data_10208_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10208
_Entry.PDB_ID 2EOX
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.484 45.065 0.419 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.025 4.205 -0.180 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.025 4.206 -0.181 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.529 172.354 2.175 1
1 5 . 1 1 1 A 8 8 THR N N 8 113.203 119.574 -6.371 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.121 8.902 -0.781 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.909 59.448 2.461 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.352 5.262 -0.910 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.714 72.182 -2.468 1
1 15 . 1 1 1 A 8 8 THR C C 8 174.447 171.948 2.499 1
1 16 . 1 1 1 A 9 9 ASP N N 9 122.758 127.449 -4.691 1
1 17 . 1 1 1 A 9 9 ASP H H 9 8.411 8.683 -0.272 1
1 18 . 1 1 1 A 9 9 ASP CA C 9 54.415 53.653 0.762 1
1 19 . 1 1 1 A 9 9 ASP HA H 9 4.660 5.123 -0.463 1
1 20 . 1 1 1 A 9 9 ASP CB C 9 41.177 43.310 -2.133 1
1 23 . 1 1 1 A 9 9 ASP C C 9 176.142 174.182 1.960 1
1 24 . 1 1 1 A 10 10 SER N N 10 116.278 120.553 -4.275 1
1 25 . 1 1 1 A 10 10 SER H H 10 8.205 8.913 -0.708 1
1 26 . 1 1 1 A 10 10 SER CA C 10 58.390 56.594 1.796 1
1 27 . 1 1 1 A 10 10 SER HA H 10 4.400 5.330 -0.930 1
1 28 . 1 1 1 A 10 10 SER CB C 10 63.777 65.223 -1.446 1
1 31 . 1 1 1 A 10 10 SER C C 10 174.207 173.507 0.700 1
1 32 . 1 1 1 A 11 11 LYS N N 11 123.340 124.355 -1.015 1
1 33 . 1 1 1 A 11 11 LYS H H 11 8.288 8.393 -0.105 1
1 34 . 1 1 1 A 11 11 LYS CA C 11 55.992 56.511 -0.519 1
1 35 . 1 1 1 A 11 11 LYS HA H 11 4.254 4.028 0.226 1
1 36 . 1 1 1 A 11 11 LYS CB C 11 33.080 32.624 0.456 1
1 48 . 1 1 1 A 11 11 LYS C C 11 175.464 176.658 -1.194 1
1 49 . 1 1 1 A 12 12 SER N N 12 115.376 118.191 -2.815 1
1 50 . 1 1 1 A 12 12 SER H H 12 7.783 8.754 -0.971 1
1 51 . 1 1 1 A 12 12 SER CA C 12 57.470 57.741 -0.271 1
1 52 . 1 1 1 A 12 12 SER HA H 12 4.484 4.998 -0.514 1
1 53 . 1 1 1 A 12 12 SER CB C 12 64.666 65.512 -0.846 1
1 56 . 1 1 1 A 12 12 SER C C 12 172.585 172.235 0.350 1
1 57 . 1 1 1 A 13 13 TYR N N 13 122.308 125.778 -3.470 1
1 58 . 1 1 1 A 13 13 TYR H H 13 8.678 8.849 -0.171 1
1 59 . 1 1 1 A 13 13 TYR CA C 13 57.124 57.469 -0.345 1
1 60 . 1 1 1 A 13 13 TYR HA H 13 4.644 5.160 -0.516 1
1 61 . 1 1 1 A 13 13 TYR CB C 13 39.856 39.660 0.196 1
1 72 . 1 1 1 A 13 13 TYR C C 13 174.849 175.631 -0.782 1
1 73 . 1 1 1 A 14 14 ASN N N 14 121.239 120.376 0.863 1
1 74 . 1 1 1 A 14 14 ASN H H 14 8.692 9.350 -0.658 1
1 75 . 1 1 1 A 14 14 ASN CA C 14 52.525 51.261 1.264 1
1 76 . 1 1 1 A 14 14 ASN HA H 14 5.463 5.799 -0.336 1
1 77 . 1 1 1 A 14 14 ASN CB C 14 40.600 42.339 -1.739 1
1 83 . 1 1 1 A 14 14 ASN C C 14 174.400 173.682 0.718 1
1 84 . 1 1 1 A 15 15 CYS N N 15 124.052 121.824 2.228 1
1 85 . 1 1 1 A 15 15 CYS H H 15 9.215 9.515 -0.300 1
1 86 . 1 1 1 A 15 15 CYS CA C 15 59.463 59.647 -0.184 1
1 87 . 1 1 1 A 15 15 CYS HA H 15 4.541 4.638 -0.097 1
1 88 . 1 1 1 A 15 15 CYS CB C 15 29.688 28.469 1.219 1
1 91 . 1 1 1 A 15 15 CYS C C 15 177.069 176.631 0.438 1
1 92 . 1 1 1 A 16 16 ASN N N 16 130.116 123.880 6.236 1
1 93 . 1 1 1 A 16 16 ASN H H 16 9.386 9.025 0.361 1
1 94 . 1 1 1 A 16 16 ASN CA C 16 55.613 53.295 2.318 1
1 95 . 1 1 1 A 16 16 ASN HA H 16 4.515 4.712 -0.197 1
1 96 . 1 1 1 A 16 16 ASN CB C 16 38.236 37.133 1.103 1
1 102 . 1 1 1 A 16 16 ASN C C 16 175.385 174.801 0.584 1
1 103 . 1 1 1 A 17 17 GLU N N 17 120.832 117.863 2.969 1
1 104 . 1 1 1 A 17 17 GLU H H 17 8.687 8.066 0.621 1
1 105 . 1 1 1 A 17 17 GLU CA C 17 58.362 57.544 0.818 1
1 106 . 1 1 1 A 17 17 GLU HA H 17 4.224 4.341 -0.117 1
1 107 . 1 1 1 A 17 17 GLU CB C 17 29.626 30.259 -0.633 1
1 113 . 1 1 1 A 17 17 GLU C C 17 177.037 177.918 -0.881 1
1 114 . 1 1 1 A 18 18 CYS N N 18 114.739 115.467 -0.728 1
1 115 . 1 1 1 A 18 18 CYS H H 18 7.888 8.194 -0.306 1
1 116 . 1 1 1 A 18 18 CYS CA C 18 58.338 59.780 -1.442 1
1 117 . 1 1 1 A 18 18 CYS HA H 18 5.145 4.742 0.403 1
1 118 . 1 1 1 A 18 18 CYS CB C 18 32.372 30.004 2.368 1
1 121 . 1 1 1 A 18 18 CYS C C 18 176.190 175.440 0.750 1
1 122 . 1 1 1 A 19 19 GLY N N 19 113.385 109.550 3.835 1
1 123 . 1 1 1 A 19 19 GLY H H 19 8.188 7.947 0.241 1
1 124 . 1 1 1 A 19 19 GLY CA C 19 46.207 45.689 0.518 1
1 125 . 1 1 1 A 19 19 GLY HA2 H 19 3.890 4.047 -0.157 1
1 126 . 1 1 1 A 19 19 GLY HA3 H 19 4.212 4.051 0.161 1
1 127 . 1 1 1 A 19 19 GLY C C 19 174.091 173.811 0.280 1
1 128 . 1 1 1 A 20 20 LYS N N 20 123.027 119.964 3.063 1
1 129 . 1 1 1 A 20 20 LYS H H 20 7.879 7.609 0.270 1
1 130 . 1 1 1 A 20 20 LYS CA C 20 58.200 54.907 3.293 1
1 131 . 1 1 1 A 20 20 LYS HA H 20 3.916 4.773 -0.857 1
1 132 . 1 1 1 A 20 20 LYS CB C 20 33.874 35.149 -1.275 1
1 144 . 1 1 1 A 20 20 LYS C C 20 173.619 174.383 -0.764 1
1 145 . 1 1 1 A 21 21 ALA N N 21 124.096 129.241 -5.145 1
1 146 . 1 1 1 A 21 21 ALA H H 21 7.788 8.722 -0.934 1
1 147 . 1 1 1 A 21 21 ALA CA C 21 50.996 50.203 0.793 1
1 148 . 1 1 1 A 21 21 ALA HA H 21 4.931 5.257 -0.326 1
1 149 . 1 1 1 A 21 21 ALA CB C 21 21.943 20.843 1.100 1
1 153 . 1 1 1 A 21 21 ALA C C 21 176.797 176.364 0.433 1
1 154 . 1 1 1 A 22 22 PHE N N 22 117.342 119.324 -1.982 1
1 155 . 1 1 1 A 22 22 PHE H H 22 8.610 9.280 -0.670 1
1 156 . 1 1 1 A 22 22 PHE CA C 22 57.093 56.893 0.200 1
1 157 . 1 1 1 A 22 22 PHE HA H 22 4.858 5.005 -0.147 1
1 158 . 1 1 1 A 22 22 PHE CB C 22 43.718 42.970 0.748 1
1 171 . 1 1 1 A 22 22 PHE C C 22 175.933 175.857 0.076 1
1 172 . 1 1 1 A 23 23 THR CA C 23 62.823 64.394 -1.571 1
1 173 . 1 1 1 A 23 23 THR HA H 23 4.685 4.419 0.266 1
1 174 . 1 1 1 A 23 23 THR CB C 23 69.904 69.496 0.408 1
1 180 . 1 1 1 A 23 23 THR C C 23 175.088 175.058 0.030 1
1 181 . 1 1 1 A 24 24 ARG N N 24 116.983 119.095 -2.112 1
1 182 . 1 1 1 A 24 24 ARG H H 24 7.249 7.807 -0.558 1
1 183 . 1 1 1 A 24 24 ARG CA C 24 53.376 54.284 -0.908 1
1 184 . 1 1 1 A 24 24 ARG HA H 24 4.789 4.788 0.001 1
1 185 . 1 1 1 A 24 24 ARG CB C 24 33.354 32.108 1.246 1
1 194 . 1 1 1 A 24 24 ARG C C 24 177.127 177.012 0.115 1
1 195 . 1 1 1 A 25 25 ILE N N 25 126.047 124.296 1.751 1
1 196 . 1 1 1 A 25 25 ILE H H 25 8.578 8.461 0.117 1
1 197 . 1 1 1 A 25 25 ILE CA C 25 63.728 62.679 1.049 1
1 198 . 1 1 1 A 25 25 ILE HA H 25 3.203 3.555 -0.352 1
1 199 . 1 1 1 A 25 25 ILE CB C 25 37.142 38.645 -1.503 1
1 212 . 1 1 1 A 25 25 ILE C C 25 176.844 177.261 -0.417 1
1 213 . 1 1 1 A 26 26 PHE CA C 26 59.118 59.500 -0.382 1
1 214 . 1 1 1 A 26 26 PHE HA H 26 4.429 4.340 0.089 1
1 215 . 1 1 1 A 26 26 PHE CB C 26 38.494 37.762 0.732 1
1 224 . 1 1 1 A 26 26 PHE C C 26 177.609 177.493 0.116 1
1 225 . 1 1 1 A 27 27 HIS N N 27 117.282 120.393 -3.111 1
1 226 . 1 1 1 A 27 27 HIS H H 27 6.564 7.422 -0.858 1
1 227 . 1 1 1 A 27 27 HIS CA C 27 57.363 59.214 -1.851 1
1 228 . 1 1 1 A 27 27 HIS HA H 27 4.358 3.809 0.549 1
1 229 . 1 1 1 A 27 27 HIS CB C 27 31.719 29.431 2.288 1
1 234 . 1 1 1 A 27 27 HIS C C 27 178.164 176.538 1.626 1
1 235 . 1 1 1 A 28 28 LEU N N 28 122.177 120.148 2.029 1
1 236 . 1 1 1 A 28 28 LEU H H 28 7.044 7.633 -0.589 1
1 237 . 1 1 1 A 28 28 LEU CA C 28 58.040 57.212 0.828 1
1 238 . 1 1 1 A 28 28 LEU HA H 28 3.196 2.883 0.313 1
1 239 . 1 1 1 A 28 28 LEU CB C 28 40.283 41.522 -1.239 1
1 252 . 1 1 1 A 28 28 LEU C C 28 177.790 178.386 -0.596 1
1 253 . 1 1 1 A 29 29 THR N N 29 114.476 114.865 -0.389 1
1 254 . 1 1 1 A 29 29 THR H H 29 8.616 7.739 0.877 1
1 255 . 1 1 1 A 29 29 THR CA C 29 66.015 66.666 -0.651 1
1 256 . 1 1 1 A 29 29 THR HA H 29 3.943 3.874 0.069 1
1 257 . 1 1 1 A 29 29 THR CB C 29 68.316 68.225 0.091 1
1 263 . 1 1 1 A 29 29 THR C C 29 177.269 176.587 0.682 1
1 264 . 1 1 1 A 30 30 ARG N N 30 120.519 120.358 0.161 1
1 265 . 1 1 1 A 30 30 ARG H H 30 7.354 8.048 -0.694 1
1 266 . 1 1 1 A 30 30 ARG CA C 30 59.260 57.752 1.508 1
1 267 . 1 1 1 A 30 30 ARG HA H 30 3.948 4.206 -0.258 1
1 268 . 1 1 1 A 30 30 ARG CB C 30 30.125 29.503 0.622 1
1 277 . 1 1 1 A 30 30 ARG C C 30 178.650 177.889 0.761 1
1 278 . 1 1 1 A 31 31 HIS N N 31 119.426 119.655 -0.229 1
1 279 . 1 1 1 A 31 31 HIS H H 31 7.522 8.009 -0.487 1
1 280 . 1 1 1 A 31 31 HIS CA C 31 59.079 58.455 0.624 1
1 281 . 1 1 1 A 31 31 HIS HA H 31 4.191 4.281 -0.090 1
1 282 . 1 1 1 A 31 31 HIS CB C 31 28.539 30.104 -1.565 1
1 289 . 1 1 1 A 31 31 HIS C C 31 176.154 177.272 -1.118 1
1 290 . 1 1 1 A 32 32 GLN N N 32 114.933 118.417 -3.484 1
1 291 . 1 1 1 A 32 32 GLN H H 32 8.342 8.010 0.332 1
1 292 . 1 1 1 A 32 32 GLN CA C 32 59.352 57.841 1.511 1
1 293 . 1 1 1 A 32 32 GLN HA H 32 3.629 4.088 -0.459 1
1 294 . 1 1 1 A 32 32 GLN CB C 32 28.360 28.640 -0.280 1
1 303 . 1 1 1 A 32 32 GLN C C 32 177.376 178.141 -0.765 1
1 304 . 1 1 1 A 33 33 LYS N N 33 117.471 119.440 -1.969 1
1 305 . 1 1 1 A 33 33 LYS H H 33 7.047 7.915 -0.868 1
1 306 . 1 1 1 A 33 33 LYS CA C 33 58.359 59.545 -1.186 1
1 307 . 1 1 1 A 33 33 LYS HA H 33 4.059 4.063 -0.004 1
1 308 . 1 1 1 A 33 33 LYS CB C 33 32.214 32.520 -0.306 1
1 320 . 1 1 1 A 33 33 LYS C C 33 178.607 179.293 -0.686 1
1 321 . 1 1 1 A 34 34 ILE N N 34 115.534 116.393 -0.859 1
1 322 . 1 1 1 A 34 34 ILE H H 34 7.799 7.257 0.542 1
1 323 . 1 1 1 A 34 34 ILE CA C 34 62.935 64.054 -1.119 1
1 324 . 1 1 1 A 34 34 ILE HA H 34 3.978 3.869 0.109 1
1 325 . 1 1 1 A 34 34 ILE CB C 34 37.719 37.070 0.649 1
1 338 . 1 1 1 A 34 34 ILE C C 34 177.151 178.039 -0.888 1
1 339 . 1 1 1 A 35 35 HIS N N 35 117.940 119.361 -1.421 1
1 340 . 1 1 1 A 35 35 HIS H H 35 7.211 7.469 -0.258 1
1 341 . 1 1 1 A 35 35 HIS CA C 35 54.796 59.112 -4.316 1
1 342 . 1 1 1 A 35 35 HIS HA H 35 4.831 4.333 0.498 1
1 343 . 1 1 1 A 35 35 HIS CB C 35 28.553 29.893 -1.340 1
1 350 . 1 1 1 A 35 35 HIS C C 35 175.116 176.296 -1.180 1
1 351 . 1 1 1 A 36 36 THR N N 36 113.656 112.338 1.318 1
1 352 . 1 1 1 A 36 36 THR H H 36 7.712 7.454 0.258 1
1 353 . 1 1 1 A 36 36 THR CA C 36 62.445 63.209 -0.764 1
1 354 . 1 1 1 A 36 36 THR HA H 36 4.288 4.136 0.152 1
1 355 . 1 1 1 A 36 36 THR CB C 36 69.822 69.534 0.288 1
1 361 . 1 1 1 A 36 36 THR C C 36 174.481 173.428 1.053 1
1 362 . 1 1 1 A 37 37 ARG N N 37 123.945 125.311 -1.366 1
1 363 . 1 1 1 A 37 37 ARG H H 37 8.264 9.084 -0.820 1
1 364 . 1 1 1 A 37 37 ARG CA C 37 56.202 53.539 2.663 1
1 365 . 1 1 1 A 37 37 ARG HA H 37 4.357 5.170 -0.813 1
1 366 . 1 1 1 A 37 37 ARG CB C 37 30.808 34.055 -3.247 1
1 375 . 1 1 1 A 38 38 LYS N N 38 128.503 117.357 11.146 1
1 376 . 1 1 1 A 38 38 LYS H H 38 8.048 8.821 -0.773 1
1 377 . 1 1 1 A 38 38 LYS CA C 38 57.651 54.184 3.467 1
1 378 . 1 1 1 A 38 38 LYS HA H 38 4.147 5.230 -1.083 1
1 379 . 1 1 1 A 38 38 LYS CB C 38 33.710 36.547 -2.837 1
1 391 . 1 1 1 A 40 40 GLY CA C 40 44.605 46.115 -1.510 1
1 392 . 1 1 1 A 40 40 GLY HA2 H 40 4.130 4.221 -0.091 1
1 393 . 1 1 1 A 40 40 GLY HA3 H 40 4.130 4.221 -0.091 1
1 394 . 1 1 1 A 41 41 PRO CA C 41 63.289 62.793 0.496 1
1 395 . 1 1 1 A 41 41 PRO HA H 41 4.468 4.641 -0.173 1
1 396 . 1 1 1 A 41 41 PRO CB C 41 32.206 32.374 -0.168 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.484 45.442 0.042 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.025 3.957 0.068 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.025 3.957 0.068 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.529 173.072 1.457 1
1 5 . 2 1 1 A 8 8 THR N N 8 113.203 119.448 -6.245 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.121 8.606 -0.485 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.909 62.344 -0.435 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.352 4.286 0.066 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.714 69.550 0.164 1
1 15 . 2 1 1 A 8 8 THR C C 8 174.447 173.430 1.017 1
1 16 . 2 1 1 A 9 9 ASP N N 9 122.758 127.034 -4.276 1
1 17 . 2 1 1 A 9 9 ASP H H 9 8.411 8.518 -0.107 1
1 18 . 2 1 1 A 9 9 ASP CA C 9 54.415 53.581 0.834 1
1 19 . 2 1 1 A 9 9 ASP HA H 9 4.660 5.020 -0.360 1
1 20 . 2 1 1 A 9 9 ASP CB C 9 41.177 40.810 0.367 1
1 23 . 2 1 1 A 9 9 ASP C C 9 176.142 174.950 1.192 1
1 24 . 2 1 1 A 10 10 SER N N 10 116.278 119.471 -3.193 1
1 25 . 2 1 1 A 10 10 SER H H 10 8.205 8.599 -0.394 1
1 26 . 2 1 1 A 10 10 SER CA C 10 58.390 57.497 0.893 1
1 27 . 2 1 1 A 10 10 SER HA H 10 4.400 5.072 -0.672 1
1 28 . 2 1 1 A 10 10 SER CB C 10 63.777 67.045 -3.268 1
1 31 . 2 1 1 A 10 10 SER C C 10 174.207 173.159 1.048 1
1 32 . 2 1 1 A 11 11 LYS N N 11 123.340 118.951 4.389 1
1 33 . 2 1 1 A 11 11 LYS H H 11 8.288 8.858 -0.570 1
1 34 . 2 1 1 A 11 11 LYS CA C 11 55.992 54.199 1.793 1
1 35 . 2 1 1 A 11 11 LYS HA H 11 4.254 5.169 -0.915 1
1 36 . 2 1 1 A 11 11 LYS CB C 11 33.080 36.980 -3.900 1
1 48 . 2 1 1 A 11 11 LYS C C 11 175.464 174.643 0.821 1
1 49 . 2 1 1 A 12 12 SER N N 12 115.376 114.727 0.649 1
1 50 . 2 1 1 A 12 12 SER H H 12 7.783 8.429 -0.646 1
1 51 . 2 1 1 A 12 12 SER CA C 12 57.470 56.859 0.611 1
1 52 . 2 1 1 A 12 12 SER HA H 12 4.484 5.197 -0.713 1
1 53 . 2 1 1 A 12 12 SER CB C 12 64.666 66.210 -1.544 1
1 56 . 2 1 1 A 12 12 SER C C 12 172.585 172.262 0.323 1
1 57 . 2 1 1 A 13 13 TYR N N 13 122.308 123.031 -0.723 1
1 58 . 2 1 1 A 13 13 TYR H H 13 8.678 8.964 -0.286 1
1 59 . 2 1 1 A 13 13 TYR CA C 13 57.124 56.530 0.594 1
1 60 . 2 1 1 A 13 13 TYR HA H 13 4.644 5.148 -0.504 1
1 61 . 2 1 1 A 13 13 TYR CB C 13 39.856 40.751 -0.895 1
1 72 . 2 1 1 A 13 13 TYR C C 13 174.849 175.180 -0.331 1
1 73 . 2 1 1 A 14 14 ASN N N 14 121.239 119.700 1.539 1
1 74 . 2 1 1 A 14 14 ASN H H 14 8.692 9.025 -0.333 1
1 75 . 2 1 1 A 14 14 ASN CA C 14 52.525 52.270 0.255 1
1 76 . 2 1 1 A 14 14 ASN HA H 14 5.463 5.608 -0.145 1
1 77 . 2 1 1 A 14 14 ASN CB C 14 40.600 42.490 -1.890 1
1 83 . 2 1 1 A 14 14 ASN C C 14 174.400 174.664 -0.264 1
1 84 . 2 1 1 A 15 15 CYS N N 15 124.052 122.902 1.150 1
1 85 . 2 1 1 A 15 15 CYS H H 15 9.215 8.825 0.390 1
1 86 . 2 1 1 A 15 15 CYS CA C 15 59.463 58.240 1.223 1
1 87 . 2 1 1 A 15 15 CYS HA H 15 4.541 4.596 -0.055 1
1 88 . 2 1 1 A 15 15 CYS CB C 15 29.688 26.706 2.982 1
1 91 . 2 1 1 A 15 15 CYS C C 15 177.069 175.372 1.697 1
1 92 . 2 1 1 A 16 16 ASN N N 16 130.116 124.745 5.371 1
1 93 . 2 1 1 A 16 16 ASN H H 16 9.386 8.672 0.714 1
1 94 . 2 1 1 A 16 16 ASN CA C 16 55.613 56.246 -0.633 1
1 95 . 2 1 1 A 16 16 ASN HA H 16 4.515 4.435 0.080 1
1 96 . 2 1 1 A 16 16 ASN CB C 16 38.236 37.918 0.318 1
1 102 . 2 1 1 A 16 16 ASN C C 16 175.385 177.669 -2.284 1
1 103 . 2 1 1 A 17 17 GLU N N 17 120.832 118.722 2.110 1
1 104 . 2 1 1 A 17 17 GLU H H 17 8.687 8.348 0.339 1
1 105 . 2 1 1 A 17 17 GLU CA C 17 58.362 59.452 -1.090 1
1 106 . 2 1 1 A 17 17 GLU HA H 17 4.224 4.030 0.194 1
1 107 . 2 1 1 A 17 17 GLU CB C 17 29.626 29.046 0.580 1
1 113 . 2 1 1 A 17 17 GLU C C 17 177.037 178.005 -0.968 1
1 114 . 2 1 1 A 18 18 CYS N N 18 114.739 115.153 -0.414 1
1 115 . 2 1 1 A 18 18 CYS H H 18 7.888 8.287 -0.399 1
1 116 . 2 1 1 A 18 18 CYS CA C 18 58.338 59.641 -1.303 1
1 117 . 2 1 1 A 18 18 CYS HA H 18 5.145 4.680 0.465 1
1 118 . 2 1 1 A 18 18 CYS CB C 18 32.372 30.031 2.341 1
1 121 . 2 1 1 A 18 18 CYS C C 18 176.190 175.353 0.837 1
1 122 . 2 1 1 A 19 19 GLY N N 19 113.385 109.776 3.609 1
1 123 . 2 1 1 A 19 19 GLY H H 19 8.188 8.619 -0.431 1
1 124 . 2 1 1 A 19 19 GLY CA C 19 46.207 46.124 0.083 1
1 125 . 2 1 1 A 19 19 GLY HA2 H 19 3.890 4.008 -0.118 1
1 126 . 2 1 1 A 19 19 GLY HA3 H 19 4.212 4.014 0.198 1
1 127 . 2 1 1 A 19 19 GLY C C 19 174.091 173.910 0.181 1
1 128 . 2 1 1 A 20 20 LYS N N 20 123.027 120.208 2.819 1
1 129 . 2 1 1 A 20 20 LYS H H 20 7.879 7.695 0.184 1
1 130 . 2 1 1 A 20 20 LYS CA C 20 58.200 54.926 3.274 1
1 131 . 2 1 1 A 20 20 LYS HA H 20 3.916 4.709 -0.793 1
1 132 . 2 1 1 A 20 20 LYS CB C 20 33.874 35.565 -1.691 1
1 144 . 2 1 1 A 20 20 LYS C C 20 173.619 175.000 -1.381 1
1 145 . 2 1 1 A 21 21 ALA N N 21 124.096 129.601 -5.505 1
1 146 . 2 1 1 A 21 21 ALA H H 21 7.788 8.613 -0.825 1
1 147 . 2 1 1 A 21 21 ALA CA C 21 50.996 51.656 -0.660 1
1 148 . 2 1 1 A 21 21 ALA HA H 21 4.931 5.146 -0.215 1
1 149 . 2 1 1 A 21 21 ALA CB C 21 21.943 19.721 2.222 1
1 153 . 2 1 1 A 21 21 ALA C C 21 176.797 176.938 -0.141 1
1 154 . 2 1 1 A 22 22 PHE N N 22 117.342 118.948 -1.606 1
1 155 . 2 1 1 A 22 22 PHE H H 22 8.610 9.232 -0.622 1
1 156 . 2 1 1 A 22 22 PHE CA C 22 57.093 57.011 0.082 1
1 157 . 2 1 1 A 22 22 PHE HA H 22 4.858 4.788 0.070 1
1 158 . 2 1 1 A 22 22 PHE CB C 22 43.718 43.082 0.636 1
1 171 . 2 1 1 A 22 22 PHE C C 22 175.933 175.706 0.227 1
1 172 . 2 1 1 A 23 23 THR CA C 23 62.823 63.915 -1.092 1
1 173 . 2 1 1 A 23 23 THR HA H 23 4.685 4.327 0.358 1
1 174 . 2 1 1 A 23 23 THR CB C 23 69.904 70.033 -0.129 1
1 180 . 2 1 1 A 23 23 THR C C 23 175.088 173.934 1.154 1
1 181 . 2 1 1 A 24 24 ARG N N 24 116.983 118.138 -1.155 1
1 182 . 2 1 1 A 24 24 ARG H H 24 7.249 7.664 -0.415 1
1 183 . 2 1 1 A 24 24 ARG CA C 24 53.376 53.993 -0.617 1
1 184 . 2 1 1 A 24 24 ARG HA H 24 4.789 4.591 0.198 1
1 185 . 2 1 1 A 24 24 ARG CB C 24 33.354 33.878 -0.524 1
1 194 . 2 1 1 A 24 24 ARG C C 24 177.127 175.940 1.187 1
1 195 . 2 1 1 A 25 25 ILE N N 25 126.047 124.116 1.931 1
1 196 . 2 1 1 A 25 25 ILE H H 25 8.578 7.816 0.762 1
1 197 . 2 1 1 A 25 25 ILE CA C 25 63.728 63.383 0.345 1
1 198 . 2 1 1 A 25 25 ILE HA H 25 3.203 3.333 -0.130 1
1 199 . 2 1 1 A 25 25 ILE CB C 25 37.142 36.904 0.238 1
1 212 . 2 1 1 A 25 25 ILE C C 25 176.844 177.506 -0.662 1
1 213 . 2 1 1 A 26 26 PHE CA C 26 59.118 60.581 -1.463 1
1 214 . 2 1 1 A 26 26 PHE HA H 26 4.429 4.102 0.327 1
1 215 . 2 1 1 A 26 26 PHE CB C 26 38.494 39.120 -0.626 1
1 224 . 2 1 1 A 26 26 PHE C C 26 177.609 178.005 -0.396 1
1 225 . 2 1 1 A 27 27 HIS N N 27 117.282 117.370 -0.088 1
1 226 . 2 1 1 A 27 27 HIS H H 27 6.564 8.262 -1.698 1
1 227 . 2 1 1 A 27 27 HIS CA C 27 57.363 58.992 -1.629 1
1 228 . 2 1 1 A 27 27 HIS HA H 27 4.358 4.112 0.246 1
1 229 . 2 1 1 A 27 27 HIS CB C 27 31.719 29.843 1.876 1
1 234 . 2 1 1 A 27 27 HIS C C 27 178.164 177.254 0.910 1
1 235 . 2 1 1 A 28 28 LEU N N 28 122.177 119.778 2.399 1
1 236 . 2 1 1 A 28 28 LEU H H 28 7.044 7.229 -0.185 1
1 237 . 2 1 1 A 28 28 LEU CA C 28 58.040 57.819 0.221 1
1 238 . 2 1 1 A 28 28 LEU HA H 28 3.196 3.094 0.102 1
1 239 . 2 1 1 A 28 28 LEU CB C 28 40.283 41.281 -0.998 1
1 252 . 2 1 1 A 28 28 LEU C C 28 177.790 178.681 -0.891 1
1 253 . 2 1 1 A 29 29 THR N N 29 114.476 114.936 -0.460 1
1 254 . 2 1 1 A 29 29 THR H H 29 8.616 8.250 0.366 1
1 255 . 2 1 1 A 29 29 THR CA C 29 66.015 67.018 -1.003 1
1 256 . 2 1 1 A 29 29 THR HA H 29 3.943 3.922 0.021 1
1 257 . 2 1 1 A 29 29 THR CB C 29 68.316 68.312 0.004 1
1 263 . 2 1 1 A 29 29 THR C C 29 177.269 176.470 0.799 1
1 264 . 2 1 1 A 30 30 ARG N N 30 120.519 121.266 -0.747 1
1 265 . 2 1 1 A 30 30 ARG H H 30 7.354 7.758 -0.404 1
1 266 . 2 1 1 A 30 30 ARG CA C 30 59.260 59.630 -0.370 1
1 267 . 2 1 1 A 30 30 ARG HA H 30 3.948 3.964 -0.016 1
1 268 . 2 1 1 A 30 30 ARG CB C 30 30.125 29.532 0.593 1
1 277 . 2 1 1 A 30 30 ARG C C 30 178.650 178.365 0.285 1
1 278 . 2 1 1 A 31 31 HIS N N 31 119.426 119.992 -0.566 1
1 279 . 2 1 1 A 31 31 HIS H H 31 7.522 8.293 -0.771 1
1 280 . 2 1 1 A 31 31 HIS CA C 31 59.079 59.588 -0.509 1
1 281 . 2 1 1 A 31 31 HIS HA H 31 4.191 4.183 0.008 1
1 282 . 2 1 1 A 31 31 HIS CB C 31 28.539 29.946 -1.407 1
1 289 . 2 1 1 A 31 31 HIS C C 31 176.154 176.868 -0.714 1
1 290 . 2 1 1 A 32 32 GLN N N 32 114.933 117.344 -2.411 1
1 291 . 2 1 1 A 32 32 GLN H H 32 8.342 8.423 -0.081 1
1 292 . 2 1 1 A 32 32 GLN CA C 32 59.352 59.125 0.227 1
1 293 . 2 1 1 A 32 32 GLN HA H 32 3.629 3.864 -0.235 1
1 294 . 2 1 1 A 32 32 GLN CB C 32 28.360 28.328 0.032 1
1 303 . 2 1 1 A 32 32 GLN C C 32 177.376 178.470 -1.094 1
1 304 . 2 1 1 A 33 33 LYS N N 33 117.471 119.865 -2.394 1
1 305 . 2 1 1 A 33 33 LYS H H 33 7.047 8.009 -0.962 1
1 306 . 2 1 1 A 33 33 LYS CA C 33 58.359 59.020 -0.661 1
1 307 . 2 1 1 A 33 33 LYS HA H 33 4.059 3.967 0.092 1
1 308 . 2 1 1 A 33 33 LYS CB C 33 32.214 32.418 -0.204 1
1 320 . 2 1 1 A 33 33 LYS C C 33 178.607 179.165 -0.558 1
1 321 . 2 1 1 A 34 34 ILE N N 34 115.534 117.555 -2.021 1
1 322 . 2 1 1 A 34 34 ILE H H 34 7.799 7.894 -0.095 1
1 323 . 2 1 1 A 34 34 ILE CA C 34 62.935 63.773 -0.838 1
1 324 . 2 1 1 A 34 34 ILE HA H 34 3.978 3.727 0.251 1
1 325 . 2 1 1 A 34 34 ILE CB C 34 37.719 37.256 0.463 1
1 338 . 2 1 1 A 34 34 ILE C C 34 177.151 177.499 -0.348 1
1 339 . 2 1 1 A 35 35 HIS N N 35 117.940 120.069 -2.129 1
1 340 . 2 1 1 A 35 35 HIS H H 35 7.211 7.620 -0.409 1
1 341 . 2 1 1 A 35 35 HIS CA C 35 54.796 59.055 -4.259 1
1 342 . 2 1 1 A 35 35 HIS HA H 35 4.831 4.432 0.399 1
1 343 . 2 1 1 A 35 35 HIS CB C 35 28.553 31.118 -2.565 1
1 350 . 2 1 1 A 35 35 HIS C C 35 175.116 176.620 -1.504 1
1 351 . 2 1 1 A 36 36 THR N N 36 113.656 111.195 2.461 1
1 352 . 2 1 1 A 36 36 THR H H 36 7.712 7.492 0.220 1
1 353 . 2 1 1 A 36 36 THR CA C 36 62.445 61.337 1.108 1
1 354 . 2 1 1 A 36 36 THR HA H 36 4.288 4.362 -0.074 1
1 355 . 2 1 1 A 36 36 THR CB C 36 69.822 67.821 2.001 1
1 361 . 2 1 1 A 36 36 THR C C 36 174.481 173.543 0.938 1
1 362 . 2 1 1 A 37 37 ARG N N 37 123.945 124.637 -0.692 1
1 363 . 2 1 1 A 37 37 ARG H H 37 8.264 7.415 0.849 1
1 364 . 2 1 1 A 37 37 ARG CA C 37 56.202 55.213 0.989 1
1 365 . 2 1 1 A 37 37 ARG HA H 37 4.357 4.908 -0.551 1
1 366 . 2 1 1 A 37 37 ARG CB C 37 30.808 33.587 -2.779 1
1 375 . 2 1 1 A 38 38 LYS N N 38 128.503 126.458 2.045 1
1 376 . 2 1 1 A 38 38 LYS H H 38 8.048 8.487 -0.439 1
1 377 . 2 1 1 A 38 38 LYS CA C 38 57.651 55.592 2.059 1
1 378 . 2 1 1 A 38 38 LYS HA H 38 4.147 4.411 -0.264 1
1 379 . 2 1 1 A 38 38 LYS CB C 38 33.710 30.805 2.905 1
1 391 . 2 1 1 A 40 40 GLY CA C 40 44.605 44.954 -0.349 1
1 392 . 2 1 1 A 40 40 GLY HA2 H 40 4.130 3.969 0.161 1
1 393 . 2 1 1 A 40 40 GLY HA3 H 40 4.130 3.970 0.160 1
1 394 . 2 1 1 A 41 41 PRO CA C 41 63.289 63.615 -0.326 1
1 395 . 2 1 1 A 41 41 PRO HA H 41 4.468 4.517 -0.049 1
1 396 . 2 1 1 A 41 41 PRO CB C 41 32.206 32.100 0.106 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.484 47.109 -1.625 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.025 3.879 0.146 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.025 3.881 0.144 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.529 174.806 -0.277 1
1 5 . 3 1 1 A 8 8 THR N N 8 113.203 114.146 -0.943 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.121 8.284 -0.163 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.909 62.805 -0.896 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.352 4.355 -0.003 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.714 67.582 2.132 1
1 15 . 3 1 1 A 8 8 THR C C 8 174.447 173.342 1.105 1
1 16 . 3 1 1 A 9 9 ASP N N 9 122.758 126.719 -3.961 1
1 17 . 3 1 1 A 9 9 ASP H H 9 8.411 7.896 0.515 1
1 18 . 3 1 1 A 9 9 ASP CA C 9 54.415 52.683 1.732 1
1 19 . 3 1 1 A 9 9 ASP HA H 9 4.660 5.006 -0.346 1
1 20 . 3 1 1 A 9 9 ASP CB C 9 41.177 44.424 -3.247 1
1 23 . 3 1 1 A 9 9 ASP C C 9 176.142 175.771 0.371 1
1 24 . 3 1 1 A 10 10 SER N N 10 116.278 115.074 1.204 1
1 25 . 3 1 1 A 10 10 SER H H 10 8.205 8.867 -0.662 1
1 26 . 3 1 1 A 10 10 SER CA C 10 58.390 59.511 -1.121 1
1 27 . 3 1 1 A 10 10 SER HA H 10 4.400 4.397 0.003 1
1 28 . 3 1 1 A 10 10 SER CB C 10 63.777 63.602 0.175 1
1 31 . 3 1 1 A 10 10 SER C C 10 174.207 174.647 -0.440 1
1 32 . 3 1 1 A 11 11 LYS N N 11 123.340 118.285 5.055 1
1 33 . 3 1 1 A 11 11 LYS H H 11 8.288 7.595 0.693 1
1 34 . 3 1 1 A 11 11 LYS CA C 11 55.992 55.163 0.829 1
1 35 . 3 1 1 A 11 11 LYS HA H 11 4.254 4.573 -0.319 1
1 36 . 3 1 1 A 11 11 LYS CB C 11 33.080 36.035 -2.955 1
1 48 . 3 1 1 A 11 11 LYS C C 11 175.464 174.151 1.313 1
1 49 . 3 1 1 A 12 12 SER N N 12 115.376 115.528 -0.152 1
1 50 . 3 1 1 A 12 12 SER H H 12 7.783 8.338 -0.555 1
1 51 . 3 1 1 A 12 12 SER CA C 12 57.470 57.618 -0.148 1
1 52 . 3 1 1 A 12 12 SER HA H 12 4.484 5.110 -0.626 1
1 53 . 3 1 1 A 12 12 SER CB C 12 64.666 66.085 -1.419 1
1 56 . 3 1 1 A 12 12 SER C C 12 172.585 172.276 0.309 1
1 57 . 3 1 1 A 13 13 TYR N N 13 122.308 123.799 -1.491 1
1 58 . 3 1 1 A 13 13 TYR H H 13 8.678 8.425 0.253 1
1 59 . 3 1 1 A 13 13 TYR CA C 13 57.124 57.893 -0.769 1
1 60 . 3 1 1 A 13 13 TYR HA H 13 4.644 5.044 -0.400 1
1 61 . 3 1 1 A 13 13 TYR CB C 13 39.856 40.695 -0.839 1
1 72 . 3 1 1 A 13 13 TYR C C 13 174.849 175.539 -0.690 1
1 73 . 3 1 1 A 14 14 ASN N N 14 121.239 118.534 2.705 1
1 74 . 3 1 1 A 14 14 ASN H H 14 8.692 9.104 -0.412 1
1 75 . 3 1 1 A 14 14 ASN CA C 14 52.525 52.428 0.097 1
1 76 . 3 1 1 A 14 14 ASN HA H 14 5.463 5.377 0.086 1
1 77 . 3 1 1 A 14 14 ASN CB C 14 40.600 42.580 -1.980 1
1 83 . 3 1 1 A 14 14 ASN C C 14 174.400 174.180 0.220 1
1 84 . 3 1 1 A 15 15 CYS N N 15 124.052 122.182 1.870 1
1 85 . 3 1 1 A 15 15 CYS H H 15 9.215 8.676 0.539 1
1 86 . 3 1 1 A 15 15 CYS CA C 15 59.463 58.083 1.380 1
1 87 . 3 1 1 A 15 15 CYS HA H 15 4.541 4.615 -0.074 1
1 88 . 3 1 1 A 15 15 CYS CB C 15 29.688 26.708 2.980 1
1 91 . 3 1 1 A 15 15 CYS C C 15 177.069 175.500 1.569 1
1 92 . 3 1 1 A 16 16 ASN N N 16 130.116 125.209 4.907 1
1 93 . 3 1 1 A 16 16 ASN H H 16 9.386 8.394 0.992 1
1 94 . 3 1 1 A 16 16 ASN CA C 16 55.613 55.786 -0.173 1
1 95 . 3 1 1 A 16 16 ASN HA H 16 4.515 4.406 0.109 1
1 96 . 3 1 1 A 16 16 ASN CB C 16 38.236 37.929 0.307 1
1 102 . 3 1 1 A 16 16 ASN C C 16 175.385 177.141 -1.756 1
1 103 . 3 1 1 A 17 17 GLU N N 17 120.832 119.492 1.340 1
1 104 . 3 1 1 A 17 17 GLU H H 17 8.687 8.412 0.275 1
1 105 . 3 1 1 A 17 17 GLU CA C 17 58.362 59.351 -0.989 1
1 106 . 3 1 1 A 17 17 GLU HA H 17 4.224 3.958 0.266 1
1 107 . 3 1 1 A 17 17 GLU CB C 17 29.626 29.014 0.612 1
1 113 . 3 1 1 A 17 17 GLU C C 17 177.037 178.060 -1.023 1
1 114 . 3 1 1 A 18 18 CYS N N 18 114.739 114.593 0.146 1
1 115 . 3 1 1 A 18 18 CYS H H 18 7.888 7.872 0.016 1
1 116 . 3 1 1 A 18 18 CYS CA C 18 58.338 59.547 -1.209 1
1 117 . 3 1 1 A 18 18 CYS HA H 18 5.145 4.664 0.481 1
1 118 . 3 1 1 A 18 18 CYS CB C 18 32.372 29.957 2.415 1
1 121 . 3 1 1 A 18 18 CYS C C 18 176.190 175.442 0.748 1
1 122 . 3 1 1 A 19 19 GLY N N 19 113.385 110.114 3.271 1
1 123 . 3 1 1 A 19 19 GLY H H 19 8.188 8.693 -0.505 1
1 124 . 3 1 1 A 19 19 GLY CA C 19 46.207 45.650 0.557 1
1 125 . 3 1 1 A 19 19 GLY HA2 H 19 3.890 4.047 -0.157 1
1 126 . 3 1 1 A 19 19 GLY HA3 H 19 4.212 4.050 0.162 1
1 127 . 3 1 1 A 19 19 GLY C C 19 174.091 174.043 0.048 1
1 128 . 3 1 1 A 20 20 LYS N N 20 123.027 120.281 2.746 1
1 129 . 3 1 1 A 20 20 LYS H H 20 7.879 7.757 0.122 1
1 130 . 3 1 1 A 20 20 LYS CA C 20 58.200 54.815 3.385 1
1 131 . 3 1 1 A 20 20 LYS HA H 20 3.916 4.590 -0.674 1
1 132 . 3 1 1 A 20 20 LYS CB C 20 33.874 34.618 -0.744 1
1 144 . 3 1 1 A 20 20 LYS C C 20 173.619 174.876 -1.257 1
1 145 . 3 1 1 A 21 21 ALA N N 21 124.096 129.440 -5.344 1
1 146 . 3 1 1 A 21 21 ALA H H 21 7.788 8.692 -0.904 1
1 147 . 3 1 1 A 21 21 ALA CA C 21 50.996 51.557 -0.561 1
1 148 . 3 1 1 A 21 21 ALA HA H 21 4.931 5.141 -0.210 1
1 149 . 3 1 1 A 21 21 ALA CB C 21 21.943 20.440 1.503 1
1 153 . 3 1 1 A 21 21 ALA C C 21 176.797 176.574 0.223 1
1 154 . 3 1 1 A 22 22 PHE N N 22 117.342 119.122 -1.780 1
1 155 . 3 1 1 A 22 22 PHE H H 22 8.610 8.526 0.084 1
1 156 . 3 1 1 A 22 22 PHE CA C 22 57.093 56.702 0.391 1
1 157 . 3 1 1 A 22 22 PHE HA H 22 4.858 4.994 -0.136 1
1 158 . 3 1 1 A 22 22 PHE CB C 22 43.718 42.060 1.658 1
1 171 . 3 1 1 A 22 22 PHE C C 22 175.933 176.329 -0.396 1
1 172 . 3 1 1 A 23 23 THR CA C 23 62.823 66.114 -3.291 1
1 173 . 3 1 1 A 23 23 THR HA H 23 4.685 4.126 0.559 1
1 174 . 3 1 1 A 23 23 THR CB C 23 69.904 68.457 1.447 1
1 180 . 3 1 1 A 23 23 THR C C 23 175.088 174.513 0.575 1
1 181 . 3 1 1 A 24 24 ARG N N 24 116.983 119.587 -2.604 1
1 182 . 3 1 1 A 24 24 ARG H H 24 7.249 8.229 -0.980 1
1 183 . 3 1 1 A 24 24 ARG CA C 24 53.376 54.194 -0.818 1
1 184 . 3 1 1 A 24 24 ARG HA H 24 4.789 4.868 -0.079 1
1 185 . 3 1 1 A 24 24 ARG CB C 24 33.354 33.032 0.322 1
1 194 . 3 1 1 A 24 24 ARG C C 24 177.127 176.565 0.562 1
1 195 . 3 1 1 A 25 25 ILE N N 25 126.047 124.206 1.841 1
1 196 . 3 1 1 A 25 25 ILE H H 25 8.578 8.108 0.470 1
1 197 . 3 1 1 A 25 25 ILE CA C 25 63.728 63.022 0.706 1
1 198 . 3 1 1 A 25 25 ILE HA H 25 3.203 3.088 0.115 1
1 199 . 3 1 1 A 25 25 ILE CB C 25 37.142 36.927 0.215 1
1 212 . 3 1 1 A 25 25 ILE C C 25 176.844 177.513 -0.669 1
1 213 . 3 1 1 A 26 26 PHE CA C 26 59.118 60.632 -1.514 1
1 214 . 3 1 1 A 26 26 PHE HA H 26 4.429 4.130 0.299 1
1 215 . 3 1 1 A 26 26 PHE CB C 26 38.494 39.169 -0.675 1
1 224 . 3 1 1 A 26 26 PHE C C 26 177.609 178.192 -0.583 1
1 225 . 3 1 1 A 27 27 HIS N N 27 117.282 117.996 -0.714 1
1 226 . 3 1 1 A 27 27 HIS H H 27 6.564 8.262 -1.698 1
1 227 . 3 1 1 A 27 27 HIS CA C 27 57.363 59.838 -2.475 1
1 228 . 3 1 1 A 27 27 HIS HA H 27 4.358 4.238 0.120 1
1 229 . 3 1 1 A 27 27 HIS CB C 27 31.719 29.358 2.361 1
1 234 . 3 1 1 A 27 27 HIS C C 27 178.164 176.164 2.000 1
1 235 . 3 1 1 A 28 28 LEU N N 28 122.177 119.785 2.392 1
1 236 . 3 1 1 A 28 28 LEU H H 28 7.044 7.815 -0.771 1
1 237 . 3 1 1 A 28 28 LEU CA C 28 58.040 57.653 0.387 1
1 238 . 3 1 1 A 28 28 LEU HA H 28 3.196 2.996 0.200 1
1 239 . 3 1 1 A 28 28 LEU CB C 28 40.283 41.450 -1.167 1
1 252 . 3 1 1 A 28 28 LEU C C 28 177.790 178.341 -0.551 1
1 253 . 3 1 1 A 29 29 THR N N 29 114.476 114.824 -0.348 1
1 254 . 3 1 1 A 29 29 THR H H 29 8.616 8.351 0.265 1
1 255 . 3 1 1 A 29 29 THR CA C 29 66.015 66.884 -0.869 1
1 256 . 3 1 1 A 29 29 THR HA H 29 3.943 3.806 0.137 1
1 257 . 3 1 1 A 29 29 THR CB C 29 68.316 68.676 -0.360 1
1 263 . 3 1 1 A 29 29 THR C C 29 177.269 176.799 0.470 1
1 264 . 3 1 1 A 30 30 ARG N N 30 120.519 119.881 0.638 1
1 265 . 3 1 1 A 30 30 ARG H H 30 7.354 8.285 -0.931 1
1 266 . 3 1 1 A 30 30 ARG CA C 30 59.260 58.577 0.683 1
1 267 . 3 1 1 A 30 30 ARG HA H 30 3.948 4.080 -0.132 1
1 268 . 3 1 1 A 30 30 ARG CB C 30 30.125 29.694 0.431 1
1 277 . 3 1 1 A 30 30 ARG C C 30 178.650 178.237 0.413 1
1 278 . 3 1 1 A 31 31 HIS N N 31 119.426 120.342 -0.916 1
1 279 . 3 1 1 A 31 31 HIS H H 31 7.522 7.772 -0.250 1
1 280 . 3 1 1 A 31 31 HIS CA C 31 59.079 59.177 -0.098 1
1 281 . 3 1 1 A 31 31 HIS HA H 31 4.191 4.134 0.057 1
1 282 . 3 1 1 A 31 31 HIS CB C 31 28.539 29.797 -1.258 1
1 289 . 3 1 1 A 31 31 HIS C C 31 176.154 177.003 -0.849 1
1 290 . 3 1 1 A 32 32 GLN N N 32 114.933 117.194 -2.261 1
1 291 . 3 1 1 A 32 32 GLN H H 32 8.342 8.546 -0.204 1
1 292 . 3 1 1 A 32 32 GLN CA C 32 59.352 59.075 0.277 1
1 293 . 3 1 1 A 32 32 GLN HA H 32 3.629 3.786 -0.157 1
1 294 . 3 1 1 A 32 32 GLN CB C 32 28.360 28.232 0.128 1
1 303 . 3 1 1 A 32 32 GLN C C 32 177.376 178.505 -1.129 1
1 304 . 3 1 1 A 33 33 LYS N N 33 117.471 119.898 -2.427 1
1 305 . 3 1 1 A 33 33 LYS H H 33 7.047 8.047 -1.000 1
1 306 . 3 1 1 A 33 33 LYS CA C 33 58.359 59.076 -0.717 1
1 307 . 3 1 1 A 33 33 LYS HA H 33 4.059 3.959 0.100 1
1 308 . 3 1 1 A 33 33 LYS CB C 33 32.214 32.330 -0.116 1
1 320 . 3 1 1 A 33 33 LYS C C 33 178.607 179.293 -0.686 1
1 321 . 3 1 1 A 34 34 ILE N N 34 115.534 117.508 -1.974 1
1 322 . 3 1 1 A 34 34 ILE H H 34 7.799 7.937 -0.138 1
1 323 . 3 1 1 A 34 34 ILE CA C 34 62.935 64.108 -1.173 1
1 324 . 3 1 1 A 34 34 ILE HA H 34 3.978 3.733 0.245 1
1 325 . 3 1 1 A 34 34 ILE CB C 34 37.719 37.215 0.504 1
1 338 . 3 1 1 A 34 34 ILE C C 34 177.151 177.841 -0.690 1
1 339 . 3 1 1 A 35 35 HIS N N 35 117.940 119.440 -1.500 1
1 340 . 3 1 1 A 35 35 HIS H H 35 7.211 7.673 -0.462 1
1 341 . 3 1 1 A 35 35 HIS CA C 35 54.796 58.656 -3.860 1
1 342 . 3 1 1 A 35 35 HIS HA H 35 4.831 4.393 0.438 1
1 343 . 3 1 1 A 35 35 HIS CB C 35 28.553 30.305 -1.752 1
1 350 . 3 1 1 A 35 35 HIS C C 35 175.116 176.396 -1.280 1
1 351 . 3 1 1 A 36 36 THR N N 36 113.656 111.743 1.913 1
1 352 . 3 1 1 A 36 36 THR H H 36 7.712 7.779 -0.067 1
1 353 . 3 1 1 A 36 36 THR CA C 36 62.445 63.202 -0.757 1
1 354 . 3 1 1 A 36 36 THR HA H 36 4.288 4.091 0.197 1
1 355 . 3 1 1 A 36 36 THR CB C 36 69.822 69.165 0.657 1
1 361 . 3 1 1 A 36 36 THR C C 36 174.481 173.795 0.686 1
1 362 . 3 1 1 A 37 37 ARG N N 37 123.945 129.284 -5.339 1
1 363 . 3 1 1 A 37 37 ARG H H 37 8.264 8.516 -0.252 1
1 364 . 3 1 1 A 37 37 ARG CA C 37 56.202 54.579 1.623 1
1 365 . 3 1 1 A 37 37 ARG HA H 37 4.357 4.756 -0.399 1
1 366 . 3 1 1 A 37 37 ARG CB C 37 30.808 34.383 -3.575 1
1 375 . 3 1 1 A 38 38 LYS N N 38 128.503 125.934 2.569 1
1 376 . 3 1 1 A 38 38 LYS H H 38 8.048 8.813 -0.765 1
1 377 . 3 1 1 A 38 38 LYS CA C 38 57.651 54.617 3.034 1
1 378 . 3 1 1 A 38 38 LYS HA H 38 4.147 4.572 -0.425 1
1 379 . 3 1 1 A 38 38 LYS CB C 38 33.710 31.495 2.215 1
1 391 . 3 1 1 A 40 40 GLY CA C 40 44.605 45.664 -1.059 1
1 392 . 3 1 1 A 40 40 GLY HA2 H 40 4.130 4.133 -0.003 1
1 393 . 3 1 1 A 40 40 GLY HA3 H 40 4.130 4.133 -0.003 1
1 394 . 3 1 1 A 41 41 PRO CA C 41 63.289 62.884 0.405 1
1 395 . 3 1 1 A 41 41 PRO HA H 41 4.468 4.633 -0.165 1
1 396 . 3 1 1 A 41 41 PRO CB C 41 32.206 32.058 0.148 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.484 47.371 -1.887 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.025 3.854 0.171 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.025 3.856 0.169 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.529 174.887 -0.358 1
1 5 . 4 1 1 A 8 8 THR N N 8 113.203 114.616 -1.413 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.121 7.787 0.334 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.909 62.313 -0.404 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.352 4.253 0.099 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.714 70.299 -0.585 1
1 15 . 4 1 1 A 8 8 THR C C 8 174.447 173.689 0.758 1
1 16 . 4 1 1 A 9 9 ASP N N 9 122.758 123.602 -0.844 1
1 17 . 4 1 1 A 9 9 ASP H H 9 8.411 8.743 -0.332 1
1 18 . 4 1 1 A 9 9 ASP CA C 9 54.415 52.786 1.629 1
1 19 . 4 1 1 A 9 9 ASP HA H 9 4.660 5.006 -0.346 1
1 20 . 4 1 1 A 9 9 ASP CB C 9 41.177 41.727 -0.550 1
1 23 . 4 1 1 A 9 9 ASP C C 9 176.142 174.835 1.307 1
1 24 . 4 1 1 A 10 10 SER N N 10 116.278 114.256 2.022 1
1 25 . 4 1 1 A 10 10 SER H H 10 8.205 7.745 0.460 1
1 26 . 4 1 1 A 10 10 SER CA C 10 58.390 56.518 1.872 1
1 27 . 4 1 1 A 10 10 SER HA H 10 4.400 5.371 -0.971 1
1 28 . 4 1 1 A 10 10 SER CB C 10 63.777 65.424 -1.647 1
1 31 . 4 1 1 A 10 10 SER C C 10 174.207 173.615 0.592 1
1 32 . 4 1 1 A 11 11 LYS N N 11 123.340 122.708 0.632 1
1 33 . 4 1 1 A 11 11 LYS H H 11 8.288 8.664 -0.376 1
1 34 . 4 1 1 A 11 11 LYS CA C 11 55.992 54.568 1.424 1
1 35 . 4 1 1 A 11 11 LYS HA H 11 4.254 4.981 -0.727 1
1 36 . 4 1 1 A 11 11 LYS CB C 11 33.080 34.706 -1.626 1
1 48 . 4 1 1 A 11 11 LYS C C 11 175.464 175.650 -0.186 1
1 49 . 4 1 1 A 12 12 SER N N 12 115.376 115.649 -0.273 1
1 50 . 4 1 1 A 12 12 SER H H 12 7.783 8.680 -0.897 1
1 51 . 4 1 1 A 12 12 SER CA C 12 57.470 56.637 0.833 1
1 52 . 4 1 1 A 12 12 SER HA H 12 4.484 5.056 -0.572 1
1 53 . 4 1 1 A 12 12 SER CB C 12 64.666 65.892 -1.226 1
1 56 . 4 1 1 A 12 12 SER C C 12 172.585 172.373 0.212 1
1 57 . 4 1 1 A 13 13 TYR N N 13 122.308 124.662 -2.354 1
1 58 . 4 1 1 A 13 13 TYR H H 13 8.678 8.432 0.246 1
1 59 . 4 1 1 A 13 13 TYR CA C 13 57.124 58.435 -1.311 1
1 60 . 4 1 1 A 13 13 TYR HA H 13 4.644 4.884 -0.240 1
1 61 . 4 1 1 A 13 13 TYR CB C 13 39.856 39.792 0.064 1
1 72 . 4 1 1 A 13 13 TYR C C 13 174.849 175.974 -1.125 1
1 73 . 4 1 1 A 14 14 ASN N N 14 121.239 118.895 2.344 1
1 74 . 4 1 1 A 14 14 ASN H H 14 8.692 9.224 -0.532 1
1 75 . 4 1 1 A 14 14 ASN CA C 14 52.525 52.315 0.210 1
1 76 . 4 1 1 A 14 14 ASN HA H 14 5.463 5.760 -0.297 1
1 77 . 4 1 1 A 14 14 ASN CB C 14 40.600 42.566 -1.966 1
1 83 . 4 1 1 A 14 14 ASN C C 14 174.400 173.856 0.544 1
1 84 . 4 1 1 A 15 15 CYS N N 15 124.052 123.563 0.489 1
1 85 . 4 1 1 A 15 15 CYS H H 15 9.215 9.288 -0.073 1
1 86 . 4 1 1 A 15 15 CYS CA C 15 59.463 59.925 -0.462 1
1 87 . 4 1 1 A 15 15 CYS HA H 15 4.541 4.706 -0.165 1
1 88 . 4 1 1 A 15 15 CYS CB C 15 29.688 28.948 0.740 1
1 91 . 4 1 1 A 15 15 CYS C C 15 177.069 174.763 2.306 1
1 92 . 4 1 1 A 16 16 ASN N N 16 130.116 123.774 6.342 1
1 93 . 4 1 1 A 16 16 ASN H H 16 9.386 9.193 0.193 1
1 94 . 4 1 1 A 16 16 ASN CA C 16 55.613 54.385 1.228 1
1 95 . 4 1 1 A 16 16 ASN HA H 16 4.515 4.793 -0.278 1
1 96 . 4 1 1 A 16 16 ASN CB C 16 38.236 40.286 -2.050 1
1 102 . 4 1 1 A 16 16 ASN C C 16 175.385 177.326 -1.941 1
1 103 . 4 1 1 A 17 17 GLU N N 17 120.832 118.644 2.188 1
1 104 . 4 1 1 A 17 17 GLU H H 17 8.687 7.776 0.911 1
1 105 . 4 1 1 A 17 17 GLU CA C 17 58.362 58.880 -0.518 1
1 106 . 4 1 1 A 17 17 GLU HA H 17 4.224 3.921 0.303 1
1 107 . 4 1 1 A 17 17 GLU CB C 17 29.626 28.362 1.264 1
1 113 . 4 1 1 A 17 17 GLU C C 17 177.037 177.950 -0.913 1
1 114 . 4 1 1 A 18 18 CYS N N 18 114.739 114.829 -0.090 1
1 115 . 4 1 1 A 18 18 CYS H H 18 7.888 7.455 0.433 1
1 116 . 4 1 1 A 18 18 CYS CA C 18 58.338 59.656 -1.318 1
1 117 . 4 1 1 A 18 18 CYS HA H 18 5.145 4.626 0.519 1
1 118 . 4 1 1 A 18 18 CYS CB C 18 32.372 29.930 2.442 1
1 121 . 4 1 1 A 18 18 CYS C C 18 176.190 175.538 0.652 1
1 122 . 4 1 1 A 19 19 GLY N N 19 113.385 109.454 3.931 1
1 123 . 4 1 1 A 19 19 GLY H H 19 8.188 8.285 -0.097 1
1 124 . 4 1 1 A 19 19 GLY CA C 19 46.207 45.178 1.029 1
1 125 . 4 1 1 A 19 19 GLY HA2 H 19 3.890 4.065 -0.175 1
1 126 . 4 1 1 A 19 19 GLY HA3 H 19 4.212 4.090 0.122 1
1 127 . 4 1 1 A 19 19 GLY C C 19 174.091 173.179 0.912 1
1 128 . 4 1 1 A 20 20 LYS N N 20 123.027 125.177 -2.150 1
1 129 . 4 1 1 A 20 20 LYS H H 20 7.879 8.400 -0.521 1
1 130 . 4 1 1 A 20 20 LYS CA C 20 58.200 55.129 3.071 1
1 131 . 4 1 1 A 20 20 LYS HA H 20 3.916 4.677 -0.761 1
1 132 . 4 1 1 A 20 20 LYS CB C 20 33.874 35.877 -2.003 1
1 144 . 4 1 1 A 20 20 LYS C C 20 173.619 173.804 -0.185 1
1 145 . 4 1 1 A 21 21 ALA N N 21 124.096 127.327 -3.231 1
1 146 . 4 1 1 A 21 21 ALA H H 21 7.788 8.522 -0.734 1
1 147 . 4 1 1 A 21 21 ALA CA C 21 50.996 50.908 0.088 1
1 148 . 4 1 1 A 21 21 ALA HA H 21 4.931 4.966 -0.035 1
1 149 . 4 1 1 A 21 21 ALA CB C 21 21.943 20.162 1.781 1
1 153 . 4 1 1 A 21 21 ALA C C 21 176.797 176.215 0.582 1
1 154 . 4 1 1 A 22 22 PHE N N 22 117.342 120.137 -2.795 1
1 155 . 4 1 1 A 22 22 PHE H H 22 8.610 8.918 -0.308 1
1 156 . 4 1 1 A 22 22 PHE CA C 22 57.093 56.394 0.699 1
1 157 . 4 1 1 A 22 22 PHE HA H 22 4.858 5.019 -0.161 1
1 158 . 4 1 1 A 22 22 PHE CB C 22 43.718 41.843 1.875 1
1 171 . 4 1 1 A 22 22 PHE C C 22 175.933 175.969 -0.036 1
1 172 . 4 1 1 A 23 23 THR CA C 23 62.823 66.686 -3.863 1
1 173 . 4 1 1 A 23 23 THR HA H 23 4.685 3.992 0.693 1
1 174 . 4 1 1 A 23 23 THR CB C 23 69.904 69.011 0.893 1
1 180 . 4 1 1 A 23 23 THR C C 23 175.088 175.195 -0.107 1
1 181 . 4 1 1 A 24 24 ARG N N 24 116.983 118.925 -1.942 1
1 182 . 4 1 1 A 24 24 ARG H H 24 7.249 8.078 -0.829 1
1 183 . 4 1 1 A 24 24 ARG CA C 24 53.376 54.223 -0.847 1
1 184 . 4 1 1 A 24 24 ARG HA H 24 4.789 4.824 -0.035 1
1 185 . 4 1 1 A 24 24 ARG CB C 24 33.354 32.634 0.720 1
1 194 . 4 1 1 A 24 24 ARG C C 24 177.127 176.464 0.663 1
1 195 . 4 1 1 A 25 25 ILE N N 25 126.047 124.016 2.031 1
1 196 . 4 1 1 A 25 25 ILE H H 25 8.578 8.456 0.122 1
1 197 . 4 1 1 A 25 25 ILE CA C 25 63.728 63.524 0.204 1
1 198 . 4 1 1 A 25 25 ILE HA H 25 3.203 3.483 -0.280 1
1 199 . 4 1 1 A 25 25 ILE CB C 25 37.142 36.834 0.308 1
1 212 . 4 1 1 A 25 25 ILE C C 25 176.844 177.638 -0.794 1
1 213 . 4 1 1 A 26 26 PHE CA C 26 59.118 60.731 -1.613 1
1 214 . 4 1 1 A 26 26 PHE HA H 26 4.429 4.167 0.262 1
1 215 . 4 1 1 A 26 26 PHE CB C 26 38.494 39.081 -0.587 1
1 224 . 4 1 1 A 26 26 PHE C C 26 177.609 178.224 -0.615 1
1 225 . 4 1 1 A 27 27 HIS N N 27 117.282 117.966 -0.684 1
1 226 . 4 1 1 A 27 27 HIS H H 27 6.564 8.301 -1.737 1
1 227 . 4 1 1 A 27 27 HIS CA C 27 57.363 59.936 -2.573 1
1 228 . 4 1 1 A 27 27 HIS HA H 27 4.358 4.277 0.081 1
1 229 . 4 1 1 A 27 27 HIS CB C 27 31.719 29.636 2.083 1
1 234 . 4 1 1 A 27 27 HIS C C 27 178.164 176.304 1.860 1
1 235 . 4 1 1 A 28 28 LEU N N 28 122.177 120.147 2.030 1
1 236 . 4 1 1 A 28 28 LEU H H 28 7.044 7.343 -0.299 1
1 237 . 4 1 1 A 28 28 LEU CA C 28 58.040 57.872 0.168 1
1 238 . 4 1 1 A 28 28 LEU HA H 28 3.196 3.015 0.181 1
1 239 . 4 1 1 A 28 28 LEU CB C 28 40.283 41.324 -1.041 1
1 252 . 4 1 1 A 28 28 LEU C C 28 177.790 178.428 -0.638 1
1 253 . 4 1 1 A 29 29 THR N N 29 114.476 114.750 -0.274 1
1 254 . 4 1 1 A 29 29 THR H H 29 8.616 8.287 0.329 1
1 255 . 4 1 1 A 29 29 THR CA C 29 66.015 67.019 -1.004 1
1 256 . 4 1 1 A 29 29 THR HA H 29 3.943 3.884 0.059 1
1 257 . 4 1 1 A 29 29 THR CB C 29 68.316 68.322 -0.006 1
1 263 . 4 1 1 A 29 29 THR C C 29 177.269 176.339 0.930 1
1 264 . 4 1 1 A 30 30 ARG N N 30 120.519 120.997 -0.478 1
1 265 . 4 1 1 A 30 30 ARG H H 30 7.354 7.695 -0.341 1
1 266 . 4 1 1 A 30 30 ARG CA C 30 59.260 59.590 -0.330 1
1 267 . 4 1 1 A 30 30 ARG HA H 30 3.948 3.933 0.015 1
1 268 . 4 1 1 A 30 30 ARG CB C 30 30.125 29.436 0.689 1
1 277 . 4 1 1 A 30 30 ARG C C 30 178.650 178.288 0.362 1
1 278 . 4 1 1 A 31 31 HIS N N 31 119.426 119.942 -0.516 1
1 279 . 4 1 1 A 31 31 HIS H H 31 7.522 8.316 -0.794 1
1 280 . 4 1 1 A 31 31 HIS CA C 31 59.079 59.660 -0.581 1
1 281 . 4 1 1 A 31 31 HIS HA H 31 4.191 4.202 -0.011 1
1 282 . 4 1 1 A 31 31 HIS CB C 31 28.539 29.978 -1.439 1
1 289 . 4 1 1 A 31 31 HIS C C 31 176.154 176.881 -0.727 1
1 290 . 4 1 1 A 32 32 GLN N N 32 114.933 117.477 -2.544 1
1 291 . 4 1 1 A 32 32 GLN H H 32 8.342 8.345 -0.003 1
1 292 . 4 1 1 A 32 32 GLN CA C 32 59.352 59.030 0.322 1
1 293 . 4 1 1 A 32 32 GLN HA H 32 3.629 3.837 -0.208 1
1 294 . 4 1 1 A 32 32 GLN CB C 32 28.360 28.321 0.039 1
1 303 . 4 1 1 A 32 32 GLN C C 32 177.376 178.533 -1.157 1
1 304 . 4 1 1 A 33 33 LYS N N 33 117.471 119.876 -2.405 1
1 305 . 4 1 1 A 33 33 LYS H H 33 7.047 7.668 -0.621 1
1 306 . 4 1 1 A 33 33 LYS CA C 33 58.359 59.023 -0.664 1
1 307 . 4 1 1 A 33 33 LYS HA H 33 4.059 3.931 0.128 1
1 308 . 4 1 1 A 33 33 LYS CB C 33 32.214 32.332 -0.118 1
1 320 . 4 1 1 A 33 33 LYS C C 33 178.607 179.246 -0.639 1
1 321 . 4 1 1 A 34 34 ILE N N 34 115.534 116.781 -1.247 1
1 322 . 4 1 1 A 34 34 ILE H H 34 7.799 7.867 -0.068 1
1 323 . 4 1 1 A 34 34 ILE CA C 34 62.935 63.650 -0.715 1
1 324 . 4 1 1 A 34 34 ILE HA H 34 3.978 3.785 0.193 1
1 325 . 4 1 1 A 34 34 ILE CB C 34 37.719 37.242 0.477 1
1 338 . 4 1 1 A 34 34 ILE C C 34 177.151 176.672 0.479 1
1 339 . 4 1 1 A 35 35 HIS N N 35 117.940 119.135 -1.195 1
1 340 . 4 1 1 A 35 35 HIS H H 35 7.211 7.806 -0.595 1
1 341 . 4 1 1 A 35 35 HIS CA C 35 54.796 54.780 0.016 1
1 342 . 4 1 1 A 35 35 HIS HA H 35 4.831 4.714 0.117 1
1 343 . 4 1 1 A 35 35 HIS CB C 35 28.553 28.460 0.093 1
1 350 . 4 1 1 A 35 35 HIS C C 35 175.116 174.525 0.591 1
1 351 . 4 1 1 A 36 36 THR N N 36 113.656 115.396 -1.740 1
1 352 . 4 1 1 A 36 36 THR H H 36 7.712 7.301 0.411 1
1 353 . 4 1 1 A 36 36 THR CA C 36 62.445 60.620 1.825 1
1 354 . 4 1 1 A 36 36 THR HA H 36 4.288 4.712 -0.424 1
1 355 . 4 1 1 A 36 36 THR CB C 36 69.822 70.261 -0.439 1
1 361 . 4 1 1 A 36 36 THR C C 36 174.481 173.824 0.657 1
1 362 . 4 1 1 A 37 37 ARG N N 37 123.945 127.505 -3.560 1
1 363 . 4 1 1 A 37 37 ARG H H 37 8.264 8.520 -0.256 1
1 364 . 4 1 1 A 37 37 ARG CA C 37 56.202 56.224 -0.022 1
1 365 . 4 1 1 A 37 37 ARG HA H 37 4.357 4.219 0.138 1
1 366 . 4 1 1 A 37 37 ARG CB C 37 30.808 30.509 0.299 1
1 375 . 4 1 1 A 38 38 LYS N N 38 128.503 122.818 5.685 1
1 376 . 4 1 1 A 38 38 LYS H H 38 8.048 8.416 -0.368 1
1 377 . 4 1 1 A 38 38 LYS CA C 38 57.651 55.457 2.194 1
1 378 . 4 1 1 A 38 38 LYS HA H 38 4.147 4.685 -0.538 1
1 379 . 4 1 1 A 38 38 LYS CB C 38 33.710 34.359 -0.649 1
1 391 . 4 1 1 A 40 40 GLY CA C 40 44.605 45.649 -1.044 1
1 392 . 4 1 1 A 40 40 GLY HA2 H 40 4.130 3.957 0.173 1
1 393 . 4 1 1 A 40 40 GLY HA3 H 40 4.130 3.957 0.173 1
1 394 . 4 1 1 A 41 41 PRO CA C 41 63.289 63.663 -0.374 1
1 395 . 4 1 1 A 41 41 PRO HA H 41 4.468 4.509 -0.041 1
1 396 . 4 1 1 A 41 41 PRO CB C 41 32.206 31.876 0.330 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.484 47.633 -2.149 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.025 3.843 0.182 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.025 3.845 0.180 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.529 174.458 0.071 1
1 5 . 5 1 1 A 8 8 THR N N 8 113.203 112.416 0.787 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.121 7.531 0.590 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.909 60.939 0.970 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.352 4.514 -0.162 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.714 71.100 -1.386 1
1 15 . 5 1 1 A 8 8 THR C C 8 174.447 171.857 2.590 1
1 16 . 5 1 1 A 9 9 ASP N N 9 122.758 125.965 -3.207 1
1 17 . 5 1 1 A 9 9 ASP H H 9 8.411 8.755 -0.344 1
1 18 . 5 1 1 A 9 9 ASP CA C 9 54.415 54.081 0.334 1
1 19 . 5 1 1 A 9 9 ASP HA H 9 4.660 4.853 -0.193 1
1 20 . 5 1 1 A 9 9 ASP CB C 9 41.177 41.069 0.108 1
1 23 . 5 1 1 A 9 9 ASP C C 9 176.142 175.276 0.866 1
1 24 . 5 1 1 A 10 10 SER N N 10 116.278 116.712 -0.434 1
1 25 . 5 1 1 A 10 10 SER H H 10 8.205 8.835 -0.630 1
1 26 . 5 1 1 A 10 10 SER CA C 10 58.390 56.961 1.429 1
1 27 . 5 1 1 A 10 10 SER HA H 10 4.400 4.863 -0.463 1
1 28 . 5 1 1 A 10 10 SER CB C 10 63.777 64.922 -1.145 1
1 31 . 5 1 1 A 10 10 SER C C 10 174.207 172.314 1.893 1
1 32 . 5 1 1 A 11 11 LYS N N 11 123.340 120.935 2.405 1
1 33 . 5 1 1 A 11 11 LYS H H 11 8.288 8.445 -0.157 1
1 34 . 5 1 1 A 11 11 LYS CA C 11 55.992 55.308 0.684 1
1 35 . 5 1 1 A 11 11 LYS HA H 11 4.254 4.743 -0.489 1
1 36 . 5 1 1 A 11 11 LYS CB C 11 33.080 33.728 -0.648 1
1 48 . 5 1 1 A 11 11 LYS C C 11 175.464 175.511 -0.047 1
1 49 . 5 1 1 A 12 12 SER N N 12 115.376 114.324 1.052 1
1 50 . 5 1 1 A 12 12 SER H H 12 7.783 8.423 -0.640 1
1 51 . 5 1 1 A 12 12 SER CA C 12 57.470 57.378 0.092 1
1 52 . 5 1 1 A 12 12 SER HA H 12 4.484 4.881 -0.397 1
1 53 . 5 1 1 A 12 12 SER CB C 12 64.666 66.070 -1.404 1
1 56 . 5 1 1 A 12 12 SER C C 12 172.585 171.911 0.674 1
1 57 . 5 1 1 A 13 13 TYR N N 13 122.308 122.428 -0.120 1
1 58 . 5 1 1 A 13 13 TYR H H 13 8.678 8.424 0.254 1
1 59 . 5 1 1 A 13 13 TYR CA C 13 57.124 56.429 0.695 1
1 60 . 5 1 1 A 13 13 TYR HA H 13 4.644 5.229 -0.585 1
1 61 . 5 1 1 A 13 13 TYR CB C 13 39.856 41.599 -1.743 1
1 72 . 5 1 1 A 13 13 TYR C C 13 174.849 175.200 -0.351 1
1 73 . 5 1 1 A 14 14 ASN N N 14 121.239 119.149 2.090 1
1 74 . 5 1 1 A 14 14 ASN H H 14 8.692 8.846 -0.154 1
1 75 . 5 1 1 A 14 14 ASN CA C 14 52.525 52.209 0.316 1
1 76 . 5 1 1 A 14 14 ASN HA H 14 5.463 5.603 -0.140 1
1 77 . 5 1 1 A 14 14 ASN CB C 14 40.600 42.842 -2.242 1
1 83 . 5 1 1 A 14 14 ASN C C 14 174.400 174.234 0.166 1
1 84 . 5 1 1 A 15 15 CYS N N 15 124.052 122.801 1.251 1
1 85 . 5 1 1 A 15 15 CYS H H 15 9.215 9.430 -0.215 1
1 86 . 5 1 1 A 15 15 CYS CA C 15 59.463 59.272 0.191 1
1 87 . 5 1 1 A 15 15 CYS HA H 15 4.541 4.570 -0.029 1
1 88 . 5 1 1 A 15 15 CYS CB C 15 29.688 28.221 1.467 1
1 91 . 5 1 1 A 15 15 CYS C C 15 177.069 176.177 0.892 1
1 92 . 5 1 1 A 16 16 ASN N N 16 130.116 126.444 3.672 1
1 93 . 5 1 1 A 16 16 ASN H H 16 9.386 9.173 0.213 1
1 94 . 5 1 1 A 16 16 ASN CA C 16 55.613 52.396 3.217 1
1 95 . 5 1 1 A 16 16 ASN HA H 16 4.515 4.986 -0.471 1
1 96 . 5 1 1 A 16 16 ASN CB C 16 38.236 38.266 -0.030 1
1 102 . 5 1 1 A 16 16 ASN C C 16 175.385 176.246 -0.861 1
1 103 . 5 1 1 A 17 17 GLU N N 17 120.832 120.354 0.478 1
1 104 . 5 1 1 A 17 17 GLU H H 17 8.687 7.908 0.779 1
1 105 . 5 1 1 A 17 17 GLU CA C 17 58.362 56.839 1.523 1
1 106 . 5 1 1 A 17 17 GLU HA H 17 4.224 4.523 -0.299 1
1 107 . 5 1 1 A 17 17 GLU CB C 17 29.626 31.752 -2.126 1
1 113 . 5 1 1 A 17 17 GLU C C 17 177.037 177.782 -0.745 1
1 114 . 5 1 1 A 18 18 CYS N N 18 114.739 115.306 -0.567 1
1 115 . 5 1 1 A 18 18 CYS H H 18 7.888 8.104 -0.216 1
1 116 . 5 1 1 A 18 18 CYS CA C 18 58.338 59.651 -1.313 1
1 117 . 5 1 1 A 18 18 CYS HA H 18 5.145 4.822 0.323 1
1 118 . 5 1 1 A 18 18 CYS CB C 18 32.372 29.963 2.409 1
1 121 . 5 1 1 A 18 18 CYS C C 18 176.190 175.651 0.539 1
1 122 . 5 1 1 A 19 19 GLY N N 19 113.385 109.892 3.493 1
1 123 . 5 1 1 A 19 19 GLY H H 19 8.188 8.284 -0.096 1
1 124 . 5 1 1 A 19 19 GLY CA C 19 46.207 45.448 0.759 1
1 125 . 5 1 1 A 19 19 GLY HA2 H 19 3.890 4.074 -0.184 1
1 126 . 5 1 1 A 19 19 GLY HA3 H 19 4.212 4.080 0.132 1
1 127 . 5 1 1 A 19 19 GLY C C 19 174.091 174.043 0.048 1
1 128 . 5 1 1 A 20 20 LYS N N 20 123.027 120.396 2.631 1
1 129 . 5 1 1 A 20 20 LYS H H 20 7.879 7.744 0.135 1
1 130 . 5 1 1 A 20 20 LYS CA C 20 58.200 54.847 3.353 1
1 131 . 5 1 1 A 20 20 LYS HA H 20 3.916 4.622 -0.706 1
1 132 . 5 1 1 A 20 20 LYS CB C 20 33.874 34.920 -1.046 1
1 144 . 5 1 1 A 20 20 LYS C C 20 173.619 174.923 -1.304 1
1 145 . 5 1 1 A 21 21 ALA N N 21 124.096 129.215 -5.119 1
1 146 . 5 1 1 A 21 21 ALA H H 21 7.788 8.871 -1.083 1
1 147 . 5 1 1 A 21 21 ALA CA C 21 50.996 50.788 0.208 1
1 148 . 5 1 1 A 21 21 ALA HA H 21 4.931 5.346 -0.415 1
1 149 . 5 1 1 A 21 21 ALA CB C 21 21.943 21.479 0.464 1
1 153 . 5 1 1 A 21 21 ALA C C 21 176.797 176.453 0.344 1
1 154 . 5 1 1 A 22 22 PHE N N 22 117.342 117.609 -0.267 1
1 155 . 5 1 1 A 22 22 PHE H H 22 8.610 9.238 -0.628 1
1 156 . 5 1 1 A 22 22 PHE CA C 22 57.093 56.758 0.335 1
1 157 . 5 1 1 A 22 22 PHE HA H 22 4.858 4.855 0.003 1
1 158 . 5 1 1 A 22 22 PHE CB C 22 43.718 43.365 0.353 1
1 171 . 5 1 1 A 22 22 PHE C C 22 175.933 175.959 -0.026 1
1 172 . 5 1 1 A 23 23 THR CA C 23 62.823 64.898 -2.075 1
1 173 . 5 1 1 A 23 23 THR HA H 23 4.685 4.309 0.376 1
1 174 . 5 1 1 A 23 23 THR CB C 23 69.904 69.070 0.834 1
1 180 . 5 1 1 A 23 23 THR C C 23 175.088 175.227 -0.139 1
1 181 . 5 1 1 A 24 24 ARG N N 24 116.983 120.814 -3.831 1
1 182 . 5 1 1 A 24 24 ARG H H 24 7.249 7.745 -0.496 1
1 183 . 5 1 1 A 24 24 ARG CA C 24 53.376 54.789 -1.413 1
1 184 . 5 1 1 A 24 24 ARG HA H 24 4.789 4.469 0.320 1
1 185 . 5 1 1 A 24 24 ARG CB C 24 33.354 30.770 2.584 1
1 194 . 5 1 1 A 24 24 ARG C C 24 177.127 176.625 0.502 1
1 195 . 5 1 1 A 25 25 ILE N N 25 126.047 124.147 1.900 1
1 196 . 5 1 1 A 25 25 ILE H H 25 8.578 8.207 0.371 1
1 197 . 5 1 1 A 25 25 ILE CA C 25 63.728 62.431 1.297 1
1 198 . 5 1 1 A 25 25 ILE HA H 25 3.203 3.787 -0.584 1
1 199 . 5 1 1 A 25 25 ILE CB C 25 37.142 39.327 -2.185 1
1 212 . 5 1 1 A 25 25 ILE C C 25 176.844 177.285 -0.441 1
1 213 . 5 1 1 A 26 26 PHE CA C 26 59.118 59.279 -0.161 1
1 214 . 5 1 1 A 26 26 PHE HA H 26 4.429 4.343 0.086 1
1 215 . 5 1 1 A 26 26 PHE CB C 26 38.494 37.961 0.533 1
1 224 . 5 1 1 A 26 26 PHE C C 26 177.609 177.396 0.213 1
1 225 . 5 1 1 A 27 27 HIS N N 27 117.282 117.863 -0.581 1
1 226 . 5 1 1 A 27 27 HIS H H 27 6.564 7.451 -0.887 1
1 227 . 5 1 1 A 27 27 HIS CA C 27 57.363 59.398 -2.035 1
1 228 . 5 1 1 A 27 27 HIS HA H 27 4.358 4.361 -0.003 1
1 229 . 5 1 1 A 27 27 HIS CB C 27 31.719 29.835 1.884 1
1 234 . 5 1 1 A 27 27 HIS C C 27 178.164 177.534 0.630 1
1 235 . 5 1 1 A 28 28 LEU N N 28 122.177 121.121 1.056 1
1 236 . 5 1 1 A 28 28 LEU H H 28 7.044 7.806 -0.762 1
1 237 . 5 1 1 A 28 28 LEU CA C 28 58.040 57.057 0.983 1
1 238 . 5 1 1 A 28 28 LEU HA H 28 3.196 2.842 0.354 1
1 239 . 5 1 1 A 28 28 LEU CB C 28 40.283 41.985 -1.702 1
1 252 . 5 1 1 A 28 28 LEU C C 28 177.790 178.355 -0.565 1
1 253 . 5 1 1 A 29 29 THR N N 29 114.476 114.949 -0.473 1
1 254 . 5 1 1 A 29 29 THR H H 29 8.616 8.123 0.493 1
1 255 . 5 1 1 A 29 29 THR CA C 29 66.015 66.732 -0.717 1
1 256 . 5 1 1 A 29 29 THR HA H 29 3.943 3.907 0.036 1
1 257 . 5 1 1 A 29 29 THR CB C 29 68.316 68.196 0.120 1
1 263 . 5 1 1 A 29 29 THR C C 29 177.269 177.202 0.067 1
1 264 . 5 1 1 A 30 30 ARG N N 30 120.519 120.362 0.157 1
1 265 . 5 1 1 A 30 30 ARG H H 30 7.354 8.494 -1.140 1
1 266 . 5 1 1 A 30 30 ARG CA C 30 59.260 57.747 1.513 1
1 267 . 5 1 1 A 30 30 ARG HA H 30 3.948 4.212 -0.264 1
1 268 . 5 1 1 A 30 30 ARG CB C 30 30.125 28.857 1.268 1
1 277 . 5 1 1 A 30 30 ARG C C 30 178.650 178.171 0.479 1
1 278 . 5 1 1 A 31 31 HIS N N 31 119.426 120.248 -0.822 1
1 279 . 5 1 1 A 31 31 HIS H H 31 7.522 7.820 -0.298 1
1 280 . 5 1 1 A 31 31 HIS CA C 31 59.079 58.925 0.154 1
1 281 . 5 1 1 A 31 31 HIS HA H 31 4.191 4.253 -0.062 1
1 282 . 5 1 1 A 31 31 HIS CB C 31 28.539 30.128 -1.589 1
1 289 . 5 1 1 A 31 31 HIS C C 31 176.154 177.315 -1.161 1
1 290 . 5 1 1 A 32 32 GLN N N 32 114.933 117.526 -2.593 1
1 291 . 5 1 1 A 32 32 GLN H H 32 8.342 8.202 0.140 1
1 292 . 5 1 1 A 32 32 GLN CA C 32 59.352 59.084 0.268 1
1 293 . 5 1 1 A 32 32 GLN HA H 32 3.629 3.764 -0.135 1
1 294 . 5 1 1 A 32 32 GLN CB C 32 28.360 28.280 0.080 1
1 303 . 5 1 1 A 32 32 GLN C C 32 177.376 178.622 -1.246 1
1 304 . 5 1 1 A 33 33 LYS N N 33 117.471 120.062 -2.591 1
1 305 . 5 1 1 A 33 33 LYS H H 33 7.047 8.062 -1.015 1
1 306 . 5 1 1 A 33 33 LYS CA C 33 58.359 59.024 -0.665 1
1 307 . 5 1 1 A 33 33 LYS HA H 33 4.059 4.012 0.047 1
1 308 . 5 1 1 A 33 33 LYS CB C 33 32.214 32.632 -0.418 1
1 320 . 5 1 1 A 33 33 LYS C C 33 178.607 179.412 -0.805 1
1 321 . 5 1 1 A 34 34 ILE N N 34 115.534 116.084 -0.550 1
1 322 . 5 1 1 A 34 34 ILE H H 34 7.799 8.252 -0.453 1
1 323 . 5 1 1 A 34 34 ILE CA C 34 62.935 63.651 -0.716 1
1 324 . 5 1 1 A 34 34 ILE HA H 34 3.978 3.837 0.141 1
1 325 . 5 1 1 A 34 34 ILE CB C 34 37.719 37.245 0.474 1
1 338 . 5 1 1 A 34 34 ILE C C 34 177.151 176.393 0.758 1
1 339 . 5 1 1 A 35 35 HIS N N 35 117.940 120.733 -2.793 1
1 340 . 5 1 1 A 35 35 HIS H H 35 7.211 8.268 -1.057 1
1 341 . 5 1 1 A 35 35 HIS CA C 35 54.796 54.971 -0.175 1
1 342 . 5 1 1 A 35 35 HIS HA H 35 4.831 4.672 0.159 1
1 343 . 5 1 1 A 35 35 HIS CB C 35 28.553 28.119 0.434 1
1 350 . 5 1 1 A 35 35 HIS C C 35 175.116 175.348 -0.232 1
1 351 . 5 1 1 A 36 36 THR N N 36 113.656 114.021 -0.365 1
1 352 . 5 1 1 A 36 36 THR H H 36 7.712 7.965 -0.253 1
1 353 . 5 1 1 A 36 36 THR CA C 36 62.445 61.205 1.240 1
1 354 . 5 1 1 A 36 36 THR HA H 36 4.288 4.614 -0.326 1
1 355 . 5 1 1 A 36 36 THR CB C 36 69.822 68.979 0.843 1
1 361 . 5 1 1 A 36 36 THR C C 36 174.481 174.591 -0.110 1
1 362 . 5 1 1 A 37 37 ARG N N 37 123.945 119.918 4.027 1
1 363 . 5 1 1 A 37 37 ARG H H 37 8.264 7.869 0.395 1
1 364 . 5 1 1 A 37 37 ARG CA C 37 56.202 56.879 -0.677 1
1 365 . 5 1 1 A 37 37 ARG HA H 37 4.357 4.439 -0.082 1
1 366 . 5 1 1 A 37 37 ARG CB C 37 30.808 31.911 -1.103 1
1 375 . 5 1 1 A 38 38 LYS N N 38 128.503 118.691 9.812 1
1 376 . 5 1 1 A 38 38 LYS H H 38 8.048 7.679 0.369 1
1 377 . 5 1 1 A 38 38 LYS CA C 38 57.651 55.123 2.528 1
1 378 . 5 1 1 A 38 38 LYS HA H 38 4.147 4.801 -0.654 1
1 379 . 5 1 1 A 38 38 LYS CB C 38 33.710 35.300 -1.590 1
1 391 . 5 1 1 A 40 40 GLY CA C 40 44.605 44.591 0.014 1
1 392 . 5 1 1 A 40 40 GLY HA2 H 40 4.130 4.056 0.074 1
1 393 . 5 1 1 A 40 40 GLY HA3 H 40 4.130 4.058 0.072 1
1 394 . 5 1 1 A 41 41 PRO CA C 41 63.289 62.789 0.500 1
1 395 . 5 1 1 A 41 41 PRO HA H 41 4.468 4.677 -0.209 1
1 396 . 5 1 1 A 41 41 PRO CB C 41 32.206 31.820 0.386 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.484 44.507 0.977 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.025 4.085 -0.060 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.025 4.087 -0.062 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.529 174.013 0.516 1
1 5 . 6 1 1 A 8 8 THR N N 8 113.203 117.143 -3.940 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.121 8.089 0.032 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.909 63.465 -1.556 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.352 4.241 0.111 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.714 68.686 1.028 1
1 15 . 6 1 1 A 8 8 THR C C 8 174.447 173.776 0.671 1
1 16 . 6 1 1 A 9 9 ASP N N 9 122.758 127.616 -4.858 1
1 17 . 6 1 1 A 9 9 ASP H H 9 8.411 8.898 -0.487 1
1 18 . 6 1 1 A 9 9 ASP CA C 9 54.415 56.550 -2.135 1
1 19 . 6 1 1 A 9 9 ASP HA H 9 4.660 4.619 0.041 1
1 20 . 6 1 1 A 9 9 ASP CB C 9 41.177 41.883 -0.706 1
1 23 . 6 1 1 A 9 9 ASP C C 9 176.142 177.205 -1.063 1
1 24 . 6 1 1 A 10 10 SER N N 10 116.278 115.629 0.649 1
1 25 . 6 1 1 A 10 10 SER H H 10 8.205 7.838 0.367 1
1 26 . 6 1 1 A 10 10 SER CA C 10 58.390 60.170 -1.780 1
1 27 . 6 1 1 A 10 10 SER HA H 10 4.400 4.353 0.047 1
1 28 . 6 1 1 A 10 10 SER CB C 10 63.777 63.547 0.230 1
1 31 . 6 1 1 A 10 10 SER C C 10 174.207 174.432 -0.225 1
1 32 . 6 1 1 A 11 11 LYS N N 11 123.340 125.398 -2.058 1
1 33 . 6 1 1 A 11 11 LYS H H 11 8.288 8.298 -0.010 1
1 34 . 6 1 1 A 11 11 LYS CA C 11 55.992 56.289 -0.297 1
1 35 . 6 1 1 A 11 11 LYS HA H 11 4.254 4.074 0.180 1
1 36 . 6 1 1 A 11 11 LYS CB C 11 33.080 32.769 0.311 1
1 48 . 6 1 1 A 11 11 LYS C C 11 175.464 175.964 -0.500 1
1 49 . 6 1 1 A 12 12 SER N N 12 115.376 115.651 -0.275 1
1 50 . 6 1 1 A 12 12 SER H H 12 7.783 8.390 -0.607 1
1 51 . 6 1 1 A 12 12 SER CA C 12 57.470 57.605 -0.135 1
1 52 . 6 1 1 A 12 12 SER HA H 12 4.484 4.917 -0.433 1
1 53 . 6 1 1 A 12 12 SER CB C 12 64.666 65.382 -0.716 1
1 56 . 6 1 1 A 12 12 SER C C 12 172.585 172.643 -0.058 1
1 57 . 6 1 1 A 13 13 TYR N N 13 122.308 126.087 -3.779 1
1 58 . 6 1 1 A 13 13 TYR H H 13 8.678 8.429 0.249 1
1 59 . 6 1 1 A 13 13 TYR CA C 13 57.124 58.661 -1.537 1
1 60 . 6 1 1 A 13 13 TYR HA H 13 4.644 4.866 -0.222 1
1 61 . 6 1 1 A 13 13 TYR CB C 13 39.856 39.831 0.025 1
1 72 . 6 1 1 A 13 13 TYR C C 13 174.849 175.785 -0.936 1
1 73 . 6 1 1 A 14 14 ASN N N 14 121.239 117.184 4.055 1
1 74 . 6 1 1 A 14 14 ASN H H 14 8.692 9.334 -0.642 1
1 75 . 6 1 1 A 14 14 ASN CA C 14 52.525 51.982 0.543 1
1 76 . 6 1 1 A 14 14 ASN HA H 14 5.463 5.598 -0.135 1
1 77 . 6 1 1 A 14 14 ASN CB C 14 40.600 42.859 -2.259 1
1 83 . 6 1 1 A 14 14 ASN C C 14 174.400 173.357 1.043 1
1 84 . 6 1 1 A 15 15 CYS N N 15 124.052 121.415 2.637 1
1 85 . 6 1 1 A 15 15 CYS H H 15 9.215 9.481 -0.266 1
1 86 . 6 1 1 A 15 15 CYS CA C 15 59.463 59.822 -0.359 1
1 87 . 6 1 1 A 15 15 CYS HA H 15 4.541 4.539 0.002 1
1 88 . 6 1 1 A 15 15 CYS CB C 15 29.688 28.248 1.440 1
1 91 . 6 1 1 A 15 15 CYS C C 15 177.069 176.558 0.511 1
1 92 . 6 1 1 A 16 16 ASN N N 16 130.116 122.059 8.057 1
1 93 . 6 1 1 A 16 16 ASN H H 16 9.386 8.625 0.761 1
1 94 . 6 1 1 A 16 16 ASN CA C 16 55.613 52.041 3.572 1
1 95 . 6 1 1 A 16 16 ASN HA H 16 4.515 4.984 -0.469 1
1 96 . 6 1 1 A 16 16 ASN CB C 16 38.236 38.009 0.227 1
1 102 . 6 1 1 A 16 16 ASN C C 16 175.385 174.778 0.607 1
1 103 . 6 1 1 A 17 17 GLU N N 17 120.832 117.154 3.678 1
1 104 . 6 1 1 A 17 17 GLU H H 17 8.687 7.484 1.203 1
1 105 . 6 1 1 A 17 17 GLU CA C 17 58.362 57.066 1.296 1
1 106 . 6 1 1 A 17 17 GLU HA H 17 4.224 4.411 -0.187 1
1 107 . 6 1 1 A 17 17 GLU CB C 17 29.626 31.005 -1.379 1
1 113 . 6 1 1 A 17 17 GLU C C 17 177.037 177.575 -0.538 1
1 114 . 6 1 1 A 18 18 CYS N N 18 114.739 115.159 -0.420 1
1 115 . 6 1 1 A 18 18 CYS H H 18 7.888 7.657 0.231 1
1 116 . 6 1 1 A 18 18 CYS CA C 18 58.338 59.769 -1.431 1
1 117 . 6 1 1 A 18 18 CYS HA H 18 5.145 4.688 0.457 1
1 118 . 6 1 1 A 18 18 CYS CB C 18 32.372 29.977 2.395 1
1 121 . 6 1 1 A 18 18 CYS C C 18 176.190 175.395 0.795 1
1 122 . 6 1 1 A 19 19 GLY N N 19 113.385 109.696 3.689 1
1 123 . 6 1 1 A 19 19 GLY H H 19 8.188 8.140 0.048 1
1 124 . 6 1 1 A 19 19 GLY CA C 19 46.207 45.552 0.655 1
1 125 . 6 1 1 A 19 19 GLY HA2 H 19 3.890 4.063 -0.173 1
1 126 . 6 1 1 A 19 19 GLY HA3 H 19 4.212 4.071 0.141 1
1 127 . 6 1 1 A 19 19 GLY C C 19 174.091 174.165 -0.074 1
1 128 . 6 1 1 A 20 20 LYS N N 20 123.027 120.653 2.374 1
1 129 . 6 1 1 A 20 20 LYS H H 20 7.879 7.770 0.109 1
1 130 . 6 1 1 A 20 20 LYS CA C 20 58.200 54.786 3.414 1
1 131 . 6 1 1 A 20 20 LYS HA H 20 3.916 4.523 -0.607 1
1 132 . 6 1 1 A 20 20 LYS CB C 20 33.874 34.416 -0.542 1
1 144 . 6 1 1 A 20 20 LYS C C 20 173.619 174.980 -1.361 1
1 145 . 6 1 1 A 21 21 ALA N N 21 124.096 129.864 -5.768 1
1 146 . 6 1 1 A 21 21 ALA H H 21 7.788 8.767 -0.979 1
1 147 . 6 1 1 A 21 21 ALA CA C 21 50.996 50.956 0.040 1
1 148 . 6 1 1 A 21 21 ALA HA H 21 4.931 4.924 0.007 1
1 149 . 6 1 1 A 21 21 ALA CB C 21 21.943 20.128 1.815 1
1 153 . 6 1 1 A 21 21 ALA C C 21 176.797 176.963 -0.166 1
1 154 . 6 1 1 A 22 22 PHE N N 22 117.342 121.282 -3.940 1
1 155 . 6 1 1 A 22 22 PHE H H 22 8.610 9.128 -0.518 1
1 156 . 6 1 1 A 22 22 PHE CA C 22 57.093 57.186 -0.093 1
1 157 . 6 1 1 A 22 22 PHE HA H 22 4.858 4.935 -0.077 1
1 158 . 6 1 1 A 22 22 PHE CB C 22 43.718 41.405 2.313 1
1 171 . 6 1 1 A 22 22 PHE C C 22 175.933 176.550 -0.617 1
1 172 . 6 1 1 A 23 23 THR CA C 23 62.823 63.276 -0.453 1
1 173 . 6 1 1 A 23 23 THR HA H 23 4.685 4.417 0.268 1
1 174 . 6 1 1 A 23 23 THR CB C 23 69.904 69.173 0.731 1
1 180 . 6 1 1 A 23 23 THR C C 23 175.088 175.099 -0.011 1
1 181 . 6 1 1 A 24 24 ARG N N 24 116.983 120.987 -4.004 1
1 182 . 6 1 1 A 24 24 ARG H H 24 7.249 7.647 -0.398 1
1 183 . 6 1 1 A 24 24 ARG CA C 24 53.376 54.113 -0.737 1
1 184 . 6 1 1 A 24 24 ARG HA H 24 4.789 4.746 0.043 1
1 185 . 6 1 1 A 24 24 ARG CB C 24 33.354 32.373 0.981 1
1 194 . 6 1 1 A 24 24 ARG C C 24 177.127 176.477 0.650 1
1 195 . 6 1 1 A 25 25 ILE N N 25 126.047 124.123 1.924 1
1 196 . 6 1 1 A 25 25 ILE H H 25 8.578 8.203 0.375 1
1 197 . 6 1 1 A 25 25 ILE CA C 25 63.728 62.865 0.863 1
1 198 . 6 1 1 A 25 25 ILE HA H 25 3.203 3.333 -0.130 1
1 199 . 6 1 1 A 25 25 ILE CB C 25 37.142 38.214 -1.072 1
1 212 . 6 1 1 A 25 25 ILE C C 25 176.844 177.188 -0.344 1
1 213 . 6 1 1 A 26 26 PHE CA C 26 59.118 59.946 -0.828 1
1 214 . 6 1 1 A 26 26 PHE HA H 26 4.429 4.247 0.182 1
1 215 . 6 1 1 A 26 26 PHE CB C 26 38.494 37.820 0.674 1
1 224 . 6 1 1 A 26 26 PHE C C 26 177.609 177.264 0.345 1
1 225 . 6 1 1 A 27 27 HIS N N 27 117.282 120.018 -2.736 1
1 226 . 6 1 1 A 27 27 HIS H H 27 6.564 7.039 -0.475 1
1 227 . 6 1 1 A 27 27 HIS CA C 27 57.363 59.539 -2.176 1
1 228 . 6 1 1 A 27 27 HIS HA H 27 4.358 4.285 0.073 1
1 229 . 6 1 1 A 27 27 HIS CB C 27 31.719 29.650 2.069 1
1 234 . 6 1 1 A 27 27 HIS C C 27 178.164 176.901 1.263 1
1 235 . 6 1 1 A 28 28 LEU N N 28 122.177 119.773 2.404 1
1 236 . 6 1 1 A 28 28 LEU H H 28 7.044 7.666 -0.622 1
1 237 . 6 1 1 A 28 28 LEU CA C 28 58.040 57.054 0.986 1
1 238 . 6 1 1 A 28 28 LEU HA H 28 3.196 2.264 0.932 1
1 239 . 6 1 1 A 28 28 LEU CB C 28 40.283 41.663 -1.380 1
1 252 . 6 1 1 A 28 28 LEU C C 28 177.790 178.318 -0.528 1
1 253 . 6 1 1 A 29 29 THR N N 29 114.476 114.896 -0.420 1
1 254 . 6 1 1 A 29 29 THR H H 29 8.616 7.620 0.996 1
1 255 . 6 1 1 A 29 29 THR CA C 29 66.015 66.993 -0.978 1
1 256 . 6 1 1 A 29 29 THR HA H 29 3.943 3.843 0.100 1
1 257 . 6 1 1 A 29 29 THR CB C 29 68.316 68.373 -0.057 1
1 263 . 6 1 1 A 29 29 THR C C 29 177.269 177.353 -0.084 1
1 264 . 6 1 1 A 30 30 ARG N N 30 120.519 120.426 0.093 1
1 265 . 6 1 1 A 30 30 ARG H H 30 7.354 8.740 -1.386 1
1 266 . 6 1 1 A 30 30 ARG CA C 30 59.260 57.809 1.451 1
1 267 . 6 1 1 A 30 30 ARG HA H 30 3.948 4.227 -0.279 1
1 268 . 6 1 1 A 30 30 ARG CB C 30 30.125 28.957 1.168 1
1 277 . 6 1 1 A 30 30 ARG C C 30 178.650 178.238 0.412 1
1 278 . 6 1 1 A 31 31 HIS N N 31 119.426 120.091 -0.665 1
1 279 . 6 1 1 A 31 31 HIS H H 31 7.522 7.923 -0.401 1
1 280 . 6 1 1 A 31 31 HIS CA C 31 59.079 59.178 -0.099 1
1 281 . 6 1 1 A 31 31 HIS HA H 31 4.191 4.253 -0.062 1
1 282 . 6 1 1 A 31 31 HIS CB C 31 28.539 30.193 -1.654 1
1 289 . 6 1 1 A 31 31 HIS C C 31 176.154 177.420 -1.266 1
1 290 . 6 1 1 A 32 32 GLN N N 32 114.933 118.216 -3.283 1
1 291 . 6 1 1 A 32 32 GLN H H 32 8.342 8.045 0.297 1
1 292 . 6 1 1 A 32 32 GLN CA C 32 59.352 58.835 0.517 1
1 293 . 6 1 1 A 32 32 GLN HA H 32 3.629 3.808 -0.179 1
1 294 . 6 1 1 A 32 32 GLN CB C 32 28.360 28.394 -0.034 1
1 303 . 6 1 1 A 32 32 GLN C C 32 177.376 178.708 -1.332 1
1 304 . 6 1 1 A 33 33 LYS N N 33 117.471 119.511 -2.040 1
1 305 . 6 1 1 A 33 33 LYS H H 33 7.047 8.005 -0.958 1
1 306 . 6 1 1 A 33 33 LYS CA C 33 58.359 58.916 -0.557 1
1 307 . 6 1 1 A 33 33 LYS HA H 33 4.059 4.044 0.015 1
1 308 . 6 1 1 A 33 33 LYS CB C 33 32.214 32.726 -0.512 1
1 320 . 6 1 1 A 33 33 LYS C C 33 178.607 179.248 -0.641 1
1 321 . 6 1 1 A 34 34 ILE N N 34 115.534 116.608 -1.074 1
1 322 . 6 1 1 A 34 34 ILE H H 34 7.799 7.710 0.089 1
1 323 . 6 1 1 A 34 34 ILE CA C 34 62.935 63.749 -0.814 1
1 324 . 6 1 1 A 34 34 ILE HA H 34 3.978 3.833 0.145 1
1 325 . 6 1 1 A 34 34 ILE CB C 34 37.719 37.071 0.648 1
1 338 . 6 1 1 A 34 34 ILE C C 34 177.151 177.950 -0.799 1
1 339 . 6 1 1 A 35 35 HIS N N 35 117.940 119.339 -1.399 1
1 340 . 6 1 1 A 35 35 HIS H H 35 7.211 7.729 -0.518 1
1 341 . 6 1 1 A 35 35 HIS CA C 35 54.796 58.812 -4.016 1
1 342 . 6 1 1 A 35 35 HIS HA H 35 4.831 4.390 0.441 1
1 343 . 6 1 1 A 35 35 HIS CB C 35 28.553 30.942 -2.389 1
1 350 . 6 1 1 A 35 35 HIS C C 35 175.116 176.187 -1.071 1
1 351 . 6 1 1 A 36 36 THR N N 36 113.656 111.334 2.322 1
1 352 . 6 1 1 A 36 36 THR H H 36 7.712 7.964 -0.252 1
1 353 . 6 1 1 A 36 36 THR CA C 36 62.445 62.719 -0.274 1
1 354 . 6 1 1 A 36 36 THR HA H 36 4.288 4.198 0.090 1
1 355 . 6 1 1 A 36 36 THR CB C 36 69.822 69.478 0.344 1
1 361 . 6 1 1 A 36 36 THR C C 36 174.481 174.465 0.016 1
1 362 . 6 1 1 A 37 37 ARG N N 37 123.945 129.750 -5.805 1
1 363 . 6 1 1 A 37 37 ARG H H 37 8.264 8.755 -0.491 1
1 364 . 6 1 1 A 37 37 ARG CA C 37 56.202 54.927 1.275 1
1 365 . 6 1 1 A 37 37 ARG HA H 37 4.357 4.419 -0.062 1
1 366 . 6 1 1 A 37 37 ARG CB C 37 30.808 28.635 2.173 1
1 375 . 6 1 1 A 38 38 LYS N N 38 128.503 115.125 13.378 1
1 376 . 6 1 1 A 38 38 LYS H H 38 8.048 8.090 -0.042 1
1 377 . 6 1 1 A 38 38 LYS CA C 38 57.651 57.054 0.597 1
1 378 . 6 1 1 A 38 38 LYS HA H 38 4.147 3.992 0.155 1
1 379 . 6 1 1 A 38 38 LYS CB C 38 33.710 29.363 4.347 1
1 391 . 6 1 1 A 40 40 GLY CA C 40 44.605 43.965 0.640 1
1 392 . 6 1 1 A 40 40 GLY HA2 H 40 4.130 4.088 0.042 1
1 393 . 6 1 1 A 40 40 GLY HA3 H 40 4.130 4.088 0.042 1
1 394 . 6 1 1 A 41 41 PRO CA C 41 63.289 63.590 -0.301 1
1 395 . 6 1 1 A 41 41 PRO HA H 41 4.468 4.550 -0.082 1
1 396 . 6 1 1 A 41 41 PRO CB C 41 32.206 32.121 0.085 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.484 47.392 -1.908 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.025 3.799 0.226 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.025 3.800 0.225 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.529 173.613 0.916 1
1 5 . 7 1 1 A 8 8 THR N N 8 113.203 116.718 -3.515 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.121 8.313 -0.192 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.909 61.350 0.559 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.352 4.903 -0.551 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.714 71.445 -1.731 1
1 15 . 7 1 1 A 8 8 THR C C 8 174.447 172.083 2.364 1
1 16 . 7 1 1 A 9 9 ASP N N 9 122.758 128.431 -5.673 1
1 17 . 7 1 1 A 9 9 ASP H H 9 8.411 9.037 -0.626 1
1 18 . 7 1 1 A 9 9 ASP CA C 9 54.415 52.657 1.758 1
1 19 . 7 1 1 A 9 9 ASP HA H 9 4.660 5.608 -0.948 1
1 20 . 7 1 1 A 9 9 ASP CB C 9 41.177 44.116 -2.939 1
1 23 . 7 1 1 A 9 9 ASP C C 9 176.142 174.602 1.540 1
1 24 . 7 1 1 A 10 10 SER N N 10 116.278 119.656 -3.378 1
1 25 . 7 1 1 A 10 10 SER H H 10 8.205 8.733 -0.528 1
1 26 . 7 1 1 A 10 10 SER CA C 10 58.390 57.429 0.961 1
1 27 . 7 1 1 A 10 10 SER HA H 10 4.400 4.985 -0.585 1
1 28 . 7 1 1 A 10 10 SER CB C 10 63.777 67.160 -3.383 1
1 31 . 7 1 1 A 10 10 SER C C 10 174.207 173.633 0.574 1
1 32 . 7 1 1 A 11 11 LYS N N 11 123.340 122.540 0.800 1
1 33 . 7 1 1 A 11 11 LYS H H 11 8.288 8.213 0.075 1
1 34 . 7 1 1 A 11 11 LYS CA C 11 55.992 56.441 -0.449 1
1 35 . 7 1 1 A 11 11 LYS HA H 11 4.254 4.009 0.245 1
1 36 . 7 1 1 A 11 11 LYS CB C 11 33.080 32.769 0.311 1
1 48 . 7 1 1 A 11 11 LYS C C 11 175.464 176.353 -0.889 1
1 49 . 7 1 1 A 12 12 SER N N 12 115.376 116.415 -1.039 1
1 50 . 7 1 1 A 12 12 SER H H 12 7.783 8.746 -0.963 1
1 51 . 7 1 1 A 12 12 SER CA C 12 57.470 57.681 -0.211 1
1 52 . 7 1 1 A 12 12 SER HA H 12 4.484 4.735 -0.251 1
1 53 . 7 1 1 A 12 12 SER CB C 12 64.666 66.423 -1.757 1
1 56 . 7 1 1 A 12 12 SER C C 12 172.585 172.215 0.370 1
1 57 . 7 1 1 A 13 13 TYR N N 13 122.308 124.948 -2.640 1
1 58 . 7 1 1 A 13 13 TYR H H 13 8.678 8.086 0.592 1
1 59 . 7 1 1 A 13 13 TYR CA C 13 57.124 57.422 -0.298 1
1 60 . 7 1 1 A 13 13 TYR HA H 13 4.644 5.231 -0.587 1
1 61 . 7 1 1 A 13 13 TYR CB C 13 39.856 39.755 0.101 1
1 72 . 7 1 1 A 13 13 TYR C C 13 174.849 175.896 -1.047 1
1 73 . 7 1 1 A 14 14 ASN N N 14 121.239 121.701 -0.462 1
1 74 . 7 1 1 A 14 14 ASN H H 14 8.692 9.170 -0.478 1
1 75 . 7 1 1 A 14 14 ASN CA C 14 52.525 52.056 0.469 1
1 76 . 7 1 1 A 14 14 ASN HA H 14 5.463 5.598 -0.135 1
1 77 . 7 1 1 A 14 14 ASN CB C 14 40.600 42.123 -1.523 1
1 83 . 7 1 1 A 14 14 ASN C C 14 174.400 173.564 0.836 1
1 84 . 7 1 1 A 15 15 CYS N N 15 124.052 119.905 4.147 1
1 85 . 7 1 1 A 15 15 CYS H H 15 9.215 9.226 -0.011 1
1 86 . 7 1 1 A 15 15 CYS CA C 15 59.463 57.882 1.581 1
1 87 . 7 1 1 A 15 15 CYS HA H 15 4.541 5.128 -0.587 1
1 88 . 7 1 1 A 15 15 CYS CB C 15 29.688 30.294 -0.606 1
1 91 . 7 1 1 A 15 15 CYS C C 15 177.069 174.785 2.284 1
1 92 . 7 1 1 A 16 16 ASN N N 16 130.116 125.080 5.036 1
1 93 . 7 1 1 A 16 16 ASN H H 16 9.386 8.874 0.512 1
1 94 . 7 1 1 A 16 16 ASN CA C 16 55.613 53.998 1.615 1
1 95 . 7 1 1 A 16 16 ASN HA H 16 4.515 4.891 -0.376 1
1 96 . 7 1 1 A 16 16 ASN CB C 16 38.236 39.194 -0.958 1
1 102 . 7 1 1 A 16 16 ASN C C 16 175.385 177.036 -1.651 1
1 103 . 7 1 1 A 17 17 GLU N N 17 120.832 120.216 0.616 1
1 104 . 7 1 1 A 17 17 GLU H H 17 8.687 8.234 0.453 1
1 105 . 7 1 1 A 17 17 GLU CA C 17 58.362 59.186 -0.824 1
1 106 . 7 1 1 A 17 17 GLU HA H 17 4.224 3.919 0.305 1
1 107 . 7 1 1 A 17 17 GLU CB C 17 29.626 28.827 0.799 1
1 113 . 7 1 1 A 17 17 GLU C C 17 177.037 178.130 -1.093 1
1 114 . 7 1 1 A 18 18 CYS N N 18 114.739 114.643 0.096 1
1 115 . 7 1 1 A 18 18 CYS H H 18 7.888 7.444 0.444 1
1 116 . 7 1 1 A 18 18 CYS CA C 18 58.338 59.562 -1.224 1
1 117 . 7 1 1 A 18 18 CYS HA H 18 5.145 4.746 0.399 1
1 118 . 7 1 1 A 18 18 CYS CB C 18 32.372 30.148 2.224 1
1 121 . 7 1 1 A 18 18 CYS C C 18 176.190 175.562 0.628 1
1 122 . 7 1 1 A 19 19 GLY N N 19 113.385 110.091 3.294 1
1 123 . 7 1 1 A 19 19 GLY H H 19 8.188 8.416 -0.228 1
1 124 . 7 1 1 A 19 19 GLY CA C 19 46.207 46.159 0.048 1
1 125 . 7 1 1 A 19 19 GLY HA2 H 19 3.890 4.003 -0.113 1
1 126 . 7 1 1 A 19 19 GLY HA3 H 19 4.212 4.010 0.202 1
1 127 . 7 1 1 A 19 19 GLY C C 19 174.091 173.852 0.239 1
1 128 . 7 1 1 A 20 20 LYS N N 20 123.027 119.960 3.067 1
1 129 . 7 1 1 A 20 20 LYS H H 20 7.879 7.607 0.272 1
1 130 . 7 1 1 A 20 20 LYS CA C 20 58.200 54.464 3.736 1
1 131 . 7 1 1 A 20 20 LYS HA H 20 3.916 4.724 -0.808 1
1 132 . 7 1 1 A 20 20 LYS CB C 20 33.874 35.354 -1.480 1
1 144 . 7 1 1 A 20 20 LYS C C 20 173.619 174.131 -0.512 1
1 145 . 7 1 1 A 21 21 ALA N N 21 124.096 127.339 -3.243 1
1 146 . 7 1 1 A 21 21 ALA H H 21 7.788 8.550 -0.762 1
1 147 . 7 1 1 A 21 21 ALA CA C 21 50.996 49.799 1.197 1
1 148 . 7 1 1 A 21 21 ALA HA H 21 4.931 5.170 -0.239 1
1 149 . 7 1 1 A 21 21 ALA CB C 21 21.943 21.403 0.540 1
1 153 . 7 1 1 A 21 21 ALA C C 21 176.797 176.150 0.647 1
1 154 . 7 1 1 A 22 22 PHE N N 22 117.342 119.262 -1.920 1
1 155 . 7 1 1 A 22 22 PHE H H 22 8.610 8.707 -0.097 1
1 156 . 7 1 1 A 22 22 PHE CA C 22 57.093 56.789 0.304 1
1 157 . 7 1 1 A 22 22 PHE HA H 22 4.858 4.834 0.024 1
1 158 . 7 1 1 A 22 22 PHE CB C 22 43.718 42.083 1.635 1
1 171 . 7 1 1 A 22 22 PHE C C 22 175.933 175.918 0.015 1
1 172 . 7 1 1 A 23 23 THR CA C 23 62.823 66.565 -3.742 1
1 173 . 7 1 1 A 23 23 THR HA H 23 4.685 4.021 0.664 1
1 174 . 7 1 1 A 23 23 THR CB C 23 69.904 69.000 0.904 1
1 180 . 7 1 1 A 23 23 THR C C 23 175.088 175.122 -0.034 1
1 181 . 7 1 1 A 24 24 ARG N N 24 116.983 118.449 -1.466 1
1 182 . 7 1 1 A 24 24 ARG H H 24 7.249 7.957 -0.708 1
1 183 . 7 1 1 A 24 24 ARG CA C 24 53.376 54.059 -0.683 1
1 184 . 7 1 1 A 24 24 ARG HA H 24 4.789 4.653 0.136 1
1 185 . 7 1 1 A 24 24 ARG CB C 24 33.354 31.496 1.858 1
1 194 . 7 1 1 A 24 24 ARG C C 24 177.127 176.997 0.130 1
1 195 . 7 1 1 A 25 25 ILE N N 25 126.047 124.161 1.886 1
1 196 . 7 1 1 A 25 25 ILE H H 25 8.578 7.906 0.672 1
1 197 . 7 1 1 A 25 25 ILE CA C 25 63.728 62.363 1.365 1
1 198 . 7 1 1 A 25 25 ILE HA H 25 3.203 3.740 -0.537 1
1 199 . 7 1 1 A 25 25 ILE CB C 25 37.142 38.187 -1.045 1
1 212 . 7 1 1 A 25 25 ILE C C 25 176.844 177.557 -0.713 1
1 213 . 7 1 1 A 26 26 PHE CA C 26 59.118 60.250 -1.132 1
1 214 . 7 1 1 A 26 26 PHE HA H 26 4.429 4.181 0.248 1
1 215 . 7 1 1 A 26 26 PHE CB C 26 38.494 39.143 -0.649 1
1 224 . 7 1 1 A 26 26 PHE C C 26 177.609 178.135 -0.526 1
1 225 . 7 1 1 A 27 27 HIS N N 27 117.282 117.352 -0.070 1
1 226 . 7 1 1 A 27 27 HIS H H 27 6.564 8.218 -1.654 1
1 227 . 7 1 1 A 27 27 HIS CA C 27 57.363 59.464 -2.101 1
1 228 . 7 1 1 A 27 27 HIS HA H 27 4.358 4.162 0.196 1
1 229 . 7 1 1 A 27 27 HIS CB C 27 31.719 30.183 1.536 1
1 234 . 7 1 1 A 27 27 HIS C C 27 178.164 177.585 0.579 1
1 235 . 7 1 1 A 28 28 LEU N N 28 122.177 120.094 2.083 1
1 236 . 7 1 1 A 28 28 LEU H H 28 7.044 7.779 -0.735 1
1 237 . 7 1 1 A 28 28 LEU CA C 28 58.040 57.878 0.162 1
1 238 . 7 1 1 A 28 28 LEU HA H 28 3.196 3.098 0.098 1
1 239 . 7 1 1 A 28 28 LEU CB C 28 40.283 41.353 -1.070 1
1 252 . 7 1 1 A 28 28 LEU C C 28 177.790 178.503 -0.713 1
1 253 . 7 1 1 A 29 29 THR N N 29 114.476 114.761 -0.285 1
1 254 . 7 1 1 A 29 29 THR H H 29 8.616 8.038 0.578 1
1 255 . 7 1 1 A 29 29 THR CA C 29 66.015 66.836 -0.821 1
1 256 . 7 1 1 A 29 29 THR HA H 29 3.943 3.855 0.088 1
1 257 . 7 1 1 A 29 29 THR CB C 29 68.316 68.384 -0.068 1
1 263 . 7 1 1 A 29 29 THR C C 29 177.269 176.288 0.981 1
1 264 . 7 1 1 A 30 30 ARG N N 30 120.519 121.041 -0.522 1
1 265 . 7 1 1 A 30 30 ARG H H 30 7.354 7.545 -0.191 1
1 266 . 7 1 1 A 30 30 ARG CA C 30 59.260 59.411 -0.151 1
1 267 . 7 1 1 A 30 30 ARG HA H 30 3.948 4.020 -0.072 1
1 268 . 7 1 1 A 30 30 ARG CB C 30 30.125 29.364 0.761 1
1 277 . 7 1 1 A 30 30 ARG C C 30 178.650 178.270 0.380 1
1 278 . 7 1 1 A 31 31 HIS N N 31 119.426 120.635 -1.209 1
1 279 . 7 1 1 A 31 31 HIS H H 31 7.522 8.460 -0.938 1
1 280 . 7 1 1 A 31 31 HIS CA C 31 59.079 59.980 -0.901 1
1 281 . 7 1 1 A 31 31 HIS HA H 31 4.191 4.117 0.074 1
1 282 . 7 1 1 A 31 31 HIS CB C 31 28.539 29.948 -1.409 1
1 289 . 7 1 1 A 31 31 HIS C C 31 176.154 176.496 -0.342 1
1 290 . 7 1 1 A 32 32 GLN N N 32 114.933 116.972 -2.039 1
1 291 . 7 1 1 A 32 32 GLN H H 32 8.342 8.390 -0.048 1
1 292 . 7 1 1 A 32 32 GLN CA C 32 59.352 59.154 0.198 1
1 293 . 7 1 1 A 32 32 GLN HA H 32 3.629 3.876 -0.247 1
1 294 . 7 1 1 A 32 32 GLN CB C 32 28.360 28.326 0.034 1
1 303 . 7 1 1 A 32 32 GLN C C 32 177.376 178.561 -1.185 1
1 304 . 7 1 1 A 33 33 LYS N N 33 117.471 119.499 -2.028 1
1 305 . 7 1 1 A 33 33 LYS H H 33 7.047 7.911 -0.864 1
1 306 . 7 1 1 A 33 33 LYS CA C 33 58.359 59.192 -0.833 1
1 307 . 7 1 1 A 33 33 LYS HA H 33 4.059 4.046 0.013 1
1 308 . 7 1 1 A 33 33 LYS CB C 33 32.214 32.515 -0.301 1
1 320 . 7 1 1 A 33 33 LYS C C 33 178.607 179.386 -0.779 1
1 321 . 7 1 1 A 34 34 ILE N N 34 115.534 116.653 -1.119 1
1 322 . 7 1 1 A 34 34 ILE H H 34 7.799 8.303 -0.504 1
1 323 . 7 1 1 A 34 34 ILE CA C 34 62.935 64.125 -1.190 1
1 324 . 7 1 1 A 34 34 ILE HA H 34 3.978 3.849 0.129 1
1 325 . 7 1 1 A 34 34 ILE CB C 34 37.719 37.336 0.383 1
1 338 . 7 1 1 A 34 34 ILE C C 34 177.151 176.332 0.819 1
1 339 . 7 1 1 A 35 35 HIS N N 35 117.940 120.848 -2.908 1
1 340 . 7 1 1 A 35 35 HIS H H 35 7.211 7.542 -0.331 1
1 341 . 7 1 1 A 35 35 HIS CA C 35 54.796 55.263 -0.467 1
1 342 . 7 1 1 A 35 35 HIS HA H 35 4.831 4.582 0.249 1
1 343 . 7 1 1 A 35 35 HIS CB C 35 28.553 28.058 0.495 1
1 350 . 7 1 1 A 35 35 HIS C C 35 175.116 173.965 1.151 1
1 351 . 7 1 1 A 36 36 THR N N 36 113.656 112.940 0.716 1
1 352 . 7 1 1 A 36 36 THR H H 36 7.712 8.036 -0.324 1
1 353 . 7 1 1 A 36 36 THR CA C 36 62.445 60.573 1.872 1
1 354 . 7 1 1 A 36 36 THR HA H 36 4.288 4.966 -0.678 1
1 355 . 7 1 1 A 36 36 THR CB C 36 69.822 71.220 -1.398 1
1 361 . 7 1 1 A 36 36 THR C C 36 174.481 173.112 1.369 1
1 362 . 7 1 1 A 37 37 ARG N N 37 123.945 126.594 -2.649 1
1 363 . 7 1 1 A 37 37 ARG H H 37 8.264 8.559 -0.295 1
1 364 . 7 1 1 A 37 37 ARG CA C 37 56.202 56.285 -0.083 1
1 365 . 7 1 1 A 37 37 ARG HA H 37 4.357 4.330 0.027 1
1 366 . 7 1 1 A 37 37 ARG CB C 37 30.808 31.057 -0.249 1
1 375 . 7 1 1 A 38 38 LYS N N 38 128.503 123.782 4.721 1
1 376 . 7 1 1 A 38 38 LYS H H 38 8.048 8.671 -0.623 1
1 377 . 7 1 1 A 38 38 LYS CA C 38 57.651 56.766 0.885 1
1 378 . 7 1 1 A 38 38 LYS HA H 38 4.147 4.484 -0.337 1
1 379 . 7 1 1 A 38 38 LYS CB C 38 33.710 33.277 0.433 1
1 391 . 7 1 1 A 40 40 GLY CA C 40 44.605 44.422 0.183 1
1 392 . 7 1 1 A 40 40 GLY HA2 H 40 4.130 4.090 0.040 1
1 393 . 7 1 1 A 40 40 GLY HA3 H 40 4.130 4.091 0.039 1
1 394 . 7 1 1 A 41 41 PRO CA C 41 63.289 63.791 -0.502 1
1 395 . 7 1 1 A 41 41 PRO HA H 41 4.468 4.543 -0.075 1
1 396 . 7 1 1 A 41 41 PRO CB C 41 32.206 31.934 0.272 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.484 45.470 0.014 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.025 4.119 -0.094 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.025 4.120 -0.095 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.529 173.131 1.398 1
1 5 . 8 1 1 A 8 8 THR N N 8 113.203 114.921 -1.718 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.121 8.506 -0.385 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.909 60.700 1.209 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.352 5.157 -0.805 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.714 70.106 -0.392 1
1 15 . 8 1 1 A 8 8 THR C C 8 174.447 174.774 -0.327 1
1 16 . 8 1 1 A 9 9 ASP N N 9 122.758 125.225 -2.467 1
1 17 . 8 1 1 A 9 9 ASP H H 9 8.411 8.878 -0.467 1
1 18 . 8 1 1 A 9 9 ASP CA C 9 54.415 53.785 0.630 1
1 19 . 8 1 1 A 9 9 ASP HA H 9 4.660 4.903 -0.243 1
1 20 . 8 1 1 A 9 9 ASP CB C 9 41.177 41.625 -0.448 1
1 23 . 8 1 1 A 9 9 ASP C C 9 176.142 174.769 1.373 1
1 24 . 8 1 1 A 10 10 SER N N 10 116.278 115.176 1.102 1
1 25 . 8 1 1 A 10 10 SER H H 10 8.205 7.636 0.569 1
1 26 . 8 1 1 A 10 10 SER CA C 10 58.390 57.080 1.310 1
1 27 . 8 1 1 A 10 10 SER HA H 10 4.400 4.731 -0.331 1
1 28 . 8 1 1 A 10 10 SER CB C 10 63.777 65.976 -2.199 1
1 31 . 8 1 1 A 10 10 SER C C 10 174.207 172.561 1.646 1
1 32 . 8 1 1 A 11 11 LYS N N 11 123.340 122.117 1.223 1
1 33 . 8 1 1 A 11 11 LYS H H 11 8.288 8.351 -0.063 1
1 34 . 8 1 1 A 11 11 LYS CA C 11 55.992 55.871 0.121 1
1 35 . 8 1 1 A 11 11 LYS HA H 11 4.254 4.499 -0.245 1
1 36 . 8 1 1 A 11 11 LYS CB C 11 33.080 33.480 -0.400 1
1 48 . 8 1 1 A 11 11 LYS C C 11 175.464 175.806 -0.342 1
1 49 . 8 1 1 A 12 12 SER N N 12 115.376 112.399 2.977 1
1 50 . 8 1 1 A 12 12 SER H H 12 7.783 8.410 -0.627 1
1 51 . 8 1 1 A 12 12 SER CA C 12 57.470 57.435 0.035 1
1 52 . 8 1 1 A 12 12 SER HA H 12 4.484 4.794 -0.310 1
1 53 . 8 1 1 A 12 12 SER CB C 12 64.666 66.338 -1.672 1
1 56 . 8 1 1 A 12 12 SER C C 12 172.585 172.155 0.430 1
1 57 . 8 1 1 A 13 13 TYR N N 13 122.308 123.118 -0.810 1
1 58 . 8 1 1 A 13 13 TYR H H 13 8.678 8.179 0.499 1
1 59 . 8 1 1 A 13 13 TYR CA C 13 57.124 57.933 -0.809 1
1 60 . 8 1 1 A 13 13 TYR HA H 13 4.644 5.082 -0.438 1
1 61 . 8 1 1 A 13 13 TYR CB C 13 39.856 40.628 -0.772 1
1 72 . 8 1 1 A 13 13 TYR C C 13 174.849 175.527 -0.678 1
1 73 . 8 1 1 A 14 14 ASN N N 14 121.239 117.084 4.155 1
1 74 . 8 1 1 A 14 14 ASN H H 14 8.692 9.325 -0.633 1
1 75 . 8 1 1 A 14 14 ASN CA C 14 52.525 52.550 -0.025 1
1 76 . 8 1 1 A 14 14 ASN HA H 14 5.463 5.409 0.054 1
1 77 . 8 1 1 A 14 14 ASN CB C 14 40.600 41.642 -1.042 1
1 83 . 8 1 1 A 14 14 ASN C C 14 174.400 173.014 1.386 1
1 84 . 8 1 1 A 15 15 CYS N N 15 124.052 118.620 5.432 1
1 85 . 8 1 1 A 15 15 CYS H H 15 9.215 8.562 0.653 1
1 86 . 8 1 1 A 15 15 CYS CA C 15 59.463 57.426 2.037 1
1 87 . 8 1 1 A 15 15 CYS HA H 15 4.541 4.920 -0.379 1
1 88 . 8 1 1 A 15 15 CYS CB C 15 29.688 28.098 1.590 1
1 91 . 8 1 1 A 15 15 CYS C C 15 177.069 175.380 1.689 1
1 92 . 8 1 1 A 16 16 ASN N N 16 130.116 124.800 5.316 1
1 93 . 8 1 1 A 16 16 ASN H H 16 9.386 8.690 0.696 1
1 94 . 8 1 1 A 16 16 ASN CA C 16 55.613 55.772 -0.159 1
1 95 . 8 1 1 A 16 16 ASN HA H 16 4.515 4.411 0.104 1
1 96 . 8 1 1 A 16 16 ASN CB C 16 38.236 37.837 0.399 1
1 102 . 8 1 1 A 16 16 ASN C C 16 175.385 176.785 -1.400 1
1 103 . 8 1 1 A 17 17 GLU N N 17 120.832 119.193 1.639 1
1 104 . 8 1 1 A 17 17 GLU H H 17 8.687 8.468 0.219 1
1 105 . 8 1 1 A 17 17 GLU CA C 17 58.362 59.251 -0.889 1
1 106 . 8 1 1 A 17 17 GLU HA H 17 4.224 4.000 0.224 1
1 107 . 8 1 1 A 17 17 GLU CB C 17 29.626 28.939 0.687 1
1 113 . 8 1 1 A 17 17 GLU C C 17 177.037 178.614 -1.577 1
1 114 . 8 1 1 A 18 18 CYS N N 18 114.739 115.358 -0.619 1
1 115 . 8 1 1 A 18 18 CYS H H 18 7.888 7.581 0.307 1
1 116 . 8 1 1 A 18 18 CYS CA C 18 58.338 60.000 -1.662 1
1 117 . 8 1 1 A 18 18 CYS HA H 18 5.145 4.554 0.591 1
1 118 . 8 1 1 A 18 18 CYS CB C 18 32.372 29.396 2.976 1
1 121 . 8 1 1 A 18 18 CYS C C 18 176.190 175.372 0.818 1
1 122 . 8 1 1 A 19 19 GLY N N 19 113.385 110.013 3.372 1
1 123 . 8 1 1 A 19 19 GLY H H 19 8.188 8.577 -0.389 1
1 124 . 8 1 1 A 19 19 GLY CA C 19 46.207 45.768 0.439 1
1 125 . 8 1 1 A 19 19 GLY HA2 H 19 3.890 4.052 -0.162 1
1 126 . 8 1 1 A 19 19 GLY HA3 H 19 4.212 4.053 0.159 1
1 127 . 8 1 1 A 19 19 GLY C C 19 174.091 174.248 -0.157 1
1 128 . 8 1 1 A 20 20 LYS N N 20 123.027 119.807 3.220 1
1 129 . 8 1 1 A 20 20 LYS H H 20 7.879 7.869 0.010 1
1 130 . 8 1 1 A 20 20 LYS CA C 20 58.200 54.768 3.432 1
1 131 . 8 1 1 A 20 20 LYS HA H 20 3.916 4.408 -0.492 1
1 132 . 8 1 1 A 20 20 LYS CB C 20 33.874 34.427 -0.553 1
1 144 . 8 1 1 A 20 20 LYS C C 20 173.619 174.806 -1.187 1
1 145 . 8 1 1 A 21 21 ALA N N 21 124.096 128.470 -4.374 1
1 146 . 8 1 1 A 21 21 ALA H H 21 7.788 8.645 -0.857 1
1 147 . 8 1 1 A 21 21 ALA CA C 21 50.996 50.987 0.009 1
1 148 . 8 1 1 A 21 21 ALA HA H 21 4.931 4.839 0.092 1
1 149 . 8 1 1 A 21 21 ALA CB C 21 21.943 20.088 1.855 1
1 153 . 8 1 1 A 21 21 ALA C C 21 176.797 176.179 0.618 1
1 154 . 8 1 1 A 22 22 PHE N N 22 117.342 120.696 -3.354 1
1 155 . 8 1 1 A 22 22 PHE H H 22 8.610 8.864 -0.254 1
1 156 . 8 1 1 A 22 22 PHE CA C 22 57.093 56.614 0.479 1
1 157 . 8 1 1 A 22 22 PHE HA H 22 4.858 4.933 -0.075 1
1 158 . 8 1 1 A 22 22 PHE CB C 22 43.718 41.538 2.180 1
1 171 . 8 1 1 A 22 22 PHE C C 22 175.933 176.176 -0.243 1
1 172 . 8 1 1 A 23 23 THR CA C 23 62.823 64.502 -1.679 1
1 173 . 8 1 1 A 23 23 THR HA H 23 4.685 4.366 0.319 1
1 174 . 8 1 1 A 23 23 THR CB C 23 69.904 69.282 0.622 1
1 180 . 8 1 1 A 23 23 THR C C 23 175.088 175.115 -0.027 1
1 181 . 8 1 1 A 24 24 ARG N N 24 116.983 119.909 -2.926 1
1 182 . 8 1 1 A 24 24 ARG H H 24 7.249 7.640 -0.391 1
1 183 . 8 1 1 A 24 24 ARG CA C 24 53.376 54.819 -1.443 1
1 184 . 8 1 1 A 24 24 ARG HA H 24 4.789 4.768 0.021 1
1 185 . 8 1 1 A 24 24 ARG CB C 24 33.354 31.712 1.642 1
1 194 . 8 1 1 A 24 24 ARG C C 24 177.127 176.548 0.579 1
1 195 . 8 1 1 A 25 25 ILE N N 25 126.047 125.093 0.954 1
1 196 . 8 1 1 A 25 25 ILE H H 25 8.578 8.939 -0.361 1
1 197 . 8 1 1 A 25 25 ILE CA C 25 63.728 63.233 0.495 1
1 198 . 8 1 1 A 25 25 ILE HA H 25 3.203 3.504 -0.301 1
1 199 . 8 1 1 A 25 25 ILE CB C 25 37.142 37.978 -0.836 1
1 212 . 8 1 1 A 25 25 ILE C C 25 176.844 177.428 -0.584 1
1 213 . 8 1 1 A 26 26 PHE CA C 26 59.118 60.005 -0.887 1
1 214 . 8 1 1 A 26 26 PHE HA H 26 4.429 4.276 0.153 1
1 215 . 8 1 1 A 26 26 PHE CB C 26 38.494 37.839 0.655 1
1 224 . 8 1 1 A 26 26 PHE C C 26 177.609 177.202 0.407 1
1 225 . 8 1 1 A 27 27 HIS N N 27 117.282 119.739 -2.457 1
1 226 . 8 1 1 A 27 27 HIS H H 27 6.564 7.138 -0.574 1
1 227 . 8 1 1 A 27 27 HIS CA C 27 57.363 59.183 -1.820 1
1 228 . 8 1 1 A 27 27 HIS HA H 27 4.358 3.689 0.669 1
1 229 . 8 1 1 A 27 27 HIS CB C 27 31.719 28.847 2.872 1
1 234 . 8 1 1 A 27 27 HIS C C 27 178.164 176.275 1.889 1
1 235 . 8 1 1 A 28 28 LEU N N 28 122.177 120.297 1.880 1
1 236 . 8 1 1 A 28 28 LEU H H 28 7.044 7.664 -0.620 1
1 237 . 8 1 1 A 28 28 LEU CA C 28 58.040 57.543 0.497 1
1 238 . 8 1 1 A 28 28 LEU HA H 28 3.196 3.178 0.018 1
1 239 . 8 1 1 A 28 28 LEU CB C 28 40.283 41.501 -1.218 1
1 252 . 8 1 1 A 28 28 LEU C C 28 177.790 178.360 -0.570 1
1 253 . 8 1 1 A 29 29 THR N N 29 114.476 114.880 -0.404 1
1 254 . 8 1 1 A 29 29 THR H H 29 8.616 7.643 0.973 1
1 255 . 8 1 1 A 29 29 THR CA C 29 66.015 66.957 -0.942 1
1 256 . 8 1 1 A 29 29 THR HA H 29 3.943 3.815 0.128 1
1 257 . 8 1 1 A 29 29 THR CB C 29 68.316 68.393 -0.077 1
1 263 . 8 1 1 A 29 29 THR C C 29 177.269 177.162 0.107 1
1 264 . 8 1 1 A 30 30 ARG N N 30 120.519 120.053 0.466 1
1 265 . 8 1 1 A 30 30 ARG H H 30 7.354 8.410 -1.056 1
1 266 . 8 1 1 A 30 30 ARG CA C 30 59.260 57.756 1.504 1
1 267 . 8 1 1 A 30 30 ARG HA H 30 3.948 4.128 -0.180 1
1 268 . 8 1 1 A 30 30 ARG CB C 30 30.125 28.795 1.330 1
1 277 . 8 1 1 A 30 30 ARG C C 30 178.650 178.080 0.570 1
1 278 . 8 1 1 A 31 31 HIS N N 31 119.426 120.140 -0.714 1
1 279 . 8 1 1 A 31 31 HIS H H 31 7.522 7.789 -0.267 1
1 280 . 8 1 1 A 31 31 HIS CA C 31 59.079 58.776 0.303 1
1 281 . 8 1 1 A 31 31 HIS HA H 31 4.191 4.122 0.069 1
1 282 . 8 1 1 A 31 31 HIS CB C 31 28.539 30.051 -1.512 1
1 289 . 8 1 1 A 31 31 HIS C C 31 176.154 177.039 -0.885 1
1 290 . 8 1 1 A 32 32 GLN N N 32 114.933 117.536 -2.603 1
1 291 . 8 1 1 A 32 32 GLN H H 32 8.342 8.553 -0.211 1
1 292 . 8 1 1 A 32 32 GLN CA C 32 59.352 59.067 0.285 1
1 293 . 8 1 1 A 32 32 GLN HA H 32 3.629 3.794 -0.165 1
1 294 . 8 1 1 A 32 32 GLN CB C 32 28.360 28.271 0.089 1
1 303 . 8 1 1 A 32 32 GLN C C 32 177.376 178.481 -1.105 1
1 304 . 8 1 1 A 33 33 LYS N N 33 117.471 119.871 -2.400 1
1 305 . 8 1 1 A 33 33 LYS H H 33 7.047 7.997 -0.950 1
1 306 . 8 1 1 A 33 33 LYS CA C 33 58.359 59.056 -0.697 1
1 307 . 8 1 1 A 33 33 LYS HA H 33 4.059 3.965 0.094 1
1 308 . 8 1 1 A 33 33 LYS CB C 33 32.214 32.493 -0.279 1
1 320 . 8 1 1 A 33 33 LYS C C 33 178.607 179.405 -0.798 1
1 321 . 8 1 1 A 34 34 ILE N N 34 115.534 116.570 -1.036 1
1 322 . 8 1 1 A 34 34 ILE H H 34 7.799 8.080 -0.281 1
1 323 . 8 1 1 A 34 34 ILE CA C 34 62.935 63.505 -0.570 1
1 324 . 8 1 1 A 34 34 ILE HA H 34 3.978 3.779 0.199 1
1 325 . 8 1 1 A 34 34 ILE CB C 34 37.719 37.268 0.451 1
1 338 . 8 1 1 A 34 34 ILE C C 34 177.151 176.687 0.464 1
1 339 . 8 1 1 A 35 35 HIS N N 35 117.940 119.603 -1.663 1
1 340 . 8 1 1 A 35 35 HIS H H 35 7.211 7.952 -0.741 1
1 341 . 8 1 1 A 35 35 HIS CA C 35 54.796 54.522 0.274 1
1 342 . 8 1 1 A 35 35 HIS HA H 35 4.831 4.725 0.106 1
1 343 . 8 1 1 A 35 35 HIS CB C 35 28.553 27.682 0.871 1
1 350 . 8 1 1 A 35 35 HIS C C 35 175.116 174.215 0.901 1
1 351 . 8 1 1 A 36 36 THR N N 36 113.656 114.515 -0.859 1
1 352 . 8 1 1 A 36 36 THR H H 36 7.712 7.607 0.105 1
1 353 . 8 1 1 A 36 36 THR CA C 36 62.445 60.049 2.396 1
1 354 . 8 1 1 A 36 36 THR HA H 36 4.288 4.912 -0.624 1
1 355 . 8 1 1 A 36 36 THR CB C 36 69.822 71.523 -1.701 1
1 361 . 8 1 1 A 36 36 THR C C 36 174.481 173.495 0.986 1
1 362 . 8 1 1 A 37 37 ARG N N 37 123.945 126.109 -2.164 1
1 363 . 8 1 1 A 37 37 ARG H H 37 8.264 8.599 -0.335 1
1 364 . 8 1 1 A 37 37 ARG CA C 37 56.202 56.112 0.090 1
1 365 . 8 1 1 A 37 37 ARG HA H 37 4.357 4.708 -0.351 1
1 366 . 8 1 1 A 37 37 ARG CB C 37 30.808 31.005 -0.197 1
1 375 . 8 1 1 A 38 38 LYS N N 38 128.503 123.129 5.374 1
1 376 . 8 1 1 A 38 38 LYS H H 38 8.048 8.449 -0.401 1
1 377 . 8 1 1 A 38 38 LYS CA C 38 57.651 54.417 3.234 1
1 378 . 8 1 1 A 38 38 LYS HA H 38 4.147 4.707 -0.560 1
1 379 . 8 1 1 A 38 38 LYS CB C 38 33.710 34.741 -1.031 1
1 391 . 8 1 1 A 40 40 GLY CA C 40 44.605 45.223 -0.618 1
1 392 . 8 1 1 A 40 40 GLY HA2 H 40 4.130 4.196 -0.066 1
1 393 . 8 1 1 A 40 40 GLY HA3 H 40 4.130 4.196 -0.066 1
1 394 . 8 1 1 A 41 41 PRO CA C 41 63.289 65.048 -1.759 1
1 395 . 8 1 1 A 41 41 PRO HA H 41 4.468 4.355 0.113 1
1 396 . 8 1 1 A 41 41 PRO CB C 41 32.206 31.782 0.424 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.484 46.280 -0.796 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.025 4.222 -0.197 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.025 4.223 -0.198 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.529 174.809 -0.280 1
1 5 . 9 1 1 A 8 8 THR N N 8 113.203 114.254 -1.051 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.121 8.167 -0.046 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.909 64.519 -2.610 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.352 4.282 0.070 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.714 69.147 0.567 1
1 15 . 9 1 1 A 8 8 THR C C 8 174.447 174.746 -0.299 1
1 16 . 9 1 1 A 9 9 ASP N N 9 122.758 121.761 0.997 1
1 17 . 9 1 1 A 9 9 ASP H H 9 8.411 7.543 0.868 1
1 18 . 9 1 1 A 9 9 ASP CA C 9 54.415 54.857 -0.442 1
1 19 . 9 1 1 A 9 9 ASP HA H 9 4.660 4.550 0.110 1
1 20 . 9 1 1 A 9 9 ASP CB C 9 41.177 41.026 0.151 1
1 23 . 9 1 1 A 9 9 ASP C C 9 176.142 175.690 0.452 1
1 24 . 9 1 1 A 10 10 SER N N 10 116.278 114.629 1.649 1
1 25 . 9 1 1 A 10 10 SER H H 10 8.205 8.959 -0.754 1
1 26 . 9 1 1 A 10 10 SER CA C 10 58.390 57.695 0.695 1
1 27 . 9 1 1 A 10 10 SER HA H 10 4.400 4.959 -0.559 1
1 28 . 9 1 1 A 10 10 SER CB C 10 63.777 66.514 -2.737 1
1 31 . 9 1 1 A 10 10 SER C C 10 174.207 173.296 0.911 1
1 32 . 9 1 1 A 11 11 LYS N N 11 123.340 123.683 -0.343 1
1 33 . 9 1 1 A 11 11 LYS H H 11 8.288 8.431 -0.143 1
1 34 . 9 1 1 A 11 11 LYS CA C 11 55.992 56.567 -0.575 1
1 35 . 9 1 1 A 11 11 LYS HA H 11 4.254 4.083 0.171 1
1 36 . 9 1 1 A 11 11 LYS CB C 11 33.080 32.632 0.448 1
1 48 . 9 1 1 A 11 11 LYS C C 11 175.464 175.772 -0.308 1
1 49 . 9 1 1 A 12 12 SER N N 12 115.376 116.841 -1.465 1
1 50 . 9 1 1 A 12 12 SER H H 12 7.783 8.511 -0.728 1
1 51 . 9 1 1 A 12 12 SER CA C 12 57.470 57.312 0.158 1
1 52 . 9 1 1 A 12 12 SER HA H 12 4.484 4.829 -0.345 1
1 53 . 9 1 1 A 12 12 SER CB C 12 64.666 65.076 -0.410 1
1 56 . 9 1 1 A 12 12 SER C C 12 172.585 171.664 0.921 1
1 57 . 9 1 1 A 13 13 TYR N N 13 122.308 121.364 0.944 1
1 58 . 9 1 1 A 13 13 TYR H H 13 8.678 8.476 0.202 1
1 59 . 9 1 1 A 13 13 TYR CA C 13 57.124 56.479 0.645 1
1 60 . 9 1 1 A 13 13 TYR HA H 13 4.644 5.360 -0.716 1
1 61 . 9 1 1 A 13 13 TYR CB C 13 39.856 42.922 -3.066 1
1 72 . 9 1 1 A 13 13 TYR C C 13 174.849 174.762 0.087 1
1 73 . 9 1 1 A 14 14 ASN N N 14 121.239 116.487 4.752 1
1 74 . 9 1 1 A 14 14 ASN H H 14 8.692 9.203 -0.511 1
1 75 . 9 1 1 A 14 14 ASN CA C 14 52.525 51.731 0.794 1
1 76 . 9 1 1 A 14 14 ASN HA H 14 5.463 5.643 -0.180 1
1 77 . 9 1 1 A 14 14 ASN CB C 14 40.600 42.988 -2.388 1
1 83 . 9 1 1 A 14 14 ASN C C 14 174.400 173.468 0.932 1
1 84 . 9 1 1 A 15 15 CYS N N 15 124.052 121.146 2.906 1
1 85 . 9 1 1 A 15 15 CYS H H 15 9.215 8.813 0.402 1
1 86 . 9 1 1 A 15 15 CYS CA C 15 59.463 58.252 1.211 1
1 87 . 9 1 1 A 15 15 CYS HA H 15 4.541 4.731 -0.190 1
1 88 . 9 1 1 A 15 15 CYS CB C 15 29.688 28.580 1.108 1
1 91 . 9 1 1 A 15 15 CYS C C 15 177.069 175.595 1.474 1
1 92 . 9 1 1 A 16 16 ASN N N 16 130.116 126.374 3.742 1
1 93 . 9 1 1 A 16 16 ASN H H 16 9.386 9.079 0.307 1
1 94 . 9 1 1 A 16 16 ASN CA C 16 55.613 52.214 3.399 1
1 95 . 9 1 1 A 16 16 ASN HA H 16 4.515 4.925 -0.410 1
1 96 . 9 1 1 A 16 16 ASN CB C 16 38.236 37.750 0.486 1
1 102 . 9 1 1 A 16 16 ASN C C 16 175.385 176.172 -0.787 1
1 103 . 9 1 1 A 17 17 GLU N N 17 120.832 120.538 0.294 1
1 104 . 9 1 1 A 17 17 GLU H H 17 8.687 7.872 0.815 1
1 105 . 9 1 1 A 17 17 GLU CA C 17 58.362 56.994 1.368 1
1 106 . 9 1 1 A 17 17 GLU HA H 17 4.224 4.538 -0.314 1
1 107 . 9 1 1 A 17 17 GLU CB C 17 29.626 32.177 -2.551 1
1 113 . 9 1 1 A 17 17 GLU C C 17 177.037 177.746 -0.709 1
1 114 . 9 1 1 A 18 18 CYS N N 18 114.739 115.622 -0.883 1
1 115 . 9 1 1 A 18 18 CYS H H 18 7.888 8.063 -0.175 1
1 116 . 9 1 1 A 18 18 CYS CA C 18 58.338 59.528 -1.190 1
1 117 . 9 1 1 A 18 18 CYS HA H 18 5.145 4.805 0.340 1
1 118 . 9 1 1 A 18 18 CYS CB C 18 32.372 29.994 2.378 1
1 121 . 9 1 1 A 18 18 CYS C C 18 176.190 175.568 0.622 1
1 122 . 9 1 1 A 19 19 GLY N N 19 113.385 109.706 3.679 1
1 123 . 9 1 1 A 19 19 GLY H H 19 8.188 8.403 -0.215 1
1 124 . 9 1 1 A 19 19 GLY CA C 19 46.207 46.100 0.107 1
1 125 . 9 1 1 A 19 19 GLY HA2 H 19 3.890 4.039 -0.149 1
1 126 . 9 1 1 A 19 19 GLY HA3 H 19 4.212 4.042 0.170 1
1 127 . 9 1 1 A 19 19 GLY C C 19 174.091 174.104 -0.013 1
1 128 . 9 1 1 A 20 20 LYS N N 20 123.027 119.434 3.593 1
1 129 . 9 1 1 A 20 20 LYS H H 20 7.879 7.787 0.092 1
1 130 . 9 1 1 A 20 20 LYS CA C 20 58.200 54.813 3.387 1
1 131 . 9 1 1 A 20 20 LYS HA H 20 3.916 4.514 -0.598 1
1 132 . 9 1 1 A 20 20 LYS CB C 20 33.874 35.319 -1.445 1
1 144 . 9 1 1 A 20 20 LYS C C 20 173.619 174.972 -1.353 1
1 145 . 9 1 1 A 21 21 ALA N N 21 124.096 128.450 -4.354 1
1 146 . 9 1 1 A 21 21 ALA H H 21 7.788 8.740 -0.952 1
1 147 . 9 1 1 A 21 21 ALA CA C 21 50.996 50.682 0.314 1
1 148 . 9 1 1 A 21 21 ALA HA H 21 4.931 5.274 -0.343 1
1 149 . 9 1 1 A 21 21 ALA CB C 21 21.943 20.567 1.376 1
1 153 . 9 1 1 A 21 21 ALA C C 21 176.797 176.425 0.372 1
1 154 . 9 1 1 A 22 22 PHE N N 22 117.342 120.013 -2.671 1
1 155 . 9 1 1 A 22 22 PHE H H 22 8.610 9.578 -0.968 1
1 156 . 9 1 1 A 22 22 PHE CA C 22 57.093 56.173 0.920 1
1 157 . 9 1 1 A 22 22 PHE HA H 22 4.858 5.044 -0.186 1
1 158 . 9 1 1 A 22 22 PHE CB C 22 43.718 41.930 1.788 1
1 171 . 9 1 1 A 22 22 PHE C C 22 175.933 176.247 -0.314 1
1 172 . 9 1 1 A 23 23 THR CA C 23 62.823 66.090 -3.267 1
1 173 . 9 1 1 A 23 23 THR HA H 23 4.685 4.259 0.426 1
1 174 . 9 1 1 A 23 23 THR CB C 23 69.904 68.832 1.072 1
1 180 . 9 1 1 A 23 23 THR C C 23 175.088 175.139 -0.051 1
1 181 . 9 1 1 A 24 24 ARG N N 24 116.983 118.841 -1.858 1
1 182 . 9 1 1 A 24 24 ARG H H 24 7.249 7.676 -0.427 1
1 183 . 9 1 1 A 24 24 ARG CA C 24 53.376 54.505 -1.129 1
1 184 . 9 1 1 A 24 24 ARG HA H 24 4.789 4.471 0.318 1
1 185 . 9 1 1 A 24 24 ARG CB C 24 33.354 30.833 2.521 1
1 194 . 9 1 1 A 24 24 ARG C C 24 177.127 176.420 0.707 1
1 195 . 9 1 1 A 25 25 ILE N N 25 126.047 124.063 1.984 1
1 196 . 9 1 1 A 25 25 ILE H H 25 8.578 8.350 0.228 1
1 197 . 9 1 1 A 25 25 ILE CA C 25 63.728 62.533 1.195 1
1 198 . 9 1 1 A 25 25 ILE HA H 25 3.203 3.223 -0.020 1
1 199 . 9 1 1 A 25 25 ILE CB C 25 37.142 38.545 -1.403 1
1 212 . 9 1 1 A 25 25 ILE C C 25 176.844 177.247 -0.403 1
1 213 . 9 1 1 A 26 26 PHE CA C 26 59.118 59.885 -0.767 1
1 214 . 9 1 1 A 26 26 PHE HA H 26 4.429 4.261 0.168 1
1 215 . 9 1 1 A 26 26 PHE CB C 26 38.494 37.916 0.578 1
1 224 . 9 1 1 A 26 26 PHE C C 26 177.609 177.176 0.433 1
1 225 . 9 1 1 A 27 27 HIS N N 27 117.282 120.308 -3.026 1
1 226 . 9 1 1 A 27 27 HIS H H 27 6.564 7.155 -0.591 1
1 227 . 9 1 1 A 27 27 HIS CA C 27 57.363 59.646 -2.283 1
1 228 . 9 1 1 A 27 27 HIS HA H 27 4.358 4.224 0.134 1
1 229 . 9 1 1 A 27 27 HIS CB C 27 31.719 29.125 2.594 1
1 234 . 9 1 1 A 27 27 HIS C C 27 178.164 176.118 2.046 1
1 235 . 9 1 1 A 28 28 LEU N N 28 122.177 120.107 2.070 1
1 236 . 9 1 1 A 28 28 LEU H H 28 7.044 7.731 -0.687 1
1 237 . 9 1 1 A 28 28 LEU CA C 28 58.040 57.656 0.384 1
1 238 . 9 1 1 A 28 28 LEU HA H 28 3.196 2.889 0.307 1
1 239 . 9 1 1 A 28 28 LEU CB C 28 40.283 41.236 -0.953 1
1 252 . 9 1 1 A 28 28 LEU C C 28 177.790 178.468 -0.678 1
1 253 . 9 1 1 A 29 29 THR N N 29 114.476 114.259 0.217 1
1 254 . 9 1 1 A 29 29 THR H H 29 8.616 7.463 1.153 1
1 255 . 9 1 1 A 29 29 THR CA C 29 66.015 66.771 -0.756 1
1 256 . 9 1 1 A 29 29 THR HA H 29 3.943 3.729 0.214 1
1 257 . 9 1 1 A 29 29 THR CB C 29 68.316 68.615 -0.299 1
1 263 . 9 1 1 A 29 29 THR C C 29 177.269 176.190 1.079 1
1 264 . 9 1 1 A 30 30 ARG N N 30 120.519 120.252 0.267 1
1 265 . 9 1 1 A 30 30 ARG H H 30 7.354 7.916 -0.562 1
1 266 . 9 1 1 A 30 30 ARG CA C 30 59.260 59.759 -0.499 1
1 267 . 9 1 1 A 30 30 ARG HA H 30 3.948 3.927 0.021 1
1 268 . 9 1 1 A 30 30 ARG CB C 30 30.125 29.709 0.416 1
1 277 . 9 1 1 A 30 30 ARG C C 30 178.650 178.684 -0.034 1
1 278 . 9 1 1 A 31 31 HIS N N 31 119.426 120.053 -0.627 1
1 279 . 9 1 1 A 31 31 HIS H H 31 7.522 7.786 -0.264 1
1 280 . 9 1 1 A 31 31 HIS CA C 31 59.079 59.551 -0.472 1
1 281 . 9 1 1 A 31 31 HIS HA H 31 4.191 4.193 -0.002 1
1 282 . 9 1 1 A 31 31 HIS CB C 31 28.539 29.691 -1.152 1
1 289 . 9 1 1 A 31 31 HIS C C 31 176.154 176.950 -0.796 1
1 290 . 9 1 1 A 32 32 GLN N N 32 114.933 117.356 -2.423 1
1 291 . 9 1 1 A 32 32 GLN H H 32 8.342 8.248 0.094 1
1 292 . 9 1 1 A 32 32 GLN CA C 32 59.352 59.033 0.319 1
1 293 . 9 1 1 A 32 32 GLN HA H 32 3.629 3.670 -0.041 1
1 294 . 9 1 1 A 32 32 GLN CB C 32 28.360 28.186 0.174 1
1 303 . 9 1 1 A 32 32 GLN C C 32 177.376 178.493 -1.117 1
1 304 . 9 1 1 A 33 33 LYS N N 33 117.471 119.874 -2.403 1
1 305 . 9 1 1 A 33 33 LYS H H 33 7.047 7.519 -0.472 1
1 306 . 9 1 1 A 33 33 LYS CA C 33 58.359 59.022 -0.663 1
1 307 . 9 1 1 A 33 33 LYS HA H 33 4.059 3.981 0.078 1
1 308 . 9 1 1 A 33 33 LYS CB C 33 32.214 32.488 -0.274 1
1 320 . 9 1 1 A 33 33 LYS C C 33 178.607 179.324 -0.717 1
1 321 . 9 1 1 A 34 34 ILE N N 34 115.534 117.320 -1.786 1
1 322 . 9 1 1 A 34 34 ILE H H 34 7.799 8.105 -0.306 1
1 323 . 9 1 1 A 34 34 ILE CA C 34 62.935 64.231 -1.296 1
1 324 . 9 1 1 A 34 34 ILE HA H 34 3.978 3.761 0.217 1
1 325 . 9 1 1 A 34 34 ILE CB C 34 37.719 37.230 0.489 1
1 338 . 9 1 1 A 34 34 ILE C C 34 177.151 177.701 -0.550 1
1 339 . 9 1 1 A 35 35 HIS N N 35 117.940 120.758 -2.818 1
1 340 . 9 1 1 A 35 35 HIS H H 35 7.211 7.933 -0.722 1
1 341 . 9 1 1 A 35 35 HIS CA C 35 54.796 59.867 -5.071 1
1 342 . 9 1 1 A 35 35 HIS HA H 35 4.831 4.147 0.684 1
1 343 . 9 1 1 A 35 35 HIS CB C 35 28.553 29.781 -1.228 1
1 350 . 9 1 1 A 35 35 HIS C C 35 175.116 177.473 -2.357 1
1 351 . 9 1 1 A 36 36 THR N N 36 113.656 114.667 -1.011 1
1 352 . 9 1 1 A 36 36 THR H H 36 7.712 8.142 -0.430 1
1 353 . 9 1 1 A 36 36 THR CA C 36 62.445 65.183 -2.738 1
1 354 . 9 1 1 A 36 36 THR HA H 36 4.288 3.852 0.436 1
1 355 . 9 1 1 A 36 36 THR CB C 36 69.822 68.827 0.995 1
1 361 . 9 1 1 A 36 36 THR C C 36 174.481 175.363 -0.882 1
1 362 . 9 1 1 A 37 37 ARG N N 37 123.945 118.272 5.673 1
1 363 . 9 1 1 A 37 37 ARG H H 37 8.264 7.719 0.545 1
1 364 . 9 1 1 A 37 37 ARG CA C 37 56.202 55.303 0.899 1
1 365 . 9 1 1 A 37 37 ARG HA H 37 4.357 4.489 -0.132 1
1 366 . 9 1 1 A 37 37 ARG CB C 37 30.808 29.613 1.195 1
1 375 . 9 1 1 A 38 38 LYS N N 38 128.503 120.996 7.507 1
1 376 . 9 1 1 A 38 38 LYS H H 38 8.048 7.798 0.250 1
1 377 . 9 1 1 A 38 38 LYS CA C 38 57.651 58.920 -1.269 1
1 378 . 9 1 1 A 38 38 LYS HA H 38 4.147 4.045 0.102 1
1 379 . 9 1 1 A 38 38 LYS CB C 38 33.710 31.722 1.988 1
1 391 . 9 1 1 A 40 40 GLY CA C 40 44.605 44.114 0.491 1
1 392 . 9 1 1 A 40 40 GLY HA2 H 40 4.130 4.037 0.093 1
1 393 . 9 1 1 A 40 40 GLY HA3 H 40 4.130 4.050 0.080 1
1 394 . 9 1 1 A 41 41 PRO CA C 41 63.289 64.563 -1.274 1
1 395 . 9 1 1 A 41 41 PRO HA H 41 4.468 4.434 0.034 1
1 396 . 9 1 1 A 41 41 PRO CB C 41 32.206 32.038 0.168 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.484 45.769 -0.285 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.025 3.983 0.042 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.025 3.983 0.042 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.529 173.560 0.969 1
1 5 . 10 1 1 A 8 8 THR N N 8 113.203 120.527 -7.324 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.121 8.756 -0.635 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.909 63.835 -1.926 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.352 4.278 0.074 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.714 68.091 1.623 1
1 15 . 10 1 1 A 8 8 THR C C 8 174.447 173.834 0.613 1
1 16 . 10 1 1 A 9 9 ASP N N 9 122.758 128.825 -6.067 1
1 17 . 10 1 1 A 9 9 ASP H H 9 8.411 8.939 -0.528 1
1 18 . 10 1 1 A 9 9 ASP CA C 9 54.415 55.851 -1.436 1
1 19 . 10 1 1 A 9 9 ASP HA H 9 4.660 4.754 -0.094 1
1 20 . 10 1 1 A 9 9 ASP CB C 9 41.177 42.090 -0.913 1
1 23 . 10 1 1 A 9 9 ASP C C 9 176.142 175.869 0.273 1
1 24 . 10 1 1 A 10 10 SER N N 10 116.278 111.905 4.373 1
1 25 . 10 1 1 A 10 10 SER H H 10 8.205 8.072 0.133 1
1 26 . 10 1 1 A 10 10 SER CA C 10 58.390 55.945 2.445 1
1 27 . 10 1 1 A 10 10 SER HA H 10 4.400 4.769 -0.369 1
1 28 . 10 1 1 A 10 10 SER CB C 10 63.777 65.541 -1.764 1
1 31 . 10 1 1 A 10 10 SER C C 10 174.207 173.164 1.043 1
1 32 . 10 1 1 A 11 11 LYS N N 11 123.340 119.335 4.005 1
1 33 . 10 1 1 A 11 11 LYS H H 11 8.288 8.808 -0.520 1
1 34 . 10 1 1 A 11 11 LYS CA C 11 55.992 53.928 2.064 1
1 35 . 10 1 1 A 11 11 LYS HA H 11 4.254 5.248 -0.994 1
1 36 . 10 1 1 A 11 11 LYS CB C 11 33.080 36.939 -3.859 1
1 48 . 10 1 1 A 11 11 LYS C C 11 175.464 174.488 0.976 1
1 49 . 10 1 1 A 12 12 SER N N 12 115.376 114.385 0.991 1
1 50 . 10 1 1 A 12 12 SER H H 12 7.783 8.563 -0.780 1
1 51 . 10 1 1 A 12 12 SER CA C 12 57.470 56.460 1.010 1
1 52 . 10 1 1 A 12 12 SER HA H 12 4.484 4.917 -0.433 1
1 53 . 10 1 1 A 12 12 SER CB C 12 64.666 65.709 -1.043 1
1 56 . 10 1 1 A 12 12 SER C C 12 172.585 172.703 -0.118 1
1 57 . 10 1 1 A 13 13 TYR N N 13 122.308 123.062 -0.754 1
1 58 . 10 1 1 A 13 13 TYR H H 13 8.678 8.432 0.246 1
1 59 . 10 1 1 A 13 13 TYR CA C 13 57.124 56.545 0.579 1
1 60 . 10 1 1 A 13 13 TYR HA H 13 4.644 5.333 -0.689 1
1 61 . 10 1 1 A 13 13 TYR CB C 13 39.856 40.732 -0.876 1
1 72 . 10 1 1 A 13 13 TYR C C 13 174.849 174.247 0.602 1
1 73 . 10 1 1 A 14 14 ASN N N 14 121.239 122.117 -0.878 1
1 74 . 10 1 1 A 14 14 ASN H H 14 8.692 9.050 -0.358 1
1 75 . 10 1 1 A 14 14 ASN CA C 14 52.525 51.957 0.568 1
1 76 . 10 1 1 A 14 14 ASN HA H 14 5.463 5.830 -0.367 1
1 77 . 10 1 1 A 14 14 ASN CB C 14 40.600 42.178 -1.578 1
1 83 . 10 1 1 A 14 14 ASN C C 14 174.400 173.655 0.745 1
1 84 . 10 1 1 A 15 15 CYS N N 15 124.052 123.562 0.490 1
1 85 . 10 1 1 A 15 15 CYS H H 15 9.215 9.014 0.201 1
1 86 . 10 1 1 A 15 15 CYS CA C 15 59.463 58.131 1.332 1
1 87 . 10 1 1 A 15 15 CYS HA H 15 4.541 4.661 -0.120 1
1 88 . 10 1 1 A 15 15 CYS CB C 15 29.688 26.900 2.788 1
1 91 . 10 1 1 A 15 15 CYS C C 15 177.069 174.865 2.204 1
1 92 . 10 1 1 A 16 16 ASN N N 16 130.116 125.921 4.195 1
1 93 . 10 1 1 A 16 16 ASN H H 16 9.386 7.985 1.401 1
1 94 . 10 1 1 A 16 16 ASN CA C 16 55.613 56.955 -1.342 1
1 95 . 10 1 1 A 16 16 ASN HA H 16 4.515 4.406 0.109 1
1 96 . 10 1 1 A 16 16 ASN CB C 16 38.236 38.427 -0.191 1
1 102 . 10 1 1 A 16 16 ASN C C 16 175.385 176.888 -1.503 1
1 103 . 10 1 1 A 17 17 GLU N N 17 120.832 118.284 2.548 1
1 104 . 10 1 1 A 17 17 GLU H H 17 8.687 8.569 0.118 1
1 105 . 10 1 1 A 17 17 GLU CA C 17 58.362 59.173 -0.811 1
1 106 . 10 1 1 A 17 17 GLU HA H 17 4.224 3.991 0.233 1
1 107 . 10 1 1 A 17 17 GLU CB C 17 29.626 29.179 0.447 1
1 113 . 10 1 1 A 17 17 GLU C C 17 177.037 177.950 -0.913 1
1 114 . 10 1 1 A 18 18 CYS N N 18 114.739 114.732 0.007 1
1 115 . 10 1 1 A 18 18 CYS H H 18 7.888 7.800 0.088 1
1 116 . 10 1 1 A 18 18 CYS CA C 18 58.338 59.537 -1.199 1
1 117 . 10 1 1 A 18 18 CYS HA H 18 5.145 4.563 0.582 1
1 118 . 10 1 1 A 18 18 CYS CB C 18 32.372 29.713 2.659 1
1 121 . 10 1 1 A 18 18 CYS C C 18 176.190 175.287 0.903 1
1 122 . 10 1 1 A 19 19 GLY N N 19 113.385 110.074 3.311 1
1 123 . 10 1 1 A 19 19 GLY H H 19 8.188 8.699 -0.511 1
1 124 . 10 1 1 A 19 19 GLY CA C 19 46.207 46.086 0.121 1
1 125 . 10 1 1 A 19 19 GLY HA2 H 19 3.890 4.009 -0.119 1
1 126 . 10 1 1 A 19 19 GLY HA3 H 19 4.212 4.023 0.189 1
1 127 . 10 1 1 A 19 19 GLY C C 19 174.091 173.870 0.221 1
1 128 . 10 1 1 A 20 20 LYS N N 20 123.027 119.771 3.256 1
1 129 . 10 1 1 A 20 20 LYS H H 20 7.879 7.628 0.251 1
1 130 . 10 1 1 A 20 20 LYS CA C 20 58.200 54.759 3.441 1
1 131 . 10 1 1 A 20 20 LYS HA H 20 3.916 4.785 -0.869 1
1 132 . 10 1 1 A 20 20 LYS CB C 20 33.874 35.377 -1.503 1
1 144 . 10 1 1 A 20 20 LYS C C 20 173.619 174.915 -1.296 1
1 145 . 10 1 1 A 21 21 ALA N N 21 124.096 128.241 -4.145 1
1 146 . 10 1 1 A 21 21 ALA H H 21 7.788 8.768 -0.980 1
1 147 . 10 1 1 A 21 21 ALA CA C 21 50.996 51.164 -0.168 1
1 148 . 10 1 1 A 21 21 ALA HA H 21 4.931 5.303 -0.372 1
1 149 . 10 1 1 A 21 21 ALA CB C 21 21.943 20.209 1.734 1
1 153 . 10 1 1 A 21 21 ALA C C 21 176.797 176.052 0.745 1
1 154 . 10 1 1 A 22 22 PHE N N 22 117.342 120.207 -2.865 1
1 155 . 10 1 1 A 22 22 PHE H H 22 8.610 9.431 -0.821 1
1 156 . 10 1 1 A 22 22 PHE CA C 22 57.093 56.297 0.796 1
1 157 . 10 1 1 A 22 22 PHE HA H 22 4.858 4.959 -0.101 1
1 158 . 10 1 1 A 22 22 PHE CB C 22 43.718 40.169 3.549 1
1 171 . 10 1 1 A 22 22 PHE C C 22 175.933 176.028 -0.095 1
1 172 . 10 1 1 A 23 23 THR CA C 23 62.823 65.410 -2.587 1
1 173 . 10 1 1 A 23 23 THR HA H 23 4.685 4.055 0.630 1
1 174 . 10 1 1 A 23 23 THR CB C 23 69.904 68.824 1.080 1
1 180 . 10 1 1 A 23 23 THR C C 23 175.088 174.343 0.745 1
1 181 . 10 1 1 A 24 24 ARG N N 24 116.983 119.374 -2.391 1
1 182 . 10 1 1 A 24 24 ARG H H 24 7.249 8.049 -0.800 1
1 183 . 10 1 1 A 24 24 ARG CA C 24 53.376 54.625 -1.249 1
1 184 . 10 1 1 A 24 24 ARG HA H 24 4.789 4.857 -0.068 1
1 185 . 10 1 1 A 24 24 ARG CB C 24 33.354 31.480 1.874 1
1 194 . 10 1 1 A 24 24 ARG C C 24 177.127 176.760 0.367 1
1 195 . 10 1 1 A 25 25 ILE N N 25 126.047 124.481 1.566 1
1 196 . 10 1 1 A 25 25 ILE H H 25 8.578 8.969 -0.391 1
1 197 . 10 1 1 A 25 25 ILE CA C 25 63.728 63.655 0.073 1
1 198 . 10 1 1 A 25 25 ILE HA H 25 3.203 3.862 -0.659 1
1 199 . 10 1 1 A 25 25 ILE CB C 25 37.142 38.597 -1.455 1
1 212 . 10 1 1 A 25 25 ILE C C 25 176.844 177.708 -0.864 1
1 213 . 10 1 1 A 26 26 PHE CA C 26 59.118 59.981 -0.863 1
1 214 . 10 1 1 A 26 26 PHE HA H 26 4.429 4.303 0.126 1
1 215 . 10 1 1 A 26 26 PHE CB C 26 38.494 37.895 0.599 1
1 224 . 10 1 1 A 26 26 PHE C C 26 177.609 177.351 0.258 1
1 225 . 10 1 1 A 27 27 HIS N N 27 117.282 119.703 -2.421 1
1 226 . 10 1 1 A 27 27 HIS H H 27 6.564 6.991 -0.427 1
1 227 . 10 1 1 A 27 27 HIS CA C 27 57.363 59.109 -1.746 1
1 228 . 10 1 1 A 27 27 HIS HA H 27 4.358 3.728 0.630 1
1 229 . 10 1 1 A 27 27 HIS CB C 27 31.719 29.652 2.067 1
1 234 . 10 1 1 A 27 27 HIS C C 27 178.164 176.768 1.396 1
1 235 . 10 1 1 A 28 28 LEU N N 28 122.177 120.086 2.091 1
1 236 . 10 1 1 A 28 28 LEU H H 28 7.044 7.776 -0.732 1
1 237 . 10 1 1 A 28 28 LEU CA C 28 58.040 57.373 0.667 1
1 238 . 10 1 1 A 28 28 LEU HA H 28 3.196 2.955 0.241 1
1 239 . 10 1 1 A 28 28 LEU CB C 28 40.283 41.640 -1.357 1
1 252 . 10 1 1 A 28 28 LEU C C 28 177.790 177.921 -0.131 1
1 253 . 10 1 1 A 29 29 THR N N 29 114.476 114.045 0.431 1
1 254 . 10 1 1 A 29 29 THR H H 29 8.616 7.698 0.918 1
1 255 . 10 1 1 A 29 29 THR CA C 29 66.015 65.780 0.235 1
1 256 . 10 1 1 A 29 29 THR HA H 29 3.943 3.793 0.150 1
1 257 . 10 1 1 A 29 29 THR CB C 29 68.316 68.931 -0.615 1
1 263 . 10 1 1 A 29 29 THR C C 29 177.269 176.647 0.622 1
1 264 . 10 1 1 A 30 30 ARG N N 30 120.519 120.365 0.154 1
1 265 . 10 1 1 A 30 30 ARG H H 30 7.354 8.189 -0.835 1
1 266 . 10 1 1 A 30 30 ARG CA C 30 59.260 58.701 0.559 1
1 267 . 10 1 1 A 30 30 ARG HA H 30 3.948 4.078 -0.130 1
1 268 . 10 1 1 A 30 30 ARG CB C 30 30.125 29.916 0.209 1
1 277 . 10 1 1 A 30 30 ARG C C 30 178.650 178.270 0.380 1
1 278 . 10 1 1 A 31 31 HIS N N 31 119.426 120.037 -0.611 1
1 279 . 10 1 1 A 31 31 HIS H H 31 7.522 7.992 -0.470 1
1 280 . 10 1 1 A 31 31 HIS CA C 31 59.079 59.327 -0.248 1
1 281 . 10 1 1 A 31 31 HIS HA H 31 4.191 4.159 0.032 1
1 282 . 10 1 1 A 31 31 HIS CB C 31 28.539 29.602 -1.063 1
1 289 . 10 1 1 A 31 31 HIS C C 31 176.154 176.941 -0.787 1
1 290 . 10 1 1 A 32 32 GLN N N 32 114.933 117.311 -2.378 1
1 291 . 10 1 1 A 32 32 GLN H H 32 8.342 8.267 0.075 1
1 292 . 10 1 1 A 32 32 GLN CA C 32 59.352 59.080 0.272 1
1 293 . 10 1 1 A 32 32 GLN HA H 32 3.629 3.805 -0.176 1
1 294 . 10 1 1 A 32 32 GLN CB C 32 28.360 28.305 0.055 1
1 303 . 10 1 1 A 32 32 GLN C C 32 177.376 178.399 -1.023 1
1 304 . 10 1 1 A 33 33 LYS N N 33 117.471 119.848 -2.377 1
1 305 . 10 1 1 A 33 33 LYS H H 33 7.047 8.023 -0.976 1
1 306 . 10 1 1 A 33 33 LYS CA C 33 58.359 59.034 -0.675 1
1 307 . 10 1 1 A 33 33 LYS HA H 33 4.059 3.931 0.128 1
1 308 . 10 1 1 A 33 33 LYS CB C 33 32.214 32.357 -0.143 1
1 320 . 10 1 1 A 33 33 LYS C C 33 178.607 179.182 -0.575 1
1 321 . 10 1 1 A 34 34 ILE N N 34 115.534 117.187 -1.653 1
1 322 . 10 1 1 A 34 34 ILE H H 34 7.799 7.930 -0.131 1
1 323 . 10 1 1 A 34 34 ILE CA C 34 62.935 63.610 -0.675 1
1 324 . 10 1 1 A 34 34 ILE HA H 34 3.978 3.807 0.171 1
1 325 . 10 1 1 A 34 34 ILE CB C 34 37.719 37.269 0.450 1
1 338 . 10 1 1 A 34 34 ILE C C 34 177.151 176.805 0.346 1
1 339 . 10 1 1 A 35 35 HIS N N 35 117.940 119.401 -1.461 1
1 340 . 10 1 1 A 35 35 HIS H H 35 7.211 7.753 -0.542 1
1 341 . 10 1 1 A 35 35 HIS CA C 35 54.796 55.196 -0.400 1
1 342 . 10 1 1 A 35 35 HIS HA H 35 4.831 4.618 0.213 1
1 343 . 10 1 1 A 35 35 HIS CB C 35 28.553 28.647 -0.094 1
1 350 . 10 1 1 A 35 35 HIS C C 35 175.116 175.374 -0.258 1
1 351 . 10 1 1 A 36 36 THR N N 36 113.656 114.673 -1.017 1
1 352 . 10 1 1 A 36 36 THR H H 36 7.712 7.336 0.376 1
1 353 . 10 1 1 A 36 36 THR CA C 36 62.445 60.640 1.805 1
1 354 . 10 1 1 A 36 36 THR HA H 36 4.288 4.567 -0.279 1
1 355 . 10 1 1 A 36 36 THR CB C 36 69.822 69.529 0.293 1
1 361 . 10 1 1 A 36 36 THR C C 36 174.481 174.990 -0.509 1
1 362 . 10 1 1 A 37 37 ARG N N 37 123.945 123.492 0.453 1
1 363 . 10 1 1 A 37 37 ARG H H 37 8.264 7.723 0.541 1
1 364 . 10 1 1 A 37 37 ARG CA C 37 56.202 55.951 0.251 1
1 365 . 10 1 1 A 37 37 ARG HA H 37 4.357 4.445 -0.088 1
1 366 . 10 1 1 A 37 37 ARG CB C 37 30.808 32.369 -1.561 1
1 375 . 10 1 1 A 38 38 LYS N N 38 128.503 119.964 8.539 1
1 376 . 10 1 1 A 38 38 LYS H H 38 8.048 7.530 0.518 1
1 377 . 10 1 1 A 38 38 LYS CA C 38 57.651 55.280 2.371 1
1 378 . 10 1 1 A 38 38 LYS HA H 38 4.147 4.424 -0.277 1
1 379 . 10 1 1 A 38 38 LYS CB C 38 33.710 33.765 -0.055 1
1 391 . 10 1 1 A 40 40 GLY CA C 40 44.605 45.578 -0.973 1
1 392 . 10 1 1 A 40 40 GLY HA2 H 40 4.130 4.066 0.064 1
1 393 . 10 1 1 A 40 40 GLY HA3 H 40 4.130 4.067 0.063 1
1 394 . 10 1 1 A 41 41 PRO CA C 41 63.289 62.569 0.720 1
1 395 . 10 1 1 A 41 41 PRO HA H 41 4.468 4.606 -0.138 1
1 396 . 10 1 1 A 41 41 PRO CB C 41 32.206 32.569 -0.363 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.484 47.468 -1.984 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.025 3.853 0.172 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.025 3.855 0.170 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.529 173.607 0.922 1
1 5 . 11 1 1 A 8 8 THR N N 8 113.203 115.128 -1.925 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.121 8.218 -0.097 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.909 59.626 2.283 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.352 5.033 -0.681 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.714 71.911 -2.197 1
1 15 . 11 1 1 A 8 8 THR C C 8 174.447 174.404 0.043 1
1 16 . 11 1 1 A 9 9 ASP N N 9 122.758 123.491 -0.733 1
1 17 . 11 1 1 A 9 9 ASP H H 9 8.411 9.033 -0.622 1
1 18 . 11 1 1 A 9 9 ASP CA C 9 54.415 56.863 -2.448 1
1 19 . 11 1 1 A 9 9 ASP HA H 9 4.660 4.517 0.143 1
1 20 . 11 1 1 A 9 9 ASP CB C 9 41.177 40.188 0.989 1
1 23 . 11 1 1 A 9 9 ASP C C 9 176.142 175.917 0.225 1
1 24 . 11 1 1 A 10 10 SER N N 10 116.278 112.863 3.415 1
1 25 . 11 1 1 A 10 10 SER H H 10 8.205 7.897 0.308 1
1 26 . 11 1 1 A 10 10 SER CA C 10 58.390 57.713 0.677 1
1 27 . 11 1 1 A 10 10 SER HA H 10 4.400 5.078 -0.678 1
1 28 . 11 1 1 A 10 10 SER CB C 10 63.777 64.633 -0.856 1
1 31 . 11 1 1 A 10 10 SER C C 10 174.207 173.593 0.614 1
1 32 . 11 1 1 A 11 11 LYS N N 11 123.340 123.386 -0.046 1
1 33 . 11 1 1 A 11 11 LYS H H 11 8.288 8.891 -0.603 1
1 34 . 11 1 1 A 11 11 LYS CA C 11 55.992 53.924 2.068 1
1 35 . 11 1 1 A 11 11 LYS HA H 11 4.254 5.265 -1.011 1
1 36 . 11 1 1 A 11 11 LYS CB C 11 33.080 36.968 -3.888 1
1 48 . 11 1 1 A 11 11 LYS C C 11 175.464 174.521 0.943 1
1 49 . 11 1 1 A 12 12 SER N N 12 115.376 113.870 1.506 1
1 50 . 11 1 1 A 12 12 SER H H 12 7.783 8.559 -0.776 1
1 51 . 11 1 1 A 12 12 SER CA C 12 57.470 56.859 0.611 1
1 52 . 11 1 1 A 12 12 SER HA H 12 4.484 4.799 -0.315 1
1 53 . 11 1 1 A 12 12 SER CB C 12 64.666 66.251 -1.585 1
1 56 . 11 1 1 A 12 12 SER C C 12 172.585 171.959 0.626 1
1 57 . 11 1 1 A 13 13 TYR N N 13 122.308 121.433 0.875 1
1 58 . 11 1 1 A 13 13 TYR H H 13 8.678 8.708 -0.030 1
1 59 . 11 1 1 A 13 13 TYR CA C 13 57.124 56.460 0.664 1
1 60 . 11 1 1 A 13 13 TYR HA H 13 4.644 5.156 -0.512 1
1 61 . 11 1 1 A 13 13 TYR CB C 13 39.856 39.617 0.239 1
1 72 . 11 1 1 A 13 13 TYR C C 13 174.849 174.680 0.169 1
1 73 . 11 1 1 A 14 14 ASN N N 14 121.239 123.464 -2.225 1
1 74 . 11 1 1 A 14 14 ASN H H 14 8.692 9.051 -0.359 1
1 75 . 11 1 1 A 14 14 ASN CA C 14 52.525 52.145 0.380 1
1 76 . 11 1 1 A 14 14 ASN HA H 14 5.463 5.542 -0.079 1
1 77 . 11 1 1 A 14 14 ASN CB C 14 40.600 41.201 -0.601 1
1 83 . 11 1 1 A 14 14 ASN C C 14 174.400 174.516 -0.116 1
1 84 . 11 1 1 A 15 15 CYS N N 15 124.052 121.599 2.453 1
1 85 . 11 1 1 A 15 15 CYS H H 15 9.215 9.178 0.037 1
1 86 . 11 1 1 A 15 15 CYS CA C 15 59.463 58.633 0.830 1
1 87 . 11 1 1 A 15 15 CYS HA H 15 4.541 4.919 -0.378 1
1 88 . 11 1 1 A 15 15 CYS CB C 15 29.688 29.389 0.299 1
1 91 . 11 1 1 A 15 15 CYS C C 15 177.069 175.173 1.896 1
1 92 . 11 1 1 A 16 16 ASN N N 16 130.116 124.927 5.189 1
1 93 . 11 1 1 A 16 16 ASN H H 16 9.386 8.977 0.409 1
1 94 . 11 1 1 A 16 16 ASN CA C 16 55.613 52.200 3.413 1
1 95 . 11 1 1 A 16 16 ASN HA H 16 4.515 5.082 -0.567 1
1 96 . 11 1 1 A 16 16 ASN CB C 16 38.236 39.026 -0.790 1
1 102 . 11 1 1 A 16 16 ASN C C 16 175.385 176.247 -0.862 1
1 103 . 11 1 1 A 17 17 GLU N N 17 120.832 120.494 0.338 1
1 104 . 11 1 1 A 17 17 GLU H H 17 8.687 8.003 0.684 1
1 105 . 11 1 1 A 17 17 GLU CA C 17 58.362 56.956 1.406 1
1 106 . 11 1 1 A 17 17 GLU HA H 17 4.224 4.454 -0.230 1
1 107 . 11 1 1 A 17 17 GLU CB C 17 29.626 32.192 -2.566 1
1 113 . 11 1 1 A 17 17 GLU C C 17 177.037 177.522 -0.485 1
1 114 . 11 1 1 A 18 18 CYS N N 18 114.739 115.120 -0.381 1
1 115 . 11 1 1 A 18 18 CYS H H 18 7.888 8.037 -0.149 1
1 116 . 11 1 1 A 18 18 CYS CA C 18 58.338 59.209 -0.871 1
1 117 . 11 1 1 A 18 18 CYS HA H 18 5.145 4.592 0.553 1
1 118 . 11 1 1 A 18 18 CYS CB C 18 32.372 30.260 2.112 1
1 121 . 11 1 1 A 18 18 CYS C C 18 176.190 175.519 0.671 1
1 122 . 11 1 1 A 19 19 GLY N N 19 113.385 110.104 3.281 1
1 123 . 11 1 1 A 19 19 GLY H H 19 8.188 8.332 -0.144 1
1 124 . 11 1 1 A 19 19 GLY CA C 19 46.207 45.763 0.444 1
1 125 . 11 1 1 A 19 19 GLY HA2 H 19 3.890 4.059 -0.169 1
1 126 . 11 1 1 A 19 19 GLY HA3 H 19 4.212 4.074 0.138 1
1 127 . 11 1 1 A 19 19 GLY C C 19 174.091 174.013 0.078 1
1 128 . 11 1 1 A 20 20 LYS N N 20 123.027 118.815 4.212 1
1 129 . 11 1 1 A 20 20 LYS H H 20 7.879 7.878 0.001 1
1 130 . 11 1 1 A 20 20 LYS CA C 20 58.200 54.050 4.150 1
1 131 . 11 1 1 A 20 20 LYS HA H 20 3.916 4.689 -0.773 1
1 132 . 11 1 1 A 20 20 LYS CB C 20 33.874 35.416 -1.542 1
1 144 . 11 1 1 A 20 20 LYS C C 20 173.619 174.931 -1.312 1
1 145 . 11 1 1 A 21 21 ALA N N 21 124.096 120.858 3.238 1
1 146 . 11 1 1 A 21 21 ALA H H 21 7.788 8.365 -0.577 1
1 147 . 11 1 1 A 21 21 ALA CA C 21 50.996 49.972 1.024 1
1 148 . 11 1 1 A 21 21 ALA HA H 21 4.931 5.302 -0.371 1
1 149 . 11 1 1 A 21 21 ALA CB C 21 21.943 22.436 -0.493 1
1 153 . 11 1 1 A 21 21 ALA C C 21 176.797 175.277 1.520 1
1 154 . 11 1 1 A 22 22 PHE N N 22 117.342 116.960 0.382 1
1 155 . 11 1 1 A 22 22 PHE H H 22 8.610 8.645 -0.035 1
1 156 . 11 1 1 A 22 22 PHE CA C 22 57.093 56.635 0.458 1
1 157 . 11 1 1 A 22 22 PHE HA H 22 4.858 4.937 -0.079 1
1 158 . 11 1 1 A 22 22 PHE CB C 22 43.718 41.261 2.457 1
1 171 . 11 1 1 A 22 22 PHE C C 22 175.933 175.837 0.096 1
1 172 . 11 1 1 A 23 23 THR CA C 23 62.823 64.752 -1.929 1
1 173 . 11 1 1 A 23 23 THR HA H 23 4.685 4.148 0.537 1
1 174 . 11 1 1 A 23 23 THR CB C 23 69.904 69.254 0.650 1
1 180 . 11 1 1 A 23 23 THR C C 23 175.088 174.365 0.723 1
1 181 . 11 1 1 A 24 24 ARG N N 24 116.983 120.220 -3.237 1
1 182 . 11 1 1 A 24 24 ARG H H 24 7.249 7.790 -0.541 1
1 183 . 11 1 1 A 24 24 ARG CA C 24 53.376 54.825 -1.449 1
1 184 . 11 1 1 A 24 24 ARG HA H 24 4.789 4.883 -0.094 1
1 185 . 11 1 1 A 24 24 ARG CB C 24 33.354 32.302 1.052 1
1 194 . 11 1 1 A 24 24 ARG C C 24 177.127 176.332 0.795 1
1 195 . 11 1 1 A 25 25 ILE N N 25 126.047 124.920 1.127 1
1 196 . 11 1 1 A 25 25 ILE H H 25 8.578 8.786 -0.208 1
1 197 . 11 1 1 A 25 25 ILE CA C 25 63.728 63.773 -0.045 1
1 198 . 11 1 1 A 25 25 ILE HA H 25 3.203 3.600 -0.397 1
1 199 . 11 1 1 A 25 25 ILE CB C 25 37.142 37.082 0.060 1
1 212 . 11 1 1 A 25 25 ILE C C 25 176.844 177.213 -0.369 1
1 213 . 11 1 1 A 26 26 PHE CA C 26 59.118 60.157 -1.039 1
1 214 . 11 1 1 A 26 26 PHE HA H 26 4.429 4.329 0.100 1
1 215 . 11 1 1 A 26 26 PHE CB C 26 38.494 37.720 0.774 1
1 224 . 11 1 1 A 26 26 PHE C C 26 177.609 177.377 0.232 1
1 225 . 11 1 1 A 27 27 HIS N N 27 117.282 119.949 -2.667 1
1 226 . 11 1 1 A 27 27 HIS H H 27 6.564 7.226 -0.662 1
1 227 . 11 1 1 A 27 27 HIS CA C 27 57.363 59.027 -1.664 1
1 228 . 11 1 1 A 27 27 HIS HA H 27 4.358 3.938 0.420 1
1 229 . 11 1 1 A 27 27 HIS CB C 27 31.719 29.585 2.134 1
1 234 . 11 1 1 A 27 27 HIS C C 27 178.164 176.662 1.502 1
1 235 . 11 1 1 A 28 28 LEU N N 28 122.177 120.001 2.176 1
1 236 . 11 1 1 A 28 28 LEU H H 28 7.044 7.773 -0.729 1
1 237 . 11 1 1 A 28 28 LEU CA C 28 58.040 57.299 0.741 1
1 238 . 11 1 1 A 28 28 LEU HA H 28 3.196 3.030 0.166 1
1 239 . 11 1 1 A 28 28 LEU CB C 28 40.283 41.828 -1.545 1
1 252 . 11 1 1 A 28 28 LEU C C 28 177.790 177.950 -0.160 1
1 253 . 11 1 1 A 29 29 THR N N 29 114.476 114.116 0.360 1
1 254 . 11 1 1 A 29 29 THR H H 29 8.616 7.986 0.630 1
1 255 . 11 1 1 A 29 29 THR CA C 29 66.015 65.523 0.492 1
1 256 . 11 1 1 A 29 29 THR HA H 29 3.943 3.752 0.191 1
1 257 . 11 1 1 A 29 29 THR CB C 29 68.316 68.780 -0.464 1
1 263 . 11 1 1 A 29 29 THR C C 29 177.269 176.359 0.910 1
1 264 . 11 1 1 A 30 30 ARG N N 30 120.519 120.303 0.216 1
1 265 . 11 1 1 A 30 30 ARG H H 30 7.354 8.487 -1.133 1
1 266 . 11 1 1 A 30 30 ARG CA C 30 59.260 57.815 1.445 1
1 267 . 11 1 1 A 30 30 ARG HA H 30 3.948 4.169 -0.221 1
1 268 . 11 1 1 A 30 30 ARG CB C 30 30.125 28.962 1.163 1
1 277 . 11 1 1 A 30 30 ARG C C 30 178.650 177.789 0.861 1
1 278 . 11 1 1 A 31 31 HIS N N 31 119.426 119.756 -0.330 1
1 279 . 11 1 1 A 31 31 HIS H H 31 7.522 8.063 -0.541 1
1 280 . 11 1 1 A 31 31 HIS CA C 31 59.079 58.426 0.653 1
1 281 . 11 1 1 A 31 31 HIS HA H 31 4.191 4.169 0.022 1
1 282 . 11 1 1 A 31 31 HIS CB C 31 28.539 29.885 -1.346 1
1 289 . 11 1 1 A 31 31 HIS C C 31 176.154 177.010 -0.856 1
1 290 . 11 1 1 A 32 32 GLN N N 32 114.933 118.267 -3.334 1
1 291 . 11 1 1 A 32 32 GLN H H 32 8.342 8.560 -0.218 1
1 292 . 11 1 1 A 32 32 GLN CA C 32 59.352 58.717 0.635 1
1 293 . 11 1 1 A 32 32 GLN HA H 32 3.629 3.763 -0.134 1
1 294 . 11 1 1 A 32 32 GLN CB C 32 28.360 28.134 0.226 1
1 303 . 11 1 1 A 32 32 GLN C C 32 177.376 177.377 -0.001 1
1 304 . 11 1 1 A 33 33 LYS N N 33 117.471 116.608 0.863 1
1 305 . 11 1 1 A 33 33 LYS H H 33 7.047 7.350 -0.303 1
1 306 . 11 1 1 A 33 33 LYS CA C 33 58.359 56.984 1.375 1
1 307 . 11 1 1 A 33 33 LYS HA H 33 4.059 4.126 -0.067 1
1 308 . 11 1 1 A 33 33 LYS CB C 33 32.214 31.908 0.306 1
1 320 . 11 1 1 A 33 33 LYS C C 33 178.607 177.255 1.352 1
1 321 . 11 1 1 A 34 34 ILE N N 34 115.534 115.716 -0.182 1
1 322 . 11 1 1 A 34 34 ILE H H 34 7.799 7.670 0.129 1
1 323 . 11 1 1 A 34 34 ILE CA C 34 62.935 60.490 2.445 1
1 324 . 11 1 1 A 34 34 ILE HA H 34 3.978 4.336 -0.358 1
1 325 . 11 1 1 A 34 34 ILE CB C 34 37.719 38.784 -1.065 1
1 338 . 11 1 1 A 34 34 ILE C C 34 177.151 176.156 0.995 1
1 339 . 11 1 1 A 35 35 HIS N N 35 117.940 120.685 -2.745 1
1 340 . 11 1 1 A 35 35 HIS H H 35 7.211 7.819 -0.608 1
1 341 . 11 1 1 A 35 35 HIS CA C 35 54.796 54.534 0.262 1
1 342 . 11 1 1 A 35 35 HIS HA H 35 4.831 4.710 0.121 1
1 343 . 11 1 1 A 35 35 HIS CB C 35 28.553 28.309 0.244 1
1 350 . 11 1 1 A 35 35 HIS C C 35 175.116 175.607 -0.491 1
1 351 . 11 1 1 A 36 36 THR N N 36 113.656 110.895 2.761 1
1 352 . 11 1 1 A 36 36 THR H H 36 7.712 7.467 0.245 1
1 353 . 11 1 1 A 36 36 THR CA C 36 62.445 62.703 -0.258 1
1 354 . 11 1 1 A 36 36 THR HA H 36 4.288 4.444 -0.156 1
1 355 . 11 1 1 A 36 36 THR CB C 36 69.822 69.712 0.110 1
1 361 . 11 1 1 A 36 36 THR C C 36 174.481 175.288 -0.807 1
1 362 . 11 1 1 A 37 37 ARG N N 37 123.945 121.731 2.214 1
1 363 . 11 1 1 A 37 37 ARG H H 37 8.264 7.631 0.633 1
1 364 . 11 1 1 A 37 37 ARG CA C 37 56.202 55.425 0.777 1
1 365 . 11 1 1 A 37 37 ARG HA H 37 4.357 4.507 -0.150 1
1 366 . 11 1 1 A 37 37 ARG CB C 37 30.808 31.215 -0.407 1
1 375 . 11 1 1 A 38 38 LYS N N 38 128.503 121.433 7.070 1
1 376 . 11 1 1 A 38 38 LYS H H 38 8.048 8.469 -0.421 1
1 377 . 11 1 1 A 38 38 LYS CA C 38 57.651 57.015 0.636 1
1 378 . 11 1 1 A 38 38 LYS HA H 38 4.147 4.302 -0.155 1
1 379 . 11 1 1 A 38 38 LYS CB C 38 33.710 32.284 1.426 1
1 391 . 11 1 1 A 40 40 GLY CA C 40 44.605 46.432 -1.827 1
1 392 . 11 1 1 A 40 40 GLY HA2 H 40 4.130 3.946 0.184 1
1 393 . 11 1 1 A 40 40 GLY HA3 H 40 4.130 3.952 0.178 1
1 394 . 11 1 1 A 41 41 PRO CA C 41 63.289 63.481 -0.192 1
1 395 . 11 1 1 A 41 41 PRO HA H 41 4.468 4.365 0.103 1
1 396 . 11 1 1 A 41 41 PRO CB C 41 32.206 31.275 0.931 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.484 45.002 0.482 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.025 3.927 0.098 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.025 3.928 0.097 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.529 175.053 -0.524 1
1 5 . 12 1 1 A 8 8 THR N N 8 113.203 114.542 -1.339 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.121 8.549 -0.428 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.909 61.327 0.582 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.352 4.638 -0.286 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.714 68.427 1.287 1
1 15 . 12 1 1 A 8 8 THR C C 8 174.447 172.705 1.742 1
1 16 . 12 1 1 A 9 9 ASP N N 9 122.758 120.940 1.818 1
1 17 . 12 1 1 A 9 9 ASP H H 9 8.411 7.818 0.593 1
1 18 . 12 1 1 A 9 9 ASP CA C 9 54.415 53.032 1.383 1
1 19 . 12 1 1 A 9 9 ASP HA H 9 4.660 5.290 -0.630 1
1 20 . 12 1 1 A 9 9 ASP CB C 9 41.177 43.728 -2.551 1
1 23 . 12 1 1 A 9 9 ASP C C 9 176.142 174.956 1.186 1
1 24 . 12 1 1 A 10 10 SER N N 10 116.278 118.413 -2.135 1
1 25 . 12 1 1 A 10 10 SER H H 10 8.205 8.716 -0.511 1
1 26 . 12 1 1 A 10 10 SER CA C 10 58.390 57.122 1.268 1
1 27 . 12 1 1 A 10 10 SER HA H 10 4.400 4.875 -0.475 1
1 28 . 12 1 1 A 10 10 SER CB C 10 63.777 66.102 -2.325 1
1 31 . 12 1 1 A 10 10 SER C C 10 174.207 172.912 1.295 1
1 32 . 12 1 1 A 11 11 LYS N N 11 123.340 123.296 0.044 1
1 33 . 12 1 1 A 11 11 LYS H H 11 8.288 8.649 -0.361 1
1 34 . 12 1 1 A 11 11 LYS CA C 11 55.992 54.907 1.085 1
1 35 . 12 1 1 A 11 11 LYS HA H 11 4.254 4.940 -0.686 1
1 36 . 12 1 1 A 11 11 LYS CB C 11 33.080 34.765 -1.685 1
1 48 . 12 1 1 A 11 11 LYS C C 11 175.464 175.207 0.257 1
1 49 . 12 1 1 A 12 12 SER N N 12 115.376 113.825 1.551 1
1 50 . 12 1 1 A 12 12 SER H H 12 7.783 8.348 -0.565 1
1 51 . 12 1 1 A 12 12 SER CA C 12 57.470 57.155 0.315 1
1 52 . 12 1 1 A 12 12 SER HA H 12 4.484 4.749 -0.265 1
1 53 . 12 1 1 A 12 12 SER CB C 12 64.666 66.342 -1.676 1
1 56 . 12 1 1 A 12 12 SER C C 12 172.585 171.932 0.653 1
1 57 . 12 1 1 A 13 13 TYR N N 13 122.308 122.434 -0.126 1
1 58 . 12 1 1 A 13 13 TYR H H 13 8.678 8.756 -0.078 1
1 59 . 12 1 1 A 13 13 TYR CA C 13 57.124 56.345 0.779 1
1 60 . 12 1 1 A 13 13 TYR HA H 13 4.644 5.290 -0.646 1
1 61 . 12 1 1 A 13 13 TYR CB C 13 39.856 40.692 -0.836 1
1 72 . 12 1 1 A 13 13 TYR C C 13 174.849 175.370 -0.521 1
1 73 . 12 1 1 A 14 14 ASN N N 14 121.239 120.755 0.484 1
1 74 . 12 1 1 A 14 14 ASN H H 14 8.692 8.949 -0.257 1
1 75 . 12 1 1 A 14 14 ASN CA C 14 52.525 52.074 0.451 1
1 76 . 12 1 1 A 14 14 ASN HA H 14 5.463 5.662 -0.199 1
1 77 . 12 1 1 A 14 14 ASN CB C 14 40.600 42.359 -1.759 1
1 83 . 12 1 1 A 14 14 ASN C C 14 174.400 174.184 0.216 1
1 84 . 12 1 1 A 15 15 CYS N N 15 124.052 123.849 0.203 1
1 85 . 12 1 1 A 15 15 CYS H H 15 9.215 9.581 -0.366 1
1 86 . 12 1 1 A 15 15 CYS CA C 15 59.463 59.859 -0.396 1
1 87 . 12 1 1 A 15 15 CYS HA H 15 4.541 4.602 -0.061 1
1 88 . 12 1 1 A 15 15 CYS CB C 15 29.688 28.491 1.197 1
1 91 . 12 1 1 A 15 15 CYS C C 15 177.069 175.869 1.200 1
1 92 . 12 1 1 A 16 16 ASN N N 16 130.116 127.064 3.052 1
1 93 . 12 1 1 A 16 16 ASN H H 16 9.386 9.328 0.058 1
1 94 . 12 1 1 A 16 16 ASN CA C 16 55.613 55.502 0.111 1
1 95 . 12 1 1 A 16 16 ASN HA H 16 4.515 4.561 -0.046 1
1 96 . 12 1 1 A 16 16 ASN CB C 16 38.236 38.568 -0.332 1
1 102 . 12 1 1 A 16 16 ASN C C 16 175.385 177.304 -1.919 1
1 103 . 12 1 1 A 17 17 GLU N N 17 120.832 118.620 2.212 1
1 104 . 12 1 1 A 17 17 GLU H H 17 8.687 8.403 0.284 1
1 105 . 12 1 1 A 17 17 GLU CA C 17 58.362 59.292 -0.930 1
1 106 . 12 1 1 A 17 17 GLU HA H 17 4.224 3.963 0.261 1
1 107 . 12 1 1 A 17 17 GLU CB C 17 29.626 29.183 0.443 1
1 113 . 12 1 1 A 17 17 GLU C C 17 177.037 177.958 -0.921 1
1 114 . 12 1 1 A 18 18 CYS N N 18 114.739 115.220 -0.481 1
1 115 . 12 1 1 A 18 18 CYS H H 18 7.888 7.977 -0.089 1
1 116 . 12 1 1 A 18 18 CYS CA C 18 58.338 59.599 -1.261 1
1 117 . 12 1 1 A 18 18 CYS HA H 18 5.145 4.608 0.537 1
1 118 . 12 1 1 A 18 18 CYS CB C 18 32.372 29.919 2.453 1
1 121 . 12 1 1 A 18 18 CYS C C 18 176.190 175.399 0.791 1
1 122 . 12 1 1 A 19 19 GLY N N 19 113.385 110.126 3.259 1
1 123 . 12 1 1 A 19 19 GLY H H 19 8.188 8.394 -0.206 1
1 124 . 12 1 1 A 19 19 GLY CA C 19 46.207 46.200 0.007 1
1 125 . 12 1 1 A 19 19 GLY HA2 H 19 3.890 4.006 -0.116 1
1 126 . 12 1 1 A 19 19 GLY HA3 H 19 4.212 4.019 0.193 1
1 127 . 12 1 1 A 19 19 GLY C C 19 174.091 174.185 -0.094 1
1 128 . 12 1 1 A 20 20 LYS N N 20 123.027 119.279 3.748 1
1 129 . 12 1 1 A 20 20 LYS H H 20 7.879 7.448 0.431 1
1 130 . 12 1 1 A 20 20 LYS CA C 20 58.200 54.178 4.022 1
1 131 . 12 1 1 A 20 20 LYS HA H 20 3.916 4.635 -0.719 1
1 132 . 12 1 1 A 20 20 LYS CB C 20 33.874 35.676 -1.802 1
1 144 . 12 1 1 A 20 20 LYS C C 20 173.619 174.604 -0.985 1
1 145 . 12 1 1 A 21 21 ALA N N 21 124.096 125.800 -1.704 1
1 146 . 12 1 1 A 21 21 ALA H H 21 7.788 8.680 -0.892 1
1 147 . 12 1 1 A 21 21 ALA CA C 21 50.996 50.206 0.790 1
1 148 . 12 1 1 A 21 21 ALA HA H 21 4.931 5.270 -0.339 1
1 149 . 12 1 1 A 21 21 ALA CB C 21 21.943 20.875 1.068 1
1 153 . 12 1 1 A 21 21 ALA C C 21 176.797 176.385 0.412 1
1 154 . 12 1 1 A 22 22 PHE N N 22 117.342 119.345 -2.003 1
1 155 . 12 1 1 A 22 22 PHE H H 22 8.610 9.286 -0.676 1
1 156 . 12 1 1 A 22 22 PHE CA C 22 57.093 56.932 0.161 1
1 157 . 12 1 1 A 22 22 PHE HA H 22 4.858 4.980 -0.122 1
1 158 . 12 1 1 A 22 22 PHE CB C 22 43.718 42.904 0.814 1
1 171 . 12 1 1 A 22 22 PHE C C 22 175.933 175.828 0.105 1
1 172 . 12 1 1 A 23 23 THR CA C 23 62.823 62.777 0.046 1
1 173 . 12 1 1 A 23 23 THR HA H 23 4.685 4.451 0.234 1
1 174 . 12 1 1 A 23 23 THR CB C 23 69.904 69.681 0.223 1
1 180 . 12 1 1 A 23 23 THR C C 23 175.088 175.178 -0.090 1
1 181 . 12 1 1 A 24 24 ARG N N 24 116.983 121.589 -4.606 1
1 182 . 12 1 1 A 24 24 ARG H H 24 7.249 7.741 -0.492 1
1 183 . 12 1 1 A 24 24 ARG CA C 24 53.376 54.344 -0.968 1
1 184 . 12 1 1 A 24 24 ARG HA H 24 4.789 4.360 0.429 1
1 185 . 12 1 1 A 24 24 ARG CB C 24 33.354 30.559 2.795 1
1 194 . 12 1 1 A 24 24 ARG C C 24 177.127 176.468 0.659 1
1 195 . 12 1 1 A 25 25 ILE N N 25 126.047 123.841 2.206 1
1 196 . 12 1 1 A 25 25 ILE H H 25 8.578 8.104 0.474 1
1 197 . 12 1 1 A 25 25 ILE CA C 25 63.728 63.222 0.506 1
1 198 . 12 1 1 A 25 25 ILE HA H 25 3.203 3.667 -0.464 1
1 199 . 12 1 1 A 25 25 ILE CB C 25 37.142 38.491 -1.349 1
1 212 . 12 1 1 A 25 25 ILE C C 25 176.844 177.473 -0.629 1
1 213 . 12 1 1 A 26 26 PHE CA C 26 59.118 59.011 0.107 1
1 214 . 12 1 1 A 26 26 PHE HA H 26 4.429 4.321 0.108 1
1 215 . 12 1 1 A 26 26 PHE CB C 26 38.494 37.845 0.649 1
1 224 . 12 1 1 A 26 26 PHE C C 26 177.609 177.391 0.218 1
1 225 . 12 1 1 A 27 27 HIS N N 27 117.282 117.593 -0.311 1
1 226 . 12 1 1 A 27 27 HIS H H 27 6.564 7.653 -1.089 1
1 227 . 12 1 1 A 27 27 HIS CA C 27 57.363 59.496 -2.133 1
1 228 . 12 1 1 A 27 27 HIS HA H 27 4.358 4.340 0.018 1
1 229 . 12 1 1 A 27 27 HIS CB C 27 31.719 30.483 1.236 1
1 234 . 12 1 1 A 27 27 HIS C C 27 178.164 177.594 0.570 1
1 235 . 12 1 1 A 28 28 LEU N N 28 122.177 119.624 2.553 1
1 236 . 12 1 1 A 28 28 LEU H H 28 7.044 7.727 -0.683 1
1 237 . 12 1 1 A 28 28 LEU CA C 28 58.040 57.429 0.611 1
1 238 . 12 1 1 A 28 28 LEU HA H 28 3.196 3.157 0.039 1
1 239 . 12 1 1 A 28 28 LEU CB C 28 40.283 41.511 -1.228 1
1 252 . 12 1 1 A 28 28 LEU C C 28 177.790 178.376 -0.586 1
1 253 . 12 1 1 A 29 29 THR N N 29 114.476 114.708 -0.232 1
1 254 . 12 1 1 A 29 29 THR H H 29 8.616 8.123 0.493 1
1 255 . 12 1 1 A 29 29 THR CA C 29 66.015 66.994 -0.979 1
1 256 . 12 1 1 A 29 29 THR HA H 29 3.943 3.889 0.054 1
1 257 . 12 1 1 A 29 29 THR CB C 29 68.316 68.238 0.078 1
1 263 . 12 1 1 A 29 29 THR C C 29 177.269 177.061 0.208 1
1 264 . 12 1 1 A 30 30 ARG N N 30 120.519 120.012 0.507 1
1 265 . 12 1 1 A 30 30 ARG H H 30 7.354 8.421 -1.067 1
1 266 . 12 1 1 A 30 30 ARG CA C 30 59.260 57.729 1.531 1
1 267 . 12 1 1 A 30 30 ARG HA H 30 3.948 4.183 -0.235 1
1 268 . 12 1 1 A 30 30 ARG CB C 30 30.125 28.778 1.347 1
1 277 . 12 1 1 A 30 30 ARG C C 30 178.650 178.182 0.468 1
1 278 . 12 1 1 A 31 31 HIS N N 31 119.426 120.090 -0.664 1
1 279 . 12 1 1 A 31 31 HIS H H 31 7.522 8.011 -0.489 1
1 280 . 12 1 1 A 31 31 HIS CA C 31 59.079 58.802 0.277 1
1 281 . 12 1 1 A 31 31 HIS HA H 31 4.191 4.109 0.082 1
1 282 . 12 1 1 A 31 31 HIS CB C 31 28.539 30.061 -1.522 1
1 289 . 12 1 1 A 31 31 HIS C C 31 176.154 176.948 -0.794 1
1 290 . 12 1 1 A 32 32 GLN N N 32 114.933 117.269 -2.336 1
1 291 . 12 1 1 A 32 32 GLN H H 32 8.342 8.174 0.168 1
1 292 . 12 1 1 A 32 32 GLN CA C 32 59.352 58.945 0.407 1
1 293 . 12 1 1 A 32 32 GLN HA H 32 3.629 3.658 -0.029 1
1 294 . 12 1 1 A 32 32 GLN CB C 32 28.360 28.388 -0.028 1
1 303 . 12 1 1 A 32 32 GLN C C 32 177.376 178.370 -0.994 1
1 304 . 12 1 1 A 33 33 LYS N N 33 117.471 119.615 -2.144 1
1 305 . 12 1 1 A 33 33 LYS H H 33 7.047 8.114 -1.067 1
1 306 . 12 1 1 A 33 33 LYS CA C 33 58.359 58.926 -0.567 1
1 307 . 12 1 1 A 33 33 LYS HA H 33 4.059 3.937 0.122 1
1 308 . 12 1 1 A 33 33 LYS CB C 33 32.214 32.316 -0.102 1
1 320 . 12 1 1 A 33 33 LYS C C 33 178.607 179.012 -0.405 1
1 321 . 12 1 1 A 34 34 ILE N N 34 115.534 116.874 -1.340 1
1 322 . 12 1 1 A 34 34 ILE H H 34 7.799 8.152 -0.353 1
1 323 . 12 1 1 A 34 34 ILE CA C 34 62.935 63.663 -0.728 1
1 324 . 12 1 1 A 34 34 ILE HA H 34 3.978 3.839 0.139 1
1 325 . 12 1 1 A 34 34 ILE CB C 34 37.719 37.306 0.413 1
1 338 . 12 1 1 A 34 34 ILE C C 34 177.151 176.370 0.781 1
1 339 . 12 1 1 A 35 35 HIS N N 35 117.940 120.986 -3.046 1
1 340 . 12 1 1 A 35 35 HIS H H 35 7.211 7.702 -0.491 1
1 341 . 12 1 1 A 35 35 HIS CA C 35 54.796 55.427 -0.631 1
1 342 . 12 1 1 A 35 35 HIS HA H 35 4.831 4.693 0.138 1
1 343 . 12 1 1 A 35 35 HIS CB C 35 28.553 28.538 0.015 1
1 350 . 12 1 1 A 35 35 HIS C C 35 175.116 175.219 -0.103 1
1 351 . 12 1 1 A 36 36 THR N N 36 113.656 115.431 -1.775 1
1 352 . 12 1 1 A 36 36 THR H H 36 7.712 8.459 -0.747 1
1 353 . 12 1 1 A 36 36 THR CA C 36 62.445 62.394 0.051 1
1 354 . 12 1 1 A 36 36 THR HA H 36 4.288 4.398 -0.110 1
1 355 . 12 1 1 A 36 36 THR CB C 36 69.822 69.905 -0.083 1
1 361 . 12 1 1 A 36 36 THR C C 36 174.481 174.076 0.405 1
1 362 . 12 1 1 A 37 37 ARG N N 37 123.945 122.028 1.917 1
1 363 . 12 1 1 A 37 37 ARG H H 37 8.264 7.952 0.312 1
1 364 . 12 1 1 A 37 37 ARG CA C 37 56.202 55.190 1.012 1
1 365 . 12 1 1 A 37 37 ARG HA H 37 4.357 4.491 -0.134 1
1 366 . 12 1 1 A 37 37 ARG CB C 37 30.808 30.765 0.043 1
1 375 . 12 1 1 A 38 38 LYS N N 38 128.503 125.215 3.288 1
1 376 . 12 1 1 A 38 38 LYS H H 38 8.048 8.517 -0.469 1
1 377 . 12 1 1 A 38 38 LYS CA C 38 57.651 58.720 -1.069 1
1 378 . 12 1 1 A 38 38 LYS HA H 38 4.147 4.101 0.046 1
1 379 . 12 1 1 A 38 38 LYS CB C 38 33.710 32.257 1.453 1
1 391 . 12 1 1 A 40 40 GLY CA C 40 44.605 44.542 0.063 1
1 392 . 12 1 1 A 40 40 GLY HA2 H 40 4.130 4.175 -0.045 1
1 393 . 12 1 1 A 40 40 GLY HA3 H 40 4.130 4.175 -0.045 1
1 394 . 12 1 1 A 41 41 PRO CA C 41 63.289 62.815 0.474 1
1 395 . 12 1 1 A 41 41 PRO HA H 41 4.468 4.532 -0.064 1
1 396 . 12 1 1 A 41 41 PRO CB C 41 32.206 32.094 0.112 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.484 44.804 0.680 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.025 4.358 -0.333 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.025 4.359 -0.334 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.529 172.905 1.624 1
1 5 . 13 1 1 A 8 8 THR N N 8 113.203 116.011 -2.808 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.121 8.460 -0.339 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.909 62.464 -0.555 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.352 4.253 0.099 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.714 69.473 0.241 1
1 15 . 13 1 1 A 8 8 THR C C 8 174.447 173.303 1.144 1
1 16 . 13 1 1 A 9 9 ASP N N 9 122.758 126.950 -4.192 1
1 17 . 13 1 1 A 9 9 ASP H H 9 8.411 9.029 -0.618 1
1 18 . 13 1 1 A 9 9 ASP CA C 9 54.415 52.546 1.869 1
1 19 . 13 1 1 A 9 9 ASP HA H 9 4.660 5.095 -0.435 1
1 20 . 13 1 1 A 9 9 ASP CB C 9 41.177 45.251 -4.074 1
1 23 . 13 1 1 A 9 9 ASP C C 9 176.142 175.458 0.684 1
1 24 . 13 1 1 A 10 10 SER N N 10 116.278 116.485 -0.207 1
1 25 . 13 1 1 A 10 10 SER H H 10 8.205 8.722 -0.517 1
1 26 . 13 1 1 A 10 10 SER CA C 10 58.390 58.565 -0.175 1
1 27 . 13 1 1 A 10 10 SER HA H 10 4.400 4.394 0.006 1
1 28 . 13 1 1 A 10 10 SER CB C 10 63.777 63.738 0.039 1
1 31 . 13 1 1 A 10 10 SER C C 10 174.207 174.624 -0.417 1
1 32 . 13 1 1 A 11 11 LYS N N 11 123.340 124.193 -0.853 1
1 33 . 13 1 1 A 11 11 LYS H H 11 8.288 8.241 0.047 1
1 34 . 13 1 1 A 11 11 LYS CA C 11 55.992 55.320 0.672 1
1 35 . 13 1 1 A 11 11 LYS HA H 11 4.254 4.316 -0.062 1
1 36 . 13 1 1 A 11 11 LYS CB C 11 33.080 33.063 0.017 1
1 48 . 13 1 1 A 11 11 LYS C C 11 175.464 175.379 0.085 1
1 49 . 13 1 1 A 12 12 SER N N 12 115.376 114.005 1.371 1
1 50 . 13 1 1 A 12 12 SER H H 12 7.783 8.349 -0.566 1
1 51 . 13 1 1 A 12 12 SER CA C 12 57.470 57.149 0.321 1
1 52 . 13 1 1 A 12 12 SER HA H 12 4.484 4.523 -0.039 1
1 53 . 13 1 1 A 12 12 SER CB C 12 64.666 64.832 -0.166 1
1 56 . 13 1 1 A 12 12 SER C C 12 172.585 172.050 0.535 1
1 57 . 13 1 1 A 13 13 TYR N N 13 122.308 121.979 0.329 1
1 58 . 13 1 1 A 13 13 TYR H H 13 8.678 8.563 0.115 1
1 59 . 13 1 1 A 13 13 TYR CA C 13 57.124 56.753 0.371 1
1 60 . 13 1 1 A 13 13 TYR HA H 13 4.644 5.288 -0.644 1
1 61 . 13 1 1 A 13 13 TYR CB C 13 39.856 39.786 0.070 1
1 72 . 13 1 1 A 13 13 TYR C C 13 174.849 175.077 -0.228 1
1 73 . 13 1 1 A 14 14 ASN N N 14 121.239 122.300 -1.061 1
1 74 . 13 1 1 A 14 14 ASN H H 14 8.692 9.065 -0.373 1
1 75 . 13 1 1 A 14 14 ASN CA C 14 52.525 51.810 0.715 1
1 76 . 13 1 1 A 14 14 ASN HA H 14 5.463 5.757 -0.294 1
1 77 . 13 1 1 A 14 14 ASN CB C 14 40.600 41.984 -1.384 1
1 83 . 13 1 1 A 14 14 ASN C C 14 174.400 174.546 -0.146 1
1 84 . 13 1 1 A 15 15 CYS N N 15 124.052 122.972 1.080 1
1 85 . 13 1 1 A 15 15 CYS H H 15 9.215 9.177 0.038 1
1 86 . 13 1 1 A 15 15 CYS CA C 15 59.463 59.198 0.265 1
1 87 . 13 1 1 A 15 15 CYS HA H 15 4.541 4.681 -0.140 1
1 88 . 13 1 1 A 15 15 CYS CB C 15 29.688 28.534 1.154 1
1 91 . 13 1 1 A 15 15 CYS C C 15 177.069 176.342 0.727 1
1 92 . 13 1 1 A 16 16 ASN N N 16 130.116 121.949 8.167 1
1 93 . 13 1 1 A 16 16 ASN H H 16 9.386 8.863 0.523 1
1 94 . 13 1 1 A 16 16 ASN CA C 16 55.613 52.789 2.824 1
1 95 . 13 1 1 A 16 16 ASN HA H 16 4.515 4.818 -0.303 1
1 96 . 13 1 1 A 16 16 ASN CB C 16 38.236 37.948 0.288 1
1 102 . 13 1 1 A 16 16 ASN C C 16 175.385 174.721 0.664 1
1 103 . 13 1 1 A 17 17 GLU N N 17 120.832 117.339 3.493 1
1 104 . 13 1 1 A 17 17 GLU H H 17 8.687 7.528 1.159 1
1 105 . 13 1 1 A 17 17 GLU CA C 17 58.362 56.657 1.705 1
1 106 . 13 1 1 A 17 17 GLU HA H 17 4.224 4.437 -0.213 1
1 107 . 13 1 1 A 17 17 GLU CB C 17 29.626 32.071 -2.445 1
1 113 . 13 1 1 A 17 17 GLU C C 17 177.037 177.495 -0.458 1
1 114 . 13 1 1 A 18 18 CYS N N 18 114.739 115.074 -0.335 1
1 115 . 13 1 1 A 18 18 CYS H H 18 7.888 8.005 -0.117 1
1 116 . 13 1 1 A 18 18 CYS CA C 18 58.338 59.054 -0.716 1
1 117 . 13 1 1 A 18 18 CYS HA H 18 5.145 4.673 0.472 1
1 118 . 13 1 1 A 18 18 CYS CB C 18 32.372 30.524 1.848 1
1 121 . 13 1 1 A 18 18 CYS C C 18 176.190 175.899 0.291 1
1 122 . 13 1 1 A 19 19 GLY N N 19 113.385 110.766 2.619 1
1 123 . 13 1 1 A 19 19 GLY H H 19 8.188 8.356 -0.168 1
1 124 . 13 1 1 A 19 19 GLY CA C 19 46.207 46.398 -0.191 1
1 125 . 13 1 1 A 19 19 GLY HA2 H 19 3.890 3.966 -0.076 1
1 126 . 13 1 1 A 19 19 GLY HA3 H 19 4.212 3.974 0.238 1
1 127 . 13 1 1 A 19 19 GLY C C 19 174.091 173.737 0.354 1
1 128 . 13 1 1 A 20 20 LYS N N 20 123.027 119.749 3.278 1
1 129 . 13 1 1 A 20 20 LYS H H 20 7.879 7.616 0.263 1
1 130 . 13 1 1 A 20 20 LYS CA C 20 58.200 54.467 3.733 1
1 131 . 13 1 1 A 20 20 LYS HA H 20 3.916 4.821 -0.905 1
1 132 . 13 1 1 A 20 20 LYS CB C 20 33.874 36.025 -2.151 1
1 144 . 13 1 1 A 20 20 LYS C C 20 173.619 174.304 -0.685 1
1 145 . 13 1 1 A 21 21 ALA N N 21 124.096 123.576 0.520 1
1 146 . 13 1 1 A 21 21 ALA H H 21 7.788 8.270 -0.482 1
1 147 . 13 1 1 A 21 21 ALA CA C 21 50.996 50.770 0.226 1
1 148 . 13 1 1 A 21 21 ALA HA H 21 4.931 5.181 -0.250 1
1 149 . 13 1 1 A 21 21 ALA CB C 21 21.943 22.026 -0.083 1
1 153 . 13 1 1 A 21 21 ALA C C 21 176.797 175.390 1.407 1
1 154 . 13 1 1 A 22 22 PHE N N 22 117.342 120.436 -3.094 1
1 155 . 13 1 1 A 22 22 PHE H H 22 8.610 9.273 -0.663 1
1 156 . 13 1 1 A 22 22 PHE CA C 22 57.093 56.313 0.780 1
1 157 . 13 1 1 A 22 22 PHE HA H 22 4.858 5.057 -0.199 1
1 158 . 13 1 1 A 22 22 PHE CB C 22 43.718 40.477 3.241 1
1 171 . 13 1 1 A 22 22 PHE C C 22 175.933 176.432 -0.499 1
1 172 . 13 1 1 A 23 23 THR CA C 23 62.823 63.718 -0.895 1
1 173 . 13 1 1 A 23 23 THR HA H 23 4.685 4.195 0.490 1
1 174 . 13 1 1 A 23 23 THR CB C 23 69.904 68.760 1.144 1
1 180 . 13 1 1 A 23 23 THR C C 23 175.088 174.759 0.329 1
1 181 . 13 1 1 A 24 24 ARG N N 24 116.983 121.171 -4.188 1
1 182 . 13 1 1 A 24 24 ARG H H 24 7.249 7.676 -0.427 1
1 183 . 13 1 1 A 24 24 ARG CA C 24 53.376 54.014 -0.638 1
1 184 . 13 1 1 A 24 24 ARG HA H 24 4.789 4.680 0.109 1
1 185 . 13 1 1 A 24 24 ARG CB C 24 33.354 32.634 0.720 1
1 194 . 13 1 1 A 24 24 ARG C C 24 177.127 176.137 0.990 1
1 195 . 13 1 1 A 25 25 ILE N N 25 126.047 124.290 1.757 1
1 196 . 13 1 1 A 25 25 ILE H H 25 8.578 8.506 0.072 1
1 197 . 13 1 1 A 25 25 ILE CA C 25 63.728 63.139 0.589 1
1 198 . 13 1 1 A 25 25 ILE HA H 25 3.203 3.629 -0.426 1
1 199 . 13 1 1 A 25 25 ILE CB C 25 37.142 38.128 -0.986 1
1 212 . 13 1 1 A 25 25 ILE C C 25 176.844 177.450 -0.606 1
1 213 . 13 1 1 A 26 26 PHE CA C 26 59.118 60.227 -1.109 1
1 214 . 13 1 1 A 26 26 PHE HA H 26 4.429 4.266 0.163 1
1 215 . 13 1 1 A 26 26 PHE CB C 26 38.494 37.861 0.633 1
1 224 . 13 1 1 A 26 26 PHE C C 26 177.609 177.255 0.354 1
1 225 . 13 1 1 A 27 27 HIS N N 27 117.282 120.305 -3.023 1
1 226 . 13 1 1 A 27 27 HIS H H 27 6.564 7.471 -0.907 1
1 227 . 13 1 1 A 27 27 HIS CA C 27 57.363 59.757 -2.394 1
1 228 . 13 1 1 A 27 27 HIS HA H 27 4.358 4.330 0.028 1
1 229 . 13 1 1 A 27 27 HIS CB C 27 31.719 29.912 1.807 1
1 234 . 13 1 1 A 27 27 HIS C C 27 178.164 176.314 1.850 1
1 235 . 13 1 1 A 28 28 LEU N N 28 122.177 119.987 2.190 1
1 236 . 13 1 1 A 28 28 LEU H H 28 7.044 7.755 -0.711 1
1 237 . 13 1 1 A 28 28 LEU CA C 28 58.040 57.816 0.224 1
1 238 . 13 1 1 A 28 28 LEU HA H 28 3.196 2.689 0.507 1
1 239 . 13 1 1 A 28 28 LEU CB C 28 40.283 41.424 -1.141 1
1 252 . 13 1 1 A 28 28 LEU C C 28 177.790 178.512 -0.722 1
1 253 . 13 1 1 A 29 29 THR N N 29 114.476 114.361 0.115 1
1 254 . 13 1 1 A 29 29 THR H H 29 8.616 7.490 1.126 1
1 255 . 13 1 1 A 29 29 THR CA C 29 66.015 66.980 -0.965 1
1 256 . 13 1 1 A 29 29 THR HA H 29 3.943 3.802 0.141 1
1 257 . 13 1 1 A 29 29 THR CB C 29 68.316 68.716 -0.400 1
1 263 . 13 1 1 A 29 29 THR C C 29 177.269 176.267 1.002 1
1 264 . 13 1 1 A 30 30 ARG N N 30 120.519 121.003 -0.484 1
1 265 . 13 1 1 A 30 30 ARG H H 30 7.354 7.518 -0.164 1
1 266 . 13 1 1 A 30 30 ARG CA C 30 59.260 59.075 0.185 1
1 267 . 13 1 1 A 30 30 ARG HA H 30 3.948 4.025 -0.077 1
1 268 . 13 1 1 A 30 30 ARG CB C 30 30.125 29.592 0.533 1
1 277 . 13 1 1 A 30 30 ARG C C 30 178.650 178.237 0.413 1
1 278 . 13 1 1 A 31 31 HIS N N 31 119.426 121.081 -1.655 1
1 279 . 13 1 1 A 31 31 HIS H H 31 7.522 7.855 -0.333 1
1 280 . 13 1 1 A 31 31 HIS CA C 31 59.079 59.360 -0.281 1
1 281 . 13 1 1 A 31 31 HIS HA H 31 4.191 4.139 0.052 1
1 282 . 13 1 1 A 31 31 HIS CB C 31 28.539 29.645 -1.106 1
1 289 . 13 1 1 A 31 31 HIS C C 31 176.154 176.925 -0.771 1
1 290 . 13 1 1 A 32 32 GLN N N 32 114.933 117.324 -2.391 1
1 291 . 13 1 1 A 32 32 GLN H H 32 8.342 8.281 0.061 1
1 292 . 13 1 1 A 32 32 GLN CA C 32 59.352 58.894 0.458 1
1 293 . 13 1 1 A 32 32 GLN HA H 32 3.629 3.573 0.056 1
1 294 . 13 1 1 A 32 32 GLN CB C 32 28.360 28.269 0.091 1
1 303 . 13 1 1 A 32 32 GLN C C 32 177.376 178.443 -1.067 1
1 304 . 13 1 1 A 33 33 LYS N N 33 117.471 120.051 -2.580 1
1 305 . 13 1 1 A 33 33 LYS H H 33 7.047 7.965 -0.918 1
1 306 . 13 1 1 A 33 33 LYS CA C 33 58.359 58.932 -0.573 1
1 307 . 13 1 1 A 33 33 LYS HA H 33 4.059 3.952 0.107 1
1 308 . 13 1 1 A 33 33 LYS CB C 33 32.214 32.509 -0.295 1
1 320 . 13 1 1 A 33 33 LYS C C 33 178.607 179.393 -0.786 1
1 321 . 13 1 1 A 34 34 ILE N N 34 115.534 116.888 -1.354 1
1 322 . 13 1 1 A 34 34 ILE H H 34 7.799 7.709 0.090 1
1 323 . 13 1 1 A 34 34 ILE CA C 34 62.935 63.545 -0.610 1
1 324 . 13 1 1 A 34 34 ILE HA H 34 3.978 3.747 0.231 1
1 325 . 13 1 1 A 34 34 ILE CB C 34 37.719 37.198 0.521 1
1 338 . 13 1 1 A 34 34 ILE C C 34 177.151 177.417 -0.266 1
1 339 . 13 1 1 A 35 35 HIS N N 35 117.940 119.499 -1.559 1
1 340 . 13 1 1 A 35 35 HIS H H 35 7.211 7.767 -0.556 1
1 341 . 13 1 1 A 35 35 HIS CA C 35 54.796 57.893 -3.097 1
1 342 . 13 1 1 A 35 35 HIS HA H 35 4.831 4.456 0.375 1
1 343 . 13 1 1 A 35 35 HIS CB C 35 28.553 31.243 -2.690 1
1 350 . 13 1 1 A 35 35 HIS C C 35 175.116 175.455 -0.339 1
1 351 . 13 1 1 A 36 36 THR N N 36 113.656 109.465 4.191 1
1 352 . 13 1 1 A 36 36 THR H H 36 7.712 7.956 -0.244 1
1 353 . 13 1 1 A 36 36 THR CA C 36 62.445 61.088 1.357 1
1 354 . 13 1 1 A 36 36 THR HA H 36 4.288 4.399 -0.111 1
1 355 . 13 1 1 A 36 36 THR CB C 36 69.822 69.306 0.516 1
1 361 . 13 1 1 A 36 36 THR C C 36 174.481 174.335 0.146 1
1 362 . 13 1 1 A 37 37 ARG N N 37 123.945 124.715 -0.770 1
1 363 . 13 1 1 A 37 37 ARG H H 37 8.264 8.741 -0.477 1
1 364 . 13 1 1 A 37 37 ARG CA C 37 56.202 53.565 2.637 1
1 365 . 13 1 1 A 37 37 ARG HA H 37 4.357 5.003 -0.646 1
1 366 . 13 1 1 A 37 37 ARG CB C 37 30.808 33.859 -3.051 1
1 375 . 13 1 1 A 38 38 LYS N N 38 128.503 120.953 7.550 1
1 376 . 13 1 1 A 38 38 LYS H H 38 8.048 8.288 -0.240 1
1 377 . 13 1 1 A 38 38 LYS CA C 38 57.651 56.278 1.373 1
1 378 . 13 1 1 A 38 38 LYS HA H 38 4.147 4.430 -0.283 1
1 379 . 13 1 1 A 38 38 LYS CB C 38 33.710 31.338 2.372 1
1 391 . 13 1 1 A 40 40 GLY CA C 40 44.605 43.549 1.056 1
1 392 . 13 1 1 A 40 40 GLY HA2 H 40 4.130 4.351 -0.221 1
1 393 . 13 1 1 A 40 40 GLY HA3 H 40 4.130 4.351 -0.221 1
1 394 . 13 1 1 A 41 41 PRO CA C 41 63.289 63.565 -0.276 1
1 395 . 13 1 1 A 41 41 PRO HA H 41 4.468 4.549 -0.081 1
1 396 . 13 1 1 A 41 41 PRO CB C 41 32.206 31.877 0.329 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.484 45.448 0.036 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.025 3.931 0.094 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.025 3.931 0.094 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.529 174.394 0.135 1
1 5 . 14 1 1 A 8 8 THR N N 8 113.203 113.132 0.071 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.121 8.038 0.083 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.909 62.215 -0.306 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.352 4.309 0.043 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.714 68.837 0.877 1
1 15 . 14 1 1 A 8 8 THR C C 8 174.447 173.863 0.584 1
1 16 . 14 1 1 A 9 9 ASP N N 9 122.758 120.524 2.234 1
1 17 . 14 1 1 A 9 9 ASP H H 9 8.411 8.055 0.356 1
1 18 . 14 1 1 A 9 9 ASP CA C 9 54.415 55.519 -1.104 1
1 19 . 14 1 1 A 9 9 ASP HA H 9 4.660 4.676 -0.016 1
1 20 . 14 1 1 A 9 9 ASP CB C 9 41.177 42.373 -1.196 1
1 23 . 14 1 1 A 9 9 ASP C C 9 176.142 176.071 0.071 1
1 24 . 14 1 1 A 10 10 SER N N 10 116.278 114.307 1.971 1
1 25 . 14 1 1 A 10 10 SER H H 10 8.205 7.745 0.460 1
1 26 . 14 1 1 A 10 10 SER CA C 10 58.390 58.046 0.344 1
1 27 . 14 1 1 A 10 10 SER HA H 10 4.400 4.412 -0.012 1
1 28 . 14 1 1 A 10 10 SER CB C 10 63.777 64.155 -0.378 1
1 31 . 14 1 1 A 10 10 SER C C 10 174.207 173.994 0.213 1
1 32 . 14 1 1 A 11 11 LYS N N 11 123.340 121.769 1.571 1
1 33 . 14 1 1 A 11 11 LYS H H 11 8.288 8.950 -0.662 1
1 34 . 14 1 1 A 11 11 LYS CA C 11 55.992 54.369 1.623 1
1 35 . 14 1 1 A 11 11 LYS HA H 11 4.254 5.013 -0.759 1
1 36 . 14 1 1 A 11 11 LYS CB C 11 33.080 35.532 -2.452 1
1 48 . 14 1 1 A 11 11 LYS C C 11 175.464 175.264 0.200 1
1 49 . 14 1 1 A 12 12 SER N N 12 115.376 115.190 0.186 1
1 50 . 14 1 1 A 12 12 SER H H 12 7.783 8.629 -0.846 1
1 51 . 14 1 1 A 12 12 SER CA C 12 57.470 56.194 1.276 1
1 52 . 14 1 1 A 12 12 SER HA H 12 4.484 5.137 -0.653 1
1 53 . 14 1 1 A 12 12 SER CB C 12 64.666 65.943 -1.277 1
1 56 . 14 1 1 A 12 12 SER C C 12 172.585 172.719 -0.134 1
1 57 . 14 1 1 A 13 13 TYR N N 13 122.308 121.350 0.958 1
1 58 . 14 1 1 A 13 13 TYR H H 13 8.678 9.103 -0.425 1
1 59 . 14 1 1 A 13 13 TYR CA C 13 57.124 56.588 0.536 1
1 60 . 14 1 1 A 13 13 TYR HA H 13 4.644 5.203 -0.559 1
1 61 . 14 1 1 A 13 13 TYR CB C 13 39.856 39.983 -0.127 1
1 72 . 14 1 1 A 13 13 TYR C C 13 174.849 175.886 -1.037 1
1 73 . 14 1 1 A 14 14 ASN N N 14 121.239 121.161 0.078 1
1 74 . 14 1 1 A 14 14 ASN H H 14 8.692 9.121 -0.429 1
1 75 . 14 1 1 A 14 14 ASN CA C 14 52.525 51.535 0.990 1
1 76 . 14 1 1 A 14 14 ASN HA H 14 5.463 5.598 -0.135 1
1 77 . 14 1 1 A 14 14 ASN CB C 14 40.600 40.730 -0.130 1
1 83 . 14 1 1 A 14 14 ASN C C 14 174.400 174.215 0.185 1
1 84 . 14 1 1 A 15 15 CYS N N 15 124.052 120.935 3.117 1
1 85 . 14 1 1 A 15 15 CYS H H 15 9.215 8.858 0.357 1
1 86 . 14 1 1 A 15 15 CYS CA C 15 59.463 58.969 0.494 1
1 87 . 14 1 1 A 15 15 CYS HA H 15 4.541 4.822 -0.281 1
1 88 . 14 1 1 A 15 15 CYS CB C 15 29.688 28.800 0.888 1
1 91 . 14 1 1 A 15 15 CYS C C 15 177.069 175.919 1.150 1
1 92 . 14 1 1 A 16 16 ASN N N 16 130.116 126.620 3.496 1
1 93 . 14 1 1 A 16 16 ASN H H 16 9.386 9.069 0.317 1
1 94 . 14 1 1 A 16 16 ASN CA C 16 55.613 53.080 2.533 1
1 95 . 14 1 1 A 16 16 ASN HA H 16 4.515 4.990 -0.475 1
1 96 . 14 1 1 A 16 16 ASN CB C 16 38.236 39.157 -0.921 1
1 102 . 14 1 1 A 16 16 ASN C C 16 175.385 175.785 -0.400 1
1 103 . 14 1 1 A 17 17 GLU N N 17 120.832 117.976 2.856 1
1 104 . 14 1 1 A 17 17 GLU H H 17 8.687 8.019 0.668 1
1 105 . 14 1 1 A 17 17 GLU CA C 17 58.362 56.970 1.392 1
1 106 . 14 1 1 A 17 17 GLU HA H 17 4.224 4.488 -0.264 1
1 107 . 14 1 1 A 17 17 GLU CB C 17 29.626 32.006 -2.380 1
1 113 . 14 1 1 A 17 17 GLU C C 17 177.037 177.933 -0.896 1
1 114 . 14 1 1 A 18 18 CYS N N 18 114.739 115.197 -0.458 1
1 115 . 14 1 1 A 18 18 CYS H H 18 7.888 8.152 -0.264 1
1 116 . 14 1 1 A 18 18 CYS CA C 18 58.338 59.313 -0.975 1
1 117 . 14 1 1 A 18 18 CYS HA H 18 5.145 4.682 0.463 1
1 118 . 14 1 1 A 18 18 CYS CB C 18 32.372 30.201 2.171 1
1 121 . 14 1 1 A 18 18 CYS C C 18 176.190 175.454 0.736 1
1 122 . 14 1 1 A 19 19 GLY N N 19 113.385 110.260 3.125 1
1 123 . 14 1 1 A 19 19 GLY H H 19 8.188 8.076 0.112 1
1 124 . 14 1 1 A 19 19 GLY CA C 19 46.207 45.169 1.038 1
1 125 . 14 1 1 A 19 19 GLY HA2 H 19 3.890 4.042 -0.152 1
1 126 . 14 1 1 A 19 19 GLY HA3 H 19 4.212 4.047 0.165 1
1 127 . 14 1 1 A 19 19 GLY C C 19 174.091 174.278 -0.187 1
1 128 . 14 1 1 A 20 20 LYS N N 20 123.027 119.442 3.585 1
1 129 . 14 1 1 A 20 20 LYS H H 20 7.879 7.740 0.139 1
1 130 . 14 1 1 A 20 20 LYS CA C 20 58.200 55.244 2.956 1
1 131 . 14 1 1 A 20 20 LYS HA H 20 3.916 4.383 -0.467 1
1 132 . 14 1 1 A 20 20 LYS CB C 20 33.874 34.287 -0.413 1
1 144 . 14 1 1 A 20 20 LYS C C 20 173.619 175.111 -1.492 1
1 145 . 14 1 1 A 21 21 ALA N N 21 124.096 120.578 3.518 1
1 146 . 14 1 1 A 21 21 ALA H H 21 7.788 7.868 -0.080 1
1 147 . 14 1 1 A 21 21 ALA CA C 21 50.996 51.099 -0.103 1
1 148 . 14 1 1 A 21 21 ALA HA H 21 4.931 4.891 0.040 1
1 149 . 14 1 1 A 21 21 ALA CB C 21 21.943 21.294 0.649 1
1 153 . 14 1 1 A 21 21 ALA C C 21 176.797 175.294 1.503 1
1 154 . 14 1 1 A 22 22 PHE N N 22 117.342 120.147 -2.805 1
1 155 . 14 1 1 A 22 22 PHE H H 22 8.610 9.130 -0.520 1
1 156 . 14 1 1 A 22 22 PHE CA C 22 57.093 56.352 0.741 1
1 157 . 14 1 1 A 22 22 PHE HA H 22 4.858 5.094 -0.236 1
1 158 . 14 1 1 A 22 22 PHE CB C 22 43.718 42.149 1.569 1
1 171 . 14 1 1 A 22 22 PHE C C 22 175.933 176.051 -0.118 1
1 172 . 14 1 1 A 23 23 THR CA C 23 62.823 63.532 -0.709 1
1 173 . 14 1 1 A 23 23 THR HA H 23 4.685 4.384 0.301 1
1 174 . 14 1 1 A 23 23 THR CB C 23 69.904 69.133 0.771 1
1 180 . 14 1 1 A 23 23 THR C C 23 175.088 175.154 -0.066 1
1 181 . 14 1 1 A 24 24 ARG N N 24 116.983 121.627 -4.644 1
1 182 . 14 1 1 A 24 24 ARG H H 24 7.249 7.790 -0.541 1
1 183 . 14 1 1 A 24 24 ARG CA C 24 53.376 54.449 -1.073 1
1 184 . 14 1 1 A 24 24 ARG HA H 24 4.789 4.704 0.085 1
1 185 . 14 1 1 A 24 24 ARG CB C 24 33.354 31.638 1.716 1
1 194 . 14 1 1 A 24 24 ARG C C 24 177.127 176.459 0.668 1
1 195 . 14 1 1 A 25 25 ILE N N 25 126.047 124.238 1.809 1
1 196 . 14 1 1 A 25 25 ILE H H 25 8.578 8.551 0.027 1
1 197 . 14 1 1 A 25 25 ILE CA C 25 63.728 62.922 0.806 1
1 198 . 14 1 1 A 25 25 ILE HA H 25 3.203 3.786 -0.583 1
1 199 . 14 1 1 A 25 25 ILE CB C 25 37.142 38.755 -1.613 1
1 212 . 14 1 1 A 25 25 ILE C C 25 176.844 177.379 -0.535 1
1 213 . 14 1 1 A 26 26 PHE CA C 26 59.118 59.299 -0.181 1
1 214 . 14 1 1 A 26 26 PHE HA H 26 4.429 4.329 0.100 1
1 215 . 14 1 1 A 26 26 PHE CB C 26 38.494 37.294 1.200 1
1 224 . 14 1 1 A 26 26 PHE C C 26 177.609 177.120 0.489 1
1 225 . 14 1 1 A 27 27 HIS N N 27 117.282 117.118 0.164 1
1 226 . 14 1 1 A 27 27 HIS H H 27 6.564 7.058 -0.494 1
1 227 . 14 1 1 A 27 27 HIS CA C 27 57.363 59.226 -1.863 1
1 228 . 14 1 1 A 27 27 HIS HA H 27 4.358 4.161 0.197 1
1 229 . 14 1 1 A 27 27 HIS CB C 27 31.719 30.123 1.596 1
1 234 . 14 1 1 A 27 27 HIS C C 27 178.164 177.618 0.546 1
1 235 . 14 1 1 A 28 28 LEU N N 28 122.177 120.690 1.487 1
1 236 . 14 1 1 A 28 28 LEU H H 28 7.044 7.905 -0.861 1
1 237 . 14 1 1 A 28 28 LEU CA C 28 58.040 57.880 0.160 1
1 238 . 14 1 1 A 28 28 LEU HA H 28 3.196 3.158 0.038 1
1 239 . 14 1 1 A 28 28 LEU CB C 28 40.283 41.476 -1.193 1
1 252 . 14 1 1 A 28 28 LEU C C 28 177.790 178.408 -0.618 1
1 253 . 14 1 1 A 29 29 THR N N 29 114.476 115.717 -1.241 1
1 254 . 14 1 1 A 29 29 THR H H 29 8.616 7.647 0.969 1
1 255 . 14 1 1 A 29 29 THR CA C 29 66.015 66.947 -0.932 1
1 256 . 14 1 1 A 29 29 THR HA H 29 3.943 3.879 0.064 1
1 257 . 14 1 1 A 29 29 THR CB C 29 68.316 68.185 0.131 1
1 263 . 14 1 1 A 29 29 THR C C 29 177.269 176.379 0.890 1
1 264 . 14 1 1 A 30 30 ARG N N 30 120.519 120.803 -0.284 1
1 265 . 14 1 1 A 30 30 ARG H H 30 7.354 7.975 -0.621 1
1 266 . 14 1 1 A 30 30 ARG CA C 30 59.260 59.355 -0.095 1
1 267 . 14 1 1 A 30 30 ARG HA H 30 3.948 4.010 -0.062 1
1 268 . 14 1 1 A 30 30 ARG CB C 30 30.125 29.512 0.613 1
1 277 . 14 1 1 A 30 30 ARG C C 30 178.650 178.364 0.286 1
1 278 . 14 1 1 A 31 31 HIS N N 31 119.426 121.384 -1.958 1
1 279 . 14 1 1 A 31 31 HIS H H 31 7.522 7.621 -0.099 1
1 280 . 14 1 1 A 31 31 HIS CA C 31 59.079 59.282 -0.203 1
1 281 . 14 1 1 A 31 31 HIS HA H 31 4.191 4.158 0.033 1
1 282 . 14 1 1 A 31 31 HIS CB C 31 28.539 29.756 -1.217 1
1 289 . 14 1 1 A 31 31 HIS C C 31 176.154 176.939 -0.785 1
1 290 . 14 1 1 A 32 32 GLN N N 32 114.933 117.443 -2.510 1
1 291 . 14 1 1 A 32 32 GLN H H 32 8.342 8.274 0.068 1
1 292 . 14 1 1 A 32 32 GLN CA C 32 59.352 59.088 0.264 1
1 293 . 14 1 1 A 32 32 GLN HA H 32 3.629 3.794 -0.165 1
1 294 . 14 1 1 A 32 32 GLN CB C 32 28.360 28.392 -0.032 1
1 303 . 14 1 1 A 32 32 GLN C C 32 177.376 178.596 -1.220 1
1 304 . 14 1 1 A 33 33 LYS N N 33 117.471 119.374 -1.903 1
1 305 . 14 1 1 A 33 33 LYS H H 33 7.047 7.900 -0.853 1
1 306 . 14 1 1 A 33 33 LYS CA C 33 58.359 59.203 -0.844 1
1 307 . 14 1 1 A 33 33 LYS HA H 33 4.059 4.048 0.011 1
1 308 . 14 1 1 A 33 33 LYS CB C 33 32.214 32.550 -0.336 1
1 320 . 14 1 1 A 33 33 LYS C C 33 178.607 179.550 -0.943 1
1 321 . 14 1 1 A 34 34 ILE N N 34 115.534 116.097 -0.563 1
1 322 . 14 1 1 A 34 34 ILE H H 34 7.799 8.302 -0.503 1
1 323 . 14 1 1 A 34 34 ILE CA C 34 62.935 63.719 -0.784 1
1 324 . 14 1 1 A 34 34 ILE HA H 34 3.978 3.828 0.150 1
1 325 . 14 1 1 A 34 34 ILE CB C 34 37.719 37.360 0.359 1
1 338 . 14 1 1 A 34 34 ILE C C 34 177.151 176.327 0.824 1
1 339 . 14 1 1 A 35 35 HIS N N 35 117.940 120.887 -2.947 1
1 340 . 14 1 1 A 35 35 HIS H H 35 7.211 7.521 -0.310 1
1 341 . 14 1 1 A 35 35 HIS CA C 35 54.796 55.303 -0.507 1
1 342 . 14 1 1 A 35 35 HIS HA H 35 4.831 4.737 0.094 1
1 343 . 14 1 1 A 35 35 HIS CB C 35 28.553 28.602 -0.049 1
1 350 . 14 1 1 A 35 35 HIS C C 35 175.116 175.281 -0.165 1
1 351 . 14 1 1 A 36 36 THR N N 36 113.656 114.208 -0.552 1
1 352 . 14 1 1 A 36 36 THR H H 36 7.712 7.955 -0.243 1
1 353 . 14 1 1 A 36 36 THR CA C 36 62.445 60.903 1.542 1
1 354 . 14 1 1 A 36 36 THR HA H 36 4.288 4.633 -0.345 1
1 355 . 14 1 1 A 36 36 THR CB C 36 69.822 68.840 0.982 1
1 361 . 14 1 1 A 36 36 THR C C 36 174.481 173.779 0.702 1
1 362 . 14 1 1 A 37 37 ARG N N 37 123.945 122.399 1.546 1
1 363 . 14 1 1 A 37 37 ARG H H 37 8.264 7.599 0.665 1
1 364 . 14 1 1 A 37 37 ARG CA C 37 56.202 54.884 1.318 1
1 365 . 14 1 1 A 37 37 ARG HA H 37 4.357 4.534 -0.177 1
1 366 . 14 1 1 A 37 37 ARG CB C 37 30.808 29.734 1.074 1
1 375 . 14 1 1 A 38 38 LYS N N 38 128.503 124.118 4.385 1
1 376 . 14 1 1 A 38 38 LYS H H 38 8.048 8.336 -0.288 1
1 377 . 14 1 1 A 38 38 LYS CA C 38 57.651 56.204 1.447 1
1 378 . 14 1 1 A 38 38 LYS HA H 38 4.147 4.280 -0.133 1
1 379 . 14 1 1 A 38 38 LYS CB C 38 33.710 32.876 0.834 1
1 391 . 14 1 1 A 40 40 GLY CA C 40 44.605 46.809 -2.204 1
1 392 . 14 1 1 A 40 40 GLY HA2 H 40 4.130 3.926 0.204 1
1 393 . 14 1 1 A 40 40 GLY HA3 H 40 4.130 3.926 0.204 1
1 394 . 14 1 1 A 41 41 PRO CA C 41 63.289 62.862 0.427 1
1 395 . 14 1 1 A 41 41 PRO HA H 41 4.468 4.708 -0.240 1
1 396 . 14 1 1 A 41 41 PRO CB C 41 32.206 31.533 0.673 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.484 45.563 -0.079 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.025 4.022 0.003 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.025 4.025 0.000 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.529 175.862 -1.333 1
1 5 . 15 1 1 A 8 8 THR N N 8 113.203 115.339 -2.136 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.121 8.841 -0.720 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.909 65.941 -4.032 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.352 3.935 0.417 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.714 68.514 1.200 1
1 15 . 15 1 1 A 8 8 THR C C 8 174.447 176.287 -1.840 1
1 16 . 15 1 1 A 9 9 ASP N N 9 122.758 121.329 1.429 1
1 17 . 15 1 1 A 9 9 ASP H H 9 8.411 7.670 0.741 1
1 18 . 15 1 1 A 9 9 ASP CA C 9 54.415 55.928 -1.513 1
1 19 . 15 1 1 A 9 9 ASP HA H 9 4.660 4.705 -0.045 1
1 20 . 15 1 1 A 9 9 ASP CB C 9 41.177 41.746 -0.569 1
1 23 . 15 1 1 A 9 9 ASP C C 9 176.142 176.389 -0.247 1
1 24 . 15 1 1 A 10 10 SER N N 10 116.278 115.476 0.802 1
1 25 . 15 1 1 A 10 10 SER H H 10 8.205 7.778 0.427 1
1 26 . 15 1 1 A 10 10 SER CA C 10 58.390 60.413 -2.023 1
1 27 . 15 1 1 A 10 10 SER HA H 10 4.400 4.221 0.179 1
1 28 . 15 1 1 A 10 10 SER CB C 10 63.777 63.544 0.233 1
1 31 . 15 1 1 A 10 10 SER C C 10 174.207 174.238 -0.031 1
1 32 . 15 1 1 A 11 11 LYS N N 11 123.340 122.748 0.592 1
1 33 . 15 1 1 A 11 11 LYS H H 11 8.288 8.796 -0.508 1
1 34 . 15 1 1 A 11 11 LYS CA C 11 55.992 53.980 2.012 1
1 35 . 15 1 1 A 11 11 LYS HA H 11 4.254 5.150 -0.896 1
1 36 . 15 1 1 A 11 11 LYS CB C 11 33.080 37.111 -4.031 1
1 48 . 15 1 1 A 11 11 LYS C C 11 175.464 174.610 0.854 1
1 49 . 15 1 1 A 12 12 SER N N 12 115.376 113.176 2.200 1
1 50 . 15 1 1 A 12 12 SER H H 12 7.783 8.290 -0.507 1
1 51 . 15 1 1 A 12 12 SER CA C 12 57.470 57.298 0.172 1
1 52 . 15 1 1 A 12 12 SER HA H 12 4.484 4.795 -0.311 1
1 53 . 15 1 1 A 12 12 SER CB C 12 64.666 66.243 -1.577 1
1 56 . 15 1 1 A 12 12 SER C C 12 172.585 172.105 0.480 1
1 57 . 15 1 1 A 13 13 TYR N N 13 122.308 123.218 -0.910 1
1 58 . 15 1 1 A 13 13 TYR H H 13 8.678 8.645 0.033 1
1 59 . 15 1 1 A 13 13 TYR CA C 13 57.124 57.313 -0.189 1
1 60 . 15 1 1 A 13 13 TYR HA H 13 4.644 5.130 -0.486 1
1 61 . 15 1 1 A 13 13 TYR CB C 13 39.856 39.957 -0.101 1
1 72 . 15 1 1 A 13 13 TYR C C 13 174.849 175.837 -0.988 1
1 73 . 15 1 1 A 14 14 ASN N N 14 121.239 121.521 -0.282 1
1 74 . 15 1 1 A 14 14 ASN H H 14 8.692 9.150 -0.458 1
1 75 . 15 1 1 A 14 14 ASN CA C 14 52.525 51.850 0.675 1
1 76 . 15 1 1 A 14 14 ASN HA H 14 5.463 5.648 -0.185 1
1 77 . 15 1 1 A 14 14 ASN CB C 14 40.600 41.903 -1.303 1
1 83 . 15 1 1 A 14 14 ASN C C 14 174.400 174.781 -0.381 1
1 84 . 15 1 1 A 15 15 CYS N N 15 124.052 123.465 0.587 1
1 85 . 15 1 1 A 15 15 CYS H H 15 9.215 8.926 0.289 1
1 86 . 15 1 1 A 15 15 CYS CA C 15 59.463 59.866 -0.403 1
1 87 . 15 1 1 A 15 15 CYS HA H 15 4.541 4.661 -0.120 1
1 88 . 15 1 1 A 15 15 CYS CB C 15 29.688 28.837 0.851 1
1 91 . 15 1 1 A 15 15 CYS C C 15 177.069 175.771 1.298 1
1 92 . 15 1 1 A 16 16 ASN N N 16 130.116 126.382 3.734 1
1 93 . 15 1 1 A 16 16 ASN H H 16 9.386 9.027 0.359 1
1 94 . 15 1 1 A 16 16 ASN CA C 16 55.613 56.425 -0.812 1
1 95 . 15 1 1 A 16 16 ASN HA H 16 4.515 4.406 0.109 1
1 96 . 15 1 1 A 16 16 ASN CB C 16 38.236 38.317 -0.081 1
1 102 . 15 1 1 A 16 16 ASN C C 16 175.385 177.724 -2.339 1
1 103 . 15 1 1 A 17 17 GLU N N 17 120.832 118.898 1.934 1
1 104 . 15 1 1 A 17 17 GLU H H 17 8.687 8.294 0.393 1
1 105 . 15 1 1 A 17 17 GLU CA C 17 58.362 59.548 -1.186 1
1 106 . 15 1 1 A 17 17 GLU HA H 17 4.224 3.875 0.349 1
1 107 . 15 1 1 A 17 17 GLU CB C 17 29.626 28.816 0.810 1
1 113 . 15 1 1 A 17 17 GLU C C 17 177.037 177.901 -0.864 1
1 114 . 15 1 1 A 18 18 CYS N N 18 114.739 114.643 0.096 1
1 115 . 15 1 1 A 18 18 CYS H H 18 7.888 7.805 0.083 1
1 116 . 15 1 1 A 18 18 CYS CA C 18 58.338 59.541 -1.203 1
1 117 . 15 1 1 A 18 18 CYS HA H 18 5.145 4.596 0.549 1
1 118 . 15 1 1 A 18 18 CYS CB C 18 32.372 29.861 2.511 1
1 121 . 15 1 1 A 18 18 CYS C C 18 176.190 175.531 0.659 1
1 122 . 15 1 1 A 19 19 GLY N N 19 113.385 110.436 2.949 1
1 123 . 15 1 1 A 19 19 GLY H H 19 8.188 8.327 -0.139 1
1 124 . 15 1 1 A 19 19 GLY CA C 19 46.207 45.436 0.771 1
1 125 . 15 1 1 A 19 19 GLY HA2 H 19 3.890 3.996 -0.106 1
1 126 . 15 1 1 A 19 19 GLY HA3 H 19 4.212 4.008 0.204 1
1 127 . 15 1 1 A 19 19 GLY C C 19 174.091 174.427 -0.336 1
1 128 . 15 1 1 A 20 20 LYS N N 20 123.027 121.327 1.700 1
1 129 . 15 1 1 A 20 20 LYS H H 20 7.879 7.591 0.288 1
1 130 . 15 1 1 A 20 20 LYS CA C 20 58.200 55.406 2.794 1
1 131 . 15 1 1 A 20 20 LYS HA H 20 3.916 4.497 -0.581 1
1 132 . 15 1 1 A 20 20 LYS CB C 20 33.874 33.905 -0.031 1
1 144 . 15 1 1 A 20 20 LYS C C 20 173.619 175.121 -1.502 1
1 145 . 15 1 1 A 21 21 ALA N N 21 124.096 124.813 -0.717 1
1 146 . 15 1 1 A 21 21 ALA H H 21 7.788 8.097 -0.309 1
1 147 . 15 1 1 A 21 21 ALA CA C 21 50.996 50.770 0.226 1
1 148 . 15 1 1 A 21 21 ALA HA H 21 4.931 5.216 -0.285 1
1 149 . 15 1 1 A 21 21 ALA CB C 21 21.943 21.441 0.502 1
1 153 . 15 1 1 A 21 21 ALA C C 21 176.797 175.397 1.400 1
1 154 . 15 1 1 A 22 22 PHE N N 22 117.342 120.533 -3.191 1
1 155 . 15 1 1 A 22 22 PHE H H 22 8.610 9.292 -0.682 1
1 156 . 15 1 1 A 22 22 PHE CA C 22 57.093 55.896 1.197 1
1 157 . 15 1 1 A 22 22 PHE HA H 22 4.858 5.078 -0.220 1
1 158 . 15 1 1 A 22 22 PHE CB C 22 43.718 41.903 1.815 1
1 171 . 15 1 1 A 22 22 PHE C C 22 175.933 175.888 0.045 1
1 172 . 15 1 1 A 23 23 THR CA C 23 62.823 63.604 -0.781 1
1 173 . 15 1 1 A 23 23 THR HA H 23 4.685 4.415 0.270 1
1 174 . 15 1 1 A 23 23 THR CB C 23 69.904 69.741 0.163 1
1 180 . 15 1 1 A 23 23 THR C C 23 175.088 174.603 0.485 1
1 181 . 15 1 1 A 24 24 ARG N N 24 116.983 120.191 -3.208 1
1 182 . 15 1 1 A 24 24 ARG H H 24 7.249 7.748 -0.499 1
1 183 . 15 1 1 A 24 24 ARG CA C 24 53.376 54.390 -1.014 1
1 184 . 15 1 1 A 24 24 ARG HA H 24 4.789 4.507 0.282 1
1 185 . 15 1 1 A 24 24 ARG CB C 24 33.354 31.241 2.113 1
1 194 . 15 1 1 A 24 24 ARG C C 24 177.127 176.671 0.456 1
1 195 . 15 1 1 A 25 25 ILE N N 25 126.047 124.380 1.667 1
1 196 . 15 1 1 A 25 25 ILE H H 25 8.578 8.111 0.467 1
1 197 . 15 1 1 A 25 25 ILE CA C 25 63.728 63.102 0.626 1
1 198 . 15 1 1 A 25 25 ILE HA H 25 3.203 3.931 -0.728 1
1 199 . 15 1 1 A 25 25 ILE CB C 25 37.142 38.959 -1.817 1
1 212 . 15 1 1 A 25 25 ILE C C 25 176.844 177.438 -0.594 1
1 213 . 15 1 1 A 26 26 PHE CA C 26 59.118 59.404 -0.286 1
1 214 . 15 1 1 A 26 26 PHE HA H 26 4.429 4.365 0.064 1
1 215 . 15 1 1 A 26 26 PHE CB C 26 38.494 37.943 0.551 1
1 224 . 15 1 1 A 26 26 PHE C C 26 177.609 177.347 0.262 1
1 225 . 15 1 1 A 27 27 HIS N N 27 117.282 120.939 -3.657 1
1 226 . 15 1 1 A 27 27 HIS H H 27 6.564 7.737 -1.173 1
1 227 . 15 1 1 A 27 27 HIS CA C 27 57.363 59.611 -2.248 1
1 228 . 15 1 1 A 27 27 HIS HA H 27 4.358 4.170 0.188 1
1 229 . 15 1 1 A 27 27 HIS CB C 27 31.719 29.604 2.115 1
1 234 . 15 1 1 A 27 27 HIS C C 27 178.164 176.993 1.171 1
1 235 . 15 1 1 A 28 28 LEU N N 28 122.177 120.014 2.163 1
1 236 . 15 1 1 A 28 28 LEU H H 28 7.044 7.878 -0.834 1
1 237 . 15 1 1 A 28 28 LEU CA C 28 58.040 57.423 0.617 1
1 238 . 15 1 1 A 28 28 LEU HA H 28 3.196 3.056 0.140 1
1 239 . 15 1 1 A 28 28 LEU CB C 28 40.283 41.737 -1.454 1
1 252 . 15 1 1 A 28 28 LEU C C 28 177.790 178.444 -0.654 1
1 253 . 15 1 1 A 29 29 THR N N 29 114.476 114.525 -0.049 1
1 254 . 15 1 1 A 29 29 THR H H 29 8.616 7.517 1.099 1
1 255 . 15 1 1 A 29 29 THR CA C 29 66.015 66.529 -0.514 1
1 256 . 15 1 1 A 29 29 THR HA H 29 3.943 3.859 0.084 1
1 257 . 15 1 1 A 29 29 THR CB C 29 68.316 68.343 -0.027 1
1 263 . 15 1 1 A 29 29 THR C C 29 177.269 176.444 0.825 1
1 264 . 15 1 1 A 30 30 ARG N N 30 120.519 119.935 0.584 1
1 265 . 15 1 1 A 30 30 ARG H H 30 7.354 8.425 -1.071 1
1 266 . 15 1 1 A 30 30 ARG CA C 30 59.260 57.639 1.621 1
1 267 . 15 1 1 A 30 30 ARG HA H 30 3.948 4.159 -0.211 1
1 268 . 15 1 1 A 30 30 ARG CB C 30 30.125 29.631 0.494 1
1 277 . 15 1 1 A 30 30 ARG C C 30 178.650 177.323 1.327 1
1 278 . 15 1 1 A 31 31 HIS N N 31 119.426 118.494 0.932 1
1 279 . 15 1 1 A 31 31 HIS H H 31 7.522 8.163 -0.641 1
1 280 . 15 1 1 A 31 31 HIS CA C 31 59.079 58.451 0.628 1
1 281 . 15 1 1 A 31 31 HIS HA H 31 4.191 4.487 -0.296 1
1 282 . 15 1 1 A 31 31 HIS CB C 31 28.539 31.074 -2.535 1
1 289 . 15 1 1 A 31 31 HIS C C 31 176.154 177.026 -0.872 1
1 290 . 15 1 1 A 32 32 GLN N N 32 114.933 118.201 -3.268 1
1 291 . 15 1 1 A 32 32 GLN H H 32 8.342 8.727 -0.385 1
1 292 . 15 1 1 A 32 32 GLN CA C 32 59.352 58.903 0.449 1
1 293 . 15 1 1 A 32 32 GLN HA H 32 3.629 3.885 -0.256 1
1 294 . 15 1 1 A 32 32 GLN CB C 32 28.360 28.145 0.215 1
1 303 . 15 1 1 A 32 32 GLN C C 32 177.376 177.503 -0.127 1
1 304 . 15 1 1 A 33 33 LYS N N 33 117.471 116.620 0.851 1
1 305 . 15 1 1 A 33 33 LYS H H 33 7.047 8.064 -1.017 1
1 306 . 15 1 1 A 33 33 LYS CA C 33 58.359 57.600 0.759 1
1 307 . 15 1 1 A 33 33 LYS HA H 33 4.059 4.122 -0.063 1
1 308 . 15 1 1 A 33 33 LYS CB C 33 32.214 31.653 0.561 1
1 320 . 15 1 1 A 33 33 LYS C C 33 178.607 177.289 1.318 1
1 321 . 15 1 1 A 34 34 ILE N N 34 115.534 115.602 -0.068 1
1 322 . 15 1 1 A 34 34 ILE H H 34 7.799 7.567 0.232 1
1 323 . 15 1 1 A 34 34 ILE CA C 34 62.935 60.762 2.173 1
1 324 . 15 1 1 A 34 34 ILE HA H 34 3.978 4.345 -0.367 1
1 325 . 15 1 1 A 34 34 ILE CB C 34 37.719 38.934 -1.215 1
1 338 . 15 1 1 A 34 34 ILE C C 34 177.151 175.364 1.787 1
1 339 . 15 1 1 A 35 35 HIS N N 35 117.940 121.211 -3.271 1
1 340 . 15 1 1 A 35 35 HIS H H 35 7.211 7.277 -0.066 1
1 341 . 15 1 1 A 35 35 HIS CA C 35 54.796 54.462 0.334 1
1 342 . 15 1 1 A 35 35 HIS HA H 35 4.831 4.613 0.218 1
1 343 . 15 1 1 A 35 35 HIS CB C 35 28.553 27.593 0.960 1
1 350 . 15 1 1 A 35 35 HIS C C 35 175.116 173.697 1.419 1
1 351 . 15 1 1 A 36 36 THR N N 36 113.656 112.399 1.257 1
1 352 . 15 1 1 A 36 36 THR H H 36 7.712 8.311 -0.599 1
1 353 . 15 1 1 A 36 36 THR CA C 36 62.445 59.840 2.605 1
1 354 . 15 1 1 A 36 36 THR HA H 36 4.288 5.288 -1.000 1
1 355 . 15 1 1 A 36 36 THR CB C 36 69.822 71.019 -1.197 1
1 361 . 15 1 1 A 36 36 THR C C 36 174.481 173.331 1.150 1
1 362 . 15 1 1 A 37 37 ARG N N 37 123.945 123.235 0.710 1
1 363 . 15 1 1 A 37 37 ARG H H 37 8.264 8.511 -0.247 1
1 364 . 15 1 1 A 37 37 ARG CA C 37 56.202 54.113 2.089 1
1 365 . 15 1 1 A 37 37 ARG HA H 37 4.357 4.913 -0.556 1
1 366 . 15 1 1 A 37 37 ARG CB C 37 30.808 33.584 -2.776 1
1 375 . 15 1 1 A 38 38 LYS N N 38 128.503 124.813 3.690 1
1 376 . 15 1 1 A 38 38 LYS H H 38 8.048 8.983 -0.935 1
1 377 . 15 1 1 A 38 38 LYS CA C 38 57.651 57.985 -0.334 1
1 378 . 15 1 1 A 38 38 LYS HA H 38 4.147 4.357 -0.210 1
1 379 . 15 1 1 A 38 38 LYS CB C 38 33.710 33.117 0.593 1
1 391 . 15 1 1 A 40 40 GLY CA C 40 44.605 45.542 -0.937 1
1 392 . 15 1 1 A 40 40 GLY HA2 H 40 4.130 4.182 -0.052 1
1 393 . 15 1 1 A 40 40 GLY HA3 H 40 4.130 4.182 -0.052 1
1 394 . 15 1 1 A 41 41 PRO CA C 41 63.289 65.112 -1.823 1
1 395 . 15 1 1 A 41 41 PRO HA H 41 4.468 4.307 0.161 1
1 396 . 15 1 1 A 41 41 PRO CB C 41 32.206 32.115 0.091 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.484 45.651 -0.167 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.025 3.929 0.096 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.025 3.929 0.096 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.529 172.978 1.551 1
1 5 . 16 1 1 A 8 8 THR N N 8 113.203 118.190 -4.987 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.121 8.655 -0.534 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.909 61.864 0.045 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.352 4.974 -0.622 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.714 70.251 -0.537 1
1 15 . 16 1 1 A 8 8 THR C C 8 174.447 172.579 1.868 1
1 16 . 16 1 1 A 9 9 ASP N N 9 122.758 127.617 -4.859 1
1 17 . 16 1 1 A 9 9 ASP H H 9 8.411 8.934 -0.523 1
1 18 . 16 1 1 A 9 9 ASP CA C 9 54.415 52.734 1.681 1
1 19 . 16 1 1 A 9 9 ASP HA H 9 4.660 5.219 -0.559 1
1 20 . 16 1 1 A 9 9 ASP CB C 9 41.177 42.597 -1.420 1
1 23 . 16 1 1 A 9 9 ASP C C 9 176.142 174.600 1.542 1
1 24 . 16 1 1 A 10 10 SER N N 10 116.278 120.226 -3.948 1
1 25 . 16 1 1 A 10 10 SER H H 10 8.205 8.844 -0.639 1
1 26 . 16 1 1 A 10 10 SER CA C 10 58.390 56.850 1.540 1
1 27 . 16 1 1 A 10 10 SER HA H 10 4.400 4.920 -0.520 1
1 28 . 16 1 1 A 10 10 SER CB C 10 63.777 66.238 -2.461 1
1 31 . 16 1 1 A 10 10 SER C C 10 174.207 172.853 1.354 1
1 32 . 16 1 1 A 11 11 LYS N N 11 123.340 123.012 0.328 1
1 33 . 16 1 1 A 11 11 LYS H H 11 8.288 8.358 -0.070 1
1 34 . 16 1 1 A 11 11 LYS CA C 11 55.992 56.293 -0.301 1
1 35 . 16 1 1 A 11 11 LYS HA H 11 4.254 4.089 0.165 1
1 36 . 16 1 1 A 11 11 LYS CB C 11 33.080 32.849 0.231 1
1 48 . 16 1 1 A 11 11 LYS C C 11 175.464 176.438 -0.974 1
1 49 . 16 1 1 A 12 12 SER N N 12 115.376 116.359 -0.983 1
1 50 . 16 1 1 A 12 12 SER H H 12 7.783 8.614 -0.831 1
1 51 . 16 1 1 A 12 12 SER CA C 12 57.470 57.631 -0.161 1
1 52 . 16 1 1 A 12 12 SER HA H 12 4.484 4.809 -0.325 1
1 53 . 16 1 1 A 12 12 SER CB C 12 64.666 65.857 -1.191 1
1 56 . 16 1 1 A 12 12 SER C C 12 172.585 172.209 0.376 1
1 57 . 16 1 1 A 13 13 TYR N N 13 122.308 125.237 -2.929 1
1 58 . 16 1 1 A 13 13 TYR H H 13 8.678 8.742 -0.064 1
1 59 . 16 1 1 A 13 13 TYR CA C 13 57.124 57.083 0.041 1
1 60 . 16 1 1 A 13 13 TYR HA H 13 4.644 5.192 -0.548 1
1 61 . 16 1 1 A 13 13 TYR CB C 13 39.856 39.396 0.460 1
1 72 . 16 1 1 A 13 13 TYR C C 13 174.849 175.474 -0.625 1
1 73 . 16 1 1 A 14 14 ASN N N 14 121.239 122.551 -1.312 1
1 74 . 16 1 1 A 14 14 ASN H H 14 8.692 9.162 -0.470 1
1 75 . 16 1 1 A 14 14 ASN CA C 14 52.525 51.850 0.675 1
1 76 . 16 1 1 A 14 14 ASN HA H 14 5.463 5.539 -0.076 1
1 77 . 16 1 1 A 14 14 ASN CB C 14 40.600 41.994 -1.394 1
1 83 . 16 1 1 A 14 14 ASN C C 14 174.400 174.596 -0.196 1
1 84 . 16 1 1 A 15 15 CYS N N 15 124.052 122.628 1.424 1
1 85 . 16 1 1 A 15 15 CYS H H 15 9.215 8.997 0.218 1
1 86 . 16 1 1 A 15 15 CYS CA C 15 59.463 58.158 1.305 1
1 87 . 16 1 1 A 15 15 CYS HA H 15 4.541 4.715 -0.174 1
1 88 . 16 1 1 A 15 15 CYS CB C 15 29.688 26.955 2.733 1
1 91 . 16 1 1 A 15 15 CYS C C 15 177.069 175.560 1.509 1
1 92 . 16 1 1 A 16 16 ASN N N 16 130.116 124.903 5.213 1
1 93 . 16 1 1 A 16 16 ASN H H 16 9.386 8.401 0.985 1
1 94 . 16 1 1 A 16 16 ASN CA C 16 55.613 55.728 -0.115 1
1 95 . 16 1 1 A 16 16 ASN HA H 16 4.515 4.437 0.078 1
1 96 . 16 1 1 A 16 16 ASN CB C 16 38.236 37.401 0.835 1
1 102 . 16 1 1 A 16 16 ASN C C 16 175.385 177.656 -2.271 1
1 103 . 16 1 1 A 17 17 GLU N N 17 120.832 120.262 0.570 1
1 104 . 16 1 1 A 17 17 GLU H H 17 8.687 8.460 0.227 1
1 105 . 16 1 1 A 17 17 GLU CA C 17 58.362 59.242 -0.880 1
1 106 . 16 1 1 A 17 17 GLU HA H 17 4.224 3.979 0.245 1
1 107 . 16 1 1 A 17 17 GLU CB C 17 29.626 29.234 0.392 1
1 113 . 16 1 1 A 17 17 GLU C C 17 177.037 177.943 -0.906 1
1 114 . 16 1 1 A 18 18 CYS N N 18 114.739 115.369 -0.630 1
1 115 . 16 1 1 A 18 18 CYS H H 18 7.888 8.092 -0.204 1
1 116 . 16 1 1 A 18 18 CYS CA C 18 58.338 59.657 -1.319 1
1 117 . 16 1 1 A 18 18 CYS HA H 18 5.145 4.641 0.504 1
1 118 . 16 1 1 A 18 18 CYS CB C 18 32.372 29.964 2.408 1
1 121 . 16 1 1 A 18 18 CYS C C 18 176.190 175.358 0.832 1
1 122 . 16 1 1 A 19 19 GLY N N 19 113.385 110.141 3.244 1
1 123 . 16 1 1 A 19 19 GLY H H 19 8.188 8.714 -0.526 1
1 124 . 16 1 1 A 19 19 GLY CA C 19 46.207 45.475 0.732 1
1 125 . 16 1 1 A 19 19 GLY HA2 H 19 3.890 4.051 -0.161 1
1 126 . 16 1 1 A 19 19 GLY HA3 H 19 4.212 4.057 0.155 1
1 127 . 16 1 1 A 19 19 GLY C C 19 174.091 173.938 0.153 1
1 128 . 16 1 1 A 20 20 LYS N N 20 123.027 120.162 2.865 1
1 129 . 16 1 1 A 20 20 LYS H H 20 7.879 7.654 0.225 1
1 130 . 16 1 1 A 20 20 LYS CA C 20 58.200 54.754 3.446 1
1 131 . 16 1 1 A 20 20 LYS HA H 20 3.916 4.615 -0.699 1
1 132 . 16 1 1 A 20 20 LYS CB C 20 33.874 35.001 -1.127 1
1 144 . 16 1 1 A 20 20 LYS C C 20 173.619 174.668 -1.049 1
1 145 . 16 1 1 A 21 21 ALA N N 21 124.096 128.582 -4.486 1
1 146 . 16 1 1 A 21 21 ALA H H 21 7.788 8.742 -0.954 1
1 147 . 16 1 1 A 21 21 ALA CA C 21 50.996 50.050 0.946 1
1 148 . 16 1 1 A 21 21 ALA HA H 21 4.931 5.565 -0.634 1
1 149 . 16 1 1 A 21 21 ALA CB C 21 21.943 20.494 1.449 1
1 153 . 16 1 1 A 21 21 ALA C C 21 176.797 175.775 1.022 1
1 154 . 16 1 1 A 22 22 PHE N N 22 117.342 121.376 -4.034 1
1 155 . 16 1 1 A 22 22 PHE H H 22 8.610 9.432 -0.822 1
1 156 . 16 1 1 A 22 22 PHE CA C 22 57.093 56.414 0.679 1
1 157 . 16 1 1 A 22 22 PHE HA H 22 4.858 4.814 0.044 1
1 158 . 16 1 1 A 22 22 PHE CB C 22 43.718 41.187 2.531 1
1 171 . 16 1 1 A 22 22 PHE C C 22 175.933 176.360 -0.427 1
1 172 . 16 1 1 A 23 23 THR CA C 23 62.823 65.871 -3.048 1
1 173 . 16 1 1 A 23 23 THR HA H 23 4.685 4.082 0.603 1
1 174 . 16 1 1 A 23 23 THR CB C 23 69.904 68.659 1.245 1
1 180 . 16 1 1 A 23 23 THR C C 23 175.088 175.515 -0.427 1
1 181 . 16 1 1 A 24 24 ARG N N 24 116.983 120.578 -3.595 1
1 182 . 16 1 1 A 24 24 ARG H H 24 7.249 7.885 -0.636 1
1 183 . 16 1 1 A 24 24 ARG CA C 24 53.376 54.240 -0.864 1
1 184 . 16 1 1 A 24 24 ARG HA H 24 4.789 4.718 0.071 1
1 185 . 16 1 1 A 24 24 ARG CB C 24 33.354 31.835 1.519 1
1 194 . 16 1 1 A 24 24 ARG C C 24 177.127 176.660 0.467 1
1 195 . 16 1 1 A 25 25 ILE N N 25 126.047 124.494 1.553 1
1 196 . 16 1 1 A 25 25 ILE H H 25 8.578 8.464 0.114 1
1 197 . 16 1 1 A 25 25 ILE CA C 25 63.728 62.939 0.789 1
1 198 . 16 1 1 A 25 25 ILE HA H 25 3.203 3.337 -0.134 1
1 199 . 16 1 1 A 25 25 ILE CB C 25 37.142 38.472 -1.330 1
1 212 . 16 1 1 A 25 25 ILE C C 25 176.844 177.395 -0.551 1
1 213 . 16 1 1 A 26 26 PHE CA C 26 59.118 60.255 -1.137 1
1 214 . 16 1 1 A 26 26 PHE HA H 26 4.429 4.214 0.215 1
1 215 . 16 1 1 A 26 26 PHE CB C 26 38.494 37.623 0.871 1
1 224 . 16 1 1 A 26 26 PHE C C 26 177.609 177.107 0.502 1
1 225 . 16 1 1 A 27 27 HIS N N 27 117.282 119.759 -2.477 1
1 226 . 16 1 1 A 27 27 HIS H H 27 6.564 6.924 -0.360 1
1 227 . 16 1 1 A 27 27 HIS CA C 27 57.363 59.406 -2.043 1
1 228 . 16 1 1 A 27 27 HIS HA H 27 4.358 4.037 0.321 1
1 229 . 16 1 1 A 27 27 HIS CB C 27 31.719 29.115 2.604 1
1 234 . 16 1 1 A 27 27 HIS C C 27 178.164 176.140 2.024 1
1 235 . 16 1 1 A 28 28 LEU N N 28 122.177 120.182 1.995 1
1 236 . 16 1 1 A 28 28 LEU H H 28 7.044 7.467 -0.423 1
1 237 . 16 1 1 A 28 28 LEU CA C 28 58.040 57.429 0.611 1
1 238 . 16 1 1 A 28 28 LEU HA H 28 3.196 2.945 0.251 1
1 239 . 16 1 1 A 28 28 LEU CB C 28 40.283 41.562 -1.279 1
1 252 . 16 1 1 A 28 28 LEU C C 28 177.790 178.219 -0.429 1
1 253 . 16 1 1 A 29 29 THR N N 29 114.476 114.340 0.136 1
1 254 . 16 1 1 A 29 29 THR H H 29 8.616 7.781 0.835 1
1 255 . 16 1 1 A 29 29 THR CA C 29 66.015 66.959 -0.944 1
1 256 . 16 1 1 A 29 29 THR HA H 29 3.943 3.840 0.103 1
1 257 . 16 1 1 A 29 29 THR CB C 29 68.316 68.348 -0.032 1
1 263 . 16 1 1 A 29 29 THR C C 29 177.269 177.203 0.066 1
1 264 . 16 1 1 A 30 30 ARG N N 30 120.519 120.012 0.507 1
1 265 . 16 1 1 A 30 30 ARG H H 30 7.354 8.496 -1.142 1
1 266 . 16 1 1 A 30 30 ARG CA C 30 59.260 58.172 1.088 1
1 267 . 16 1 1 A 30 30 ARG HA H 30 3.948 4.090 -0.142 1
1 268 . 16 1 1 A 30 30 ARG CB C 30 30.125 29.359 0.766 1
1 277 . 16 1 1 A 30 30 ARG C C 30 178.650 178.303 0.347 1
1 278 . 16 1 1 A 31 31 HIS N N 31 119.426 120.209 -0.783 1
1 279 . 16 1 1 A 31 31 HIS H H 31 7.522 7.708 -0.186 1
1 280 . 16 1 1 A 31 31 HIS CA C 31 59.079 58.998 0.081 1
1 281 . 16 1 1 A 31 31 HIS HA H 31 4.191 4.112 0.079 1
1 282 . 16 1 1 A 31 31 HIS CB C 31 28.539 29.806 -1.267 1
1 289 . 16 1 1 A 31 31 HIS C C 31 176.154 176.899 -0.745 1
1 290 . 16 1 1 A 32 32 GLN N N 32 114.933 117.177 -2.244 1
1 291 . 16 1 1 A 32 32 GLN H H 32 8.342 8.389 -0.047 1
1 292 . 16 1 1 A 32 32 GLN CA C 32 59.352 59.023 0.329 1
1 293 . 16 1 1 A 32 32 GLN HA H 32 3.629 3.727 -0.098 1
1 294 . 16 1 1 A 32 32 GLN CB C 32 28.360 28.261 0.099 1
1 303 . 16 1 1 A 32 32 GLN C C 32 177.376 178.406 -1.030 1
1 304 . 16 1 1 A 33 33 LYS N N 33 117.471 119.925 -2.454 1
1 305 . 16 1 1 A 33 33 LYS H H 33 7.047 7.976 -0.929 1
1 306 . 16 1 1 A 33 33 LYS CA C 33 58.359 58.998 -0.639 1
1 307 . 16 1 1 A 33 33 LYS HA H 33 4.059 3.934 0.125 1
1 308 . 16 1 1 A 33 33 LYS CB C 33 32.214 32.344 -0.130 1
1 320 . 16 1 1 A 33 33 LYS C C 33 178.607 179.253 -0.646 1
1 321 . 16 1 1 A 34 34 ILE N N 34 115.534 116.709 -1.175 1
1 322 . 16 1 1 A 34 34 ILE H H 34 7.799 8.161 -0.362 1
1 323 . 16 1 1 A 34 34 ILE CA C 34 62.935 63.721 -0.786 1
1 324 . 16 1 1 A 34 34 ILE HA H 34 3.978 3.842 0.136 1
1 325 . 16 1 1 A 34 34 ILE CB C 34 37.719 37.222 0.497 1
1 338 . 16 1 1 A 34 34 ILE C C 34 177.151 176.367 0.784 1
1 339 . 16 1 1 A 35 35 HIS N N 35 117.940 120.741 -2.801 1
1 340 . 16 1 1 A 35 35 HIS H H 35 7.211 7.800 -0.589 1
1 341 . 16 1 1 A 35 35 HIS CA C 35 54.796 54.893 -0.097 1
1 342 . 16 1 1 A 35 35 HIS HA H 35 4.831 4.690 0.141 1
1 343 . 16 1 1 A 35 35 HIS CB C 35 28.553 28.099 0.454 1
1 350 . 16 1 1 A 35 35 HIS C C 35 175.116 175.201 -0.085 1
1 351 . 16 1 1 A 36 36 THR N N 36 113.656 114.883 -1.227 1
1 352 . 16 1 1 A 36 36 THR H H 36 7.712 8.578 -0.866 1
1 353 . 16 1 1 A 36 36 THR CA C 36 62.445 62.315 0.130 1
1 354 . 16 1 1 A 36 36 THR HA H 36 4.288 4.482 -0.194 1
1 355 . 16 1 1 A 36 36 THR CB C 36 69.822 69.985 -0.163 1
1 361 . 16 1 1 A 36 36 THR C C 36 174.481 175.364 -0.883 1
1 362 . 16 1 1 A 37 37 ARG N N 37 123.945 120.095 3.850 1
1 363 . 16 1 1 A 37 37 ARG H H 37 8.264 7.646 0.618 1
1 364 . 16 1 1 A 37 37 ARG CA C 37 56.202 54.754 1.448 1
1 365 . 16 1 1 A 37 37 ARG HA H 37 4.357 4.840 -0.483 1
1 366 . 16 1 1 A 37 37 ARG CB C 37 30.808 34.996 -4.188 1
1 375 . 16 1 1 A 38 38 LYS N N 38 128.503 118.550 9.953 1
1 376 . 16 1 1 A 38 38 LYS H H 38 8.048 8.518 -0.470 1
1 377 . 16 1 1 A 38 38 LYS CA C 38 57.651 55.719 1.932 1
1 378 . 16 1 1 A 38 38 LYS HA H 38 4.147 4.646 -0.499 1
1 379 . 16 1 1 A 38 38 LYS CB C 38 33.710 32.057 1.653 1
1 391 . 16 1 1 A 40 40 GLY CA C 40 44.605 44.565 0.040 1
1 392 . 16 1 1 A 40 40 GLY HA2 H 40 4.130 4.078 0.052 1
1 393 . 16 1 1 A 40 40 GLY HA3 H 40 4.130 4.080 0.050 1
1 394 . 16 1 1 A 41 41 PRO CA C 41 63.289 63.464 -0.175 1
1 395 . 16 1 1 A 41 41 PRO HA H 41 4.468 4.502 -0.034 1
1 396 . 16 1 1 A 41 41 PRO CB C 41 32.206 32.007 0.199 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.484 44.720 0.764 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.025 4.183 -0.158 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.025 4.184 -0.159 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.529 172.932 1.597 1
1 5 . 17 1 1 A 8 8 THR N N 8 113.203 114.273 -1.070 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.121 8.629 -0.508 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.909 60.389 1.520 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.352 4.971 -0.619 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.714 70.122 -0.408 1
1 15 . 17 1 1 A 8 8 THR C C 8 174.447 174.250 0.197 1
1 16 . 17 1 1 A 9 9 ASP N N 9 122.758 125.774 -3.016 1
1 17 . 17 1 1 A 9 9 ASP H H 9 8.411 8.859 -0.448 1
1 18 . 17 1 1 A 9 9 ASP CA C 9 54.415 56.391 -1.976 1
1 19 . 17 1 1 A 9 9 ASP HA H 9 4.660 4.538 0.122 1
1 20 . 17 1 1 A 9 9 ASP CB C 9 41.177 41.575 -0.398 1
1 23 . 17 1 1 A 9 9 ASP C C 9 176.142 176.317 -0.175 1
1 24 . 17 1 1 A 10 10 SER N N 10 116.278 109.500 6.778 1
1 25 . 17 1 1 A 10 10 SER H H 10 8.205 7.818 0.387 1
1 26 . 17 1 1 A 10 10 SER CA C 10 58.390 56.181 2.209 1
1 27 . 17 1 1 A 10 10 SER HA H 10 4.400 4.752 -0.352 1
1 28 . 17 1 1 A 10 10 SER CB C 10 63.777 63.696 0.081 1
1 31 . 17 1 1 A 10 10 SER C C 10 174.207 173.536 0.671 1
1 32 . 17 1 1 A 11 11 LYS N N 11 123.340 124.180 -0.840 1
1 33 . 17 1 1 A 11 11 LYS H H 11 8.288 8.407 -0.119 1
1 34 . 17 1 1 A 11 11 LYS CA C 11 55.992 55.971 0.021 1
1 35 . 17 1 1 A 11 11 LYS HA H 11 4.254 4.138 0.116 1
1 36 . 17 1 1 A 11 11 LYS CB C 11 33.080 32.712 0.368 1
1 48 . 17 1 1 A 11 11 LYS C C 11 175.464 176.103 -0.639 1
1 49 . 17 1 1 A 12 12 SER N N 12 115.376 111.257 4.119 1
1 50 . 17 1 1 A 12 12 SER H H 12 7.783 8.428 -0.645 1
1 51 . 17 1 1 A 12 12 SER CA C 12 57.470 56.174 1.296 1
1 52 . 17 1 1 A 12 12 SER HA H 12 4.484 5.012 -0.528 1
1 53 . 17 1 1 A 12 12 SER CB C 12 64.666 65.869 -1.203 1
1 56 . 17 1 1 A 12 12 SER C C 12 172.585 172.070 0.515 1
1 57 . 17 1 1 A 13 13 TYR N N 13 122.308 122.553 -0.245 1
1 58 . 17 1 1 A 13 13 TYR H H 13 8.678 8.723 -0.045 1
1 59 . 17 1 1 A 13 13 TYR CA C 13 57.124 56.819 0.305 1
1 60 . 17 1 1 A 13 13 TYR HA H 13 4.644 5.258 -0.614 1
1 61 . 17 1 1 A 13 13 TYR CB C 13 39.856 39.596 0.260 1
1 72 . 17 1 1 A 13 13 TYR C C 13 174.849 175.705 -0.856 1
1 73 . 17 1 1 A 14 14 ASN N N 14 121.239 119.573 1.666 1
1 74 . 17 1 1 A 14 14 ASN H H 14 8.692 9.223 -0.531 1
1 75 . 17 1 1 A 14 14 ASN CA C 14 52.525 51.316 1.209 1
1 76 . 17 1 1 A 14 14 ASN HA H 14 5.463 5.599 -0.136 1
1 77 . 17 1 1 A 14 14 ASN CB C 14 40.600 42.497 -1.897 1
1 83 . 17 1 1 A 14 14 ASN C C 14 174.400 173.376 1.024 1
1 84 . 17 1 1 A 15 15 CYS N N 15 124.052 121.520 2.532 1
1 85 . 17 1 1 A 15 15 CYS H H 15 9.215 9.460 -0.245 1
1 86 . 17 1 1 A 15 15 CYS CA C 15 59.463 59.473 -0.010 1
1 87 . 17 1 1 A 15 15 CYS HA H 15 4.541 4.713 -0.172 1
1 88 . 17 1 1 A 15 15 CYS CB C 15 29.688 28.843 0.845 1
1 91 . 17 1 1 A 15 15 CYS C C 15 177.069 176.529 0.540 1
1 92 . 17 1 1 A 16 16 ASN N N 16 130.116 124.435 5.681 1
1 93 . 17 1 1 A 16 16 ASN H H 16 9.386 8.691 0.695 1
1 94 . 17 1 1 A 16 16 ASN CA C 16 55.613 54.618 0.995 1
1 95 . 17 1 1 A 16 16 ASN HA H 16 4.515 4.718 -0.203 1
1 96 . 17 1 1 A 16 16 ASN CB C 16 38.236 39.141 -0.905 1
1 102 . 17 1 1 A 16 16 ASN C C 16 175.385 176.898 -1.513 1
1 103 . 17 1 1 A 17 17 GLU N N 17 120.832 119.076 1.756 1
1 104 . 17 1 1 A 17 17 GLU H H 17 8.687 8.275 0.412 1
1 105 . 17 1 1 A 17 17 GLU CA C 17 58.362 59.426 -1.064 1
1 106 . 17 1 1 A 17 17 GLU HA H 17 4.224 3.965 0.259 1
1 107 . 17 1 1 A 17 17 GLU CB C 17 29.626 29.255 0.371 1
1 113 . 17 1 1 A 17 17 GLU C C 17 177.037 178.145 -1.108 1
1 114 . 17 1 1 A 18 18 CYS N N 18 114.739 114.905 -0.166 1
1 115 . 17 1 1 A 18 18 CYS H H 18 7.888 7.919 -0.031 1
1 116 . 17 1 1 A 18 18 CYS CA C 18 58.338 59.625 -1.287 1
1 117 . 17 1 1 A 18 18 CYS HA H 18 5.145 4.601 0.544 1
1 118 . 17 1 1 A 18 18 CYS CB C 18 32.372 29.588 2.784 1
1 121 . 17 1 1 A 18 18 CYS C C 18 176.190 175.452 0.738 1
1 122 . 17 1 1 A 19 19 GLY N N 19 113.385 109.652 3.733 1
1 123 . 17 1 1 A 19 19 GLY H H 19 8.188 8.545 -0.357 1
1 124 . 17 1 1 A 19 19 GLY CA C 19 46.207 46.295 -0.088 1
1 125 . 17 1 1 A 19 19 GLY HA2 H 19 3.890 3.974 -0.084 1
1 126 . 17 1 1 A 19 19 GLY HA3 H 19 4.212 3.982 0.230 1
1 127 . 17 1 1 A 19 19 GLY C C 19 174.091 173.771 0.320 1
1 128 . 17 1 1 A 20 20 LYS N N 20 123.027 120.746 2.281 1
1 129 . 17 1 1 A 20 20 LYS H H 20 7.879 7.485 0.394 1
1 130 . 17 1 1 A 20 20 LYS CA C 20 58.200 55.011 3.189 1
1 131 . 17 1 1 A 20 20 LYS HA H 20 3.916 4.601 -0.685 1
1 132 . 17 1 1 A 20 20 LYS CB C 20 33.874 35.881 -2.007 1
1 144 . 17 1 1 A 20 20 LYS C C 20 173.619 174.373 -0.754 1
1 145 . 17 1 1 A 21 21 ALA N N 21 124.096 128.455 -4.359 1
1 146 . 17 1 1 A 21 21 ALA H H 21 7.788 8.545 -0.757 1
1 147 . 17 1 1 A 21 21 ALA CA C 21 50.996 51.631 -0.635 1
1 148 . 17 1 1 A 21 21 ALA HA H 21 4.931 4.636 0.295 1
1 149 . 17 1 1 A 21 21 ALA CB C 21 21.943 20.180 1.763 1
1 153 . 17 1 1 A 21 21 ALA C C 21 176.797 176.612 0.185 1
1 154 . 17 1 1 A 22 22 PHE N N 22 117.342 117.905 -0.563 1
1 155 . 17 1 1 A 22 22 PHE H H 22 8.610 8.873 -0.263 1
1 156 . 17 1 1 A 22 22 PHE CA C 22 57.093 56.937 0.156 1
1 157 . 17 1 1 A 22 22 PHE HA H 22 4.858 4.798 0.060 1
1 158 . 17 1 1 A 22 22 PHE CB C 22 43.718 42.270 1.448 1
1 171 . 17 1 1 A 22 22 PHE C C 22 175.933 175.881 0.052 1
1 172 . 17 1 1 A 23 23 THR CA C 23 62.823 65.144 -2.321 1
1 173 . 17 1 1 A 23 23 THR HA H 23 4.685 4.194 0.491 1
1 174 . 17 1 1 A 23 23 THR CB C 23 69.904 68.864 1.040 1
1 180 . 17 1 1 A 23 23 THR C C 23 175.088 175.474 -0.386 1
1 181 . 17 1 1 A 24 24 ARG N N 24 116.983 121.534 -4.551 1
1 182 . 17 1 1 A 24 24 ARG H H 24 7.249 7.848 -0.599 1
1 183 . 17 1 1 A 24 24 ARG CA C 24 53.376 55.011 -1.635 1
1 184 . 17 1 1 A 24 24 ARG HA H 24 4.789 4.627 0.162 1
1 185 . 17 1 1 A 24 24 ARG CB C 24 33.354 31.098 2.256 1
1 194 . 17 1 1 A 24 24 ARG C C 24 177.127 176.715 0.412 1
1 195 . 17 1 1 A 25 25 ILE N N 25 126.047 124.370 1.677 1
1 196 . 17 1 1 A 25 25 ILE H H 25 8.578 8.792 -0.214 1
1 197 . 17 1 1 A 25 25 ILE CA C 25 63.728 63.600 0.128 1
1 198 . 17 1 1 A 25 25 ILE HA H 25 3.203 3.627 -0.424 1
1 199 . 17 1 1 A 25 25 ILE CB C 25 37.142 38.143 -1.001 1
1 212 . 17 1 1 A 25 25 ILE C C 25 176.844 177.562 -0.718 1
1 213 . 17 1 1 A 26 26 PHE CA C 26 59.118 60.242 -1.124 1
1 214 . 17 1 1 A 26 26 PHE HA H 26 4.429 4.221 0.208 1
1 215 . 17 1 1 A 26 26 PHE CB C 26 38.494 37.511 0.983 1
1 224 . 17 1 1 A 26 26 PHE C C 26 177.609 177.981 -0.372 1
1 225 . 17 1 1 A 27 27 HIS N N 27 117.282 118.363 -1.081 1
1 226 . 17 1 1 A 27 27 HIS H H 27 6.564 6.916 -0.352 1
1 227 . 17 1 1 A 27 27 HIS CA C 27 57.363 58.900 -1.537 1
1 228 . 17 1 1 A 27 27 HIS HA H 27 4.358 3.837 0.521 1
1 229 . 17 1 1 A 27 27 HIS CB C 27 31.719 29.241 2.478 1
1 234 . 17 1 1 A 27 27 HIS C C 27 178.164 177.379 0.785 1
1 235 . 17 1 1 A 28 28 LEU N N 28 122.177 120.125 2.052 1
1 236 . 17 1 1 A 28 28 LEU H H 28 7.044 7.736 -0.692 1
1 237 . 17 1 1 A 28 28 LEU CA C 28 58.040 57.681 0.359 1
1 238 . 17 1 1 A 28 28 LEU HA H 28 3.196 3.073 0.123 1
1 239 . 17 1 1 A 28 28 LEU CB C 28 40.283 41.555 -1.272 1
1 252 . 17 1 1 A 28 28 LEU C C 28 177.790 178.371 -0.581 1
1 253 . 17 1 1 A 29 29 THR N N 29 114.476 114.942 -0.466 1
1 254 . 17 1 1 A 29 29 THR H H 29 8.616 7.733 0.883 1
1 255 . 17 1 1 A 29 29 THR CA C 29 66.015 66.923 -0.908 1
1 256 . 17 1 1 A 29 29 THR HA H 29 3.943 3.854 0.089 1
1 257 . 17 1 1 A 29 29 THR CB C 29 68.316 68.475 -0.159 1
1 263 . 17 1 1 A 29 29 THR C C 29 177.269 176.895 0.374 1
1 264 . 17 1 1 A 30 30 ARG N N 30 120.519 120.058 0.461 1
1 265 . 17 1 1 A 30 30 ARG H H 30 7.354 8.234 -0.880 1
1 266 . 17 1 1 A 30 30 ARG CA C 30 59.260 58.795 0.465 1
1 267 . 17 1 1 A 30 30 ARG HA H 30 3.948 4.071 -0.123 1
1 268 . 17 1 1 A 30 30 ARG CB C 30 30.125 30.004 0.121 1
1 277 . 17 1 1 A 30 30 ARG C C 30 178.650 178.350 0.300 1
1 278 . 17 1 1 A 31 31 HIS N N 31 119.426 120.157 -0.731 1
1 279 . 17 1 1 A 31 31 HIS H H 31 7.522 7.837 -0.315 1
1 280 . 17 1 1 A 31 31 HIS CA C 31 59.079 59.859 -0.780 1
1 281 . 17 1 1 A 31 31 HIS HA H 31 4.191 4.152 0.039 1
1 282 . 17 1 1 A 31 31 HIS CB C 31 28.539 29.813 -1.274 1
1 289 . 17 1 1 A 31 31 HIS C C 31 176.154 176.599 -0.445 1
1 290 . 17 1 1 A 32 32 GLN N N 32 114.933 116.684 -1.751 1
1 291 . 17 1 1 A 32 32 GLN H H 32 8.342 8.113 0.229 1
1 292 . 17 1 1 A 32 32 GLN CA C 32 59.352 58.923 0.429 1
1 293 . 17 1 1 A 32 32 GLN HA H 32 3.629 3.441 0.188 1
1 294 . 17 1 1 A 32 32 GLN CB C 32 28.360 28.279 0.081 1
1 303 . 17 1 1 A 32 32 GLN C C 32 177.376 178.315 -0.939 1
1 304 . 17 1 1 A 33 33 LYS N N 33 117.471 119.581 -2.110 1
1 305 . 17 1 1 A 33 33 LYS H H 33 7.047 8.105 -1.058 1
1 306 . 17 1 1 A 33 33 LYS CA C 33 58.359 59.069 -0.710 1
1 307 . 17 1 1 A 33 33 LYS HA H 33 4.059 3.904 0.155 1
1 308 . 17 1 1 A 33 33 LYS CB C 33 32.214 32.225 -0.011 1
1 320 . 17 1 1 A 33 33 LYS C C 33 178.607 179.046 -0.439 1
1 321 . 17 1 1 A 34 34 ILE N N 34 115.534 117.188 -1.654 1
1 322 . 17 1 1 A 34 34 ILE H H 34 7.799 7.891 -0.092 1
1 323 . 17 1 1 A 34 34 ILE CA C 34 62.935 63.874 -0.939 1
1 324 . 17 1 1 A 34 34 ILE HA H 34 3.978 3.769 0.209 1
1 325 . 17 1 1 A 34 34 ILE CB C 34 37.719 37.293 0.426 1
1 338 . 17 1 1 A 34 34 ILE C C 34 177.151 177.586 -0.435 1
1 339 . 17 1 1 A 35 35 HIS N N 35 117.940 119.463 -1.523 1
1 340 . 17 1 1 A 35 35 HIS H H 35 7.211 7.767 -0.556 1
1 341 . 17 1 1 A 35 35 HIS CA C 35 54.796 59.160 -4.364 1
1 342 . 17 1 1 A 35 35 HIS HA H 35 4.831 4.379 0.452 1
1 343 . 17 1 1 A 35 35 HIS CB C 35 28.553 30.243 -1.690 1
1 350 . 17 1 1 A 35 35 HIS C C 35 175.116 175.820 -0.704 1
1 351 . 17 1 1 A 36 36 THR N N 36 113.656 112.452 1.204 1
1 352 . 17 1 1 A 36 36 THR H H 36 7.712 7.238 0.474 1
1 353 . 17 1 1 A 36 36 THR CA C 36 62.445 62.710 -0.265 1
1 354 . 17 1 1 A 36 36 THR HA H 36 4.288 4.252 0.036 1
1 355 . 17 1 1 A 36 36 THR CB C 36 69.822 69.979 -0.157 1
1 361 . 17 1 1 A 36 36 THR C C 36 174.481 174.920 -0.439 1
1 362 . 17 1 1 A 37 37 ARG N N 37 123.945 125.840 -1.895 1
1 363 . 17 1 1 A 37 37 ARG H H 37 8.264 8.915 -0.651 1
1 364 . 17 1 1 A 37 37 ARG CA C 37 56.202 55.755 0.447 1
1 365 . 17 1 1 A 37 37 ARG HA H 37 4.357 4.386 -0.029 1
1 366 . 17 1 1 A 37 37 ARG CB C 37 30.808 31.302 -0.494 1
1 375 . 17 1 1 A 38 38 LYS N N 38 128.503 121.626 6.877 1
1 376 . 17 1 1 A 38 38 LYS H H 38 8.048 8.816 -0.768 1
1 377 . 17 1 1 A 38 38 LYS CA C 38 57.651 57.185 0.466 1
1 378 . 17 1 1 A 38 38 LYS HA H 38 4.147 4.481 -0.334 1
1 379 . 17 1 1 A 38 38 LYS CB C 38 33.710 33.795 -0.085 1
1 391 . 17 1 1 A 40 40 GLY CA C 40 44.605 45.929 -1.324 1
1 392 . 17 1 1 A 40 40 GLY HA2 H 40 4.130 4.112 0.018 1
1 393 . 17 1 1 A 40 40 GLY HA3 H 40 4.130 4.113 0.017 1
1 394 . 17 1 1 A 41 41 PRO CA C 41 63.289 62.573 0.716 1
1 395 . 17 1 1 A 41 41 PRO HA H 41 4.468 4.521 -0.053 1
1 396 . 17 1 1 A 41 41 PRO CB C 41 32.206 32.559 -0.353 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.484 45.347 0.137 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.025 4.043 -0.018 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.025 4.044 -0.019 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.529 174.157 0.372 1
1 5 . 18 1 1 A 8 8 THR N N 8 113.203 113.961 -0.758 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.121 8.185 -0.064 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.909 60.230 1.679 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.352 4.888 -0.536 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.714 71.214 -1.500 1
1 15 . 18 1 1 A 8 8 THR C C 8 174.447 173.826 0.621 1
1 16 . 18 1 1 A 9 9 ASP N N 9 122.758 124.171 -1.413 1
1 17 . 18 1 1 A 9 9 ASP H H 9 8.411 8.905 -0.494 1
1 18 . 18 1 1 A 9 9 ASP CA C 9 54.415 56.089 -1.674 1
1 19 . 18 1 1 A 9 9 ASP HA H 9 4.660 4.594 0.066 1
1 20 . 18 1 1 A 9 9 ASP CB C 9 41.177 41.638 -0.461 1
1 23 . 18 1 1 A 9 9 ASP C C 9 176.142 176.060 0.082 1
1 24 . 18 1 1 A 10 10 SER N N 10 116.278 110.051 6.227 1
1 25 . 18 1 1 A 10 10 SER H H 10 8.205 7.864 0.341 1
1 26 . 18 1 1 A 10 10 SER CA C 10 58.390 56.713 1.677 1
1 27 . 18 1 1 A 10 10 SER HA H 10 4.400 4.790 -0.390 1
1 28 . 18 1 1 A 10 10 SER CB C 10 63.777 65.319 -1.542 1
1 31 . 18 1 1 A 10 10 SER C C 10 174.207 173.625 0.582 1
1 32 . 18 1 1 A 11 11 LYS N N 11 123.340 124.355 -1.015 1
1 33 . 18 1 1 A 11 11 LYS H H 11 8.288 8.410 -0.122 1
1 34 . 18 1 1 A 11 11 LYS CA C 11 55.992 56.555 -0.563 1
1 35 . 18 1 1 A 11 11 LYS HA H 11 4.254 4.072 0.182 1
1 36 . 18 1 1 A 11 11 LYS CB C 11 33.080 32.551 0.529 1
1 48 . 18 1 1 A 11 11 LYS C C 11 175.464 176.306 -0.842 1
1 49 . 18 1 1 A 12 12 SER N N 12 115.376 116.417 -1.041 1
1 50 . 18 1 1 A 12 12 SER H H 12 7.783 8.609 -0.826 1
1 51 . 18 1 1 A 12 12 SER CA C 12 57.470 56.955 0.515 1
1 52 . 18 1 1 A 12 12 SER HA H 12 4.484 4.708 -0.224 1
1 53 . 18 1 1 A 12 12 SER CB C 12 64.666 66.265 -1.599 1
1 56 . 18 1 1 A 12 12 SER C C 12 172.585 172.244 0.341 1
1 57 . 18 1 1 A 13 13 TYR N N 13 122.308 123.199 -0.891 1
1 58 . 18 1 1 A 13 13 TYR H H 13 8.678 8.579 0.099 1
1 59 . 18 1 1 A 13 13 TYR CA C 13 57.124 57.419 -0.295 1
1 60 . 18 1 1 A 13 13 TYR HA H 13 4.644 5.068 -0.424 1
1 61 . 18 1 1 A 13 13 TYR CB C 13 39.856 39.982 -0.126 1
1 72 . 18 1 1 A 13 13 TYR C C 13 174.849 175.623 -0.774 1
1 73 . 18 1 1 A 14 14 ASN N N 14 121.239 120.405 0.834 1
1 74 . 18 1 1 A 14 14 ASN H H 14 8.692 8.948 -0.256 1
1 75 . 18 1 1 A 14 14 ASN CA C 14 52.525 52.236 0.289 1
1 76 . 18 1 1 A 14 14 ASN HA H 14 5.463 5.890 -0.427 1
1 77 . 18 1 1 A 14 14 ASN CB C 14 40.600 43.237 -2.637 1
1 83 . 18 1 1 A 14 14 ASN C C 14 174.400 173.923 0.477 1
1 84 . 18 1 1 A 15 15 CYS N N 15 124.052 122.358 1.694 1
1 85 . 18 1 1 A 15 15 CYS H H 15 9.215 9.375 -0.160 1
1 86 . 18 1 1 A 15 15 CYS CA C 15 59.463 58.643 0.820 1
1 87 . 18 1 1 A 15 15 CYS HA H 15 4.541 4.582 -0.041 1
1 88 . 18 1 1 A 15 15 CYS CB C 15 29.688 27.996 1.692 1
1 91 . 18 1 1 A 15 15 CYS C C 15 177.069 176.058 1.011 1
1 92 . 18 1 1 A 16 16 ASN N N 16 130.116 126.039 4.077 1
1 93 . 18 1 1 A 16 16 ASN H H 16 9.386 9.028 0.358 1
1 94 . 18 1 1 A 16 16 ASN CA C 16 55.613 55.359 0.254 1
1 95 . 18 1 1 A 16 16 ASN HA H 16 4.515 4.582 -0.067 1
1 96 . 18 1 1 A 16 16 ASN CB C 16 38.236 37.354 0.882 1
1 102 . 18 1 1 A 16 16 ASN C C 16 175.385 177.377 -1.992 1
1 103 . 18 1 1 A 17 17 GLU N N 17 120.832 120.056 0.776 1
1 104 . 18 1 1 A 17 17 GLU H H 17 8.687 8.361 0.326 1
1 105 . 18 1 1 A 17 17 GLU CA C 17 58.362 59.286 -0.924 1
1 106 . 18 1 1 A 17 17 GLU HA H 17 4.224 4.038 0.186 1
1 107 . 18 1 1 A 17 17 GLU CB C 17 29.626 29.551 0.075 1
1 113 . 18 1 1 A 17 17 GLU C C 17 177.037 178.437 -1.400 1
1 114 . 18 1 1 A 18 18 CYS N N 18 114.739 115.342 -0.603 1
1 115 . 18 1 1 A 18 18 CYS H H 18 7.888 7.275 0.613 1
1 116 . 18 1 1 A 18 18 CYS CA C 18 58.338 59.916 -1.578 1
1 117 . 18 1 1 A 18 18 CYS HA H 18 5.145 4.453 0.692 1
1 118 . 18 1 1 A 18 18 CYS CB C 18 32.372 29.312 3.060 1
1 121 . 18 1 1 A 18 18 CYS C C 18 176.190 175.322 0.868 1
1 122 . 18 1 1 A 19 19 GLY N N 19 113.385 109.975 3.410 1
1 123 . 18 1 1 A 19 19 GLY H H 19 8.188 8.132 0.056 1
1 124 . 18 1 1 A 19 19 GLY CA C 19 46.207 46.204 0.003 1
1 125 . 18 1 1 A 19 19 GLY HA2 H 19 3.890 4.046 -0.156 1
1 126 . 18 1 1 A 19 19 GLY HA3 H 19 4.212 4.064 0.148 1
1 127 . 18 1 1 A 19 19 GLY C C 19 174.091 174.110 -0.019 1
1 128 . 18 1 1 A 20 20 LYS N N 20 123.027 119.234 3.793 1
1 129 . 18 1 1 A 20 20 LYS H H 20 7.879 7.504 0.375 1
1 130 . 18 1 1 A 20 20 LYS CA C 20 58.200 54.194 4.006 1
1 131 . 18 1 1 A 20 20 LYS HA H 20 3.916 4.878 -0.962 1
1 132 . 18 1 1 A 20 20 LYS CB C 20 33.874 36.035 -2.161 1
1 144 . 18 1 1 A 20 20 LYS C C 20 173.619 175.137 -1.518 1
1 145 . 18 1 1 A 21 21 ALA N N 21 124.096 122.071 2.025 1
1 146 . 18 1 1 A 21 21 ALA H H 21 7.788 8.858 -1.070 1
1 147 . 18 1 1 A 21 21 ALA CA C 21 50.996 50.613 0.383 1
1 148 . 18 1 1 A 21 21 ALA HA H 21 4.931 5.401 -0.470 1
1 149 . 18 1 1 A 21 21 ALA CB C 21 21.943 21.614 0.329 1
1 153 . 18 1 1 A 21 21 ALA C C 21 176.797 175.846 0.951 1
1 154 . 18 1 1 A 22 22 PHE N N 22 117.342 120.373 -3.031 1
1 155 . 18 1 1 A 22 22 PHE H H 22 8.610 9.649 -1.039 1
1 156 . 18 1 1 A 22 22 PHE CA C 22 57.093 56.252 0.841 1
1 157 . 18 1 1 A 22 22 PHE HA H 22 4.858 5.056 -0.198 1
1 158 . 18 1 1 A 22 22 PHE CB C 22 43.718 42.060 1.658 1
1 171 . 18 1 1 A 22 22 PHE C C 22 175.933 176.006 -0.073 1
1 172 . 18 1 1 A 23 23 THR CA C 23 62.823 64.944 -2.121 1
1 173 . 18 1 1 A 23 23 THR HA H 23 4.685 4.409 0.276 1
1 174 . 18 1 1 A 23 23 THR CB C 23 69.904 69.308 0.596 1
1 180 . 18 1 1 A 23 23 THR C C 23 175.088 175.093 -0.005 1
1 181 . 18 1 1 A 24 24 ARG N N 24 116.983 119.124 -2.141 1
1 182 . 18 1 1 A 24 24 ARG H H 24 7.249 7.883 -0.634 1
1 183 . 18 1 1 A 24 24 ARG CA C 24 53.376 54.134 -0.758 1
1 184 . 18 1 1 A 24 24 ARG HA H 24 4.789 4.666 0.123 1
1 185 . 18 1 1 A 24 24 ARG CB C 24 33.354 31.347 2.007 1
1 194 . 18 1 1 A 24 24 ARG C C 24 177.127 176.674 0.453 1
1 195 . 18 1 1 A 25 25 ILE N N 25 126.047 124.085 1.962 1
1 196 . 18 1 1 A 25 25 ILE H H 25 8.578 8.232 0.346 1
1 197 . 18 1 1 A 25 25 ILE CA C 25 63.728 62.769 0.959 1
1 198 . 18 1 1 A 25 25 ILE HA H 25 3.203 3.036 0.167 1
1 199 . 18 1 1 A 25 25 ILE CB C 25 37.142 38.080 -0.938 1
1 212 . 18 1 1 A 25 25 ILE C C 25 176.844 177.289 -0.445 1
1 213 . 18 1 1 A 26 26 PHE CA C 26 59.118 59.599 -0.481 1
1 214 . 18 1 1 A 26 26 PHE HA H 26 4.429 4.250 0.179 1
1 215 . 18 1 1 A 26 26 PHE CB C 26 38.494 37.783 0.711 1
1 224 . 18 1 1 A 26 26 PHE C C 26 177.609 177.322 0.287 1
1 225 . 18 1 1 A 27 27 HIS N N 27 117.282 117.733 -0.451 1
1 226 . 18 1 1 A 27 27 HIS H H 27 6.564 7.364 -0.800 1
1 227 . 18 1 1 A 27 27 HIS CA C 27 57.363 58.859 -1.496 1
1 228 . 18 1 1 A 27 27 HIS HA H 27 4.358 4.541 -0.183 1
1 229 . 18 1 1 A 27 27 HIS CB C 27 31.719 28.975 2.744 1
1 234 . 18 1 1 A 27 27 HIS C C 27 178.164 177.587 0.577 1
1 235 . 18 1 1 A 28 28 LEU N N 28 122.177 121.713 0.464 1
1 236 . 18 1 1 A 28 28 LEU H H 28 7.044 7.775 -0.731 1
1 237 . 18 1 1 A 28 28 LEU CA C 28 58.040 57.078 0.962 1
1 238 . 18 1 1 A 28 28 LEU HA H 28 3.196 2.951 0.245 1
1 239 . 18 1 1 A 28 28 LEU CB C 28 40.283 41.562 -1.279 1
1 252 . 18 1 1 A 28 28 LEU C C 28 177.790 177.990 -0.200 1
1 253 . 18 1 1 A 29 29 THR N N 29 114.476 114.122 0.354 1
1 254 . 18 1 1 A 29 29 THR H H 29 8.616 7.617 0.999 1
1 255 . 18 1 1 A 29 29 THR CA C 29 66.015 65.610 0.405 1
1 256 . 18 1 1 A 29 29 THR HA H 29 3.943 3.751 0.192 1
1 257 . 18 1 1 A 29 29 THR CB C 29 68.316 68.976 -0.660 1
1 263 . 18 1 1 A 29 29 THR C C 29 177.269 176.666 0.603 1
1 264 . 18 1 1 A 30 30 ARG N N 30 120.519 120.260 0.259 1
1 265 . 18 1 1 A 30 30 ARG H H 30 7.354 8.292 -0.938 1
1 266 . 18 1 1 A 30 30 ARG CA C 30 59.260 58.588 0.672 1
1 267 . 18 1 1 A 30 30 ARG HA H 30 3.948 4.174 -0.226 1
1 268 . 18 1 1 A 30 30 ARG CB C 30 30.125 29.478 0.647 1
1 277 . 18 1 1 A 30 30 ARG C C 30 178.650 178.175 0.475 1
1 278 . 18 1 1 A 31 31 HIS N N 31 119.426 120.214 -0.788 1
1 279 . 18 1 1 A 31 31 HIS H H 31 7.522 8.238 -0.716 1
1 280 . 18 1 1 A 31 31 HIS CA C 31 59.079 58.828 0.251 1
1 281 . 18 1 1 A 31 31 HIS HA H 31 4.191 4.228 -0.037 1
1 282 . 18 1 1 A 31 31 HIS CB C 31 28.539 30.210 -1.671 1
1 289 . 18 1 1 A 31 31 HIS C C 31 176.154 177.052 -0.898 1
1 290 . 18 1 1 A 32 32 GLN N N 32 114.933 117.276 -2.343 1
1 291 . 18 1 1 A 32 32 GLN H H 32 8.342 8.190 0.152 1
1 292 . 18 1 1 A 32 32 GLN CA C 32 59.352 59.076 0.276 1
1 293 . 18 1 1 A 32 32 GLN HA H 32 3.629 3.592 0.037 1
1 294 . 18 1 1 A 32 32 GLN CB C 32 28.360 28.332 0.028 1
1 303 . 18 1 1 A 32 32 GLN C C 32 177.376 178.297 -0.921 1
1 304 . 18 1 1 A 33 33 LYS N N 33 117.471 119.760 -2.289 1
1 305 . 18 1 1 A 33 33 LYS H H 33 7.047 7.944 -0.897 1
1 306 . 18 1 1 A 33 33 LYS CA C 33 58.359 58.976 -0.617 1
1 307 . 18 1 1 A 33 33 LYS HA H 33 4.059 3.913 0.146 1
1 308 . 18 1 1 A 33 33 LYS CB C 33 32.214 32.269 -0.055 1
1 320 . 18 1 1 A 33 33 LYS C C 33 178.607 179.234 -0.627 1
1 321 . 18 1 1 A 34 34 ILE N N 34 115.534 116.731 -1.197 1
1 322 . 18 1 1 A 34 34 ILE H H 34 7.799 7.976 -0.177 1
1 323 . 18 1 1 A 34 34 ILE CA C 34 62.935 63.679 -0.744 1
1 324 . 18 1 1 A 34 34 ILE HA H 34 3.978 3.862 0.116 1
1 325 . 18 1 1 A 34 34 ILE CB C 34 37.719 37.354 0.365 1
1 338 . 18 1 1 A 34 34 ILE C C 34 177.151 176.344 0.807 1
1 339 . 18 1 1 A 35 35 HIS N N 35 117.940 121.030 -3.090 1
1 340 . 18 1 1 A 35 35 HIS H H 35 7.211 7.694 -0.483 1
1 341 . 18 1 1 A 35 35 HIS CA C 35 54.796 55.333 -0.537 1
1 342 . 18 1 1 A 35 35 HIS HA H 35 4.831 4.693 0.138 1
1 343 . 18 1 1 A 35 35 HIS CB C 35 28.553 28.641 -0.088 1
1 350 . 18 1 1 A 35 35 HIS C C 35 175.116 175.264 -0.148 1
1 351 . 18 1 1 A 36 36 THR N N 36 113.656 114.695 -1.039 1
1 352 . 18 1 1 A 36 36 THR H H 36 7.712 8.321 -0.609 1
1 353 . 18 1 1 A 36 36 THR CA C 36 62.445 61.533 0.912 1
1 354 . 18 1 1 A 36 36 THR HA H 36 4.288 4.556 -0.268 1
1 355 . 18 1 1 A 36 36 THR CB C 36 69.822 70.550 -0.728 1
1 361 . 18 1 1 A 36 36 THR C C 36 174.481 173.852 0.629 1
1 362 . 18 1 1 A 37 37 ARG N N 37 123.945 122.229 1.716 1
1 363 . 18 1 1 A 37 37 ARG H H 37 8.264 7.656 0.608 1
1 364 . 18 1 1 A 37 37 ARG CA C 37 56.202 54.251 1.951 1
1 365 . 18 1 1 A 37 37 ARG HA H 37 4.357 4.841 -0.484 1
1 366 . 18 1 1 A 37 37 ARG CB C 37 30.808 33.352 -2.544 1
1 375 . 18 1 1 A 38 38 LYS N N 38 128.503 123.250 5.253 1
1 376 . 18 1 1 A 38 38 LYS H H 38 8.048 8.724 -0.676 1
1 377 . 18 1 1 A 38 38 LYS CA C 38 57.651 56.601 1.050 1
1 378 . 18 1 1 A 38 38 LYS HA H 38 4.147 4.582 -0.435 1
1 379 . 18 1 1 A 38 38 LYS CB C 38 33.710 33.995 -0.285 1
1 391 . 18 1 1 A 40 40 GLY CA C 40 44.605 44.652 -0.047 1
1 392 . 18 1 1 A 40 40 GLY HA2 H 40 4.130 4.022 0.108 1
1 393 . 18 1 1 A 40 40 GLY HA3 H 40 4.130 4.023 0.107 1
1 394 . 18 1 1 A 41 41 PRO CA C 41 63.289 62.966 0.323 1
1 395 . 18 1 1 A 41 41 PRO HA H 41 4.468 4.428 0.040 1
1 396 . 18 1 1 A 41 41 PRO CB C 41 32.206 32.108 0.098 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.484 45.531 -0.047 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.025 3.972 0.053 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.025 3.974 0.051 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.529 173.845 0.684 1
1 5 . 19 1 1 A 8 8 THR N N 8 113.203 114.863 -1.660 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.121 8.234 -0.113 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.909 59.371 2.538 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.352 5.084 -0.732 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.714 72.330 -2.616 1
1 15 . 19 1 1 A 8 8 THR C C 8 174.447 173.264 1.183 1
1 16 . 19 1 1 A 9 9 ASP N N 9 122.758 123.220 -0.462 1
1 17 . 19 1 1 A 9 9 ASP H H 9 8.411 9.122 -0.711 1
1 18 . 19 1 1 A 9 9 ASP CA C 9 54.415 52.347 2.068 1
1 19 . 19 1 1 A 9 9 ASP HA H 9 4.660 5.501 -0.841 1
1 20 . 19 1 1 A 9 9 ASP CB C 9 41.177 44.126 -2.949 1
1 23 . 19 1 1 A 9 9 ASP C C 9 176.142 174.455 1.687 1
1 24 . 19 1 1 A 10 10 SER N N 10 116.278 117.340 -1.062 1
1 25 . 19 1 1 A 10 10 SER H H 10 8.205 8.755 -0.550 1
1 26 . 19 1 1 A 10 10 SER CA C 10 58.390 56.808 1.582 1
1 27 . 19 1 1 A 10 10 SER HA H 10 4.400 4.686 -0.286 1
1 28 . 19 1 1 A 10 10 SER CB C 10 63.777 63.768 0.009 1
1 31 . 19 1 1 A 10 10 SER C C 10 174.207 174.314 -0.107 1
1 32 . 19 1 1 A 11 11 LYS N N 11 123.340 124.821 -1.481 1
1 33 . 19 1 1 A 11 11 LYS H H 11 8.288 8.369 -0.081 1
1 34 . 19 1 1 A 11 11 LYS CA C 11 55.992 57.113 -1.121 1
1 35 . 19 1 1 A 11 11 LYS HA H 11 4.254 4.051 0.203 1
1 36 . 19 1 1 A 11 11 LYS CB C 11 33.080 31.757 1.323 1
1 48 . 19 1 1 A 11 11 LYS C C 11 175.464 176.491 -1.027 1
1 49 . 19 1 1 A 12 12 SER N N 12 115.376 116.500 -1.124 1
1 50 . 19 1 1 A 12 12 SER H H 12 7.783 7.434 0.349 1
1 51 . 19 1 1 A 12 12 SER CA C 12 57.470 58.834 -1.364 1
1 52 . 19 1 1 A 12 12 SER HA H 12 4.484 4.205 0.279 1
1 53 . 19 1 1 A 12 12 SER CB C 12 64.666 63.134 1.532 1
1 56 . 19 1 1 A 12 12 SER C C 12 172.585 174.093 -1.508 1
1 57 . 19 1 1 A 13 13 TYR N N 13 122.308 126.440 -4.132 1
1 58 . 19 1 1 A 13 13 TYR H H 13 8.678 8.173 0.505 1
1 59 . 19 1 1 A 13 13 TYR CA C 13 57.124 59.269 -2.145 1
1 60 . 19 1 1 A 13 13 TYR HA H 13 4.644 4.659 -0.015 1
1 61 . 19 1 1 A 13 13 TYR CB C 13 39.856 38.783 1.073 1
1 72 . 19 1 1 A 13 13 TYR C C 13 174.849 176.122 -1.273 1
1 73 . 19 1 1 A 14 14 ASN N N 14 121.239 121.911 -0.672 1
1 74 . 19 1 1 A 14 14 ASN H H 14 8.692 9.086 -0.394 1
1 75 . 19 1 1 A 14 14 ASN CA C 14 52.525 51.751 0.774 1
1 76 . 19 1 1 A 14 14 ASN HA H 14 5.463 5.324 0.139 1
1 77 . 19 1 1 A 14 14 ASN CB C 14 40.600 41.606 -1.006 1
1 83 . 19 1 1 A 14 14 ASN C C 14 174.400 174.339 0.061 1
1 84 . 19 1 1 A 15 15 CYS N N 15 124.052 123.230 0.822 1
1 85 . 19 1 1 A 15 15 CYS H H 15 9.215 8.931 0.284 1
1 86 . 19 1 1 A 15 15 CYS CA C 15 59.463 59.853 -0.390 1
1 87 . 19 1 1 A 15 15 CYS HA H 15 4.541 4.723 -0.182 1
1 88 . 19 1 1 A 15 15 CYS CB C 15 29.688 28.539 1.149 1
1 91 . 19 1 1 A 15 15 CYS C C 15 177.069 174.773 2.296 1
1 92 . 19 1 1 A 16 16 ASN N N 16 130.116 124.962 5.154 1
1 93 . 19 1 1 A 16 16 ASN H H 16 9.386 8.902 0.484 1
1 94 . 19 1 1 A 16 16 ASN CA C 16 55.613 54.215 1.398 1
1 95 . 19 1 1 A 16 16 ASN HA H 16 4.515 4.803 -0.288 1
1 96 . 19 1 1 A 16 16 ASN CB C 16 38.236 39.017 -0.781 1
1 102 . 19 1 1 A 16 16 ASN C C 16 175.385 177.201 -1.816 1
1 103 . 19 1 1 A 17 17 GLU N N 17 120.832 120.087 0.745 1
1 104 . 19 1 1 A 17 17 GLU H H 17 8.687 8.295 0.392 1
1 105 . 19 1 1 A 17 17 GLU CA C 17 58.362 59.185 -0.823 1
1 106 . 19 1 1 A 17 17 GLU HA H 17 4.224 3.915 0.309 1
1 107 . 19 1 1 A 17 17 GLU CB C 17 29.626 28.539 1.087 1
1 113 . 19 1 1 A 17 17 GLU C C 17 177.037 178.210 -1.173 1
1 114 . 19 1 1 A 18 18 CYS N N 18 114.739 115.160 -0.421 1
1 115 . 19 1 1 A 18 18 CYS H H 18 7.888 7.360 0.528 1
1 116 . 19 1 1 A 18 18 CYS CA C 18 58.338 59.819 -1.481 1
1 117 . 19 1 1 A 18 18 CYS HA H 18 5.145 4.576 0.569 1
1 118 . 19 1 1 A 18 18 CYS CB C 18 32.372 29.514 2.858 1
1 121 . 19 1 1 A 18 18 CYS C C 18 176.190 175.313 0.877 1
1 122 . 19 1 1 A 19 19 GLY N N 19 113.385 110.179 3.206 1
1 123 . 19 1 1 A 19 19 GLY H H 19 8.188 8.051 0.137 1
1 124 . 19 1 1 A 19 19 GLY CA C 19 46.207 45.754 0.453 1
1 125 . 19 1 1 A 19 19 GLY HA2 H 19 3.890 4.050 -0.160 1
1 126 . 19 1 1 A 19 19 GLY HA3 H 19 4.212 4.053 0.159 1
1 127 . 19 1 1 A 19 19 GLY C C 19 174.091 174.120 -0.029 1
1 128 . 19 1 1 A 20 20 LYS N N 20 123.027 118.891 4.136 1
1 129 . 19 1 1 A 20 20 LYS H H 20 7.879 7.760 0.119 1
1 130 . 19 1 1 A 20 20 LYS CA C 20 58.200 54.053 4.147 1
1 131 . 19 1 1 A 20 20 LYS HA H 20 3.916 4.569 -0.653 1
1 132 . 19 1 1 A 20 20 LYS CB C 20 33.874 34.304 -0.430 1
1 144 . 19 1 1 A 20 20 LYS C C 20 173.619 175.116 -1.497 1
1 145 . 19 1 1 A 21 21 ALA N N 21 124.096 120.444 3.652 1
1 146 . 19 1 1 A 21 21 ALA H H 21 7.788 8.159 -0.371 1
1 147 . 19 1 1 A 21 21 ALA CA C 21 50.996 50.513 0.483 1
1 148 . 19 1 1 A 21 21 ALA HA H 21 4.931 4.920 0.011 1
1 149 . 19 1 1 A 21 21 ALA CB C 21 21.943 21.976 -0.033 1
1 153 . 19 1 1 A 21 21 ALA C C 21 176.797 175.045 1.752 1
1 154 . 19 1 1 A 22 22 PHE N N 22 117.342 119.003 -1.661 1
1 155 . 19 1 1 A 22 22 PHE H H 22 8.610 8.956 -0.346 1
1 156 . 19 1 1 A 22 22 PHE CA C 22 57.093 56.524 0.569 1
1 157 . 19 1 1 A 22 22 PHE HA H 22 4.858 4.951 -0.093 1
1 158 . 19 1 1 A 22 22 PHE CB C 22 43.718 42.510 1.208 1
1 171 . 19 1 1 A 22 22 PHE C C 22 175.933 175.864 0.069 1
1 172 . 19 1 1 A 23 23 THR CA C 23 62.823 64.184 -1.361 1
1 173 . 19 1 1 A 23 23 THR HA H 23 4.685 4.286 0.399 1
1 174 . 19 1 1 A 23 23 THR CB C 23 69.904 69.765 0.139 1
1 180 . 19 1 1 A 23 23 THR C C 23 175.088 174.841 0.247 1
1 181 . 19 1 1 A 24 24 ARG N N 24 116.983 120.158 -3.175 1
1 182 . 19 1 1 A 24 24 ARG H H 24 7.249 7.796 -0.547 1
1 183 . 19 1 1 A 24 24 ARG CA C 24 53.376 54.576 -1.200 1
1 184 . 19 1 1 A 24 24 ARG HA H 24 4.789 4.666 0.123 1
1 185 . 19 1 1 A 24 24 ARG CB C 24 33.354 31.386 1.968 1
1 194 . 19 1 1 A 24 24 ARG C C 24 177.127 176.764 0.363 1
1 195 . 19 1 1 A 25 25 ILE N N 25 126.047 124.515 1.532 1
1 196 . 19 1 1 A 25 25 ILE H H 25 8.578 8.517 0.061 1
1 197 . 19 1 1 A 25 25 ILE CA C 25 63.728 63.092 0.636 1
1 198 . 19 1 1 A 25 25 ILE HA H 25 3.203 3.601 -0.398 1
1 199 . 19 1 1 A 25 25 ILE CB C 25 37.142 38.609 -1.467 1
1 212 . 19 1 1 A 25 25 ILE C C 25 176.844 177.395 -0.551 1
1 213 . 19 1 1 A 26 26 PHE CA C 26 59.118 59.917 -0.799 1
1 214 . 19 1 1 A 26 26 PHE HA H 26 4.429 4.239 0.190 1
1 215 . 19 1 1 A 26 26 PHE CB C 26 38.494 37.749 0.745 1
1 224 . 19 1 1 A 26 26 PHE C C 26 177.609 177.696 -0.087 1
1 225 . 19 1 1 A 27 27 HIS N N 27 117.282 118.057 -0.775 1
1 226 . 19 1 1 A 27 27 HIS H H 27 6.564 7.217 -0.653 1
1 227 . 19 1 1 A 27 27 HIS CA C 27 57.363 58.624 -1.261 1
1 228 . 19 1 1 A 27 27 HIS HA H 27 4.358 4.092 0.266 1
1 229 . 19 1 1 A 27 27 HIS CB C 27 31.719 29.183 2.536 1
1 234 . 19 1 1 A 27 27 HIS C C 27 178.164 177.575 0.589 1
1 235 . 19 1 1 A 28 28 LEU N N 28 122.177 120.797 1.380 1
1 236 . 19 1 1 A 28 28 LEU H H 28 7.044 7.773 -0.729 1
1 237 . 19 1 1 A 28 28 LEU CA C 28 58.040 57.532 0.508 1
1 238 . 19 1 1 A 28 28 LEU HA H 28 3.196 3.232 -0.036 1
1 239 . 19 1 1 A 28 28 LEU CB C 28 40.283 42.081 -1.798 1
1 252 . 19 1 1 A 28 28 LEU C C 28 177.790 178.451 -0.661 1
1 253 . 19 1 1 A 29 29 THR N N 29 114.476 114.916 -0.440 1
1 254 . 19 1 1 A 29 29 THR H H 29 8.616 7.686 0.930 1
1 255 . 19 1 1 A 29 29 THR CA C 29 66.015 66.870 -0.855 1
1 256 . 19 1 1 A 29 29 THR HA H 29 3.943 3.951 -0.008 1
1 257 . 19 1 1 A 29 29 THR CB C 29 68.316 68.198 0.118 1
1 263 . 19 1 1 A 29 29 THR C C 29 177.269 177.314 -0.045 1
1 264 . 19 1 1 A 30 30 ARG N N 30 120.519 120.422 0.097 1
1 265 . 19 1 1 A 30 30 ARG H H 30 7.354 8.518 -1.164 1
1 266 . 19 1 1 A 30 30 ARG CA C 30 59.260 57.906 1.354 1
1 267 . 19 1 1 A 30 30 ARG HA H 30 3.948 4.165 -0.217 1
1 268 . 19 1 1 A 30 30 ARG CB C 30 30.125 29.028 1.097 1
1 277 . 19 1 1 A 30 30 ARG C C 30 178.650 178.264 0.386 1
1 278 . 19 1 1 A 31 31 HIS N N 31 119.426 120.139 -0.713 1
1 279 . 19 1 1 A 31 31 HIS H H 31 7.522 8.109 -0.587 1
1 280 . 19 1 1 A 31 31 HIS CA C 31 59.079 58.877 0.202 1
1 281 . 19 1 1 A 31 31 HIS HA H 31 4.191 4.134 0.057 1
1 282 . 19 1 1 A 31 31 HIS CB C 31 28.539 30.125 -1.586 1
1 289 . 19 1 1 A 31 31 HIS C C 31 176.154 177.065 -0.911 1
1 290 . 19 1 1 A 32 32 GLN N N 32 114.933 117.506 -2.573 1
1 291 . 19 1 1 A 32 32 GLN H H 32 8.342 8.272 0.070 1
1 292 . 19 1 1 A 32 32 GLN CA C 32 59.352 59.139 0.213 1
1 293 . 19 1 1 A 32 32 GLN HA H 32 3.629 3.878 -0.249 1
1 294 . 19 1 1 A 32 32 GLN CB C 32 28.360 28.353 0.007 1
1 303 . 19 1 1 A 32 32 GLN C C 32 177.376 178.475 -1.099 1
1 304 . 19 1 1 A 33 33 LYS N N 33 117.471 119.874 -2.403 1
1 305 . 19 1 1 A 33 33 LYS H H 33 7.047 8.017 -0.970 1
1 306 . 19 1 1 A 33 33 LYS CA C 33 58.359 58.997 -0.638 1
1 307 . 19 1 1 A 33 33 LYS HA H 33 4.059 3.986 0.073 1
1 308 . 19 1 1 A 33 33 LYS CB C 33 32.214 32.562 -0.348 1
1 320 . 19 1 1 A 33 33 LYS C C 33 178.607 179.429 -0.822 1
1 321 . 19 1 1 A 34 34 ILE N N 34 115.534 116.789 -1.255 1
1 322 . 19 1 1 A 34 34 ILE H H 34 7.799 7.935 -0.136 1
1 323 . 19 1 1 A 34 34 ILE CA C 34 62.935 63.336 -0.401 1
1 324 . 19 1 1 A 34 34 ILE HA H 34 3.978 3.758 0.220 1
1 325 . 19 1 1 A 34 34 ILE CB C 34 37.719 37.319 0.400 1
1 338 . 19 1 1 A 34 34 ILE C C 34 177.151 177.254 -0.103 1
1 339 . 19 1 1 A 35 35 HIS N N 35 117.940 119.944 -2.004 1
1 340 . 19 1 1 A 35 35 HIS H H 35 7.211 7.903 -0.692 1
1 341 . 19 1 1 A 35 35 HIS CA C 35 54.796 58.167 -3.371 1
1 342 . 19 1 1 A 35 35 HIS HA H 35 4.831 4.489 0.342 1
1 343 . 19 1 1 A 35 35 HIS CB C 35 28.553 30.683 -2.130 1
1 350 . 19 1 1 A 35 35 HIS C C 35 175.116 175.563 -0.447 1
1 351 . 19 1 1 A 36 36 THR N N 36 113.656 112.502 1.154 1
1 352 . 19 1 1 A 36 36 THR H H 36 7.712 7.917 -0.205 1
1 353 . 19 1 1 A 36 36 THR CA C 36 62.445 63.056 -0.611 1
1 354 . 19 1 1 A 36 36 THR HA H 36 4.288 3.959 0.329 1
1 355 . 19 1 1 A 36 36 THR CB C 36 69.822 66.658 3.164 1
1 361 . 19 1 1 A 36 36 THR C C 36 174.481 174.632 -0.151 1
1 362 . 19 1 1 A 37 37 ARG N N 37 123.945 123.735 0.210 1
1 363 . 19 1 1 A 37 37 ARG H H 37 8.264 7.854 0.410 1
1 364 . 19 1 1 A 37 37 ARG CA C 37 56.202 55.284 0.918 1
1 365 . 19 1 1 A 37 37 ARG HA H 37 4.357 4.365 -0.008 1
1 366 . 19 1 1 A 37 37 ARG CB C 37 30.808 28.860 1.948 1
1 375 . 19 1 1 A 38 38 LYS N N 38 128.503 126.225 2.278 1
1 376 . 19 1 1 A 38 38 LYS H H 38 8.048 8.097 -0.049 1
1 377 . 19 1 1 A 38 38 LYS CA C 38 57.651 54.653 2.998 1
1 378 . 19 1 1 A 38 38 LYS HA H 38 4.147 4.719 -0.572 1
1 379 . 19 1 1 A 38 38 LYS CB C 38 33.710 35.144 -1.434 1
1 391 . 19 1 1 A 40 40 GLY CA C 40 44.605 45.422 -0.817 1
1 392 . 19 1 1 A 40 40 GLY HA2 H 40 4.130 4.205 -0.075 1
1 393 . 19 1 1 A 40 40 GLY HA3 H 40 4.130 4.205 -0.075 1
1 394 . 19 1 1 A 41 41 PRO CA C 41 63.289 64.092 -0.803 1
1 395 . 19 1 1 A 41 41 PRO HA H 41 4.468 4.461 0.007 1
1 396 . 19 1 1 A 41 41 PRO CB C 41 32.206 31.896 0.310 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.484 46.113 -0.629 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.025 4.054 -0.029 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.025 4.055 -0.030 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.529 172.901 1.628 1
1 5 . 20 1 1 A 8 8 THR N N 8 113.203 121.244 -8.041 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.121 8.818 -0.697 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.909 63.374 -1.465 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.352 4.284 0.068 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.714 68.895 0.819 1
1 15 . 20 1 1 A 8 8 THR C C 8 174.447 173.656 0.791 1
1 16 . 20 1 1 A 9 9 ASP N N 9 122.758 126.601 -3.843 1
1 17 . 20 1 1 A 9 9 ASP H H 9 8.411 8.834 -0.423 1
1 18 . 20 1 1 A 9 9 ASP CA C 9 54.415 55.201 -0.786 1
1 19 . 20 1 1 A 9 9 ASP HA H 9 4.660 4.921 -0.261 1
1 20 . 20 1 1 A 9 9 ASP CB C 9 41.177 43.445 -2.268 1
1 23 . 20 1 1 A 9 9 ASP C C 9 176.142 176.671 -0.529 1
1 24 . 20 1 1 A 10 10 SER N N 10 116.278 113.467 2.811 1
1 25 . 20 1 1 A 10 10 SER H H 10 8.205 8.053 0.152 1
1 26 . 20 1 1 A 10 10 SER CA C 10 58.390 57.449 0.941 1
1 27 . 20 1 1 A 10 10 SER HA H 10 4.400 4.681 -0.281 1
1 28 . 20 1 1 A 10 10 SER CB C 10 63.777 61.340 2.437 1
1 31 . 20 1 1 A 10 10 SER C C 10 174.207 173.713 0.494 1
1 32 . 20 1 1 A 11 11 LYS N N 11 123.340 120.543 2.797 1
1 33 . 20 1 1 A 11 11 LYS H H 11 8.288 7.414 0.874 1
1 34 . 20 1 1 A 11 11 LYS CA C 11 55.992 56.429 -0.437 1
1 35 . 20 1 1 A 11 11 LYS HA H 11 4.254 4.215 0.039 1
1 36 . 20 1 1 A 11 11 LYS CB C 11 33.080 32.934 0.146 1
1 48 . 20 1 1 A 11 11 LYS C C 11 175.464 176.011 -0.547 1
1 49 . 20 1 1 A 12 12 SER N N 12 115.376 115.243 0.133 1
1 50 . 20 1 1 A 12 12 SER H H 12 7.783 8.561 -0.778 1
1 51 . 20 1 1 A 12 12 SER CA C 12 57.470 57.480 -0.010 1
1 52 . 20 1 1 A 12 12 SER HA H 12 4.484 4.628 -0.144 1
1 53 . 20 1 1 A 12 12 SER CB C 12 64.666 67.262 -2.596 1
1 56 . 20 1 1 A 12 12 SER C C 12 172.585 171.988 0.597 1
1 57 . 20 1 1 A 13 13 TYR N N 13 122.308 121.848 0.460 1
1 58 . 20 1 1 A 13 13 TYR H H 13 8.678 8.201 0.477 1
1 59 . 20 1 1 A 13 13 TYR CA C 13 57.124 56.672 0.452 1
1 60 . 20 1 1 A 13 13 TYR HA H 13 4.644 5.344 -0.700 1
1 61 . 20 1 1 A 13 13 TYR CB C 13 39.856 39.994 -0.138 1
1 72 . 20 1 1 A 13 13 TYR C C 13 174.849 175.029 -0.180 1
1 73 . 20 1 1 A 14 14 ASN N N 14 121.239 122.198 -0.959 1
1 74 . 20 1 1 A 14 14 ASN H H 14 8.692 9.045 -0.353 1
1 75 . 20 1 1 A 14 14 ASN CA C 14 52.525 51.985 0.540 1
1 76 . 20 1 1 A 14 14 ASN HA H 14 5.463 5.496 -0.033 1
1 77 . 20 1 1 A 14 14 ASN CB C 14 40.600 41.407 -0.807 1
1 83 . 20 1 1 A 14 14 ASN C C 14 174.400 174.566 -0.166 1
1 84 . 20 1 1 A 15 15 CYS N N 15 124.052 122.200 1.852 1
1 85 . 20 1 1 A 15 15 CYS H H 15 9.215 8.999 0.216 1
1 86 . 20 1 1 A 15 15 CYS CA C 15 59.463 59.225 0.238 1
1 87 . 20 1 1 A 15 15 CYS HA H 15 4.541 4.624 -0.083 1
1 88 . 20 1 1 A 15 15 CYS CB C 15 29.688 28.272 1.416 1
1 91 . 20 1 1 A 15 15 CYS C C 15 177.069 176.274 0.795 1
1 92 . 20 1 1 A 16 16 ASN N N 16 130.116 122.206 7.910 1
1 93 . 20 1 1 A 16 16 ASN H H 16 9.386 8.816 0.570 1
1 94 . 20 1 1 A 16 16 ASN CA C 16 55.613 52.781 2.832 1
1 95 . 20 1 1 A 16 16 ASN HA H 16 4.515 4.886 -0.371 1
1 96 . 20 1 1 A 16 16 ASN CB C 16 38.236 38.128 0.108 1
1 102 . 20 1 1 A 16 16 ASN C C 16 175.385 174.672 0.713 1
1 103 . 20 1 1 A 17 17 GLU N N 17 120.832 117.731 3.101 1
1 104 . 20 1 1 A 17 17 GLU H H 17 8.687 7.963 0.724 1
1 105 . 20 1 1 A 17 17 GLU CA C 17 58.362 57.072 1.290 1
1 106 . 20 1 1 A 17 17 GLU HA H 17 4.224 4.458 -0.234 1
1 107 . 20 1 1 A 17 17 GLU CB C 17 29.626 32.194 -2.568 1
1 113 . 20 1 1 A 17 17 GLU C C 17 177.037 177.671 -0.634 1
1 114 . 20 1 1 A 18 18 CYS N N 18 114.739 114.769 -0.030 1
1 115 . 20 1 1 A 18 18 CYS H H 18 7.888 8.055 -0.167 1
1 116 . 20 1 1 A 18 18 CYS CA C 18 58.338 59.551 -1.213 1
1 117 . 20 1 1 A 18 18 CYS HA H 18 5.145 4.673 0.472 1
1 118 . 20 1 1 A 18 18 CYS CB C 18 32.372 29.921 2.451 1
1 121 . 20 1 1 A 18 18 CYS C C 18 176.190 175.370 0.820 1
1 122 . 20 1 1 A 19 19 GLY N N 19 113.385 109.743 3.642 1
1 123 . 20 1 1 A 19 19 GLY H H 19 8.188 7.991 0.197 1
1 124 . 20 1 1 A 19 19 GLY CA C 19 46.207 45.320 0.887 1
1 125 . 20 1 1 A 19 19 GLY HA2 H 19 3.890 4.059 -0.169 1
1 126 . 20 1 1 A 19 19 GLY HA3 H 19 4.212 4.064 0.148 1
1 127 . 20 1 1 A 19 19 GLY C C 19 174.091 174.293 -0.202 1
1 128 . 20 1 1 A 20 20 LYS N N 20 123.027 120.772 2.255 1
1 129 . 20 1 1 A 20 20 LYS H H 20 7.879 7.822 0.057 1
1 130 . 20 1 1 A 20 20 LYS CA C 20 58.200 54.960 3.240 1
1 131 . 20 1 1 A 20 20 LYS HA H 20 3.916 4.691 -0.775 1
1 132 . 20 1 1 A 20 20 LYS CB C 20 33.874 34.739 -0.865 1
1 144 . 20 1 1 A 20 20 LYS C C 20 173.619 174.847 -1.228 1
1 145 . 20 1 1 A 21 21 ALA N N 21 124.096 123.965 0.131 1
1 146 . 20 1 1 A 21 21 ALA H H 21 7.788 8.019 -0.231 1
1 147 . 20 1 1 A 21 21 ALA CA C 21 50.996 50.618 0.378 1
1 148 . 20 1 1 A 21 21 ALA HA H 21 4.931 5.030 -0.099 1
1 149 . 20 1 1 A 21 21 ALA CB C 21 21.943 22.746 -0.803 1
1 153 . 20 1 1 A 21 21 ALA C C 21 176.797 174.601 2.196 1
1 154 . 20 1 1 A 22 22 PHE N N 22 117.342 117.936 -0.594 1
1 155 . 20 1 1 A 22 22 PHE H H 22 8.610 8.727 -0.117 1
1 156 . 20 1 1 A 22 22 PHE CA C 22 57.093 56.792 0.301 1
1 157 . 20 1 1 A 22 22 PHE HA H 22 4.858 4.860 -0.002 1
1 158 . 20 1 1 A 22 22 PHE CB C 22 43.718 43.623 0.095 1
1 171 . 20 1 1 A 22 22 PHE C C 22 175.933 175.612 0.321 1
1 172 . 20 1 1 A 23 23 THR CA C 23 62.823 63.964 -1.141 1
1 173 . 20 1 1 A 23 23 THR HA H 23 4.685 4.386 0.299 1
1 174 . 20 1 1 A 23 23 THR CB C 23 69.904 69.378 0.526 1
1 180 . 20 1 1 A 23 23 THR C C 23 175.088 174.960 0.128 1
1 181 . 20 1 1 A 24 24 ARG N N 24 116.983 119.242 -2.259 1
1 182 . 20 1 1 A 24 24 ARG H H 24 7.249 7.825 -0.576 1
1 183 . 20 1 1 A 24 24 ARG CA C 24 53.376 54.581 -1.205 1
1 184 . 20 1 1 A 24 24 ARG HA H 24 4.789 4.720 0.069 1
1 185 . 20 1 1 A 24 24 ARG CB C 24 33.354 31.420 1.934 1
1 194 . 20 1 1 A 24 24 ARG C C 24 177.127 177.352 -0.225 1
1 195 . 20 1 1 A 25 25 ILE N N 25 126.047 124.609 1.438 1
1 196 . 20 1 1 A 25 25 ILE H H 25 8.578 8.749 -0.171 1
1 197 . 20 1 1 A 25 25 ILE CA C 25 63.728 63.548 0.180 1
1 198 . 20 1 1 A 25 25 ILE HA H 25 3.203 3.684 -0.481 1
1 199 . 20 1 1 A 25 25 ILE CB C 25 37.142 38.398 -1.256 1
1 212 . 20 1 1 A 25 25 ILE C C 25 176.844 177.557 -0.713 1
1 213 . 20 1 1 A 26 26 PHE CA C 26 59.118 60.524 -1.406 1
1 214 . 20 1 1 A 26 26 PHE HA H 26 4.429 4.200 0.229 1
1 215 . 20 1 1 A 26 26 PHE CB C 26 38.494 37.621 0.873 1
1 224 . 20 1 1 A 26 26 PHE C C 26 177.609 177.928 -0.319 1
1 225 . 20 1 1 A 27 27 HIS N N 27 117.282 117.060 0.222 1
1 226 . 20 1 1 A 27 27 HIS H H 27 6.564 6.661 -0.097 1
1 227 . 20 1 1 A 27 27 HIS CA C 27 57.363 58.466 -1.103 1
1 228 . 20 1 1 A 27 27 HIS HA H 27 4.358 4.333 0.025 1
1 229 . 20 1 1 A 27 27 HIS CB C 27 31.719 29.293 2.426 1
1 234 . 20 1 1 A 27 27 HIS C C 27 178.164 176.960 1.204 1
1 235 . 20 1 1 A 28 28 LEU N N 28 122.177 121.111 1.066 1
1 236 . 20 1 1 A 28 28 LEU H H 28 7.044 7.619 -0.575 1
1 237 . 20 1 1 A 28 28 LEU CA C 28 58.040 57.346 0.694 1
1 238 . 20 1 1 A 28 28 LEU HA H 28 3.196 2.838 0.358 1
1 239 . 20 1 1 A 28 28 LEU CB C 28 40.283 41.586 -1.303 1
1 252 . 20 1 1 A 28 28 LEU C C 28 177.790 178.040 -0.250 1
1 253 . 20 1 1 A 29 29 THR N N 29 114.476 114.024 0.452 1
1 254 . 20 1 1 A 29 29 THR H H 29 8.616 7.782 0.834 1
1 255 . 20 1 1 A 29 29 THR CA C 29 66.015 65.605 0.410 1
1 256 . 20 1 1 A 29 29 THR HA H 29 3.943 3.789 0.154 1
1 257 . 20 1 1 A 29 29 THR CB C 29 68.316 68.888 -0.572 1
1 263 . 20 1 1 A 29 29 THR C C 29 177.269 176.374 0.895 1
1 264 . 20 1 1 A 30 30 ARG N N 30 120.519 121.258 -0.739 1
1 265 . 20 1 1 A 30 30 ARG H H 30 7.354 7.936 -0.582 1
1 266 . 20 1 1 A 30 30 ARG CA C 30 59.260 59.415 -0.155 1
1 267 . 20 1 1 A 30 30 ARG HA H 30 3.948 4.015 -0.067 1
1 268 . 20 1 1 A 30 30 ARG CB C 30 30.125 29.433 0.692 1
1 277 . 20 1 1 A 30 30 ARG C C 30 178.650 178.726 -0.076 1
1 278 . 20 1 1 A 31 31 HIS N N 31 119.426 120.790 -1.364 1
1 279 . 20 1 1 A 31 31 HIS H H 31 7.522 8.435 -0.913 1
1 280 . 20 1 1 A 31 31 HIS CA C 31 59.079 59.413 -0.334 1
1 281 . 20 1 1 A 31 31 HIS HA H 31 4.191 4.248 -0.057 1
1 282 . 20 1 1 A 31 31 HIS CB C 31 28.539 30.119 -1.580 1
1 289 . 20 1 1 A 31 31 HIS C C 31 176.154 177.448 -1.294 1
1 290 . 20 1 1 A 32 32 GLN N N 32 114.933 118.431 -3.498 1
1 291 . 20 1 1 A 32 32 GLN H H 32 8.342 8.163 0.179 1
1 292 . 20 1 1 A 32 32 GLN CA C 32 59.352 58.545 0.807 1
1 293 . 20 1 1 A 32 32 GLN HA H 32 3.629 3.941 -0.312 1
1 294 . 20 1 1 A 32 32 GLN CB C 32 28.360 28.186 0.174 1
1 303 . 20 1 1 A 32 32 GLN C C 32 177.376 178.831 -1.455 1
1 304 . 20 1 1 A 33 33 LYS N N 33 117.471 119.179 -1.708 1
1 305 . 20 1 1 A 33 33 LYS H H 33 7.047 7.898 -0.851 1
1 306 . 20 1 1 A 33 33 LYS CA C 33 58.359 58.876 -0.517 1
1 307 . 20 1 1 A 33 33 LYS HA H 33 4.059 4.040 0.019 1
1 308 . 20 1 1 A 33 33 LYS CB C 33 32.214 32.337 -0.123 1
1 320 . 20 1 1 A 33 33 LYS C C 33 178.607 178.257 0.350 1
1 321 . 20 1 1 A 34 34 ILE N N 34 115.534 113.030 2.504 1
1 322 . 20 1 1 A 34 34 ILE H H 34 7.799 7.559 0.240 1
1 323 . 20 1 1 A 34 34 ILE CA C 34 62.935 61.351 1.584 1
1 324 . 20 1 1 A 34 34 ILE HA H 34 3.978 4.042 -0.064 1
1 325 . 20 1 1 A 34 34 ILE CB C 34 37.719 36.795 0.924 1
1 338 . 20 1 1 A 34 34 ILE C C 34 177.151 175.846 1.305 1
1 339 . 20 1 1 A 35 35 HIS N N 35 117.940 119.947 -2.007 1
1 340 . 20 1 1 A 35 35 HIS H H 35 7.211 8.053 -0.842 1
1 341 . 20 1 1 A 35 35 HIS CA C 35 54.796 55.372 -0.576 1
1 342 . 20 1 1 A 35 35 HIS HA H 35 4.831 4.837 -0.006 1
1 343 . 20 1 1 A 35 35 HIS CB C 35 28.553 29.701 -1.148 1
1 350 . 20 1 1 A 35 35 HIS C C 35 175.116 174.369 0.747 1
1 351 . 20 1 1 A 36 36 THR N N 36 113.656 112.462 1.194 1
1 352 . 20 1 1 A 36 36 THR H H 36 7.712 7.534 0.178 1
1 353 . 20 1 1 A 36 36 THR CA C 36 62.445 62.187 0.258 1
1 354 . 20 1 1 A 36 36 THR HA H 36 4.288 4.228 0.060 1
1 355 . 20 1 1 A 36 36 THR CB C 36 69.822 69.831 -0.009 1
1 361 . 20 1 1 A 36 36 THR C C 36 174.481 174.300 0.181 1
1 362 . 20 1 1 A 37 37 ARG N N 37 123.945 121.986 1.959 1
1 363 . 20 1 1 A 37 37 ARG H H 37 8.264 8.728 -0.464 1
1 364 . 20 1 1 A 37 37 ARG CA C 37 56.202 54.548 1.654 1
1 365 . 20 1 1 A 37 37 ARG HA H 37 4.357 4.908 -0.551 1
1 366 . 20 1 1 A 37 37 ARG CB C 37 30.808 32.157 -1.349 1
1 375 . 20 1 1 A 38 38 LYS N N 38 128.503 123.301 5.202 1
1 376 . 20 1 1 A 38 38 LYS H H 38 8.048 8.443 -0.395 1
1 377 . 20 1 1 A 38 38 LYS CA C 38 57.651 55.468 2.183 1
1 378 . 20 1 1 A 38 38 LYS HA H 38 4.147 4.782 -0.635 1
1 379 . 20 1 1 A 38 38 LYS CB C 38 33.710 32.981 0.729 1
1 391 . 20 1 1 A 40 40 GLY CA C 40 44.605 45.395 -0.790 1
1 392 . 20 1 1 A 40 40 GLY HA2 H 40 4.130 4.014 0.116 1
1 393 . 20 1 1 A 40 40 GLY HA3 H 40 4.130 4.014 0.116 1
1 394 . 20 1 1 A 41 41 PRO CA C 41 63.289 62.842 0.447 1
1 395 . 20 1 1 A 41 41 PRO HA H 41 4.468 4.536 -0.068 1
1 396 . 20 1 1 A 41 41 PRO CB C 41 32.206 32.134 0.072 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 30 1.026 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.647 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.461 1
4 1 1 1 "RMS(OBS, PRED)" H 29 0.604 1
5 1 1 1 "RMS(OBS, PRED)" HA 37 0.437 1
6 1 1 1 "RMS(OBS, PRED)" N 29 3.676 1
7 1 2 1 "RMS(OBS, PRED)" C 30 1.006 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.298 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.736 1
10 1 2 1 "RMS(OBS, PRED)" H 29 0.603 1
11 1 2 1 "RMS(OBS, PRED)" HA 37 0.345 1
12 1 2 1 "RMS(OBS, PRED)" N 29 2.813 1
13 1 3 1 "RMS(OBS, PRED)" C 30 0.911 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.537 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.676 1
16 1 3 1 "RMS(OBS, PRED)" H 29 0.649 1
17 1 3 1 "RMS(OBS, PRED)" HA 37 0.285 1
18 1 3 1 "RMS(OBS, PRED)" N 29 2.714 1
19 1 4 1 "RMS(OBS, PRED)" C 30 0.939 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.413 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.227 1
22 1 4 1 "RMS(OBS, PRED)" H 29 0.582 1
23 1 4 1 "RMS(OBS, PRED)" HA 37 0.357 1
24 1 4 1 "RMS(OBS, PRED)" N 29 2.523 1
25 1 5 1 "RMS(OBS, PRED)" C 30 0.861 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.358 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.364 1
28 1 5 1 "RMS(OBS, PRED)" H 29 0.593 1
29 1 5 1 "RMS(OBS, PRED)" HA 37 0.320 1
30 1 5 1 "RMS(OBS, PRED)" N 29 2.917 1
31 1 6 1 "RMS(OBS, PRED)" C 30 0.748 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.492 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.523 1
34 1 6 1 "RMS(OBS, PRED)" H 29 0.603 1
35 1 6 1 "RMS(OBS, PRED)" HA 37 0.268 1
36 1 6 1 "RMS(OBS, PRED)" N 29 4.217 1
37 1 7 1 "RMS(OBS, PRED)" C 30 1.032 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.368 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.357 1
40 1 7 1 "RMS(OBS, PRED)" H 29 0.620 1
41 1 7 1 "RMS(OBS, PRED)" HA 37 0.381 1
42 1 7 1 "RMS(OBS, PRED)" N 29 2.685 1
43 1 8 1 "RMS(OBS, PRED)" C 30 0.998 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.321 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.336 1
46 1 8 1 "RMS(OBS, PRED)" H 29 0.558 1
47 1 8 1 "RMS(OBS, PRED)" HA 37 0.321 1
48 1 8 1 "RMS(OBS, PRED)" N 29 2.816 1
49 1 9 1 "RMS(OBS, PRED)" C 30 0.918 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.726 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.543 1
52 1 9 1 "RMS(OBS, PRED)" H 29 0.573 1
53 1 9 1 "RMS(OBS, PRED)" HA 37 0.303 1
54 1 9 1 "RMS(OBS, PRED)" N 29 2.928 1
55 1 10 1 "RMS(OBS, PRED)" C 30 0.868 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.353 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.596 1
58 1 10 1 "RMS(OBS, PRED)" H 29 0.627 1
59 1 10 1 "RMS(OBS, PRED)" HA 37 0.372 1
60 1 10 1 "RMS(OBS, PRED)" N 29 3.319 1
61 1 11 1 "RMS(OBS, PRED)" C 30 0.857 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.560 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.436 1
64 1 11 1 "RMS(OBS, PRED)" H 29 0.502 1
65 1 11 1 "RMS(OBS, PRED)" HA 37 0.375 1
66 1 11 1 "RMS(OBS, PRED)" N 29 2.686 1
67 1 12 1 "RMS(OBS, PRED)" C 30 0.817 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.086 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.359 1
70 1 12 1 "RMS(OBS, PRED)" H 29 0.572 1
71 1 12 1 "RMS(OBS, PRED)" HA 37 0.308 1
72 1 12 1 "RMS(OBS, PRED)" N 29 2.160 1
73 1 13 1 "RMS(OBS, PRED)" C 30 0.794 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.388 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.601 1
76 1 13 1 "RMS(OBS, PRED)" H 29 0.537 1
77 1 13 1 "RMS(OBS, PRED)" HA 37 0.327 1
78 1 13 1 "RMS(OBS, PRED)" N 29 3.084 1
79 1 14 1 "RMS(OBS, PRED)" C 30 0.735 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.188 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.184 1
82 1 14 1 "RMS(OBS, PRED)" H 29 0.507 1
83 1 14 1 "RMS(OBS, PRED)" HA 37 0.295 1
84 1 14 1 "RMS(OBS, PRED)" N 29 2.382 1
85 1 15 1 "RMS(OBS, PRED)" C 30 1.085 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.484 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.496 1
88 1 15 1 "RMS(OBS, PRED)" H 29 0.623 1
89 1 15 1 "RMS(OBS, PRED)" HA 37 0.368 1
90 1 15 1 "RMS(OBS, PRED)" N 29 2.103 1
91 1 16 1 "RMS(OBS, PRED)" C 30 1.046 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.224 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.567 1
94 1 16 1 "RMS(OBS, PRED)" H 29 0.609 1
95 1 16 1 "RMS(OBS, PRED)" HA 37 0.331 1
96 1 16 1 "RMS(OBS, PRED)" N 29 3.394 1
97 1 17 1 "RMS(OBS, PRED)" C 30 0.717 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.416 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.228 1
100 1 17 1 "RMS(OBS, PRED)" H 29 0.546 1
101 1 17 1 "RMS(OBS, PRED)" HA 37 0.314 1
102 1 17 1 "RMS(OBS, PRED)" N 29 2.998 1
103 1 18 1 "RMS(OBS, PRED)" C 30 0.788 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.199 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.426 1
106 1 18 1 "RMS(OBS, PRED)" H 29 0.613 1
107 1 18 1 "RMS(OBS, PRED)" HA 37 0.314 1
108 1 18 1 "RMS(OBS, PRED)" N 29 2.447 1
109 1 19 1 "RMS(OBS, PRED)" C 30 1.019 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.525 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.586 1
112 1 19 1 "RMS(OBS, PRED)" H 29 0.530 1
113 1 19 1 "RMS(OBS, PRED)" HA 37 0.319 1
114 1 19 1 "RMS(OBS, PRED)" N 29 2.210 1
115 1 20 1 "RMS(OBS, PRED)" C 30 0.879 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.185 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.379 1
118 1 20 1 "RMS(OBS, PRED)" H 29 0.532 1
119 1 20 1 "RMS(OBS, PRED)" HA 37 0.295 1
120 1 20 1 "RMS(OBS, PRED)" N 29 3.044 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.484 45.884 -0.400 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.025 4.011 0.014 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.025 4.012 0.013 2
1 4 . 1 1 A 7 7 GLY C C 7 174.529 173.867 0.662 2
1 5 . 1 1 A 8 8 THR N N 8 113.203 116.022 -2.819 2
1 6 . 1 1 A 8 8 THR H H 8 8.121 8.378 -0.257 2
1 7 . 1 1 A 8 8 THR CA C 8 61.909 61.926 -0.017 2
1 8 . 1 1 A 8 8 THR HA H 8 4.352 4.595 -0.243 2
1 9 . 1 1 A 8 8 THR CB C 8 69.714 69.908 -0.194 2
1 15 . 1 1 A 8 8 THR C C 8 174.447 173.581 0.866 2
1 16 . 1 1 A 9 9 ASP N N 9 122.758 125.162 -2.404 2
1 17 . 1 1 A 9 9 ASP H H 9 8.411 8.607 -0.196 2
1 18 . 1 1 A 9 9 ASP CA C 9 54.415 54.357 0.058 2
1 19 . 1 1 A 9 9 ASP HA H 9 4.660 4.925 -0.265 2
1 20 . 1 1 A 9 9 ASP CB C 9 41.177 42.437 -1.260 2
1 23 . 1 1 A 9 9 ASP C C 9 176.142 175.502 0.640 2
1 24 . 1 1 A 10 10 SER N N 10 116.278 115.559 0.719 2
1 25 . 1 1 A 10 10 SER H H 10 8.205 8.319 -0.114 2
1 26 . 1 1 A 10 10 SER CA C 10 58.390 57.563 0.827 2
1 27 . 1 1 A 10 10 SER HA H 10 4.400 4.782 -0.382 2
1 28 . 1 1 A 10 10 SER CB C 10 63.777 64.874 -1.097 2
1 31 . 1 1 A 10 10 SER C C 10 174.207 173.587 0.620 2
1 32 . 1 1 A 11 11 LYS N N 11 123.340 122.531 0.809 2
1 33 . 1 1 A 11 11 LYS H H 11 8.288 8.427 -0.139 2
1 34 . 1 1 A 11 11 LYS CA C 11 55.992 55.485 0.507 2
1 35 . 1 1 A 11 11 LYS HA H 11 4.254 4.533 -0.279 2
1 36 . 1 1 A 11 11 LYS CB C 11 33.080 34.145 -1.065 2
1 48 . 1 1 A 11 11 LYS C C 11 175.464 175.566 -0.102 2
1 49 . 1 1 A 12 12 SER N N 12 115.376 114.998 0.378 2
1 50 . 1 1 A 12 12 SER H H 12 7.783 8.453 -0.670 2
1 51 . 1 1 A 12 12 SER CA C 12 57.470 57.223 0.247 2
1 52 . 1 1 A 12 12 SER HA H 12 4.484 4.840 -0.356 2
1 53 . 1 1 A 12 12 SER CB C 12 64.666 65.835 -1.169 2
1 56 . 1 1 A 12 12 SER C C 12 172.585 172.290 0.295 2
1 57 . 1 1 A 13 13 TYR N N 13 122.308 123.398 -1.090 2
1 58 . 1 1 A 13 13 TYR H H 13 8.678 8.544 0.134 2
1 59 . 1 1 A 13 13 TYR CA C 13 57.124 57.226 -0.102 2
1 60 . 1 1 A 13 13 TYR HA H 13 4.644 5.146 -0.502 2
1 61 . 1 1 A 13 13 TYR CB C 13 39.856 40.208 -0.352 2
1 72 . 1 1 A 13 13 TYR C C 13 174.849 175.427 -0.578 2
1 73 . 1 1 A 14 14 ASN N N 14 121.239 120.353 0.886 2
1 74 . 1 1 A 14 14 ASN H H 14 8.692 9.122 -0.430 2
1 75 . 1 1 A 14 14 ASN CA C 14 52.525 51.966 0.559 2
1 76 . 1 1 A 14 14 ASN HA H 14 5.463 5.614 -0.151 2
1 77 . 1 1 A 14 14 ASN CB C 14 40.600 42.176 -1.576 2
1 83 . 1 1 A 14 14 ASN C C 14 174.400 174.036 0.364 2
1 84 . 1 1 A 15 15 CYS N N 15 124.052 122.134 1.918 2
1 85 . 1 1 A 15 15 CYS H H 15 9.215 9.116 0.099 2
1 86 . 1 1 A 15 15 CYS CA C 15 59.463 58.928 0.535 2
1 87 . 1 1 A 15 15 CYS HA H 15 4.541 4.707 -0.166 2
1 88 . 1 1 A 15 15 CYS CB C 15 29.688 28.291 1.397 2
1 91 . 1 1 A 15 15 CYS C C 15 177.069 175.695 1.374 2
1 92 . 1 1 A 16 16 ASN N N 16 130.116 124.889 5.227 2
1 93 . 1 1 A 16 16 ASN H H 16 9.386 8.841 0.545 2
1 94 . 1 1 A 16 16 ASN CA C 16 55.613 54.289 1.324 2
1 95 . 1 1 A 16 16 ASN HA H 16 4.515 4.712 -0.197 2
1 96 . 1 1 A 16 16 ASN CB C 16 38.236 38.340 -0.104 2
1 102 . 1 1 A 16 16 ASN C C 16 175.385 176.521 -1.136 2
1 103 . 1 1 A 17 17 GLU N N 17 120.832 119.050 1.782 2
1 104 . 1 1 A 17 17 GLU H H 17 8.687 8.137 0.550 2
1 105 . 1 1 A 17 17 GLU CA C 17 58.362 58.368 -0.006 2
1 106 . 1 1 A 17 17 GLU HA H 17 4.224 4.160 0.064 2
1 107 . 1 1 A 17 17 GLU CB C 17 29.626 30.080 -0.454 2
1 113 . 1 1 A 17 17 GLU C C 17 177.037 177.947 -0.910 2
1 114 . 1 1 A 18 18 CYS N N 18 114.739 115.083 -0.344 2
1 115 . 1 1 A 18 18 CYS H H 18 7.888 7.857 0.031 2
1 116 . 1 1 A 18 18 CYS CA C 18 58.338 59.598 -1.260 2
1 117 . 1 1 A 18 18 CYS HA H 18 5.145 4.649 0.496 2
1 118 . 1 1 A 18 18 CYS CB C 18 32.372 29.909 2.463 2
1 121 . 1 1 A 18 18 CYS C C 18 176.190 175.461 0.729 2
1 122 . 1 1 A 19 19 GLY N N 19 113.385 109.987 3.398 2
1 123 . 1 1 A 19 19 GLY H H 19 8.188 8.349 -0.161 2
1 124 . 1 1 A 19 19 GLY CA C 19 46.207 45.788 0.419 2
1 125 . 1 1 A 19 19 GLY HA2 H 19 3.890 4.033 -0.143 2
1 126 . 1 1 A 19 19 GLY HA3 H 19 4.212 4.041 0.171 2
1 127 . 1 1 A 19 19 GLY C C 19 174.091 174.005 0.086 2
1 128 . 1 1 A 20 20 LYS N N 20 123.027 120.203 2.824 2
1 129 . 1 1 A 20 20 LYS H H 20 7.879 7.718 0.161 2
1 130 . 1 1 A 20 20 LYS CA C 20 58.200 54.727 3.473 2
1 131 . 1 1 A 20 20 LYS HA H 20 3.916 4.635 -0.719 2
1 132 . 1 1 A 20 20 LYS CB C 20 33.874 35.115 -1.241 2
1 144 . 1 1 A 20 20 LYS C C 20 173.619 174.750 -1.131 2
1 145 . 1 1 A 21 21 ALA N N 21 124.096 126.317 -2.220 2
1 146 . 1 1 A 21 21 ALA H H 21 7.788 8.525 -0.737 2
1 147 . 1 1 A 21 21 ALA CA C 21 50.996 50.747 0.249 2
1 148 . 1 1 A 21 21 ALA HA H 21 4.931 5.139 -0.208 2
1 149 . 1 1 A 21 21 ALA CB C 21 21.943 21.006 0.937 2
1 153 . 1 1 A 21 21 ALA C C 21 176.797 175.997 0.800 2
1 154 . 1 1 A 22 22 PHE N N 22 117.342 119.531 -2.189 2
1 155 . 1 1 A 22 22 PHE H H 22 8.610 9.108 -0.498 2
1 156 . 1 1 A 22 22 PHE CA C 22 57.093 56.593 0.500 2
1 157 . 1 1 A 22 22 PHE HA H 22 4.858 4.950 -0.092 2
1 158 . 1 1 A 22 22 PHE CB C 22 43.718 42.039 1.679 2
1 171 . 1 1 A 22 22 PHE C C 22 175.933 176.025 -0.092 2
1 172 . 1 1 A 23 23 THR CA C 23 62.823 64.717 -1.894 2
1 173 . 1 1 A 23 23 THR HA H 23 4.685 4.262 0.423 2
1 174 . 1 1 A 23 23 THR CB C 23 69.904 69.186 0.718 2
1 180 . 1 1 A 23 23 THR C C 23 175.088 174.934 0.154 2
1 181 . 1 1 A 24 24 ARG N N 24 116.983 119.978 -2.995 2
1 182 . 1 1 A 24 24 ARG H H 24 7.249 7.824 -0.575 2
1 183 . 1 1 A 24 24 ARG CA C 24 53.376 54.408 -1.032 2
1 184 . 1 1 A 24 24 ARG HA H 24 4.789 4.678 0.111 2
1 185 . 1 1 A 24 24 ARG CB C 24 33.354 31.789 1.565 2
1 194 . 1 1 A 24 24 ARG C C 24 177.127 176.602 0.525 2
1 195 . 1 1 A 25 25 ILE N N 25 126.047 124.322 1.725 2
1 196 . 1 1 A 25 25 ILE H H 25 8.578 8.411 0.167 2
1 197 . 1 1 A 25 25 ILE CA C 25 63.728 63.090 0.638 2
1 198 . 1 1 A 25 25 ILE HA H 25 3.203 3.540 -0.337 2
1 199 . 1 1 A 25 25 ILE CB C 25 37.142 38.164 -1.022 2
1 212 . 1 1 A 25 25 ILE C C 25 176.844 177.424 -0.580 2
1 213 . 1 1 A 26 26 PHE CA C 26 59.118 59.971 -0.853 2
1 214 . 1 1 A 26 26 PHE HA H 26 4.429 4.254 0.175 2
1 215 . 1 1 A 26 26 PHE CB C 26 38.494 38.033 0.461 2
1 224 . 1 1 A 26 26 PHE C C 26 177.609 177.548 0.061 2
1 225 . 1 1 A 27 27 HIS N N 27 117.282 118.779 -1.497 2
1 226 . 1 1 A 27 27 HIS H H 27 6.564 7.423 -0.859 2
1 227 . 1 1 A 27 27 HIS CA C 27 57.363 59.285 -1.922 2
1 228 . 1 1 A 27 27 HIS HA H 27 4.358 4.133 0.225 2
1 229 . 1 1 A 27 27 HIS CB C 27 31.719 29.554 2.165 2
1 234 . 1 1 A 27 27 HIS C C 27 178.164 176.913 1.251 2
1 235 . 1 1 A 28 28 LEU N N 28 122.177 120.279 1.898 2
1 236 . 1 1 A 28 28 LEU H H 28 7.044 7.692 -0.648 2
1 237 . 1 1 A 28 28 LEU CA C 28 58.040 57.502 0.538 2
1 238 . 1 1 A 28 28 LEU HA H 28 3.196 2.967 0.229 2
1 239 . 1 1 A 28 28 LEU CB C 28 40.283 41.564 -1.281 2
1 252 . 1 1 A 28 28 LEU C C 28 177.790 178.326 -0.536 2
1 253 . 1 1 A 29 29 THR N N 29 114.476 114.647 -0.171 2
1 254 . 1 1 A 29 29 THR H H 29 8.616 7.829 0.787 2
1 255 . 1 1 A 29 29 THR CA C 29 66.015 66.630 -0.615 2
1 256 . 1 1 A 29 29 THR HA H 29 3.943 3.840 0.103 2
1 257 . 1 1 A 29 29 THR CB C 29 68.316 68.479 -0.163 2
1 263 . 1 1 A 29 29 THR C C 29 177.269 176.700 0.569 2
1 264 . 1 1 A 30 30 ARG N N 30 120.519 120.453 0.066 2
1 265 . 1 1 A 30 30 ARG H H 30 7.354 8.169 -0.815 2
1 266 . 1 1 A 30 30 ARG CA C 30 59.260 58.561 0.699 2
1 267 . 1 1 A 30 30 ARG HA H 30 3.948 4.092 -0.144 2
1 268 . 1 1 A 30 30 ARG CB C 30 30.125 29.377 0.748 2
1 277 . 1 1 A 30 30 ARG C C 30 178.650 178.210 0.440 2
1 278 . 1 1 A 31 31 HIS N N 31 119.426 120.172 -0.746 2
1 279 . 1 1 A 31 31 HIS H H 31 7.522 8.010 -0.488 2
1 280 . 1 1 A 31 31 HIS CA C 31 59.079 59.146 -0.067 2
1 281 . 1 1 A 31 31 HIS HA H 31 4.191 4.192 -0.001 2
1 282 . 1 1 A 31 31 HIS CB C 31 28.539 29.997 -1.458 2
1 289 . 1 1 A 31 31 HIS C C 31 176.154 177.005 -0.851 2
1 290 . 1 1 A 32 32 GLN N N 32 114.933 117.546 -2.613 2
1 291 . 1 1 A 32 32 GLN H H 32 8.342 8.309 0.033 2
1 292 . 1 1 A 32 32 GLN CA C 32 59.352 58.929 0.423 2
1 293 . 1 1 A 32 32 GLN HA H 32 3.629 3.777 -0.148 2
1 294 . 1 1 A 32 32 GLN CB C 32 28.360 28.301 0.059 2
1 303 . 1 1 A 32 32 GLN C C 32 177.376 178.376 -1.000 2
1 304 . 1 1 A 33 33 LYS N N 33 117.471 119.417 -1.946 2
1 305 . 1 1 A 33 33 LYS H H 33 7.047 7.924 -0.877 2
1 306 . 1 1 A 33 33 LYS CA C 33 58.359 58.873 -0.514 2
1 307 . 1 1 A 33 33 LYS HA H 33 4.059 3.993 0.066 2
1 308 . 1 1 A 33 33 LYS CB C 33 32.214 32.374 -0.160 2
1 320 . 1 1 A 33 33 LYS C C 33 178.607 179.034 -0.427 2
1 321 . 1 1 A 34 34 ILE N N 34 115.534 116.514 -0.980 2
1 322 . 1 1 A 34 34 ILE H H 34 7.799 7.913 -0.114 2
1 323 . 1 1 A 34 34 ILE CA C 34 62.935 63.330 -0.395 2
1 324 . 1 1 A 34 34 ILE HA H 34 3.978 3.867 0.111 2
1 325 . 1 1 A 34 34 ILE CB C 34 37.719 37.388 0.331 2
1 338 . 1 1 A 34 34 ILE C C 34 177.151 176.847 0.303 2
1 339 . 1 1 A 35 35 HIS N N 35 117.940 120.154 -2.214 2
1 340 . 1 1 A 35 35 HIS H H 35 7.211 7.752 -0.541 2
1 341 . 1 1 A 35 35 HIS CA C 35 54.796 56.539 -1.743 2
1 342 . 1 1 A 35 35 HIS HA H 35 4.831 4.565 0.266 2
1 343 . 1 1 A 35 35 HIS CB C 35 28.553 29.233 -0.680 2
1 350 . 1 1 A 35 35 HIS C C 35 175.116 175.394 -0.278 2
1 351 . 1 1 A 36 36 THR N N 36 113.656 113.111 0.545 2
1 352 . 1 1 A 36 36 THR H H 36 7.712 7.841 -0.129 2
1 353 . 1 1 A 36 36 THR CA C 36 62.445 61.873 0.572 2
1 354 . 1 1 A 36 36 THR HA H 36 4.288 4.452 -0.164 2
1 355 . 1 1 A 36 36 THR CB C 36 69.822 69.606 0.216 2
1 361 . 1 1 A 36 36 THR C C 36 174.481 174.224 0.257 2
1 362 . 1 1 A 37 37 ARG N N 37 123.945 123.943 0.002 2
1 363 . 1 1 A 37 37 ARG H H 37 8.264 8.200 0.064 2
1 364 . 1 1 A 37 37 ARG CA C 37 56.202 55.139 1.063 2
1 365 . 1 1 A 37 37 ARG HA H 37 4.357 4.634 -0.277 2
1 366 . 1 1 A 37 37 ARG CB C 37 30.808 31.847 -1.039 2
1 375 . 1 1 A 38 38 LYS N N 38 128.503 122.187 6.316 2
1 376 . 1 1 A 38 38 LYS H H 38 8.048 8.397 -0.349 2
1 377 . 1 1 A 38 38 LYS CA C 38 57.651 56.162 1.489 2
1 378 . 1 1 A 38 38 LYS HA H 38 4.147 4.502 -0.355 2
1 379 . 1 1 A 38 38 LYS CB C 38 33.710 33.061 0.649 2
1 391 . 1 1 A 40 40 GLY CA C 40 44.605 45.156 -0.551 2
1 392 . 1 1 A 40 40 GLY HA2 H 40 4.130 4.091 0.039 2
1 393 . 1 1 A 40 40 GLY HA3 H 40 4.130 4.093 0.037 2
1 394 . 1 1 A 41 41 PRO CA C 41 63.289 63.454 -0.165 2
1 395 . 1 1 A 41 41 PRO HA H 41 4.468 4.519 -0.051 2
1 396 . 1 1 A 41 41 PRO CB C 41 32.206 32.014 0.193 2
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