N N 22 121.062 117.128 3.934 1
1 71 . 5 1 1 A 23 23 SER H H 23 8.155 7.964 0.191 1
1 72 . 5 1 1 A 23 23 SER HA H 23 3.913 4.913 -1.000 1
1 75 . 5 1 1 A 23 23 SER CA C 23 63.166 52.914 10.252 1
1 76 . 5 1 1 A 23 23 SER CB C 23 62.894 42.471 20.423 1
1 77 . 5 1 1 A 23 23 SER N N 23 114.448 119.000 -4.552 1
1 78 . 5 1 1 A 24 24 CYS H H 24 7.630 8.902 -1.272 1
1 79 . 5 1 1 A 24 24 CYS HA H 24 4.389 3.883 0.506 1
1 82 . 5 1 1 A 24 24 CYS CB C 24 37.631 18.416 19.215 1
1 83 . 5 1 1 A 24 24 CYS N N 24 120.980 127.852 -6.872 1
1 84 . 5 1 1 A 25 25 GLN H H 25 8.056 7.798 0.258 1
1 85 . 5 1 1 A 25 25 GLN HA H 25 4.031 4.561 -0.530 1
1 91 . 5 1 1 A 25 25 GLN CA C 25 59.555 55.672 3.883 1
1 92 . 5 1 1 A 25 25 GLN CB C 25 30.148 38.702 -8.554 1
1 94 . 5 1 1 A 25 25 GLN N N 25 118.033 116.820 1.213 1
1 96 . 5 1 1 A 26 26 MET H H 26 8.246 7.864 0.382 1
1 97 . 5 1 1 A 26 26 MET HA H 26 3.889 3.878 0.011 1
1 105 . 5 1 1 A 26 26 MET CA C 26 61.790 65.474 -3.684 1
1 106 . 5 1 1 A 26 26 MET CB C 26 35.426 31.348 4.078 1
1 109 . 5 1 1 A 26 26 MET N N 26 118.732 118.375 0.357 1
1 110 . 5 1 1 A 27 27 CYS H H 27 8.415 7.381 1.034 1
1 111 . 5 1 1 A 27 27 CYS HA H 27 4.100 3.936 0.164 1
1 114 . 5 1 1 A 27 27 CYS CA C 27 61.807 64.248 -2.441 1
1 115 . 5 1 1 A 27 27 CYS CB C 27 42.874 37.560 5.314 1
1 116 . 5 1 1 A 27 27 CYS N N 27 121.237 121.729 -0.492 1
1 117 . 5 1 1 A 28 28 GLU H H 28 8.581 8.136 0.445 1
1 118 . 5 1 1 A 28 28 GLU HA H 28 3.974 4.099 -0.125 1
1 123 . 5 1 1 A 28 28 GLU CA C 28 59.558 59.320 0.238 1
1 125 . 5 1 1 A 28 28 GLU N N 28 118.019 120.629 -2.610 1
1 126 . 5 1 1 A 29 29 LEU H H 29 7.881 7.546 0.335 1
1 127 . 5 1 1 A 29 29 LEU HA H 29 4.346 4.145 0.201 1
1 137 . 5 1 1 A 29 29 LEU CA C 29 57.877 59.838 -1.961 1
1 138 . 5 1 1 A 29 29 LEU CB C 29 42.067 32.391 9.676 1
1 142 . 5 1 1 A 29 29 LEU N N 29 122.680 119.776 2.904 1
1 143 . 5 1 1 A 30 30 VAL H H 30 8.251 8.310 -0.059 1
1 144 . 5 1 1 A 30 30 VAL HA H 30 3.315 4.318 -1.003 1
1 152 . 5 1 1 A 30 30 VAL CA C 30 64.085 57.336 6.749 1
1 153 . 5 1 1 A 30 30 VAL CB C 30 32.374 40.604 -8.230 1
1 156 . 5 1 1 A 30 30 VAL N N 30 120.953 119.660 1.293 1
1 157 . 5 1 1 A 31 31 VAL H H 31 8.071 8.492 -0.421 1
1 158 . 5 1 1 A 31 31 VAL HA H 31 3.340 4.023 -0.683 1
1 166 . 5 1 1 A 31 31 VAL CA C 31 67.602 62.244 5.358 1
1 167 . 5 1 1 A 31 31 VAL CB C 31 31.803 39.087 -7.284 1
1 170 . 5 1 1 A 31 31 VAL N N 31 118.979 120.939 -1.960 1
1 171 . 5 1 1 A 32 32 LYS H H 32 8.088 8.424 -0.336 1
1 172 . 5 1 1 A 32 32 LYS HA H 32 4.096 4.562 -0.466 1
1 178 . 5 1 1 A 32 32 LYS CA C 32 59.838 57.338 2.500 1
1 179 . 5 1 1 A 32 32 LYS CB C 32 32.651 41.755 -9.104 1
1 183 . 5 1 1 A 32 32 LYS N N 32 119.226 119.511 -0.285 1
1 184 . 5 1 1 A 33 33 LYS H H 33 8.460 8.541 -0.081 1
1 185 . 5 1 1 A 33 33 LYS HA H 33 4.176 3.962 0.214 1
1 194 . 5 1 1 A 33 33 LYS CA C 33 57.066 55.465 1.601 1
1 195 . 5 1 1 A 33 33 LYS CB C 33 31.540 18.777 12.763 1
1 199 . 5 1 1 A 33 33 LYS N N 33 118.868 121.453 -2.585 1
1 200 . 5 1 1 A 34 34 TYR H H 34 8.966 8.572 0.394 1
1 201 . 5 1 1 A 34 34 TYR HA H 34 3.935 3.941 -0.006 1
1 205 . 5 1 1 A 34 34 TYR CA C 34 62.301 59.196 3.105 1
1 206 . 5 1 1 A 34 34 TYR CB C 34 39.007 28.875 10.132 1
1 207 . 5 1 1 A 34 34 TYR N N 34 121.940 117.808 4.132 1
1 208 . 5 1 1 A 35 35 GLU H H 35 8.980 8.053 0.927 1
1 209 . 5 1 1 A 35 35 GLU HA H 35 3.898 3.854 0.044 1
1 214 . 5 1 1 A 35 35 GLU CA C 35 58.979 59.550 -0.571 1
1 215 . 5 1 1 A 35 35 GLU CB C 35 29.876 40.930 -11.054 1
1 217 . 5 1 1 A 35 35 GLU N N 35 118.239 118.287 -0.048 1
1 218 . 5 1 1 A 36 36 GLY H H 36 7.696 8.088 -0.392 1
1 221 . 5 1 1 A 36 36 GLY CA C 36 45.055 59.600 -14.545 1
1 222 . 5 1 1 A 36 36 GLY N N 36 103.730 119.672 -15.942 1
1 223 . 5 1 1 A 37 37 SER H H 37 6.977 7.617 -0.640 1
1 224 . 5 1 1 A 37 37 SER HA H 37 4.364 4.341 0.023 1
1 227 . 5 1 1 A 37 37 SER CA C 37 57.087 58.822 -1.735 1
1 228 . 5 1 1 A 37 37 SER CB C 37 63.450 32.971 30.479 1
1 229 . 5 1 1 A 37 37 SER N N 37 115.525 119.880 -4.355 1
1 230 . 5 1 1 A 38 38 ALA H H 38 8.918 9.418 -0.500 1
1 231 . 5 1 1 A 38 38 ALA HA H 38 4.153 4.053 0.100 1
1 235 . 5 1 1 A 38 38 ALA CA C 38 54.285 58.317 -4.032 1
1 236 . 5 1 1 A 38 38 ALA CB C 38 18.784 41.230 -22.446 1
1 237 . 5 1 1 A 38 38 ALA N N 38 131.315 120.201 11.114 1
1 238 . 5 1 1 A 39 39 ASP H H 39 7.712 9.621 -1.909 1
1 239 . 5 1 1 A 39 39 ASP HA H 39 4.578 4.901 -0.323 1
1 242 . 5 1 1 A 39 39 ASP CA C 39 52.907 56.865 -3.958 1
1 243 . 5 1 1 A 39 39 ASP CB C 39 41.519 38.207 3.312 1
1 244 . 5 1 1 A 39 39 ASP N N 39 114.785 115.108 -0.323 1
1 245 . 5 1 1 A 40 40 LYS H H 40 8.386 8.393 -0.007 1
1 246 . 5 1 1 A 40 40 LYS HA H 40 3.604 4.590 -0.986 1
1 255 . 5 1 1 A 40 40 LYS CA C 40 54.835 58.635 -3.800 1
1 256 . 5 1 1 A 40 40 LYS CB C 40 29.039 28.751 0.288 1
1 260 . 5 1 1 A 40 40 LYS N N 40 119.226 117.621 1.605 1
1 261 . 5 1 1 A 41 41 ASP H H 41 7.523 7.343 0.180 1
1 262 . 5 1 1 A 41 41 ASP HA H 41 4.376 3.949 0.427 1
1 265 . 5 1 1 A 41 41 ASP CA C 41 54.330 63.806 -9.476 1
1 266 . 5 1 1 A 41 41 ASP CB C 41 42.108 68.961 -26.853 1
1 267 . 5 1 1 A 41 41 ASP N N 41 119.226 109.956 9.270 1
1 268 . 5 1 1 A 42 42 ALA H H 42 9.017 7.438 1.579 1
1 269 . 5 1 1 A 42 42 ALA HA H 42 3.860 3.829 0.031 1
1 273 . 5 1 1 A 42 42 ALA CA C 42 55.680 60.238 -4.558 1
1 274 . 5 1 1 A 42 42 ALA CB C 42 19.315 37.129 -17.814 1
1 275 . 5 1 1 A 42 42 ALA N N 42 130.822 123.937 6.885 1
1 277 . 5 1 1 A 43 43 ASN HA H 43 4.386 4.244 0.142 1
1 280 . 5 1 1 A 43 43 ASN CA C 43 56.511 65.016 -8.505 1
1 281 . 5 1 1 A 43 43 ASN CB C 43 38.255 31.574 6.681 1
1 282 . 5 1 1 A 43 43 ASN N N 43 114.785 140.452 -25.667 1
1 283 . 5 1 1 A 44 44 VAL H H 44 7.510 7.256 0.254 1
1 284 . 5 1 1 A 44 44 VAL HA H 44 3.601 4.694 -1.093 1
1 292 . 5 1 1 A 44 44 VAL CA C 44 66.228 56.638 9.590 1
1 293 . 5 1 1 A 44 44 VAL CB C 44 33.117 38.880 -5.763 1
1 296 . 5 1 1 A 44 44 VAL N N 44 123.173 114.426 8.747 1
1 297 . 5 1 1 A 45 45 ILE H H 45 8.084 8.489 -0.405 1
1 308 . 5 1 1 A 45 45 ILE CA C 45 65.113 47.146 17.967 1
1 313 . 5 1 1 A 45 45 ILE N N 45 120.213 109.277 10.936 1
1 314 . 5 1 1 A 46 46 LYS H H 46 8.393 8.329 0.064 1
1 315 . 5 1 1 A 46 46 LYS HA H 46 3.809 4.147 -0.338 1
1 320 . 5 1 1 A 46 46 LYS CA C 46 62.030 65.473 -3.443 1
1 321 . 5 1 1 A 46 46 LYS CB C 46 32.915 68.062 -35.147 1
1 324 . 5 1 1 A 46 46 LYS N N 46 118.239 116.199 2.040 1
1 325 . 5 1 1 A 47 47 LYS H H 47 7.469 8.134 -0.665 1
1 326 . 5 1 1 A 47 47 LYS HA H 47 4.128 4.120 0.008 1
1 332 . 5 1 1 A 47 47 LYS CA C 47 59.824 59.755 0.069 1
1 333 . 5 1 1 A 47 47 LYS CB C 47 32.656 30.268 2.388 1
1 337 . 5 1 1 A 47 47 LYS N N 47 119.719 123.086 -3.367 1
1 338 . 5 1 1 A 48 48 ASP H H 48 8.697 8.600 0.097 1
1 339 . 5 1 1 A 48 48 ASP HA H 48 4.483 4.183 0.300 1
1 342 . 5 1 1 A 48 48 ASP CA C 48 57.054 59.420 -2.366 1
1 343 . 5 1 1 A 48 48 ASP CB C 48 40.422 29.135 11.287 1
1 344 . 5 1 1 A 48 48 ASP N N 48 122.433 118.849 3.584 1
1 345 . 5 1 1 A 49 49 PHE H H 49 9.328 8.349 0.979 1
1 346 . 5 1 1 A 49 49 PHE HA H 49 3.820 4.686 -0.866 1
1 351 . 5 1 1 A 49 49 PHE CA C 49 62.071 59.584 2.487 1
1 352 . 5 1 1 A 49 49 PHE CB C 49 39.041 42.124 -3.083 1
1 353 . 5 1 1 A 49 49 PHE N N 49 120.502 118.639 1.863 1
1 354 . 5 1 1 A 50 50 ASP H H 50 8.603 8.579 0.024 1
1 355 . 5 1 1 A 50 50 ASP HA H 50 3.855 4.550 -0.695 1
1 358 . 5 1 1 A 50 50 ASP CA C 50 57.655 56.495 1.160 1
1 359 . 5 1 1 A 50 50 ASP CB C 50 41.246 40.729 0.517 1
1 360 . 5 1 1 A 50 50 ASP N N 50 120.706 121.913 -1.207 1
1 361 . 5 1 1 A 51 51 ALA H H 51 7.510 7.840 -0.330 1
1 362 . 5 1 1 A 51 51 ALA HA H 51 3.982 4.580 -0.598 1
1 366 . 5 1 1 A 51 51 ALA CA C 51 56.311 56.867 -0.556 1
1 367 . 5 1 1 A 51 51 ALA CB C 51 18.201 30.167 -11.966 1
1 368 . 5 1 1 A 51 51 ALA N N 51 117.499 119.439 -1.940 1
1 369 . 5 1 1 A 52 52 GLU H H 52 7.604 8.768 -1.164 1
1 370 . 5 1 1 A 52 52 GLU HA H 52 3.941 4.271 -0.330 1
1 374 . 5 1 1 A 52 52 GLU CA C 52 59.294 60.723 -1.429 1
1 375 . 5 1 1 A 52 52 GLU CB C 52 29.581 39.206 -9.625 1
1 377 . 5 1 1 A 52 52 GLU N N 52 118.979 120.402 -1.423 1
1 378 . 5 1 1 A 53 53 CYS H H 53 9.106 8.155 0.951 1
1 379 . 5 1 1 A 53 53 CYS HA H 53 3.502 3.663 -0.161 1
1 382 . 5 1 1 A 53 53 CYS CA C 53 60.943 64.766 -3.823 1
1 383 . 5 1 1 A 53 53 CYS CB C 53 37.388 31.501 5.887 1
1 384 . 5 1 1 A 53 53 CYS N N 53 120.292 117.024 3.268 1
1 385 . 5 1 1 A 54 54 LYS H H 54 7.888 7.755 0.133 1
1 386 . 5 1 1 A 54 54 LYS HA H 54 3.634 4.956 -1.322 1
1 394 . 5 1 1 A 54 54 LYS CA C 54 60.379 51.933 8.446 1
1 395 . 5 1 1 A 54 54 LYS CB C 54 32.093 39.245 -7.152 1
1 399 . 5 1 1 A 54 54 LYS N N 54 117.499 120.509 -3.010 1
1 400 . 5 1 1 A 55 55 LYS H H 55 7.300 7.994 -0.694 1
1 401 . 5 1 1 A 55 55 LYS HA H 55 4.028 4.603 -0.575 1
1 408 . 5 1 1 A 55 55 LYS CA C 55 59.571 59.174 0.397 1
1 409 . 5 1 1 A 55 55 LYS CB C 55 32.647 65.813 -33.166 1
1 412 . 5 1 1 A 55 55 LYS N N 55 120.213 119.983 0.230 1
1 413 . 5 1 1 A 56 56 LEU H H 56 8.074 7.834 0.240 1
1 414 . 5 1 1 A 56 56 LEU HA H 56 3.848 4.357 -0.509 1
1 424 . 5 1 1 A 56 56 LEU CA C 56 57.354 55.025 2.329 1
1 425 . 5 1 1 A 56 56 LEU CB C 56 41.816 33.105 8.711 1
1 429 . 5 1 1 A 56 56 LEU N N 56 119.719 117.828 1.891 1
1 430 . 5 1 1 A 57 57 PHE H H 57 8.054 7.624 0.430 1
1 431 . 5 1 1 A 57 57 PHE HA H 57 4.983 3.697 1.286 1
1 436 . 5 1 1 A 57 57 PHE CA C 57 56.470 65.146 -8.676 1
1 437 . 5 1 1 A 57 57 PHE CB C 57 37.916 31.715 6.201 1
1 438 . 5 1 1 A 57 57 PHE N N 57 113.798 118.079 -4.281 1
1 439 . 5 1 1 A 58 58 HIS H H 58 7.523 8.278 -0.755 1
1 440 . 5 1 1 A 58 58 HIS HA H 58 4.448 4.315 0.133 1
1 443 . 5 1 1 A 58 58 HIS CA C 58 59.037 59.169 -0.132 1
1 444 . 5 1 1 A 58 58 HIS CB C 58 27.942 38.233 -10.291 1
1 445 . 5 1 1 A 58 58 HIS N N 58 116.758 120.548 -3.790 1
1 447 . 5 1 1 A 59 59 THR HA H 59 4.085 3.993 0.092 1
1 452 . 5 1 1 A 59 59 THR CA C 59 62.033 65.559 -3.526 1
1 453 . 5 1 1 A 59 59 THR CB C 59 68.425 30.355 38.070 1
1 455 . 5 1 1 A 59 59 THR N N 59 108.123 134.742 -26.619 1
1 456 . 5 1 1 A 60 60 ILE H H 60 7.540 7.142 0.398 1
1 457 . 5 1 1 A 60 60 ILE HA H 60 4.444 3.739 0.705 1
1 467 . 5 1 1 A 60 60 ILE CA C 60 58.167 64.787 -6.620 1
1 468 . 5 1 1 A 60 60 ILE CB C 60 38.745 37.921 0.824 1
1 472 . 5 1 1 A 60 60 ILE N N 60 124.900 116.272 8.628 1
1 473 . 5 1 1 A 61 61 PRO HA H 61 4.105 4.013 0.092 1
1 480 . 5 1 1 A 61 61 PRO CA C 61 64.800 64.945 -0.145 1
1 481 . 5 1 1 A 61 61 PRO CB C 61 31.271 37.219 -5.948 1
1 484 . 5 1 1 A 62 62 PHE HA H 62 4.560 4.412 0.148 1
1 487 . 5 1 1 A 62 62 PHE CA C 62 58.476 58.623 -0.147 1
1 488 . 5 1 1 A 62 62 PHE CB C 62 37.121 28.373 8.748 1
1 489 . 5 1 1 A 63 63 GLY H H 63 8.543 8.685 -0.142 1
1 492 . 5 1 1 A 63 63 GLY CA C 63 47.897 58.465 -10.568 1
1 493 . 5 1 1 A 63 63 GLY N N 63 110.590 121.566 -10.976 1
1 494 . 5 1 1 A 64 64 THR H H 64 8.513 8.178 0.335 1
1 495 . 5 1 1 A 64 64 THR HA H 64 4.206 4.329 -0.123 1
1 500 . 5 1 1 A 64 64 THR CA C 64 67.646 57.985 9.661 1
1 501 . 5 1 1 A 64 64 THR CB C 64 67.349 41.351 25.998 1
1 503 . 5 1 1 A 64 64 THR N N 64 114.538 120.069 -5.531 1
1 504 . 5 1 1 A 65 65 ARG H H 65 7.519 9.340 -1.821 1
1 505 . 5 1 1 A 65 65 ARG HA H 65 4.177 4.128 0.049 1
1 512 . 5 1 1 A 65 65 ARG CA C 65 55.799 58.872 -3.073 1
1 513 . 5 1 1 A 65 65 ARG CB C 65 30.146 28.942 1.204 1
1 516 . 5 1 1 A 65 65 ARG N N 65 121.940 118.040 3.900 1
1 517 . 5 1 1 A 66 66 GLU H H 66 8.453 8.149 0.304 1
1 523 . 5 1 1 A 66 66 GLU CA C 66 58.981 46.983 11.998 1
1 526 . 5 1 1 A 66 66 GLU N N 66 120.459 108.713 11.746 1
1 527 . 5 1 1 A 67 67 CYS H H 67 8.467 7.867 0.600 1
1 531 . 5 1 1 A 67 67 CYS CA C 67 59.277 45.298 13.979 1
1 533 . 5 1 1 A 67 67 CYS N N 67 121.446 106.213 15.233 1
1 534 . 5 1 1 A 68 68 ASP H H 68 8.002 7.520 0.482 1
1 535 . 5 1 1 A 68 68 ASP HA H 68 4.514 4.185 0.329 1
1 538 . 5 1 1 A 68 68 ASP CA C 68 57.902 62.747 -4.845 1
1 539 . 5 1 1 A 68 68 ASP CB C 68 40.393 69.407 -29.014 1
1 540 . 5 1 1 A 68 68 ASP N N 68 120.459 115.616 4.843 1
1 541 . 5 1 1 A 69 69 HIS H H 69 8.564 8.701 -0.137 1
1 542 . 5 1 1 A 69 69 HIS HA H 69 4.510 4.669 -0.159 1
1 545 . 5 1 1 A 69 69 HIS CA C 69 58.127 50.419 7.708 1
1 546 . 5 1 1 A 69 69 HIS CB C 69 28.480 19.111 9.369 1
1 547 . 5 1 1 A 69 69 HIS N N 69 119.246 127.051 -7.805 1
1 549 . 5 1 1 A 70 70 TYR HA H 70 3.706 4.572 -0.866 1
1 553 . 5 1 1 A 70 70 TYR CA C 70 63.989 64.047 -0.058 1
1 554 . 5 1 1 A 70 70 TYR CB C 70 40.145 31.767 8.378 1
1 555 . 5 1 1 A 70 70 TYR N N 70 125.887 133.330 -7.443 1
1 556 . 5 1 1 A 71 71 VAL H H 71 8.295 8.222 0.073 1
1 557 . 5 1 1 A 71 71 VAL HA H 71 3.554 4.572 -1.018 1
1 565 . 5 1 1 A 71 71 VAL CA C 71 67.021 56.197 10.824 1
1 566 . 5 1 1 A 71 71 VAL CB C 71 32.084 33.644 -1.560 1
1 569 . 5 1 1 A 71 71 VAL N N 71 118.239 117.288 0.951 1
1 570 . 5 1 1 A 72 72 ASN H H 72 7.511 7.906 -0.395 1
1 571 . 5 1 1 A 72 72 ASN HA H 72 4.558 4.718 -0.160 1
1 574 . 5 1 1 A 72 72 ASN CA C 72 55.116 55.088 0.028 1
1 575 . 5 1 1 A 72 72 ASN CB C 72 39.569 42.077 -2.508 1
1 576 . 5 1 1 A 72 72 ASN N N 72 116.018 117.595 -1.577 1
1 577 . 5 1 1 A 73 73 SER H H 73 7.709 7.769 -0.060 1
1 578 . 5 1 1 A 73 73 SER HA H 73 4.633 3.561 1.072 1
1 581 . 5 1 1 A 73 73 SER CA C 73 59.832 66.869 -7.037 1
1 582 . 5 1 1 A 73 73 SER CB C 73 65.899 31.522 34.377 1
1 583 . 5 1 1 A 73 73 SER N N 73 110.837 119.663 -8.826 1
1 584 . 5 1 1 A 74 74 LYS H H 74 7.942 7.896 0.046 1
1 585 . 5 1 1 A 74 74 LYS HA H 74 4.280 4.683 -0.403 1
1 593 . 5 1 1 A 74 74 LYS CA C 74 55.124 55.866 -0.742 1
1 594 . 5 1 1 A 74 74 LYS CB C 74 33.198 40.826 -7.628 1
1 598 . 5 1 1 A 74 74 LYS N N 74 120.706 115.378 5.328 1
1 599 . 5 1 1 A 75 75 VAL H H 75 7.227 8.599 -1.372 1
1 600 . 5 1 1 A 75 75 VAL HA H 75 3.315 4.615 -1.300 1
1 608 . 5 1 1 A 75 75 VAL CA C 75 67.599 63.381 4.218 1
1 609 . 5 1 1 A 75 75 VAL CB C 75 31.540 70.498 -38.958 1
1 612 . 5 1 1 A 75 75 VAL N N 75 120.147 115.555 4.592 1
1 613 . 5 1 1 A 76 76 ASP H H 76 8.851 8.114 0.737 1
1 614 . 5 1 1 A 76 76 ASP HA H 76 4.402 4.095 0.307 1
1 617 . 5 1 1 A 76 76 ASP CA C 76 59.568 59.128 0.440 1
1 618 . 5 1 1 A 76 76 ASP CB C 76 37.667 32.082 5.585 1
1 619 . 5 1 1 A 76 76 ASP N N 76 117.992 120.214 -2.222 1
1 620 . 5 1 1 A 77 77 PRO HA H 77 4.158 4.216 -0.058 1
1 626 . 5 1 1 A 77 77 PRO CA C 77 66.237 56.908 9.329 1
1 627 . 5 1 1 A 77 77 PRO CB C 77 31.347 43.025 -11.678 1
1 630 . 5 1 1 A 78 78 ILE H H 78 7.243 8.180 -0.937 1
1 631 . 5 1 1 A 78 78 ILE HA H 78 3.315 4.406 -1.091 1
1 641 . 5 1 1 A 78 78 ILE CA C 78 65.957 54.010 11.947 1
1 642 . 5 1 1 A 78 78 ILE CB C 78 38.787 37.042 1.745 1
1 646 . 5 1 1 A 78 78 ILE N N 78 119.472 117.462 2.010 1
1 647 . 5 1 1 A 79 79 ILE H H 79 8.180 8.161 0.019 1
1 648 . 5 1 1 A 79 79 ILE HA H 79 3.218 4.459 -1.241 1
1 658 . 5 1 1 A 79 79 ILE CA C 79 65.939 58.054 7.885 1
1 659 . 5 1 1 A 79 79 ILE CB C 79 37.344 30.520 6.824 1
1 663 . 5 1 1 A 79 79 ILE N N 79 119.472 116.413 3.059 1
1 664 . 5 1 1 A 80 80 HIS H H 80 8.671 8.357 0.314 1
1 665 . 5 1 1 A 80 80 HIS HA H 80 4.351 4.292 0.059 1
1 670 . 5 1 1 A 80 80 HIS CA C 80 58.731 60.878 -2.147 1
1 671 . 5 1 1 A 80 80 HIS CB C 80 27.913 40.074 -12.161 1
1 672 . 5 1 1 A 80 80 HIS N N 80 117.252 118.401 -1.149 1
1 1 . 6 1 1 A 12 12 SER H H 12 8.509 8.430 0.079 1
1 2 . 6 1 1 A 12 12 SER HA H 12 4.430 4.055 0.375 1
1 4 . 6 1 1 A 12 12 SER N N 12 118.485 117.390 1.095 1
1 5 . 6 1 1 A 13 13 GLY H H 13 8.404 8.379 0.025 1
1 7 . 6 1 1 A 13 13 GLY N N 13 111.084 118.831 -7.747 1
1 8 . 6 1 1 A 14 14 ILE H H 14 8.006 8.202 -0.196 1
1 9 . 6 1 1 A 14 14 ILE HA H 14 4.086 4.006 0.080 1
1 14 . 6 1 1 A 14 14 ILE N N 14 119.966 122.323 -2.357 1
1 15 . 6 1 1 A 15 15 GLU H H 15 8.528 7.712 0.816 1
1 16 . 6 1 1 A 15 15 GLU HA H 15 4.197 4.127 0.070 1
1 19 . 6 1 1 A 15 15 GLU N N 15 124.654 118.779 5.875 1
1 20 . 6 1 1 A 16 16 GLY H H 16 8.343 8.639 -0.296 1
1 22 . 6 1 1 A 16 16 GLY N N 16 110.097 121.527 -11.430 1
1 23 . 6 1 1 A 17 17 ARG H H 17 8.143 8.646 -0.503 1
1 24 . 6 1 1 A 17 17 ARG HA H 17 4.319 3.672 0.647 1
1 28 . 6 1 1 A 17 17 ARG N N 17 120.459 118.791 1.668 1
1 29 . 6 1 1 A 18 18 GLY H H 18 8.477 7.510 0.967 1
1 30 . 6 1 1 A 18 18 GLY HA2 H 18 3.894 4.195 -0.301 1
1 31 . 6 1 1 A 18 18 GLY N N 18 110.097 107.603 2.494 1
1 32 . 6 1 1 A 19 19 ARG H H 19 8.105 8.285 -0.180 1
1 33 . 6 1 1 A 19 19 ARG HA H 19 4.283 4.695 -0.412 1
1 38 . 6 1 1 A 19 19 ARG CA C 19 56.218 61.207 -4.989 1
1 39 . 6 1 1 A 19 19 ARG CB C 19 30.987 63.802 -32.815 1
1 42 . 6 1 1 A 19 19 ARG N N 19 120.706 115.379 5.327 1
1 43 . 6 1 1 A 20 20 SER H H 20 8.553 7.934 0.619 1
1 44 . 6 1 1 A 20 20 SER HA H 20 4.432 4.195 0.237 1
1 47 . 6 1 1 A 20 20 SER CA C 20 58.189 54.598 3.591 1
1 48 . 6 1 1 A 20 20 SER CB C 20 63.967 17.776 46.191 1
1 49 . 6 1 1 A 20 20 SER N N 20 117.992 121.816 -3.824 1
1 50 . 6 1 1 A 21 21 ALA H H 21 8.233 8.004 0.229 1
1 51 . 6 1 1 A 21 21 ALA HA H 21 4.167 4.727 -0.560 1
1 55 . 6 1 1 A 21 21 ALA CA C 21 53.662 53.639 0.023 1
1 56 . 6 1 1 A 21 21 ALA CB C 21 18.745 41.628 -22.883 1
1 57 . 6 1 1 A 21 21 ALA N N 21 126.792 116.390 10.402 1
1 58 . 6 1 1 A 22 22 LEU H H 22 8.402 7.921 0.481 1
1 59 . 6 1 1 A 22 22 LEU HA H 22 4.036 3.934 0.102 1
1 66 . 6 1 1 A 22 22 LEU CA C 22 55.382 57.198 -1.816 1
1 67 . 6 1 1 A 22 22 LEU CB C 22 42.077 30.251 11.826 1
1 70 . 6 1 1 A 22 22 LEU N N 22 121.062 117.129 3.933 1
1 71 . 6 1 1 A 23 23 SER H H 23 8.155 7.886 0.269 1
1 72 . 6 1 1 A 23 23 SER HA H 23 3.913 4.776 -0.863 1
1 75 . 6 1 1 A 23 23 SER CA C 23 63.166 53.651 9.515 1
1 76 . 6 1 1 A 23 23 SER CB C 23 62.894 43.146 19.748 1
1 77 . 6 1 1 A 23 23 SER N N 23 114.448 117.837 -3.389 1
1 78 . 6 1 1 A 24 24 CYS H H 24 7.630 8.938 -1.308 1
1 79 . 6 1 1 A 24 24 CYS HA H 24 4.389 3.972 0.417 1
1 82 . 6 1 1 A 24 24 CYS CB C 24 37.631 18.427 19.204 1
1 83 . 6 1 1 A 24 24 CYS N N 24 120.980 127.326 -6.346 1
1 84 . 6 1 1 A 25 25 GLN H H 25 8.056 7.883 0.173 1
1 85 . 6 1 1 A 25 25 GLN HA H 25 4.031 4.480 -0.449 1
1 91 . 6 1 1 A 25 25 GLN CA C 25 59.555 55.720 3.835 1
1 92 . 6 1 1 A 25 25 GLN CB C 25 30.148 38.703 -8.555 1
1 94 . 6 1 1 A 25 25 GLN N N 25 118.033 116.705 1.328 1
1 96 . 6 1 1 A 26 26 MET H H 26 8.246 7.865 0.381 1
1 97 . 6 1 1 A 26 26 MET HA H 26 3.889 3.822 0.067 1
1 105 . 6 1 1 A 26 26 MET CA C 26 61.790 65.353 -3.563 1
1 106 . 6 1 1 A 26 26 MET CB C 26 35.426 31.379 4.047 1
1 109 . 6 1 1 A 26 26 MET N N 26 118.732 118.623 0.109 1
1 110 . 6 1 1 A 27 27 CYS H H 27 8.415 7.349 1.066 1
1 111 . 6 1 1 A 27 27 CYS HA H 27 4.100 3.978 0.122 1
1 114 . 6 1 1 A 27 27 CYS CA C 27 61.807 64.028 -2.221 1
1 115 . 6 1 1 A 27 27 CYS CB C 27 42.874 37.593 5.281 1
1 116 . 6 1 1 A 27 27 CYS N N 27 121.237 121.695 -0.458 1
1 117 . 6 1 1 A 28 28 GLU H H 28 8.581 8.093 0.488 1
1 118 . 6 1 1 A 28 28 GLU HA H 28 3.974 4.076 -0.102 1
1 123 . 6 1 1 A 28 28 GLU CA C 28 59.558 59.239 0.319 1
1 125 . 6 1 1 A 28 28 GLU N N 28 118.019 120.495 -2.476 1
1 126 . 6 1 1 A 29 29 LEU H H 29 7.881 7.659 0.222 1
1 127 . 6 1 1 A 29 29 LEU HA H 29 4.346 4.106 0.240 1
1 137 . 6 1 1 A 29 29 LEU CA C 29 57.877 59.837 -1.960 1
1 138 . 6 1 1 A 29 29 LEU CB C 29 42.067 32.434 9.633 1
1 142 . 6 1 1 A 29 29 LEU N N 29 122.680 119.967 2.713 1
1 143 . 6 1 1 A 30 30 VAL H H 30 8.251 7.949 0.302 1
1 144 . 6 1 1 A 30 30 VAL HA H 30 3.315 4.346 -1.031 1
1 152 . 6 1 1 A 30 30 VAL CA C 30 64.085 57.334 6.751 1
1 153 . 6 1 1 A 30 30 VAL CB C 30 32.374 40.502 -8.128 1
1 156 . 6 1 1 A 30 30 VAL N N 30 120.953 119.750 1.203 1
1 157 . 6 1 1 A 31 31 VAL H H 31 8.071 8.868 -0.797 1
1 158 . 6 1 1 A 31 31 VAL HA H 31 3.340 4.009 -0.669 1
1 166 . 6 1 1 A 31 31 VAL CA C 31 67.602 62.111 5.491 1
1 167 . 6 1 1 A 31 31 VAL CB C 31 31.803 39.116 -7.313 1
1 170 . 6 1 1 A 31 31 VAL N N 31 118.979 120.885 -1.906 1
1 171 . 6 1 1 A 32 32 LYS H H 32 8.088 8.462 -0.374 1
1 172 . 6 1 1 A 32 32 LYS HA H 32 4.096 4.378 -0.282 1
1 178 . 6 1 1 A 32 32 LYS CA C 32 59.838 57.968 1.870 1
1 179 . 6 1 1 A 32 32 LYS CB C 32 32.651 42.251 -9.600 1
1 183 . 6 1 1 A 32 32 LYS N N 32 119.226 119.418 -0.192 1
1 184 . 6 1 1 A 33 33 LYS H H 33 8.460 8.396 0.064 1
1 185 . 6 1 1 A 33 33 LYS HA H 33 4.176 4.049 0.127 1
1 194 . 6 1 1 A 33 33 LYS CA C 33 57.066 55.447 1.619 1
1 195 . 6 1 1 A 33 33 LYS CB C 33 31.540 18.328 13.212 1
1 199 . 6 1 1 A 33 33 LYS N N 33 118.868 121.265 -2.397 1
1 200 . 6 1 1 A 34 34 TYR H H 34 8.966 8.204 0.762 1
1 201 . 6 1 1 A 34 34 TYR HA H 34 3.935 3.875 0.060 1
1 205 . 6 1 1 A 34 34 TYR CA C 34 62.301 59.288 3.013 1
1 206 . 6 1 1 A 34 34 TYR CB C 34 39.007 29.043 9.964 1
1 207 . 6 1 1 A 34 34 TYR N N 34 121.940 117.826 4.114 1
1 208 . 6 1 1 A 35 35 GLU H H 35 8.980 8.270 0.710 1
1 209 . 6 1 1 A 35 35 GLU HA H 35 3.898 3.711 0.187 1
1 214 . 6 1 1 A 35 35 GLU CA C 35 58.979 59.837 -0.858 1
1 215 . 6 1 1 A 35 35 GLU CB C 35 29.876 41.399 -11.523 1
1 217 . 6 1 1 A 35 35 GLU N N 35 118.239 117.038 1.201 1
1 218 . 6 1 1 A 36 36 GLY H H 36 7.696 8.154 -0.458 1
1 221 . 6 1 1 A 36 36 GLY CA C 36 45.055 59.548 -14.493 1
1 222 . 6 1 1 A 36 36 GLY N N 36 103.730 120.206 -16.476 1
1 223 . 6 1 1 A 37 37 SER H H 37 6.977 7.790 -0.813 1
1 224 . 6 1 1 A 37 37 SER HA H 37 4.364 3.972 0.392 1
1 227 . 6 1 1 A 37 37 SER CA C 37 57.087 58.628 -1.541 1
1 228 . 6 1 1 A 37 37 SER CB C 37 63.450 31.573 31.877 1
1 229 . 6 1 1 A 37 37 SER N N 37 115.525 118.531 -3.006 1
1 230 . 6 1 1 A 38 38 ALA H H 38 8.918 9.019 -0.101 1
1 231 . 6 1 1 A 38 38 ALA HA H 38 4.153 3.965 0.188 1
1 235 . 6 1 1 A 38 38 ALA CA C 38 54.285 57.665 -3.380 1
1 236 . 6 1 1 A 38 38 ALA CB C 38 18.784 41.629 -22.845 1
1 237 . 6 1 1 A 38 38 ALA N N 38 131.315 121.314 10.001 1
1 238 . 6 1 1 A 39 39 ASP H H 39 7.712 9.304 -1.592 1
1 239 . 6 1 1 A 39 39 ASP HA H 39 4.578 5.012 -0.434 1
1 242 . 6 1 1 A 39 39 ASP CA C 39 52.907 56.344 -3.437 1
1 243 . 6 1 1 A 39 39 ASP CB C 39 41.519 38.199 3.320 1
1 244 . 6 1 1 A 39 39 ASP N N 39 114.785 116.674 -1.889 1
1 245 . 6 1 1 A 40 40 LYS H H 40 8.386 8.374 0.012 1
1 246 . 6 1 1 A 40 40 LYS HA H 40 3.604 4.334 -0.730 1
1 255 . 6 1 1 A 40 40 LYS CA C 40 54.835 59.043 -4.208 1
1 256 . 6 1 1 A 40 40 LYS CB C 40 29.039 28.773 0.266 1
1 260 . 6 1 1 A 40 40 LYS N N 40 119.226 118.033 1.193 1
1 261 . 6 1 1 A 41 41 ASP H H 41 7.523 7.403 0.120 1
1 262 . 6 1 1 A 41 41 ASP HA H 41 4.376 3.774 0.602 1
1 265 . 6 1 1 A 41 41 ASP CA C 41 54.330 65.576 -11.246 1
1 266 . 6 1 1 A 41 41 ASP CB C 41 42.108 68.136 -26.028 1
1 267 . 6 1 1 A 41 41 ASP N N 41 119.226 110.666 8.560 1
1 268 . 6 1 1 A 42 42 ALA H H 42 9.017 7.624 1.393 1
1 269 . 6 1 1 A 42 42 ALA HA H 42 3.860 4.051 -0.191 1
1 273 . 6 1 1 A 42 42 ALA CA C 42 55.680 60.368 -4.688 1
1 274 . 6 1 1 A 42 42 ALA CB C 42 19.315 37.340 -18.025 1
1 275 . 6 1 1 A 42 42 ALA N N 42 130.822 124.650 6.172 1
1 277 . 6 1 1 A 43 43 ASN HA H 43 4.386 4.118 0.268 1
1 280 . 6 1 1 A 43 43 ASN CA C 43 56.511 65.866 -9.355 1
1 281 . 6 1 1 A 43 43 ASN CB C 43 38.255 30.795 7.460 1
1 282 . 6 1 1 A 43 43 ASN N N 43 114.785 141.259 -26.474 1
1 283 . 6 1 1 A 44 44 VAL H H 44 7.510 7.352 0.158 1
1 284 . 6 1 1 A 44 44 VAL HA H 44 3.601 4.549 -0.948 1
1 292 . 6 1 1 A 44 44 VAL CA C 44 66.228 59.907 6.321 1
1 293 . 6 1 1 A 44 44 VAL CB C 44 33.117 37.720 -4.603 1
1 296 . 6 1 1 A 44 44 VAL N N 44 123.173 117.360 5.813 1
1 297 . 6 1 1 A 45 45 ILE H H 45 8.084 8.246 -0.162 1
1 308 . 6 1 1 A 45 45 ILE CA C 45 65.113 47.453 17.660 1
1 313 . 6 1 1 A 45 45 ILE N N 45 120.213 108.515 11.698 1
1 314 . 6 1 1 A 46 46 LYS H H 46 8.393 8.281 0.112 1
1 315 . 6 1 1 A 46 46 LYS HA H 46 3.809 4.103 -0.294 1
1 320 . 6 1 1 A 46 46 LYS CA C 46 62.030 65.461 -3.431 1
1 321 . 6 1 1 A 46 46 LYS CB C 46 32.915 68.387 -35.472 1
1 324 . 6 1 1 A 46 46 LYS N N 46 118.239 116.327 1.912 1
1 325 . 6 1 1 A 47 47 LYS H H 47 7.469 7.998 -0.529 1
1 326 . 6 1 1 A 47 47 LYS HA H 47 4.128 4.009 0.119 1
1 332 . 6 1 1 A 47 47 LYS CA C 47 59.824 59.968 -0.144 1
1 333 . 6 1 1 A 47 47 LYS CB C 47 32.656 30.041 2.615 1
1 337 . 6 1 1 A 47 47 LYS N N 47 119.719 122.550 -2.831 1
1 338 . 6 1 1 A 48 48 ASP H H 48 8.697 8.613 0.084 1
1 339 . 6 1 1 A 48 48 ASP HA H 48 4.483 4.207 0.276 1
1 342 . 6 1 1 A 48 48 ASP CA C 48 57.054 59.413 -2.359 1
1 343 . 6 1 1 A 48 48 ASP CB C 48 40.422 28.973 11.449 1
1 344 . 6 1 1 A 48 48 ASP N N 48 122.433 118.147 4.286 1
1 345 . 6 1 1 A 49 49 PHE H H 49 9.328 8.659 0.669 1
1 346 . 6 1 1 A 49 49 PHE HA H 49 3.820 4.672 -0.852 1
1 351 . 6 1 1 A 49 49 PHE CA C 49 62.071 60.325 1.746 1
1 352 . 6 1 1 A 49 49 PHE CB C 49 39.041 41.316 -2.275 1
1 353 . 6 1 1 A 49 49 PHE N N 49 120.502 118.425 2.077 1
1 354 . 6 1 1 A 50 50 ASP H H 50 8.603 8.693 -0.090 1
1 355 . 6 1 1 A 50 50 ASP HA H 50 3.855 4.552 -0.697 1
1 358 . 6 1 1 A 50 50 ASP CA C 50 57.655 56.441 1.214 1
1 359 . 6 1 1 A 50 50 ASP CB C 50 41.246 40.758 0.488 1
1 360 . 6 1 1 A 50 50 ASP N N 50 120.706 121.769 -1.063 1
1 361 . 6 1 1 A 51 51 ALA H H 51 7.510 7.734 -0.224 1
1 362 . 6 1 1 A 51 51 ALA HA H 51 3.982 4.570 -0.588 1
1 366 . 6 1 1 A 51 51 ALA CA C 51 56.311 56.230 0.081 1
1 367 . 6 1 1 A 51 51 ALA CB C 51 18.201 29.400 -11.199 1
1 368 . 6 1 1 A 51 51 ALA N N 51 117.499 116.243 1.256 1
1 369 . 6 1 1 A 52 52 GLU H H 52 7.604 8.080 -0.476 1
1 370 . 6 1 1 A 52 52 GLU HA H 52 3.941 4.393 -0.452 1
1 374 . 6 1 1 A 52 52 GLU CA C 52 59.294 60.266 -0.972 1
1 375 . 6 1 1 A 52 52 GLU CB C 52 29.581 39.281 -9.700 1
1 377 . 6 1 1 A 52 52 GLU N N 52 118.979 120.914 -1.935 1
1 378 . 6 1 1 A 53 53 CYS H H 53 9.106 7.660 1.446 1
1 379 . 6 1 1 A 53 53 CYS HA H 53 3.502 3.759 -0.257 1
1 382 . 6 1 1 A 53 53 CYS CA C 53 60.943 64.427 -3.484 1
1 383 . 6 1 1 A 53 53 CYS CB C 53 37.388 31.533 5.855 1
1 384 . 6 1 1 A 53 53 CYS N N 53 120.292 116.105 4.187 1
1 385 . 6 1 1 A 54 54 LYS H H 54 7.888 7.570 0.318 1
1 386 . 6 1 1 A 54 54 LYS HA H 54 3.634 4.929 -1.295 1
1 394 . 6 1 1 A 54 54 LYS CA C 54 60.379 51.998 8.381 1
1 395 . 6 1 1 A 54 54 LYS CB C 54 32.093 38.990 -6.897 1
1 399 . 6 1 1 A 54 54 LYS N N 54 117.499 120.558 -3.059 1
1 400 . 6 1 1 A 55 55 LYS H H 55 7.300 7.994 -0.694 1
1 401 . 6 1 1 A 55 55 LYS HA H 55 4.028 4.602 -0.574 1
1 408 . 6 1 1 A 55 55 LYS CA C 55 59.571 59.152 0.419 1
1 409 . 6 1 1 A 55 55 LYS CB C 55 32.647 65.705 -33.058 1
1 412 . 6 1 1 A 55 55 LYS N N 55 120.213 118.320 1.893 1
1 413 . 6 1 1 A 56 56 LEU H H 56 8.074 7.743 0.331 1
1 414 . 6 1 1 A 56 56 LEU HA H 56 3.848 4.369 -0.521 1
1 424 . 6 1 1 A 56 56 LEU CA C 56 57.354 54.937 2.417 1
1 425 . 6 1 1 A 56 56 LEU CB C 56 41.816 32.902 8.914 1
1 429 . 6 1 1 A 56 56 LEU N N 56 119.719 118.069 1.650 1
1 430 . 6 1 1 A 57 57 PHE H H 57 8.054 7.433 0.621 1
1 431 . 6 1 1 A 57 57 PHE HA H 57 4.983 3.833 1.150 1
1 436 . 6 1 1 A 57 57 PHE CA C 57 56.470 63.690 -7.220 1
1 437 . 6 1 1 A 57 57 PHE CB C 57 37.916 32.335 5.581 1
1 438 . 6 1 1 A 57 57 PHE N N 57 113.798 117.959 -4.161 1
1 439 . 6 1 1 A 58 58 HIS H H 58 7.523 7.744 -0.221 1
1 440 . 6 1 1 A 58 58 HIS HA H 58 4.448 4.368 0.080 1
1 443 . 6 1 1 A 58 58 HIS CA C 58 59.037 59.279 -0.242 1
1 444 . 6 1 1 A 58 58 HIS CB C 58 27.942 39.846 -11.904 1
1 445 . 6 1 1 A 58 58 HIS N N 58 116.758 120.679 -3.921 1
1 447 . 6 1 1 A 59 59 THR HA H 59 4.085 4.764 -0.679 1
1 452 . 6 1 1 A 59 59 THR CA C 59 62.033 65.642 -3.609 1
1 453 . 6 1 1 A 59 59 THR CB C 59 68.425 30.519 37.906 1
1 455 . 6 1 1 A 59 59 THR N N 59 108.123 135.333 -27.210 1
1 456 . 6 1 1 A 60 60 ILE H H 60 7.540 7.456 0.084 1
1 457 . 6 1 1 A 60 60 ILE HA H 60 4.444 3.616 0.828 1
1 467 . 6 1 1 A 60 60 ILE CA C 60 58.167 64.225 -6.058 1
1 468 . 6 1 1 A 60 60 ILE CB C 60 38.745 37.869 0.876 1
1 472 . 6 1 1 A 60 60 ILE N N 60 124.900 115.853 9.047 1
1 473 . 6 1 1 A 61 61 PRO HA H 61 4.105 4.133 -0.028 1
1 480 . 6 1 1 A 61 61 PRO CA C 61 64.800 63.418 1.382 1
1 481 . 6 1 1 A 61 61 PRO CB C 61 31.271 37.216 -5.945 1
1 484 . 6 1 1 A 62 62 PHE HA H 62 4.560 4.485 0.075 1
1 487 . 6 1 1 A 62 62 PHE CA C 62 58.476 58.444 0.032 1
1 488 . 6 1 1 A 62 62 PHE CB C 62 37.121 28.377 8.744 1
1 489 . 6 1 1 A 63 63 GLY H H 63 8.543 7.605 0.938 1
1 492 . 6 1 1 A 63 63 GLY CA C 63 47.897 58.895 -10.998 1
1 493 . 6 1 1 A 63 63 GLY N N 63 110.590 121.941 -11.351 1
1 494 . 6 1 1 A 64 64 THR H H 64 8.513 8.124 0.389 1
1 495 . 6 1 1 A 64 64 THR HA H 64 4.206 4.371 -0.165 1
1 500 . 6 1 1 A 64 64 THR CA C 64 67.646 57.980 9.666 1
1 501 . 6 1 1 A 64 64 THR CB C 64 67.349 40.938 26.411 1
1 503 . 6 1 1 A 64 64 THR N N 64 114.538 120.123 -5.585 1
1 504 . 6 1 1 A 65 65 ARG H H 65 7.519 9.230 -1.711 1
1 505 . 6 1 1 A 65 65 ARG HA H 65 4.177 4.233 -0.056 1
1 512 . 6 1 1 A 65 65 ARG CA C 65 55.799 58.776 -2.977 1
1 513 . 6 1 1 A 65 65 ARG CB C 65 30.146 29.090 1.056 1
1 516 . 6 1 1 A 65 65 ARG N N 65 121.940 118.789 3.151 1
1 517 . 6 1 1 A 66 66 GLU H H 66 8.453 8.146 0.307 1
1 523 . 6 1 1 A 66 66 GLU CA C 66 58.981 46.344 12.637 1
1 526 . 6 1 1 A 66 66 GLU N N 66 120.459 108.125 12.334 1
1 527 . 6 1 1 A 67 67 CYS H H 67 8.467 8.224 0.243 1
1 531 . 6 1 1 A 67 67 CYS CA C 67 59.277 45.300 13.977 1
1 533 . 6 1 1 A 67 67 CYS N N 67 121.446 106.483 14.963 1
1 534 . 6 1 1 A 68 68 ASP H H 68 8.002 7.713 0.289 1
1 535 . 6 1 1 A 68 68 ASP HA H 68 4.514 4.215 0.299 1
1 538 . 6 1 1 A 68 68 ASP CA C 68 57.902 62.851 -4.949 1
1 539 . 6 1 1 A 68 68 ASP CB C 68 40.393 69.559 -29.166 1
1 540 . 6 1 1 A 68 68 ASP N N 68 120.459 115.655 4.804 1
1 541 . 6 1 1 A 69 69 HIS H H 69 8.564 8.695 -0.131 1
1 542 . 6 1 1 A 69 69 HIS HA H 69 4.510 4.596 -0.086 1
1 545 . 6 1 1 A 69 69 HIS CA C 69 58.127 50.719 7.408 1
1 546 . 6 1 1 A 69 69 HIS CB C 69 28.480 18.699 9.781 1
1 547 . 6 1 1 A 69 69 HIS N N 69 119.246 127.018 -7.772 1
1 549 . 6 1 1 A 70 70 TYR HA H 70 3.706 4.565 -0.859 1
1 553 . 6 1 1 A 70 70 TYR CA C 70 63.989 64.038 -0.049 1
1 554 . 6 1 1 A 70 70 TYR CB C 70 40.145 31.633 8.512 1
1 555 . 6 1 1 A 70 70 TYR N N 70 125.887 133.577 -7.690 1
1 556 . 6 1 1 A 71 71 VAL H H 71 8.295 8.230 0.065 1
1 557 . 6 1 1 A 71 71 VAL HA H 71 3.554 4.435 -0.881 1
1 565 . 6 1 1 A 71 71 VAL CA C 71 67.021 56.587 10.434 1
1 566 . 6 1 1 A 71 71 VAL CB C 71 32.084 32.564 -0.480 1
1 569 . 6 1 1 A 71 71 VAL N N 71 118.239 117.345 0.894 1
1 570 . 6 1 1 A 72 72 ASN H H 72 7.511 7.871 -0.360 1
1 571 . 6 1 1 A 72 72 ASN HA H 72 4.558 4.702 -0.144 1
1 574 . 6 1 1 A 72 72 ASN CA C 72 55.116 55.174 -0.058 1
1 575 . 6 1 1 A 72 72 ASN CB C 72 39.569 41.679 -2.110 1
1 576 . 6 1 1 A 72 72 ASN N N 72 116.018 117.945 -1.927 1
1 577 . 6 1 1 A 73 73 SER H H 73 7.709 7.826 -0.117 1
1 578 . 6 1 1 A 73 73 SER HA H 73 4.633 3.481 1.152 1
1 581 . 6 1 1 A 73 73 SER CA C 73 59.832 66.518 -6.686 1
1 582 . 6 1 1 A 73 73 SER CB C 73 65.899 31.202 34.697 1
1 583 . 6 1 1 A 73 73 SER N N 73 110.837 119.842 -9.005 1
1 584 . 6 1 1 A 74 74 LYS H H 74 7.942 7.867 0.075 1
1 585 . 6 1 1 A 74 74 LYS HA H 74 4.280 4.707 -0.427 1
1 593 . 6 1 1 A 74 74 LYS CA C 74 55.124 55.932 -0.808 1
1 594 . 6 1 1 A 74 74 LYS CB C 74 33.198 40.586 -7.388 1
1 598 . 6 1 1 A 74 74 LYS N N 74 120.706 115.223 5.483 1
1 599 . 6 1 1 A 75 75 VAL H H 75 7.227 8.864 -1.637 1
1 600 . 6 1 1 A 75 75 VAL HA H 75 3.315 4.531 -1.216 1
1 608 . 6 1 1 A 75 75 VAL CA C 75 67.599 62.772 4.827 1
1 609 . 6 1 1 A 75 75 VAL CB C 75 31.540 71.561 -40.021 1
1 612 . 6 1 1 A 75 75 VAL N N 75 120.147 114.845 5.302 1
1 613 . 6 1 1 A 76 76 ASP H H 76 8.851 8.321 0.530 1
1 614 . 6 1 1 A 76 76 ASP HA H 76 4.402 4.038 0.364 1
1 617 . 6 1 1 A 76 76 ASP CA C 76 59.568 59.577 -0.009 1
1 618 . 6 1 1 A 76 76 ASP CB C 76 37.667 32.547 5.120 1
1 619 . 6 1 1 A 76 76 ASP N N 76 117.992 121.489 -3.497 1
1 620 . 6 1 1 A 77 77 PRO HA H 77 4.158 4.394 -0.236 1
1 626 . 6 1 1 A 77 77 PRO CA C 77 66.237 54.660 11.577 1
1 627 . 6 1 1 A 77 77 PRO CB C 77 31.347 41.850 -10.503 1
1 630 . 6 1 1 A 78 78 ILE H H 78 7.243 8.205 -0.962 1
1 631 . 6 1 1 A 78 78 ILE HA H 78 3.315 4.466 -1.151 1
1 641 . 6 1 1 A 78 78 ILE CA C 78 65.957 54.556 11.401 1
1 642 . 6 1 1 A 78 78 ILE CB C 78 38.787 36.688 2.099 1
1 646 . 6 1 1 A 78 78 ILE N N 78 119.472 113.911 5.561 1
1 647 . 6 1 1 A 79 79 ILE H H 79 8.180 7.958 0.222 1
1 648 . 6 1 1 A 79 79 ILE HA H 79 3.218 3.961 -0.743 1
1 658 . 6 1 1 A 79 79 ILE CA C 79 65.939 59.777 6.162 1
1 659 . 6 1 1 A 79 79 ILE CB C 79 37.344 29.409 7.935 1
1 663 . 6 1 1 A 79 79 ILE N N 79 119.472 117.581 1.891 1
1 664 . 6 1 1 A 80 80 HIS H H 80 8.671 7.991 0.680 1
1 665 . 6 1 1 A 80 80 HIS HA H 80 4.351 4.632 -0.281 1
1 670 . 6 1 1 A 80 80 HIS CA C 80 58.731 56.143 2.588 1
1 671 . 6 1 1 A 80 80 HIS CB C 80 27.913 42.685 -14.772 1
1 672 . 6 1 1 A 80 80 HIS N N 80 117.252 117.370 -0.118 1
1 1 . 7 1 1 A 12 12 SER H H 12 8.509 8.126 0.383 1
1 2 . 7 1 1 A 12 12 SER HA H 12 4.430 3.997 0.433 1
1 4 . 7 1 1 A 12 12 SER N N 12 118.485 116.397 2.088 1
1 5 . 7 1 1 A 13 13 GLY H H 13 8.404 8.130 0.274 1
1 7 . 7 1 1 A 13 13 GLY N N 13 111.084 119.042 -7.958 1
1 8 . 7 1 1 A 14 14 ILE H H 14 8.006 8.260 -0.254 1
1 9 . 7 1 1 A 14 14 ILE HA H 14 4.086 4.024 0.062 1
1 14 . 7 1 1 A 14 14 ILE N N 14 119.966 122.436 -2.470 1
1 15 . 7 1 1 A 15 15 GLU H H 15 8.528 7.599 0.929 1
1 16 . 7 1 1 A 15 15 GLU HA H 15 4.197 4.147 0.050 1
1 19 . 7 1 1 A 15 15 GLU N N 15 124.654 118.797 5.857 1
1 20 . 7 1 1 A 16 16 GLY H H 16 8.343 8.649 -0.306 1
1 22 . 7 1 1 A 16 16 GLY N N 16 110.097 121.542 -11.445 1
1 23 . 7 1 1 A 17 17 ARG H H 17 8.143 8.739 -0.596 1
1 24 . 7 1 1 A 17 17 ARG HA H 17 4.319 3.806 0.513 1
1 28 . 7 1 1 A 17 17 ARG N N 17 120.459 118.374 2.085 1
1 29 . 7 1 1 A 18 18 GLY H H 18 8.477 7.992 0.485 1
1 30 . 7 1 1 A 18 18 GLY HA2 H 18 3.894 4.177 -0.283 1
1 31 . 7 1 1 A 18 18 GLY N N 18 110.097 107.901 2.196 1
1 32 . 7 1 1 A 19 19 ARG H H 19 8.105 8.582 -0.477 1
1 33 . 7 1 1 A 19 19 ARG HA H 19 4.283 4.632 -0.349 1
1 38 . 7 1 1 A 19 19 ARG CA C 19 56.218 60.587 -4.369 1
1 39 . 7 1 1 A 19 19 ARG CB C 19 30.987 63.984 -32.997 1
1 42 . 7 1 1 A 19 19 ARG N N 19 120.706 114.602 6.104 1
1 43 . 7 1 1 A 20 20 SER H H 20 8.553 7.964 0.589 1
1 44 . 7 1 1 A 20 20 SER HA H 20 4.432 4.214 0.218 1
1 47 . 7 1 1 A 20 20 SER CA C 20 58.189 54.592 3.597 1
1 48 . 7 1 1 A 20 20 SER CB C 20 63.967 17.793 46.174 1
1 49 . 7 1 1 A 20 20 SER N N 20 117.992 120.192 -2.200 1
1 50 . 7 1 1 A 21 21 ALA H H 21 8.233 8.240 -0.007 1
1 51 . 7 1 1 A 21 21 ALA HA H 21 4.167 4.601 -0.434 1
1 55 . 7 1 1 A 21 21 ALA CA C 21 53.662 53.305 0.357 1
1 56 . 7 1 1 A 21 21 ALA CB C 21 18.745 41.384 -22.639 1
1 57 . 7 1 1 A 21 21 ALA N N 21 126.792 114.833 11.959 1
1 58 . 7 1 1 A 22 22 LEU H H 22 8.402 7.918 0.484 1
1 59 . 7 1 1 A 22 22 LEU HA H 22 4.036 3.936 0.100 1
1 66 . 7 1 1 A 22 22 LEU CA C 22 55.382 57.271 -1.889 1
1 67 . 7 1 1 A 22 22 LEU CB C 22 42.077 29.843 12.234 1
1 70 . 7 1 1 A 22 22 LEU N N 22 121.062 115.879 5.183 1
1 71 . 7 1 1 A 23 23 SER H H 23 8.155 7.895 0.260 1
1 72 . 7 1 1 A 23 23 SER HA H 23 3.913 4.812 -0.899 1
1 75 . 7 1 1 A 23 23 SER CA C 23 63.166 53.301 9.865 1
1 76 . 7 1 1 A 23 23 SER CB C 23 62.894 42.294 20.600 1
1 77 . 7 1 1 A 23 23 SER N N 23 114.448 119.001 -4.553 1
1 78 . 7 1 1 A 24 24 CYS H H 24 7.630 8.893 -1.263 1
1 79 . 7 1 1 A 24 24 CYS HA H 24 4.389 3.856 0.533 1
1 82 . 7 1 1 A 24 24 CYS CB C 24 37.631 18.337 19.294 1
1 83 . 7 1 1 A 24 24 CYS N N 24 120.980 128.021 -7.041 1
1 84 . 7 1 1 A 25 25 GLN H H 25 8.056 7.580 0.476 1
1 85 . 7 1 1 A 25 25 GLN HA H 25 4.031 4.553 -0.522 1
1 91 . 7 1 1 A 25 25 GLN CA C 25 59.555 56.016 3.539 1
1 92 . 7 1 1 A 25 25 GLN CB C 25 30.148 38.577 -8.429 1
1 94 . 7 1 1 A 25 25 GLN N N 25 118.033 116.644 1.389 1
1 96 . 7 1 1 A 26 26 MET H H 26 8.246 7.728 0.518 1
1 97 . 7 1 1 A 26 26 MET HA H 26 3.889 4.079 -0.190 1
1 105 . 7 1 1 A 26 26 MET CA C 26 61.790 64.695 -2.905 1
1 106 . 7 1 1 A 26 26 MET CB C 26 35.426 31.916 3.510 1
1 109 . 7 1 1 A 26 26 MET N N 26 118.732 119.436 -0.704 1
1 110 . 7 1 1 A 27 27 CYS H H 27 8.415 7.537 0.878 1
1 111 . 7 1 1 A 27 27 CYS HA H 27 4.100 3.993 0.107 1
1 114 . 7 1 1 A 27 27 CYS CA C 27 61.807 63.951 -2.144 1
1 115 . 7 1 1 A 27 27 CYS CB C 27 42.874 37.630 5.244 1
1 116 . 7 1 1 A 27 27 CYS N N 27 121.237 121.268 -0.031 1
1 117 . 7 1 1 A 28 28 GLU H H 28 8.581 8.198 0.383 1
1 118 . 7 1 1 A 28 28 GLU HA H 28 3.974 4.067 -0.093 1
1 123 . 7 1 1 A 28 28 GLU CA C 28 59.558 59.291 0.267 1
1 125 . 7 1 1 A 28 28 GLU N N 28 118.019 120.369 -2.350 1
1 126 . 7 1 1 A 29 29 LEU H H 29 7.881 7.462 0.419 1
1 127 . 7 1 1 A 29 29 LEU HA H 29 4.346 4.176 0.170 1
1 137 . 7 1 1 A 29 29 LEU CA C 29 57.877 59.752 -1.875 1
1 138 . 7 1 1 A 29 29 LEU CB C 29 42.067 32.337 9.730 1
1 142 . 7 1 1 A 29 29 LEU N N 29 122.680 119.885 2.795 1
1 143 . 7 1 1 A 30 30 VAL H H 30 8.251 8.336 -0.085 1
1 144 . 7 1 1 A 30 30 VAL HA H 30 3.315 4.330 -1.015 1
1 152 . 7 1 1 A 30 30 VAL CA C 30 64.085 57.352 6.733 1
1 153 . 7 1 1 A 30 30 VAL CB C 30 32.374 40.585 -8.211 1
1 156 . 7 1 1 A 30 30 VAL N N 30 120.953 119.705 1.248 1
1 157 . 7 1 1 A 31 31 VAL H H 31 8.071 8.741 -0.670 1
1 158 . 7 1 1 A 31 31 VAL HA H 31 3.340 4.088 -0.748 1
1 166 . 7 1 1 A 31 31 VAL CA C 31 67.602 62.239 5.363 1
1 167 . 7 1 1 A 31 31 VAL CB C 31 31.803 39.112 -7.309 1
1 170 . 7 1 1 A 31 31 VAL N N 31 118.979 120.950 -1.971 1
1 171 . 7 1 1 A 32 32 LYS H H 32 8.088 8.331 -0.243 1
1 172 . 7 1 1 A 32 32 LYS HA H 32 4.096 4.367 -0.271 1
1 178 . 7 1 1 A 32 32 LYS CA C 32 59.838 57.903 1.935 1
1 179 . 7 1 1 A 32 32 LYS CB C 32 32.651 42.056 -9.405 1
1 183 . 7 1 1 A 32 32 LYS N N 32 119.226 119.566 -0.340 1
1 184 . 7 1 1 A 33 33 LYS H H 33 8.460 8.452 0.008 1
1 185 . 7 1 1 A 33 33 LYS HA H 33 4.176 4.084 0.092 1
1 194 . 7 1 1 A 33 33 LYS CA C 33 57.066 55.207 1.859 1
1 195 . 7 1 1 A 33 33 LYS CB C 33 31.540 18.428 13.112 1
1 199 . 7 1 1 A 33 33 LYS N N 33 118.868 120.903 -2.035 1
1 200 . 7 1 1 A 34 34 TYR H H 34 8.966 7.901 1.065 1
1 201 . 7 1 1 A 34 34 TYR HA H 34 3.935 3.862 0.073 1
1 205 . 7 1 1 A 34 34 TYR CA C 34 62.301 59.063 3.238 1
1 206 . 7 1 1 A 34 34 TYR CB C 34 39.007 29.369 9.638 1
1 207 . 7 1 1 A 34 34 TYR N N 34 121.940 117.341 4.599 1
1 208 . 7 1 1 A 35 35 GLU H H 35 8.980 8.432 0.548 1
1 209 . 7 1 1 A 35 35 GLU HA H 35 3.898 4.281 -0.383 1
1 214 . 7 1 1 A 35 35 GLU CA C 35 58.979 59.968 -0.989 1
1 215 . 7 1 1 A 35 35 GLU CB C 35 29.876 41.713 -11.837 1
1 217 . 7 1 1 A 35 35 GLU N N 35 118.239 118.027 0.212 1
1 218 . 7 1 1 A 36 36 GLY H H 36 7.696 8.067 -0.371 1
1 221 . 7 1 1 A 36 36 GLY CA C 36 45.055 59.396 -14.341 1
1 222 . 7 1 1 A 36 36 GLY N N 36 103.730 120.305 -16.575 1
1 223 . 7 1 1 A 37 37 SER H H 37 6.977 7.716 -0.739 1
1 224 . 7 1 1 A 37 37 SER HA H 37 4.364 4.115 0.249 1
1 227 . 7 1 1 A 37 37 SER CA C 37 57.087 58.797 -1.710 1
1 228 . 7 1 1 A 37 37 SER CB C 37 63.450 31.418 32.032 1
1 229 . 7 1 1 A 37 37 SER N N 37 115.525 118.345 -2.820 1
1 230 . 7 1 1 A 38 38 ALA H H 38 8.918 9.178 -0.260 1
1 231 . 7 1 1 A 38 38 ALA HA H 38 4.153 3.860 0.293 1
1 235 . 7 1 1 A 38 38 ALA CA C 38 54.285 57.592 -3.307 1
1 236 . 7 1 1 A 38 38 ALA CB C 38 18.784 41.497 -22.713 1
1 237 . 7 1 1 A 38 38 ALA N N 38 131.315 121.801 9.514 1
1 238 . 7 1 1 A 39 39 ASP H H 39 7.712 8.265 -0.553 1
1 239 . 7 1 1 A 39 39 ASP HA H 39 4.578 4.653 -0.075 1
1 242 . 7 1 1 A 39 39 ASP CA C 39 52.907 57.784 -4.877 1
1 243 . 7 1 1 A 39 39 ASP CB C 39 41.519 38.349 3.170 1
1 244 . 7 1 1 A 39 39 ASP N N 39 114.785 116.604 -1.819 1
1 245 . 7 1 1 A 40 40 LYS H H 40 8.386 7.848 0.538 1
1 246 . 7 1 1 A 40 40 LYS HA H 40 3.604 4.178 -0.574 1
1 255 . 7 1 1 A 40 40 LYS CA C 40 54.835 59.442 -4.607 1
1 256 . 7 1 1 A 40 40 LYS CB C 40 29.039 30.206 -1.167 1
1 260 . 7 1 1 A 40 40 LYS N N 40 119.226 118.806 0.420 1
1 261 . 7 1 1 A 41 41 ASP H H 41 7.523 7.034 0.489 1
1 262 . 7 1 1 A 41 41 ASP HA H 41 4.376 4.228 0.148 1
1 265 . 7 1 1 A 41 41 ASP CA C 41 54.330 60.150 -5.820 1
1 266 . 7 1 1 A 41 41 ASP CB C 41 42.108 66.884 -24.776 1
1 267 . 7 1 1 A 41 41 ASP N N 41 119.226 113.132 6.094 1
1 268 . 7 1 1 A 42 42 ALA H H 42 9.017 7.759 1.258 1
1 269 . 7 1 1 A 42 42 ALA HA H 42 3.860 4.569 -0.709 1
1 273 . 7 1 1 A 42 42 ALA CA C 42 55.680 57.805 -2.125 1
1 274 . 7 1 1 A 42 42 ALA CB C 42 19.315 41.768 -22.453 1
1 275 . 7 1 1 A 42 42 ALA N N 42 130.822 127.628 3.194 1
1 277 . 7 1 1 A 43 43 ASN HA H 43 4.386 3.892 0.494 1
1 280 . 7 1 1 A 43 43 ASN CA C 43 56.511 63.157 -6.646 1
1 281 . 7 1 1 A 43 43 ASN CB C 43 38.255 30.708 7.547 1
1 282 . 7 1 1 A 43 43 ASN N N 43 114.785 140.242 -25.457 1
1 283 . 7 1 1 A 44 44 VAL H H 44 7.510 8.360 -0.850 1
1 284 . 7 1 1 A 44 44 VAL HA H 44 3.601 4.102 -0.501 1
1 292 . 7 1 1 A 44 44 VAL CA C 44 66.228 59.474 6.754 1
1 293 . 7 1 1 A 44 44 VAL CB C 44 33.117 36.572 -3.455 1
1 296 . 7 1 1 A 44 44 VAL N N 44 123.173 116.742 6.431 1
1 297 . 7 1 1 A 45 45 ILE H H 45 8.084 8.076 0.008 1
1 308 . 7 1 1 A 45 45 ILE CA C 45 65.113 47.412 17.701 1
1 313 . 7 1 1 A 45 45 ILE N N 45 120.213 107.721 12.492 1
1 314 . 7 1 1 A 46 46 LYS H H 46 8.393 8.243 0.150 1
1 315 . 7 1 1 A 46 46 LYS HA H 46 3.809 4.150 -0.341 1
1 320 . 7 1 1 A 46 46 LYS CA C 46 62.030 65.341 -3.311 1
1 321 . 7 1 1 A 46 46 LYS CB C 46 32.915 68.303 -35.388 1
1 324 . 7 1 1 A 46 46 LYS N N 46 118.239 116.252 1.987 1
1 325 . 7 1 1 A 47 47 LYS H H 47 7.469 8.091 -0.622 1
1 326 . 7 1 1 A 47 47 LYS HA H 47 4.128 4.067 0.061 1
1 332 . 7 1 1 A 47 47 LYS CA C 47 59.824 59.971 -0.147 1
1 333 . 7 1 1 A 47 47 LYS CB C 47 32.656 29.752 2.904 1
1 337 . 7 1 1 A 47 47 LYS N N 47 119.719 122.097 -2.378 1
1 338 . 7 1 1 A 48 48 ASP H H 48 8.697 8.362 0.335 1
1 339 . 7 1 1 A 48 48 ASP HA H 48 4.483 4.132 0.351 1
1 342 . 7 1 1 A 48 48 ASP CA C 48 57.054 59.217 -2.163 1
1 343 . 7 1 1 A 48 48 ASP CB C 48 40.422 28.727 11.695 1
1 344 . 7 1 1 A 48 48 ASP N N 48 122.433 118.410 4.023 1
1 345 . 7 1 1 A 49 49 PHE H H 49 9.328 8.287 1.041 1
1 346 . 7 1 1 A 49 49 PHE HA H 49 3.820 4.590 -0.770 1
1 351 . 7 1 1 A 49 49 PHE CA C 49 62.071 59.991 2.080 1
1 352 . 7 1 1 A 49 49 PHE CB C 49 39.041 41.866 -2.825 1
1 353 . 7 1 1 A 49 49 PHE N N 49 120.502 118.772 1.730 1
1 354 . 7 1 1 A 50 50 ASP H H 50 8.603 7.957 0.646 1
1 355 . 7 1 1 A 50 50 ASP HA H 50 3.855 4.513 -0.658 1
1 358 . 7 1 1 A 50 50 ASP CA C 50 57.655 57.002 0.653 1
1 359 . 7 1 1 A 50 50 ASP CB C 50 41.246 40.766 0.480 1
1 360 . 7 1 1 A 50 50 ASP N N 50 120.706 121.786 -1.080 1
1 361 . 7 1 1 A 51 51 ALA H H 51 7.510 7.837 -0.327 1
1 362 . 7 1 1 A 51 51 ALA HA H 51 3.982 4.537 -0.555 1
1 366 . 7 1 1 A 51 51 ALA CA C 51 56.311 56.804 -0.493 1
1 367 . 7 1 1 A 51 51 ALA CB C 51 18.201 29.529 -11.328 1
1 368 . 7 1 1 A 51 51 ALA N N 51 117.499 119.477 -1.978 1
1 369 . 7 1 1 A 52 52 GLU H H 52 7.604 7.959 -0.355 1
1 370 . 7 1 1 A 52 52 GLU HA H 52 3.941 4.500 -0.559 1
1 374 . 7 1 1 A 52 52 GLU CA C 52 59.294 59.959 -0.665 1
1 375 . 7 1 1 A 52 52 GLU CB C 52 29.581 40.096 -10.515 1
1 377 . 7 1 1 A 52 52 GLU N N 52 118.979 119.844 -0.865 1
1 378 . 7 1 1 A 53 53 CYS H H 53 9.106 7.326 1.780 1
1 379 . 7 1 1 A 53 53 CYS HA H 53 3.502 3.772 -0.270 1
1 382 . 7 1 1 A 53 53 CYS CA C 53 60.943 60.952 -0.009 1
1 383 . 7 1 1 A 53 53 CYS CB C 53 37.388 30.899 6.489 1
1 384 . 7 1 1 A 53 53 CYS N N 53 120.292 113.051 7.241 1
1 385 . 7 1 1 A 54 54 LYS H H 54 7.888 8.259 -0.371 1
1 386 . 7 1 1 A 54 54 LYS HA H 54 3.634 4.879 -1.245 1
1 394 . 7 1 1 A 54 54 LYS CA C 54 60.379 52.411 7.968 1
1 395 . 7 1 1 A 54 54 LYS CB C 54 32.093 38.808 -6.715 1
1 399 . 7 1 1 A 54 54 LYS N N 54 117.499 121.014 -3.515 1
1 400 . 7 1 1 A 55 55 LYS H H 55 7.300 7.851 -0.551 1
1 401 . 7 1 1 A 55 55 LYS HA H 55 4.028 4.567 -0.539 1
1 408 . 7 1 1 A 55 55 LYS CA C 55 59.571 59.145 0.426 1
1 409 . 7 1 1 A 55 55 LYS CB C 55 32.647 65.589 -32.942 1
1 412 . 7 1 1 A 55 55 LYS N N 55 120.213 113.671 6.542 1
1 413 . 7 1 1 A 56 56 LEU H H 56 8.074 7.942 0.132 1
1 414 . 7 1 1 A 56 56 LEU HA H 56 3.848 4.273 -0.425 1
1 424 . 7 1 1 A 56 56 LEU CA C 56 57.354 55.454 1.900 1
1 425 . 7 1 1 A 56 56 LEU CB C 56 41.816 32.850 8.966 1
1 429 . 7 1 1 A 56 56 LEU N N 56 119.719 118.489 1.230 1
1 430 . 7 1 1 A 57 57 PHE H H 57 8.054 7.557 0.497 1
1 431 . 7 1 1 A 57 57 PHE HA H 57 4.983 3.754 1.229 1
1 436 . 7 1 1 A 57 57 PHE CA C 57 56.470 63.965 -7.495 1
1 437 . 7 1 1 A 57 57 PHE CB C 57 37.916 31.963 5.953 1
1 438 . 7 1 1 A 57 57 PHE N N 57 113.798 118.188 -4.390 1
1 439 . 7 1 1 A 58 58 HIS H H 58 7.523 7.767 -0.244 1
1 440 . 7 1 1 A 58 58 HIS HA H 58 4.448 4.345 0.103 1
1 443 . 7 1 1 A 58 58 HIS CA C 58 59.037 59.360 -0.323 1
1 444 . 7 1 1 A 58 58 HIS CB C 58 27.942 39.951 -12.009 1
1 445 . 7 1 1 A 58 58 HIS N N 58 116.758 120.824 -4.066 1
1 447 . 7 1 1 A 59 59 THR HA H 59 4.085 4.664 -0.579 1
1 452 . 7 1 1 A 59 59 THR CA C 59 62.033 65.523 -3.490 1
1 453 . 7 1 1 A 59 59 THR CB C 59 68.425 30.455 37.970 1
1 455 . 7 1 1 A 59 59 THR N N 59 108.123 134.931 -26.808 1
1 456 . 7 1 1 A 60 60 ILE H H 60 7.540 7.431 0.109 1
1 457 . 7 1 1 A 60 60 ILE HA H 60 4.444 3.540 0.904 1
1 467 . 7 1 1 A 60 60 ILE CA C 60 58.167 64.379 -6.212 1
1 468 . 7 1 1 A 60 60 ILE CB C 60 38.745 37.762 0.983 1
1 472 . 7 1 1 A 60 60 ILE N N 60 124.900 116.013 8.887 1
1 473 . 7 1 1 A 61 61 PRO HA H 61 4.105 4.085 0.020 1
1 480 . 7 1 1 A 61 61 PRO CA C 61 64.800 63.831 0.969 1
1 481 . 7 1 1 A 61 61 PRO CB C 61 31.271 36.948 -5.677 1
1 484 . 7 1 1 A 62 62 PHE HA H 62 4.560 4.485 0.075 1
1 487 . 7 1 1 A 62 62 PHE CA C 62 58.476 58.293 0.183 1
1 488 . 7 1 1 A 62 62 PHE CB C 62 37.121 28.214 8.907 1
1 489 . 7 1 1 A 63 63 GLY H H 63 8.543 7.952 0.591 1
1 492 . 7 1 1 A 63 63 GLY CA C 63 47.897 58.813 -10.916 1
1 493 . 7 1 1 A 63 63 GLY N N 63 110.590 121.938 -11.348 1
1 494 . 7 1 1 A 64 64 THR H H 64 8.513 8.110 0.403 1
1 495 . 7 1 1 A 64 64 THR HA H 64 4.206 4.469 -0.263 1
1 500 . 7 1 1 A 64 64 THR CA C 64 67.646 58.053 9.593 1
1 501 . 7 1 1 A 64 64 THR CB C 64 67.349 41.388 25.961 1
1 503 . 7 1 1 A 64 64 THR N N 64 114.538 119.771 -5.233 1
1 504 . 7 1 1 A 65 65 ARG H H 65 7.519 9.238 -1.719 1
1 505 . 7 1 1 A 65 65 ARG HA H 65 4.177 4.161 0.016 1
1 512 . 7 1 1 A 65 65 ARG CA C 65 55.799 58.949 -3.150 1
1 513 . 7 1 1 A 65 65 ARG CB C 65 30.146 29.149 0.997 1
1 516 . 7 1 1 A 65 65 ARG N N 65 121.940 118.060 3.880 1
1 517 . 7 1 1 A 66 66 GLU H H 66 8.453 8.193 0.260 1
1 523 . 7 1 1 A 66 66 GLU CA C 66 58.981 46.998 11.983 1
1 526 . 7 1 1 A 66 66 GLU N N 66 120.459 108.320 12.139 1
1 527 . 7 1 1 A 67 67 CYS H H 67 8.467 7.985 0.482 1
1 531 . 7 1 1 A 67 67 CYS CA C 67 59.277 45.056 14.221 1
1 533 . 7 1 1 A 67 67 CYS N N 67 121.446 106.028 15.418 1
1 534 . 7 1 1 A 68 68 ASP H H 68 8.002 7.998 0.004 1
1 535 . 7 1 1 A 68 68 ASP HA H 68 4.514 4.682 -0.168 1
1 538 . 7 1 1 A 68 68 ASP CA C 68 57.902 61.124 -3.222 1
1 539 . 7 1 1 A 68 68 ASP CB C 68 40.393 71.513 -31.120 1
1 540 . 7 1 1 A 68 68 ASP N N 68 120.459 114.719 5.740 1
1 541 . 7 1 1 A 69 69 HIS H H 69 8.564 8.710 -0.146 1
1 542 . 7 1 1 A 69 69 HIS HA H 69 4.510 4.521 -0.011 1
1 545 . 7 1 1 A 69 69 HIS CA C 69 58.127 50.905 7.222 1
1 546 . 7 1 1 A 69 69 HIS CB C 69 28.480 18.256 10.224 1
1 547 . 7 1 1 A 69 69 HIS N N 69 119.246 127.399 -8.153 1
1 549 . 7 1 1 A 70 70 TYR HA H 70 3.706 4.566 -0.860 1
1 553 . 7 1 1 A 70 70 TYR CA C 70 63.989 64.261 -0.272 1
1 554 . 7 1 1 A 70 70 TYR CB C 70 40.145 31.730 8.415 1
1 555 . 7 1 1 A 70 70 TYR N N 70 125.887 134.310 -8.423 1
1 556 . 7 1 1 A 71 71 VAL H H 71 8.295 8.707 -0.412 1
1 557 . 7 1 1 A 71 71 VAL HA H 71 3.554 4.278 -0.724 1
1 565 . 7 1 1 A 71 71 VAL CA C 71 67.021 56.877 10.144 1
1 566 . 7 1 1 A 71 71 VAL CB C 71 32.084 32.704 -0.620 1
1 569 . 7 1 1 A 71 71 VAL N N 71 118.239 115.669 2.570 1
1 570 . 7 1 1 A 72 72 ASN H H 72 7.511 7.831 -0.320 1
1 571 . 7 1 1 A 72 72 ASN HA H 72 4.558 4.734 -0.176 1
1 574 . 7 1 1 A 72 72 ASN CA C 72 55.116 56.115 -0.999 1
1 575 . 7 1 1 A 72 72 ASN CB C 72 39.569 41.645 -2.076 1
1 576 . 7 1 1 A 72 72 ASN N N 72 116.018 119.664 -3.646 1
1 577 . 7 1 1 A 73 73 SER H H 73 7.709 7.746 -0.037 1
1 578 . 7 1 1 A 73 73 SER HA H 73 4.633 3.442 1.191 1
1 581 . 7 1 1 A 73 73 SER CA C 73 59.832 66.929 -7.097 1
1 582 . 7 1 1 A 73 73 SER CB C 73 65.899 31.308 34.591 1
1 583 . 7 1 1 A 73 73 SER N N 73 110.837 119.696 -8.859 1
1 584 . 7 1 1 A 74 74 LYS H H 74 7.942 7.886 0.056 1
1 585 . 7 1 1 A 74 74 LYS HA H 74 4.280 4.760 -0.480 1
1 593 . 7 1 1 A 74 74 LYS CA C 74 55.124 55.799 -0.675 1
1 594 . 7 1 1 A 74 74 LYS CB C 74 33.198 40.609 -7.411 1
1 598 . 7 1 1 A 74 74 LYS N N 74 120.706 115.762 4.944 1
1 599 . 7 1 1 A 75 75 VAL H H 75 7.227 8.611 -1.384 1
1 600 . 7 1 1 A 75 75 VAL HA H 75 3.315 4.525 -1.210 1
1 608 . 7 1 1 A 75 75 VAL CA C 75 67.599 63.568 4.031 1
1 609 . 7 1 1 A 75 75 VAL CB C 75 31.540 70.161 -38.621 1
1 612 . 7 1 1 A 75 75 VAL N N 75 120.147 116.192 3.955 1
1 613 . 7 1 1 A 76 76 ASP H H 76 8.851 8.326 0.525 1
1 614 . 7 1 1 A 76 76 ASP HA H 76 4.402 4.210 0.192 1
1 617 . 7 1 1 A 76 76 ASP CA C 76 59.568 57.837 1.731 1
1 618 . 7 1 1 A 76 76 ASP CB C 76 37.667 32.323 5.344 1
1 619 . 7 1 1 A 76 76 ASP N N 76 117.992 119.593 -1.601 1
1 620 . 7 1 1 A 77 77 PRO HA H 77 4.158 4.271 -0.113 1
1 626 . 7 1 1 A 77 77 PRO CA C 77 66.237 55.044 11.193 1
1 627 . 7 1 1 A 77 77 PRO CB C 77 31.347 42.077 -10.730 1
1 630 . 7 1 1 A 78 78 ILE H H 78 7.243 8.162 -0.919 1
1 631 . 7 1 1 A 78 78 ILE HA H 78 3.315 4.380 -1.065 1
1 641 . 7 1 1 A 78 78 ILE CA C 78 65.957 54.642 11.315 1
1 642 . 7 1 1 A 78 78 ILE CB C 78 38.787 37.452 1.335 1
1 646 . 7 1 1 A 78 78 ILE N N 78 119.472 115.732 3.740 1
1 647 . 7 1 1 A 79 79 ILE H H 79 8.180 8.352 -0.172 1
1 648 . 7 1 1 A 79 79 ILE HA H 79 3.218 4.501 -1.283 1
1 658 . 7 1 1 A 79 79 ILE CA C 79 65.939 55.854 10.085 1
1 659 . 7 1 1 A 79 79 ILE CB C 79 37.344 29.289 8.055 1
1 663 . 7 1 1 A 79 79 ILE N N 79 119.472 114.326 5.146 1
1 664 . 7 1 1 A 80 80 HIS H H 80 8.671 7.788 0.883 1
1 665 . 7 1 1 A 80 80 HIS HA H 80 4.351 4.901 -0.550 1
1 670 . 7 1 1 A 80 80 HIS CA C 80 58.731 55.630 3.101 1
1 671 . 7 1 1 A 80 80 HIS CB C 80 27.913 45.861 -17.948 1
1 672 . 7 1 1 A 80 80 HIS N N 80 117.252 117.590 -0.338 1
1 1 . 8 1 1 A 12 12 SER H H 12 8.509 8.270 0.239 1
1 2 . 8 1 1 A 12 12 SER HA H 12 4.430 4.023 0.407 1
1 4 . 8 1 1 A 12 12 SER N N 12 118.485 117.162 1.323 1
1 5 . 8 1 1 A 13 13 GLY H H 13 8.404 8.031 0.373 1
1 7 . 8 1 1 A 13 13 GLY N N 13 111.084 118.991 -7.907 1
1 8 . 8 1 1 A 14 14 ILE H H 14 8.006 8.248 -0.242 1
1 9 . 8 1 1 A 14 14 ILE HA H 14 4.086 4.024 0.062 1
1 14 . 8 1 1 A 14 14 ILE N N 14 119.966 122.430 -2.464 1
1 15 . 8 1 1 A 15 15 GLU H H 15 8.528 7.894 0.634 1
1 16 . 8 1 1 A 15 15 GLU HA H 15 4.197 4.178 0.019 1
1 19 . 8 1 1 A 15 15 GLU N N 15 124.654 118.988 5.666 1
1 20 . 8 1 1 A 16 16 GLY H H 16 8.343 8.594 -0.251 1
1 22 . 8 1 1 A 16 16 GLY N N 16 110.097 121.059 -10.962 1
1 23 . 8 1 1 A 17 17 ARG H H 17 8.143 8.913 -0.770 1
1 24 . 8 1 1 A 17 17 ARG HA H 17 4.319 3.784 0.535 1
1 28 . 8 1 1 A 17 17 ARG N N 17 120.459 118.777 1.682 1
1 29 . 8 1 1 A 18 18 GLY H H 18 8.477 8.079 0.398 1
1 30 . 8 1 1 A 18 18 GLY HA2 H 18 3.894 4.155 -0.261 1
1 31 . 8 1 1 A 18 18 GLY N N 18 110.097 108.071 2.026 1
1 32 . 8 1 1 A 19 19 ARG H H 19 8.105 7.787 0.318 1
1 33 . 8 1 1 A 19 19 ARG HA H 19 4.283 4.546 -0.263 1
1 38 . 8 1 1 A 19 19 ARG CA C 19 56.218 60.859 -4.641 1
1 39 . 8 1 1 A 19 19 ARG CB C 19 30.987 64.990 -34.003 1
1 42 . 8 1 1 A 19 19 ARG N N 19 120.706 114.549 6.157 1
1 43 . 8 1 1 A 20 20 SER H H 20 8.553 8.029 0.524 1
1 44 . 8 1 1 A 20 20 SER HA H 20 4.432 4.128 0.304 1
1 47 . 8 1 1 A 20 20 SER CA C 20 58.189 53.721 4.468 1
1 48 . 8 1 1 A 20 20 SER CB C 20 63.967 18.084 45.883 1
1 49 . 8 1 1 A 20 20 SER N N 20 117.992 121.766 -3.774 1
1 50 . 8 1 1 A 21 21 ALA H H 21 8.233 8.105 0.128 1
1 51 . 8 1 1 A 21 21 ALA HA H 21 4.167 4.873 -0.706 1
1 55 . 8 1 1 A 21 21 ALA CA C 21 53.662 53.833 -0.171 1
1 56 . 8 1 1 A 21 21 ALA CB C 21 18.745 41.707 -22.962 1
1 57 . 8 1 1 A 21 21 ALA N N 21 126.792 116.366 10.426 1
1 58 . 8 1 1 A 22 22 LEU H H 22 8.402 7.909 0.493 1
1 59 . 8 1 1 A 22 22 LEU HA H 22 4.036 3.979 0.057 1
1 66 . 8 1 1 A 22 22 LEU CA C 22 55.382 57.380 -1.998 1
1 67 . 8 1 1 A 22 22 LEU CB C 22 42.077 29.668 12.409 1
1 70 . 8 1 1 A 22 22 LEU N N 22 121.062 117.007 4.055 1
1 71 . 8 1 1 A 23 23 SER H H 23 8.155 8.006 0.149 1
1 72 . 8 1 1 A 23 23 SER HA H 23 3.913 5.002 -1.089 1
1 75 . 8 1 1 A 23 23 SER CA C 23 63.166 52.704 10.462 1
1 76 . 8 1 1 A 23 23 SER CB C 23 62.894 42.410 20.484 1
1 77 . 8 1 1 A 23 23 SER N N 23 114.448 119.220 -4.772 1
1 78 . 8 1 1 A 24 24 CYS H H 24 7.630 8.924 -1.294 1
1 79 . 8 1 1 A 24 24 CYS HA H 24 4.389 4.085 0.304 1
1 82 . 8 1 1 A 24 24 CYS CB C 24 37.631 18.566 19.065 1
1 83 . 8 1 1 A 24 24 CYS N N 24 120.980 128.651 -7.671 1
1 84 . 8 1 1 A 25 25 GLN H H 25 8.056 7.965 0.091 1
1 85 . 8 1 1 A 25 25 GLN HA H 25 4.031 4.635 -0.604 1
1 91 . 8 1 1 A 25 25 GLN CA C 25 59.555 55.430 4.125 1
1 92 . 8 1 1 A 25 25 GLN CB C 25 30.148 39.258 -9.110 1
1 94 . 8 1 1 A 25 25 GLN N N 25 118.033 116.418 1.615 1
1 96 . 8 1 1 A 26 26 MET H H 26 8.246 7.857 0.389 1
1 97 . 8 1 1 A 26 26 MET HA H 26 3.889 3.981 -0.092 1
1 105 . 8 1 1 A 26 26 MET CA C 26 61.790 65.099 -3.309 1
1 106 . 8 1 1 A 26 26 MET CB C 26 35.426 31.682 3.744 1
1 109 . 8 1 1 A 26 26 MET N N 26 118.732 119.413 -0.681 1
1 110 . 8 1 1 A 27 27 CYS H H 27 8.415 7.480 0.935 1
1 111 . 8 1 1 A 27 27 CYS HA H 27 4.100 3.961 0.139 1
1 114 . 8 1 1 A 27 27 CYS CA C 27 61.807 63.973 -2.166 1
1 115 . 8 1 1 A 27 27 CYS CB C 27 42.874 38.015 4.859 1
1 116 . 8 1 1 A 27 27 CYS N N 27 121.237 121.165 0.072 1
1 117 . 8 1 1 A 28 28 GLU H H 28 8.581 7.909 0.672 1
1 118 . 8 1 1 A 28 28 GLU HA H 28 3.974 4.014 -0.040 1
1 123 . 8 1 1 A 28 28 GLU CA C 28 59.558 59.051 0.507 1
1 125 . 8 1 1 A 28 28 GLU N N 28 118.019 120.636 -2.617 1
1 126 . 8 1 1 A 29 29 LEU H H 29 7.881 7.543 0.338 1
1 127 . 8 1 1 A 29 29 LEU HA H 29 4.346 4.158 0.188 1
1 137 . 8 1 1 A 29 29 LEU CA C 29 57.877 59.662 -1.785 1
1 138 . 8 1 1 A 29 29 LEU CB C 29 42.067 32.460 9.607 1
1 142 . 8 1 1 A 29 29 LEU N N 29 122.680 119.628 3.052 1
1 143 . 8 1 1 A 30 30 VAL H H 30 8.251 7.926 0.325 1
1 144 . 8 1 1 A 30 30 VAL HA H 30 3.315 4.302 -0.987 1
1 152 . 8 1 1 A 30 30 VAL CA C 30 64.085 57.295 6.790 1
1 153 . 8 1 1 A 30 30 VAL CB C 30 32.374 40.669 -8.295 1
1 156 . 8 1 1 A 30 30 VAL N N 30 120.953 119.897 1.056 1
1 157 . 8 1 1 A 31 31 VAL H H 31 8.071 8.342 -0.271 1
1 158 . 8 1 1 A 31 31 VAL HA H 31 3.340 4.026 -0.686 1
1 166 . 8 1 1 A 31 31 VAL CA C 31 67.602 62.323 5.279 1
1 167 . 8 1 1 A 31 31 VAL CB C 31 31.803 39.095 -7.292 1
1 170 . 8 1 1 A 31 31 VAL N N 31 118.979 121.147 -2.168 1
1 171 . 8 1 1 A 32 32 LYS H H 32 8.088 8.406 -0.318 1
1 172 . 8 1 1 A 32 32 LYS HA H 32 4.096 4.504 -0.408 1
1 178 . 8 1 1 A 32 32 LYS CA C 32 59.838 57.203 2.635 1
1 179 . 8 1 1 A 32 32 LYS CB C 32 32.651 41.371 -8.720 1
1 183 . 8 1 1 A 32 32 LYS N N 32 119.226 119.472 -0.246 1
1 184 . 8 1 1 A 33 33 LYS H H 33 8.460 8.335 0.125 1
1 185 . 8 1 1 A 33 33 LYS HA H 33 4.176 4.020 0.156 1
1 194 . 8 1 1 A 33 33 LYS CA C 33 57.066 55.290 1.776 1
1 195 . 8 1 1 A 33 33 LYS CB C 33 31.540 18.695 12.845 1
1 199 . 8 1 1 A 33 33 LYS N N 33 118.868 121.919 -3.051 1
1 200 . 8 1 1 A 34 34 TYR H H 34 8.966 7.764 1.202 1
1 201 . 8 1 1 A 34 34 TYR HA H 34 3.935 4.063 -0.128 1
1 205 . 8 1 1 A 34 34 TYR CA C 34 62.301 56.312 5.989 1
1 206 . 8 1 1 A 34 34 TYR CB C 34 39.007 29.165 9.842 1
1 207 . 8 1 1 A 34 34 TYR N N 34 121.940 117.363 4.577 1
1 208 . 8 1 1 A 35 35 GLU H H 35 8.980 7.905 1.075 1
1 209 . 8 1 1 A 35 35 GLU HA H 35 3.898 4.518 -0.620 1
1 214 . 8 1 1 A 35 35 GLU CA C 35 58.979 56.961 2.018 1
1 215 . 8 1 1 A 35 35 GLU CB C 35 29.876 43.395 -13.519 1
1 217 . 8 1 1 A 35 35 GLU N N 35 118.239 117.479 0.760 1
1 218 . 8 1 1 A 36 36 GLY H H 36 7.696 8.418 -0.722 1
1 221 . 8 1 1 A 36 36 GLY CA C 36 45.055 59.639 -14.584 1
1 222 . 8 1 1 A 36 36 GLY N N 36 103.730 120.657 -16.927 1
1 223 . 8 1 1 A 37 37 SER H H 37 6.977 7.730 -0.753 1
1 224 . 8 1 1 A 37 37 SER HA H 37 4.364 4.074 0.290 1
1 227 . 8 1 1 A 37 37 SER CA C 37 57.087 58.824 -1.737 1
1 228 . 8 1 1 A 37 37 SER CB C 37 63.450 31.617 31.833 1
1 229 . 8 1 1 A 37 37 SER N N 37 115.525 118.611 -3.086 1
1 230 . 8 1 1 A 38 38 ALA H H 38 8.918 7.609 1.309 1
1 231 . 8 1 1 A 38 38 ALA HA H 38 4.153 3.857 0.296 1
1 235 . 8 1 1 A 38 38 ALA CA C 38 54.285 57.826 -3.541 1
1 236 . 8 1 1 A 38 38 ALA CB C 38 18.784 41.576 -22.792 1
1 237 . 8 1 1 A 38 38 ALA N N 38 131.315 121.233 10.082 1
1 238 . 8 1 1 A 39 39 ASP H H 39 7.712 8.755 -1.043 1
1 239 . 8 1 1 A 39 39 ASP HA H 39 4.578 4.948 -0.370 1
1 242 . 8 1 1 A 39 39 ASP CA C 39 52.907 55.933 -3.026 1
1 243 . 8 1 1 A 39 39 ASP CB C 39 41.519 38.179 3.340 1
1 244 . 8 1 1 A 39 39 ASP N N 39 114.785 116.194 -1.409 1
1 245 . 8 1 1 A 40 40 LYS H H 40 8.386 7.924 0.462 1
1 246 . 8 1 1 A 40 40 LYS HA H 40 3.604 4.146 -0.542 1
1 255 . 8 1 1 A 40 40 LYS CA C 40 54.835 60.140 -5.305 1
1 256 . 8 1 1 A 40 40 LYS CB C 40 29.039 30.092 -1.053 1
1 260 . 8 1 1 A 40 40 LYS N N 40 119.226 120.420 -1.194 1
1 261 . 8 1 1 A 41 41 ASP H H 41 7.523 8.328 -0.805 1
1 262 . 8 1 1 A 41 41 ASP HA H 41 4.376 3.476 0.900 1
1 265 . 8 1 1 A 41 41 ASP CA C 41 54.330 65.638 -11.308 1
1 266 . 8 1 1 A 41 41 ASP CB C 41 42.108 68.871 -26.763 1
1 267 . 8 1 1 A 41 41 ASP N N 41 119.226 112.877 6.349 1
1 268 . 8 1 1 A 42 42 ALA H H 42 9.017 7.507 1.510 1
1 269 . 8 1 1 A 42 42 ALA HA H 42 3.860 3.875 -0.015 1
1 273 . 8 1 1 A 42 42 ALA CA C 42 55.680 60.259 -4.579 1
1 274 . 8 1 1 A 42 42 ALA CB C 42 19.315 37.236 -17.921 1
1 275 . 8 1 1 A 42 42 ALA N N 42 130.822 121.379 9.443 1
1 277 . 8 1 1 A 43 43 ASN HA H 43 4.386 4.290 0.096 1
1 280 . 8 1 1 A 43 43 ASN CA C 43 56.511 65.104 -8.593 1
1 281 . 8 1 1 A 43 43 ASN CB C 43 38.255 31.763 6.492 1
1 282 . 8 1 1 A 43 43 ASN N N 43 114.785 140.507 -25.722 1
1 283 . 8 1 1 A 44 44 VAL H H 44 7.510 7.396 0.114 1
1 284 . 8 1 1 A 44 44 VAL HA H 44 3.601 4.651 -1.050 1
1 292 . 8 1 1 A 44 44 VAL CA C 44 66.228 56.615 9.613 1
1 293 . 8 1 1 A 44 44 VAL CB C 44 33.117 38.941 -5.824 1
1 296 . 8 1 1 A 44 44 VAL N N 44 123.173 114.352 8.821 1
1 297 . 8 1 1 A 45 45 ILE H H 45 8.084 8.365 -0.281 1
1 308 . 8 1 1 A 45 45 ILE CA C 45 65.113 47.080 18.033 1
1 313 . 8 1 1 A 45 45 ILE N N 45 120.213 109.485 10.728 1
1 314 . 8 1 1 A 46 46 LYS H H 46 8.393 8.442 -0.049 1
1 315 . 8 1 1 A 46 46 LYS HA H 46 3.809 4.099 -0.290 1
1 320 . 8 1 1 A 46 46 LYS CA C 46 62.030 65.612 -3.582 1
1 321 . 8 1 1 A 46 46 LYS CB C 46 32.915 68.273 -35.358 1
1 324 . 8 1 1 A 46 46 LYS N N 46 118.239 116.173 2.066 1
1 325 . 8 1 1 A 47 47 LYS H H 47 7.469 7.957 -0.488 1
1 326 . 8 1 1 A 47 47 LYS HA H 47 4.128 4.016 0.112 1
1 332 . 8 1 1 A 47 47 LYS CA C 47 59.824 60.016 -0.192 1
1 333 . 8 1 1 A 47 47 LYS CB C 47 32.656 30.070 2.586 1
1 337 . 8 1 1 A 47 47 LYS N N 47 119.719 122.752 -3.033 1
1 338 . 8 1 1 A 48 48 ASP H H 48 8.697 8.126 0.571 1
1 339 . 8 1 1 A 48 48 ASP HA H 48 4.483 4.212 0.271 1
1 342 . 8 1 1 A 48 48 ASP CA C 48 57.054 59.483 -2.429 1
1 343 . 8 1 1 A 48 48 ASP CB C 48 40.422 28.928 11.494 1
1 344 . 8 1 1 A 48 48 ASP N N 48 122.433 118.628 3.805 1
1 345 . 8 1 1 A 49 49 PHE H H 49 9.328 8.673 0.655 1
1 346 . 8 1 1 A 49 49 PHE HA H 49 3.820 4.721 -0.901 1
1 351 . 8 1 1 A 49 49 PHE CA C 49 62.071 60.251 1.820 1
1 352 . 8 1 1 A 49 49 PHE CB C 49 39.041 42.214 -3.173 1
1 353 . 8 1 1 A 49 49 PHE N N 49 120.502 119.293 1.209 1
1 354 . 8 1 1 A 50 50 ASP H H 50 8.603 8.416 0.187 1
1 355 . 8 1 1 A 50 50 ASP HA H 50 3.855 4.402 -0.547 1
1 358 . 8 1 1 A 50 50 ASP CA C 50 57.655 57.209 0.446 1
1 359 . 8 1 1 A 50 50 ASP CB C 50 41.246 40.553 0.693 1
1 360 . 8 1 1 A 50 50 ASP N N 50 120.706 121.163 -0.457 1
1 361 . 8 1 1 A 51 51 ALA H H 51 7.510 7.748 -0.238 1
1 362 . 8 1 1 A 51 51 ALA HA H 51 3.982 4.590 -0.608 1
1 366 . 8 1 1 A 51 51 ALA CA C 51 56.311 56.339 -0.028 1
1 367 . 8 1 1 A 51 51 ALA CB C 51 18.201 29.320 -11.119 1
1 368 . 8 1 1 A 51 51 ALA N N 51 117.499 116.429 1.070 1
1 369 . 8 1 1 A 52 52 GLU H H 52 7.604 9.075 -1.471 1
1 370 . 8 1 1 A 52 52 GLU HA H 52 3.941 4.499 -0.558 1
1 374 . 8 1 1 A 52 52 GLU CA C 52 59.294 60.479 -1.185 1
1 375 . 8 1 1 A 52 52 GLU CB C 52 29.581 39.565 -9.984 1
1 377 . 8 1 1 A 52 52 GLU N N 52 118.979 121.014 -2.035 1
1 378 . 8 1 1 A 53 53 CYS H H 53 9.106 8.122 0.984 1
1 379 . 8 1 1 A 53 53 CYS HA H 53 3.502 3.663 -0.161 1
1 382 . 8 1 1 A 53 53 CYS CA C 53 60.943 64.988 -4.045 1
1 383 . 8 1 1 A 53 53 CYS CB C 53 37.388 31.402 5.986 1
1 384 . 8 1 1 A 53 53 CYS N N 53 120.292 117.705 2.587 1
1 385 . 8 1 1 A 54 54 LYS H H 54 7.888 8.152 -0.264 1
1 386 . 8 1 1 A 54 54 LYS HA H 54 3.634 4.867 -1.233 1
1 394 . 8 1 1 A 54 54 LYS CA C 54 60.379 51.901 8.478 1
1 395 . 8 1 1 A 54 54 LYS CB C 54 32.093 38.629 -6.536 1
1 399 . 8 1 1 A 54 54 LYS N N 54 117.499 120.453 -2.954 1
1 400 . 8 1 1 A 55 55 LYS H H 55 7.300 7.676 -0.376 1
1 401 . 8 1 1 A 55 55 LYS HA H 55 4.028 4.688 -0.660 1
1 408 . 8 1 1 A 55 55 LYS CA C 55 59.571 59.345 0.226 1
1 409 . 8 1 1 A 55 55 LYS CB C 55 32.647 65.525 -32.878 1
1 412 . 8 1 1 A 55 55 LYS N N 55 120.213 119.895 0.318 1
1 413 . 8 1 1 A 56 56 LEU H H 56 8.074 8.258 -0.184 1
1 414 . 8 1 1 A 56 56 LEU HA H 56 3.848 4.407 -0.559 1
1 424 . 8 1 1 A 56 56 LEU CA C 56 57.354 55.071 2.283 1
1 425 . 8 1 1 A 56 56 LEU CB C 56 41.816 32.689 9.127 1
1 429 . 8 1 1 A 56 56 LEU N N 56 119.719 118.465 1.254 1
1 430 . 8 1 1 A 57 57 PHE H H 57 8.054 7.591 0.463 1
1 431 . 8 1 1 A 57 57 PHE HA H 57 4.983 3.688 1.295 1
1 436 . 8 1 1 A 57 57 PHE CA C 57 56.470 65.152 -8.682 1
1 437 . 8 1 1 A 57 57 PHE CB C 57 37.916 31.812 6.104 1
1 438 . 8 1 1 A 57 57 PHE N N 57 113.798 118.156 -4.358 1
1 439 . 8 1 1 A 58 58 HIS H H 58 7.523 8.351 -0.828 1
1 440 . 8 1 1 A 58 58 HIS HA H 58 4.448 4.337 0.111 1
1 443 . 8 1 1 A 58 58 HIS CA C 58 59.037 59.230 -0.193 1
1 444 . 8 1 1 A 58 58 HIS CB C 58 27.942 38.415 -10.473 1
1 445 . 8 1 1 A 58 58 HIS N N 58 116.758 120.602 -3.844 1
1 447 . 8 1 1 A 59 59 THR HA H 59 4.085 4.596 -0.511 1
1 452 . 8 1 1 A 59 59 THR CA C 59 62.033 66.036 -4.003 1
1 453 . 8 1 1 A 59 59 THR CB C 59 68.425 30.860 37.565 1
1 455 . 8 1 1 A 59 59 THR N N 59 108.123 134.832 -26.709 1
1 456 . 8 1 1 A 60 60 ILE H H 60 7.540 7.601 -0.061 1
1 457 . 8 1 1 A 60 60 ILE HA H 60 4.444 3.602 0.842 1
1 467 . 8 1 1 A 60 60 ILE CA C 60 58.167 64.596 -6.429 1
1 468 . 8 1 1 A 60 60 ILE CB C 60 38.745 37.766 0.979 1
1 472 . 8 1 1 A 60 60 ILE N N 60 124.900 116.534 8.366 1
1 473 . 8 1 1 A 61 61 PRO HA H 61 4.105 3.966 0.139 1
1 480 . 8 1 1 A 61 61 PRO CA C 61 64.800 64.709 0.091 1
1 481 . 8 1 1 A 61 61 PRO CB C 61 31.271 37.101 -5.830 1
1 484 . 8 1 1 A 62 62 PHE HA H 62 4.560 4.223 0.337 1
1 487 . 8 1 1 A 62 62 PHE CA C 62 58.476 59.307 -0.831 1
1 488 . 8 1 1 A 62 62 PHE CB C 62 37.121 29.324 7.797 1
1 489 . 8 1 1 A 63 63 GLY H H 63 8.543 7.813 0.730 1
1 492 . 8 1 1 A 63 63 GLY CA C 63 47.897 59.221 -11.324 1
1 493 . 8 1 1 A 63 63 GLY N N 63 110.590 118.803 -8.213 1
1 494 . 8 1 1 A 64 64 THR H H 64 8.513 7.998 0.515 1
1 495 . 8 1 1 A 64 64 THR HA H 64 4.206 4.071 0.135 1
1 500 . 8 1 1 A 64 64 THR CA C 64 67.646 57.979 9.667 1
1 501 . 8 1 1 A 64 64 THR CB C 64 67.349 41.351 25.998 1
1 503 . 8 1 1 A 64 64 THR N N 64 114.538 119.893 -5.355 1
1 504 . 8 1 1 A 65 65 ARG H H 65 7.519 8.815 -1.296 1
1 505 . 8 1 1 A 65 65 ARG HA H 65 4.177 4.163 0.014 1
1 512 . 8 1 1 A 65 65 ARG CA C 65 55.799 59.708 -3.909 1
1 513 . 8 1 1 A 65 65 ARG CB C 65 30.146 29.308 0.838 1
1 516 . 8 1 1 A 65 65 ARG N N 65 121.940 117.972 3.968 1
1 517 . 8 1 1 A 66 66 GLU H H 66 8.453 8.570 -0.117 1
1 523 . 8 1 1 A 66 66 GLU CA C 66 58.981 47.067 11.914 1
1 526 . 8 1 1 A 66 66 GLU N N 66 120.459 108.326 12.133 1
1 527 . 8 1 1 A 67 67 CYS H H 67 8.467 7.928 0.539 1
1 531 . 8 1 1 A 67 67 CYS CA C 67 59.277 45.127 14.150 1
1 533 . 8 1 1 A 67 67 CYS N N 67 121.446 106.699 14.747 1
1 534 . 8 1 1 A 68 68 ASP H H 68 8.002 8.151 -0.149 1
1 535 . 8 1 1 A 68 68 ASP HA H 68 4.514 4.545 -0.031 1
1 538 . 8 1 1 A 68 68 ASP CA C 68 57.902 61.234 -3.332 1
1 539 . 8 1 1 A 68 68 ASP CB C 68 40.393 70.919 -30.526 1
1 540 . 8 1 1 A 68 68 ASP N N 68 120.459 115.086 5.373 1
1 541 . 8 1 1 A 69 69 HIS H H 69 8.564 8.640 -0.076 1
1 542 . 8 1 1 A 69 69 HIS HA H 69 4.510 4.437 0.073 1
1 545 . 8 1 1 A 69 69 HIS CA C 69 58.127 50.992 7.135 1
1 546 . 8 1 1 A 69 69 HIS CB C 69 28.480 18.228 10.252 1
1 547 . 8 1 1 A 69 69 HIS N N 69 119.246 127.942 -8.696 1
1 549 . 8 1 1 A 70 70 TYR HA H 70 3.706 4.557 -0.851 1
1 553 . 8 1 1 A 70 70 TYR CA C 70 63.989 64.213 -0.224 1
1 554 . 8 1 1 A 70 70 TYR CB C 70 40.145 31.796 8.349 1
1 555 . 8 1 1 A 70 70 TYR N N 70 125.887 134.971 -9.084 1
1 556 . 8 1 1 A 71 71 VAL H H 71 8.295 8.208 0.087 1
1 557 . 8 1 1 A 71 71 VAL HA H 71 3.554 4.249 -0.695 1
1 565 . 8 1 1 A 71 71 VAL CA C 71 67.021 57.477 9.544 1
1 566 . 8 1 1 A 71 71 VAL CB C 71 32.084 32.626 -0.542 1
1 569 . 8 1 1 A 71 71 VAL N N 71 118.239 117.347 0.892 1
1 570 . 8 1 1 A 72 72 ASN H H 72 7.511 8.043 -0.532 1
1 571 . 8 1 1 A 72 72 ASN HA H 72 4.558 4.492 0.066 1
1 574 . 8 1 1 A 72 72 ASN CA C 72 55.116 56.690 -1.574 1
1 575 . 8 1 1 A 72 72 ASN CB C 72 39.569 40.718 -1.149 1
1 576 . 8 1 1 A 72 72 ASN N N 72 116.018 119.110 -3.092 1
1 577 . 8 1 1 A 73 73 SER H H 73 7.709 7.621 0.088 1
1 578 . 8 1 1 A 73 73 SER HA H 73 4.633 3.567 1.066 1
1 581 . 8 1 1 A 73 73 SER CA C 73 59.832 66.369 -6.537 1
1 582 . 8 1 1 A 73 73 SER CB C 73 65.899 31.372 34.527 1
1 583 . 8 1 1 A 73 73 SER N N 73 110.837 119.411 -8.574 1
1 584 . 8 1 1 A 74 74 LYS H H 74 7.942 7.903 0.039 1
1 585 . 8 1 1 A 74 74 LYS HA H 74 4.280 4.727 -0.447 1
1 593 . 8 1 1 A 74 74 LYS CA C 74 55.124 55.805 -0.681 1
1 594 . 8 1 1 A 74 74 LYS CB C 74 33.198 40.564 -7.366 1
1 598 . 8 1 1 A 74 74 LYS N N 74 120.706 114.995 5.711 1
1 599 . 8 1 1 A 75 75 VAL H H 75 7.227 8.871 -1.644 1
1 600 . 8 1 1 A 75 75 VAL HA H 75 3.315 4.570 -1.255 1
1 608 . 8 1 1 A 75 75 VAL CA C 75 67.599 63.442 4.157 1
1 609 . 8 1 1 A 75 75 VAL CB C 75 31.540 71.402 -39.862 1
1 612 . 8 1 1 A 75 75 VAL N N 75 120.147 114.784 5.363 1
1 613 . 8 1 1 A 76 76 ASP H H 76 8.851 8.360 0.491 1
1 614 . 8 1 1 A 76 76 ASP HA H 76 4.402 4.006 0.396 1
1 617 . 8 1 1 A 76 76 ASP CA C 76 59.568 59.900 -0.332 1
1 618 . 8 1 1 A 76 76 ASP CB C 76 37.667 32.559 5.108 1
1 619 . 8 1 1 A 76 76 ASP N N 76 117.992 120.760 -2.768 1
1 620 . 8 1 1 A 77 77 PRO HA H 77 4.158 4.415 -0.257 1
1 626 . 8 1 1 A 77 77 PRO CA C 77 66.237 54.606 11.631 1
1 627 . 8 1 1 A 77 77 PRO CB C 77 31.347 41.945 -10.598 1
1 630 . 8 1 1 A 78 78 ILE H H 78 7.243 7.930 -0.687 1
1 631 . 8 1 1 A 78 78 ILE HA H 78 3.315 4.426 -1.111 1
1 641 . 8 1 1 A 78 78 ILE CA C 78 65.957 54.491 11.466 1
1 642 . 8 1 1 A 78 78 ILE CB C 78 38.787 36.584 2.203 1
1 646 . 8 1 1 A 78 78 ILE N N 78 119.472 114.917 4.555 1
1 647 . 8 1 1 A 79 79 ILE H H 79 8.180 8.302 -0.122 1
1 648 . 8 1 1 A 79 79 ILE HA H 79 3.218 4.314 -1.096 1
1 658 . 8 1 1 A 79 79 ILE CA C 79 65.939 56.976 8.963 1
1 659 . 8 1 1 A 79 79 ILE CB C 79 37.344 29.792 7.552 1
1 663 . 8 1 1 A 79 79 ILE N N 79 119.472 116.366 3.106 1
1 664 . 8 1 1 A 80 80 HIS H H 80 8.671 7.758 0.913 1
1 665 . 8 1 1 A 80 80 HIS HA H 80 4.351 5.128 -0.777 1
1 670 . 8 1 1 A 80 80 HIS CA C 80 58.731 54.025 4.706 1
1 671 . 8 1 1 A 80 80 HIS CB C 80 27.913 45.619 -17.706 1
1 672 . 8 1 1 A 80 80 HIS N N 80 117.252 116.346 0.906 1
1 1 . 9 1 1 A 12 12 SER H H 12 8.509 8.464 0.045 1
1 2 . 9 1 1 A 12 12 SER HA H 12 4.430 4.093 0.337 1
1 4 . 9 1 1 A 12 12 SER N N 12 118.485 117.292 1.193 1
1 5 . 9 1 1 A 13 13 GLY H H 13 8.404 7.993 0.411 1
1 7 . 9 1 1 A 13 13 GLY N N 13 111.084 118.713 -7.629 1
1 8 . 9 1 1 A 14 14 ILE H H 14 8.006 8.258 -0.252 1
1 9 . 9 1 1 A 14 14 ILE HA H 14 4.086 4.047 0.039 1
1 14 . 9 1 1 A 14 14 ILE N N 14 119.966 122.276 -2.310 1
1 15 . 9 1 1 A 15 15 GLU H H 15 8.528 7.792 0.736 1
1 16 . 9 1 1 A 15 15 GLU HA H 15 4.197 4.154 0.043 1
1 19 . 9 1 1 A 15 15 GLU N N 15 124.654 118.735 5.919 1
1 20 . 9 1 1 A 16 16 GLY H H 16 8.343 8.635 -0.292 1
1 22 . 9 1 1 A 16 16 GLY N N 16 110.097 121.283 -11.186 1
1 23 . 9 1 1 A 17 17 ARG H H 17 8.143 8.849 -0.706 1
1 24 . 9 1 1 A 17 17 ARG HA H 17 4.319 3.778 0.541 1
1 28 . 9 1 1 A 17 17 ARG N N 17 120.459 118.809 1.650 1
1 29 . 9 1 1 A 18 18 GLY H H 18 8.477 8.099 0.378 1
1 30 . 9 1 1 A 18 18 GLY HA2 H 18 3.894 4.189 -0.295 1
1 31 . 9 1 1 A 18 18 GLY N N 18 110.097 108.052 2.045 1
1 32 . 9 1 1 A 19 19 ARG H H 19 8.105 8.483 -0.378 1
1 33 . 9 1 1 A 19 19 ARG HA H 19 4.283 4.680 -0.397 1
1 38 . 9 1 1 A 19 19 ARG CA C 19 56.218 60.854 -4.636 1
1 39 . 9 1 1 A 19 19 ARG CB C 19 30.987 64.094 -33.107 1
1 42 . 9 1 1 A 19 19 ARG N N 19 120.706 114.761 5.945 1
1 43 . 9 1 1 A 20 20 SER H H 20 8.553 7.976 0.577 1
1 44 . 9 1 1 A 20 20 SER HA H 20 4.432 4.153 0.279 1
1 47 . 9 1 1 A 20 20 SER CA C 20 58.189 54.628 3.561 1
1 48 . 9 1 1 A 20 20 SER CB C 20 63.967 17.851 46.116 1
1 49 . 9 1 1 A 20 20 SER N N 20 117.992 120.352 -2.360 1
1 50 . 9 1 1 A 21 21 ALA H H 21 8.233 8.028 0.205 1
1 51 . 9 1 1 A 21 21 ALA HA H 21 4.167 4.880 -0.713 1
1 55 . 9 1 1 A 21 21 ALA CA C 21 53.662 54.694 -1.032 1
1 56 . 9 1 1 A 21 21 ALA CB C 21 18.745 42.737 -23.992 1
1 57 . 9 1 1 A 21 21 ALA N N 21 126.792 116.897 9.895 1
1 58 . 9 1 1 A 22 22 LEU H H 22 8.402 7.933 0.469 1
1 59 . 9 1 1 A 22 22 LEU HA H 22 4.036 3.957 0.079 1
1 66 . 9 1 1 A 22 22 LEU CA C 22 55.382 57.250 -1.868 1
1 67 . 9 1 1 A 22 22 LEU CB C 22 42.077 29.575 12.502 1
1 70 . 9 1 1 A 22 22 LEU N N 22 121.062 117.530 3.532 1
1 71 . 9 1 1 A 23 23 SER H H 23 8.155 7.802 0.353 1
1 72 . 9 1 1 A 23 23 SER HA H 23 3.913 4.832 -0.919 1
1 75 . 9 1 1 A 23 23 SER CA C 23 63.166 53.415 9.751 1
1 76 . 9 1 1 A 23 23 SER CB C 23 62.894 43.351 19.543 1
1 77 . 9 1 1 A 23 23 SER N N 23 114.448 117.894 -3.446 1
1 78 . 9 1 1 A 24 24 CYS H H 24 7.630 8.961 -1.331 1
1 79 . 9 1 1 A 24 24 CYS HA H 24 4.389 3.887 0.502 1
1 82 . 9 1 1 A 24 24 CYS CB C 24 37.631 18.384 19.247 1
1 83 . 9 1 1 A 24 24 CYS N N 24 120.980 127.513 -6.533 1
1 84 . 9 1 1 A 25 25 GLN H H 25 8.056 7.805 0.251 1
1 85 . 9 1 1 A 25 25 GLN HA H 25 4.031 4.572 -0.541 1
1 91 . 9 1 1 A 25 25 GLN CA C 25 59.555 55.767 3.788 1
1 92 . 9 1 1 A 25 25 GLN CB C 25 30.148 38.824 -8.676 1
1 94 . 9 1 1 A 25 25 GLN N N 25 118.033 116.711 1.322 1
1 96 . 9 1 1 A 26 26 MET H H 26 8.246 7.614 0.632 1
1 97 . 9 1 1 A 26 26 MET HA H 26 3.889 4.028 -0.139 1
1 105 . 9 1 1 A 26 26 MET CA C 26 61.790 65.194 -3.404 1
1 106 . 9 1 1 A 26 26 MET CB C 26 35.426 31.784 3.642 1
1 109 . 9 1 1 A 26 26 MET N N 26 118.732 119.747 -1.015 1
1 110 . 9 1 1 A 27 27 CYS H H 27 8.415 7.319 1.096 1
1 111 . 9 1 1 A 27 27 CYS HA H 27 4.100 3.992 0.108 1
1 114 . 9 1 1 A 27 27 CYS CA C 27 61.807 63.819 -2.012 1
1 115 . 9 1 1 A 27 27 CYS CB C 27 42.874 37.483 5.391 1
1 116 . 9 1 1 A 27 27 CYS N N 27 121.237 121.240 -0.003 1
1 117 . 9 1 1 A 28 28 GLU H H 28 8.581 8.165 0.416 1
1 118 . 9 1 1 A 28 28 GLU HA H 28 3.974 4.085 -0.111 1
1 123 . 9 1 1 A 28 28 GLU CA C 28 59.558 59.346 0.212 1
1 125 . 9 1 1 A 28 28 GLU N N 28 118.019 120.590 -2.571 1
1 126 . 9 1 1 A 29 29 LEU H H 29 7.881 7.457 0.424 1
1 127 . 9 1 1 A 29 29 LEU HA H 29 4.346 4.160 0.186 1
1 137 . 9 1 1 A 29 29 LEU CA C 29 57.877 59.771 -1.894 1
1 138 . 9 1 1 A 29 29 LEU CB C 29 42.067 32.479 9.588 1
1 142 . 9 1 1 A 29 29 LEU N N 29 122.680 119.870 2.810 1
1 143 . 9 1 1 A 30 30 VAL H H 30 8.251 8.351 -0.100 1
1 144 . 9 1 1 A 30 30 VAL HA H 30 3.315 4.369 -1.054 1
1 152 . 9 1 1 A 30 30 VAL CA C 30 64.085 57.388 6.697 1
1 153 . 9 1 1 A 30 30 VAL CB C 30 32.374 40.437 -8.063 1
1 156 . 9 1 1 A 30 30 VAL N N 30 120.953 119.871 1.082 1
1 157 . 9 1 1 A 31 31 VAL H H 31 8.071 8.743 -0.672 1
1 158 . 9 1 1 A 31 31 VAL HA H 31 3.340 4.120 -0.780 1
1 166 . 9 1 1 A 31 31 VAL CA C 31 67.602 62.184 5.418 1
1 167 . 9 1 1 A 31 31 VAL CB C 31 31.803 39.132 -7.329 1
1 170 . 9 1 1 A 31 31 VAL N N 31 118.979 120.896 -1.917 1
1 171 . 9 1 1 A 32 32 LYS H H 32 8.088 8.387 -0.299 1
1 172 . 9 1 1 A 32 32 LYS HA H 32 4.096 4.473 -0.377 1
1 178 . 9 1 1 A 32 32 LYS CA C 32 59.838 57.970 1.868 1
1 179 . 9 1 1 A 32 32 LYS CB C 32 32.651 41.901 -9.250 1
1 183 . 9 1 1 A 32 32 LYS N N 32 119.226 119.479 -0.253 1
1 184 . 9 1 1 A 33 33 LYS H H 33 8.460 8.464 -0.004 1
1 185 . 9 1 1 A 33 33 LYS HA H 33 4.176 4.113 0.063 1
1 194 . 9 1 1 A 33 33 LYS CA C 33 57.066 55.323 1.743 1
1 195 . 9 1 1 A 33 33 LYS CB C 33 31.540 18.511 13.029 1
1 199 . 9 1 1 A 33 33 LYS N N 33 118.868 121.063 -2.195 1
1 200 . 9 1 1 A 34 34 TYR H H 34 8.966 7.785 1.181 1
1 201 . 9 1 1 A 34 34 TYR HA H 34 3.935 4.186 -0.251 1
1 205 . 9 1 1 A 34 34 TYR CA C 34 62.301 55.591 6.710 1
1 206 . 9 1 1 A 34 34 TYR CB C 34 39.007 29.451 9.556 1
1 207 . 9 1 1 A 34 34 TYR N N 34 121.940 117.086 4.854 1
1 208 . 9 1 1 A 35 35 GLU H H 35 8.980 7.958 1.022 1
1 209 . 9 1 1 A 35 35 GLU HA H 35 3.898 4.827 -0.929 1
1 214 . 9 1 1 A 35 35 GLU CA C 35 58.979 57.435 1.544 1
1 215 . 9 1 1 A 35 35 GLU CB C 35 29.876 44.041 -14.165 1
1 217 . 9 1 1 A 35 35 GLU N N 35 118.239 118.628 -0.389 1
1 218 . 9 1 1 A 36 36 GLY H H 36 7.696 8.949 -1.253 1
1 221 . 9 1 1 A 36 36 GLY CA C 36 45.055 59.843 -14.788 1
1 222 . 9 1 1 A 36 36 GLY N N 36 103.730 120.683 -16.953 1
1 223 . 9 1 1 A 37 37 SER H H 37 6.977 7.393 -0.416 1
1 224 . 9 1 1 A 37 37 SER HA H 37 4.364 4.135 0.229 1
1 227 . 9 1 1 A 37 37 SER CA C 37 57.087 59.313 -2.226 1
1 228 . 9 1 1 A 37 37 SER CB C 37 63.450 32.470 30.980 1
1 229 . 9 1 1 A 37 37 SER N N 37 115.525 119.540 -4.015 1
1 230 . 9 1 1 A 38 38 ALA H H 38 8.918 7.665 1.253 1
1 231 . 9 1 1 A 38 38 ALA HA H 38 4.153 3.844 0.309 1
1 235 . 9 1 1 A 38 38 ALA CA C 38 54.285 57.683 -3.398 1
1 236 . 9 1 1 A 38 38 ALA CB C 38 18.784 41.365 -22.581 1
1 237 . 9 1 1 A 38 38 ALA N N 38 131.315 121.198 10.117 1
1 238 . 9 1 1 A 39 39 ASP H H 39 7.712 8.801 -1.089 1
1 239 . 9 1 1 A 39 39 ASP HA H 39 4.578 4.541 0.037 1
1 242 . 9 1 1 A 39 39 ASP CA C 39 52.907 58.240 -5.333 1
1 243 . 9 1 1 A 39 39 ASP CB C 39 41.519 38.396 3.123 1
1 244 . 9 1 1 A 39 39 ASP N N 39 114.785 116.794 -2.009 1
1 245 . 9 1 1 A 40 40 LYS H H 40 8.386 8.181 0.205 1
1 246 . 9 1 1 A 40 40 LYS HA H 40 3.604 4.705 -1.101 1
1 255 . 9 1 1 A 40 40 LYS CA C 40 54.835 58.278 -3.443 1
1 256 . 9 1 1 A 40 40 LYS CB C 40 29.039 28.463 0.576 1
1 260 . 9 1 1 A 40 40 LYS N N 40 119.226 118.109 1.117 1
1 261 . 9 1 1 A 41 41 ASP H H 41 7.523 7.356 0.167 1
1 262 . 9 1 1 A 41 41 ASP HA H 41 4.376 4.030 0.346 1
1 265 . 9 1 1 A 41 41 ASP CA C 41 54.330 63.872 -9.542 1
1 266 . 9 1 1 A 41 41 ASP CB C 41 42.108 69.148 -27.040 1
1 267 . 9 1 1 A 41 41 ASP N N 41 119.226 110.096 9.130 1
1 268 . 9 1 1 A 42 42 ALA H H 42 9.017 7.519 1.498 1
1 269 . 9 1 1 A 42 42 ALA HA H 42 3.860 4.074 -0.214 1
1 273 . 9 1 1 A 42 42 ALA CA C 42 55.680 60.597 -4.917 1
1 274 . 9 1 1 A 42 42 ALA CB C 42 19.315 37.690 -18.375 1
1 275 . 9 1 1 A 42 42 ALA N N 42 130.822 124.722 6.100 1
1 277 . 9 1 1 A 43 43 ASN HA H 43 4.386 3.860 0.526 1
1 280 . 9 1 1 A 43 43 ASN CA C 43 56.511 63.302 -6.791 1
1 281 . 9 1 1 A 43 43 ASN CB C 43 38.255 30.692 7.563 1
1 282 . 9 1 1 A 43 43 ASN N N 43 114.785 141.520 -26.735 1
1 283 . 9 1 1 A 44 44 VAL H H 44 7.510 8.482 -0.972 1
1 284 . 9 1 1 A 44 44 VAL HA H 44 3.601 4.162 -0.561 1
1 292 . 9 1 1 A 44 44 VAL CA C 44 66.228 59.691 6.537 1
1 293 . 9 1 1 A 44 44 VAL CB C 44 33.117 36.624 -3.507 1
1 296 . 9 1 1 A 44 44 VAL N N 44 123.173 117.261 5.912 1
1 297 . 9 1 1 A 45 45 ILE H H 45 8.084 7.932 0.152 1
1 308 . 9 1 1 A 45 45 ILE CA C 45 65.113 47.002 18.111 1
1 313 . 9 1 1 A 45 45 ILE N N 45 120.213 107.942 12.271 1
1 314 . 9 1 1 A 46 46 LYS H H 46 8.393 8.198 0.195 1
1 315 . 9 1 1 A 46 46 LYS HA H 46 3.809 4.126 -0.317 1
1 320 . 9 1 1 A 46 46 LYS CA C 46 62.030 65.574 -3.544 1
1 321 . 9 1 1 A 46 46 LYS CB C 46 32.915 68.329 -35.414 1
1 324 . 9 1 1 A 46 46 LYS N N 46 118.239 115.805 2.434 1
1 325 . 9 1 1 A 47 47 LYS H H 47 7.469 8.348 -0.879 1
1 326 . 9 1 1 A 47 47 LYS HA H 47 4.128 4.047 0.081 1
1 332 . 9 1 1 A 47 47 LYS CA C 47 59.824 59.696 0.128 1
1 333 . 9 1 1 A 47 47 LYS CB C 47 32.656 30.020 2.636 1
1 337 . 9 1 1 A 47 47 LYS N N 47 119.719 121.804 -2.085 1
1 338 . 9 1 1 A 48 48 ASP H H 48 8.697 7.950 0.747 1
1 339 . 9 1 1 A 48 48 ASP HA H 48 4.483 4.101 0.382 1
1 342 . 9 1 1 A 48 48 ASP CA C 48 57.054 59.595 -2.541 1
1 343 . 9 1 1 A 48 48 ASP CB C 48 40.422 28.530 11.892 1
1 344 . 9 1 1 A 48 48 ASP N N 48 122.433 118.853 3.580 1
1 345 . 9 1 1 A 49 49 PHE H H 49 9.328 8.254 1.074 1
1 346 . 9 1 1 A 49 49 PHE HA H 49 3.820 4.610 -0.790 1
1 351 . 9 1 1 A 49 49 PHE CA C 49 62.071 59.666 2.405 1
1 352 . 9 1 1 A 49 49 PHE CB C 49 39.041 41.879 -2.838 1
1 353 . 9 1 1 A 49 49 PHE N N 49 120.502 118.933 1.569 1
1 354 . 9 1 1 A 50 50 ASP H H 50 8.603 8.411 0.192 1
1 355 . 9 1 1 A 50 50 ASP HA H 50 3.855 4.512 -0.657 1
1 358 . 9 1 1 A 50 50 ASP CA C 50 57.655 57.158 0.497 1
1 359 . 9 1 1 A 50 50 ASP CB C 50 41.246 41.054 0.192 1
1 360 . 9 1 1 A 50 50 ASP N N 50 120.706 122.025 -1.319 1
1 361 . 9 1 1 A 51 51 ALA H H 51 7.510 7.866 -0.356 1
1 362 . 9 1 1 A 51 51 ALA HA H 51 3.982 4.418 -0.436 1
1 366 . 9 1 1 A 51 51 ALA CA C 51 56.311 57.498 -1.187 1
1 367 . 9 1 1 A 51 51 ALA CB C 51 18.201 29.803 -11.602 1
1 368 . 9 1 1 A 51 51 ALA N N 51 117.499 120.058 -2.559 1
1 369 . 9 1 1 A 52 52 GLU H H 52 7.604 8.684 -1.080 1
1 370 . 9 1 1 A 52 52 GLU HA H 52 3.941 4.214 -0.273 1
1 374 . 9 1 1 A 52 52 GLU CA C 52 59.294 59.913 -0.619 1
1 375 . 9 1 1 A 52 52 GLU CB C 52 29.581 39.343 -9.762 1
1 377 . 9 1 1 A 52 52 GLU N N 52 118.979 120.374 -1.395 1
1 378 . 9 1 1 A 53 53 CYS H H 53 9.106 7.198 1.908 1
1 379 . 9 1 1 A 53 53 CYS HA H 53 3.502 4.058 -0.556 1
1 382 . 9 1 1 A 53 53 CYS CA C 53 60.943 60.463 0.480 1
1 383 . 9 1 1 A 53 53 CYS CB C 53 37.388 31.213 6.175 1
1 384 . 9 1 1 A 53 53 CYS N N 53 120.292 111.477 8.815 1
1 385 . 9 1 1 A 54 54 LYS H H 54 7.888 7.660 0.228 1
1 386 . 9 1 1 A 54 54 LYS HA H 54 3.634 4.813 -1.179 1
1 394 . 9 1 1 A 54 54 LYS CA C 54 60.379 52.516 7.863 1
1 395 . 9 1 1 A 54 54 LYS CB C 54 32.093 38.689 -6.596 1
1 399 . 9 1 1 A 54 54 LYS N N 54 117.499 120.397 -2.898 1
1 400 . 9 1 1 A 55 55 LYS H H 55 7.300 7.827 -0.527 1
1 401 . 9 1 1 A 55 55 LYS HA H 55 4.028 4.416 -0.388 1
1 408 . 9 1 1 A 55 55 LYS CA C 55 59.571 58.804 0.767 1
1 409 . 9 1 1 A 55 55 LYS CB C 55 32.647 66.087 -33.440 1
1 412 . 9 1 1 A 55 55 LYS N N 55 120.213 115.126 5.087 1
1 413 . 9 1 1 A 56 56 LEU H H 56 8.074 7.713 0.361 1
1 414 . 9 1 1 A 56 56 LEU HA H 56 3.848 4.244 -0.396 1
1 424 . 9 1 1 A 56 56 LEU CA C 56 57.354 55.383 1.971 1
1 425 . 9 1 1 A 56 56 LEU CB C 56 41.816 32.867 8.949 1
1 429 . 9 1 1 A 56 56 LEU N N 56 119.719 117.741 1.978 1
1 430 . 9 1 1 A 57 57 PHE H H 57 8.054 7.603 0.451 1
1 431 . 9 1 1 A 57 57 PHE HA H 57 4.983 3.665 1.318 1
1 436 . 9 1 1 A 57 57 PHE CA C 57 56.470 65.145 -8.675 1
1 437 . 9 1 1 A 57 57 PHE CB C 57 37.916 31.758 6.158 1
1 438 . 9 1 1 A 57 57 PHE N N 57 113.798 118.235 -4.437 1
1 439 . 9 1 1 A 58 58 HIS H H 58 7.523 8.294 -0.771 1
1 440 . 9 1 1 A 58 58 HIS HA H 58 4.448 4.359 0.089 1
1 443 . 9 1 1 A 58 58 HIS CA C 58 59.037 59.120 -0.083 1
1 444 . 9 1 1 A 58 58 HIS CB C 58 27.942 38.278 -10.336 1
1 445 . 9 1 1 A 58 58 HIS N N 58 116.758 120.727 -3.969 1
1 447 . 9 1 1 A 59 59 THR HA H 59 4.085 4.053 0.032 1
1 452 . 9 1 1 A 59 59 THR CA C 59 62.033 65.701 -3.668 1
1 453 . 9 1 1 A 59 59 THR CB C 59 68.425 30.448 37.977 1
1 455 . 9 1 1 A 59 59 THR N N 59 108.123 134.963 -26.840 1
1 456 . 9 1 1 A 60 60 ILE H H 60 7.540 7.546 -0.006 1
1 457 . 9 1 1 A 60 60 ILE HA H 60 4.444 3.721 0.723 1
1 467 . 9 1 1 A 60 60 ILE CA C 60 58.167 64.681 -6.514 1
1 468 . 9 1 1 A 60 60 ILE CB C 60 38.745 37.801 0.944 1
1 472 . 9 1 1 A 60 60 ILE N N 60 124.900 116.515 8.385 1
1 473 . 9 1 1 A 61 61 PRO HA H 61 4.105 3.960 0.145 1
1 480 . 9 1 1 A 61 61 PRO CA C 61 64.800 64.487 0.313 1
1 481 . 9 1 1 A 61 61 PRO CB C 61 31.271 37.209 -5.938 1
1 484 . 9 1 1 A 62 62 PHE HA H 62 4.560 4.230 0.330 1
1 487 . 9 1 1 A 62 62 PHE CA C 62 58.476 59.495 -1.019 1
1 488 . 9 1 1 A 62 62 PHE CB C 62 37.121 29.450 7.671 1
1 489 . 9 1 1 A 63 63 GLY H H 63 8.543 8.377 0.166 1
1 492 . 9 1 1 A 63 63 GLY CA C 63 47.897 58.928 -11.031 1
1 493 . 9 1 1 A 63 63 GLY N N 63 110.590 120.851 -10.261 1
1 494 . 9 1 1 A 64 64 THR H H 64 8.513 8.146 0.367 1
1 495 . 9 1 1 A 64 64 THR HA H 64 4.206 4.277 -0.071 1
1 500 . 9 1 1 A 64 64 THR CA C 64 67.646 57.854 9.792 1
1 501 . 9 1 1 A 64 64 THR CB C 64 67.349 41.190 26.159 1
1 503 . 9 1 1 A 64 64 THR N N 64 114.538 120.407 -5.869 1
1 504 . 9 1 1 A 65 65 ARG H H 65 7.519 9.119 -1.600 1
1 505 . 9 1 1 A 65 65 ARG HA H 65 4.177 4.192 -0.015 1
1 512 . 9 1 1 A 65 65 ARG CA C 65 55.799 58.889 -3.090 1
1 513 . 9 1 1 A 65 65 ARG CB C 65 30.146 29.354 0.792 1
1 516 . 9 1 1 A 65 65 ARG N N 65 121.940 117.828 4.112 1
1 517 . 9 1 1 A 66 66 GLU H H 66 8.453 8.082 0.371 1
1 523 . 9 1 1 A 66 66 GLU CA C 66 58.981 46.330 12.651 1
1 526 . 9 1 1 A 66 66 GLU N N 66 120.459 108.229 12.230 1
1 527 . 9 1 1 A 67 67 CYS H H 67 8.467 7.766 0.701 1
1 531 . 9 1 1 A 67 67 CYS CA C 67 59.277 44.919 14.358 1
1 533 . 9 1 1 A 67 67 CYS N N 67 121.446 107.160 14.286 1
1 534 . 9 1 1 A 68 68 ASP H H 68 8.002 7.813 0.189 1
1 535 . 9 1 1 A 68 68 ASP HA H 68 4.514 4.265 0.249 1
1 538 . 9 1 1 A 68 68 ASP CA C 68 57.902 62.481 -4.579 1
1 539 . 9 1 1 A 68 68 ASP CB C 68 40.393 69.631 -29.238 1
1 540 . 9 1 1 A 68 68 ASP N N 68 120.459 116.904 3.555 1
1 541 . 9 1 1 A 69 69 HIS H H 69 8.564 8.701 -0.137 1
1 542 . 9 1 1 A 69 69 HIS HA H 69 4.510 4.668 -0.158 1
1 545 . 9 1 1 A 69 69 HIS CA C 69 58.127 50.462 7.665 1
1 546 . 9 1 1 A 69 69 HIS CB C 69 28.480 19.071 9.409 1
1 547 . 9 1 1 A 69 69 HIS N N 69 119.246 125.559 -6.313 1
1 549 . 9 1 1 A 70 70 TYR HA H 70 3.706 4.588 -0.882 1
1 553 . 9 1 1 A 70 70 TYR CA C 70 63.989 64.113 -0.124 1
1 554 . 9 1 1 A 70 70 TYR CB C 70 40.145 31.717 8.428 1
1 555 . 9 1 1 A 70 70 TYR N N 70 125.887 134.393 -8.506 1
1 556 . 9 1 1 A 71 71 VAL H H 71 8.295 8.229 0.066 1
1 557 . 9 1 1 A 71 71 VAL HA H 71 3.554 4.459 -0.905 1
1 565 . 9 1 1 A 71 71 VAL CA C 71 67.021 56.820 10.201 1
1 566 . 9 1 1 A 71 71 VAL CB C 71 32.084 33.009 -0.925 1
1 569 . 9 1 1 A 71 71 VAL N N 71 118.239 117.320 0.919 1
1 570 . 9 1 1 A 72 72 ASN H H 72 7.511 7.929 -0.418 1
1 571 . 9 1 1 A 72 72 ASN HA H 72 4.558 4.700 -0.142 1
1 574 . 9 1 1 A 72 72 ASN CA C 72 55.116 55.553 -0.437 1
1 575 . 9 1 1 A 72 72 ASN CB C 72 39.569 41.407 -1.838 1
1 576 . 9 1 1 A 72 72 ASN N N 72 116.018 117.865 -1.847 1
1 577 . 9 1 1 A 73 73 SER H H 73 7.709 7.973 -0.264 1
1 578 . 9 1 1 A 73 73 SER HA H 73 4.633 3.880 0.753 1
1 581 . 9 1 1 A 73 73 SER CA C 73 59.832 66.616 -6.784 1
1 582 . 9 1 1 A 73 73 SER CB C 73 65.899 31.326 34.573 1
1 583 . 9 1 1 A 73 73 SER N N 73 110.837 119.736 -8.899 1
1 584 . 9 1 1 A 74 74 LYS H H 74 7.942 7.917 0.025 1
1 585 . 9 1 1 A 74 74 LYS HA H 74 4.280 4.735 -0.455 1
1 593 . 9 1 1 A 74 74 LYS CA C 74 55.124 55.938 -0.814 1
1 594 . 9 1 1 A 74 74 LYS CB C 74 33.198 40.705 -7.507 1
1 598 . 9 1 1 A 74 74 LYS N N 74 120.706 115.464 5.242 1
1 599 . 9 1 1 A 75 75 VAL H H 75 7.227 8.612 -1.385 1
1 600 . 9 1 1 A 75 75 VAL HA H 75 3.315 4.516 -1.201 1
1 608 . 9 1 1 A 75 75 VAL CA C 75 67.599 63.238 4.361 1
1 609 . 9 1 1 A 75 75 VAL CB C 75 31.540 71.746 -40.206 1
1 612 . 9 1 1 A 75 75 VAL N N 75 120.147 116.423 3.724 1
1 613 . 9 1 1 A 76 76 ASP H H 76 8.851 8.151 0.700 1
1 614 . 9 1 1 A 76 76 ASP HA H 76 4.402 4.124 0.278 1
1 617 . 9 1 1 A 76 76 ASP CA C 76 59.568 59.295 0.273 1
1 618 . 9 1 1 A 76 76 ASP CB C 76 37.667 32.894 4.773 1
1 619 . 9 1 1 A 76 76 ASP N N 76 117.992 121.477 -3.485 1
1 620 . 9 1 1 A 77 77 PRO HA H 77 4.158 4.336 -0.178 1
1 626 . 9 1 1 A 77 77 PRO CA C 77 66.237 54.621 11.616 1
1 627 . 9 1 1 A 77 77 PRO CB C 77 31.347 41.793 -10.446 1
1 630 . 9 1 1 A 78 78 ILE H H 78 7.243 7.926 -0.683 1
1 631 . 9 1 1 A 78 78 ILE HA H 78 3.315 4.361 -1.046 1
1 641 . 9 1 1 A 78 78 ILE CA C 78 65.957 54.371 11.586 1
1 642 . 9 1 1 A 78 78 ILE CB C 78 38.787 36.888 1.899 1
1 646 . 9 1 1 A 78 78 ILE N N 78 119.472 115.421 4.051 1
1 647 . 9 1 1 A 79 79 ILE H H 79 8.180 8.374 -0.194 1
1 648 . 9 1 1 A 79 79 ILE HA H 79 3.218 4.434 -1.216 1
1 658 . 9 1 1 A 79 79 ILE CA C 79 65.939 56.031 9.908 1
1 659 . 9 1 1 A 79 79 ILE CB C 79 37.344 29.127 8.217 1
1 663 . 9 1 1 A 79 79 ILE N N 79 119.472 114.336 5.136 1
1 664 . 9 1 1 A 80 80 HIS H H 80 8.671 8.047 0.624 1
1 665 . 9 1 1 A 80 80 HIS HA H 80 4.351 4.880 -0.529 1
1 670 . 9 1 1 A 80 80 HIS CA C 80 58.731 54.753 3.978 1
1 671 . 9 1 1 A 80 80 HIS CB C 80 27.913 42.650 -14.737 1
1 672 . 9 1 1 A 80 80 HIS N N 80 117.252 119.568 -2.316 1
1 1 . 10 1 1 A 12 12 SER H H 12 8.509 8.169 0.340 1
1 2 . 10 1 1 A 12 12 SER HA H 12 4.430 4.022 0.408 1
1 4 . 10 1 1 A 12 12 SER N N 12 118.485 116.240 2.245 1
1 5 . 10 1 1 A 13 13 GLY H H 13 8.404 8.379 0.025 1
1 7 . 10 1 1 A 13 13 GLY N N 13 111.084 119.013 -7.929 1
1 8 . 10 1 1 A 14 14 ILE H H 14 8.006 8.252 -0.246 1
1 9 . 10 1 1 A 14 14 ILE HA H 14 4.086 4.227 -0.141 1
1 14 . 10 1 1 A 14 14 ILE N N 14 119.966 120.610 -0.644 1
1 15 . 10 1 1 A 15 15 GLU H H 15 8.528 7.721 0.807 1
1 16 . 10 1 1 A 15 15 GLU HA H 15 4.197 4.205 -0.008 1
1 19 . 10 1 1 A 15 15 GLU N N 15 124.654 119.188 5.466 1
1 20 . 10 1 1 A 16 16 GLY H H 16 8.343 8.643 -0.300 1
1 22 . 10 1 1 A 16 16 GLY N N 16 110.097 122.517 -12.420 1
1 23 . 10 1 1 A 17 17 ARG H H 17 8.143 9.157 -1.014 1
1 24 . 10 1 1 A 17 17 ARG HA H 17 4.319 3.937 0.382 1
1 28 . 10 1 1 A 17 17 ARG N N 17 120.459 118.316 2.143 1
1 29 . 10 1 1 A 18 18 GLY H H 18 8.477 7.496 0.981 1
1 30 . 10 1 1 A 18 18 GLY HA2 H 18 3.894 4.189 -0.295 1
1 31 . 10 1 1 A 18 18 GLY N N 18 110.097 108.488 1.609 1
1 32 . 10 1 1 A 19 19 ARG H H 19 8.105 7.878 0.227 1
1 33 . 10 1 1 A 19 19 ARG HA H 19 4.283 4.451 -0.168 1
1 38 . 10 1 1 A 19 19 ARG CA C 19 56.218 61.515 -5.297 1
1 39 . 10 1 1 A 19 19 ARG CB C 19 30.987 63.816 -32.829 1
1 42 . 10 1 1 A 19 19 ARG N N 19 120.706 114.789 5.917 1
1 43 . 10 1 1 A 20 20 SER H H 20 8.553 7.964 0.589 1
1 44 . 10 1 1 A 20 20 SER HA H 20 4.432 4.224 0.208 1
1 47 . 10 1 1 A 20 20 SER CA C 20 58.189 54.594 3.595 1
1 48 . 10 1 1 A 20 20 SER CB C 20 63.967 17.988 45.979 1
1 49 . 10 1 1 A 20 20 SER N N 20 117.992 121.486 -3.494 1
1 50 . 10 1 1 A 21 21 ALA H H 21 8.233 8.249 -0.016 1
1 51 . 10 1 1 A 21 21 ALA HA H 21 4.167 4.592 -0.425 1
1 55 . 10 1 1 A 21 21 ALA CA C 21 53.662 53.383 0.279 1
1 56 . 10 1 1 A 21 21 ALA CB C 21 18.745 41.475 -22.730 1
1 57 . 10 1 1 A 21 21 ALA N N 21 126.792 115.198 11.594 1
1 58 . 10 1 1 A 22 22 LEU H H 22 8.402 7.923 0.479 1
1 59 . 10 1 1 A 22 22 LEU HA H 22 4.036 3.935 0.101 1
1 66 . 10 1 1 A 22 22 LEU CA C 22 55.382 57.308 -1.926 1
1 67 . 10 1 1 A 22 22 LEU CB C 22 42.077 29.817 12.260 1
1 70 . 10 1 1 A 22 22 LEU N N 22 121.062 115.632 5.430 1
1 71 . 10 1 1 A 23 23 SER H H 23 8.155 7.669 0.486 1
1 72 . 10 1 1 A 23 23 SER HA H 23 3.913 4.751 -0.838 1
1 75 . 10 1 1 A 23 23 SER CA C 23 63.166 53.639 9.527 1
1 76 . 10 1 1 A 23 23 SER CB C 23 62.894 42.118 20.776 1
1 77 . 10 1 1 A 23 23 SER N N 23 114.448 118.308 -3.860 1
1 78 . 10 1 1 A 24 24 CYS H H 24 7.630 8.929 -1.299 1
1 79 . 10 1 1 A 24 24 CYS HA H 24 4.389 3.831 0.558 1
1 82 . 10 1 1 A 24 24 CYS CB C 24 37.631 18.217 19.414 1
1 83 . 10 1 1 A 24 24 CYS N N 24 120.980 127.750 -6.770 1
1 84 . 10 1 1 A 25 25 GLN H H 25 8.056 7.829 0.227 1
1 85 . 10 1 1 A 25 25 GLN HA H 25 4.031 4.507 -0.476 1
1 91 . 10 1 1 A 25 25 GLN CA C 25 59.555 56.212 3.343 1
1 92 . 10 1 1 A 25 25 GLN CB C 25 30.148 38.697 -8.549 1
1 94 . 10 1 1 A 25 25 GLN N N 25 118.033 116.506 1.527 1
1 96 . 10 1 1 A 26 26 MET H H 26 8.246 7.819 0.427 1
1 97 . 10 1 1 A 26 26 MET HA H 26 3.889 3.896 -0.007 1
1 105 . 10 1 1 A 26 26 MET CA C 26 61.790 65.305 -3.515 1
1 106 . 10 1 1 A 26 26 MET CB C 26 35.426 31.341 4.085 1
1 109 . 10 1 1 A 26 26 MET N N 26 118.732 118.379 0.353 1
1 110 . 10 1 1 A 27 27 CYS H H 27 8.415 7.330 1.085 1
1 111 . 10 1 1 A 27 27 CYS HA H 27 4.100 3.926 0.174 1
1 114 . 10 1 1 A 27 27 CYS CA C 27 61.807 64.314 -2.507 1
1 115 . 10 1 1 A 27 27 CYS CB C 27 42.874 37.556 5.318 1
1 116 . 10 1 1 A 27 27 CYS N N 27 121.237 121.727 -0.490 1
1 117 . 10 1 1 A 28 28 GLU H H 28 8.581 8.134 0.447 1
1 118 . 10 1 1 A 28 28 GLU HA H 28 3.974 4.077 -0.103 1
1 123 . 10 1 1 A 28 28 GLU CA C 28 59.558 59.250 0.308 1
1 125 . 10 1 1 A 28 28 GLU N N 28 118.019 120.559 -2.540 1
1 126 . 10 1 1 A 29 29 LEU H H 29 7.881 7.639 0.242 1
1 127 . 10 1 1 A 29 29 LEU HA H 29 4.346 4.162 0.184 1
1 137 . 10 1 1 A 29 29 LEU CA C 29 57.877 59.767 -1.890 1
1 138 . 10 1 1 A 29 29 LEU CB C 29 42.067 32.359 9.708 1
1 142 . 10 1 1 A 29 29 LEU N N 29 122.680 119.786 2.894 1
1 143 . 10 1 1 A 30 30 VAL H H 30 8.251 8.290 -0.039 1
1 144 . 10 1 1 A 30 30 VAL HA H 30 3.315 4.355 -1.040 1
1 152 . 10 1 1 A 30 30 VAL CA C 30 64.085 57.307 6.778 1
1 153 . 10 1 1 A 30 30 VAL CB C 30 32.374 40.614 -8.240 1
1 156 . 10 1 1 A 30 30 VAL N N 30 120.953 119.903 1.050 1
1 157 . 10 1 1 A 31 31 VAL H H 31 8.071 8.494 -0.423 1
1 158 . 10 1 1 A 31 31 VAL HA H 31 3.340 4.105 -0.765 1
1 166 . 10 1 1 A 31 31 VAL CA C 31 67.602 62.239 5.363 1
1 167 . 10 1 1 A 31 31 VAL CB C 31 31.803 39.121 -7.318 1
1 170 . 10 1 1 A 31 31 VAL N N 31 118.979 120.872 -1.893 1
1 171 . 10 1 1 A 32 32 LYS H H 32 8.088 8.423 -0.335 1
1 172 . 10 1 1 A 32 32 LYS HA H 32 4.096 4.612 -0.516 1
1 178 . 10 1 1 A 32 32 LYS CA C 32 59.838 57.865 1.973 1
1 179 . 10 1 1 A 32 32 LYS CB C 32 32.651 41.821 -9.170 1
1 183 . 10 1 1 A 32 32 LYS N N 32 119.226 119.476 -0.250 1
1 184 . 10 1 1 A 33 33 LYS H H 33 8.460 8.610 -0.150 1
1 185 . 10 1 1 A 33 33 LYS HA H 33 4.176 4.059 0.117 1
1 194 . 10 1 1 A 33 33 LYS CA C 33 57.066 55.380 1.686 1
1 195 . 10 1 1 A 33 33 LYS CB C 33 31.540 18.780 12.760 1
1 199 . 10 1 1 A 33 33 LYS N N 33 118.868 121.508 -2.640 1
1 200 . 10 1 1 A 34 34 TYR H H 34 8.966 7.733 1.233 1
1 201 . 10 1 1 A 34 34 TYR HA H 34 3.935 4.153 -0.218 1
1 205 . 10 1 1 A 34 34 TYR CA C 34 62.301 55.967 6.334 1
1 206 . 10 1 1 A 34 34 TYR CB C 34 39.007 29.200 9.807 1
1 207 . 10 1 1 A 34 34 TYR N N 34 121.940 116.988 4.952 1
1 208 . 10 1 1 A 35 35 GLU H H 35 8.980 8.074 0.906 1
1 209 . 10 1 1 A 35 35 GLU HA H 35 3.898 5.014 -1.116 1
1 214 . 10 1 1 A 35 35 GLU CA C 35 58.979 57.635 1.344 1
1 215 . 10 1 1 A 35 35 GLU CB C 35 29.876 44.299 -14.423 1
1 217 . 10 1 1 A 35 35 GLU N N 35 118.239 118.180 0.059 1
1 218 . 10 1 1 A 36 36 GLY H H 36 7.696 8.807 -1.111 1
1 221 . 10 1 1 A 36 36 GLY CA C 36 45.055 59.910 -14.855 1
1 222 . 10 1 1 A 36 36 GLY N N 36 103.730 121.110 -17.380 1
1 223 . 10 1 1 A 37 37 SER H H 37 6.977 7.614 -0.637 1
1 224 . 10 1 1 A 37 37 SER HA H 37 4.364 4.154 0.210 1
1 227 . 10 1 1 A 37 37 SER CA C 37 57.087 58.894 -1.807 1
1 228 . 10 1 1 A 37 37 SER CB C 37 63.450 32.678 30.772 1
1 229 . 10 1 1 A 37 37 SER N N 37 115.525 119.142 -3.617 1
1 230 . 10 1 1 A 38 38 ALA H H 38 8.918 7.888 1.030 1
1 231 . 10 1 1 A 38 38 ALA HA H 38 4.153 3.802 0.351 1
1 235 . 10 1 1 A 38 38 ALA CA C 38 54.285 58.038 -3.753 1
1 236 . 10 1 1 A 38 38 ALA CB C 38 18.784 41.618 -22.834 1
1 237 . 10 1 1 A 38 38 ALA N N 38 131.315 121.216 10.099 1
1 238 . 10 1 1 A 39 39 ASP H H 39 7.712 8.270 -0.558 1
1 239 . 10 1 1 A 39 39 ASP HA H 39 4.578 4.587 -0.009 1
1 242 . 10 1 1 A 39 39 ASP CA C 39 52.907 58.081 -5.174 1
1 243 . 10 1 1 A 39 39 ASP CB C 39 41.519 38.466 3.053 1
1 244 . 10 1 1 A 39 39 ASP N N 39 114.785 116.617 -1.832 1
1 245 . 10 1 1 A 40 40 LYS H H 40 8.386 8.007 0.379 1
1 246 . 10 1 1 A 40 40 LYS HA H 40 3.604 4.444 -0.840 1
1 255 . 10 1 1 A 40 40 LYS CA C 40 54.835 59.137 -4.302 1
1 256 . 10 1 1 A 40 40 LYS CB C 40 29.039 29.244 -0.205 1
1 260 . 10 1 1 A 40 40 LYS N N 40 119.226 118.403 0.823 1
1 261 . 10 1 1 A 41 41 ASP H H 41 7.523 7.480 0.043 1
1 262 . 10 1 1 A 41 41 ASP HA H 41 4.376 3.623 0.753 1
1 265 . 10 1 1 A 41 41 ASP CA C 41 54.330 65.522 -11.192 1
1 266 . 10 1 1 A 41 41 ASP CB C 41 42.108 67.960 -25.852 1
1 267 . 10 1 1 A 41 41 ASP N N 41 119.226 111.039 8.187 1
1 268 . 10 1 1 A 42 42 ALA H H 42 9.017 7.626 1.391 1
1 269 . 10 1 1 A 42 42 ALA HA H 42 3.860 4.015 -0.155 1
1 273 . 10 1 1 A 42 42 ALA CA C 42 55.680 60.399 -4.719 1
1 274 . 10 1 1 A 42 42 ALA CB C 42 19.315 37.290 -17.975 1
1 275 . 10 1 1 A 42 42 ALA N N 42 130.822 123.911 6.911 1
1 277 . 10 1 1 A 43 43 ASN HA H 43 4.386 4.278 0.108 1
1 280 . 10 1 1 A 43 43 ASN CA C 43 56.511 65.097 -8.586 1
1 281 . 10 1 1 A 43 43 ASN CB C 43 38.255 31.635 6.620 1
1 282 . 10 1 1 A 43 43 ASN N N 43 114.785 140.196 -25.411 1
1 283 . 10 1 1 A 44 44 VAL H H 44 7.510 7.311 0.199 1
1 284 . 10 1 1 A 44 44 VAL HA H 44 3.601 4.622 -1.021 1
1 292 . 10 1 1 A 44 44 VAL CA C 44 66.228 56.630 9.598 1
1 293 . 10 1 1 A 44 44 VAL CB C 44 33.117 38.844 -5.727 1
1 296 . 10 1 1 A 44 44 VAL N N 44 123.173 114.462 8.711 1
1 297 . 10 1 1 A 45 45 ILE H H 45 8.084 8.510 -0.426 1
1 308 . 10 1 1 A 45 45 ILE CA C 45 65.113 47.288 17.825 1
1 313 . 10 1 1 A 45 45 ILE N N 45 120.213 109.309 10.904 1
1 314 . 10 1 1 A 46 46 LYS H H 46 8.393 8.231 0.162 1
1 315 . 10 1 1 A 46 46 LYS HA H 46 3.809 4.056 -0.247 1
1 320 . 10 1 1 A 46 46 LYS CA C 46 62.030 65.859 -3.829 1
1 321 . 10 1 1 A 46 46 LYS CB C 46 32.915 68.536 -35.621 1
1 324 . 10 1 1 A 46 46 LYS N N 46 118.239 116.299 1.940 1
1 325 . 10 1 1 A 47 47 LYS H H 47 7.469 8.136 -0.667 1
1 326 . 10 1 1 A 47 47 LYS HA H 47 4.128 4.023 0.105 1
1 332 . 10 1 1 A 47 47 LYS CA C 47 59.824 59.619 0.205 1
1 333 . 10 1 1 A 47 47 LYS CB C 47 32.656 29.977 2.679 1
1 337 . 10 1 1 A 47 47 LYS N N 47 119.719 121.787 -2.068 1
1 338 . 10 1 1 A 48 48 ASP H H 48 8.697 8.083 0.614 1
1 339 . 10 1 1 A 48 48 ASP HA H 48 4.483 4.113 0.370 1
1 342 . 10 1 1 A 48 48 ASP CA C 48 57.054 59.132 -2.078 1
1 343 . 10 1 1 A 48 48 ASP CB C 48 40.422 28.301 12.121 1
1 344 . 10 1 1 A 48 48 ASP N N 48 122.433 118.485 3.948 1
1 345 . 10 1 1 A 49 49 PHE H H 49 9.328 8.405 0.923 1
1 346 . 10 1 1 A 49 49 PHE HA H 49 3.820 4.610 -0.790 1
1 351 . 10 1 1 A 49 49 PHE CA C 49 62.071 60.143 1.928 1
1 352 . 10 1 1 A 49 49 PHE CB C 49 39.041 42.370 -3.329 1
1 353 . 10 1 1 A 49 49 PHE N N 49 120.502 119.686 0.816 1
1 354 . 10 1 1 A 50 50 ASP H H 50 8.603 8.314 0.289 1
1 355 . 10 1 1 A 50 50 ASP HA H 50 3.855 4.459 -0.604 1
1 358 . 10 1 1 A 50 50 ASP CA C 50 57.655 57.086 0.569 1
1 359 . 10 1 1 A 50 50 ASP CB C 50 41.246 41.590 -0.344 1
1 360 . 10 1 1 A 50 50 ASP N N 50 120.706 121.802 -1.096 1
1 361 . 10 1 1 A 51 51 ALA H H 51 7.510 7.705 -0.195 1
1 362 . 10 1 1 A 51 51 ALA HA H 51 3.982 4.574 -0.592 1
1 366 . 10 1 1 A 51 51 ALA CA C 51 56.311 56.884 -0.573 1
1 367 . 10 1 1 A 51 51 ALA CB C 51 18.201 29.415 -11.214 1
1 368 . 10 1 1 A 51 51 ALA N N 51 117.499 116.835 0.664 1
1 369 . 10 1 1 A 52 52 GLU H H 52 7.604 8.909 -1.305 1
1 370 . 10 1 1 A 52 52 GLU HA H 52 3.941 4.377 -0.436 1
1 374 . 10 1 1 A 52 52 GLU CA C 52 59.294 60.522 -1.228 1
1 375 . 10 1 1 A 52 52 GLU CB C 52 29.581 39.437 -9.856 1
1 377 . 10 1 1 A 52 52 GLU N N 52 118.979 120.450 -1.471 1
1 378 . 10 1 1 A 53 53 CYS H H 53 9.106 8.293 0.813 1
1 379 . 10 1 1 A 53 53 CYS HA H 53 3.502 3.608 -0.106 1
1 382 . 10 1 1 A 53 53 CYS CA C 53 60.943 64.872 -3.929 1
1 383 . 10 1 1 A 53 53 CYS CB C 53 37.388 31.456 5.932 1
1 384 . 10 1 1 A 53 53 CYS N N 53 120.292 117.926 2.366 1
1 385 . 10 1 1 A 54 54 LYS H H 54 7.888 8.027 -0.139 1
1 386 . 10 1 1 A 54 54 LYS HA H 54 3.634 4.829 -1.195 1
1 394 . 10 1 1 A 54 54 LYS CA C 54 60.379 52.027 8.352 1
1 395 . 10 1 1 A 54 54 LYS CB C 54 32.093 38.559 -6.466 1
1 399 . 10 1 1 A 54 54 LYS N N 54 117.499 121.014 -3.515 1
1 400 . 10 1 1 A 55 55 LYS H H 55 7.300 8.231 -0.931 1
1 401 . 10 1 1 A 55 55 LYS HA H 55 4.028 4.446 -0.418 1
1 408 . 10 1 1 A 55 55 LYS CA C 55 59.571 58.940 0.631 1
1 409 . 10 1 1 A 55 55 LYS CB C 55 32.647 66.044 -33.397 1
1 412 . 10 1 1 A 55 55 LYS N N 55 120.213 120.523 -0.310 1
1 413 . 10 1 1 A 56 56 LEU H H 56 8.074 8.166 -0.092 1
1 414 . 10 1 1 A 56 56 LEU HA H 56 3.848 4.371 -0.523 1
1 424 . 10 1 1 A 56 56 LEU CA C 56 57.354 55.047 2.307 1
1 425 . 10 1 1 A 56 56 LEU CB C 56 41.816 33.385 8.431 1
1 429 . 10 1 1 A 56 56 LEU N N 56 119.719 117.158 2.561 1
1 430 . 10 1 1 A 57 57 PHE H H 57 8.054 7.159 0.895 1
1 431 . 10 1 1 A 57 57 PHE HA H 57 4.983 3.643 1.340 1
1 436 . 10 1 1 A 57 57 PHE CA C 57 56.470 65.103 -8.633 1
1 437 . 10 1 1 A 57 57 PHE CB C 57 37.916 31.672 6.244 1
1 438 . 10 1 1 A 57 57 PHE N N 57 113.798 118.050 -4.252 1
1 439 . 10 1 1 A 58 58 HIS H H 58 7.523 8.319 -0.796 1
1 440 . 10 1 1 A 58 58 HIS HA H 58 4.448 4.359 0.089 1
1 443 . 10 1 1 A 58 58 HIS CA C 58 59.037 59.006 0.031 1
1 444 . 10 1 1 A 58 58 HIS CB C 58 27.942 38.314 -10.372 1
1 445 . 10 1 1 A 58 58 HIS N N 58 116.758 120.591 -3.833 1
1 447 . 10 1 1 A 59 59 THR HA H 59 4.085 4.555 -0.470 1
1 452 . 10 1 1 A 59 59 THR CA C 59 62.033 66.044 -4.011 1
1 453 . 10 1 1 A 59 59 THR CB C 59 68.425 30.890 37.535 1
1 455 . 10 1 1 A 59 59 THR N N 59 108.123 135.329 -27.206 1
1 456 . 10 1 1 A 60 60 ILE H H 60 7.540 7.616 -0.076 1
1 457 . 10 1 1 A 60 60 ILE HA H 60 4.444 3.634 0.810 1
1 467 . 10 1 1 A 60 60 ILE CA C 60 58.167 64.840 -6.673 1
1 468 . 10 1 1 A 60 60 ILE CB C 60 38.745 37.881 0.864 1
1 472 . 10 1 1 A 60 60 ILE N N 60 124.900 116.556 8.344 1
1 473 . 10 1 1 A 61 61 PRO HA H 61 4.105 3.937 0.168 1
1 480 . 10 1 1 A 61 61 PRO CA C 61 64.800 64.461 0.339 1
1 481 . 10 1 1 A 61 61 PRO CB C 61 31.271 37.040 -5.769 1
1 484 . 10 1 1 A 62 62 PHE HA H 62 4.560 4.254 0.306 1
1 487 . 10 1 1 A 62 62 PHE CA C 62 58.476 59.129 -0.653 1
1 488 . 10 1 1 A 62 62 PHE CB C 62 37.121 29.192 7.929 1
1 489 . 10 1 1 A 63 63 GLY H H 63 8.543 7.629 0.914 1
1 492 . 10 1 1 A 63 63 GLY CA C 63 47.897 59.032 -11.135 1
1 493 . 10 1 1 A 63 63 GLY N N 63 110.590 120.911 -10.321 1
1 494 . 10 1 1 A 64 64 THR H H 64 8.513 7.976 0.537 1
1 495 . 10 1 1 A 64 64 THR HA H 64 4.206 4.260 -0.054 1
1 500 . 10 1 1 A 64 64 THR CA C 64 67.646 57.993 9.653 1
1 501 . 10 1 1 A 64 64 THR CB C 64 67.349 41.365 25.984 1
1 503 . 10 1 1 A 64 64 THR N N 64 114.538 119.814 -5.276 1
1 504 . 10 1 1 A 65 65 ARG H H 65 7.519 8.569 -1.050 1
1 505 . 10 1 1 A 65 65 ARG HA H 65 4.177 4.189 -0.012 1
1 512 . 10 1 1 A 65 65 ARG CA C 65 55.799 59.444 -3.645 1
1 513 . 10 1 1 A 65 65 ARG CB C 65 30.146 29.556 0.590 1
1 516 . 10 1 1 A 65 65 ARG N N 65 121.940 119.327 2.613 1
1 517 . 10 1 1 A 66 66 GLU H H 66 8.453 8.183 0.270 1
1 523 . 10 1 1 A 66 66 GLU CA C 66 58.981 45.795 13.186 1
1 526 . 10 1 1 A 66 66 GLU N N 66 120.459 107.213 13.246 1
1 527 . 10 1 1 A 67 67 CYS H H 67 8.467 7.634 0.833 1
1 531 . 10 1 1 A 67 67 CYS CA C 67 59.277 44.844 14.433 1
1 533 . 10 1 1 A 67 67 CYS N N 67 121.446 107.118 14.328 1
1 534 . 10 1 1 A 68 68 ASP H H 68 8.002 7.652 0.350 1
1 535 . 10 1 1 A 68 68 ASP HA H 68 4.514 4.140 0.374 1
1 538 . 10 1 1 A 68 68 ASP CA C 68 57.902 62.768 -4.866 1
1 539 . 10 1 1 A 68 68 ASP CB C 68 40.393 69.389 -28.996 1
1 540 . 10 1 1 A 68 68 ASP N N 68 120.459 117.284 3.175 1
1 541 . 10 1 1 A 69 69 HIS H H 69 8.564 8.648 -0.084 1
1 542 . 10 1 1 A 69 69 HIS HA H 69 4.510 4.506 0.004 1
1 545 . 10 1 1 A 69 69 HIS CA C 69 58.127 50.870 7.257 1
1 546 . 10 1 1 A 69 69 HIS CB C 69 28.480 18.270 10.210 1
1 547 . 10 1 1 A 69 69 HIS N N 69 119.246 127.998 -8.752 1
1 549 . 10 1 1 A 70 70 TYR HA H 70 3.706 4.519 -0.813 1
1 553 . 10 1 1 A 70 70 TYR CA C 70 63.989 64.311 -0.322 1
1 554 . 10 1 1 A 70 70 TYR CB C 70 40.145 31.915 8.230 1
1 555 . 10 1 1 A 70 70 TYR N N 70 125.887 134.348 -8.461 1
1 556 . 10 1 1 A 71 71 VAL H H 71 8.295 8.288 0.007 1
1 557 . 10 1 1 A 71 71 VAL HA H 71 3.554 4.351 -0.797 1
1 565 . 10 1 1 A 71 71 VAL CA C 71 67.021 56.844 10.177 1
1 566 . 10 1 1 A 71 71 VAL CB C 71 32.084 32.415 -0.331 1
1 569 . 10 1 1 A 71 71 VAL N N 71 118.239 117.146 1.093 1
1 570 . 10 1 1 A 72 72 ASN H H 72 7.511 7.771 -0.260 1
1 571 . 10 1 1 A 72 72 ASN HA H 72 4.558 4.813 -0.255 1
1 574 . 10 1 1 A 72 72 ASN CA C 72 55.116 55.674 -0.558 1
1 575 . 10 1 1 A 72 72 ASN CB C 72 39.569 41.619 -2.050 1
1 576 . 10 1 1 A 72 72 ASN N N 72 116.018 119.359 -3.341 1
1 577 . 10 1 1 A 73 73 SER H H 73 7.709 7.651 0.058 1
1 578 . 10 1 1 A 73 73 SER HA H 73 4.633 3.453 1.180 1
1 581 . 10 1 1 A 73 73 SER CA C 73 59.832 66.345 -6.513 1
1 582 . 10 1 1 A 73 73 SER CB C 73 65.899 31.012 34.887 1
1 583 . 10 1 1 A 73 73 SER N N 73 110.837 118.604 -7.767 1
1 584 . 10 1 1 A 74 74 LYS H H 74 7.942 7.775 0.167 1
1 585 . 10 1 1 A 74 74 LYS HA H 74 4.280 4.904 -0.624 1
1 593 . 10 1 1 A 74 74 LYS CA C 74 55.124 55.934 -0.810 1
1 594 . 10 1 1 A 74 74 LYS CB C 74 33.198 40.687 -7.489 1
1 598 . 10 1 1 A 74 74 LYS N N 74 120.706 115.721 4.985 1
1 599 . 10 1 1 A 75 75 VAL H H 75 7.227 8.390 -1.163 1
1 600 . 10 1 1 A 75 75 VAL HA H 75 3.315 4.540 -1.225 1
1 608 . 10 1 1 A 75 75 VAL CA C 75 67.599 63.547 4.052 1
1 609 . 10 1 1 A 75 75 VAL CB C 75 31.540 71.162 -39.622 1
1 612 . 10 1 1 A 75 75 VAL N N 75 120.147 115.763 4.384 1
1 613 . 10 1 1 A 76 76 ASP H H 76 8.851 8.001 0.850 1
1 614 . 10 1 1 A 76 76 ASP HA H 76 4.402 3.929 0.473 1
1 617 . 10 1 1 A 76 76 ASP CA C 76 59.568 59.381 0.187 1
1 618 . 10 1 1 A 76 76 ASP CB C 76 37.667 31.981 5.686 1
1 619 . 10 1 1 A 76 76 ASP N N 76 117.992 122.152 -4.160 1
1 620 . 10 1 1 A 77 77 PRO HA H 77 4.158 4.241 -0.083 1
1 626 . 10 1 1 A 77 77 PRO CA C 77 66.237 55.286 10.951 1
1 627 . 10 1 1 A 77 77 PRO CB C 77 31.347 42.293 -10.946 1
1 630 . 10 1 1 A 78 78 ILE H H 78 7.243 8.519 -1.276 1
1 631 . 10 1 1 A 78 78 ILE HA H 78 3.315 4.510 -1.195 1
1 641 . 10 1 1 A 78 78 ILE CA C 78 65.957 54.505 11.452 1
1 642 . 10 1 1 A 78 78 ILE CB C 78 38.787 38.029 0.758 1
1 646 . 10 1 1 A 78 78 ILE N N 78 119.472 116.463 3.009 1
1 647 . 10 1 1 A 79 79 ILE H H 79 8.180 8.052 0.128 1
1 648 . 10 1 1 A 79 79 ILE HA H 79 3.218 4.408 -1.190 1
1 658 . 10 1 1 A 79 79 ILE CA C 79 65.939 58.364 7.575 1
1 659 . 10 1 1 A 79 79 ILE CB C 79 37.344 29.784 7.560 1
1 663 . 10 1 1 A 79 79 ILE N N 79 119.472 115.145 4.327 1
1 664 . 10 1 1 A 80 80 HIS H H 80 8.671 7.908 0.763 1
1 665 . 10 1 1 A 80 80 HIS HA H 80 4.351 4.660 -0.309 1
1 670 . 10 1 1 A 80 80 HIS CA C 80 58.731 54.959 3.772 1
1 671 . 10 1 1 A 80 80 HIS CB C 80 27.913 42.532 -14.619 1
1 672 . 10 1 1 A 80 80 HIS N N 80 117.252 118.168 -0.916 1
1 1 . 11 1 1 A 12 12 SER H H 12 8.509 8.291 0.218 1
1 2 . 11 1 1 A 12 12 SER HA H 12 4.430 4.039 0.391 1
1 4 . 11 1 1 A 12 12 SER N N 12 118.485 116.873 1.612 1
1 5 . 11 1 1 A 13 13 GLY H H 13 8.404 7.783 0.621 1
1 7 . 11 1 1 A 13 13 GLY N N 13 111.084 119.030 -7.946 1
1 8 . 11 1 1 A 14 14 ILE H H 14 8.006 7.825 0.181 1
1 9 . 11 1 1 A 14 14 ILE HA H 14 4.086 4.022 0.064 1
1 14 . 11 1 1 A 14 14 ILE N N 14 119.966 121.870 -1.904 1
1 15 . 11 1 1 A 15 15 GLU H H 15 8.528 7.899 0.629 1
1 16 . 11 1 1 A 15 15 GLU HA H 15 4.197 4.185 0.012 1
1 19 . 11 1 1 A 15 15 GLU N N 15 124.654 119.209 5.445 1
1 20 . 11 1 1 A 16 16 GLY H H 16 8.343 8.763 -0.420 1
1 22 . 11 1 1 A 16 16 GLY N N 16 110.097 121.309 -11.212 1
1 23 . 11 1 1 A 17 17 ARG H H 17 8.143 8.840 -0.697 1
1 24 . 11 1 1 A 17 17 ARG HA H 17 4.319 3.766 0.553 1
1 28 . 11 1 1 A 17 17 ARG N N 17 120.459 118.870 1.589 1
1 29 . 11 1 1 A 18 18 GLY H H 18 8.477 8.132 0.345 1
1 30 . 11 1 1 A 18 18 GLY HA2 H 18 3.894 4.184 -0.290 1
1 31 . 11 1 1 A 18 18 GLY N N 18 110.097 108.011 2.086 1
1 32 . 11 1 1 A 19 19 ARG H H 19 8.105 8.232 -0.127 1
1 33 . 11 1 1 A 19 19 ARG HA H 19 4.283 4.800 -0.517 1
1 38 . 11 1 1 A 19 19 ARG CA C 19 56.218 61.151 -4.933 1
1 39 . 11 1 1 A 19 19 ARG CB C 19 30.987 63.599 -32.612 1
1 42 . 11 1 1 A 19 19 ARG N N 19 120.706 115.240 5.466 1
1 43 . 11 1 1 A 20 20 SER H H 20 8.553 8.104 0.449 1
1 44 . 11 1 1 A 20 20 SER HA H 20 4.432 4.084 0.348 1
1 47 . 11 1 1 A 20 20 SER CA C 20 58.189 53.111 5.078 1
1 48 . 11 1 1 A 20 20 SER CB C 20 63.967 17.352 46.615 1
1 49 . 11 1 1 A 20 20 SER N N 20 117.992 122.110 -4.118 1
1 50 . 11 1 1 A 21 21 ALA H H 21 8.233 8.389 -0.156 1
1 51 . 11 1 1 A 21 21 ALA HA H 21 4.167 4.705 -0.538 1
1 55 . 11 1 1 A 21 21 ALA CA C 21 53.662 54.697 -1.035 1
1 56 . 11 1 1 A 21 21 ALA CB C 21 18.745 43.435 -24.690 1
1 57 . 11 1 1 A 21 21 ALA N N 21 126.792 114.424 12.368 1
1 58 . 11 1 1 A 22 22 LEU H H 22 8.402 8.109 0.293 1
1 59 . 11 1 1 A 22 22 LEU HA H 22 4.036 3.973 0.063 1
1 66 . 11 1 1 A 22 22 LEU CA C 22 55.382 57.535 -2.153 1
1 67 . 11 1 1 A 22 22 LEU CB C 22 42.077 29.951 12.126 1
1 70 . 11 1 1 A 22 22 LEU N N 22 121.062 117.256 3.806 1
1 71 . 11 1 1 A 23 23 SER H H 23 8.155 8.055 0.100 1
1 72 . 11 1 1 A 23 23 SER HA H 23 3.913 4.852 -0.939 1
1 75 . 11 1 1 A 23 23 SER CA C 23 63.166 52.827 10.339 1
1 76 . 11 1 1 A 23 23 SER CB C 23 62.894 42.086 20.808 1
1 77 . 11 1 1 A 23 23 SER N N 23 114.448 117.805 -3.357 1
1 78 . 11 1 1 A 24 24 CYS H H 24 7.630 8.804 -1.174 1
1 79 . 11 1 1 A 24 24 CYS HA H 24 4.389 3.734 0.655 1
1 82 . 11 1 1 A 24 24 CYS CB C 24 37.631 18.366 19.265 1
1 83 . 11 1 1 A 24 24 CYS N N 24 120.980 127.974 -6.994 1
1 84 . 11 1 1 A 25 25 GLN H H 25 8.056 7.950 0.106 1
1 85 . 11 1 1 A 25 25 GLN HA H 25 4.031 4.487 -0.456 1
1 91 . 11 1 1 A 25 25 GLN CA C 25 59.555 55.983 3.572 1
1 92 . 11 1 1 A 25 25 GLN CB C 25 30.148 38.840 -8.692 1
1 94 . 11 1 1 A 25 25 GLN N N 25 118.033 116.762 1.271 1
1 96 . 11 1 1 A 26 26 MET H H 26 8.246 7.622 0.624 1
1 97 . 11 1 1 A 26 26 MET HA H 26 3.889 3.856 0.033 1
1 105 . 11 1 1 A 26 26 MET CA C 26 61.790 65.501 -3.711 1
1 106 . 11 1 1 A 26 26 MET CB C 26 35.426 31.265 4.161 1
1 109 . 11 1 1 A 26 26 MET N N 26 118.732 119.000 -0.268 1
1 110 . 11 1 1 A 27 27 CYS H H 27 8.415 7.365 1.050 1
1 111 . 11 1 1 A 27 27 CYS HA H 27 4.100 4.005 0.095 1
1 114 . 11 1 1 A 27 27 CYS CA C 27 61.807 63.892 -2.085 1
1 115 . 11 1 1 A 27 27 CYS CB C 27 42.874 37.656 5.218 1
1 116 . 11 1 1 A 27 27 CYS N N 27 121.237 121.193 0.044 1
1 117 . 11 1 1 A 28 28 GLU H H 28 8.581 8.338 0.243 1
1 118 . 11 1 1 A 28 28 GLU HA H 28 3.974 4.063 -0.089 1
1 123 . 11 1 1 A 28 28 GLU CA C 28 59.558 59.179 0.379 1
1 125 . 11 1 1 A 28 28 GLU N N 28 118.019 120.502 -2.483 1
1 126 . 11 1 1 A 29 29 LEU H H 29 7.881 7.674 0.207 1
1 127 . 11 1 1 A 29 29 LEU HA H 29 4.346 4.151 0.195 1
1 137 . 11 1 1 A 29 29 LEU CA C 29 57.877 59.675 -1.798 1
1 138 . 11 1 1 A 29 29 LEU CB C 29 42.067 32.172 9.895 1
1 142 . 11 1 1 A 29 29 LEU N N 29 122.680 119.858 2.822 1
1 143 . 11 1 1 A 30 30 VAL H H 30 8.251 8.280 -0.029 1
1 144 . 11 1 1 A 30 30 VAL HA H 30 3.315 4.309 -0.994 1
1 152 . 11 1 1 A 30 30 VAL CA C 30 64.085 57.351 6.734 1
1 153 . 11 1 1 A 30 30 VAL CB C 30 32.374 40.708 -8.334 1
1 156 . 11 1 1 A 30 30 VAL N N 30 120.953 119.786 1.167 1
1 157 . 11 1 1 A 31 31 VAL H H 31 8.071 8.711 -0.640 1
1 158 . 11 1 1 A 31 31 VAL HA H 31 3.340 4.001 -0.661 1
1 166 . 11 1 1 A 31 31 VAL CA C 31 67.602 62.051 5.551 1
1 167 . 11 1 1 A 31 31 VAL CB C 31 31.803 39.064 -7.261 1
1 170 . 11 1 1 A 31 31 VAL N N 31 118.979 121.405 -2.426 1
1 171 . 11 1 1 A 32 32 LYS H H 32 8.088 8.333 -0.245 1
1 172 . 11 1 1 A 32 32 LYS HA H 32 4.096 4.622 -0.526 1
1 178 . 11 1 1 A 32 32 LYS CA C 32 59.838 57.532 2.306 1
1 179 . 11 1 1 A 32 32 LYS CB C 32 32.651 41.816 -9.165 1
1 183 . 11 1 1 A 32 32 LYS N N 32 119.226 119.507 -0.281 1
1 184 . 11 1 1 A 33 33 LYS H H 33 8.460 8.619 -0.159 1
1 185 . 11 1 1 A 33 33 LYS HA H 33 4.176 4.004 0.172 1
1 194 . 11 1 1 A 33 33 LYS CA C 33 57.066 55.409 1.657 1
1 195 . 11 1 1 A 33 33 LYS CB C 33 31.540 18.945 12.595 1
1 199 . 11 1 1 A 33 33 LYS N N 33 118.868 121.466 -2.598 1
1 200 . 11 1 1 A 34 34 TYR H H 34 8.966 8.031 0.935 1
1 201 . 11 1 1 A 34 34 TYR HA H 34 3.935 3.905 0.030 1
1 205 . 11 1 1 A 34 34 TYR CA C 34 62.301 59.092 3.209 1
1 206 . 11 1 1 A 34 34 TYR CB C 34 39.007 29.017 9.990 1
1 207 . 11 1 1 A 34 34 TYR N N 34 121.940 117.754 4.186 1
1 208 . 11 1 1 A 35 35 GLU H H 35 8.980 7.999 0.981 1
1 209 . 11 1 1 A 35 35 GLU HA H 35 3.898 4.184 -0.286 1
1 214 . 11 1 1 A 35 35 GLU CA C 35 58.979 59.306 -0.327 1
1 215 . 11 1 1 A 35 35 GLU CB C 35 29.876 41.418 -11.542 1
1 217 . 11 1 1 A 35 35 GLU N N 35 118.239 118.496 -0.257 1
1 218 . 11 1 1 A 36 36 GLY H H 36 7.696 8.145 -0.449 1
1 221 . 11 1 1 A 36 36 GLY CA C 36 45.055 58.199 -13.144 1
1 222 . 11 1 1 A 36 36 GLY N N 36 103.730 119.828 -16.098 1
1 223 . 11 1 1 A 37 37 SER H H 37 6.977 7.485 -0.508 1
1 224 . 11 1 1 A 37 37 SER HA H 37 4.364 4.389 -0.025 1
1 227 . 11 1 1 A 37 37 SER CA C 37 57.087 57.453 -0.366 1
1 228 . 11 1 1 A 37 37 SER CB C 37 63.450 34.082 29.368 1
1 229 . 11 1 1 A 37 37 SER N N 37 115.525 117.599 -2.074 1
1 230 . 11 1 1 A 38 38 ALA H H 38 8.918 9.514 -0.596 1
1 231 . 11 1 1 A 38 38 ALA HA H 38 4.153 4.077 0.076 1
1 235 . 11 1 1 A 38 38 ALA CA C 38 54.285 57.716 -3.431 1
1 236 . 11 1 1 A 38 38 ALA CB C 38 18.784 41.614 -22.830 1
1 237 . 11 1 1 A 38 38 ALA N N 38 131.315 120.762 10.553 1
1 238 . 11 1 1 A 39 39 ASP H H 39 7.712 8.182 -0.470 1
1 239 . 11 1 1 A 39 39 ASP HA H 39 4.578 4.503 0.075 1
1 242 . 11 1 1 A 39 39 ASP CA C 39 52.907 59.863 -6.956 1
1 243 . 11 1 1 A 39 39 ASP CB C 39 41.519 38.132 3.387 1
1 244 . 11 1 1 A 39 39 ASP N N 39 114.785 117.812 -3.027 1
1 245 . 11 1 1 A 40 40 LYS H H 40 8.386 8.047 0.339 1
1 246 . 11 1 1 A 40 40 LYS HA H 40 3.604 4.286 -0.682 1
1 255 . 11 1 1 A 40 40 LYS CA C 40 54.835 59.937 -5.102 1
1 256 . 11 1 1 A 40 40 LYS CB C 40 29.039 30.432 -1.393 1
1 260 . 11 1 1 A 40 40 LYS N N 40 119.226 119.792 -0.566 1
1 261 . 11 1 1 A 41 41 ASP H H 41 7.523 8.362 -0.839 1
1 262 . 11 1 1 A 41 41 ASP HA H 41 4.376 3.702 0.674 1
1 265 . 11 1 1 A 41 41 ASP CA C 41 54.330 64.389 -10.059 1
1 266 . 11 1 1 A 41 41 ASP CB C 41 42.108 68.600 -26.492 1
1 267 . 11 1 1 A 41 41 ASP N N 41 119.226 113.145 6.081 1
1 268 . 11 1 1 A 42 42 ALA H H 42 9.017 7.447 1.570 1
1 269 . 11 1 1 A 42 42 ALA HA H 42 3.860 4.006 -0.146 1
1 273 . 11 1 1 A 42 42 ALA CA C 42 55.680 59.137 -3.457 1
1 274 . 11 1 1 A 42 42 ALA CB C 42 19.315 37.304 -17.989 1
1 275 . 11 1 1 A 42 42 ALA N N 42 130.822 122.330 8.492 1
1 277 . 11 1 1 A 43 43 ASN HA H 43 4.386 4.014 0.372 1
1 280 . 11 1 1 A 43 43 ASN CA C 43 56.511 65.479 -8.968 1
1 281 . 11 1 1 A 43 43 ASN CB C 43 38.255 30.838 7.417 1
1 282 . 11 1 1 A 43 43 ASN N N 43 114.785 140.593 -25.808 1
1 283 . 11 1 1 A 44 44 VAL H H 44 7.510 7.292 0.218 1
1 284 . 11 1 1 A 44 44 VAL HA H 44 3.601 4.558 -0.957 1
1 292 . 11 1 1 A 44 44 VAL CA C 44 66.228 58.390 7.838 1
1 293 . 11 1 1 A 44 44 VAL CB C 44 33.117 38.248 -5.131 1
1 296 . 11 1 1 A 44 44 VAL N N 44 123.173 117.055 6.118 1
1 297 . 11 1 1 A 45 45 ILE H H 45 8.084 8.119 -0.035 1
1 308 . 11 1 1 A 45 45 ILE CA C 45 65.113 47.296 17.817 1
1 313 . 11 1 1 A 45 45 ILE N N 45 120.213 108.387 11.826 1
1 314 . 11 1 1 A 46 46 LYS H H 46 8.393 8.505 -0.112 1
1 315 . 11 1 1 A 46 46 LYS HA H 46 3.809 4.301 -0.492 1
1 320 . 11 1 1 A 46 46 LYS CA C 46 62.030 66.106 -4.076 1
1 321 . 11 1 1 A 46 46 LYS CB C 46 32.915 68.474 -35.559 1
1 324 . 11 1 1 A 46 46 LYS N N 46 118.239 116.225 2.014 1
1 325 . 11 1 1 A 47 47 LYS H H 47 7.469 8.291 -0.822 1
1 326 . 11 1 1 A 47 47 LYS HA H 47 4.128 4.099 0.029 1
1 332 . 11 1 1 A 47 47 LYS CA C 47 59.824 59.903 -0.079 1
1 333 . 11 1 1 A 47 47 LYS CB C 47 32.656 30.179 2.477 1
1 337 . 11 1 1 A 47 47 LYS N N 47 119.719 121.974 -2.255 1
1 338 . 11 1 1 A 48 48 ASP H H 48 8.697 8.543 0.154 1
1 339 . 11 1 1 A 48 48 ASP HA H 48 4.483 4.228 0.255 1
1 342 . 11 1 1 A 48 48 ASP CA C 48 57.054 59.221 -2.167 1
1 343 . 11 1 1 A 48 48 ASP CB C 48 40.422 28.698 11.724 1
1 344 . 11 1 1 A 48 48 ASP N N 48 122.433 118.470 3.963 1
1 345 . 11 1 1 A 49 49 PHE H H 49 9.328 8.722 0.606 1
1 346 . 11 1 1 A 49 49 PHE HA H 49 3.820 4.619 -0.799 1
1 351 . 11 1 1 A 49 49 PHE CA C 49 62.071 60.383 1.688 1
1 352 . 11 1 1 A 49 49 PHE CB C 49 39.041 42.312 -3.271 1
1 353 . 11 1 1 A 49 49 PHE N N 49 120.502 119.822 0.680 1
1 354 . 11 1 1 A 50 50 ASP H H 50 8.603 8.149 0.454 1
1 355 . 11 1 1 A 50 50 ASP HA H 50 3.855 4.472 -0.617 1
1 358 . 11 1 1 A 50 50 ASP CA C 50 57.655 57.019 0.636 1
1 359 . 11 1 1 A 50 50 ASP CB C 50 41.246 41.502 -0.256 1
1 360 . 11 1 1 A 50 50 ASP N N 50 120.706 122.106 -1.400 1
1 361 . 11 1 1 A 51 51 ALA H H 51 7.510 7.820 -0.310 1
1 362 . 11 1 1 A 51 51 ALA HA H 51 3.982 4.391 -0.409 1
1 366 . 11 1 1 A 51 51 ALA CA C 51 56.311 57.593 -1.282 1
1 367 . 11 1 1 A 51 51 ALA CB C 51 18.201 30.434 -12.233 1
1 368 . 11 1 1 A 51 51 ALA N N 51 117.499 120.026 -2.527 1
1 369 . 11 1 1 A 52 52 GLU H H 52 7.604 9.080 -1.476 1
1 370 . 11 1 1 A 52 52 GLU HA H 52 3.941 4.383 -0.442 1
1 374 . 11 1 1 A 52 52 GLU CA C 52 59.294 60.411 -1.117 1
1 375 . 11 1 1 A 52 52 GLU CB C 52 29.581 39.484 -9.903 1
1 377 . 11 1 1 A 52 52 GLU N N 52 118.979 119.663 -0.684 1
1 378 . 11 1 1 A 53 53 CYS H H 53 9.106 8.198 0.908 1
1 379 . 11 1 1 A 53 53 CYS HA H 53 3.502 3.617 -0.115 1
1 382 . 11 1 1 A 53 53 CYS CA C 53 60.943 64.719 -3.776 1
1 383 . 11 1 1 A 53 53 CYS CB C 53 37.388 31.468 5.920 1
1 384 . 11 1 1 A 53 53 CYS N N 53 120.292 117.558 2.734 1
1 385 . 11 1 1 A 54 54 LYS H H 54 7.888 7.561 0.327 1
1 386 . 11 1 1 A 54 54 LYS HA H 54 3.634 4.836 -1.202 1
1 394 . 11 1 1 A 54 54 LYS CA C 54 60.379 51.966 8.413 1
1 395 . 11 1 1 A 54 54 LYS CB C 54 32.093 39.069 -6.976 1
1 399 . 11 1 1 A 54 54 LYS N N 54 117.499 120.333 -2.834 1
1 400 . 11 1 1 A 55 55 LYS H H 55 7.300 8.276 -0.976 1
1 401 . 11 1 1 A 55 55 LYS HA H 55 4.028 4.396 -0.368 1
1 408 . 11 1 1 A 55 55 LYS CA C 55 59.571 58.568 1.003 1
1 409 . 11 1 1 A 55 55 LYS CB C 55 32.647 65.713 -33.066 1
1 412 . 11 1 1 A 55 55 LYS N N 55 120.213 118.045 2.168 1
1 413 . 11 1 1 A 56 56 LEU H H 56 8.074 8.054 0.020 1
1 414 . 11 1 1 A 56 56 LEU HA H 56 3.848 4.328 -0.480 1
1 424 . 11 1 1 A 56 56 LEU CA C 56 57.354 55.015 2.339 1
1 425 . 11 1 1 A 56 56 LEU CB C 56 41.816 32.876 8.940 1
1 429 . 11 1 1 A 56 56 LEU N N 56 119.719 117.828 1.891 1
1 430 . 11 1 1 A 57 57 PHE H H 57 8.054 7.585 0.469 1
1 431 . 11 1 1 A 57 57 PHE HA H 57 4.983 3.707 1.276 1
1 436 . 11 1 1 A 57 57 PHE CA C 57 56.470 65.094 -8.624 1
1 437 . 11 1 1 A 57 57 PHE CB C 57 37.916 31.768 6.148 1
1 438 . 11 1 1 A 57 57 PHE N N 57 113.798 117.994 -4.196 1
1 439 . 11 1 1 A 58 58 HIS H H 58 7.523 8.405 -0.882 1
1 440 . 11 1 1 A 58 58 HIS HA H 58 4.448 4.344 0.104 1
1 443 . 11 1 1 A 58 58 HIS CA C 58 59.037 58.962 0.075 1
1 444 . 11 1 1 A 58 58 HIS CB C 58 27.942 38.183 -10.241 1
1 445 . 11 1 1 A 58 58 HIS N N 58 116.758 120.493 -3.735 1
1 447 . 11 1 1 A 59 59 THR HA H 59 4.085 4.046 0.039 1
1 452 . 11 1 1 A 59 59 THR CA C 59 62.033 65.686 -3.653 1
1 453 . 11 1 1 A 59 59 THR CB C 59 68.425 30.527 37.898 1
1 455 . 11 1 1 A 59 59 THR N N 59 108.123 134.955 -26.832 1
1 456 . 11 1 1 A 60 60 ILE H H 60 7.540 7.541 -0.001 1
1 457 . 11 1 1 A 60 60 ILE HA H 60 4.444 3.723 0.721 1
1 467 . 11 1 1 A 60 60 ILE CA C 60 58.167 64.758 -6.591 1
1 468 . 11 1 1 A 60 60 ILE CB C 60 38.745 37.801 0.944 1
1 472 . 11 1 1 A 60 60 ILE N N 60 124.900 116.509 8.391 1
1 473 . 11 1 1 A 61 61 PRO HA H 61 4.105 3.940 0.165 1
1 480 . 11 1 1 A 61 61 PRO CA C 61 64.800 64.388 0.412 1
1 481 . 11 1 1 A 61 61 PRO CB C 61 31.271 37.261 -5.990 1
1 484 . 11 1 1 A 62 62 PHE HA H 62 4.560 4.247 0.313 1
1 487 . 11 1 1 A 62 62 PHE CA C 62 58.476 59.379 -0.903 1
1 488 . 11 1 1 A 62 62 PHE CB C 62 37.121 29.362 7.759 1
1 489 . 11 1 1 A 63 63 GLY H H 63 8.543 8.522 0.021 1
1 492 . 11 1 1 A 63 63 GLY CA C 63 47.897 58.964 -11.067 1
1 493 . 11 1 1 A 63 63 GLY N N 63 110.590 121.431 -10.841 1
1 494 . 11 1 1 A 64 64 THR H H 64 8.513 8.056 0.457 1
1 495 . 11 1 1 A 64 64 THR HA H 64 4.206 4.296 -0.090 1
1 500 . 11 1 1 A 64 64 THR CA C 64 67.646 57.932 9.714 1
1 501 . 11 1 1 A 64 64 THR CB C 64 67.349 41.285 26.064 1
1 503 . 11 1 1 A 64 64 THR N N 64 114.538 120.377 -5.839 1
1 504 . 11 1 1 A 65 65 ARG H H 65 7.519 9.206 -1.687 1
1 505 . 11 1 1 A 65 65 ARG HA H 65 4.177 4.159 0.018 1
1 512 . 11 1 1 A 65 65 ARG CA C 65 55.799 58.708 -2.909 1
1 513 . 11 1 1 A 65 65 ARG CB C 65 30.146 28.734 1.412 1
1 516 . 11 1 1 A 65 65 ARG N N 65 121.940 117.791 4.149 1
1 517 . 11 1 1 A 66 66 GLU H H 66 8.453 8.092 0.361 1
1 523 . 11 1 1 A 66 66 GLU CA C 66 58.981 46.480 12.501 1
1 526 . 11 1 1 A 66 66 GLU N N 66 120.459 107.994 12.465 1
1 527 . 11 1 1 A 67 67 CYS H H 67 8.467 8.173 0.294 1
1 531 . 11 1 1 A 67 67 CYS CA C 67 59.277 45.238 14.039 1
1 533 . 11 1 1 A 67 67 CYS N N 67 121.446 106.827 14.619 1
1 534 . 11 1 1 A 68 68 ASP H H 68 8.002 7.419 0.583 1
1 535 . 11 1 1 A 68 68 ASP HA H 68 4.514 4.217 0.297 1
1 538 . 11 1 1 A 68 68 ASP CA C 68 57.902 62.680 -4.778 1
1 539 . 11 1 1 A 68 68 ASP CB C 68 40.393 69.757 -29.364 1
1 540 . 11 1 1 A 68 68 ASP N N 68 120.459 116.025 4.434 1
1 541 . 11 1 1 A 69 69 HIS H H 69 8.564 8.700 -0.136 1
1 542 . 11 1 1 A 69 69 HIS HA H 69 4.510 4.645 -0.135 1
1 545 . 11 1 1 A 69 69 HIS CA C 69 58.127 50.643 7.484 1
1 546 . 11 1 1 A 69 69 HIS CB C 69 28.480 18.840 9.640 1
1 547 . 11 1 1 A 69 69 HIS N N 69 119.246 126.066 -6.820 1
1 549 . 11 1 1 A 70 70 TYR HA H 70 3.706 4.580 -0.874 1
1 553 . 11 1 1 A 70 70 TYR CA C 70 63.989 64.287 -0.298 1
1 554 . 11 1 1 A 70 70 TYR CB C 70 40.145 31.774 8.371 1
1 555 . 11 1 1 A 70 70 TYR N N 70 125.887 133.038 -7.151 1
1 556 . 11 1 1 A 71 71 VAL H H 71 8.295 8.528 -0.233 1
1 557 . 11 1 1 A 71 71 VAL HA H 71 3.554 4.442 -0.888 1
1 565 . 11 1 1 A 71 71 VAL CA C 71 67.021 56.182 10.839 1
1 566 . 11 1 1 A 71 71 VAL CB C 71 32.084 32.564 -0.480 1
1 569 . 11 1 1 A 71 71 VAL N N 71 118.239 115.165 3.074 1
1 570 . 11 1 1 A 72 72 ASN H H 72 7.511 7.729 -0.218 1
1 571 . 11 1 1 A 72 72 ASN HA H 72 4.558 4.842 -0.284 1
1 574 . 11 1 1 A 72 72 ASN CA C 72 55.116 54.109 1.007 1
1 575 . 11 1 1 A 72 72 ASN CB C 72 39.569 42.000 -2.431 1
1 576 . 11 1 1 A 72 72 ASN N N 72 116.018 118.732 -2.714 1
1 577 . 11 1 1 A 73 73 SER H H 73 7.709 7.876 -0.167 1
1 578 . 11 1 1 A 73 73 SER HA H 73 4.633 3.789 0.844 1
1 581 . 11 1 1 A 73 73 SER CA C 73 59.832 65.420 -5.588 1
1 582 . 11 1 1 A 73 73 SER CB C 73 65.899 31.645 34.254 1
1 583 . 11 1 1 A 73 73 SER N N 73 110.837 117.664 -6.827 1
1 584 . 11 1 1 A 74 74 LYS H H 74 7.942 8.040 -0.098 1
1 585 . 11 1 1 A 74 74 LYS HA H 74 4.280 4.453 -0.173 1
1 593 . 11 1 1 A 74 74 LYS CA C 74 55.124 57.966 -2.842 1
1 594 . 11 1 1 A 74 74 LYS CB C 74 33.198 41.664 -8.466 1
1 598 . 11 1 1 A 74 74 LYS N N 74 120.706 116.478 4.228 1
1 599 . 11 1 1 A 75 75 VAL H H 75 7.227 7.707 -0.480 1
1 600 . 11 1 1 A 75 75 VAL HA H 75 3.315 4.483 -1.168 1
1 608 . 11 1 1 A 75 75 VAL CA C 75 67.599 63.018 4.581 1
1 609 . 11 1 1 A 75 75 VAL CB C 75 31.540 70.141 -38.601 1
1 612 . 11 1 1 A 75 75 VAL N N 75 120.147 113.036 7.111 1
1 613 . 11 1 1 A 76 76 ASP H H 76 8.851 7.917 0.934 1
1 614 . 11 1 1 A 76 76 ASP HA H 76 4.402 4.139 0.263 1
1 617 . 11 1 1 A 76 76 ASP CA C 76 59.568 59.635 -0.067 1
1 618 . 11 1 1 A 76 76 ASP CB C 76 37.667 32.606 5.061 1
1 619 . 11 1 1 A 76 76 ASP N N 76 117.992 121.820 -3.828 1
1 620 . 11 1 1 A 77 77 PRO HA H 77 4.158 4.358 -0.200 1
1 626 . 11 1 1 A 77 77 PRO CA C 77 66.237 54.517 11.720 1
1 627 . 11 1 1 A 77 77 PRO CB C 77 31.347 41.842 -10.495 1
1 630 . 11 1 1 A 78 78 ILE H H 78 7.243 8.082 -0.839 1
1 631 . 11 1 1 A 78 78 ILE HA H 78 3.315 4.461 -1.146 1
1 641 . 11 1 1 A 78 78 ILE CA C 78 65.957 54.168 11.789 1
1 642 . 11 1 1 A 78 78 ILE CB C 78 38.787 37.307 1.480 1
1 646 . 11 1 1 A 78 78 ILE N N 78 119.472 116.047 3.425 1
1 647 . 11 1 1 A 79 79 ILE H H 79 8.180 7.926 0.254 1
1 648 . 11 1 1 A 79 79 ILE HA H 79 3.218 4.048 -0.830 1
1 658 . 11 1 1 A 79 79 ILE CA C 79 65.939 59.125 6.814 1
1 659 . 11 1 1 A 79 79 ILE CB C 79 37.344 29.146 8.198 1
1 663 . 11 1 1 A 79 79 ILE N N 79 119.472 117.206 2.266 1
1 664 . 11 1 1 A 80 80 HIS H H 80 8.671 7.437 1.234 1
1 665 . 11 1 1 A 80 80 HIS HA H 80 4.351 4.572 -0.221 1
1 670 . 11 1 1 A 80 80 HIS CA C 80 58.731 55.302 3.429 1
1 671 . 11 1 1 A 80 80 HIS CB C 80 27.913 43.601 -15.688 1
1 672 . 11 1 1 A 80 80 HIS N N 80 117.252 116.660 0.592 1
1 1 . 12 1 1 A 12 12 SER H H 12 8.509 8.316 0.193 1
1 2 . 12 1 1 A 12 12 SER HA H 12 4.430 4.015 0.415 1
1 4 . 12 1 1 A 12 12 SER N N 12 118.485 116.877 1.608 1
1 5 . 12 1 1 A 13 13 GLY H H 13 8.404 7.953 0.451 1
1 7 . 12 1 1 A 13 13 GLY N N 13 111.084 118.912 -7.828 1
1 8 . 12 1 1 A 14 14 ILE H H 14 8.006 8.261 -0.255 1
1 9 . 12 1 1 A 14 14 ILE HA H 14 4.086 4.031 0.055 1
1 14 . 12 1 1 A 14 14 ILE N N 14 119.966 122.428 -2.462 1
1 15 . 12 1 1 A 15 15 GLU H H 15 8.528 7.702 0.826 1
1 16 . 12 1 1 A 15 15 GLU HA H 15 4.197 4.144 0.053 1
1 19 . 12 1 1 A 15 15 GLU N N 15 124.654 118.795 5.859 1
1 20 . 12 1 1 A 16 16 GLY H H 16 8.343 8.737 -0.394 1
1 22 . 12 1 1 A 16 16 GLY N N 16 110.097 121.613 -11.516 1
1 23 . 12 1 1 A 17 17 ARG H H 17 8.143 8.531 -0.388 1
1 24 . 12 1 1 A 17 17 ARG HA H 17 4.319 3.629 0.690 1
1 28 . 12 1 1 A 17 17 ARG N N 17 120.459 118.778 1.681 1
1 29 . 12 1 1 A 18 18 GLY H H 18 8.477 8.056 0.421 1
1 30 . 12 1 1 A 18 18 GLY HA2 H 18 3.894 4.214 -0.320 1
1 31 . 12 1 1 A 18 18 GLY N N 18 110.097 107.628 2.469 1
1 32 . 12 1 1 A 19 19 ARG H H 19 8.105 8.248 -0.143 1
1 33 . 12 1 1 A 19 19 ARG HA H 19 4.283 4.457 -0.174 1
1 38 . 12 1 1 A 19 19 ARG CA C 19 56.218 60.861 -4.643 1
1 39 . 12 1 1 A 19 19 ARG CB C 19 30.987 64.553 -33.566 1
1 42 . 12 1 1 A 19 19 ARG N N 19 120.706 114.818 5.888 1
1 43 . 12 1 1 A 20 20 SER H H 20 8.553 7.978 0.575 1
1 44 . 12 1 1 A 20 20 SER HA H 20 4.432 4.218 0.214 1
1 47 . 12 1 1 A 20 20 SER CA C 20 58.189 54.603 3.586 1
1 48 . 12 1 1 A 20 20 SER CB C 20 63.967 17.812 46.155 1
1 49 . 12 1 1 A 20 20 SER N N 20 117.992 121.298 -3.306 1
1 50 . 12 1 1 A 21 21 ALA H H 21 8.233 8.058 0.175 1
1 51 . 12 1 1 A 21 21 ALA HA H 21 4.167 4.773 -0.606 1
1 55 . 12 1 1 A 21 21 ALA CA C 21 53.662 53.907 -0.245 1
1 56 . 12 1 1 A 21 21 ALA CB C 21 18.745 42.009 -23.264 1
1 57 . 12 1 1 A 21 21 ALA N N 21 126.792 116.553 10.239 1
1 58 . 12 1 1 A 22 22 LEU H H 22 8.402 7.934 0.468 1
1 59 . 12 1 1 A 22 22 LEU HA H 22 4.036 3.933 0.103 1
1 66 . 12 1 1 A 22 22 LEU CA C 22 55.382 57.195 -1.813 1
1 67 . 12 1 1 A 22 22 LEU CB C 22 42.077 30.171 11.906 1
1 70 . 12 1 1 A 22 22 LEU N N 22 121.062 117.395 3.667 1
1 71 . 12 1 1 A 23 23 SER H H 23 8.155 7.846 0.309 1
1 72 . 12 1 1 A 23 23 SER HA H 23 3.913 4.817 -0.904 1
1 75 . 12 1 1 A 23 23 SER CA C 23 63.166 53.657 9.509 1
1 76 . 12 1 1 A 23 23 SER CB C 23 62.894 42.782 20.112 1
1 77 . 12 1 1 A 23 23 SER N N 23 114.448 117.857 -3.409 1
1 78 . 12 1 1 A 24 24 CYS H H 24 7.630 8.954 -1.324 1
1 79 . 12 1 1 A 24 24 CYS HA H 24 4.389 3.988 0.401 1
1 82 . 12 1 1 A 24 24 CYS CB C 24 37.631 18.441 19.190 1
1 83 . 12 1 1 A 24 24 CYS N N 24 120.980 128.429 -7.449 1
1 84 . 12 1 1 A 25 25 GLN H H 25 8.056 7.963 0.093 1
1 85 . 12 1 1 A 25 25 GLN HA H 25 4.031 4.582 -0.551 1
1 91 . 12 1 1 A 25 25 GLN CA C 25 59.555 55.548 4.007 1
1 92 . 12 1 1 A 25 25 GLN CB C 25 30.148 38.748 -8.600 1
1 94 . 12 1 1 A 25 25 GLN N N 25 118.033 116.841 1.192 1
1 96 . 12 1 1 A 26 26 MET H H 26 8.246 7.866 0.380 1
1 97 . 12 1 1 A 26 26 MET HA H 26 3.889 3.839 0.050 1
1 105 . 12 1 1 A 26 26 MET CA C 26 61.790 65.326 -3.536 1
1 106 . 12 1 1 A 26 26 MET CB C 26 35.426 31.394 4.032 1
1 109 . 12 1 1 A 26 26 MET N N 26 118.732 119.324 -0.592 1
1 110 . 12 1 1 A 27 27 CYS H H 27 8.415 7.496 0.919 1
1 111 . 12 1 1 A 27 27 CYS HA H 27 4.100 3.976 0.124 1
1 114 . 12 1 1 A 27 27 CYS CA C 27 61.807 64.100 -2.293 1
1 115 . 12 1 1 A 27 27 CYS CB C 27 42.874 37.639 5.235 1
1 116 . 12 1 1 A 27 27 CYS N N 27 121.237 121.225 0.012 1
1 117 . 12 1 1 A 28 28 GLU H H 28 8.581 7.902 0.679 1
1 118 . 12 1 1 A 28 28 GLU HA H 28 3.974 4.066 -0.092 1
1 123 . 12 1 1 A 28 28 GLU CA C 28 59.558 59.269 0.289 1
1 125 . 12 1 1 A 28 28 GLU N N 28 118.019 120.587 -2.568 1
1 126 . 12 1 1 A 29 29 LEU H H 29 7.881 7.570 0.311 1
1 127 . 12 1 1 A 29 29 LEU HA H 29 4.346 4.129 0.217 1
1 137 . 12 1 1 A 29 29 LEU CA C 29 57.877 59.877 -2.000 1
1 138 . 12 1 1 A 29 29 LEU CB C 29 42.067 32.426 9.641 1
1 142 . 12 1 1 A 29 29 LEU N N 29 122.680 120.008 2.672 1
1 143 . 12 1 1 A 30 30 VAL H H 30 8.251 8.277 -0.026 1
1 144 . 12 1 1 A 30 30 VAL HA H 30 3.315 4.362 -1.047 1
1 152 . 12 1 1 A 30 30 VAL CA C 30 64.085 57.357 6.728 1
1 153 . 12 1 1 A 30 30 VAL CB C 30 32.374 40.474 -8.100 1
1 156 . 12 1 1 A 30 30 VAL N N 30 120.953 119.735 1.218 1
1 157 . 12 1 1 A 31 31 VAL H H 31 8.071 8.763 -0.692 1
1 158 . 12 1 1 A 31 31 VAL HA H 31 3.340 4.095 -0.755 1
1 166 . 12 1 1 A 31 31 VAL CA C 31 67.602 62.174 5.428 1
1 167 . 12 1 1 A 31 31 VAL CB C 31 31.803 39.055 -7.252 1
1 170 . 12 1 1 A 31 31 VAL N N 31 118.979 120.888 -1.909 1
1 171 . 12 1 1 A 32 32 LYS H H 32 8.088 8.441 -0.353 1
1 172 . 12 1 1 A 32 32 LYS HA H 32 4.096 4.457 -0.361 1
1 178 . 12 1 1 A 32 32 LYS CA C 32 59.838 57.833 2.005 1
1 179 . 12 1 1 A 32 32 LYS CB C 32 32.651 41.794 -9.143 1
1 183 . 12 1 1 A 32 32 LYS N N 32 119.226 119.476 -0.250 1
1 184 . 12 1 1 A 33 33 LYS H H 33 8.460 8.076 0.384 1
1 185 . 12 1 1 A 33 33 LYS HA H 33 4.176 4.076 0.100 1
1 194 . 12 1 1 A 33 33 LYS CA C 33 57.066 55.371 1.695 1
1 195 . 12 1 1 A 33 33 LYS CB C 33 31.540 18.538 13.002 1
1 199 . 12 1 1 A 33 33 LYS N N 33 118.868 121.388 -2.520 1
1 200 . 12 1 1 A 34 34 TYR H H 34 8.966 8.455 0.511 1
1 201 . 12 1 1 A 34 34 TYR HA H 34 3.935 3.908 0.027 1
1 205 . 12 1 1 A 34 34 TYR CA C 34 62.301 59.308 2.993 1
1 206 . 12 1 1 A 34 34 TYR CB C 34 39.007 28.907 10.100 1
1 207 . 12 1 1 A 34 34 TYR N N 34 121.940 117.528 4.412 1
1 208 . 12 1 1 A 35 35 GLU H H 35 8.980 8.415 0.565 1
1 209 . 12 1 1 A 35 35 GLU HA H 35 3.898 4.258 -0.360 1
1 214 . 12 1 1 A 35 35 GLU CA C 35 58.979 61.027 -2.048 1
1 215 . 12 1 1 A 35 35 GLU CB C 35 29.876 41.598 -11.722 1
1 217 . 12 1 1 A 35 35 GLU N N 35 118.239 118.124 0.115 1
1 218 . 12 1 1 A 36 36 GLY H H 36 7.696 8.113 -0.417 1
1 221 . 12 1 1 A 36 36 GLY CA C 36 45.055 58.228 -13.173 1
1 222 . 12 1 1 A 36 36 GLY N N 36 103.730 119.462 -15.732 1
1 223 . 12 1 1 A 37 37 SER H H 37 6.977 8.490 -1.513 1
1 224 . 12 1 1 A 37 37 SER HA H 37 4.364 4.392 -0.028 1
1 227 . 12 1 1 A 37 37 SER CA C 37 57.087 57.560 -0.473 1
1 228 . 12 1 1 A 37 37 SER CB C 37 63.450 33.780 29.670 1
1 229 . 12 1 1 A 37 37 SER N N 37 115.525 118.194 -2.669 1
1 230 . 12 1 1 A 38 38 ALA H H 38 8.918 8.689 0.229 1
1 231 . 12 1 1 A 38 38 ALA HA H 38 4.153 4.216 -0.063 1
1 235 . 12 1 1 A 38 38 ALA CA C 38 54.285 56.486 -2.201 1
1 236 . 12 1 1 A 38 38 ALA CB C 38 18.784 42.351 -23.567 1
1 237 . 12 1 1 A 38 38 ALA N N 38 131.315 117.574 13.741 1
1 238 . 12 1 1 A 39 39 ASP H H 39 7.712 8.085 -0.373 1
1 239 . 12 1 1 A 39 39 ASP HA H 39 4.578 4.502 0.076 1
1 242 . 12 1 1 A 39 39 ASP CA C 39 52.907 58.443 -5.536 1
1 243 . 12 1 1 A 39 39 ASP CB C 39 41.519 38.213 3.306 1
1 244 . 12 1 1 A 39 39 ASP N N 39 114.785 118.074 -3.289 1
1 245 . 12 1 1 A 40 40 LYS H H 40 8.386 8.146 0.240 1
1 246 . 12 1 1 A 40 40 LYS HA H 40 3.604 4.223 -0.619 1
1 255 . 12 1 1 A 40 40 LYS CA C 40 54.835 59.143 -4.308 1
1 256 . 12 1 1 A 40 40 LYS CB C 40 29.039 29.432 -0.393 1
1 260 . 12 1 1 A 40 40 LYS N N 40 119.226 118.936 0.290 1
1 261 . 12 1 1 A 41 41 ASP H H 41 7.523 7.348 0.175 1
1 262 . 12 1 1 A 41 41 ASP HA H 41 4.376 3.803 0.573 1
1 265 . 12 1 1 A 41 41 ASP CA C 41 54.330 65.275 -10.945 1
1 266 . 12 1 1 A 41 41 ASP CB C 41 42.108 68.162 -26.054 1
1 267 . 12 1 1 A 41 41 ASP N N 41 119.226 110.890 8.336 1
1 268 . 12 1 1 A 42 42 ALA H H 42 9.017 7.595 1.422 1
1 269 . 12 1 1 A 42 42 ALA HA H 42 3.860 4.009 -0.149 1
1 273 . 12 1 1 A 42 42 ALA CA C 42 55.680 59.731 -4.051 1
1 274 . 12 1 1 A 42 42 ALA CB C 42 19.315 37.610 -18.295 1
1 275 . 12 1 1 A 42 42 ALA N N 42 130.822 124.210 6.612 1
1 277 . 12 1 1 A 43 43 ASN HA H 43 4.386 4.189 0.197 1
1 280 . 12 1 1 A 43 43 ASN CA C 43 56.511 65.726 -9.215 1
1 281 . 12 1 1 A 43 43 ASN CB C 43 38.255 31.199 7.056 1
1 282 . 12 1 1 A 43 43 ASN N N 43 114.785 141.330 -26.545 1
1 283 . 12 1 1 A 44 44 VAL H H 44 7.510 8.000 -0.490 1
1 284 . 12 1 1 A 44 44 VAL HA H 44 3.601 4.351 -0.750 1
1 292 . 12 1 1 A 44 44 VAL CA C 44 66.228 60.161 6.067 1
1 293 . 12 1 1 A 44 44 VAL CB C 44 33.117 37.400 -4.283 1
1 296 . 12 1 1 A 44 44 VAL N N 44 123.173 115.586 7.587 1
1 297 . 12 1 1 A 45 45 ILE H H 45 8.084 7.951 0.133 1
1 308 . 12 1 1 A 45 45 ILE CA C 45 65.113 47.030 18.083 1
1 313 . 12 1 1 A 45 45 ILE N N 45 120.213 109.544 10.669 1
1 314 . 12 1 1 A 46 46 LYS H H 46 8.393 7.797 0.596 1
1 315 . 12 1 1 A 46 46 LYS HA H 46 3.809 4.061 -0.252 1
1 320 . 12 1 1 A 46 46 LYS CA C 46 62.030 65.541 -3.511 1
1 321 . 12 1 1 A 46 46 LYS CB C 46 32.915 68.084 -35.169 1
1 324 . 12 1 1 A 46 46 LYS N N 46 118.239 116.117 2.122 1
1 325 . 12 1 1 A 47 47 LYS H H 47 7.469 7.680 -0.211 1
1 326 . 12 1 1 A 47 47 LYS HA H 47 4.128 4.084 0.044 1
1 332 . 12 1 1 A 47 47 LYS CA C 47 59.824 59.786 0.038 1
1 333 . 12 1 1 A 47 47 LYS CB C 47 32.656 30.025 2.631 1
1 337 . 12 1 1 A 47 47 LYS N N 47 119.719 121.735 -2.016 1
1 338 . 12 1 1 A 48 48 ASP H H 48 8.697 9.358 -0.661 1
1 339 . 12 1 1 A 48 48 ASP HA H 48 4.483 4.063 0.420 1
1 342 . 12 1 1 A 48 48 ASP CA C 48 57.054 59.468 -2.414 1
1 343 . 12 1 1 A 48 48 ASP CB C 48 40.422 29.055 11.367 1
1 344 . 12 1 1 A 48 48 ASP N N 48 122.433 118.165 4.268 1
1 345 . 12 1 1 A 49 49 PHE H H 49 9.328 8.365 0.963 1
1 346 . 12 1 1 A 49 49 PHE HA H 49 3.820 4.602 -0.782 1
1 351 . 12 1 1 A 49 49 PHE CA C 49 62.071 60.523 1.548 1
1 352 . 12 1 1 A 49 49 PHE CB C 49 39.041 41.128 -2.087 1
1 353 . 12 1 1 A 49 49 PHE N N 49 120.502 118.858 1.644 1
1 354 . 12 1 1 A 50 50 ASP H H 50 8.603 8.706 -0.103 1
1 355 . 12 1 1 A 50 50 ASP HA H 50 3.855 4.566 -0.711 1
1 358 . 12 1 1 A 50 50 ASP CA C 50 57.655 56.611 1.044 1
1 359 . 12 1 1 A 50 50 ASP CB C 50 41.246 41.133 0.113 1
1 360 . 12 1 1 A 50 50 ASP N N 50 120.706 122.062 -1.356 1
1 361 . 12 1 1 A 51 51 ALA H H 51 7.510 7.582 -0.072 1
1 362 . 12 1 1 A 51 51 ALA HA H 51 3.982 4.585 -0.603 1
1 366 . 12 1 1 A 51 51 ALA CA C 51 56.311 56.681 -0.370 1
1 367 . 12 1 1 A 51 51 ALA CB C 51 18.201 29.685 -11.484 1
1 368 . 12 1 1 A 51 51 ALA N N 51 117.499 117.033 0.466 1
1 369 . 12 1 1 A 52 52 GLU H H 52 7.604 8.209 -0.605 1
1 370 . 12 1 1 A 52 52 GLU HA H 52 3.941 4.295 -0.354 1
1 374 . 12 1 1 A 52 52 GLU CA C 52 59.294 60.146 -0.852 1
1 375 . 12 1 1 A 52 52 GLU CB C 52 29.581 39.566 -9.985 1
1 377 . 12 1 1 A 52 52 GLU N N 52 118.979 119.993 -1.014 1
1 378 . 12 1 1 A 53 53 CYS H H 53 9.106 7.263 1.843 1
1 379 . 12 1 1 A 53 53 CYS HA H 53 3.502 3.820 -0.318 1
1 382 . 12 1 1 A 53 53 CYS CA C 53 60.943 60.818 0.125 1
1 383 . 12 1 1 A 53 53 CYS CB C 53 37.388 31.018 6.370 1
1 384 . 12 1 1 A 53 53 CYS N N 53 120.292 112.156 8.136 1
1 385 . 12 1 1 A 54 54 LYS H H 54 7.888 7.967 -0.079 1
1 386 . 12 1 1 A 54 54 LYS HA H 54 3.634 4.869 -1.235 1
1 394 . 12 1 1 A 54 54 LYS CA C 54 60.379 52.561 7.818 1
1 395 . 12 1 1 A 54 54 LYS CB C 54 32.093 38.662 -6.569 1
1 399 . 12 1 1 A 54 54 LYS N N 54 117.499 120.520 -3.021 1
1 400 . 12 1 1 A 55 55 LYS H H 55 7.300 7.882 -0.582 1
1 401 . 12 1 1 A 55 55 LYS HA H 55 4.028 4.493 -0.465 1
1 408 . 12 1 1 A 55 55 LYS CA C 55 59.571 58.681 0.890 1
1 409 . 12 1 1 A 55 55 LYS CB C 55 32.647 65.920 -33.273 1
1 412 . 12 1 1 A 55 55 LYS N N 55 120.213 114.083 6.130 1
1 413 . 12 1 1 A 56 56 LEU H H 56 8.074 7.873 0.201 1
1 414 . 12 1 1 A 56 56 LEU HA H 56 3.848 4.328 -0.480 1
1 424 . 12 1 1 A 56 56 LEU CA C 56 57.354 55.414 1.940 1
1 425 . 12 1 1 A 56 56 LEU CB C 56 41.816 33.179 8.637 1
1 429 . 12 1 1 A 56 56 LEU N N 56 119.719 117.764 1.955 1
1 430 . 12 1 1 A 57 57 PHE H H 57 8.054 7.574 0.480 1
1 431 . 12 1 1 A 57 57 PHE HA H 57 4.983 3.658 1.325 1
1 436 . 12 1 1 A 57 57 PHE CA C 57 56.470 65.022 -8.552 1
1 437 . 12 1 1 A 57 57 PHE CB C 57 37.916 31.874 6.042 1
1 438 . 12 1 1 A 57 57 PHE N N 57 113.798 117.971 -4.173 1
1 439 . 12 1 1 A 58 58 HIS H H 58 7.523 8.175 -0.652 1
1 440 . 12 1 1 A 58 58 HIS HA H 58 4.448 4.357 0.091 1
1 443 . 12 1 1 A 58 58 HIS CA C 58 59.037 59.197 -0.160 1
1 444 . 12 1 1 A 58 58 HIS CB C 58 27.942 38.580 -10.638 1
1 445 . 12 1 1 A 58 58 HIS N N 58 116.758 121.020 -4.262 1
1 447 . 12 1 1 A 59 59 THR HA H 59 4.085 4.816 -0.731 1
1 452 . 12 1 1 A 59 59 THR CA C 59 62.033 65.700 -3.667 1
1 453 . 12 1 1 A 59 59 THR CB C 59 68.425 30.569 37.856 1
1 455 . 12 1 1 A 59 59 THR N N 59 108.123 135.410 -27.287 1
1 456 . 12 1 1 A 60 60 ILE H H 60 7.540 7.474 0.066 1
1 457 . 12 1 1 A 60 60 ILE HA H 60 4.444 3.553 0.891 1
1 467 . 12 1 1 A 60 60 ILE CA C 60 58.167 64.242 -6.075 1
1 468 . 12 1 1 A 60 60 ILE CB C 60 38.745 37.814 0.931 1
1 472 . 12 1 1 A 60 60 ILE N N 60 124.900 115.872 9.028 1
1 473 . 12 1 1 A 61 61 PRO HA H 61 4.105 4.089 0.016 1
1 480 . 12 1 1 A 61 61 PRO CA C 61 64.800 63.428 1.372 1
1 481 . 12 1 1 A 61 61 PRO CB C 61 31.271 37.261 -5.990 1
1 484 . 12 1 1 A 62 62 PHE HA H 62 4.560 4.402 0.158 1
1 487 . 12 1 1 A 62 62 PHE CA C 62 58.476 58.373 0.103 1
1 488 . 12 1 1 A 62 62 PHE CB C 62 37.121 28.692 8.429 1
1 489 . 12 1 1 A 63 63 GLY H H 63 8.543 7.580 0.963 1
1 492 . 12 1 1 A 63 63 GLY CA C 63 47.897 58.936 -11.039 1
1 493 . 12 1 1 A 63 63 GLY N N 63 110.590 121.825 -11.235 1
1 494 . 12 1 1 A 64 64 THR H H 64 8.513 8.145 0.368 1
1 495 . 12 1 1 A 64 64 THR HA H 64 4.206 4.385 -0.179 1
1 500 . 12 1 1 A 64 64 THR CA C 64 67.646 58.137 9.509 1
1 501 . 12 1 1 A 64 64 THR CB C 64 67.349 41.499 25.850 1
1 503 . 12 1 1 A 64 64 THR N N 64 114.538 119.944 -5.406 1
1 504 . 12 1 1 A 65 65 ARG H H 65 7.519 9.317 -1.798 1
1 505 . 12 1 1 A 65 65 ARG HA H 65 4.177 4.220 -0.043 1
1 512 . 12 1 1 A 65 65 ARG CA C 65 55.799 58.824 -3.025 1
1 513 . 12 1 1 A 65 65 ARG CB C 65 30.146 28.398 1.748 1
1 516 . 12 1 1 A 65 65 ARG N N 65 121.940 118.699 3.241 1
1 517 . 12 1 1 A 66 66 GLU H H 66 8.453 8.128 0.325 1
1 523 . 12 1 1 A 66 66 GLU CA C 66 58.981 46.311 12.670 1
1 526 . 12 1 1 A 66 66 GLU N N 66 120.459 108.399 12.060 1
1 527 . 12 1 1 A 67 67 CYS H H 67 8.467 8.057 0.410 1
1 531 . 12 1 1 A 67 67 CYS CA C 67 59.277 45.274 14.003 1
1 533 . 12 1 1 A 67 67 CYS N N 67 121.446 106.742 14.704 1
1 534 . 12 1 1 A 68 68 ASP H H 68 8.002 7.651 0.351 1
1 535 . 12 1 1 A 68 68 ASP HA H 68 4.514 4.248 0.266 1
1 538 . 12 1 1 A 68 68 ASP CA C 68 57.902 62.679 -4.777 1
1 539 . 12 1 1 A 68 68 ASP CB C 68 40.393 69.750 -29.357 1
1 540 . 12 1 1 A 68 68 ASP N N 68 120.459 115.642 4.817 1
1 541 . 12 1 1 A 69 69 HIS H H 69 8.564 8.741 -0.177 1
1 542 . 12 1 1 A 69 69 HIS HA H 69 4.510 4.680 -0.170 1
1 545 . 12 1 1 A 69 69 HIS CA C 69 58.127 50.435 7.692 1
1 546 . 12 1 1 A 69 69 HIS CB C 69 28.480 19.088 9.392 1
1 547 . 12 1 1 A 69 69 HIS N N 69 119.246 125.901 -6.655 1
1 549 . 12 1 1 A 70 70 TYR HA H 70 3.706 4.545 -0.839 1
1 553 . 12 1 1 A 70 70 TYR CA C 70 63.989 64.334 -0.345 1
1 554 . 12 1 1 A 70 70 TYR CB C 70 40.145 31.830 8.315 1
1 555 . 12 1 1 A 70 70 TYR N N 70 125.887 133.685 -7.798 1
1 556 . 12 1 1 A 71 71 VAL H H 71 8.295 8.762 -0.467 1
1 557 . 12 1 1 A 71 71 VAL HA H 71 3.554 4.275 -0.721 1
1 565 . 12 1 1 A 71 71 VAL CA C 71 67.021 56.565 10.456 1
1 566 . 12 1 1 A 71 71 VAL CB C 71 32.084 32.391 -0.307 1
1 569 . 12 1 1 A 71 71 VAL N N 71 118.239 115.674 2.565 1
1 570 . 12 1 1 A 72 72 ASN H H 72 7.511 7.800 -0.289 1
1 571 . 12 1 1 A 72 72 ASN HA H 72 4.558 4.730 -0.172 1
1 574 . 12 1 1 A 72 72 ASN CA C 72 55.116 55.016 0.100 1
1 575 . 12 1 1 A 72 72 ASN CB C 72 39.569 42.175 -2.606 1
1 576 . 12 1 1 A 72 72 ASN N N 72 116.018 118.730 -2.712 1
1 577 . 12 1 1 A 73 73 SER H H 73 7.709 7.665 0.044 1
1 578 . 12 1 1 A 73 73 SER HA H 73 4.633 3.486 1.147 1
1 581 . 12 1 1 A 73 73 SER CA C 73 59.832 66.707 -6.875 1
1 582 . 12 1 1 A 73 73 SER CB C 73 65.899 31.282 34.617 1
1 583 . 12 1 1 A 73 73 SER N N 73 110.837 119.948 -9.111 1
1 584 . 12 1 1 A 74 74 LYS H H 74 7.942 7.869 0.073 1
1 585 . 12 1 1 A 74 74 LYS HA H 74 4.280 4.746 -0.466 1
1 593 . 12 1 1 A 74 74 LYS CA C 74 55.124 56.132 -1.008 1
1 594 . 12 1 1 A 74 74 LYS CB C 74 33.198 40.896 -7.698 1
1 598 . 12 1 1 A 74 74 LYS N N 74 120.706 115.415 5.291 1
1 599 . 12 1 1 A 75 75 VAL H H 75 7.227 8.251 -1.024 1
1 600 . 12 1 1 A 75 75 VAL HA H 75 3.315 4.530 -1.215 1
1 608 . 12 1 1 A 75 75 VAL CA C 75 67.599 63.522 4.077 1
1 609 . 12 1 1 A 75 75 VAL CB C 75 31.540 70.433 -38.893 1
1 612 . 12 1 1 A 75 75 VAL N N 75 120.147 114.096 6.051 1
1 613 . 12 1 1 A 76 76 ASP H H 76 8.851 8.275 0.576 1
1 614 . 12 1 1 A 76 76 ASP HA H 76 4.402 4.120 0.282 1
1 617 . 12 1 1 A 76 76 ASP CA C 76 59.568 59.375 0.193 1
1 618 . 12 1 1 A 76 76 ASP CB C 76 37.667 32.339 5.328 1
1 619 . 12 1 1 A 76 76 ASP N N 76 117.992 120.674 -2.682 1
1 620 . 12 1 1 A 77 77 PRO HA H 77 4.158 4.235 -0.077 1
1 626 . 12 1 1 A 77 77 PRO CA C 77 66.237 55.323 10.914 1
1 627 . 12 1 1 A 77 77 PRO CB C 77 31.347 42.162 -10.815 1
1 630 . 12 1 1 A 78 78 ILE H H 78 7.243 8.268 -1.025 1
1 631 . 12 1 1 A 78 78 ILE HA H 78 3.315 4.379 -1.064 1
1 641 . 12 1 1 A 78 78 ILE CA C 78 65.957 54.355 11.602 1
1 642 . 12 1 1 A 78 78 ILE CB C 78 38.787 37.654 1.133 1
1 646 . 12 1 1 A 78 78 ILE N N 78 119.472 117.085 2.387 1
1 647 . 12 1 1 A 79 79 ILE H H 79 8.180 8.323 -0.143 1
1 648 . 12 1 1 A 79 79 ILE HA H 79 3.218 4.544 -1.326 1
1 658 . 12 1 1 A 79 79 ILE CA C 79 65.939 55.806 10.133 1
1 659 . 12 1 1 A 79 79 ILE CB C 79 37.344 29.211 8.133 1
1 663 . 12 1 1 A 79 79 ILE N N 79 119.472 116.403 3.069 1
1 664 . 12 1 1 A 80 80 HIS H H 80 8.671 8.249 0.422 1
1 665 . 12 1 1 A 80 80 HIS HA H 80 4.351 4.660 -0.309 1
1 670 . 12 1 1 A 80 80 HIS CA C 80 58.731 57.800 0.931 1
1 671 . 12 1 1 A 80 80 HIS CB C 80 27.913 44.503 -16.590 1
1 672 . 12 1 1 A 80 80 HIS N N 80 117.252 118.980 -1.728 1
1 1 . 13 1 1 A 12 12 SER H H 12 8.509 8.354 0.155 1
1 2 . 13 1 1 A 12 12 SER HA H 12 4.430 4.044 0.386 1
1 4 . 13 1 1 A 12 12 SER N N 12 118.485 117.003 1.482 1
1 5 . 13 1 1 A 13 13 GLY H H 13 8.404 7.993 0.411 1
1 7 . 13 1 1 A 13 13 GLY N N 13 111.084 118.838 -7.754 1
1 8 . 13 1 1 A 14 14 ILE H H 14 8.006 7.895 0.111 1
1 9 . 13 1 1 A 14 14 ILE HA H 14 4.086 4.028 0.058 1
1 14 . 13 1 1 A 14 14 ILE N N 14 119.966 122.417 -2.451 1
1 15 . 13 1 1 A 15 15 GLU H H 15 8.528 7.796 0.732 1
1 16 . 13 1 1 A 15 15 GLU HA H 15 4.197 4.191 0.006 1
1 19 . 13 1 1 A 15 15 GLU N N 15 124.654 119.003 5.651 1
1 20 . 13 1 1 A 16 16 GLY H H 16 8.343 8.697 -0.354 1
1 22 . 13 1 1 A 16 16 GLY N N 16 110.097 121.056 -10.959 1
1 23 . 13 1 1 A 17 17 ARG H H 17 8.143 8.784 -0.641 1
1 24 . 13 1 1 A 17 17 ARG HA H 17 4.319 3.626 0.693 1
1 28 . 13 1 1 A 17 17 ARG N N 17 120.459 118.651 1.808 1
1 29 . 13 1 1 A 18 18 GLY H H 18 8.477 8.159 0.318 1
1 30 . 13 1 1 A 18 18 GLY HA2 H 18 3.894 4.025 -0.131 1
1 31 . 13 1 1 A 18 18 GLY N N 18 110.097 108.096 2.001 1
1 32 . 13 1 1 A 19 19 ARG H H 19 8.105 8.270 -0.165 1
1 33 . 13 1 1 A 19 19 ARG HA H 19 4.283 4.433 -0.150 1
1 38 . 13 1 1 A 19 19 ARG CA C 19 56.218 61.323 -5.105 1
1 39 . 13 1 1 A 19 19 ARG CB C 19 30.987 63.908 -32.921 1
1 42 . 13 1 1 A 19 19 ARG N N 19 120.706 115.470 5.236 1
1 43 . 13 1 1 A 20 20 SER H H 20 8.553 7.978 0.575 1
1 44 . 13 1 1 A 20 20 SER HA H 20 4.432 4.229 0.203 1
1 47 . 13 1 1 A 20 20 SER CA C 20 58.189 54.196 3.993 1
1 48 . 13 1 1 A 20 20 SER CB C 20 63.967 18.060 45.907 1
1 49 . 13 1 1 A 20 20 SER N N 20 117.992 121.692 -3.700 1
1 50 . 13 1 1 A 21 21 ALA H H 21 8.233 8.255 -0.022 1
1 51 . 13 1 1 A 21 21 ALA HA H 21 4.167 4.607 -0.440 1
1 55 . 13 1 1 A 21 21 ALA CA C 21 53.662 53.199 0.463 1
1 56 . 13 1 1 A 21 21 ALA CB C 21 18.745 41.248 -22.503 1
1 57 . 13 1 1 A 21 21 ALA N N 21 126.792 115.229 11.563 1
1 58 . 13 1 1 A 22 22 LEU H H 22 8.402 7.932 0.470 1
1 59 . 13 1 1 A 22 22 LEU HA H 22 4.036 3.933 0.103 1
1 66 . 13 1 1 A 22 22 LEU CA C 22 55.382 57.319 -1.937 1
1 67 . 13 1 1 A 22 22 LEU CB C 22 42.077 29.746 12.331 1
1 70 . 13 1 1 A 22 22 LEU N N 22 121.062 116.128 4.934 1
1 71 . 13 1 1 A 23 23 SER H H 23 8.155 7.917 0.238 1
1 72 . 13 1 1 A 23 23 SER HA H 23 3.913 4.920 -1.007 1
1 75 . 13 1 1 A 23 23 SER CA C 23 63.166 53.418 9.748 1
1 76 . 13 1 1 A 23 23 SER CB C 23 62.894 42.888 20.006 1
1 77 . 13 1 1 A 23 23 SER N N 23 114.448 117.864 -3.416 1
1 78 . 13 1 1 A 24 24 CYS H H 24 7.630 8.959 -1.329 1
1 79 . 13 1 1 A 24 24 CYS HA H 24 4.389 4.053 0.336 1
1 82 . 13 1 1 A 24 24 CYS CB C 24 37.631 18.396 19.235 1
1 83 . 13 1 1 A 24 24 CYS N N 24 120.980 127.509 -6.529 1
1 84 . 13 1 1 A 25 25 GLN H H 25 8.056 7.878 0.178 1
1 85 . 13 1 1 A 25 25 GLN HA H 25 4.031 4.544 -0.513 1
1 91 . 13 1 1 A 25 25 GLN CA C 25 59.555 55.851 3.704 1
1 92 . 13 1 1 A 25 25 GLN CB C 25 30.148 38.717 -8.569 1
1 94 . 13 1 1 A 25 25 GLN N N 25 118.033 116.199 1.834 1
1 96 . 13 1 1 A 26 26 MET H H 26 8.246 7.800 0.446 1
1 97 . 13 1 1 A 26 26 MET HA H 26 3.889 3.811 0.078 1
1 105 . 13 1 1 A 26 26 MET CA C 26 61.790 65.494 -3.704 1
1 106 . 13 1 1 A 26 26 MET CB C 26 35.426 31.325 4.101 1
1 109 . 13 1 1 A 26 26 MET N N 26 118.732 118.673 0.059 1
1 110 . 13 1 1 A 27 27 CYS H H 27 8.415 7.422 0.993 1
1 111 . 13 1 1 A 27 27 CYS HA H 27 4.100 3.915 0.185 1
1 114 . 13 1 1 A 27 27 CYS CA C 27 61.807 64.502 -2.695 1
1 115 . 13 1 1 A 27 27 CYS CB C 27 42.874 37.695 5.179 1
1 116 . 13 1 1 A 27 27 CYS N N 27 121.237 121.531 -0.294 1
1 117 . 13 1 1 A 28 28 GLU H H 28 8.581 7.920 0.661 1
1 118 . 13 1 1 A 28 28 GLU HA H 28 3.974 4.079 -0.105 1
1 123 . 13 1 1 A 28 28 GLU CA C 28 59.558 59.182 0.376 1
1 125 . 13 1 1 A 28 28 GLU N N 28 118.019 120.621 -2.602 1
1 126 . 13 1 1 A 29 29 LEU H H 29 7.881 7.574 0.307 1
1 127 . 13 1 1 A 29 29 LEU HA H 29 4.346 4.165 0.181 1
1 137 . 13 1 1 A 29 29 LEU CA C 29 57.877 59.754 -1.877 1
1 138 . 13 1 1 A 29 29 LEU CB C 29 42.067 32.240 9.827 1
1 142 . 13 1 1 A 29 29 LEU N N 29 122.680 119.553 3.127 1
1 143 . 13 1 1 A 30 30 VAL H H 30 8.251 8.395 -0.144 1
1 144 . 13 1 1 A 30 30 VAL HA H 30 3.315 4.333 -1.018 1
1 152 . 13 1 1 A 30 30 VAL CA C 30 64.085 57.499 6.586 1
1 153 . 13 1 1 A 30 30 VAL CB C 30 32.374 41.581 -9.207 1
1 156 . 13 1 1 A 30 30 VAL N N 30 120.953 120.074 0.879 1
1 157 . 13 1 1 A 31 31 VAL H H 31 8.071 8.701 -0.630 1
1 158 . 13 1 1 A 31 31 VAL HA H 31 3.340 4.061 -0.721 1
1 166 . 13 1 1 A 31 31 VAL CA C 31 67.602 62.300 5.302 1
1 167 . 13 1 1 A 31 31 VAL CB C 31 31.803 39.084 -7.281 1
1 170 . 13 1 1 A 31 31 VAL N N 31 118.979 121.147 -2.168 1
1 171 . 13 1 1 A 32 32 LYS H H 32 8.088 8.358 -0.270 1
1 172 . 13 1 1 A 32 32 LYS HA H 32 4.096 4.391 -0.295 1
1 178 . 13 1 1 A 32 32 LYS CA C 32 59.838 57.276 2.562 1
1 179 . 13 1 1 A 32 32 LYS CB C 32 32.651 40.811 -8.160 1
1 183 . 13 1 1 A 32 32 LYS N N 32 119.226 118.631 0.595 1
1 184 . 13 1 1 A 33 33 LYS H H 33 8.460 8.632 -0.172 1
1 185 . 13 1 1 A 33 33 LYS HA H 33 4.176 3.993 0.183 1
1 194 . 13 1 1 A 33 33 LYS CA C 33 57.066 55.418 1.648 1
1 195 . 13 1 1 A 33 33 LYS CB C 33 31.540 18.938 12.602 1
1 199 . 13 1 1 A 33 33 LYS N N 33 118.868 123.012 -4.144 1
1 200 . 13 1 1 A 34 34 TYR H H 34 8.966 8.207 0.759 1
1 201 . 13 1 1 A 34 34 TYR HA H 34 3.935 3.909 0.026 1
1 205 . 13 1 1 A 34 34 TYR CA C 34 62.301 59.111 3.190 1
1 206 . 13 1 1 A 34 34 TYR CB C 34 39.007 28.992 10.015 1
1 207 . 13 1 1 A 34 34 TYR N N 34 121.940 117.844 4.096 1
1 208 . 13 1 1 A 35 35 GLU H H 35 8.980 8.043 0.937 1
1 209 . 13 1 1 A 35 35 GLU HA H 35 3.898 4.177 -0.279 1
1 214 . 13 1 1 A 35 35 GLU CA C 35 58.979 59.664 -0.685 1
1 215 . 13 1 1 A 35 35 GLU CB C 35 29.876 41.405 -11.529 1
1 217 . 13 1 1 A 35 35 GLU N N 35 118.239 118.623 -0.384 1
1 218 . 13 1 1 A 36 36 GLY H H 36 7.696 8.419 -0.723 1
1 221 . 13 1 1 A 36 36 GLY CA C 36 45.055 58.631 -13.576 1
1 222 . 13 1 1 A 36 36 GLY N N 36 103.730 119.988 -16.258 1
1 223 . 13 1 1 A 37 37 SER H H 37 6.977 7.604 -0.627 1
1 224 . 13 1 1 A 37 37 SER HA H 37 4.364 4.503 -0.139 1
1 227 . 13 1 1 A 37 37 SER CA C 37 57.087 57.921 -0.834 1
1 228 . 13 1 1 A 37 37 SER CB C 37 63.450 32.955 30.495 1
1 229 . 13 1 1 A 37 37 SER N N 37 115.525 118.524 -2.999 1
1 230 . 13 1 1 A 38 38 ALA H H 38 8.918 9.344 -0.426 1
1 231 . 13 1 1 A 38 38 ALA HA H 38 4.153 3.851 0.302 1
1 235 . 13 1 1 A 38 38 ALA CA C 38 54.285 58.121 -3.836 1
1 236 . 13 1 1 A 38 38 ALA CB C 38 18.784 41.212 -22.428 1
1 237 . 13 1 1 A 38 38 ALA N N 38 131.315 120.386 10.929 1
1 238 . 13 1 1 A 39 39 ASP H H 39 7.712 8.227 -0.515 1
1 239 . 13 1 1 A 39 39 ASP HA H 39 4.578 4.620 -0.042 1
1 242 . 13 1 1 A 39 39 ASP CA C 39 52.907 57.290 -4.383 1
1 243 . 13 1 1 A 39 39 ASP CB C 39 41.519 38.003 3.516 1
1 244 . 13 1 1 A 39 39 ASP N N 39 114.785 115.119 -0.334 1
1 245 . 13 1 1 A 40 40 LYS H H 40 8.386 7.621 0.765 1
1 246 . 13 1 1 A 40 40 LYS HA H 40 3.604 4.786 -1.182 1
1 255 . 13 1 1 A 40 40 LYS CA C 40 54.835 54.094 0.741 1
1 256 . 13 1 1 A 40 40 LYS CB C 40 29.039 28.323 0.716 1
1 260 . 13 1 1 A 40 40 LYS N N 40 119.226 121.284 -2.058 1
1 261 . 13 1 1 A 41 41 ASP H H 41 7.523 8.313 -0.790 1
1 262 . 13 1 1 A 41 41 ASP HA H 41 4.376 4.373 0.003 1
1 265 . 13 1 1 A 41 41 ASP CA C 41 54.330 62.744 -8.414 1
1 266 . 13 1 1 A 41 41 ASP CB C 41 42.108 71.517 -29.409 1
1 267 . 13 1 1 A 41 41 ASP N N 41 119.226 116.751 2.475 1
1 268 . 13 1 1 A 42 42 ALA H H 42 9.017 7.775 1.242 1
1 269 . 13 1 1 A 42 42 ALA HA H 42 3.860 4.048 -0.188 1
1 273 . 13 1 1 A 42 42 ALA CA C 42 55.680 60.506 -4.826 1
1 274 . 13 1 1 A 42 42 ALA CB C 42 19.315 37.651 -18.336 1
1 275 . 13 1 1 A 42 42 ALA N N 42 130.822 123.028 7.794 1
1 277 . 13 1 1 A 43 43 ASN HA H 43 4.386 4.222 0.164 1
1 280 . 13 1 1 A 43 43 ASN CA C 43 56.511 63.315 -6.804 1
1 281 . 13 1 1 A 43 43 ASN CB C 43 38.255 30.955 7.300 1
1 282 . 13 1 1 A 43 43 ASN N N 43 114.785 138.329 -23.544 1
1 283 . 13 1 1 A 44 44 VAL H H 44 7.510 7.267 0.243 1
1 284 . 13 1 1 A 44 44 VAL HA H 44 3.601 4.695 -1.094 1
1 292 . 13 1 1 A 44 44 VAL CA C 44 66.228 57.215 9.013 1
1 293 . 13 1 1 A 44 44 VAL CB C 44 33.117 39.428 -6.311 1
1 296 . 13 1 1 A 44 44 VAL N N 44 123.173 115.540 7.633 1
1 297 . 13 1 1 A 45 45 ILE H H 45 8.084 8.444 -0.360 1
1 308 . 13 1 1 A 45 45 ILE CA C 45 65.113 46.876 18.237 1
1 313 . 13 1 1 A 45 45 ILE N N 45 120.213 108.937 11.276 1
1 314 . 13 1 1 A 46 46 LYS H H 46 8.393 8.210 0.183 1
1 315 . 13 1 1 A 46 46 LYS HA H 46 3.809 4.036 -0.227 1
1 320 . 13 1 1 A 46 46 LYS CA C 46 62.030 65.351 -3.321 1
1 321 . 13 1 1 A 46 46 LYS CB C 46 32.915 68.217 -35.302 1
1 324 . 13 1 1 A 46 46 LYS N N 46 118.239 116.086 2.153 1
1 325 . 13 1 1 A 47 47 LYS H H 47 7.469 7.959 -0.490 1
1 326 . 13 1 1 A 47 47 LYS HA H 47 4.128 4.100 0.028 1
1 332 . 13 1 1 A 47 47 LYS CA C 47 59.824 59.354 0.470 1
1 333 . 13 1 1 A 47 47 LYS CB C 47 32.656 30.026 2.630 1
1 337 . 13 1 1 A 47 47 LYS N N 47 119.719 122.607 -2.888 1
1 338 . 13 1 1 A 48 48 ASP H H 48 8.697 8.461 0.236 1
1 339 . 13 1 1 A 48 48 ASP HA H 48 4.483 4.008 0.475 1
1 342 . 13 1 1 A 48 48 ASP CA C 48 57.054 59.325 -2.271 1
1 343 . 13 1 1 A 48 48 ASP CB C 48 40.422 29.189 11.233 1
1 344 . 13 1 1 A 48 48 ASP N N 48 122.433 119.247 3.186 1
1 345 . 13 1 1 A 49 49 PHE H H 49 9.328 8.209 1.119 1
1 346 . 13 1 1 A 49 49 PHE HA H 49 3.820 4.654 -0.834 1
1 351 . 13 1 1 A 49 49 PHE CA C 49 62.071 58.528 3.543 1
1 352 . 13 1 1 A 49 49 PHE CB C 49 39.041 42.042 -3.001 1
1 353 . 13 1 1 A 49 49 PHE N N 49 120.502 118.350 2.152 1
1 354 . 13 1 1 A 50 50 ASP H H 50 8.603 8.177 0.426 1
1 355 . 13 1 1 A 50 50 ASP HA H 50 3.855 4.542 -0.687 1
1 358 . 13 1 1 A 50 50 ASP CA C 50 57.655 56.575 1.080 1
1 359 . 13 1 1 A 50 50 ASP CB C 50 41.246 40.902 0.344 1
1 360 . 13 1 1 A 50 50 ASP N N 50 120.706 121.752 -1.046 1
1 361 . 13 1 1 A 51 51 ALA H H 51 7.510 7.640 -0.130 1
1 362 . 13 1 1 A 51 51 ALA HA H 51 3.982 4.669 -0.687 1
1 366 . 13 1 1 A 51 51 ALA CA C 51 56.311 55.930 0.381 1
1 367 . 13 1 1 A 51 51 ALA CB C 51 18.201 30.143 -11.942 1
1 368 . 13 1 1 A 51 51 ALA N N 51 117.499 115.439 2.060 1
1 369 . 13 1 1 A 52 52 GLU H H 52 7.604 9.162 -1.558 1
1 370 . 13 1 1 A 52 52 GLU HA H 52 3.941 4.386 -0.445 1
1 374 . 13 1 1 A 52 52 GLU CA C 52 59.294 60.919 -1.625 1
1 375 . 13 1 1 A 52 52 GLU CB C 52 29.581 38.874 -9.293 1
1 377 . 13 1 1 A 52 52 GLU N N 52 118.979 120.829 -1.850 1
1 378 . 13 1 1 A 53 53 CYS H H 53 9.106 8.253 0.853 1
1 379 . 13 1 1 A 53 53 CYS HA H 53 3.502 3.685 -0.183 1
1 382 . 13 1 1 A 53 53 CYS CA C 53 60.943 65.433 -4.490 1
1 383 . 13 1 1 A 53 53 CYS CB C 53 37.388 31.347 6.041 1
1 384 . 13 1 1 A 53 53 CYS N N 53 120.292 118.661 1.631 1
1 385 . 13 1 1 A 54 54 LYS H H 54 7.888 7.810 0.078 1
1 386 . 13 1 1 A 54 54 LYS HA H 54 3.634 4.771 -1.137 1
1 394 . 13 1 1 A 54 54 LYS CA C 54 60.379 53.027 7.352 1
1 395 . 13 1 1 A 54 54 LYS CB C 54 32.093 39.417 -7.324 1
1 399 . 13 1 1 A 54 54 LYS N N 54 117.499 118.696 -1.197 1
1 400 . 13 1 1 A 55 55 LYS H H 55 7.300 8.356 -1.056 1
1 401 . 13 1 1 A 55 55 LYS HA H 55 4.028 4.700 -0.672 1
1 408 . 13 1 1 A 55 55 LYS CA C 55 59.571 57.743 1.828 1
1 409 . 13 1 1 A 55 55 LYS CB C 55 32.647 65.197 -32.550 1
1 412 . 13 1 1 A 55 55 LYS N N 55 120.213 114.119 6.094 1
1 413 . 13 1 1 A 56 56 LEU H H 56 8.074 8.486 -0.412 1
1 414 . 13 1 1 A 56 56 LEU HA H 56 3.848 3.762 0.086 1
1 424 . 13 1 1 A 56 56 LEU CA C 56 57.354 57.680 -0.326 1
1 425 . 13 1 1 A 56 56 LEU CB C 56 41.816 29.900 11.916 1
1 429 . 13 1 1 A 56 56 LEU N N 56 119.719 125.112 -5.393 1
1 430 . 13 1 1 A 57 57 PHE H H 57 8.054 7.543 0.511 1
1 431 . 13 1 1 A 57 57 PHE HA H 57 4.983 3.755 1.228 1
1 436 . 13 1 1 A 57 57 PHE CA C 57 56.470 63.692 -7.222 1
1 437 . 13 1 1 A 57 57 PHE CB C 57 37.916 31.964 5.952 1
1 438 . 13 1 1 A 57 57 PHE N N 57 113.798 118.361 -4.563 1
1 439 . 13 1 1 A 58 58 HIS H H 58 7.523 8.086 -0.563 1
1 440 . 13 1 1 A 58 58 HIS HA H 58 4.448 4.310 0.138 1
1 443 . 13 1 1 A 58 58 HIS CA C 58 59.037 59.137 -0.100 1
1 444 . 13 1 1 A 58 58 HIS CB C 58 27.942 40.006 -12.064 1
1 445 . 13 1 1 A 58 58 HIS N N 58 116.758 122.018 -5.260 1
1 447 . 13 1 1 A 59 59 THR HA H 59 4.085 4.422 -0.337 1
1 452 . 13 1 1 A 59 59 THR CA C 59 62.033 65.371 -3.338 1
1 453 . 13 1 1 A 59 59 THR CB C 59 68.425 30.331 38.094 1
1 455 . 13 1 1 A 59 59 THR N N 59 108.123 134.659 -26.536 1
1 456 . 13 1 1 A 60 60 ILE H H 60 7.540 7.419 0.121 1
1 457 . 13 1 1 A 60 60 ILE HA H 60 4.444 3.584 0.860 1
1 467 . 13 1 1 A 60 60 ILE CA C 60 58.167 64.400 -6.233 1
1 468 . 13 1 1 A 60 60 ILE CB C 60 38.745 37.718 1.027 1
1 472 . 13 1 1 A 60 60 ILE N N 60 124.900 115.854 9.046 1
1 473 . 13 1 1 A 61 61 PRO HA H 61 4.105 4.002 0.103 1
1 480 . 13 1 1 A 61 61 PRO CA C 61 64.800 64.154 0.646 1
1 481 . 13 1 1 A 61 61 PRO CB C 61 31.271 36.732 -5.461 1
1 484 . 13 1 1 A 62 62 PHE HA H 62 4.560 4.494 0.066 1
1 487 . 13 1 1 A 62 62 PHE CA C 62 58.476 57.942 0.534 1
1 488 . 13 1 1 A 62 62 PHE CB C 62 37.121 28.211 8.910 1
1 489 . 13 1 1 A 63 63 GLY H H 63 8.543 8.176 0.367 1
1 492 . 13 1 1 A 63 63 GLY CA C 63 47.897 59.008 -11.111 1
1 493 . 13 1 1 A 63 63 GLY N N 63 110.590 122.326 -11.736 1
1 494 . 13 1 1 A 64 64 THR H H 64 8.513 8.056 0.457 1
1 495 . 13 1 1 A 64 64 THR HA H 64 4.206 4.452 -0.246 1
1 500 . 13 1 1 A 64 64 THR CA C 64 67.646 57.481 10.165 1
1 501 . 13 1 1 A 64 64 THR CB C 64 67.349 40.987 26.362 1
1 503 . 13 1 1 A 64 64 THR N N 64 114.538 120.023 -5.485 1
1 504 . 13 1 1 A 65 65 ARG H H 65 7.519 8.456 -0.937 1
1 505 . 13 1 1 A 65 65 ARG HA H 65 4.177 4.170 0.007 1
1 512 . 13 1 1 A 65 65 ARG CA C 65 55.799 59.582 -3.783 1
1 513 . 13 1 1 A 65 65 ARG CB C 65 30.146 29.280 0.866 1
1 516 . 13 1 1 A 65 65 ARG N N 65 121.940 120.056 1.884 1
1 517 . 13 1 1 A 66 66 GLU H H 66 8.453 7.822 0.631 1
1 523 . 13 1 1 A 66 66 GLU CA C 66 58.981 46.771 12.210 1
1 526 . 13 1 1 A 66 66 GLU N N 66 120.459 108.670 11.789 1
1 527 . 13 1 1 A 67 67 CYS H H 67 8.467 7.800 0.667 1
1 531 . 13 1 1 A 67 67 CYS CA C 67 59.277 45.056 14.221 1
1 533 . 13 1 1 A 67 67 CYS N N 67 121.446 106.374 15.072 1
1 534 . 13 1 1 A 68 68 ASP H H 68 8.002 8.076 -0.074 1
1 535 . 13 1 1 A 68 68 ASP HA H 68 4.514 4.598 -0.084 1
1 538 . 13 1 1 A 68 68 ASP CA C 68 57.902 61.093 -3.191 1
1 539 . 13 1 1 A 68 68 ASP CB C 68 40.393 70.919 -30.526 1
1 540 . 13 1 1 A 68 68 ASP N N 68 120.459 114.948 5.511 1
1 541 . 13 1 1 A 69 69 HIS H H 69 8.564 8.611 -0.047 1
1 542 . 13 1 1 A 69 69 HIS HA H 69 4.510 4.428 0.082 1
1 545 . 13 1 1 A 69 69 HIS CA C 69 58.127 51.026 7.101 1
1 546 . 13 1 1 A 69 69 HIS CB C 69 28.480 18.321 10.159 1
1 547 . 13 1 1 A 69 69 HIS N N 69 119.246 129.753 -10.507 1
1 549 . 13 1 1 A 70 70 TYR HA H 70 3.706 4.562 -0.856 1
1 553 . 13 1 1 A 70 70 TYR CA C 70 63.989 64.347 -0.358 1
1 554 . 13 1 1 A 70 70 TYR CB C 70 40.145 31.875 8.270 1
1 555 . 13 1 1 A 70 70 TYR N N 70 125.887 134.905 -9.018 1
1 556 . 13 1 1 A 71 71 VAL H H 71 8.295 8.788 -0.493 1
1 557 . 13 1 1 A 71 71 VAL HA H 71 3.554 4.296 -0.742 1
1 565 . 13 1 1 A 71 71 VAL CA C 71 67.021 56.740 10.281 1
1 566 . 13 1 1 A 71 71 VAL CB C 71 32.084 32.412 -0.328 1
1 569 . 13 1 1 A 71 71 VAL N N 71 118.239 115.650 2.589 1
1 570 . 13 1 1 A 72 72 ASN H H 72 7.511 7.841 -0.330 1
1 571 . 13 1 1 A 72 72 ASN HA H 72 4.558 4.796 -0.238 1
1 574 . 13 1 1 A 72 72 ASN CA C 72 55.116 55.093 0.023 1
1 575 . 13 1 1 A 72 72 ASN CB C 72 39.569 42.168 -2.599 1
1 576 . 13 1 1 A 72 72 ASN N N 72 116.018 118.723 -2.705 1
1 577 . 13 1 1 A 73 73 SER H H 73 7.709 7.570 0.139 1
1 578 . 13 1 1 A 73 73 SER HA H 73 4.633 3.463 1.170 1
1 581 . 13 1 1 A 73 73 SER CA C 73 59.832 66.893 -7.061 1
1 582 . 13 1 1 A 73 73 SER CB C 73 65.899 31.422 34.477 1
1 583 . 13 1 1 A 73 73 SER N N 73 110.837 119.800 -8.963 1
1 584 . 13 1 1 A 74 74 LYS H H 74 7.942 7.944 -0.002 1
1 585 . 13 1 1 A 74 74 LYS HA H 74 4.280 4.778 -0.498 1
1 593 . 13 1 1 A 74 74 LYS CA C 74 55.124 55.773 -0.649 1
1 594 . 13 1 1 A 74 74 LYS CB C 74 33.198 40.658 -7.460 1
1 598 . 13 1 1 A 74 74 LYS N N 74 120.706 115.481 5.225 1
1 599 . 13 1 1 A 75 75 VAL H H 75 7.227 8.618 -1.391 1
1 600 . 13 1 1 A 75 75 VAL HA H 75 3.315 4.757 -1.442 1
1 608 . 13 1 1 A 75 75 VAL CA C 75 67.599 63.453 4.146 1
1 609 . 13 1 1 A 75 75 VAL CB C 75 31.540 70.746 -39.206 1
1 612 . 13 1 1 A 75 75 VAL N N 75 120.147 116.281 3.866 1
1 613 . 13 1 1 A 76 76 ASP H H 76 8.851 7.797 1.054 1
1 614 . 13 1 1 A 76 76 ASP HA H 76 4.402 4.081 0.321 1
1 617 . 13 1 1 A 76 76 ASP CA C 76 59.568 58.883 0.685 1
1 618 . 13 1 1 A 76 76 ASP CB C 76 37.667 31.632 6.035 1
1 619 . 13 1 1 A 76 76 ASP N N 76 117.992 121.811 -3.819 1
1 620 . 13 1 1 A 77 77 PRO HA H 77 4.158 4.225 -0.067 1
1 626 . 13 1 1 A 77 77 PRO CA C 77 66.237 55.142 11.095 1
1 627 . 13 1 1 A 77 77 PRO CB C 77 31.347 42.228 -10.881 1
1 630 . 13 1 1 A 78 78 ILE H H 78 7.243 7.856 -0.613 1
1 631 . 13 1 1 A 78 78 ILE HA H 78 3.315 4.470 -1.155 1
1 641 . 13 1 1 A 78 78 ILE CA C 78 65.957 54.651 11.306 1
1 642 . 13 1 1 A 78 78 ILE CB C 78 38.787 37.588 1.199 1
1 646 . 13 1 1 A 78 78 ILE N N 78 119.472 115.410 4.062 1
1 647 . 13 1 1 A 79 79 ILE H H 79 8.180 8.534 -0.354 1
1 648 . 13 1 1 A 79 79 ILE HA H 79 3.218 4.296 -1.078 1
1 658 . 13 1 1 A 79 79 ILE CA C 79 65.939 56.593 9.346 1
1 659 . 13 1 1 A 79 79 ILE CB C 79 37.344 29.826 7.518 1
1 663 . 13 1 1 A 79 79 ILE N N 79 119.472 114.419 5.053 1
1 664 . 13 1 1 A 80 80 HIS H H 80 8.671 7.654 1.017 1
1 665 . 13 1 1 A 80 80 HIS HA H 80 4.351 4.968 -0.617 1
1 670 . 13 1 1 A 80 80 HIS CA C 80 58.731 53.690 5.041 1
1 671 . 13 1 1 A 80 80 HIS CB C 80 27.913 45.581 -17.668 1
1 672 . 13 1 1 A 80 80 HIS N N 80 117.252 118.576 -1.324 1
1 1 . 14 1 1 A 12 12 SER H H 12 8.509 8.216 0.293 1
1 2 . 14 1 1 A 12 12 SER HA H 12 4.430 4.040 0.390 1
1 4 . 14 1 1 A 12 12 SER N N 12 118.485 116.594 1.891 1
1 5 . 14 1 1 A 13 13 GLY H H 13 8.404 8.006 0.398 1
1 7 . 14 1 1 A 13 13 GLY N N 13 111.084 119.088 -8.004 1
1 8 . 14 1 1 A 14 14 ILE H H 14 8.006 8.269 -0.263 1
1 9 . 14 1 1 A 14 14 ILE HA H 14 4.086 4.037 0.049 1
1 14 . 14 1 1 A 14 14 ILE N N 14 119.966 122.423 -2.457 1
1 15 . 14 1 1 A 15 15 GLU H H 15 8.528 7.601 0.927 1
1 16 . 14 1 1 A 15 15 GLU HA H 15 4.197 4.146 0.051 1
1 19 . 14 1 1 A 15 15 GLU N N 15 124.654 118.920 5.734 1
1 20 . 14 1 1 A 16 16 GLY H H 16 8.343 8.696 -0.353 1
1 22 . 14 1 1 A 16 16 GLY N N 16 110.097 121.431 -11.334 1
1 23 . 14 1 1 A 17 17 ARG H H 17 8.143 8.782 -0.639 1
1 24 . 14 1 1 A 17 17 ARG HA H 17 4.319 3.721 0.598 1
1 28 . 14 1 1 A 17 17 ARG N N 17 120.459 118.773 1.686 1
1 29 . 14 1 1 A 18 18 GLY H H 18 8.477 8.039 0.438 1
1 30 . 14 1 1 A 18 18 GLY HA2 H 18 3.894 4.207 -0.313 1
1 31 . 14 1 1 A 18 18 GLY N N 18 110.097 107.687 2.410 1
1 32 . 14 1 1 A 19 19 ARG H H 19 8.105 8.196 -0.091 1
1 33 . 14 1 1 A 19 19 ARG HA H 19 4.283 4.667 -0.384 1
1 38 . 14 1 1 A 19 19 ARG CA C 19 56.218 60.358 -4.140 1
1 39 . 14 1 1 A 19 19 ARG CB C 19 30.987 64.133 -33.146 1
1 42 . 14 1 1 A 19 19 ARG N N 19 120.706 114.644 6.062 1
1 43 . 14 1 1 A 20 20 SER H H 20 8.553 7.982 0.571 1
1 44 . 14 1 1 A 20 20 SER HA H 20 4.432 4.199 0.233 1
1 47 . 14 1 1 A 20 20 SER CA C 20 58.189 54.597 3.592 1
1 48 . 14 1 1 A 20 20 SER CB C 20 63.967 17.794 46.173 1
1 49 . 14 1 1 A 20 20 SER N N 20 117.992 120.207 -2.215 1
1 50 . 14 1 1 A 21 21 ALA H H 21 8.233 7.962 0.271 1
1 51 . 14 1 1 A 21 21 ALA HA H 21 4.167 4.846 -0.679 1
1 55 . 14 1 1 A 21 21 ALA CA C 21 53.662 53.161 0.501 1
1 56 . 14 1 1 A 21 21 ALA CB C 21 18.745 41.652 -22.907 1
1 57 . 14 1 1 A 21 21 ALA N N 21 126.792 117.270 9.522 1
1 58 . 14 1 1 A 22 22 LEU H H 22 8.402 7.920 0.482 1
1 59 . 14 1 1 A 22 22 LEU HA H 22 4.036 3.945 0.091 1
1 66 . 14 1 1 A 22 22 LEU CA C 22 55.382 57.229 -1.847 1
1 67 . 14 1 1 A 22 22 LEU CB C 22 42.077 30.520 11.557 1
1 70 . 14 1 1 A 22 22 LEU N N 22 121.062 117.448 3.614 1
1 71 . 14 1 1 A 23 23 SER H H 23 8.155 8.052 0.103 1
1 72 . 14 1 1 A 23 23 SER HA H 23 3.913 4.768 -0.855 1
1 75 . 14 1 1 A 23 23 SER CA C 23 63.166 53.771 9.395 1
1 76 . 14 1 1 A 23 23 SER CB C 23 62.894 42.122 20.772 1
1 77 . 14 1 1 A 23 23 SER N N 23 114.448 119.054 -4.606 1
1 78 . 14 1 1 A 24 24 CYS H H 24 7.630 8.912 -1.282 1
1 79 . 14 1 1 A 24 24 CYS HA H 24 4.389 3.848 0.541 1
1 82 . 14 1 1 A 24 24 CYS CB C 24 37.631 18.279 19.352 1
1 83 . 14 1 1 A 24 24 CYS N N 24 120.980 128.256 -7.276 1
1 84 . 14 1 1 A 25 25 GLN H H 25 8.056 7.959 0.097 1
1 85 . 14 1 1 A 25 25 GLN HA H 25 4.031 4.459 -0.428 1
1 91 . 14 1 1 A 25 25 GLN CA C 25 59.555 55.925 3.630 1
1 92 . 14 1 1 A 25 25 GLN CB C 25 30.148 38.671 -8.523 1
1 94 . 14 1 1 A 25 25 GLN N N 25 118.033 116.618 1.415 1
1 96 . 14 1 1 A 26 26 MET H H 26 8.246 7.758 0.488 1
1 97 . 14 1 1 A 26 26 MET HA H 26 3.889 4.084 -0.195 1
1 105 . 14 1 1 A 26 26 MET CA C 26 61.790 63.893 -2.103 1
1 106 . 14 1 1 A 26 26 MET CB C 26 35.426 31.824 3.602 1
1 109 . 14 1 1 A 26 26 MET N N 26 118.732 118.595 0.137 1
1 110 . 14 1 1 A 27 27 CYS H H 27 8.415 7.428 0.987 1
1 111 . 14 1 1 A 27 27 CYS HA H 27 4.100 4.007 0.093 1
1 114 . 14 1 1 A 27 27 CYS CA C 27 61.807 63.661 -1.854 1
1 115 . 14 1 1 A 27 27 CYS CB C 27 42.874 38.123 4.751 1
1 116 . 14 1 1 A 27 27 CYS N N 27 121.237 120.834 0.403 1
1 117 . 14 1 1 A 28 28 GLU H H 28 8.581 8.076 0.505 1
1 118 . 14 1 1 A 28 28 GLU HA H 28 3.974 4.003 -0.029 1
1 123 . 14 1 1 A 28 28 GLU CA C 28 59.558 58.835 0.723 1
1 125 . 14 1 1 A 28 28 GLU N N 28 118.019 121.822 -3.803 1
1 126 . 14 1 1 A 29 29 LEU H H 29 7.881 7.635 0.246 1
1 127 . 14 1 1 A 29 29 LEU HA H 29 4.346 4.139 0.207 1
1 137 . 14 1 1 A 29 29 LEU CA C 29 57.877 59.566 -1.689 1
1 138 . 14 1 1 A 29 29 LEU CB C 29 42.067 32.454 9.613 1
1 142 . 14 1 1 A 29 29 LEU N N 29 122.680 119.057 3.623 1
1 143 . 14 1 1 A 30 30 VAL H H 30 8.251 8.357 -0.106 1
1 144 . 14 1 1 A 30 30 VAL HA H 30 3.315 4.327 -1.012 1
1 152 . 14 1 1 A 30 30 VAL CA C 30 64.085 57.375 6.710 1
1 153 . 14 1 1 A 30 30 VAL CB C 30 32.374 40.690 -8.316 1
1 156 . 14 1 1 A 30 30 VAL N N 30 120.953 120.175 0.778 1
1 157 . 14 1 1 A 31 31 VAL H H 31 8.071 8.488 -0.417 1
1 158 . 14 1 1 A 31 31 VAL HA H 31 3.340 4.071 -0.731 1
1 166 . 14 1 1 A 31 31 VAL CA C 31 67.602 61.716 5.886 1
1 167 . 14 1 1 A 31 31 VAL CB C 31 31.803 39.562 -7.759 1
1 170 . 14 1 1 A 31 31 VAL N N 31 118.979 121.187 -2.208 1
1 171 . 14 1 1 A 32 32 LYS H H 32 8.088 8.561 -0.473 1
1 172 . 14 1 1 A 32 32 LYS HA H 32 4.096 4.629 -0.533 1
1 178 . 14 1 1 A 32 32 LYS CA C 32 59.838 57.649 2.189 1
1 179 . 14 1 1 A 32 32 LYS CB C 32 32.651 41.586 -8.935 1
1 183 . 14 1 1 A 32 32 LYS N N 32 119.226 119.150 0.076 1
1 184 . 14 1 1 A 33 33 LYS H H 33 8.460 8.340 0.120 1
1 185 . 14 1 1 A 33 33 LYS HA H 33 4.176 3.987 0.189 1
1 194 . 14 1 1 A 33 33 LYS CA C 33 57.066 55.423 1.643 1
1 195 . 14 1 1 A 33 33 LYS CB C 33 31.540 18.928 12.612 1
1 199 . 14 1 1 A 33 33 LYS N N 33 118.868 121.762 -2.894 1
1 200 . 14 1 1 A 34 34 TYR H H 34 8.966 8.234 0.732 1
1 201 . 14 1 1 A 34 34 TYR HA H 34 3.935 3.863 0.072 1
1 205 . 14 1 1 A 34 34 TYR CA C 34 62.301 59.310 2.991 1
1 206 . 14 1 1 A 34 34 TYR CB C 34 39.007 28.910 10.097 1
1 207 . 14 1 1 A 34 34 TYR N N 34 121.940 117.656 4.284 1
1 208 . 14 1 1 A 35 35 GLU H H 35 8.980 7.874 1.106 1
1 209 . 14 1 1 A 35 35 GLU HA H 35 3.898 4.210 -0.312 1
1 214 . 14 1 1 A 35 35 GLU CA C 35 58.979 59.716 -0.737 1
1 215 . 14 1 1 A 35 35 GLU CB C 35 29.876 41.145 -11.269 1
1 217 . 14 1 1 A 35 35 GLU N N 35 118.239 118.289 -0.050 1
1 218 . 14 1 1 A 36 36 GLY H H 36 7.696 8.271 -0.575 1
1 221 . 14 1 1 A 36 36 GLY CA C 36 45.055 58.628 -13.573 1
1 222 . 14 1 1 A 36 36 GLY N N 36 103.730 120.111 -16.381 1
1 223 . 14 1 1 A 37 37 SER H H 37 6.977 8.000 -1.023 1
1 224 . 14 1 1 A 37 37 SER HA H 37 4.364 4.255 0.109 1
1 227 . 14 1 1 A 37 37 SER CA C 37 57.087 57.744 -0.657 1
1 228 . 14 1 1 A 37 37 SER CB C 37 63.450 33.029 30.421 1
1 229 . 14 1 1 A 37 37 SER N N 37 115.525 118.018 -2.493 1
1 230 . 14 1 1 A 38 38 ALA H H 38 8.918 8.662 0.256 1
1 231 . 14 1 1 A 38 38 ALA HA H 38 4.153 3.930 0.223 1
1 235 . 14 1 1 A 38 38 ALA CA C 38 54.285 57.844 -3.559 1
1 236 . 14 1 1 A 38 38 ALA CB C 38 18.784 41.246 -22.462 1
1 237 . 14 1 1 A 38 38 ALA N N 38 131.315 116.638 14.677 1
1 238 . 14 1 1 A 39 39 ASP H H 39 7.712 7.963 -0.251 1
1 239 . 14 1 1 A 39 39 ASP HA H 39 4.578 4.610 -0.032 1
1 242 . 14 1 1 A 39 39 ASP CA C 39 52.907 57.641 -4.734 1
1 243 . 14 1 1 A 39 39 ASP CB C 39 41.519 38.012 3.507 1
1 244 . 14 1 1 A 39 39 ASP N N 39 114.785 117.886 -3.101 1
1 245 . 14 1 1 A 40 40 LYS H H 40 8.386 7.582 0.804 1
1 246 . 14 1 1 A 40 40 LYS HA H 40 3.604 4.225 -0.621 1
1 255 . 14 1 1 A 40 40 LYS CA C 40 54.835 59.152 -4.317 1
1 256 . 14 1 1 A 40 40 LYS CB C 40 29.039 30.083 -1.044 1
1 260 . 14 1 1 A 40 40 LYS N N 40 119.226 119.626 -0.400 1
1 261 . 14 1 1 A 41 41 ASP H H 41 7.523 8.086 -0.563 1
1 262 . 14 1 1 A 41 41 ASP HA H 41 4.376 4.067 0.309 1
1 265 . 14 1 1 A 41 41 ASP CA C 41 54.330 65.022 -10.692 1
1 266 . 14 1 1 A 41 41 ASP CB C 41 42.108 68.805 -26.697 1
1 267 . 14 1 1 A 41 41 ASP N N 41 119.226 110.550 8.676 1
1 268 . 14 1 1 A 42 42 ALA H H 42 9.017 7.626 1.391 1
1 269 . 14 1 1 A 42 42 ALA HA H 42 3.860 4.233 -0.373 1
1 273 . 14 1 1 A 42 42 ALA CA C 42 55.680 60.252 -4.572 1
1 274 . 14 1 1 A 42 42 ALA CB C 42 19.315 37.726 -18.411 1
1 275 . 14 1 1 A 42 42 ALA N N 42 130.822 125.602 5.220 1
1 277 . 14 1 1 A 43 43 ASN HA H 43 4.386 4.165 0.221 1
1 280 . 14 1 1 A 43 43 ASN CA C 43 56.511 63.556 -7.045 1
1 281 . 14 1 1 A 43 43 ASN CB C 43 38.255 31.084 7.171 1
1 282 . 14 1 1 A 43 43 ASN N N 43 114.785 139.398 -24.613 1
1 283 . 14 1 1 A 44 44 VAL H H 44 7.510 7.834 -0.324 1
1 284 . 14 1 1 A 44 44 VAL HA H 44 3.601 4.860 -1.259 1
1 292 . 14 1 1 A 44 44 VAL CA C 44 66.228 57.291 8.937 1
1 293 . 14 1 1 A 44 44 VAL CB C 44 33.117 40.126 -7.009 1
1 296 . 14 1 1 A 44 44 VAL N N 44 123.173 116.375 6.798 1
1 297 . 14 1 1 A 45 45 ILE H H 45 8.084 8.451 -0.367 1
1 308 . 14 1 1 A 45 45 ILE CA C 45 65.113 47.462 17.651 1
1 313 . 14 1 1 A 45 45 ILE N N 45 120.213 109.095 11.118 1
1 314 . 14 1 1 A 46 46 LYS H H 46 8.393 8.190 0.203 1
1 315 . 14 1 1 A 46 46 LYS HA H 46 3.809 4.150 -0.341 1
1 320 . 14 1 1 A 46 46 LYS CA C 46 62.030 65.642 -3.612 1
1 321 . 14 1 1 A 46 46 LYS CB C 46 32.915 68.293 -35.378 1
1 324 . 14 1 1 A 46 46 LYS N N 46 118.239 116.335 1.904 1
1 325 . 14 1 1 A 47 47 LYS H H 47 7.469 8.089 -0.620 1
1 326 . 14 1 1 A 47 47 LYS HA H 47 4.128 4.037 0.091 1
1 332 . 14 1 1 A 47 47 LYS CA C 47 59.824 59.782 0.042 1
1 333 . 14 1 1 A 47 47 LYS CB C 47 32.656 30.114 2.542 1
1 337 . 14 1 1 A 47 47 LYS N N 47 119.719 121.883 -2.164 1
1 338 . 14 1 1 A 48 48 ASP H H 48 8.697 8.292 0.405 1
1 339 . 14 1 1 A 48 48 ASP HA H 48 4.483 4.273 0.210 1
1 342 . 14 1 1 A 48 48 ASP CA C 48 57.054 58.966 -1.912 1
1 343 . 14 1 1 A 48 48 ASP CB C 48 40.422 28.440 11.982 1
1 344 . 14 1 1 A 48 48 ASP N N 48 122.433 118.337 4.096 1
1 345 . 14 1 1 A 49 49 PHE H H 49 9.328 8.563 0.765 1
1 346 . 14 1 1 A 49 49 PHE HA H 49 3.820 4.576 -0.756 1
1 351 . 14 1 1 A 49 49 PHE CA C 49 62.071 59.901 2.170 1
1 352 . 14 1 1 A 49 49 PHE CB C 49 39.041 41.601 -2.560 1
1 353 . 14 1 1 A 49 49 PHE N N 49 120.502 119.032 1.470 1
1 354 . 14 1 1 A 50 50 ASP H H 50 8.603 8.031 0.572 1
1 355 . 14 1 1 A 50 50 ASP HA H 50 3.855 4.578 -0.723 1
1 358 . 14 1 1 A 50 50 ASP CA C 50 57.655 56.120 1.535 1
1 359 . 14 1 1 A 50 50 ASP CB C 50 41.246 40.807 0.439 1
1 360 . 14 1 1 A 50 50 ASP N N 50 120.706 122.195 -1.489 1
1 361 . 14 1 1 A 51 51 ALA H H 51 7.510 7.686 -0.176 1
1 362 . 14 1 1 A 51 51 ALA HA H 51 3.982 4.474 -0.492 1
1 366 . 14 1 1 A 51 51 ALA CA C 51 56.311 57.542 -1.231 1
1 367 . 14 1 1 A 51 51 ALA CB C 51 18.201 29.737 -11.536 1
1 368 . 14 1 1 A 51 51 ALA N N 51 117.499 119.277 -1.778 1
1 369 . 14 1 1 A 52 52 GLU H H 52 7.604 8.212 -0.608 1
1 370 . 14 1 1 A 52 52 GLU HA H 52 3.941 4.525 -0.584 1
1 374 . 14 1 1 A 52 52 GLU CA C 52 59.294 60.192 -0.898 1
1 375 . 14 1 1 A 52 52 GLU CB C 52 29.581 39.953 -10.372 1
1 377 . 14 1 1 A 52 52 GLU N N 52 118.979 120.008 -1.029 1
1 378 . 14 1 1 A 53 53 CYS H H 53 9.106 7.473 1.633 1
1 379 . 14 1 1 A 53 53 CYS HA H 53 3.502 3.925 -0.423 1
1 382 . 14 1 1 A 53 53 CYS CA C 53 60.943 60.862 0.081 1
1 383 . 14 1 1 A 53 53 CYS CB C 53 37.388 31.053 6.335 1
1 384 . 14 1 1 A 53 53 CYS N N 53 120.292 112.882 7.410 1
1 385 . 14 1 1 A 54 54 LYS H H 54 7.888 7.856 0.032 1
1 386 . 14 1 1 A 54 54 LYS HA H 54 3.634 4.899 -1.265 1
1 394 . 14 1 1 A 54 54 LYS CA C 54 60.379 52.608 7.771 1
1 395 . 14 1 1 A 54 54 LYS CB C 54 32.093 38.770 -6.677 1
1 399 . 14 1 1 A 54 54 LYS N N 54 117.499 120.365 -2.866 1
1 400 . 14 1 1 A 55 55 LYS H H 55 7.300 7.913 -0.613 1
1 401 . 14 1 1 A 55 55 LYS HA H 55 4.028 4.481 -0.453 1
1 408 . 14 1 1 A 55 55 LYS CA C 55 59.571 58.494 1.077 1
1 409 . 14 1 1 A 55 55 LYS CB C 55 32.647 65.801 -33.154 1
1 412 . 14 1 1 A 55 55 LYS N N 55 120.213 113.106 7.107 1
1 413 . 14 1 1 A 56 56 LEU H H 56 8.074 8.014 0.060 1
1 414 . 14 1 1 A 56 56 LEU HA H 56 3.848 4.236 -0.388 1
1 424 . 14 1 1 A 56 56 LEU CA C 56 57.354 55.423 1.931 1
1 425 . 14 1 1 A 56 56 LEU CB C 56 41.816 32.835 8.981 1
1 429 . 14 1 1 A 56 56 LEU N N 56 119.719 117.671 2.048 1
1 430 . 14 1 1 A 57 57 PHE H H 57 8.054 7.220 0.834 1
1 431 . 14 1 1 A 57 57 PHE HA H 57 4.983 3.623 1.360 1
1 436 . 14 1 1 A 57 57 PHE CA C 57 56.470 65.017 -8.547 1
1 437 . 14 1 1 A 57 57 PHE CB C 57 37.916 31.721 6.195 1
1 438 . 14 1 1 A 57 57 PHE N N 57 113.798 118.191 -4.393 1
1 439 . 14 1 1 A 58 58 HIS H H 58 7.523 8.329 -0.806 1
1 440 . 14 1 1 A 58 58 HIS HA H 58 4.448 4.316 0.132 1
1 443 . 14 1 1 A 58 58 HIS CA C 58 59.037 59.205 -0.168 1
1 444 . 14 1 1 A 58 58 HIS CB C 58 27.942 38.401 -10.459 1
1 445 . 14 1 1 A 58 58 HIS N N 58 116.758 120.603 -3.845 1
1 447 . 14 1 1 A 59 59 THR HA H 59 4.085 4.713 -0.628 1
1 452 . 14 1 1 A 59 59 THR CA C 59 62.033 65.859 -3.826 1
1 453 . 14 1 1 A 59 59 THR CB C 59 68.425 30.733 37.692 1
1 455 . 14 1 1 A 59 59 THR N N 59 108.123 134.720 -26.597 1
1 456 . 14 1 1 A 60 60 ILE H H 60 7.540 7.476 0.064 1
1 457 . 14 1 1 A 60 60 ILE HA H 60 4.444 3.449 0.995 1
1 467 . 14 1 1 A 60 60 ILE CA C 60 58.167 64.629 -6.462 1
1 468 . 14 1 1 A 60 60 ILE CB C 60 38.745 37.667 1.078 1
1 472 . 14 1 1 A 60 60 ILE N N 60 124.900 116.359 8.541 1
1 473 . 14 1 1 A 61 61 PRO HA H 61 4.105 3.909 0.196 1
1 480 . 14 1 1 A 61 61 PRO CA C 61 64.800 64.787 0.013 1
1 481 . 14 1 1 A 61 61 PRO CB C 61 31.271 37.159 -5.888 1
1 484 . 14 1 1 A 62 62 PHE HA H 62 4.560 4.337 0.223 1
1 487 . 14 1 1 A 62 62 PHE CA C 62 58.476 58.777 -0.301 1
1 488 . 14 1 1 A 62 62 PHE CB C 62 37.121 28.545 8.576 1
1 489 . 14 1 1 A 63 63 GLY H H 63 8.543 8.068 0.475 1
1 492 . 14 1 1 A 63 63 GLY CA C 63 47.897 59.074 -11.177 1
1 493 . 14 1 1 A 63 63 GLY N N 63 110.590 121.678 -11.088 1
1 494 . 14 1 1 A 64 64 THR H H 64 8.513 8.113 0.400 1
1 495 . 14 1 1 A 64 64 THR HA H 64 4.206 4.159 0.047 1
1 500 . 14 1 1 A 64 64 THR CA C 64 67.646 58.022 9.624 1
1 501 . 14 1 1 A 64 64 THR CB C 64 67.349 41.568 25.781 1
1 503 . 14 1 1 A 64 64 THR N N 64 114.538 119.830 -5.292 1
1 504 . 14 1 1 A 65 65 ARG H H 65 7.519 8.666 -1.147 1
1 505 . 14 1 1 A 65 65 ARG HA H 65 4.177 4.212 -0.035 1
1 512 . 14 1 1 A 65 65 ARG CA C 65 55.799 59.412 -3.613 1
1 513 . 14 1 1 A 65 65 ARG CB C 65 30.146 29.414 0.732 1
1 516 . 14 1 1 A 65 65 ARG N N 65 121.940 119.386 2.554 1
1 517 . 14 1 1 A 66 66 GLU H H 66 8.453 7.994 0.459 1
1 523 . 14 1 1 A 66 66 GLU CA C 66 58.981 46.293 12.688 1
1 526 . 14 1 1 A 66 66 GLU N N 66 120.459 108.043 12.416 1
1 527 . 14 1 1 A 67 67 CYS H H 67 8.467 8.246 0.221 1
1 531 . 14 1 1 A 67 67 CYS CA C 67 59.277 45.252 14.025 1
1 533 . 14 1 1 A 67 67 CYS N N 67 121.446 106.613 14.833 1
1 534 . 14 1 1 A 68 68 ASP H H 68 8.002 7.545 0.457 1
1 535 . 14 1 1 A 68 68 ASP HA H 68 4.514 4.199 0.315 1
1 538 . 14 1 1 A 68 68 ASP CA C 68 57.902 62.863 -4.961 1
1 539 . 14 1 1 A 68 68 ASP CB C 68 40.393 69.542 -29.149 1
1 540 . 14 1 1 A 68 68 ASP N N 68 120.459 116.403 4.056 1
1 541 . 14 1 1 A 69 69 HIS H H 69 8.564 8.700 -0.136 1
1 542 . 14 1 1 A 69 69 HIS HA H 69 4.510 4.577 -0.067 1
1 545 . 14 1 1 A 69 69 HIS CA C 69 58.127 50.825 7.302 1
1 546 . 14 1 1 A 69 69 HIS CB C 69 28.480 18.674 9.806 1
1 547 . 14 1 1 A 69 69 HIS N N 69 119.246 127.932 -8.686 1
1 549 . 14 1 1 A 70 70 TYR HA H 70 3.706 4.523 -0.817 1
1 553 . 14 1 1 A 70 70 TYR CA C 70 63.989 64.323 -0.334 1
1 554 . 14 1 1 A 70 70 TYR CB C 70 40.145 31.920 8.225 1
1 555 . 14 1 1 A 70 70 TYR N N 70 125.887 133.878 -7.991 1
1 556 . 14 1 1 A 71 71 VAL H H 71 8.295 8.353 -0.058 1
1 557 . 14 1 1 A 71 71 VAL HA H 71 3.554 4.405 -0.851 1
1 565 . 14 1 1 A 71 71 VAL CA C 71 67.021 56.736 10.285 1
1 566 . 14 1 1 A 71 71 VAL CB C 71 32.084 32.485 -0.401 1
1 569 . 14 1 1 A 71 71 VAL N N 71 118.239 117.094 1.145 1
1 570 . 14 1 1 A 72 72 ASN H H 72 7.511 7.756 -0.245 1
1 571 . 14 1 1 A 72 72 ASN HA H 72 4.558 4.723 -0.165 1
1 574 . 14 1 1 A 72 72 ASN CA C 72 55.116 54.982 0.134 1
1 575 . 14 1 1 A 72 72 ASN CB C 72 39.569 42.194 -2.625 1
1 576 . 14 1 1 A 72 72 ASN N N 72 116.018 117.475 -1.457 1
1 577 . 14 1 1 A 73 73 SER H H 73 7.709 7.703 0.006 1
1 578 . 14 1 1 A 73 73 SER HA H 73 4.633 3.490 1.143 1
1 581 . 14 1 1 A 73 73 SER CA C 73 59.832 66.378 -6.546 1
1 582 . 14 1 1 A 73 73 SER CB C 73 65.899 31.099 34.800 1
1 583 . 14 1 1 A 73 73 SER N N 73 110.837 120.097 -9.260 1
1 584 . 14 1 1 A 74 74 LYS H H 74 7.942 7.920 0.022 1
1 585 . 14 1 1 A 74 74 LYS HA H 74 4.280 4.957 -0.677 1
1 593 . 14 1 1 A 74 74 LYS CA C 74 55.124 55.801 -0.677 1
1 594 . 14 1 1 A 74 74 LYS CB C 74 33.198 40.363 -7.165 1
1 598 . 14 1 1 A 74 74 LYS N N 74 120.706 115.137 5.569 1
1 599 . 14 1 1 A 75 75 VAL H H 75 7.227 8.740 -1.513 1
1 600 . 14 1 1 A 75 75 VAL HA H 75 3.315 4.610 -1.295 1
1 608 . 14 1 1 A 75 75 VAL CA C 75 67.599 63.457 4.142 1
1 609 . 14 1 1 A 75 75 VAL CB C 75 31.540 71.214 -39.674 1
1 612 . 14 1 1 A 75 75 VAL N N 75 120.147 115.904 4.243 1
1 613 . 14 1 1 A 76 76 ASP H H 76 8.851 7.809 1.042 1
1 614 . 14 1 1 A 76 76 ASP HA H 76 4.402 4.091 0.311 1
1 617 . 14 1 1 A 76 76 ASP CA C 76 59.568 58.742 0.826 1
1 618 . 14 1 1 A 76 76 ASP CB C 76 37.667 32.089 5.578 1
1 619 . 14 1 1 A 76 76 ASP N N 76 117.992 122.239 -4.247 1
1 620 . 14 1 1 A 77 77 PRO HA H 77 4.158 4.338 -0.180 1
1 626 . 14 1 1 A 77 77 PRO CA C 77 66.237 54.856 11.381 1
1 627 . 14 1 1 A 77 77 PRO CB C 77 31.347 41.781 -10.434 1
1 630 . 14 1 1 A 78 78 ILE H H 78 7.243 8.078 -0.835 1
1 631 . 14 1 1 A 78 78 ILE HA H 78 3.315 4.491 -1.176 1
1 641 . 14 1 1 A 78 78 ILE CA C 78 65.957 54.584 11.373 1
1 642 . 14 1 1 A 78 78 ILE CB C 78 38.787 36.653 2.134 1
1 646 . 14 1 1 A 78 78 ILE N N 78 119.472 114.845 4.627 1
1 647 . 14 1 1 A 79 79 ILE H H 79 8.180 8.038 0.142 1
1 648 . 14 1 1 A 79 79 ILE HA H 79 3.218 4.169 -0.951 1
1 658 . 14 1 1 A 79 79 ILE CA C 79 65.939 58.788 7.151 1
1 659 . 14 1 1 A 79 79 ILE CB C 79 37.344 29.618 7.726 1
1 663 . 14 1 1 A 79 79 ILE N N 79 119.472 115.538 3.934 1
1 664 . 14 1 1 A 80 80 HIS H H 80 8.671 8.013 0.658 1
1 665 . 14 1 1 A 80 80 HIS HA H 80 4.351 4.628 -0.277 1
1 670 . 14 1 1 A 80 80 HIS CA C 80 58.731 56.182 2.549 1
1 671 . 14 1 1 A 80 80 HIS CB C 80 27.913 42.349 -14.436 1
1 672 . 14 1 1 A 80 80 HIS N N 80 117.252 118.238 -0.986 1
1 1 . 15 1 1 A 12 12 SER H H 12 8.509 8.235 0.274 1
1 2 . 15 1 1 A 12 12 SER HA H 12 4.430 4.130 0.300 1
1 4 . 15 1 1 A 12 12 SER N N 12 118.485 116.017 2.468 1
1 5 . 15 1 1 A 13 13 GLY H H 13 8.404 7.857 0.547 1
1 7 . 15 1 1 A 13 13 GLY N N 13 111.084 119.376 -8.292 1
1 8 . 15 1 1 A 14 14 ILE H H 14 8.006 7.903 0.103 1
1 9 . 15 1 1 A 14 14 ILE HA H 14 4.086 4.109 -0.023 1
1 14 . 15 1 1 A 14 14 ILE N N 14 119.966 120.592 -0.626 1
1 15 . 15 1 1 A 15 15 GLU H H 15 8.528 7.718 0.810 1
1 16 . 15 1 1 A 15 15 GLU HA H 15 4.197 4.144 0.053 1
1 19 . 15 1 1 A 15 15 GLU N N 15 124.654 119.278 5.376 1
1 20 . 15 1 1 A 16 16 GLY H H 16 8.343 8.578 -0.235 1
1 22 . 15 1 1 A 16 16 GLY N N 16 110.097 121.644 -11.547 1
1 23 . 15 1 1 A 17 17 ARG H H 17 8.143 8.612 -0.469 1
1 24 . 15 1 1 A 17 17 ARG HA H 17 4.319 3.602 0.717 1
1 28 . 15 1 1 A 17 17 ARG N N 17 120.459 118.760 1.699 1
1 29 . 15 1 1 A 18 18 GLY H H 18 8.477 8.065 0.412 1
1 30 . 15 1 1 A 18 18 GLY HA2 H 18 3.894 4.162 -0.268 1
1 31 . 15 1 1 A 18 18 GLY N N 18 110.097 108.104 1.993 1
1 32 . 15 1 1 A 19 19 ARG H H 19 8.105 7.997 0.108 1
1 33 . 15 1 1 A 19 19 ARG HA H 19 4.283 4.486 -0.203 1
1 38 . 15 1 1 A 19 19 ARG CA C 19 56.218 59.538 -3.320 1
1 39 . 15 1 1 A 19 19 ARG CB C 19 30.987 64.481 -33.494 1
1 42 . 15 1 1 A 19 19 ARG N N 19 120.706 114.338 6.368 1
1 43 . 15 1 1 A 20 20 SER H H 20 8.553 7.992 0.561 1
1 44 . 15 1 1 A 20 20 SER HA H 20 4.432 4.174 0.258 1
1 47 . 15 1 1 A 20 20 SER CA C 20 58.189 54.610 3.579 1
1 48 . 15 1 1 A 20 20 SER CB C 20 63.967 17.761 46.206 1
1 49 . 15 1 1 A 20 20 SER N N 20 117.992 120.237 -2.245 1
1 50 . 15 1 1 A 21 21 ALA H H 21 8.233 8.041 0.192 1
1 51 . 15 1 1 A 21 21 ALA HA H 21 4.167 4.764 -0.597 1
1 55 . 15 1 1 A 21 21 ALA CA C 21 53.662 53.627 0.035 1
1 56 . 15 1 1 A 21 21 ALA CB C 21 18.745 41.635 -22.890 1
1 57 . 15 1 1 A 21 21 ALA N N 21 126.792 116.653 10.139 1
1 58 . 15 1 1 A 22 22 LEU H H 22 8.402 7.893 0.509 1
1 59 . 15 1 1 A 22 22 LEU HA H 22 4.036 3.951 0.085 1
1 66 . 15 1 1 A 22 22 LEU CA C 22 55.382 57.292 -1.910 1
1 67 . 15 1 1 A 22 22 LEU CB C 22 42.077 30.225 11.852 1
1 70 . 15 1 1 A 22 22 LEU N N 22 121.062 117.141 3.921 1
1 71 . 15 1 1 A 23 23 SER H H 23 8.155 7.956 0.199 1
1 72 . 15 1 1 A 23 23 SER HA H 23 3.913 4.933 -1.020 1
1 75 . 15 1 1 A 23 23 SER CA C 23 63.166 53.036 10.130 1
1 76 . 15 1 1 A 23 23 SER CB C 23 62.894 42.529 20.365 1
1 77 . 15 1 1 A 23 23 SER N N 23 114.448 118.923 -4.475 1
1 78 . 15 1 1 A 24 24 CYS H H 24 7.630 8.962 -1.332 1
1 79 . 15 1 1 A 24 24 CYS HA H 24 4.389 3.847 0.542 1
1 82 . 15 1 1 A 24 24 CYS CB C 24 37.631 18.312 19.319 1
1 83 . 15 1 1 A 24 24 CYS N N 24 120.980 128.168 -7.188 1
1 84 . 15 1 1 A 25 25 GLN H H 25 8.056 7.663 0.393 1
1 85 . 15 1 1 A 25 25 GLN HA H 25 4.031 4.564 -0.533 1
1 91 . 15 1 1 A 25 25 GLN CA C 25 59.555 55.803 3.752 1
1 92 . 15 1 1 A 25 25 GLN CB C 25 30.148 38.722 -8.574 1
1 94 . 15 1 1 A 25 25 GLN N N 25 118.033 116.728 1.305 1
1 96 . 15 1 1 A 26 26 MET H H 26 8.246 7.971 0.275 1
1 97 . 15 1 1 A 26 26 MET HA H 26 3.889 3.865 0.024 1
1 105 . 15 1 1 A 26 26 MET CA C 26 61.790 65.378 -3.588 1
1 106 . 15 1 1 A 26 26 MET CB C 26 35.426 31.401 4.025 1
1 109 . 15 1 1 A 26 26 MET N N 26 118.732 119.049 -0.317 1
1 110 . 15 1 1 A 27 27 CYS H H 27 8.415 7.422 0.993 1
1 111 . 15 1 1 A 27 27 CYS HA H 27 4.100 3.982 0.118 1
1 114 . 15 1 1 A 27 27 CYS CA C 27 61.807 63.890 -2.083 1
1 115 . 15 1 1 A 27 27 CYS CB C 27 42.874 37.665 5.209 1
1 116 . 15 1 1 A 27 27 CYS N N 27 121.237 120.651 0.586 1
1 117 . 15 1 1 A 28 28 GLU H H 28 8.581 8.241 0.340 1
1 118 . 15 1 1 A 28 28 GLU HA H 28 3.974 4.093 -0.119 1
1 123 . 15 1 1 A 28 28 GLU CA C 28 59.558 59.340 0.218 1
1 125 . 15 1 1 A 28 28 GLU N N 28 118.019 120.373 -2.354 1
1 126 . 15 1 1 A 29 29 LEU H H 29 7.881 7.703 0.178 1
1 127 . 15 1 1 A 29 29 LEU HA H 29 4.346 4.186 0.160 1
1 137 . 15 1 1 A 29 29 LEU CA C 29 57.877 59.756 -1.879 1
1 138 . 15 1 1 A 29 29 LEU CB C 29 42.067 32.400 9.667 1
1 142 . 15 1 1 A 29 29 LEU N N 29 122.680 119.841 2.839 1
1 143 . 15 1 1 A 30 30 VAL H H 30 8.251 8.044 0.207 1
1 144 . 15 1 1 A 30 30 VAL HA H 30 3.315 4.317 -1.002 1
1 152 . 15 1 1 A 30 30 VAL CA C 30 64.085 57.339 6.746 1
1 153 . 15 1 1 A 30 30 VAL CB C 30 32.374 40.431 -8.057 1
1 156 . 15 1 1 A 30 30 VAL N N 30 120.953 119.613 1.340 1
1 157 . 15 1 1 A 31 31 VAL H H 31 8.071 8.391 -0.320 1
1 158 . 15 1 1 A 31 31 VAL HA H 31 3.340 4.116 -0.776 1
1 166 . 15 1 1 A 31 31 VAL CA C 31 67.602 62.449 5.153 1
1 167 . 15 1 1 A 31 31 VAL CB C 31 31.803 39.203 -7.400 1
1 170 . 15 1 1 A 31 31 VAL N N 31 118.979 121.256 -2.277 1
1 171 . 15 1 1 A 32 32 LYS H H 32 8.088 8.352 -0.264 1
1 172 . 15 1 1 A 32 32 LYS HA H 32 4.096 4.374 -0.278 1
1 178 . 15 1 1 A 32 32 LYS CA C 32 59.838 58.006 1.832 1
1 179 . 15 1 1 A 32 32 LYS CB C 32 32.651 41.729 -9.078 1
1 183 . 15 1 1 A 32 32 LYS N N 32 119.226 119.282 -0.056 1
1 184 . 15 1 1 A 33 33 LYS H H 33 8.460 8.138 0.322 1
1 185 . 15 1 1 A 33 33 LYS HA H 33 4.176 4.054 0.122 1
1 194 . 15 1 1 A 33 33 LYS CA C 33 57.066 55.286 1.780 1
1 195 . 15 1 1 A 33 33 LYS CB C 33 31.540 18.618 12.922 1
1 199 . 15 1 1 A 33 33 LYS N N 33 118.868 121.125 -2.257 1
1 200 . 15 1 1 A 34 34 TYR H H 34 8.966 7.816 1.150 1
1 201 . 15 1 1 A 34 34 TYR HA H 34 3.935 4.030 -0.095 1
1 205 . 15 1 1 A 34 34 TYR CA C 34 62.301 56.323 5.978 1
1 206 . 15 1 1 A 34 34 TYR CB C 34 39.007 29.002 10.005 1
1 207 . 15 1 1 A 34 34 TYR N N 34 121.940 117.244 4.696 1
1 208 . 15 1 1 A 35 35 GLU H H 35 8.980 7.975 1.005 1
1 209 . 15 1 1 A 35 35 GLU HA H 35 3.898 4.642 -0.744 1
1 214 . 15 1 1 A 35 35 GLU CA C 35 58.979 58.254 0.725 1
1 215 . 15 1 1 A 35 35 GLU CB C 35 29.876 43.213 -13.337 1
1 217 . 15 1 1 A 35 35 GLU N N 35 118.239 118.533 -0.294 1
1 218 . 15 1 1 A 36 36 GLY H H 36 7.696 8.472 -0.776 1
1 221 . 15 1 1 A 36 36 GLY CA C 36 45.055 59.280 -14.225 1
1 222 . 15 1 1 A 36 36 GLY N N 36 103.730 120.762 -17.032 1
1 223 . 15 1 1 A 37 37 SER H H 37 6.977 7.516 -0.539 1
1 224 . 15 1 1 A 37 37 SER HA H 37 4.364 3.975 0.389 1
1 227 . 15 1 1 A 37 37 SER CA C 37 57.087 59.011 -1.924 1
1 228 . 15 1 1 A 37 37 SER CB C 37 63.450 32.586 30.864 1
1 229 . 15 1 1 A 37 37 SER N N 37 115.525 119.727 -4.202 1
1 230 . 15 1 1 A 38 38 ALA H H 38 8.918 7.830 1.088 1
1 231 . 15 1 1 A 38 38 ALA HA H 38 4.153 3.756 0.397 1
1 235 . 15 1 1 A 38 38 ALA CA C 38 54.285 57.905 -3.620 1
1 236 . 15 1 1 A 38 38 ALA CB C 38 18.784 41.275 -22.491 1
1 237 . 15 1 1 A 38 38 ALA N N 38 131.315 120.944 10.371 1
1 238 . 15 1 1 A 39 39 ASP H H 39 7.712 8.580 -0.868 1
1 239 . 15 1 1 A 39 39 ASP HA H 39 4.578 4.674 -0.096 1
1 242 . 15 1 1 A 39 39 ASP CA C 39 52.907 58.300 -5.393 1
1 243 . 15 1 1 A 39 39 ASP CB C 39 41.519 38.222 3.297 1
1 244 . 15 1 1 A 39 39 ASP N N 39 114.785 116.746 -1.961 1
1 245 . 15 1 1 A 40 40 LYS H H 40 8.386 8.187 0.199 1
1 246 . 15 1 1 A 40 40 LYS HA H 40 3.604 4.788 -1.184 1
1 255 . 15 1 1 A 40 40 LYS CA C 40 54.835 57.782 -2.947 1
1 256 . 15 1 1 A 40 40 LYS CB C 40 29.039 28.857 0.182 1
1 260 . 15 1 1 A 40 40 LYS N N 40 119.226 118.134 1.092 1
1 261 . 15 1 1 A 41 41 ASP H H 41 7.523 7.679 -0.156 1
1 262 . 15 1 1 A 41 41 ASP HA H 41 4.376 4.368 0.008 1
1 265 . 15 1 1 A 41 41 ASP CA C 41 54.330 59.799 -5.469 1
1 266 . 15 1 1 A 41 41 ASP CB C 41 42.108 68.579 -26.471 1
1 267 . 15 1 1 A 41 41 ASP N N 41 119.226 106.693 12.533 1
1 268 . 15 1 1 A 42 42 ALA H H 42 9.017 8.240 0.777 1
1 269 . 15 1 1 A 42 42 ALA HA H 42 3.860 4.597 -0.737 1
1 273 . 15 1 1 A 42 42 ALA CA C 42 55.680 57.819 -2.139 1
1 274 . 15 1 1 A 42 42 ALA CB C 42 19.315 41.650 -22.335 1
1 275 . 15 1 1 A 42 42 ALA N N 42 130.822 125.951 4.871 1
1 277 . 15 1 1 A 43 43 ASN HA H 43 4.386 3.856 0.530 1
1 280 . 15 1 1 A 43 43 ASN CA C 43 56.511 63.241 -6.730 1
1 281 . 15 1 1 A 43 43 ASN CB C 43 38.255 30.721 7.534 1
1 282 . 15 1 1 A 43 43 ASN N N 43 114.785 140.244 -25.459 1
1 283 . 15 1 1 A 44 44 VAL H H 44 7.510 8.380 -0.870 1
1 284 . 15 1 1 A 44 44 VAL HA H 44 3.601 4.125 -0.524 1
1 292 . 15 1 1 A 44 44 VAL CA C 44 66.228 59.699 6.529 1
1 293 . 15 1 1 A 44 44 VAL CB C 44 33.117 36.606 -3.489 1
1 296 . 15 1 1 A 44 44 VAL N N 44 123.173 117.153 6.020 1
1 297 . 15 1 1 A 45 45 ILE H H 45 8.084 7.971 0.113 1
1 308 . 15 1 1 A 45 45 ILE CA C 45 65.113 47.282 17.831 1
1 313 . 15 1 1 A 45 45 ILE N N 45 120.213 107.759 12.454 1
1 314 . 15 1 1 A 46 46 LYS H H 46 8.393 8.199 0.194 1
1 315 . 15 1 1 A 46 46 LYS HA H 46 3.809 4.042 -0.233 1
1 320 . 15 1 1 A 46 46 LYS CA C 46 62.030 65.608 -3.578 1
1 321 . 15 1 1 A 46 46 LYS CB C 46 32.915 68.393 -35.478 1
1 324 . 15 1 1 A 46 46 LYS N N 46 118.239 116.284 1.955 1
1 325 . 15 1 1 A 47 47 LYS H H 47 7.469 8.203 -0.734 1
1 326 . 15 1 1 A 47 47 LYS HA H 47 4.128 4.100 0.028 1
1 332 . 15 1 1 A 47 47 LYS CA C 47 59.824 59.784 0.040 1
1 333 . 15 1 1 A 47 47 LYS CB C 47 32.656 30.067 2.589 1
1 337 . 15 1 1 A 47 47 LYS N N 47 119.719 121.988 -2.269 1
1 338 . 15 1 1 A 48 48 ASP H H 48 8.697 8.791 -0.094 1
1 339 . 15 1 1 A 48 48 ASP HA H 48 4.483 4.115 0.368 1
1 342 . 15 1 1 A 48 48 ASP CA C 48 57.054 59.413 -2.359 1
1 343 . 15 1 1 A 48 48 ASP CB C 48 40.422 28.747 11.675 1
1 344 . 15 1 1 A 48 48 ASP N N 48 122.433 118.191 4.242 1
1 345 . 15 1 1 A 49 49 PHE H H 49 9.328 8.288 1.040 1
1 346 . 15 1 1 A 49 49 PHE HA H 49 3.820 4.589 -0.769 1
1 351 . 15 1 1 A 49 49 PHE CA C 49 62.071 60.186 1.885 1
1 352 . 15 1 1 A 49 49 PHE CB C 49 39.041 42.186 -3.145 1
1 353 . 15 1 1 A 49 49 PHE N N 49 120.502 118.917 1.585 1
1 354 . 15 1 1 A 50 50 ASP H H 50 8.603 8.198 0.405 1
1 355 . 15 1 1 A 50 50 ASP HA H 50 3.855 4.466 -0.611 1
1 358 . 15 1 1 A 50 50 ASP CA C 50 57.655 56.987 0.668 1
1 359 . 15 1 1 A 50 50 ASP CB C 50 41.246 41.804 -0.558 1
1 360 . 15 1 1 A 50 50 ASP N N 50 120.706 122.037 -1.331 1
1 361 . 15 1 1 A 51 51 ALA H H 51 7.510 7.645 -0.135 1
1 362 . 15 1 1 A 51 51 ALA HA H 51 3.982 4.547 -0.565 1
1 366 . 15 1 1 A 51 51 ALA CA C 51 56.311 57.108 -0.797 1
1 367 . 15 1 1 A 51 51 ALA CB C 51 18.201 28.977 -10.776 1
1 368 . 15 1 1 A 51 51 ALA N N 51 117.499 116.416 1.083 1
1 369 . 15 1 1 A 52 52 GLU H H 52 7.604 9.107 -1.503 1
1 370 . 15 1 1 A 52 52 GLU HA H 52 3.941 4.555 -0.614 1
1 374 . 15 1 1 A 52 52 GLU CA C 52 59.294 59.885 -0.591 1
1 375 . 15 1 1 A 52 52 GLU CB C 52 29.581 39.996 -10.415 1
1 377 . 15 1 1 A 52 52 GLU N N 52 118.979 120.060 -1.081 1
1 378 . 15 1 1 A 53 53 CYS H H 53 9.106 7.489 1.617 1
1 379 . 15 1 1 A 53 53 CYS HA H 53 3.502 3.914 -0.412 1
1 382 . 15 1 1 A 53 53 CYS CA C 53 60.943 60.871 0.072 1
1 383 . 15 1 1 A 53 53 CYS CB C 53 37.388 30.971 6.417 1
1 384 . 15 1 1 A 53 53 CYS N N 53 120.292 111.791 8.501 1
1 385 . 15 1 1 A 54 54 LYS H H 54 7.888 7.936 -0.048 1
1 386 . 15 1 1 A 54 54 LYS HA H 54 3.634 4.882 -1.248 1
1 394 . 15 1 1 A 54 54 LYS CA C 54 60.379 52.590 7.789 1
1 395 . 15 1 1 A 54 54 LYS CB C 54 32.093 38.703 -6.610 1
1 399 . 15 1 1 A 54 54 LYS N N 54 117.499 121.312 -3.813 1
1 400 . 15 1 1 A 55 55 LYS H H 55 7.300 7.949 -0.649 1
1 401 . 15 1 1 A 55 55 LYS HA H 55 4.028 4.505 -0.477 1
1 408 . 15 1 1 A 55 55 LYS CA C 55 59.571 58.791 0.780 1
1 409 . 15 1 1 A 55 55 LYS CB C 55 32.647 65.979 -33.332 1
1 412 . 15 1 1 A 55 55 LYS N N 55 120.213 115.083 5.130 1
1 413 . 15 1 1 A 56 56 LEU H H 56 8.074 7.917 0.157 1
1 414 . 15 1 1 A 56 56 LEU HA H 56 3.848 4.270 -0.422 1
1 424 . 15 1 1 A 56 56 LEU CA C 56 57.354 55.371 1.983 1
1 425 . 15 1 1 A 56 56 LEU CB C 56 41.816 32.956 8.860 1
1 429 . 15 1 1 A 56 56 LEU N N 56 119.719 117.727 1.992 1
1 430 . 15 1 1 A 57 57 PHE H H 57 8.054 7.583 0.471 1
1 431 . 15 1 1 A 57 57 PHE HA H 57 4.983 3.784 1.199 1
1 436 . 15 1 1 A 57 57 PHE CA C 57 56.470 63.895 -7.425 1
1 437 . 15 1 1 A 57 57 PHE CB C 57 37.916 32.151 5.765 1
1 438 . 15 1 1 A 57 57 PHE N N 57 113.798 117.873 -4.075 1
1 439 . 15 1 1 A 58 58 HIS H H 58 7.523 7.710 -0.187 1
1 440 . 15 1 1 A 58 58 HIS HA H 58 4.448 4.356 0.092 1
1 443 . 15 1 1 A 58 58 HIS CA C 58 59.037 59.138 -0.101 1
1 444 . 15 1 1 A 58 58 HIS CB C 58 27.942 40.161 -12.219 1
1 445 . 15 1 1 A 58 58 HIS N N 58 116.758 121.536 -4.778 1
1 447 . 15 1 1 A 59 59 THR HA H 59 4.085 4.631 -0.546 1
1 452 . 15 1 1 A 59 59 THR CA C 59 62.033 65.450 -3.417 1
1 453 . 15 1 1 A 59 59 THR CB C 59 68.425 30.407 38.018 1
1 455 . 15 1 1 A 59 59 THR N N 59 108.123 134.899 -26.776 1
1 456 . 15 1 1 A 60 60 ILE H H 60 7.540 7.429 0.111 1
1 457 . 15 1 1 A 60 60 ILE HA H 60 4.444 3.559 0.885 1
1 467 . 15 1 1 A 60 60 ILE CA C 60 58.167 64.408 -6.241 1
1 468 . 15 1 1 A 60 60 ILE CB C 60 38.745 37.696 1.049 1
1 472 . 15 1 1 A 60 60 ILE N N 60 124.900 116.025 8.875 1
1 473 . 15 1 1 A 61 61 PRO HA H 61 4.105 4.024 0.081 1
1 480 . 15 1 1 A 61 61 PRO CA C 61 64.800 64.027 0.773 1
1 481 . 15 1 1 A 61 61 PRO CB C 61 31.271 36.900 -5.629 1
1 484 . 15 1 1 A 62 62 PHE HA H 62 4.560 4.486 0.074 1
1 487 . 15 1 1 A 62 62 PHE CA C 62 58.476 58.284 0.192 1
1 488 . 15 1 1 A 62 62 PHE CB C 62 37.121 28.285 8.836 1
1 489 . 15 1 1 A 63 63 GLY H H 63 8.543 7.996 0.547 1
1 492 . 15 1 1 A 63 63 GLY CA C 63 47.897 59.063 -11.166 1
1 493 . 15 1 1 A 63 63 GLY N N 63 110.590 122.543 -11.953 1
1 494 . 15 1 1 A 64 64 THR H H 64 8.513 8.142 0.371 1
1 495 . 15 1 1 A 64 64 THR HA H 64 4.206 4.341 -0.135 1
1 500 . 15 1 1 A 64 64 THR CA C 64 67.646 58.052 9.594 1
1 501 . 15 1 1 A 64 64 THR CB C 64 67.349 40.968 26.381 1
1 503 . 15 1 1 A 64 64 THR N N 64 114.538 120.364 -5.826 1
1 504 . 15 1 1 A 65 65 ARG H H 65 7.519 9.070 -1.551 1
1 505 . 15 1 1 A 65 65 ARG HA H 65 4.177 4.181 -0.004 1
1 512 . 15 1 1 A 65 65 ARG CA C 65 55.799 58.538 -2.739 1
1 513 . 15 1 1 A 65 65 ARG CB C 65 30.146 28.581 1.565 1
1 516 . 15 1 1 A 65 65 ARG N N 65 121.940 117.843 4.097 1
1 517 . 15 1 1 A 66 66 GLU H H 66 8.453 8.197 0.256 1
1 523 . 15 1 1 A 66 66 GLU CA C 66 58.981 46.347 12.634 1
1 526 . 15 1 1 A 66 66 GLU N N 66 120.459 108.234 12.225 1
1 527 . 15 1 1 A 67 67 CYS H H 67 8.467 7.928 0.539 1
1 531 . 15 1 1 A 67 67 CYS CA C 67 59.277 45.304 13.973 1
1 533 . 15 1 1 A 67 67 CYS N N 67 121.446 106.907 14.539 1
1 534 . 15 1 1 A 68 68 ASP H H 68 8.002 7.804 0.198 1
1 535 . 15 1 1 A 68 68 ASP HA H 68 4.514 4.267 0.247 1
1 538 . 15 1 1 A 68 68 ASP CA C 68 57.902 62.890 -4.988 1
1 539 . 15 1 1 A 68 68 ASP CB C 68 40.393 69.763 -29.370 1
1 540 . 15 1 1 A 68 68 ASP N N 68 120.459 115.482 4.977 1
1 541 . 15 1 1 A 69 69 HIS H H 69 8.564 8.592 -0.028 1
1 542 . 15 1 1 A 69 69 HIS HA H 69 4.510 4.835 -0.325 1
1 545 . 15 1 1 A 69 69 HIS CA C 69 58.127 50.035 8.092 1
1 546 . 15 1 1 A 69 69 HIS CB C 69 28.480 20.130 8.350 1
1 547 . 15 1 1 A 69 69 HIS N N 69 119.246 125.988 -6.742 1
1 549 . 15 1 1 A 70 70 TYR HA H 70 3.706 4.599 -0.893 1
1 553 . 15 1 1 A 70 70 TYR CA C 70 63.989 64.031 -0.042 1
1 554 . 15 1 1 A 70 70 TYR CB C 70 40.145 31.819 8.326 1
1 555 . 15 1 1 A 70 70 TYR N N 70 125.887 133.248 -7.361 1
1 556 . 15 1 1 A 71 71 VAL H H 71 8.295 8.351 -0.056 1
1 557 . 15 1 1 A 71 71 VAL HA H 71 3.554 4.544 -0.990 1
1 565 . 15 1 1 A 71 71 VAL CA C 71 67.021 56.028 10.993 1
1 566 . 15 1 1 A 71 71 VAL CB C 71 32.084 33.296 -1.212 1
1 569 . 15 1 1 A 71 71 VAL N N 71 118.239 115.534 2.705 1
1 570 . 15 1 1 A 72 72 ASN H H 72 7.511 7.925 -0.414 1
1 571 . 15 1 1 A 72 72 ASN HA H 72 4.558 4.757 -0.199 1
1 574 . 15 1 1 A 72 72 ASN CA C 72 55.116 54.526 0.590 1
1 575 . 15 1 1 A 72 72 ASN CB C 72 39.569 42.195 -2.626 1
1 576 . 15 1 1 A 72 72 ASN N N 72 116.018 119.061 -3.043 1
1 577 . 15 1 1 A 73 73 SER H H 73 7.709 7.444 0.265 1
1 578 . 15 1 1 A 73 73 SER HA H 73 4.633 3.479 1.154 1
1 581 . 15 1 1 A 73 73 SER CA C 73 59.832 66.425 -6.593 1
1 582 . 15 1 1 A 73 73 SER CB C 73 65.899 31.448 34.451 1
1 583 . 15 1 1 A 73 73 SER N N 73 110.837 119.184 -8.347 1
1 584 . 15 1 1 A 74 74 LYS H H 74 7.942 7.875 0.067 1
1 585 . 15 1 1 A 74 74 LYS HA H 74 4.280 4.794 -0.514 1
1 593 . 15 1 1 A 74 74 LYS CA C 74 55.124 56.282 -1.158 1
1 594 . 15 1 1 A 74 74 LYS CB C 74 33.198 41.889 -8.691 1
1 598 . 15 1 1 A 74 74 LYS N N 74 120.706 115.625 5.081 1
1 599 . 15 1 1 A 75 75 VAL H H 75 7.227 8.102 -0.875 1
1 600 . 15 1 1 A 75 75 VAL HA H 75 3.315 4.593 -1.278 1
1 608 . 15 1 1 A 75 75 VAL CA C 75 67.599 63.650 3.949 1
1 609 . 15 1 1 A 75 75 VAL CB C 75 31.540 70.635 -39.095 1
1 612 . 15 1 1 A 75 75 VAL N N 75 120.147 114.032 6.115 1
1 613 . 15 1 1 A 76 76 ASP H H 76 8.851 8.766 0.085 1
1 614 . 15 1 1 A 76 76 ASP HA H 76 4.402 4.091 0.311 1
1 617 . 15 1 1 A 76 76 ASP CA C 76 59.568 59.263 0.305 1
1 618 . 15 1 1 A 76 76 ASP CB C 76 37.667 32.042 5.625 1
1 619 . 15 1 1 A 76 76 ASP N N 76 117.992 119.728 -1.736 1
1 620 . 15 1 1 A 77 77 PRO HA H 77 4.158 4.367 -0.209 1
1 626 . 15 1 1 A 77 77 PRO CA C 77 66.237 54.734 11.503 1
1 627 . 15 1 1 A 77 77 PRO CB C 77 31.347 41.834 -10.487 1
1 630 . 15 1 1 A 78 78 ILE H H 78 7.243 8.084 -0.841 1
1 631 . 15 1 1 A 78 78 ILE HA H 78 3.315 4.398 -1.083 1
1 641 . 15 1 1 A 78 78 ILE CA C 78 65.957 54.501 11.456 1
1 642 . 15 1 1 A 78 78 ILE CB C 78 38.787 38.254 0.533 1
1 646 . 15 1 1 A 78 78 ILE N N 78 119.472 116.204 3.268 1
1 647 . 15 1 1 A 79 79 ILE H H 79 8.180 8.023 0.157 1
1 648 . 15 1 1 A 79 79 ILE HA H 79 3.218 4.437 -1.219 1
1 658 . 15 1 1 A 79 79 ILE CA C 79 65.939 55.866 10.073 1
1 659 . 15 1 1 A 79 79 ILE CB C 79 37.344 28.342 9.002 1
1 663 . 15 1 1 A 79 79 ILE N N 79 119.472 118.024 1.448 1
1 664 . 15 1 1 A 80 80 HIS H H 80 8.671 7.670 1.001 1
1 665 . 15 1 1 A 80 80 HIS HA H 80 4.351 4.875 -0.524 1
1 670 . 15 1 1 A 80 80 HIS CA C 80 58.731 54.233 4.498 1
1 671 . 15 1 1 A 80 80 HIS CB C 80 27.913 45.739 -17.826 1
1 672 . 15 1 1 A 80 80 HIS N N 80 117.252 119.003 -1.751 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 61 6.281 1
3 1 1 1 "RMS(OBS, PRED)" CB 56 17.874 1
4 1 1 1 "RMS(OBS, PRED)" H 63 0.668 1
5 1 1 1 "RMS(OBS, PRED)" HA 62 0.572 1
6 1 1 1 "RMS(OBS, PRED)" N 66 7.604 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 61 6.367 1
9 1 2 1 "RMS(OBS, PRED)" CB 56 17.915 1
10 1 2 1 "RMS(OBS, PRED)" H 63 0.595 1
11 1 2 1 "RMS(OBS, PRED)" HA 62 0.562 1
12 1 2 1 "RMS(OBS, PRED)" N 66 7.548 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 61 6.333 1
15 1 3 1 "RMS(OBS, PRED)" CB 56 18.014 1
16 1 3 1 "RMS(OBS, PRED)" H 63 0.618 1
17 1 3 1 "RMS(OBS, PRED)" HA 62 0.597 1
18 1 3 1 "RMS(OBS, PRED)" N 66 7.481 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 61 6.532 1
21 1 4 1 "RMS(OBS, PRED)" CB 56 18.023 1
22 1 4 1 "RMS(OBS, PRED)" H 63 0.710 1
23 1 4 1 "RMS(OBS, PRED)" HA 62 0.573 1
24 1 4 1 "RMS(OBS, PRED)" N 66 7.518 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 61 6.465 1
27 1 5 1 "RMS(OBS, PRED)" CB 56 17.794 1
28 1 5 1 "RMS(OBS, PRED)" H 63 0.661 1
29 1 5 1 "RMS(OBS, PRED)" HA 62 0.586 1
30 1 5 1 "RMS(OBS, PRED)" N 66 7.451 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 61 6.403 1
33 1 6 1 "RMS(OBS, PRED)" CB 56 17.935 1
34 1 6 1 "RMS(OBS, PRED)" H 63 0.653 1
35 1 6 1 "RMS(OBS, PRED)" HA 62 0.571 1
36 1 6 1 "RMS(OBS, PRED)" N 66 7.525 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 61 6.226 1
39 1 7 1 "RMS(OBS, PRED)" CB 56 18.076 1
40 1 7 1 "RMS(OBS, PRED)" H 63 0.646 1
41 1 7 1 "RMS(OBS, PRED)" HA 62 0.572 1
42 1 7 1 "RMS(OBS, PRED)" N 66 7.577 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 61 6.628 1
45 1 8 1 "RMS(OBS, PRED)" CB 56 18.037 1
46 1 8 1 "RMS(OBS, PRED)" H 63 0.674 1
47 1 8 1 "RMS(OBS, PRED)" HA 62 0.599 1
48 1 8 1 "RMS(OBS, PRED)" N 66 7.490 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 61 6.526 1
51 1 9 1 "RMS(OBS, PRED)" CB 56 17.987 1
52 1 9 1 "RMS(OBS, PRED)" H 63 0.725 1
53 1 9 1 "RMS(OBS, PRED)" HA 62 0.580 1
54 1 9 1 "RMS(OBS, PRED)" N 66 7.564 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 61 6.625 1
57 1 10 1 "RMS(OBS, PRED)" CB 56 17.904 1
58 1 10 1 "RMS(OBS, PRED)" H 63 0.686 1
59 1 10 1 "RMS(OBS, PRED)" HA 62 0.602 1
60 1 10 1 "RMS(OBS, PRED)" N 66 7.545 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 61 6.513 1
63 1 11 1 "RMS(OBS, PRED)" CB 56 17.896 1
64 1 11 1 "RMS(OBS, PRED)" H 63 0.638 1
65 1 11 1 "RMS(OBS, PRED)" HA 62 0.550 1
66 1 11 1 "RMS(OBS, PRED)" N 66 7.431 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 61 6.428 1
69 1 12 1 "RMS(OBS, PRED)" CB 56 17.880 1
70 1 12 1 "RMS(OBS, PRED)" H 63 0.649 1
71 1 12 1 "RMS(OBS, PRED)" HA 62 0.578 1
72 1 12 1 "RMS(OBS, PRED)" N 66 7.667 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 61 6.388 1
75 1 13 1 "RMS(OBS, PRED)" CB 56 18.057 1
76 1 13 1 "RMS(OBS, PRED)" H 63 0.643 1
77 1 13 1 "RMS(OBS, PRED)" HA 62 0.591 1
78 1 13 1 "RMS(OBS, PRED)" N 66 7.484 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 61 6.362 1
81 1 14 1 "RMS(OBS, PRED)" CB 56 17.896 1
82 1 14 1 "RMS(OBS, PRED)" H 63 0.643 1
83 1 14 1 "RMS(OBS, PRED)" HA 62 0.596 1
84 1 14 1 "RMS(OBS, PRED)" N 66 7.596 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 61 6.336 1
87 1 15 1 "RMS(OBS, PRED)" CB 56 18.088 1
88 1 15 1 "RMS(OBS, PRED)" H 63 0.643 1
89 1 15 1 "RMS(OBS, PRED)" HA 62 0.610 1
90 1 15 1 "RMS(OBS, PRED)" N 66 7.649 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 12 12 SER H H 12 8.509 8.290 0.219 2
1 2 . 1 1 A 12 12 SER HA H 12 4.430 4.044 0.386 2
1 4 . 1 1 A 12 12 SER N N 12 118.485 116.764 1.721 2
1 5 . 1 1 A 13 13 GLY H H 13 8.404 8.030 0.374 2
1 7 . 1 1 A 13 13 GLY N N 13 111.084 118.953 -7.869 2
1 8 . 1 1 A 14 14 ILE H H 14 8.006 8.175 -0.169 2
1 9 . 1 1 A 14 14 ILE HA H 14 4.086 4.046 0.040 2
1 14 . 1 1 A 14 14 ILE N N 14 119.966 121.970 -2.004 2
1 15 . 1 1 A 15 15 GLU H H 15 8.528 7.731 0.797 2
1 16 . 1 1 A 15 15 GLU HA H 15 4.197 4.165 0.032 2
1 19 . 1 1 A 15 15 GLU N N 15 124.654 119.010 5.644 2
1 20 . 1 1 A 16 16 GLY H H 16 8.343 8.668 -0.325 2
1 22 . 1 1 A 16 16 GLY N N 16 110.097 121.585 -11.488 2
1 23 . 1 1 A 17 17 ARG H H 17 8.143 8.831 -0.688 2
1 24 . 1 1 A 17 17 ARG HA H 17 4.319 3.771 0.548 2
1 28 . 1 1 A 17 17 ARG N N 17 120.459 118.616 1.843 2
1 29 . 1 1 A 18 18 GLY H H 18 8.477 7.992 0.485 2
1 30 . 1 1 A 18 18 GLY HA2 H 18 3.894 4.167 -0.273 2
1 31 . 1 1 A 18 18 GLY N N 18 110.097 107.883 2.214 2
1 32 . 1 1 A 19 19 ARG H H 19 8.105 8.213 -0.108 2
1 33 . 1 1 A 19 19 ARG HA H 19 4.283 4.576 -0.293 2
1 38 . 1 1 A 19 19 ARG CA C 19 56.218 60.736 -4.518 2
1 39 . 1 1 A 19 19 ARG CB C 19 30.987 64.168 -33.181 2
1 42 . 1 1 A 19 19 ARG N N 19 120.706 115.121 5.585 2
1 43 . 1 1 A 20 20 SER H H 20 8.553 7.988 0.565 2
1 44 . 1 1 A 20 20 SER HA H 20 4.432 4.197 0.235 2
1 47 . 1 1 A 20 20 SER CA C 20 58.189 54.200 3.989 2
1 48 . 1 1 A 20 20 SER CB C 20 63.967 18.024 45.943 2
1 49 . 1 1 A 20 20 SER N N 20 117.992 121.161 -3.169 2
1 50 . 1 1 A 21 21 ALA H H 21 8.233 8.133 0.100 2
1 51 . 1 1 A 21 21 ALA HA H 21 4.167 4.725 -0.558 2
1 55 . 1 1 A 21 21 ALA CA C 21 53.662 53.757 -0.095 2
1 56 . 1 1 A 21 21 ALA CB C 21 18.745 41.959 -23.214 2
1 57 . 1 1 A 21 21 ALA N N 21 126.792 115.913 10.879 2
1 58 . 1 1 A 22 22 LEU H H 22 8.402 7.923 0.479 2
1 59 . 1 1 A 22 22 LEU HA H 22 4.036 3.959 0.077 2
1 66 . 1 1 A 22 22 LEU CA C 22 55.382 57.317 -1.935 2
1 67 . 1 1 A 22 22 LEU CB C 22 42.077 29.842 12.235 2
1 70 . 1 1 A 22 22 LEU N N 22 121.062 116.829 4.233 2
1 71 . 1 1 A 23 23 SER H H 23 8.155 7.944 0.211 2
1 72 . 1 1 A 23 23 SER HA H 23 3.913 4.865 -0.952 2
1 75 . 1 1 A 23 23 SER CA C 23 63.166 53.307 9.859 2
1 76 . 1 1 A 23 23 SER CB C 23 62.894 42.543 20.351 2
1 77 . 1 1 A 23 23 SER N N 23 114.448 118.330 -3.882 2
1 78 . 1 1 A 24 24 CYS H H 24 7.630 8.919 -1.289 2
1 79 . 1 1 A 24 24 CYS HA H 24 4.389 3.921 0.468 2
1 82 . 1 1 A 24 24 CYS CB C 24 37.631 18.395 19.236 2
1 83 . 1 1 A 24 24 CYS N N 24 120.980 127.786 -6.806 2
1 84 . 1 1 A 25 25 GLN H H 25 8.056 7.851 0.205 2
1 85 . 1 1 A 25 25 GLN HA H 25 4.031 4.553 -0.522 2
1 91 . 1 1 A 25 25 GLN CA C 25 59.555 55.719 3.836 2
1 92 . 1 1 A 25 25 GLN CB C 25 30.148 38.827 -8.679 2
1 94 . 1 1 A 25 25 GLN N N 25 118.033 116.625 1.408 2
1 96 . 1 1 A 26 26 MET H H 26 8.246 7.801 0.445 2
1 97 . 1 1 A 26 26 MET HA H 26 3.889 3.893 -0.004 2
1 105 . 1 1 A 26 26 MET CA C 26 61.790 65.226 -3.436 2
1 106 . 1 1 A 26 26 MET CB C 26 35.426 31.457 3.969 2
1 109 . 1 1 A 26 26 MET N N 26 118.732 118.993 -0.261 2
1 110 . 1 1 A 27 27 CYS H H 27 8.415 7.447 0.968 2
1 111 . 1 1 A 27 27 CYS HA H 27 4.100 3.947 0.153 2
1 114 . 1 1 A 27 27 CYS CA C 27 61.807 64.146 -2.339 2
1 115 . 1 1 A 27 27 CYS CB C 27 42.874 37.705 5.169 2
1 116 . 1 1 A 27 27 CYS N N 27 121.237 121.456 -0.219 2
1 117 . 1 1 A 28 28 GLU H H 28 8.581 8.025 0.556 2
1 118 . 1 1 A 28 28 GLU HA H 28 3.974 4.064 -0.090 2
1 123 . 1 1 A 28 28 GLU CA C 28 59.558 59.179 0.379 2
1 125 . 1 1 A 28 28 GLU N N 28 118.019 120.629 -2.610 2
1 126 . 1 1 A 29 29 LEU H H 29 7.881 7.574 0.307 2
1 127 . 1 1 A 29 29 LEU HA H 29 4.346 4.145 0.201 2
1 137 . 1 1 A 29 29 LEU CA C 29 57.877 59.737 -1.860 2
1 138 . 1 1 A 29 29 LEU CB C 29 42.067 32.352 9.715 2
1 142 . 1 1 A 29 29 LEU N N 29 122.680 119.708 2.972 2
1 143 . 1 1 A 30 30 VAL H H 30 8.251 8.220 0.031 2
1 144 . 1 1 A 30 30 VAL HA H 30 3.315 4.326 -1.011 2
1 152 . 1 1 A 30 30 VAL CA C 30 64.085 57.375 6.710 2
1 153 . 1 1 A 30 30 VAL CB C 30 32.374 40.700 -8.326 2
1 156 . 1 1 A 30 30 VAL N N 30 120.953 119.855 1.098 2
1 157 . 1 1 A 31 31 VAL H H 31 8.071 8.540 -0.469 2
1 158 . 1 1 A 31 31 VAL HA H 31 3.340 4.066 -0.726 2
1 166 . 1 1 A 31 31 VAL CA C 31 67.602 62.202 5.400 2
1 167 . 1 1 A 31 31 VAL CB C 31 31.803 39.173 -7.370 2
1 170 . 1 1 A 31 31 VAL N N 31 118.979 121.096 -2.117 2
1 171 . 1 1 A 32 32 LYS H H 32 8.088 8.410 -0.322 2
1 172 . 1 1 A 32 32 LYS HA H 32 4.096 4.488 -0.392 2
1 178 . 1 1 A 32 32 LYS CA C 32 59.838 57.655 2.183 2
1 179 . 1 1 A 32 32 LYS CB C 32 32.651 41.585 -8.934 2
1 183 . 1 1 A 32 32 LYS N N 32 119.226 119.280 -0.054 2
1 184 . 1 1 A 33 33 LYS H H 33 8.460 8.430 0.030 2
1 185 . 1 1 A 33 33 LYS HA H 33 4.176 4.031 0.145 2
1 194 . 1 1 A 33 33 LYS CA C 33 57.066 55.393 1.673 2
1 195 . 1 1 A 33 33 LYS CB C 33 31.540 18.675 12.865 2
1 199 . 1 1 A 33 33 LYS N N 33 118.868 121.701 -2.833 2
1 200 . 1 1 A 34 34 TYR H H 34 8.966 8.084 0.882 2
1 201 . 1 1 A 34 34 TYR HA H 34 3.935 3.952 -0.017 2
1 205 . 1 1 A 34 34 TYR CA C 34 62.301 58.328 3.973 2
1 206 . 1 1 A 34 34 TYR CB C 34 39.007 29.071 9.936 2
1 207 . 1 1 A 34 34 TYR N N 34 121.940 117.348 4.592 2
1 208 . 1 1 A 35 35 GLU H H 35 8.980 8.072 0.908 2
1 209 . 1 1 A 35 35 GLU HA H 35 3.898 4.230 -0.332 2
1 214 . 1 1 A 35 35 GLU CA C 35 58.979 59.146 -0.167 2
1 215 . 1 1 A 35 35 GLU CB C 35 29.876 42.075 -12.199 2
1 217 . 1 1 A 35 35 GLU N N 35 118.239 118.181 0.058 2
1 218 . 1 1 A 36 36 GLY H H 36 7.696 8.255 -0.559 2
1 221 . 1 1 A 36 36 GLY CA C 36 45.055 59.148 -14.093 2
1 222 . 1 1 A 36 36 GLY N N 36 103.730 120.163 -16.433 2
1 223 . 1 1 A 37 37 SER H H 37 6.977 7.765 -0.788 2
1 224 . 1 1 A 37 37 SER HA H 37 4.364 4.208 0.156 2
1 227 . 1 1 A 37 37 SER CA C 37 57.087 58.426 -1.339 2
1 228 . 1 1 A 37 37 SER CB C 37 63.450 32.702 30.748 2
1 229 . 1 1 A 37 37 SER N N 37 115.525 118.751 -3.226 2
1 230 . 1 1 A 38 38 ALA H H 38 8.918 8.674 0.244 2
1 231 . 1 1 A 38 38 ALA HA H 38 4.153 3.930 0.223 2
1 235 . 1 1 A 38 38 ALA CA C 38 54.285 57.852 -3.567 2
1 236 . 1 1 A 38 38 ALA CB C 38 18.784 41.464 -22.680 2
1 237 . 1 1 A 38 38 ALA N N 38 131.315 120.432 10.883 2
1 238 . 1 1 A 39 39 ASP H H 39 7.712 8.491 -0.779 2
1 239 . 1 1 A 39 39 ASP HA H 39 4.578 4.717 -0.139 2
1 242 . 1 1 A 39 39 ASP CA C 39 52.907 57.576 -4.669 2
1 243 . 1 1 A 39 39 ASP CB C 39 41.519 38.189 3.330 2
1 244 . 1 1 A 39 39 ASP N N 39 114.785 116.566 -1.781 2
1 245 . 1 1 A 40 40 LYS H H 40 8.386 8.081 0.305 2
1 246 . 1 1 A 40 40 LYS HA H 40 3.604 4.465 -0.861 2
1 255 . 1 1 A 40 40 LYS CA C 40 54.835 58.559 -3.724 2
1 256 . 1 1 A 40 40 LYS CB C 40 29.039 29.341 -0.302 2
1 260 . 1 1 A 40 40 LYS N N 40 119.226 118.857 0.369 2
1 261 . 1 1 A 41 41 ASP H H 41 7.523 7.612 -0.089 2
1 262 . 1 1 A 41 41 ASP HA H 41 4.376 4.020 0.356 2
1 265 . 1 1 A 41 41 ASP CA C 41 54.330 63.217 -8.887 2
1 266 . 1 1 A 41 41 ASP CB C 41 42.108 68.609 -26.501 2
1 267 . 1 1 A 41 41 ASP N N 41 119.226 110.331 8.895 2
1 268 . 1 1 A 42 42 ALA H H 42 9.017 7.677 1.340 2
1 269 . 1 1 A 42 42 ALA HA H 42 3.860 4.201 -0.341 2
1 273 . 1 1 A 42 42 ALA CA C 42 55.680 59.359 -3.679 2
1 274 . 1 1 A 42 42 ALA CB C 42 19.315 38.805 -19.490 2
1 275 . 1 1 A 42 42 ALA N N 42 130.822 124.115 6.707 2
1 277 . 1 1 A 43 43 ASN HA H 43 4.386 4.145 0.241 2
1 280 . 1 1 A 43 43 ASN CA C 43 56.511 64.374 -7.863 2
1 281 . 1 1 A 43 43 ASN CB C 43 38.255 31.102 7.153 2
1 282 . 1 1 A 43 43 ASN N N 43 114.785 140.370 -25.585 2
1 283 . 1 1 A 44 44 VAL H H 44 7.510 8.014 -0.504 2
1 284 . 1 1 A 44 44 VAL HA H 44 3.601 4.443 -0.842 2
1 292 . 1 1 A 44 44 VAL CA C 44 66.228 58.706 7.522 2
1 293 . 1 1 A 44 44 VAL CB C 44 33.117 38.045 -4.928 2
1 296 . 1 1 A 44 44 VAL N N 44 123.173 117.028 6.145 2
1 297 . 1 1 A 45 45 ILE H H 45 8.084 8.172 -0.088 2
1 308 . 1 1 A 45 45 ILE CA C 45 65.113 47.192 17.921 2
1 313 . 1 1 A 45 45 ILE N N 45 120.213 108.555 11.658 2
1 314 . 1 1 A 46 46 LYS H H 46 8.393 8.210 0.183 2
1 315 . 1 1 A 46 46 LYS HA H 46 3.809 4.097 -0.288 2
1 320 . 1 1 A 46 46 LYS CA C 46 62.030 65.582 -3.552 2
1 321 . 1 1 A 46 46 LYS CB C 46 32.915 68.308 -35.393 2
1 324 . 1 1 A 46 46 LYS N N 46 118.239 116.180 2.059 2
1 325 . 1 1 A 47 47 LYS H H 47 7.469 8.071 -0.602 2
1 326 . 1 1 A 47 47 LYS HA H 47 4.128 4.035 0.093 2
1 332 . 1 1 A 47 47 LYS CA C 47 59.824 59.721 0.103 2
1 333 . 1 1 A 47 47 LYS CB C 47 32.656 29.948 2.708 2
1 337 . 1 1 A 47 47 LYS N N 47 119.719 122.229 -2.510 2
1 338 . 1 1 A 48 48 ASP H H 48 8.697 8.598 0.099 2
1 339 . 1 1 A 48 48 ASP HA H 48 4.483 4.148 0.335 2
1 342 . 1 1 A 48 48 ASP CA C 48 57.054 59.356 -2.302 2
1 343 . 1 1 A 48 48 ASP CB C 48 40.422 28.865 11.557 2
1 344 . 1 1 A 48 48 ASP N N 48 122.433 118.533 3.900 2
1 345 . 1 1 A 49 49 PHE H H 49 9.328 8.404 0.924 2
1 346 . 1 1 A 49 49 PHE HA H 49 3.820 4.635 -0.815 2
1 351 . 1 1 A 49 49 PHE CA C 49 62.071 59.939 2.132 2
1 352 . 1 1 A 49 49 PHE CB C 49 39.041 41.953 -2.912 2
1 353 . 1 1 A 49 49 PHE N N 49 120.502 118.782 1.720 2
1 354 . 1 1 A 50 50 ASP H H 50 8.603 8.320 0.283 2
1 355 . 1 1 A 50 50 ASP HA H 50 3.855 4.551 -0.696 2
1 358 . 1 1 A 50 50 ASP CA C 50 57.655 56.759 0.896 2
1 359 . 1 1 A 50 50 ASP CB C 50 41.246 40.936 0.310 2
1 360 . 1 1 A 50 50 ASP N N 50 120.706 121.763 -1.057 2
1 361 . 1 1 A 51 51 ALA H H 51 7.510 7.755 -0.245 2
1 362 . 1 1 A 51 51 ALA HA H 51 3.982 4.539 -0.557 2
1 366 . 1 1 A 51 51 ALA CA C 51 56.311 56.844 -0.533 2
1 367 . 1 1 A 51 51 ALA CB C 51 18.201 29.867 -11.666 2
1 368 . 1 1 A 51 51 ALA N N 51 117.499 118.025 -0.526 2
1 369 . 1 1 A 52 52 GLU H H 52 7.604 8.604 -1.000 2
1 370 . 1 1 A 52 52 GLU HA H 52 3.941 4.380 -0.439 2
1 374 . 1 1 A 52 52 GLU CA C 52 59.294 60.387 -1.093 2
1 375 . 1 1 A 52 52 GLU CB C 52 29.581 39.474 -9.893 2
1 377 . 1 1 A 52 52 GLU N N 52 118.979 120.274 -1.295 2
1 378 . 1 1 A 53 53 CYS H H 53 9.106 7.836 1.270 2
1 379 . 1 1 A 53 53 CYS HA H 53 3.502 3.726 -0.224 2
1 382 . 1 1 A 53 53 CYS CA C 53 60.943 63.469 -2.526 2
1 383 . 1 1 A 53 53 CYS CB C 53 37.388 31.314 6.074 2
1 384 . 1 1 A 53 53 CYS N N 53 120.292 115.722 4.570 2
1 385 . 1 1 A 54 54 LYS H H 54 7.888 7.838 0.050 2
1 386 . 1 1 A 54 54 LYS HA H 54 3.634 4.869 -1.235 2
1 394 . 1 1 A 54 54 LYS CA C 54 60.379 52.212 8.167 2
1 395 . 1 1 A 54 54 LYS CB C 54 32.093 38.880 -6.787 2
1 399 . 1 1 A 54 54 LYS N N 54 117.499 120.480 -2.981 2
1 400 . 1 1 A 55 55 LYS H H 55 7.300 7.979 -0.679 2
1 401 . 1 1 A 55 55 LYS HA H 55 4.028 4.540 -0.512 2
1 408 . 1 1 A 55 55 LYS CA C 55 59.571 58.795 0.776 2
1 409 . 1 1 A 55 55 LYS CB C 55 32.647 65.787 -33.140 2
1 412 . 1 1 A 55 55 LYS N N 55 120.213 116.702 3.511 2
1 413 . 1 1 A 56 56 LEU H H 56 8.074 8.010 0.064 2
1 414 . 1 1 A 56 56 LEU HA H 56 3.848 4.297 -0.449 2
1 424 . 1 1 A 56 56 LEU CA C 56 57.354 55.343 2.011 2
1 425 . 1 1 A 56 56 LEU CB C 56 41.816 32.724 9.092 2
1 429 . 1 1 A 56 56 LEU N N 56 119.719 118.099 1.620 2
1 430 . 1 1 A 57 57 PHE H H 57 8.054 7.512 0.542 2
1 431 . 1 1 A 57 57 PHE HA H 57 4.983 3.692 1.291 2
1 436 . 1 1 A 57 57 PHE CA C 57 56.470 64.770 -8.300 2
1 437 . 1 1 A 57 57 PHE CB C 57 37.916 31.847 6.069 2
1 438 . 1 1 A 57 57 PHE N N 57 113.798 118.114 -4.316 2
1 439 . 1 1 A 58 58 HIS H H 58 7.523 8.187 -0.664 2
1 440 . 1 1 A 58 58 HIS HA H 58 4.448 4.341 0.107 2
1 443 . 1 1 A 58 58 HIS CA C 58 59.037 59.146 -0.109 2
1 444 . 1 1 A 58 58 HIS CB C 58 27.942 38.743 -10.801 2
1 445 . 1 1 A 58 58 HIS N N 58 116.758 120.788 -4.030 2
1 447 . 1 1 A 59 59 THR HA H 59 4.085 4.436 -0.351 2
1 452 . 1 1 A 59 59 THR CA C 59 62.033 65.733 -3.700 2
1 453 . 1 1 A 59 59 THR CB C 59 68.425 30.589 37.836 2
1 455 . 1 1 A 59 59 THR N N 59 108.123 134.993 -26.870 2
1 456 . 1 1 A 60 60 ILE H H 60 7.540 7.423 0.117 2
1 457 . 1 1 A 60 60 ILE HA H 60 4.444 3.629 0.815 2
1 467 . 1 1 A 60 60 ILE CA C 60 58.167 64.573 -6.406 2
1 468 . 1 1 A 60 60 ILE CB C 60 38.745 37.805 0.940 2
1 472 . 1 1 A 60 60 ILE N N 60 124.900 116.286 8.614 2
1 473 . 1 1 A 61 61 PRO HA H 61 4.105 4.002 0.103 2
1 480 . 1 1 A 61 61 PRO CA C 61 64.800 64.315 0.485 2
1 481 . 1 1 A 61 61 PRO CB C 61 31.271 37.119 -5.848 2
1 484 . 1 1 A 62 62 PHE HA H 62 4.560 4.350 0.210 2
1 487 . 1 1 A 62 62 PHE CA C 62 58.476 58.886 -0.410 2
1 488 . 1 1 A 62 62 PHE CB C 62 37.121 28.883 8.238 2
1 489 . 1 1 A 63 63 GLY H H 63 8.543 8.055 0.488 2
1 492 . 1 1 A 63 63 GLY CA C 63 47.897 58.961 -11.064 2
1 493 . 1 1 A 63 63 GLY N N 63 110.590 121.251 -10.661 2
1 494 . 1 1 A 64 64 THR H H 64 8.513 8.083 0.430 2
1 495 . 1 1 A 64 64 THR HA H 64 4.206 4.262 -0.056 2
1 500 . 1 1 A 64 64 THR CA C 64 67.646 57.885 9.761 2
1 501 . 1 1 A 64 64 THR CB C 64 67.349 41.208 26.141 2
1 503 . 1 1 A 64 64 THR N N 64 114.538 120.021 -5.483 2
1 504 . 1 1 A 65 65 ARG H H 65 7.519 8.862 -1.343 2
1 505 . 1 1 A 65 65 ARG HA H 65 4.177 4.180 -0.003 2
1 512 . 1 1 A 65 65 ARG CA C 65 55.799 59.191 -3.392 2
1 513 . 1 1 A 65 65 ARG CB C 65 30.146 29.109 1.037 2
1 516 . 1 1 A 65 65 ARG N N 65 121.940 118.709 3.231 2
1 517 . 1 1 A 66 66 GLU H H 66 8.453 8.159 0.294 2
1 523 . 1 1 A 66 66 GLU CA C 66 58.981 46.568 12.413 2
1 526 . 1 1 A 66 66 GLU N N 66 120.459 108.261 12.198 2
1 527 . 1 1 A 67 67 CYS H H 67 8.467 7.939 0.528 2
1 531 . 1 1 A 67 67 CYS CA C 67 59.277 45.127 14.150 2
1 533 . 1 1 A 67 67 CYS N N 67 121.446 106.620 14.826 2
1 534 . 1 1 A 68 68 ASP H H 68 8.002 7.751 0.251 2
1 535 . 1 1 A 68 68 ASP HA H 68 4.514 4.362 0.152 2
1 538 . 1 1 A 68 68 ASP CA C 68 57.902 62.099 -4.197 2
1 539 . 1 1 A 68 68 ASP CB C 68 40.393 70.217 -29.824 2
1 540 . 1 1 A 68 68 ASP N N 68 120.459 115.726 4.733 2
1 541 . 1 1 A 69 69 HIS H H 69 8.564 8.664 -0.100 2
1 542 . 1 1 A 69 69 HIS HA H 69 4.510 4.585 -0.075 2
1 545 . 1 1 A 69 69 HIS CA C 69 58.127 50.685 7.442 2
1 546 . 1 1 A 69 69 HIS CB C 69 28.480 18.762 9.718 2
1 547 . 1 1 A 69 69 HIS N N 69 119.246 127.219 -7.973 2
1 549 . 1 1 A 70 70 TYR HA H 70 3.706 4.561 -0.855 2
1 553 . 1 1 A 70 70 TYR CA C 70 63.989 64.193 -0.204 2
1 554 . 1 1 A 70 70 TYR CB C 70 40.145 31.783 8.362 2
1 555 . 1 1 A 70 70 TYR N N 70 125.887 134.125 -8.238 2
1 556 . 1 1 A 71 71 VAL H H 71 8.295 8.428 -0.133 2
1 557 . 1 1 A 71 71 VAL HA H 71 3.554 4.394 -0.840 2
1 565 . 1 1 A 71 71 VAL CA C 71 67.021 56.661 10.360 2
1 566 . 1 1 A 71 71 VAL CB C 71 32.084 32.740 -0.656 2
1 569 . 1 1 A 71 71 VAL N N 71 118.239 116.472 1.767 2
1 570 . 1 1 A 72 72 ASN H H 72 7.511 7.872 -0.361 2
1 571 . 1 1 A 72 72 ASN HA H 72 4.558 4.732 -0.174 2
1 574 . 1 1 A 72 72 ASN CA C 72 55.116 55.259 -0.143 2
1 575 . 1 1 A 72 72 ASN CB C 72 39.569 41.842 -2.273 2
1 576 . 1 1 A 72 72 ASN N N 72 116.018 118.512 -2.494 2
1 577 . 1 1 A 73 73 SER H H 73 7.709 7.716 -0.007 2
1 578 . 1 1 A 73 73 SER HA H 73 4.633 3.552 1.081 2
1 581 . 1 1 A 73 73 SER CA C 73 59.832 66.513 -6.681 2
1 582 . 1 1 A 73 73 SER CB C 73 65.899 31.378 34.521 2
1 583 . 1 1 A 73 73 SER N N 73 110.837 119.412 -8.575 2
1 584 . 1 1 A 74 74 LYS H H 74 7.942 7.933 0.009 2
1 585 . 1 1 A 74 74 LYS HA H 74 4.280 4.711 -0.431 2
1 593 . 1 1 A 74 74 LYS CA C 74 55.124 56.330 -1.206 2
1 594 . 1 1 A 74 74 LYS CB C 74 33.198 40.957 -7.759 2
1 598 . 1 1 A 74 74 LYS N N 74 120.706 115.826 4.880 2
1 599 . 1 1 A 75 75 VAL H H 75 7.227 8.490 -1.263 2
1 600 . 1 1 A 75 75 VAL HA H 75 3.315 4.538 -1.223 2
1 608 . 1 1 A 75 75 VAL CA C 75 67.599 63.644 3.955 2
1 609 . 1 1 A 75 75 VAL CB C 75 31.540 70.713 -39.173 2
1 612 . 1 1 A 75 75 VAL N N 75 120.147 115.475 4.672 2
1 613 . 1 1 A 76 76 ASP H H 76 8.851 8.206 0.645 2
1 614 . 1 1 A 76 76 ASP HA H 76 4.402 4.103 0.299 2
1 617 . 1 1 A 76 76 ASP CA C 76 59.568 59.132 0.436 2
1 618 . 1 1 A 76 76 ASP CB C 76 37.667 32.236 5.431 2
1 619 . 1 1 A 76 76 ASP N N 76 117.992 120.877 -2.885 2
1 620 . 1 1 A 77 77 PRO HA H 77 4.158 4.316 -0.158 2
1 626 . 1 1 A 77 77 PRO CA C 77 66.237 55.042 11.195 2
1 627 . 1 1 A 77 77 PRO CB C 77 31.347 42.031 -10.684 2
1 630 . 1 1 A 78 78 ILE H H 78 7.243 8.077 -0.834 2
1 631 . 1 1 A 78 78 ILE HA H 78 3.315 4.428 -1.113 2
1 641 . 1 1 A 78 78 ILE CA C 78 65.957 54.457 11.500 2
1 642 . 1 1 A 78 78 ILE CB C 78 38.787 37.295 1.492 2
1 646 . 1 1 A 78 78 ILE N N 78 119.472 115.820 3.652 2
1 647 . 1 1 A 79 79 ILE H H 79 8.180 8.247 -0.067 2
1 648 . 1 1 A 79 79 ILE HA H 79 3.218 4.326 -1.108 2
1 658 . 1 1 A 79 79 ILE CA C 79 65.939 57.209 8.730 2
1 659 . 1 1 A 79 79 ILE CB C 79 37.344 29.372 7.972 2
1 663 . 1 1 A 79 79 ILE N N 79 119.472 116.137 3.335 2
1 664 . 1 1 A 80 80 HIS H H 80 8.671 7.905 0.766 2
1 665 . 1 1 A 80 80 HIS HA H 80 4.351 4.728 -0.377 2
1 670 . 1 1 A 80 80 HIS CA C 80 58.731 56.175 2.556 2
1 671 . 1 1 A 80 80 HIS CB C 80 27.913 43.687 -15.774 2
1 672 . 1 1 A 80 80 HIS N N 80 117.252 118.225 -0.973 2
stop_
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