data_10190_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10190
_Entry.PDB_ID 2EOO
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 8 8 SER CA C 8 58.454 59.337 -0.883 1
1 2 . 1 1 1 A 8 8 SER HA H 8 4.440 4.696 -0.256 1
1 3 . 1 1 1 A 8 8 SER CB C 8 63.904 65.256 -1.352 1
1 5 . 1 1 1 A 8 8 SER C C 8 175.126 174.307 0.819 1
1 7 . 1 1 1 A 9 9 GLY N N 9 110.864 105.394 5.470 1
1 8 . 1 1 1 A 9 9 GLY H H 9 8.493 7.538 0.955 1
1 9 . 1 1 1 A 9 9 GLY CA C 9 45.376 45.162 0.214 1
1 10 . 1 1 1 A 9 9 GLY C C 9 174.128 171.983 2.145 1
1 11 . 1 1 1 A 9 9 GLY HA2 H 9 3.960 4.148 -0.188 1
1 12 . 1 1 1 A 10 10 GLU N N 10 120.050 121.314 -1.264 1
1 13 . 1 1 1 A 10 10 GLU H H 10 8.255 8.343 -0.088 1
1 14 . 1 1 1 A 10 10 GLU CA C 10 56.893 54.918 1.975 1
1 15 . 1 1 1 A 10 10 GLU HA H 10 4.236 4.985 -0.749 1
1 16 . 1 1 1 A 10 10 GLU CB C 10 30.417 33.082 -2.665 1
1 20 . 1 1 1 A 10 10 GLU C C 10 176.477 175.686 0.791 1
1 23 . 1 1 1 A 11 11 ARG N N 11 121.287 124.694 -3.407 1
1 24 . 1 1 1 A 11 11 ARG H H 11 8.311 8.516 -0.205 1
1 25 . 1 1 1 A 11 11 ARG CA C 11 53.586 53.699 -0.113 1
1 26 . 1 1 1 A 11 11 ARG HA H 11 4.588 5.251 -0.663 1
1 27 . 1 1 1 A 11 11 ARG CB C 11 30.618 30.882 -0.264 1
1 33 . 1 1 1 A 11 11 ARG C C 11 173.631 174.852 -1.221 1
1 37 . 1 1 1 A 12 12 PRO CA C 12 63.542 65.127 -1.585 1
1 38 . 1 1 1 A 12 12 PRO HA H 12 4.349 4.297 0.052 1
1 39 . 1 1 1 A 12 12 PRO CB C 12 32.216 31.712 0.504 1
1 45 . 1 1 1 A 12 12 PRO C C 12 176.387 176.139 0.248 1
1 49 . 1 1 1 A 13 13 TYR N N 13 119.060 117.533 1.527 1
1 50 . 1 1 1 A 13 13 TYR H H 13 8.102 7.845 0.257 1
1 51 . 1 1 1 A 13 13 TYR CA C 13 56.965 57.520 -0.555 1
1 52 . 1 1 1 A 13 13 TYR HA H 13 4.754 4.680 0.074 1
1 53 . 1 1 1 A 13 13 TYR CB C 13 38.432 37.777 0.655 1
1 63 . 1 1 1 A 13 13 TYR C C 13 175.135 175.594 -0.459 1
1 65 . 1 1 1 A 14 14 GLY N N 14 111.562 111.349 0.213 1
1 66 . 1 1 1 A 14 14 GLY H H 14 8.513 8.749 -0.236 1
1 67 . 1 1 1 A 14 14 GLY CA C 14 45.058 45.083 -0.025 1
1 68 . 1 1 1 A 14 14 GLY HA3 H 14 4.932 4.232 0.700 1
1 69 . 1 1 1 A 14 14 GLY C C 14 172.508 173.651 -1.143 1
1 70 . 1 1 1 A 14 14 GLY HA2 H 14 3.638 4.215 -0.577 1
1 71 . 1 1 1 A 15 15 CYS N N 15 124.194 124.713 -0.519 1
1 72 . 1 1 1 A 15 15 CYS H H 15 9.008 9.120 -0.112 1
1 73 . 1 1 1 A 15 15 CYS CA C 15 58.959 59.707 -0.748 1
1 74 . 1 1 1 A 15 15 CYS HA H 15 4.695 4.580 0.115 1
1 75 . 1 1 1 A 15 15 CYS CB C 15 30.119 28.850 1.269 1
1 77 . 1 1 1 A 15 15 CYS C C 15 177.447 174.787 2.660 1
1 79 . 1 1 1 A 16 16 ASN N N 16 129.997 125.275 4.722 1
1 80 . 1 1 1 A 16 16 ASN H H 16 9.480 8.872 0.608 1
1 81 . 1 1 1 A 16 16 ASN CA C 16 55.267 54.293 0.974 1
1 82 . 1 1 1 A 16 16 ASN HA H 16 4.625 4.829 -0.204 1
1 83 . 1 1 1 A 16 16 ASN CB C 16 38.516 39.084 -0.568 1
1 88 . 1 1 1 A 16 16 ASN C C 16 175.463 177.191 -1.728 1
1 90 . 1 1 1 A 17 17 GLU N N 17 121.690 118.756 2.934 1
1 91 . 1 1 1 A 17 17 GLU H H 17 9.024 8.425 0.599 1
1 92 . 1 1 1 A 17 17 GLU CA C 17 58.253 59.720 -1.467 1
1 93 . 1 1 1 A 17 17 GLU HA H 17 4.239 3.998 0.241 1
1 94 . 1 1 1 A 17 17 GLU CB C 17 29.490 29.294 0.196 1
1 98 . 1 1 1 A 17 17 GLU C C 17 177.355 177.860 -0.505 1
1 101 . 1 1 1 A 18 18 CYS N N 18 115.999 114.328 1.671 1
1 102 . 1 1 1 A 18 18 CYS H H 18 8.351 7.425 0.926 1
1 103 . 1 1 1 A 18 18 CYS CA C 18 58.536 59.435 -0.899 1
1 104 . 1 1 1 A 18 18 CYS HA H 18 5.170 4.607 0.563 1
1 105 . 1 1 1 A 18 18 CYS CB C 18 32.295 30.031 2.264 1
1 107 . 1 1 1 A 18 18 CYS C C 18 176.224 175.498 0.726 1
1 109 . 1 1 1 A 19 19 GLY N N 19 112.718 110.081 2.637 1
1 110 . 1 1 1 A 19 19 GLY H H 19 8.032 8.210 -0.178 1
1 111 . 1 1 1 A 19 19 GLY CA C 19 46.253 45.625 0.628 1
1 112 . 1 1 1 A 19 19 GLY HA3 H 19 4.228 4.084 0.144 1
1 113 . 1 1 1 A 19 19 GLY C C 19 174.201 174.328 -0.127 1
1 114 . 1 1 1 A 19 19 GLY HA2 H 19 3.901 4.068 -0.167 1
1 115 . 1 1 1 A 20 20 LYS N N 20 122.353 120.609 1.744 1
1 116 . 1 1 1 A 20 20 LYS H H 20 7.856 7.816 0.040 1
1 117 . 1 1 1 A 20 20 LYS CA C 20 57.657 54.558 3.099 1
1 118 . 1 1 1 A 20 20 LYS HA H 20 4.043 4.622 -0.579 1
1 119 . 1 1 1 A 20 20 LYS CB C 20 34.015 34.783 -0.768 1
1 127 . 1 1 1 A 20 20 LYS C C 20 173.954 174.799 -0.845 1
1 132 . 1 1 1 A 21 21 ASN N N 21 117.851 120.818 -2.967 1
1 133 . 1 1 1 A 21 21 ASN H H 21 7.905 8.016 -0.111 1
1 134 . 1 1 1 A 21 21 ASN CA C 21 51.903 51.297 0.606 1
1 135 . 1 1 1 A 21 21 ASN HA H 21 5.337 5.550 -0.213 1
1 136 . 1 1 1 A 21 21 ASN CB C 21 41.671 42.083 -0.412 1
1 141 . 1 1 1 A 21 21 ASN C C 21 174.118 173.226 0.892 1
1 143 . 1 1 1 A 22 22 PHE N N 22 117.132 118.286 -1.154 1
1 144 . 1 1 1 A 22 22 PHE H H 22 8.604 8.509 0.095 1
1 145 . 1 1 1 A 22 22 PHE CA C 22 57.519 56.722 0.797 1
1 146 . 1 1 1 A 22 22 PHE HA H 22 4.753 5.027 -0.274 1
1 147 . 1 1 1 A 22 22 PHE CB C 22 43.604 43.940 -0.336 1
1 159 . 1 1 1 A 22 22 PHE C C 22 175.478 175.111 0.367 1
1 161 . 1 1 1 A 23 23 GLY CA C 23 45.805 45.541 0.264 1
1 162 . 1 1 1 A 23 23 GLY HA3 H 23 4.493 4.179 0.314 1
1 163 . 1 1 1 A 23 23 GLY HA2 H 23 4.065 4.103 -0.038 1
1 164 . 1 1 1 A 24 24 ARG N N 24 115.504 118.818 -3.314 1
1 165 . 1 1 1 A 24 24 ARG H H 24 7.280 7.421 -0.141 1
1 166 . 1 1 1 A 24 24 ARG CA C 24 53.903 53.796 0.107 1
1 167 . 1 1 1 A 24 24 ARG HA H 24 4.647 4.784 -0.137 1
1 168 . 1 1 1 A 24 24 ARG CB C 24 33.063 34.094 -1.031 1
1 177 . 1 1 1 A 25 25 HIS N N 25 112.630 122.745 -10.115 1
1 178 . 1 1 1 A 25 25 HIS H H 25 8.702 8.816 -0.114 1
1 179 . 1 1 1 A 25 25 HIS CA C 25 60.282 59.286 0.996 1
1 180 . 1 1 1 A 25 25 HIS HA H 25 3.275 2.827 0.448 1
1 181 . 1 1 1 A 25 25 HIS CB C 25 30.569 29.787 0.782 1
1 188 . 1 1 1 A 26 26 SER CA C 26 61.201 62.434 -1.233 1
1 189 . 1 1 1 A 26 26 SER HA H 26 3.832 3.812 0.020 1
1 190 . 1 1 1 A 26 26 SER CB C 26 61.402 62.831 -1.429 1
1 192 . 1 1 1 A 26 26 SER C C 26 176.998 176.556 0.442 1
1 194 . 1 1 1 A 27 27 HIS N N 27 120.791 119.412 1.379 1
1 195 . 1 1 1 A 27 27 HIS H H 27 6.716 7.981 -1.265 1
1 196 . 1 1 1 A 27 27 HIS CA C 27 56.885 58.562 -1.677 1
1 197 . 1 1 1 A 27 27 HIS HA H 27 4.438 4.102 0.336 1
1 198 . 1 1 1 A 27 27 HIS CB C 27 31.710 29.614 2.096 1
1 204 . 1 1 1 A 27 27 HIS C C 27 178.259 177.216 1.043 1
1 206 . 1 1 1 A 28 28 LEU N N 28 121.891 119.952 1.939 1
1 207 . 1 1 1 A 28 28 LEU H H 28 7.048 7.609 -0.561 1
1 208 . 1 1 1 A 28 28 LEU CA C 28 57.858 57.533 0.325 1
1 209 . 1 1 1 A 28 28 LEU HA H 28 3.316 3.280 0.036 1
1 210 . 1 1 1 A 28 28 LEU CB C 28 40.235 41.657 -1.422 1
1 222 . 1 1 1 A 28 28 LEU C C 28 177.276 178.246 -0.970 1
1 224 . 1 1 1 A 29 29 ILE N N 29 118.247 119.730 -1.483 1
1 225 . 1 1 1 A 29 29 ILE H H 29 7.890 7.530 0.360 1
1 226 . 1 1 1 A 29 29 ILE CA C 29 63.737 65.531 -1.794 1
1 227 . 1 1 1 A 29 29 ILE HA H 29 3.547 3.388 0.159 1
1 228 . 1 1 1 A 29 29 ILE CB C 29 36.186 37.644 -1.458 1
1 240 . 1 1 1 A 29 29 ILE C C 29 178.830 177.495 1.335 1
1 242 . 1 1 1 A 30 30 GLU N N 30 117.991 119.274 -1.283 1
1 243 . 1 1 1 A 30 30 GLU H H 30 7.499 8.067 -0.568 1
1 244 . 1 1 1 A 30 30 GLU CA C 30 59.104 59.582 -0.478 1
1 245 . 1 1 1 A 30 30 GLU HA H 30 3.959 3.872 0.087 1
1 246 . 1 1 1 A 30 30 GLU CB C 30 29.435 29.240 0.195 1
1 250 . 1 1 1 A 30 30 GLU C C 30 178.622 179.119 -0.497 1
1 253 . 1 1 1 A 31 31 HIS N N 31 119.737 119.938 -0.201 1
1 254 . 1 1 1 A 31 31 HIS H H 31 7.541 7.440 0.101 1
1 255 . 1 1 1 A 31 31 HIS CA C 31 59.599 59.721 -0.122 1
1 256 . 1 1 1 A 31 31 HIS HA H 31 4.113 4.155 -0.042 1
1 257 . 1 1 1 A 31 31 HIS CB C 31 28.503 30.019 -1.516 1
1 263 . 1 1 1 A 31 31 HIS C C 31 177.036 176.896 0.140 1
1 265 . 1 1 1 A 32 32 LEU N N 32 118.963 118.591 0.372 1
1 266 . 1 1 1 A 32 32 LEU H H 32 8.669 8.685 -0.016 1
1 267 . 1 1 1 A 32 32 LEU CA C 32 58.231 57.648 0.583 1
1 268 . 1 1 1 A 32 32 LEU HA H 32 3.868 3.437 0.431 1
1 269 . 1 1 1 A 32 32 LEU CB C 32 41.914 41.005 0.909 1
1 281 . 1 1 1 A 32 32 LEU C C 32 179.605 178.901 0.704 1
1 283 . 1 1 1 A 33 33 LYS N N 33 117.980 118.964 -0.984 1
1 284 . 1 1 1 A 33 33 LYS H H 33 7.426 7.928 -0.502 1
1 285 . 1 1 1 A 33 33 LYS CA C 33 59.259 60.435 -1.176 1
1 286 . 1 1 1 A 33 33 LYS HA H 33 3.964 3.906 0.058 1
1 287 . 1 1 1 A 33 33 LYS CB C 33 32.436 32.258 0.178 1
1 295 . 1 1 1 A 33 33 LYS C C 33 178.878 179.370 -0.492 1
1 300 . 1 1 1 A 34 34 ARG N N 34 117.379 119.948 -2.569 1
1 301 . 1 1 1 A 34 34 ARG H H 34 7.659 7.416 0.243 1
1 302 . 1 1 1 A 34 34 ARG CA C 34 57.923 59.284 -1.361 1
1 303 . 1 1 1 A 34 34 ARG HA H 34 4.030 3.973 0.057 1
1 304 . 1 1 1 A 34 34 ARG CB C 34 29.157 29.810 -0.653 1
1 310 . 1 1 1 A 34 34 ARG C C 34 178.055 178.810 -0.755 1
1 314 . 1 1 1 A 35 35 HIS N N 35 115.913 118.369 -2.456 1
1 315 . 1 1 1 A 35 35 HIS H H 35 7.257 7.811 -0.554 1
1 316 . 1 1 1 A 35 35 HIS CA C 35 56.578 59.125 -2.547 1
1 317 . 1 1 1 A 35 35 HIS HA H 35 4.629 4.202 0.427 1
1 318 . 1 1 1 A 35 35 HIS CB C 35 28.654 30.069 -1.415 1
1 324 . 1 1 1 A 35 35 HIS C C 35 175.953 177.841 -1.888 1
1 326 . 1 1 1 A 36 36 PHE N N 36 119.384 120.164 -0.780 1
1 327 . 1 1 1 A 36 36 PHE H H 36 7.760 8.289 -0.529 1
1 328 . 1 1 1 A 36 36 PHE CA C 36 58.890 62.059 -3.169 1
1 329 . 1 1 1 A 36 36 PHE HA H 36 4.543 4.051 0.492 1
1 330 . 1 1 1 A 36 36 PHE CB C 36 39.026 39.189 -0.163 1
1 342 . 1 1 1 A 36 36 PHE C C 36 176.549 176.329 0.220 1
1 344 . 1 1 1 A 37 37 ARG N N 37 121.608 118.569 3.039 1
1 345 . 1 1 1 A 37 37 ARG H H 37 8.099 7.979 0.120 1
1 346 . 1 1 1 A 37 37 ARG CA C 37 56.871 55.777 1.094 1
1 347 . 1 1 1 A 37 37 ARG HA H 37 4.231 4.124 0.107 1
1 348 . 1 1 1 A 37 37 ARG CB C 37 30.858 30.942 -0.084 1
1 354 . 1 1 1 A 37 37 ARG C C 37 176.808 175.813 0.995 1
1 358 . 1 1 1 A 38 38 GLU N N 38 120.749 126.475 -5.726 1
1 359 . 1 1 1 A 38 38 GLU H H 38 8.205 8.621 -0.416 1
1 360 . 1 1 1 A 38 38 GLU CA C 38 57.166 55.732 1.434 1
1 361 . 1 1 1 A 38 38 GLU HA H 38 4.194 4.368 -0.174 1
1 362 . 1 1 1 A 38 38 GLU CB C 38 30.047 29.067 0.980 1
1 366 . 1 1 1 A 38 38 GLU C C 38 176.985 176.184 0.801 1
1 369 . 1 1 1 A 39 39 LYS N N 39 121.011 128.955 -7.944 1
1 370 . 1 1 1 A 39 39 LYS H H 39 8.130 8.555 -0.425 1
1 371 . 1 1 1 A 39 39 LYS CA C 39 56.734 57.565 -0.831 1
1 372 . 1 1 1 A 39 39 LYS HA H 39 4.315 4.551 -0.236 1
1 373 . 1 1 1 A 39 39 LYS CB C 39 32.934 35.641 -2.707 1
1 381 . 1 1 1 A 39 39 LYS C C 39 176.838 177.898 -1.060 1
1 386 . 1 1 1 A 40 40 SER N N 40 116.295 114.259 2.036 1
1 387 . 1 1 1 A 40 40 SER H H 40 8.203 8.060 0.143 1
1 388 . 1 1 1 A 40 40 SER CA C 40 58.413 60.836 -2.423 1
1 389 . 1 1 1 A 40 40 SER HA H 40 4.474 4.434 0.040 1
1 390 . 1 1 1 A 40 40 SER CB C 40 63.797 63.309 0.488 1
1 392 . 1 1 1 A 40 40 SER C C 40 174.559 174.137 0.422 1
1 394 . 1 1 1 A 41 41 SER N N 41 117.522 116.245 1.277 1
1 395 . 1 1 1 A 41 41 SER H H 41 8.267 7.855 0.412 1
1 396 . 1 1 1 A 41 41 SER CA C 41 58.400 57.502 0.898 1
1 397 . 1 1 1 A 41 41 SER HA H 41 4.488 4.628 -0.140 1
1 398 . 1 1 1 A 41 41 SER CB C 41 64.016 63.920 0.096 1
1 400 . 1 1 1 A 41 41 SER C C 41 174.474 174.223 0.251 1
1 402 . 1 1 1 A 42 42 GLY N N 42 110.551 113.704 -3.153 1
1 403 . 1 1 1 A 42 42 GLY H H 42 8.215 8.366 -0.151 1
1 404 . 1 1 1 A 42 42 GLY CA C 42 44.645 45.276 -0.631 1
1 405 . 1 1 1 A 42 42 GLY HA3 H 42 4.143 4.196 -0.053 1
1 406 . 1 1 1 A 42 42 GLY C C 42 171.741 170.895 0.846 1
1 407 . 1 1 1 A 42 42 GLY HA2 H 42 4.143 4.195 -0.052 1
1 408 . 1 1 1 A 43 43 PRO CA C 43 63.271 62.518 0.753 1
1 409 . 1 1 1 A 43 43 PRO HA H 43 4.488 4.568 -0.080 1
1 410 . 1 1 1 A 43 43 PRO CB C 43 32.184 33.364 -1.180 1
1 416 . 1 1 1 A 43 43 PRO C C 43 177.380 175.681 1.699 1
1 420 . 1 1 1 A 44 44 SER N N 44 116.453 117.730 -1.277 1
1 421 . 1 1 1 A 44 44 SER H H 44 8.540 8.506 0.034 1
1 1 . 2 1 1 A 8 8 SER CA C 8 58.454 57.111 1.343 1
1 2 . 2 1 1 A 8 8 SER HA H 8 4.440 4.807 -0.367 1
1 3 . 2 1 1 A 8 8 SER CB C 8 63.904 63.992 -0.088 1
1 5 . 2 1 1 A 8 8 SER C C 8 175.126 173.457 1.669 1
1 7 . 2 1 1 A 9 9 GLY N N 9 110.864 114.694 -3.830 1
1 8 . 2 1 1 A 9 9 GLY H H 9 8.493 8.412 0.081 1
1 9 . 2 1 1 A 9 9 GLY CA C 9 45.376 44.873 0.503 1
1 10 . 2 1 1 A 9 9 GLY C C 9 174.128 174.619 -0.491 1
1 11 . 2 1 1 A 9 9 GLY HA2 H 9 3.960 4.215 -0.255 1
1 12 . 2 1 1 A 10 10 GLU N N 10 120.050 120.335 -0.285 1
1 13 . 2 1 1 A 10 10 GLU H H 10 8.255 8.899 -0.644 1
1 14 . 2 1 1 A 10 10 GLU CA C 10 56.893 57.781 -0.888 1
1 15 . 2 1 1 A 10 10 GLU HA H 10 4.236 4.392 -0.156 1
1 16 . 2 1 1 A 10 10 GLU CB C 10 30.417 30.624 -0.207 1
1 20 . 2 1 1 A 10 10 GLU C C 10 176.477 176.872 -0.395 1
1 23 . 2 1 1 A 11 11 ARG N N 11 121.287 119.576 1.711 1
1 24 . 2 1 1 A 11 11 ARG H H 11 8.311 7.552 0.759 1
1 25 . 2 1 1 A 11 11 ARG CA C 11 53.586 55.017 -1.431 1
1 26 . 2 1 1 A 11 11 ARG HA H 11 4.588 4.457 0.131 1
1 27 . 2 1 1 A 11 11 ARG CB C 11 30.618 30.084 0.534 1
1 33 . 2 1 1 A 11 11 ARG C C 11 173.631 176.178 -2.547 1
1 37 . 2 1 1 A 12 12 PRO CA C 12 63.542 64.932 -1.390 1
1 38 . 2 1 1 A 12 12 PRO HA H 12 4.349 4.335 0.014 1
1 39 . 2 1 1 A 12 12 PRO CB C 12 32.216 31.949 0.267 1
1 45 . 2 1 1 A 12 12 PRO C C 12 176.387 175.799 0.588 1
1 49 . 2 1 1 A 13 13 TYR N N 13 119.060 117.954 1.106 1
1 50 . 2 1 1 A 13 13 TYR H H 13 8.102 7.992 0.110 1
1 51 . 2 1 1 A 13 13 TYR CA C 13 56.965 57.131 -0.166 1
1 52 . 2 1 1 A 13 13 TYR HA H 13 4.754 4.798 -0.044 1
1 53 . 2 1 1 A 13 13 TYR CB C 13 38.432 38.531 -0.099 1
1 63 . 2 1 1 A 13 13 TYR C C 13 175.135 175.253 -0.118 1
1 65 . 2 1 1 A 14 14 GLY N N 14 111.562 111.669 -0.107 1
1 66 . 2 1 1 A 14 14 GLY H H 14 8.513 9.002 -0.489 1
1 67 . 2 1 1 A 14 14 GLY CA C 14 45.058 44.962 0.096 1
1 68 . 2 1 1 A 14 14 GLY HA3 H 14 4.932 4.319 0.613 1
1 69 . 2 1 1 A 14 14 GLY C C 14 172.508 173.910 -1.402 1
1 70 . 2 1 1 A 14 14 GLY HA2 H 14 3.638 4.272 -0.634 1
1 71 . 2 1 1 A 15 15 CYS N N 15 124.194 125.587 -1.393 1
1 72 . 2 1 1 A 15 15 CYS H H 15 9.008 8.995 0.013 1
1 73 . 2 1 1 A 15 15 CYS CA C 15 58.959 60.145 -1.186 1
1 74 . 2 1 1 A 15 15 CYS HA H 15 4.695 4.493 0.202 1
1 75 . 2 1 1 A 15 15 CYS CB C 15 30.119 28.514 1.605 1
1 77 . 2 1 1 A 15 15 CYS C C 15 177.447 175.769 1.678 1
1 79 . 2 1 1 A 16 16 ASN N N 16 129.997 125.846 4.151 1
1 80 . 2 1 1 A 16 16 ASN H H 16 9.480 8.815 0.665 1
1 81 . 2 1 1 A 16 16 ASN CA C 16 55.267 53.149 2.118 1
1 82 . 2 1 1 A 16 16 ASN HA H 16 4.625 4.972 -0.347 1
1 83 . 2 1 1 A 16 16 ASN CB C 16 38.516 38.733 -0.217 1
1 88 . 2 1 1 A 16 16 ASN C C 16 175.463 175.677 -0.214 1
1 90 . 2 1 1 A 17 17 GLU N N 17 121.690 118.501 3.189 1
1 91 . 2 1 1 A 17 17 GLU H H 17 9.024 8.021 1.003 1
1 92 . 2 1 1 A 17 17 GLU CA C 17 58.253 57.097 1.156 1
1 93 . 2 1 1 A 17 17 GLU HA H 17 4.239 4.565 -0.326 1
1 94 . 2 1 1 A 17 17 GLU CB C 17 29.490 32.498 -3.008 1
1 98 . 2 1 1 A 17 17 GLU C C 17 177.355 177.851 -0.496 1
1 101 . 2 1 1 A 18 18 CYS N N 18 115.999 114.826 1.173 1
1 102 . 2 1 1 A 18 18 CYS H H 18 8.351 8.049 0.302 1
1 103 . 2 1 1 A 18 18 CYS CA C 18 58.536 59.334 -0.798 1
1 104 . 2 1 1 A 18 18 CYS HA H 18 5.170 4.648 0.522 1
1 105 . 2 1 1 A 18 18 CYS CB C 18 32.295 30.155 2.140 1
1 107 . 2 1 1 A 18 18 CYS C C 18 176.224 175.527 0.697 1
1 109 . 2 1 1 A 19 19 GLY N N 19 112.718 110.038 2.680 1
1 110 . 2 1 1 A 19 19 GLY H H 19 8.032 8.533 -0.501 1
1 111 . 2 1 1 A 19 19 GLY CA C 19 46.253 46.211 0.042 1
1 112 . 2 1 1 A 19 19 GLY HA3 H 19 4.228 4.031 0.197 1
1 113 . 2 1 1 A 19 19 GLY C C 19 174.201 173.897 0.304 1
1 114 . 2 1 1 A 19 19 GLY HA2 H 19 3.901 4.014 -0.113 1
1 115 . 2 1 1 A 20 20 LYS N N 20 122.353 120.257 2.096 1
1 116 . 2 1 1 A 20 20 LYS H H 20 7.856 7.737 0.119 1
1 117 . 2 1 1 A 20 20 LYS CA C 20 57.657 55.124 2.533 1
1 118 . 2 1 1 A 20 20 LYS HA H 20 4.043 4.898 -0.855 1
1 119 . 2 1 1 A 20 20 LYS CB C 20 34.015 35.817 -1.802 1
1 127 . 2 1 1 A 20 20 LYS C C 20 173.954 174.494 -0.540 1
1 132 . 2 1 1 A 21 21 ASN N N 21 117.851 124.771 -6.920 1
1 133 . 2 1 1 A 21 21 ASN H H 21 7.905 8.724 -0.819 1
1 134 . 2 1 1 A 21 21 ASN CA C 21 51.903 51.777 0.126 1
1 135 . 2 1 1 A 21 21 ASN HA H 21 5.337 5.707 -0.370 1
1 136 . 2 1 1 A 21 21 ASN CB C 21 41.671 40.887 0.784 1
1 141 . 2 1 1 A 21 21 ASN C C 21 174.118 174.501 -0.383 1
1 143 . 2 1 1 A 22 22 PHE N N 22 117.132 120.957 -3.825 1
1 144 . 2 1 1 A 22 22 PHE H H 22 8.604 8.833 -0.229 1
1 145 . 2 1 1 A 22 22 PHE CA C 22 57.519 58.990 -1.471 1
1 146 . 2 1 1 A 22 22 PHE HA H 22 4.753 4.797 -0.044 1
1 147 . 2 1 1 A 22 22 PHE CB C 22 43.604 41.470 2.134 1
1 159 . 2 1 1 A 22 22 PHE C C 22 175.478 176.446 -0.968 1
1 161 . 2 1 1 A 23 23 GLY CA C 23 45.805 45.436 0.369 1
1 162 . 2 1 1 A 23 23 GLY HA3 H 23 4.493 4.235 0.258 1
1 163 . 2 1 1 A 23 23 GLY HA2 H 23 4.065 4.090 -0.025 1
1 164 . 2 1 1 A 24 24 ARG N N 24 115.504 119.788 -4.284 1
1 165 . 2 1 1 A 24 24 ARG H H 24 7.280 7.671 -0.391 1
1 166 . 2 1 1 A 24 24 ARG CA C 24 53.903 53.676 0.227 1
1 167 . 2 1 1 A 24 24 ARG HA H 24 4.647 4.446 0.201 1
1 168 . 2 1 1 A 24 24 ARG CB C 24 33.063 32.013 1.050 1
1 177 . 2 1 1 A 25 25 HIS N N 25 112.630 122.598 -9.968 1
1 178 . 2 1 1 A 25 25 HIS H H 25 8.702 8.698 0.004 1
1 179 . 2 1 1 A 25 25 HIS CA C 25 60.282 59.870 0.412 1
1 180 . 2 1 1 A 25 25 HIS HA H 25 3.275 3.386 -0.111 1
1 181 . 2 1 1 A 25 25 HIS CB C 25 30.569 30.161 0.408 1
1 188 . 2 1 1 A 26 26 SER CA C 26 61.201 62.465 -1.264 1
1 189 . 2 1 1 A 26 26 SER HA H 26 3.832 3.938 -0.106 1
1 190 . 2 1 1 A 26 26 SER CB C 26 61.402 62.910 -1.508 1
1 192 . 2 1 1 A 26 26 SER C C 26 176.998 176.523 0.475 1
1 194 . 2 1 1 A 27 27 HIS N N 27 120.791 119.287 1.504 1
1 195 . 2 1 1 A 27 27 HIS H H 27 6.716 8.041 -1.325 1
1 196 . 2 1 1 A 27 27 HIS CA C 27 56.885 58.921 -2.036 1
1 197 . 2 1 1 A 27 27 HIS HA H 27 4.438 4.083 0.355 1
1 198 . 2 1 1 A 27 27 HIS CB C 27 31.710 29.903 1.807 1
1 204 . 2 1 1 A 27 27 HIS C C 27 178.259 177.129 1.130 1
1 206 . 2 1 1 A 28 28 LEU N N 28 121.891 119.919 1.972 1
1 207 . 2 1 1 A 28 28 LEU H H 28 7.048 7.405 -0.357 1
1 208 . 2 1 1 A 28 28 LEU CA C 28 57.858 57.925 -0.067 1
1 209 . 2 1 1 A 28 28 LEU HA H 28 3.316 3.362 -0.046 1
1 210 . 2 1 1 A 28 28 LEU CB C 28 40.235 41.387 -1.152 1
1 222 . 2 1 1 A 28 28 LEU C C 28 177.276 178.429 -1.153 1
1 224 . 2 1 1 A 29 29 ILE N N 29 118.247 119.674 -1.427 1
1 225 . 2 1 1 A 29 29 ILE H H 29 7.890 7.782 0.108 1
1 226 . 2 1 1 A 29 29 ILE CA C 29 63.737 65.531 -1.794 1
1 227 . 2 1 1 A 29 29 ILE HA H 29 3.547 3.399 0.148 1
1 228 . 2 1 1 A 29 29 ILE CB C 29 36.186 37.614 -1.428 1
1 240 . 2 1 1 A 29 29 ILE C C 29 178.830 177.940 0.890 1
1 242 . 2 1 1 A 30 30 GLU N N 30 117.991 120.410 -2.419 1
1 243 . 2 1 1 A 30 30 GLU H H 30 7.499 8.461 -0.962 1
1 244 . 2 1 1 A 30 30 GLU CA C 30 59.104 59.617 -0.513 1
1 245 . 2 1 1 A 30 30 GLU HA H 30 3.959 3.889 0.070 1
1 246 . 2 1 1 A 30 30 GLU CB C 30 29.435 29.295 0.140 1
1 250 . 2 1 1 A 30 30 GLU C C 30 178.622 178.470 0.152 1
1 253 . 2 1 1 A 31 31 HIS N N 31 119.737 119.377 0.360 1
1 254 . 2 1 1 A 31 31 HIS H H 31 7.541 7.414 0.127 1
1 255 . 2 1 1 A 31 31 HIS CA C 31 59.599 59.750 -0.151 1
1 256 . 2 1 1 A 31 31 HIS HA H 31 4.113 4.121 -0.008 1
1 257 . 2 1 1 A 31 31 HIS CB C 31 28.503 29.891 -1.388 1
1 263 . 2 1 1 A 31 31 HIS C C 31 177.036 176.861 0.175 1
1 265 . 2 1 1 A 32 32 LEU N N 32 118.963 119.266 -0.303 1
1 266 . 2 1 1 A 32 32 LEU H H 32 8.669 8.202 0.467 1
1 267 . 2 1 1 A 32 32 LEU CA C 32 58.231 57.756 0.475 1
1 268 . 2 1 1 A 32 32 LEU HA H 32 3.868 3.606 0.262 1
1 269 . 2 1 1 A 32 32 LEU CB C 32 41.914 41.483 0.431 1
1 281 . 2 1 1 A 32 32 LEU C C 32 179.605 179.120 0.485 1
1 283 . 2 1 1 A 33 33 LYS N N 33 117.980 118.708 -0.728 1
1 284 . 2 1 1 A 33 33 LYS H H 33 7.426 7.636 -0.210 1
1 285 . 2 1 1 A 33 33 LYS CA C 33 59.259 60.228 -0.969 1
1 286 . 2 1 1 A 33 33 LYS HA H 33 3.964 3.799 0.165 1
1 287 . 2 1 1 A 33 33 LYS CB C 33 32.436 32.117 0.319 1
1 295 . 2 1 1 A 33 33 LYS C C 33 178.878 179.465 -0.587 1
1 300 . 2 1 1 A 34 34 ARG N N 34 117.379 119.415 -2.036 1
1 301 . 2 1 1 A 34 34 ARG H H 34 7.659 8.012 -0.353 1
1 302 . 2 1 1 A 34 34 ARG CA C 34 57.923 59.572 -1.649 1
1 303 . 2 1 1 A 34 34 ARG HA H 34 4.030 3.889 0.141 1
1 304 . 2 1 1 A 34 34 ARG CB C 34 29.157 29.803 -0.646 1
1 310 . 2 1 1 A 34 34 ARG C C 34 178.055 178.757 -0.702 1
1 314 . 2 1 1 A 35 35 HIS N N 35 115.913 118.159 -2.246 1
1 315 . 2 1 1 A 35 35 HIS H H 35 7.257 7.709 -0.452 1
1 316 . 2 1 1 A 35 35 HIS CA C 35 56.578 58.629 -2.051 1
1 317 . 2 1 1 A 35 35 HIS HA H 35 4.629 4.358 0.271 1
1 318 . 2 1 1 A 35 35 HIS CB C 35 28.654 29.584 -0.930 1
1 324 . 2 1 1 A 35 35 HIS C C 35 175.953 176.412 -0.459 1
1 326 . 2 1 1 A 36 36 PHE N N 36 119.384 116.627 2.757 1
1 327 . 2 1 1 A 36 36 PHE H H 36 7.760 8.030 -0.270 1
1 328 . 2 1 1 A 36 36 PHE CA C 36 58.890 56.324 2.566 1
1 329 . 2 1 1 A 36 36 PHE HA H 36 4.543 4.690 -0.147 1
1 330 . 2 1 1 A 36 36 PHE CB C 36 39.026 37.268 1.758 1
1 342 . 2 1 1 A 36 36 PHE C C 36 176.549 174.547 2.002 1
1 344 . 2 1 1 A 37 37 ARG N N 37 121.608 121.390 0.218 1
1 345 . 2 1 1 A 37 37 ARG H H 37 8.099 7.569 0.530 1
1 346 . 2 1 1 A 37 37 ARG CA C 37 56.871 53.895 2.976 1
1 347 . 2 1 1 A 37 37 ARG HA H 37 4.231 5.133 -0.902 1
1 348 . 2 1 1 A 37 37 ARG CB C 37 30.858 33.847 -2.989 1
1 354 . 2 1 1 A 37 37 ARG C C 37 176.808 174.763 2.045 1
1 358 . 2 1 1 A 38 38 GLU N N 38 120.749 124.103 -3.354 1
1 359 . 2 1 1 A 38 38 GLU H H 38 8.205 8.817 -0.612 1
1 360 . 2 1 1 A 38 38 GLU CA C 38 57.166 55.287 1.879 1
1 361 . 2 1 1 A 38 38 GLU HA H 38 4.194 4.765 -0.571 1
1 362 . 2 1 1 A 38 38 GLU CB C 38 30.047 30.604 -0.557 1
1 366 . 2 1 1 A 38 38 GLU C C 38 176.985 176.661 0.324 1
1 369 . 2 1 1 A 39 39 LYS N N 39 121.011 128.117 -7.106 1
1 370 . 2 1 1 A 39 39 LYS H H 39 8.130 8.734 -0.604 1
1 371 . 2 1 1 A 39 39 LYS CA C 39 56.734 57.204 -0.470 1
1 372 . 2 1 1 A 39 39 LYS HA H 39 4.315 4.199 0.116 1
1 373 . 2 1 1 A 39 39 LYS CB C 39 32.934 33.193 -0.259 1
1 381 . 2 1 1 A 39 39 LYS C C 39 176.838 175.903 0.935 1
1 386 . 2 1 1 A 40 40 SER N N 40 116.295 113.545 2.750 1
1 387 . 2 1 1 A 40 40 SER H H 40 8.203 8.164 0.039 1
1 388 . 2 1 1 A 40 40 SER CA C 40 58.413 59.027 -0.614 1
1 389 . 2 1 1 A 40 40 SER HA H 40 4.474 4.239 0.235 1
1 390 . 2 1 1 A 40 40 SER CB C 40 63.797 61.650 2.147 1
1 392 . 2 1 1 A 40 40 SER C C 40 174.559 174.294 0.265 1
1 394 . 2 1 1 A 41 41 SER N N 41 117.522 113.721 3.801 1
1 395 . 2 1 1 A 41 41 SER H H 41 8.267 8.564 -0.297 1
1 396 . 2 1 1 A 41 41 SER CA C 41 58.400 59.087 -0.687 1
1 397 . 2 1 1 A 41 41 SER HA H 41 4.488 4.507 -0.019 1
1 398 . 2 1 1 A 41 41 SER CB C 41 64.016 64.712 -0.696 1
1 400 . 2 1 1 A 41 41 SER C C 41 174.474 174.768 -0.294 1
1 402 . 2 1 1 A 42 42 GLY N N 42 110.551 108.229 2.322 1
1 403 . 2 1 1 A 42 42 GLY H H 42 8.215 7.889 0.326 1
1 404 . 2 1 1 A 42 42 GLY CA C 42 44.645 46.207 -1.562 1
1 405 . 2 1 1 A 42 42 GLY HA3 H 42 4.143 4.002 0.141 1
1 406 . 2 1 1 A 42 42 GLY C C 42 171.741 175.102 -3.361 1
1 407 . 2 1 1 A 42 42 GLY HA2 H 42 4.143 4.001 0.142 1
1 408 . 2 1 1 A 43 43 PRO CA C 43 63.271 64.685 -1.414 1
1 409 . 2 1 1 A 43 43 PRO HA H 43 4.488 4.470 0.018 1
1 410 . 2 1 1 A 43 43 PRO CB C 43 32.184 32.215 -0.031 1
1 416 . 2 1 1 A 43 43 PRO C C 43 177.380 176.281 1.099 1
1 420 . 2 1 1 A 44 44 SER N N 44 116.453 112.603 3.850 1
1 421 . 2 1 1 A 44 44 SER H H 44 8.540 7.639 0.901 1
1 1 . 3 1 1 A 8 8 SER CA C 8 58.454 59.289 -0.835 1
1 2 . 3 1 1 A 8 8 SER HA H 8 4.440 4.090 0.350 1
1 3 . 3 1 1 A 8 8 SER CB C 8 63.904 62.134 1.770 1
1 5 . 3 1 1 A 8 8 SER C C 8 175.126 173.346 1.780 1
1 7 . 3 1 1 A 9 9 GLY N N 9 110.864 106.320 4.544 1
1 8 . 3 1 1 A 9 9 GLY H H 9 8.493 8.255 0.238 1
1 9 . 3 1 1 A 9 9 GLY CA C 9 45.376 43.965 1.411 1
1 10 . 3 1 1 A 9 9 GLY C C 9 174.128 172.276 1.852 1
1 11 . 3 1 1 A 9 9 GLY HA2 H 9 3.960 4.034 -0.074 1
1 12 . 3 1 1 A 10 10 GLU N N 10 120.050 120.755 -0.705 1
1 13 . 3 1 1 A 10 10 GLU H H 10 8.255 8.607 -0.352 1
1 14 . 3 1 1 A 10 10 GLU CA C 10 56.893 55.178 1.715 1
1 15 . 3 1 1 A 10 10 GLU HA H 10 4.236 4.703 -0.467 1
1 16 . 3 1 1 A 10 10 GLU CB C 10 30.417 30.088 0.329 1
1 20 . 3 1 1 A 10 10 GLU C C 10 176.477 175.411 1.066 1
1 23 . 3 1 1 A 11 11 ARG N N 11 121.287 125.652 -4.365 1
1 24 . 3 1 1 A 11 11 ARG H H 11 8.311 8.425 -0.114 1
1 25 . 3 1 1 A 11 11 ARG CA C 11 53.586 53.714 -0.128 1
1 26 . 3 1 1 A 11 11 ARG HA H 11 4.588 5.015 -0.427 1
1 27 . 3 1 1 A 11 11 ARG CB C 11 30.618 30.851 -0.233 1
1 33 . 3 1 1 A 11 11 ARG C C 11 173.631 174.775 -1.144 1
1 37 . 3 1 1 A 12 12 PRO CA C 12 63.542 64.311 -0.769 1
1 38 . 3 1 1 A 12 12 PRO HA H 12 4.349 4.593 -0.244 1
1 39 . 3 1 1 A 12 12 PRO CB C 12 32.216 31.829 0.387 1
1 45 . 3 1 1 A 12 12 PRO C C 12 176.387 176.318 0.069 1
1 49 . 3 1 1 A 13 13 TYR N N 13 119.060 117.561 1.499 1
1 50 . 3 1 1 A 13 13 TYR H H 13 8.102 7.776 0.326 1
1 51 . 3 1 1 A 13 13 TYR CA C 13 56.965 56.573 0.392 1
1 52 . 3 1 1 A 13 13 TYR HA H 13 4.754 4.846 -0.092 1
1 53 . 3 1 1 A 13 13 TYR CB C 13 38.432 36.678 1.754 1
1 63 . 3 1 1 A 13 13 TYR C C 13 175.135 175.919 -0.784 1
1 65 . 3 1 1 A 14 14 GLY N N 14 111.562 108.538 3.024 1
1 66 . 3 1 1 A 14 14 GLY H H 14 8.513 8.067 0.446 1
1 67 . 3 1 1 A 14 14 GLY CA C 14 45.058 45.288 -0.230 1
1 68 . 3 1 1 A 14 14 GLY HA3 H 14 4.932 4.094 0.838 1
1 69 . 3 1 1 A 14 14 GLY C C 14 172.508 172.217 0.291 1
1 70 . 3 1 1 A 14 14 GLY HA2 H 14 3.638 4.094 -0.456 1
1 71 . 3 1 1 A 15 15 CYS N N 15 124.194 119.988 4.206 1
1 72 . 3 1 1 A 15 15 CYS H H 15 9.008 8.855 0.153 1
1 73 . 3 1 1 A 15 15 CYS CA C 15 58.959 57.615 1.344 1
1 74 . 3 1 1 A 15 15 CYS HA H 15 4.695 5.208 -0.513 1
1 75 . 3 1 1 A 15 15 CYS CB C 15 30.119 30.480 -0.361 1
1 77 . 3 1 1 A 15 15 CYS C C 15 177.447 175.297 2.150 1
1 79 . 3 1 1 A 16 16 ASN N N 16 129.997 125.872 4.125 1
1 80 . 3 1 1 A 16 16 ASN H H 16 9.480 9.101 0.379 1
1 81 . 3 1 1 A 16 16 ASN CA C 16 55.267 53.077 2.190 1
1 82 . 3 1 1 A 16 16 ASN HA H 16 4.625 4.937 -0.312 1
1 83 . 3 1 1 A 16 16 ASN CB C 16 38.516 38.797 -0.281 1
1 88 . 3 1 1 A 16 16 ASN C C 16 175.463 175.596 -0.133 1
1 90 . 3 1 1 A 17 17 GLU N N 17 121.690 118.294 3.396 1
1 91 . 3 1 1 A 17 17 GLU H H 17 9.024 8.019 1.005 1
1 92 . 3 1 1 A 17 17 GLU CA C 17 58.253 57.070 1.183 1
1 93 . 3 1 1 A 17 17 GLU HA H 17 4.239 4.484 -0.245 1
1 94 . 3 1 1 A 17 17 GLU CB C 17 29.490 31.971 -2.481 1
1 98 . 3 1 1 A 17 17 GLU C C 17 177.355 177.829 -0.474 1
1 101 . 3 1 1 A 18 18 CYS N N 18 115.999 114.794 1.205 1
1 102 . 3 1 1 A 18 18 CYS H H 18 8.351 7.992 0.359 1
1 103 . 3 1 1 A 18 18 CYS CA C 18 58.536 59.528 -0.992 1
1 104 . 3 1 1 A 18 18 CYS HA H 18 5.170 4.576 0.594 1
1 105 . 3 1 1 A 18 18 CYS CB C 18 32.295 29.699 2.596 1
1 107 . 3 1 1 A 18 18 CYS C C 18 176.224 175.315 0.909 1
1 109 . 3 1 1 A 19 19 GLY N N 19 112.718 109.445 3.273 1
1 110 . 3 1 1 A 19 19 GLY H H 19 8.032 8.000 0.032 1
1 111 . 3 1 1 A 19 19 GLY CA C 19 46.253 45.299 0.954 1
1 112 . 3 1 1 A 19 19 GLY HA3 H 19 4.228 4.055 0.173 1
1 113 . 3 1 1 A 19 19 GLY C C 19 174.201 173.952 0.249 1
1 114 . 3 1 1 A 19 19 GLY HA2 H 19 3.901 4.050 -0.149 1
1 115 . 3 1 1 A 20 20 LYS N N 20 122.353 119.162 3.191 1
1 116 . 3 1 1 A 20 20 LYS H H 20 7.856 7.779 0.077 1
1 117 . 3 1 1 A 20 20 LYS CA C 20 57.657 54.146 3.511 1
1 118 . 3 1 1 A 20 20 LYS HA H 20 4.043 4.644 -0.601 1
1 119 . 3 1 1 A 20 20 LYS CB C 20 34.015 35.392 -1.377 1
1 127 . 3 1 1 A 20 20 LYS C C 20 173.954 174.817 -0.863 1
1 132 . 3 1 1 A 21 21 ASN N N 21 117.851 116.114 1.737 1
1 133 . 3 1 1 A 21 21 ASN H H 21 7.905 8.097 -0.192 1
1 134 . 3 1 1 A 21 21 ASN CA C 21 51.903 51.602 0.301 1
1 135 . 3 1 1 A 21 21 ASN HA H 21 5.337 5.307 0.030 1
1 136 . 3 1 1 A 21 21 ASN CB C 21 41.671 42.126 -0.455 1
1 141 . 3 1 1 A 21 21 ASN C C 21 174.118 172.796 1.322 1
1 143 . 3 1 1 A 22 22 PHE N N 22 117.132 116.326 0.806 1
1 144 . 3 1 1 A 22 22 PHE H H 22 8.604 8.766 -0.162 1
1 145 . 3 1 1 A 22 22 PHE CA C 22 57.519 56.755 0.764 1
1 146 . 3 1 1 A 22 22 PHE HA H 22 4.753 4.855 -0.102 1
1 147 . 3 1 1 A 22 22 PHE CB C 22 43.604 43.237 0.367 1
1 159 . 3 1 1 A 22 22 PHE C C 22 175.478 175.910 -0.432 1
1 161 . 3 1 1 A 23 23 GLY CA C 23 45.805 46.771 -0.966 1
1 162 . 3 1 1 A 23 23 GLY HA3 H 23 4.493 3.885 0.608 1
1 163 . 3 1 1 A 23 23 GLY HA2 H 23 4.065 3.875 0.190 1
1 164 . 3 1 1 A 24 24 ARG N N 24 115.504 119.976 -4.472 1
1 165 . 3 1 1 A 24 24 ARG H H 24 7.280 7.657 -0.377 1
1 166 . 3 1 1 A 24 24 ARG CA C 24 53.903 55.146 -1.243 1
1 167 . 3 1 1 A 24 24 ARG HA H 24 4.647 4.360 0.287 1
1 168 . 3 1 1 A 24 24 ARG CB C 24 33.063 30.942 2.121 1
1 177 . 3 1 1 A 25 25 HIS N N 25 112.630 122.763 -10.133 1
1 178 . 3 1 1 A 25 25 HIS H H 25 8.702 8.813 -0.111 1
1 179 . 3 1 1 A 25 25 HIS CA C 25 60.282 59.471 0.811 1
1 180 . 3 1 1 A 25 25 HIS HA H 25 3.275 3.863 -0.588 1
1 181 . 3 1 1 A 25 25 HIS CB C 25 30.569 30.242 0.327 1
1 188 . 3 1 1 A 26 26 SER CA C 26 61.201 62.391 -1.190 1
1 189 . 3 1 1 A 26 26 SER HA H 26 3.832 3.723 0.109 1
1 190 . 3 1 1 A 26 26 SER CB C 26 61.402 63.254 -1.852 1
1 192 . 3 1 1 A 26 26 SER C C 26 176.998 175.616 1.382 1
1 194 . 3 1 1 A 27 27 HIS N N 27 120.791 121.740 -0.949 1
1 195 . 3 1 1 A 27 27 HIS H H 27 6.716 7.920 -1.204 1
1 196 . 3 1 1 A 27 27 HIS CA C 27 56.885 60.053 -3.168 1
1 197 . 3 1 1 A 27 27 HIS HA H 27 4.438 3.920 0.518 1
1 198 . 3 1 1 A 27 27 HIS CB C 27 31.710 29.575 2.135 1
1 204 . 3 1 1 A 27 27 HIS C C 27 178.259 175.867 2.392 1
1 206 . 3 1 1 A 28 28 LEU N N 28 121.891 119.506 2.385 1
1 207 . 3 1 1 A 28 28 LEU H H 28 7.048 7.669 -0.621 1
1 208 . 3 1 1 A 28 28 LEU CA C 28 57.858 57.878 -0.020 1
1 209 . 3 1 1 A 28 28 LEU HA H 28 3.316 3.465 -0.149 1
1 210 . 3 1 1 A 28 28 LEU CB C 28 40.235 41.539 -1.304 1
1 222 . 3 1 1 A 28 28 LEU C C 28 177.276 178.397 -1.121 1
1 224 . 3 1 1 A 29 29 ILE N N 29 118.247 119.534 -1.287 1
1 225 . 3 1 1 A 29 29 ILE H H 29 7.890 7.892 -0.002 1
1 226 . 3 1 1 A 29 29 ILE CA C 29 63.737 65.565 -1.828 1
1 227 . 3 1 1 A 29 29 ILE HA H 29 3.547 3.431 0.116 1
1 228 . 3 1 1 A 29 29 ILE CB C 29 36.186 37.731 -1.545 1
1 240 . 3 1 1 A 29 29 ILE C C 29 178.830 177.761 1.069 1
1 242 . 3 1 1 A 30 30 GLU N N 30 117.991 119.200 -1.209 1
1 243 . 3 1 1 A 30 30 GLU H H 30 7.499 7.844 -0.345 1
1 244 . 3 1 1 A 30 30 GLU CA C 30 59.104 59.429 -0.325 1
1 245 . 3 1 1 A 30 30 GLU HA H 30 3.959 3.878 0.081 1
1 246 . 3 1 1 A 30 30 GLU CB C 30 29.435 29.303 0.132 1
1 250 . 3 1 1 A 30 30 GLU C C 30 178.622 178.828 -0.206 1
1 253 . 3 1 1 A 31 31 HIS N N 31 119.737 120.053 -0.316 1
1 254 . 3 1 1 A 31 31 HIS H H 31 7.541 7.850 -0.309 1
1 255 . 3 1 1 A 31 31 HIS CA C 31 59.599 59.449 0.150 1
1 256 . 3 1 1 A 31 31 HIS HA H 31 4.113 3.916 0.197 1
1 257 . 3 1 1 A 31 31 HIS CB C 31 28.503 30.075 -1.572 1
1 263 . 3 1 1 A 31 31 HIS C C 31 177.036 176.362 0.674 1
1 265 . 3 1 1 A 32 32 LEU N N 32 118.963 119.351 -0.388 1
1 266 . 3 1 1 A 32 32 LEU H H 32 8.669 7.575 1.094 1
1 267 . 3 1 1 A 32 32 LEU CA C 32 58.231 57.333 0.898 1
1 268 . 3 1 1 A 32 32 LEU HA H 32 3.868 3.826 0.042 1
1 269 . 3 1 1 A 32 32 LEU CB C 32 41.914 41.616 0.298 1
1 281 . 3 1 1 A 32 32 LEU C C 32 179.605 178.807 0.798 1
1 283 . 3 1 1 A 33 33 LYS N N 33 117.980 117.183 0.797 1
1 284 . 3 1 1 A 33 33 LYS H H 33 7.426 8.310 -0.884 1
1 285 . 3 1 1 A 33 33 LYS CA C 33 59.259 60.271 -1.012 1
1 286 . 3 1 1 A 33 33 LYS HA H 33 3.964 3.837 0.127 1
1 287 . 3 1 1 A 33 33 LYS CB C 33 32.436 32.215 0.221 1
1 295 . 3 1 1 A 33 33 LYS C C 33 178.878 179.373 -0.495 1
1 300 . 3 1 1 A 34 34 ARG N N 34 117.379 119.889 -2.510 1
1 301 . 3 1 1 A 34 34 ARG H H 34 7.659 7.285 0.374 1
1 302 . 3 1 1 A 34 34 ARG CA C 34 57.923 59.250 -1.327 1
1 303 . 3 1 1 A 34 34 ARG HA H 34 4.030 3.934 0.096 1
1 304 . 3 1 1 A 34 34 ARG CB C 34 29.157 29.738 -0.581 1
1 310 . 3 1 1 A 34 34 ARG C C 34 178.055 178.820 -0.765 1
1 314 . 3 1 1 A 35 35 HIS N N 35 115.913 118.408 -2.495 1
1 315 . 3 1 1 A 35 35 HIS H H 35 7.257 7.665 -0.408 1
1 316 . 3 1 1 A 35 35 HIS CA C 35 56.578 59.060 -2.482 1
1 317 . 3 1 1 A 35 35 HIS HA H 35 4.629 4.177 0.452 1
1 318 . 3 1 1 A 35 35 HIS CB C 35 28.654 30.098 -1.444 1
1 324 . 3 1 1 A 35 35 HIS C C 35 175.953 177.822 -1.869 1
1 326 . 3 1 1 A 36 36 PHE N N 36 119.384 120.864 -1.480 1
1 327 . 3 1 1 A 36 36 PHE H H 36 7.760 8.295 -0.535 1
1 328 . 3 1 1 A 36 36 PHE CA C 36 58.890 62.057 -3.167 1
1 329 . 3 1 1 A 36 36 PHE HA H 36 4.543 4.009 0.534 1
1 330 . 3 1 1 A 36 36 PHE CB C 36 39.026 39.085 -0.059 1
1 342 . 3 1 1 A 36 36 PHE C C 36 176.549 176.620 -0.071 1
1 344 . 3 1 1 A 37 37 ARG N N 37 121.608 120.288 1.320 1
1 345 . 3 1 1 A 37 37 ARG H H 37 8.099 7.645 0.454 1
1 346 . 3 1 1 A 37 37 ARG CA C 37 56.871 56.590 0.281 1
1 347 . 3 1 1 A 37 37 ARG HA H 37 4.231 4.175 0.056 1
1 348 . 3 1 1 A 37 37 ARG CB C 37 30.858 30.573 0.285 1
1 354 . 3 1 1 A 37 37 ARG C C 37 176.808 176.229 0.579 1
1 358 . 3 1 1 A 38 38 GLU N N 38 120.749 125.116 -4.367 1
1 359 . 3 1 1 A 38 38 GLU H H 38 8.205 8.402 -0.197 1
1 360 . 3 1 1 A 38 38 GLU CA C 38 57.166 57.121 0.045 1
1 361 . 3 1 1 A 38 38 GLU HA H 38 4.194 4.148 0.046 1
1 362 . 3 1 1 A 38 38 GLU CB C 38 30.047 29.735 0.312 1
1 366 . 3 1 1 A 38 38 GLU C C 38 176.985 176.396 0.589 1
1 369 . 3 1 1 A 39 39 LYS N N 39 121.011 125.676 -4.665 1
1 370 . 3 1 1 A 39 39 LYS H H 39 8.130 8.429 -0.299 1
1 371 . 3 1 1 A 39 39 LYS CA C 39 56.734 55.309 1.425 1
1 372 . 3 1 1 A 39 39 LYS HA H 39 4.315 4.815 -0.500 1
1 373 . 3 1 1 A 39 39 LYS CB C 39 32.934 36.114 -3.180 1
1 381 . 3 1 1 A 39 39 LYS C C 39 176.838 175.120 1.718 1
1 386 . 3 1 1 A 40 40 SER N N 40 116.295 118.310 -2.015 1
1 387 . 3 1 1 A 40 40 SER H H 40 8.203 8.567 -0.364 1
1 388 . 3 1 1 A 40 40 SER CA C 40 58.413 57.932 0.481 1
1 389 . 3 1 1 A 40 40 SER HA H 40 4.474 4.578 -0.104 1
1 390 . 3 1 1 A 40 40 SER CB C 40 63.797 62.750 1.047 1
1 392 . 3 1 1 A 40 40 SER C C 40 174.559 173.560 0.999 1
1 394 . 3 1 1 A 41 41 SER N N 41 117.522 116.553 0.969 1
1 395 . 3 1 1 A 41 41 SER H H 41 8.267 7.650 0.617 1
1 396 . 3 1 1 A 41 41 SER CA C 41 58.400 57.562 0.838 1
1 397 . 3 1 1 A 41 41 SER HA H 41 4.488 4.723 -0.235 1
1 398 . 3 1 1 A 41 41 SER CB C 41 64.016 65.736 -1.720 1
1 400 . 3 1 1 A 41 41 SER C C 41 174.474 174.797 -0.323 1
1 402 . 3 1 1 A 42 42 GLY N N 42 110.551 114.524 -3.973 1
1 403 . 3 1 1 A 42 42 GLY H H 42 8.215 8.899 -0.684 1
1 404 . 3 1 1 A 42 42 GLY CA C 42 44.645 46.988 -2.343 1
1 405 . 3 1 1 A 42 42 GLY HA3 H 42 4.143 3.833 0.310 1
1 406 . 3 1 1 A 42 42 GLY C C 42 171.741 175.577 -3.836 1
1 407 . 3 1 1 A 42 42 GLY HA2 H 42 4.143 3.800 0.343 1
1 408 . 3 1 1 A 43 43 PRO CA C 43 63.271 64.804 -1.533 1
1 409 . 3 1 1 A 43 43 PRO HA H 43 4.488 4.435 0.053 1
1 410 . 3 1 1 A 43 43 PRO CB C 43 32.184 32.086 0.098 1
1 416 . 3 1 1 A 43 43 PRO C C 43 177.380 176.519 0.861 1
1 420 . 3 1 1 A 44 44 SER N N 44 116.453 113.702 2.751 1
1 421 . 3 1 1 A 44 44 SER H H 44 8.540 7.646 0.894 1
1 1 . 4 1 1 A 8 8 SER CA C 8 58.454 55.909 2.545 1
1 2 . 4 1 1 A 8 8 SER HA H 8 4.440 5.253 -0.813 1
1 3 . 4 1 1 A 8 8 SER CB C 8 63.904 66.569 -2.665 1
1 5 . 4 1 1 A 8 8 SER C C 8 175.126 173.479 1.647 1
1 7 . 4 1 1 A 9 9 GLY N N 9 110.864 111.622 -0.758 1
1 8 . 4 1 1 A 9 9 GLY H H 9 8.493 8.736 -0.243 1
1 9 . 4 1 1 A 9 9 GLY CA C 9 45.376 45.417 -0.041 1
1 10 . 4 1 1 A 9 9 GLY C C 9 174.128 174.269 -0.141 1
1 11 . 4 1 1 A 9 9 GLY HA2 H 9 3.960 4.039 -0.079 1
1 12 . 4 1 1 A 10 10 GLU N N 10 120.050 123.904 -3.854 1
1 13 . 4 1 1 A 10 10 GLU H H 10 8.255 8.711 -0.456 1
1 14 . 4 1 1 A 10 10 GLU CA C 10 56.893 57.799 -0.906 1
1 15 . 4 1 1 A 10 10 GLU HA H 10 4.236 4.414 -0.178 1
1 16 . 4 1 1 A 10 10 GLU CB C 10 30.417 30.504 -0.087 1
1 20 . 4 1 1 A 10 10 GLU C C 10 176.477 177.099 -0.622 1
1 23 . 4 1 1 A 11 11 ARG N N 11 121.287 119.677 1.610 1
1 24 . 4 1 1 A 11 11 ARG H H 11 8.311 7.695 0.616 1
1 25 . 4 1 1 A 11 11 ARG CA C 11 53.586 54.987 -1.401 1
1 26 . 4 1 1 A 11 11 ARG HA H 11 4.588 4.375 0.213 1
1 27 . 4 1 1 A 11 11 ARG CB C 11 30.618 30.036 0.582 1
1 33 . 4 1 1 A 11 11 ARG C C 11 173.631 175.917 -2.286 1
1 37 . 4 1 1 A 12 12 PRO CA C 12 63.542 63.966 -0.424 1
1 38 . 4 1 1 A 12 12 PRO HA H 12 4.349 4.296 0.053 1
1 39 . 4 1 1 A 12 12 PRO CB C 12 32.216 31.182 1.034 1
1 45 . 4 1 1 A 12 12 PRO C C 12 176.387 175.719 0.668 1
1 49 . 4 1 1 A 13 13 TYR N N 13 119.060 118.482 0.578 1
1 50 . 4 1 1 A 13 13 TYR H H 13 8.102 7.505 0.597 1
1 51 . 4 1 1 A 13 13 TYR CA C 13 56.965 56.036 0.929 1
1 52 . 4 1 1 A 13 13 TYR HA H 13 4.754 5.203 -0.449 1
1 53 . 4 1 1 A 13 13 TYR CB C 13 38.432 39.882 -1.450 1
1 63 . 4 1 1 A 13 13 TYR C C 13 175.135 174.691 0.444 1
1 65 . 4 1 1 A 14 14 GLY N N 14 111.562 111.044 0.518 1
1 66 . 4 1 1 A 14 14 GLY H H 14 8.513 8.941 -0.428 1
1 67 . 4 1 1 A 14 14 GLY CA C 14 45.058 44.680 0.378 1
1 68 . 4 1 1 A 14 14 GLY HA3 H 14 4.932 4.372 0.560 1
1 69 . 4 1 1 A 14 14 GLY C C 14 172.508 172.087 0.421 1
1 70 . 4 1 1 A 14 14 GLY HA2 H 14 3.638 4.367 -0.729 1
1 71 . 4 1 1 A 15 15 CYS N N 15 124.194 122.324 1.870 1
1 72 . 4 1 1 A 15 15 CYS H H 15 9.008 8.614 0.394 1
1 73 . 4 1 1 A 15 15 CYS CA C 15 58.959 57.883 1.076 1
1 74 . 4 1 1 A 15 15 CYS HA H 15 4.695 4.900 -0.205 1
1 75 . 4 1 1 A 15 15 CYS CB C 15 30.119 29.837 0.282 1
1 77 . 4 1 1 A 15 15 CYS C C 15 177.447 175.085 2.362 1
1 79 . 4 1 1 A 16 16 ASN N N 16 129.997 126.151 3.846 1
1 80 . 4 1 1 A 16 16 ASN H H 16 9.480 8.902 0.578 1
1 81 . 4 1 1 A 16 16 ASN CA C 16 55.267 55.616 -0.349 1
1 82 . 4 1 1 A 16 16 ASN HA H 16 4.625 4.515 0.110 1
1 83 . 4 1 1 A 16 16 ASN CB C 16 38.516 38.599 -0.083 1
1 88 . 4 1 1 A 16 16 ASN C C 16 175.463 177.118 -1.655 1
1 90 . 4 1 1 A 17 17 GLU N N 17 121.690 119.651 2.039 1
1 91 . 4 1 1 A 17 17 GLU H H 17 9.024 8.295 0.729 1
1 92 . 4 1 1 A 17 17 GLU CA C 17 58.253 59.910 -1.657 1
1 93 . 4 1 1 A 17 17 GLU HA H 17 4.239 3.973 0.266 1
1 94 . 4 1 1 A 17 17 GLU CB C 17 29.490 29.367 0.123 1
1 98 . 4 1 1 A 17 17 GLU C C 17 177.355 178.201 -0.846 1
1 101 . 4 1 1 A 18 18 CYS N N 18 115.999 114.785 1.214 1
1 102 . 4 1 1 A 18 18 CYS H H 18 8.351 7.849 0.502 1
1 103 . 4 1 1 A 18 18 CYS CA C 18 58.536 59.654 -1.118 1
1 104 . 4 1 1 A 18 18 CYS HA H 18 5.170 4.623 0.547 1
1 105 . 4 1 1 A 18 18 CYS CB C 18 32.295 29.793 2.502 1
1 107 . 4 1 1 A 18 18 CYS C C 18 176.224 175.439 0.785 1
1 109 . 4 1 1 A 19 19 GLY N N 19 112.718 110.011 2.707 1
1 110 . 4 1 1 A 19 19 GLY H H 19 8.032 8.368 -0.336 1
1 111 . 4 1 1 A 19 19 GLY CA C 19 46.253 45.772 0.481 1
1 112 . 4 1 1 A 19 19 GLY HA3 H 19 4.228 4.067 0.161 1
1 113 . 4 1 1 A 19 19 GLY C C 19 174.201 174.167 0.034 1
1 114 . 4 1 1 A 19 19 GLY HA2 H 19 3.901 4.066 -0.165 1
1 115 . 4 1 1 A 20 20 LYS N N 20 122.353 119.536 2.817 1
1 116 . 4 1 1 A 20 20 LYS H H 20 7.856 7.495 0.361 1
1 117 . 4 1 1 A 20 20 LYS CA C 20 57.657 54.519 3.138 1
1 118 . 4 1 1 A 20 20 LYS HA H 20 4.043 4.519 -0.476 1
1 119 . 4 1 1 A 20 20 LYS CB C 20 34.015 34.818 -0.803 1
1 127 . 4 1 1 A 20 20 LYS C C 20 173.954 174.996 -1.042 1
1 132 . 4 1 1 A 21 21 ASN N N 21 117.851 121.814 -3.963 1
1 133 . 4 1 1 A 21 21 ASN H H 21 7.905 8.730 -0.825 1
1 134 . 4 1 1 A 21 21 ASN CA C 21 51.903 51.429 0.474 1
1 135 . 4 1 1 A 21 21 ASN HA H 21 5.337 5.612 -0.275 1
1 136 . 4 1 1 A 21 21 ASN CB C 21 41.671 40.834 0.837 1
1 141 . 4 1 1 A 21 21 ASN C C 21 174.118 173.661 0.457 1
1 143 . 4 1 1 A 22 22 PHE N N 22 117.132 116.524 0.608 1
1 144 . 4 1 1 A 22 22 PHE H H 22 8.604 8.946 -0.342 1
1 145 . 4 1 1 A 22 22 PHE CA C 22 57.519 56.254 1.265 1
1 146 . 4 1 1 A 22 22 PHE HA H 22 4.753 4.832 -0.079 1
1 147 . 4 1 1 A 22 22 PHE CB C 22 43.604 43.171 0.433 1
1 159 . 4 1 1 A 22 22 PHE C C 22 175.478 176.014 -0.536 1
1 161 . 4 1 1 A 23 23 GLY CA C 23 45.805 45.584 0.221 1
1 162 . 4 1 1 A 23 23 GLY HA3 H 23 4.493 4.059 0.434 1
1 163 . 4 1 1 A 23 23 GLY HA2 H 23 4.065 3.939 0.126 1
1 164 . 4 1 1 A 24 24 ARG N N 24 115.504 117.665 -2.161 1
1 165 . 4 1 1 A 24 24 ARG H H 24 7.280 7.545 -0.265 1
1 166 . 4 1 1 A 24 24 ARG CA C 24 53.903 53.863 0.040 1
1 167 . 4 1 1 A 24 24 ARG HA H 24 4.647 4.863 -0.216 1
1 168 . 4 1 1 A 24 24 ARG CB C 24 33.063 34.406 -1.343 1
1 177 . 4 1 1 A 25 25 HIS N N 25 112.630 122.859 -10.229 1
1 178 . 4 1 1 A 25 25 HIS H H 25 8.702 8.798 -0.096 1
1 179 . 4 1 1 A 25 25 HIS CA C 25 60.282 59.719 0.563 1
1 180 . 4 1 1 A 25 25 HIS HA H 25 3.275 3.180 0.095 1
1 181 . 4 1 1 A 25 25 HIS CB C 25 30.569 30.030 0.539 1
1 188 . 4 1 1 A 26 26 SER CA C 26 61.201 61.357 -0.156 1
1 189 . 4 1 1 A 26 26 SER HA H 26 3.832 3.943 -0.111 1
1 190 . 4 1 1 A 26 26 SER CB C 26 61.402 62.133 -0.731 1
1 192 . 4 1 1 A 26 26 SER C C 26 176.998 177.103 -0.105 1
1 194 . 4 1 1 A 27 27 HIS N N 27 120.791 118.622 2.169 1
1 195 . 4 1 1 A 27 27 HIS H H 27 6.716 7.965 -1.249 1
1 196 . 4 1 1 A 27 27 HIS CA C 27 56.885 58.565 -1.680 1
1 197 . 4 1 1 A 27 27 HIS HA H 27 4.438 4.100 0.338 1
1 198 . 4 1 1 A 27 27 HIS CB C 27 31.710 29.604 2.106 1
1 204 . 4 1 1 A 27 27 HIS C C 27 178.259 177.414 0.845 1
1 206 . 4 1 1 A 28 28 LEU N N 28 121.891 119.852 2.039 1
1 207 . 4 1 1 A 28 28 LEU H H 28 7.048 7.424 -0.376 1
1 208 . 4 1 1 A 28 28 LEU CA C 28 57.858 57.677 0.181 1
1 209 . 4 1 1 A 28 28 LEU HA H 28 3.316 3.627 -0.311 1
1 210 . 4 1 1 A 28 28 LEU CB C 28 40.235 41.519 -1.284 1
1 222 . 4 1 1 A 28 28 LEU C C 28 177.276 178.255 -0.979 1
1 224 . 4 1 1 A 29 29 ILE N N 29 118.247 119.826 -1.579 1
1 225 . 4 1 1 A 29 29 ILE H H 29 7.890 7.883 0.007 1
1 226 . 4 1 1 A 29 29 ILE CA C 29 63.737 65.311 -1.574 1
1 227 . 4 1 1 A 29 29 ILE HA H 29 3.547 3.402 0.145 1
1 228 . 4 1 1 A 29 29 ILE CB C 29 36.186 37.634 -1.448 1
1 240 . 4 1 1 A 29 29 ILE C C 29 178.830 178.249 0.581 1
1 242 . 4 1 1 A 30 30 GLU N N 30 117.991 120.928 -2.937 1
1 243 . 4 1 1 A 30 30 GLU H H 30 7.499 8.329 -0.830 1
1 244 . 4 1 1 A 30 30 GLU CA C 30 59.104 59.523 -0.419 1
1 245 . 4 1 1 A 30 30 GLU HA H 30 3.959 3.811 0.148 1
1 246 . 4 1 1 A 30 30 GLU CB C 30 29.435 29.395 0.040 1
1 250 . 4 1 1 A 30 30 GLU C C 30 178.622 178.517 0.105 1
1 253 . 4 1 1 A 31 31 HIS N N 31 119.737 119.729 0.008 1
1 254 . 4 1 1 A 31 31 HIS H H 31 7.541 7.819 -0.278 1
1 255 . 4 1 1 A 31 31 HIS CA C 31 59.599 59.721 -0.122 1
1 256 . 4 1 1 A 31 31 HIS HA H 31 4.113 4.060 0.053 1
1 257 . 4 1 1 A 31 31 HIS CB C 31 28.503 29.646 -1.143 1
1 263 . 4 1 1 A 31 31 HIS C C 31 177.036 176.904 0.132 1
1 265 . 4 1 1 A 32 32 LEU N N 32 118.963 119.087 -0.124 1
1 266 . 4 1 1 A 32 32 LEU H H 32 8.669 8.579 0.090 1
1 267 . 4 1 1 A 32 32 LEU CA C 32 58.231 58.052 0.179 1
1 268 . 4 1 1 A 32 32 LEU HA H 32 3.868 3.712 0.156 1
1 269 . 4 1 1 A 32 32 LEU CB C 32 41.914 41.586 0.328 1
1 281 . 4 1 1 A 32 32 LEU C C 32 179.605 178.870 0.735 1
1 283 . 4 1 1 A 33 33 LYS N N 33 117.980 116.771 1.209 1
1 284 . 4 1 1 A 33 33 LYS H H 33 7.426 7.929 -0.503 1
1 285 . 4 1 1 A 33 33 LYS CA C 33 59.259 60.219 -0.960 1
1 286 . 4 1 1 A 33 33 LYS HA H 33 3.964 3.885 0.079 1
1 287 . 4 1 1 A 33 33 LYS CB C 33 32.436 32.269 0.167 1
1 295 . 4 1 1 A 33 33 LYS C C 33 178.878 179.483 -0.605 1
1 300 . 4 1 1 A 34 34 ARG N N 34 117.379 119.588 -2.209 1
1 301 . 4 1 1 A 34 34 ARG H H 34 7.659 7.606 0.053 1
1 302 . 4 1 1 A 34 34 ARG CA C 34 57.923 59.555 -1.632 1
1 303 . 4 1 1 A 34 34 ARG HA H 34 4.030 3.872 0.158 1
1 304 . 4 1 1 A 34 34 ARG CB C 34 29.157 29.742 -0.585 1
1 310 . 4 1 1 A 34 34 ARG C C 34 178.055 178.778 -0.723 1
1 314 . 4 1 1 A 35 35 HIS N N 35 115.913 118.419 -2.506 1
1 315 . 4 1 1 A 35 35 HIS H H 35 7.257 7.626 -0.369 1
1 316 . 4 1 1 A 35 35 HIS CA C 35 56.578 59.210 -2.632 1
1 317 . 4 1 1 A 35 35 HIS HA H 35 4.629 4.179 0.450 1
1 318 . 4 1 1 A 35 35 HIS CB C 35 28.654 30.032 -1.378 1
1 324 . 4 1 1 A 35 35 HIS C C 35 175.953 177.806 -1.853 1
1 326 . 4 1 1 A 36 36 PHE N N 36 119.384 120.213 -0.829 1
1 327 . 4 1 1 A 36 36 PHE H H 36 7.760 7.928 -0.168 1
1 328 . 4 1 1 A 36 36 PHE CA C 36 58.890 61.959 -3.069 1
1 329 . 4 1 1 A 36 36 PHE HA H 36 4.543 4.036 0.507 1
1 330 . 4 1 1 A 36 36 PHE CB C 36 39.026 38.962 0.064 1
1 342 . 4 1 1 A 36 36 PHE C C 36 176.549 176.624 -0.075 1
1 344 . 4 1 1 A 37 37 ARG N N 37 121.608 119.960 1.648 1
1 345 . 4 1 1 A 37 37 ARG H H 37 8.099 7.493 0.606 1
1 346 . 4 1 1 A 37 37 ARG CA C 37 56.871 56.439 0.432 1
1 347 . 4 1 1 A 37 37 ARG HA H 37 4.231 4.021 0.210 1
1 348 . 4 1 1 A 37 37 ARG CB C 37 30.858 31.544 -0.686 1
1 354 . 4 1 1 A 37 37 ARG C C 37 176.808 175.377 1.431 1
1 358 . 4 1 1 A 38 38 GLU N N 38 120.749 122.594 -1.845 1
1 359 . 4 1 1 A 38 38 GLU H H 38 8.205 8.891 -0.686 1
1 360 . 4 1 1 A 38 38 GLU CA C 38 57.166 54.943 2.223 1
1 361 . 4 1 1 A 38 38 GLU HA H 38 4.194 4.998 -0.804 1
1 362 . 4 1 1 A 38 38 GLU CB C 38 30.047 33.396 -3.349 1
1 366 . 4 1 1 A 38 38 GLU C C 38 176.985 175.173 1.812 1
1 369 . 4 1 1 A 39 39 LYS N N 39 121.011 123.772 -2.761 1
1 370 . 4 1 1 A 39 39 LYS H H 39 8.130 8.524 -0.394 1
1 371 . 4 1 1 A 39 39 LYS CA C 39 56.734 57.406 -0.672 1
1 372 . 4 1 1 A 39 39 LYS HA H 39 4.315 4.258 0.057 1
1 373 . 4 1 1 A 39 39 LYS CB C 39 32.934 32.627 0.307 1
1 381 . 4 1 1 A 39 39 LYS C C 39 176.838 176.748 0.090 1
1 386 . 4 1 1 A 40 40 SER N N 40 116.295 119.674 -3.379 1
1 387 . 4 1 1 A 40 40 SER H H 40 8.203 8.674 -0.471 1
1 388 . 4 1 1 A 40 40 SER CA C 40 58.413 58.169 0.244 1
1 389 . 4 1 1 A 40 40 SER HA H 40 4.474 4.712 -0.238 1
1 390 . 4 1 1 A 40 40 SER CB C 40 63.797 64.526 -0.729 1
1 392 . 4 1 1 A 40 40 SER C C 40 174.559 175.320 -0.761 1
1 394 . 4 1 1 A 41 41 SER N N 41 117.522 115.123 2.399 1
1 395 . 4 1 1 A 41 41 SER H H 41 8.267 8.295 -0.028 1
1 396 . 4 1 1 A 41 41 SER CA C 41 58.400 56.568 1.832 1
1 397 . 4 1 1 A 41 41 SER HA H 41 4.488 4.865 -0.377 1
1 398 . 4 1 1 A 41 41 SER CB C 41 64.016 62.619 1.397 1
1 400 . 4 1 1 A 41 41 SER C C 41 174.474 175.465 -0.991 1
1 402 . 4 1 1 A 42 42 GLY N N 42 110.551 111.021 -0.470 1
1 403 . 4 1 1 A 42 42 GLY H H 42 8.215 8.501 -0.286 1
1 404 . 4 1 1 A 42 42 GLY CA C 42 44.645 46.901 -2.256 1
1 405 . 4 1 1 A 42 42 GLY HA3 H 42 4.143 3.780 0.363 1
1 406 . 4 1 1 A 42 42 GLY C C 42 171.741 175.045 -3.304 1
1 407 . 4 1 1 A 42 42 GLY HA2 H 42 4.143 3.779 0.364 1
1 408 . 4 1 1 A 43 43 PRO CA C 43 63.271 63.381 -0.110 1
1 409 . 4 1 1 A 43 43 PRO HA H 43 4.488 4.359 0.129 1
1 410 . 4 1 1 A 43 43 PRO CB C 43 32.184 32.008 0.176 1
1 416 . 4 1 1 A 43 43 PRO C C 43 177.380 176.607 0.773 1
1 420 . 4 1 1 A 44 44 SER N N 44 116.453 112.879 3.574 1
1 421 . 4 1 1 A 44 44 SER H H 44 8.540 8.106 0.434 1
1 1 . 5 1 1 A 8 8 SER CA C 8 58.454 58.993 -0.539 1
1 2 . 5 1 1 A 8 8 SER HA H 8 4.440 4.203 0.237 1
1 3 . 5 1 1 A 8 8 SER CB C 8 63.904 61.755 2.149 1
1 5 . 5 1 1 A 8 8 SER C C 8 175.126 175.008 0.118 1
1 7 . 5 1 1 A 9 9 GLY N N 9 110.864 109.363 1.501 1
1 8 . 5 1 1 A 9 9 GLY H H 9 8.493 8.033 0.460 1
1 9 . 5 1 1 A 9 9 GLY CA C 9 45.376 47.259 -1.883 1
1 10 . 5 1 1 A 9 9 GLY C C 9 174.128 174.997 -0.869 1
1 11 . 5 1 1 A 9 9 GLY HA2 H 9 3.960 3.798 0.162 1
1 12 . 5 1 1 A 10 10 GLU N N 10 120.050 115.041 5.009 1
1 13 . 5 1 1 A 10 10 GLU H H 10 8.255 7.896 0.359 1
1 14 . 5 1 1 A 10 10 GLU CA C 10 56.893 57.474 -0.581 1
1 15 . 5 1 1 A 10 10 GLU HA H 10 4.236 3.885 0.351 1
1 16 . 5 1 1 A 10 10 GLU CB C 10 30.417 26.696 3.721 1
1 20 . 5 1 1 A 10 10 GLU C C 10 176.477 175.504 0.973 1
1 23 . 5 1 1 A 11 11 ARG N N 11 121.287 119.250 2.037 1
1 24 . 5 1 1 A 11 11 ARG H H 11 8.311 8.159 0.152 1
1 25 . 5 1 1 A 11 11 ARG CA C 11 53.586 53.706 -0.120 1
1 26 . 5 1 1 A 11 11 ARG HA H 11 4.588 4.767 -0.179 1
1 27 . 5 1 1 A 11 11 ARG CB C 11 30.618 30.017 0.601 1
1 33 . 5 1 1 A 11 11 ARG C C 11 173.631 174.564 -0.933 1
1 37 . 5 1 1 A 12 12 PRO CA C 12 63.542 64.633 -1.091 1
1 38 . 5 1 1 A 12 12 PRO HA H 12 4.349 4.406 -0.057 1
1 39 . 5 1 1 A 12 12 PRO CB C 12 32.216 31.556 0.660 1
1 45 . 5 1 1 A 12 12 PRO C C 12 176.387 176.015 0.372 1
1 49 . 5 1 1 A 13 13 TYR N N 13 119.060 117.547 1.513 1
1 50 . 5 1 1 A 13 13 TYR H H 13 8.102 7.722 0.380 1
1 51 . 5 1 1 A 13 13 TYR CA C 13 56.965 56.407 0.558 1
1 52 . 5 1 1 A 13 13 TYR HA H 13 4.754 4.846 -0.092 1
1 53 . 5 1 1 A 13 13 TYR CB C 13 38.432 37.409 1.023 1
1 63 . 5 1 1 A 13 13 TYR C C 13 175.135 175.008 0.127 1
1 65 . 5 1 1 A 14 14 GLY N N 14 111.562 110.920 0.642 1
1 66 . 5 1 1 A 14 14 GLY H H 14 8.513 8.978 -0.465 1
1 67 . 5 1 1 A 14 14 GLY CA C 14 45.058 44.847 0.211 1
1 68 . 5 1 1 A 14 14 GLY HA3 H 14 4.932 4.233 0.699 1
1 69 . 5 1 1 A 14 14 GLY C C 14 172.508 172.249 0.259 1
1 70 . 5 1 1 A 14 14 GLY HA2 H 14 3.638 4.218 -0.580 1
1 71 . 5 1 1 A 15 15 CYS N N 15 124.194 125.236 -1.042 1
1 72 . 5 1 1 A 15 15 CYS H H 15 9.008 8.624 0.384 1
1 73 . 5 1 1 A 15 15 CYS CA C 15 58.959 59.373 -0.414 1
1 74 . 5 1 1 A 15 15 CYS HA H 15 4.695 4.626 0.069 1
1 75 . 5 1 1 A 15 15 CYS CB C 15 30.119 28.109 2.010 1
1 77 . 5 1 1 A 15 15 CYS C C 15 177.447 175.899 1.548 1
1 79 . 5 1 1 A 16 16 ASN N N 16 129.997 127.506 2.491 1
1 80 . 5 1 1 A 16 16 ASN H H 16 9.480 9.248 0.232 1
1 81 . 5 1 1 A 16 16 ASN CA C 16 55.267 55.697 -0.430 1
1 82 . 5 1 1 A 16 16 ASN HA H 16 4.625 4.486 0.139 1
1 83 . 5 1 1 A 16 16 ASN CB C 16 38.516 38.686 -0.170 1
1 88 . 5 1 1 A 16 16 ASN C C 16 175.463 177.220 -1.757 1
1 90 . 5 1 1 A 17 17 GLU N N 17 121.690 118.765 2.925 1
1 91 . 5 1 1 A 17 17 GLU H H 17 9.024 8.309 0.715 1
1 92 . 5 1 1 A 17 17 GLU CA C 17 58.253 59.442 -1.189 1
1 93 . 5 1 1 A 17 17 GLU HA H 17 4.239 3.945 0.294 1
1 94 . 5 1 1 A 17 17 GLU CB C 17 29.490 29.332 0.158 1
1 98 . 5 1 1 A 17 17 GLU C C 17 177.355 178.040 -0.685 1
1 101 . 5 1 1 A 18 18 CYS N N 18 115.999 114.672 1.327 1
1 102 . 5 1 1 A 18 18 CYS H H 18 8.351 7.350 1.001 1
1 103 . 5 1 1 A 18 18 CYS CA C 18 58.536 59.538 -1.002 1
1 104 . 5 1 1 A 18 18 CYS HA H 18 5.170 4.594 0.576 1
1 105 . 5 1 1 A 18 18 CYS CB C 18 32.295 29.903 2.392 1
1 107 . 5 1 1 A 18 18 CYS C C 18 176.224 175.428 0.796 1
1 109 . 5 1 1 A 19 19 GLY N N 19 112.718 110.092 2.626 1
1 110 . 5 1 1 A 19 19 GLY H H 19 8.032 8.376 -0.344 1
1 111 . 5 1 1 A 19 19 GLY CA C 19 46.253 45.821 0.432 1
1 112 . 5 1 1 A 19 19 GLY HA3 H 19 4.228 4.017 0.211 1
1 113 . 5 1 1 A 19 19 GLY C C 19 174.201 174.246 -0.045 1
1 114 . 5 1 1 A 19 19 GLY HA2 H 19 3.901 4.017 -0.116 1
1 115 . 5 1 1 A 20 20 LYS N N 20 122.353 119.465 2.888 1
1 116 . 5 1 1 A 20 20 LYS H H 20 7.856 7.874 -0.018 1
1 117 . 5 1 1 A 20 20 LYS CA C 20 57.657 54.607 3.050 1
1 118 . 5 1 1 A 20 20 LYS HA H 20 4.043 4.383 -0.340 1
1 119 . 5 1 1 A 20 20 LYS CB C 20 34.015 34.504 -0.489 1
1 127 . 5 1 1 A 20 20 LYS C C 20 173.954 175.208 -1.254 1
1 132 . 5 1 1 A 21 21 ASN N N 21 117.851 122.303 -4.452 1
1 133 . 5 1 1 A 21 21 ASN H H 21 7.905 8.329 -0.424 1
1 134 . 5 1 1 A 21 21 ASN CA C 21 51.903 51.759 0.144 1
1 135 . 5 1 1 A 21 21 ASN HA H 21 5.337 5.545 -0.208 1
1 136 . 5 1 1 A 21 21 ASN CB C 21 41.671 40.897 0.774 1
1 141 . 5 1 1 A 21 21 ASN C C 21 174.118 173.697 0.421 1
1 143 . 5 1 1 A 22 22 PHE N N 22 117.132 118.107 -0.975 1
1 144 . 5 1 1 A 22 22 PHE H H 22 8.604 8.681 -0.077 1
1 145 . 5 1 1 A 22 22 PHE CA C 22 57.519 56.778 0.741 1
1 146 . 5 1 1 A 22 22 PHE HA H 22 4.753 5.082 -0.329 1
1 147 . 5 1 1 A 22 22 PHE CB C 22 43.604 43.791 -0.187 1
1 159 . 5 1 1 A 22 22 PHE C C 22 175.478 175.926 -0.448 1
1 161 . 5 1 1 A 23 23 GLY CA C 23 45.805 46.756 -0.951 1
1 162 . 5 1 1 A 23 23 GLY HA3 H 23 4.493 4.109 0.384 1
1 163 . 5 1 1 A 23 23 GLY HA2 H 23 4.065 4.054 0.011 1
1 164 . 5 1 1 A 24 24 ARG N N 24 115.504 119.845 -4.341 1
1 165 . 5 1 1 A 24 24 ARG H H 24 7.280 7.734 -0.454 1
1 166 . 5 1 1 A 24 24 ARG CA C 24 53.903 55.390 -1.487 1
1 167 . 5 1 1 A 24 24 ARG HA H 24 4.647 4.589 0.058 1
1 168 . 5 1 1 A 24 24 ARG CB C 24 33.063 31.009 2.054 1
1 177 . 5 1 1 A 25 25 HIS N N 25 112.630 123.136 -10.506 1
1 178 . 5 1 1 A 25 25 HIS H H 25 8.702 9.093 -0.391 1
1 179 . 5 1 1 A 25 25 HIS CA C 25 60.282 60.146 0.136 1
1 180 . 5 1 1 A 25 25 HIS HA H 25 3.275 2.788 0.487 1
1 181 . 5 1 1 A 25 25 HIS CB C 25 30.569 30.311 0.258 1
1 188 . 5 1 1 A 26 26 SER CA C 26 61.201 61.209 -0.008 1
1 189 . 5 1 1 A 26 26 SER HA H 26 3.832 4.028 -0.196 1
1 190 . 5 1 1 A 26 26 SER CB C 26 61.402 62.350 -0.948 1
1 192 . 5 1 1 A 26 26 SER C C 26 176.998 176.299 0.699 1
1 194 . 5 1 1 A 27 27 HIS N N 27 120.791 121.286 -0.495 1
1 195 . 5 1 1 A 27 27 HIS H H 27 6.716 8.049 -1.333 1
1 196 . 5 1 1 A 27 27 HIS CA C 27 56.885 59.718 -2.833 1
1 197 . 5 1 1 A 27 27 HIS HA H 27 4.438 3.828 0.610 1
1 198 . 5 1 1 A 27 27 HIS CB C 27 31.710 29.590 2.120 1
1 204 . 5 1 1 A 27 27 HIS C C 27 178.259 176.016 2.243 1
1 206 . 5 1 1 A 28 28 LEU N N 28 121.891 119.489 2.402 1
1 207 . 5 1 1 A 28 28 LEU H H 28 7.048 7.530 -0.482 1
1 208 . 5 1 1 A 28 28 LEU CA C 28 57.858 58.200 -0.342 1
1 209 . 5 1 1 A 28 28 LEU HA H 28 3.316 3.488 -0.172 1
1 210 . 5 1 1 A 28 28 LEU CB C 28 40.235 41.822 -1.587 1
1 222 . 5 1 1 A 28 28 LEU C C 28 177.276 178.392 -1.116 1
1 224 . 5 1 1 A 29 29 ILE N N 29 118.247 119.426 -1.179 1
1 225 . 5 1 1 A 29 29 ILE H H 29 7.890 7.424 0.466 1
1 226 . 5 1 1 A 29 29 ILE CA C 29 63.737 65.660 -1.923 1
1 227 . 5 1 1 A 29 29 ILE HA H 29 3.547 3.457 0.090 1
1 228 . 5 1 1 A 29 29 ILE CB C 29 36.186 37.527 -1.341 1
1 240 . 5 1 1 A 29 29 ILE C C 29 178.830 177.912 0.918 1
1 242 . 5 1 1 A 30 30 GLU N N 30 117.991 120.372 -2.381 1
1 243 . 5 1 1 A 30 30 GLU H H 30 7.499 8.353 -0.854 1
1 244 . 5 1 1 A 30 30 GLU CA C 30 59.104 59.528 -0.424 1
1 245 . 5 1 1 A 30 30 GLU HA H 30 3.959 3.796 0.163 1
1 246 . 5 1 1 A 30 30 GLU CB C 30 29.435 29.509 -0.074 1
1 250 . 5 1 1 A 30 30 GLU C C 30 178.622 178.404 0.218 1
1 253 . 5 1 1 A 31 31 HIS N N 31 119.737 119.647 0.090 1
1 254 . 5 1 1 A 31 31 HIS H H 31 7.541 7.770 -0.229 1
1 255 . 5 1 1 A 31 31 HIS CA C 31 59.599 59.560 0.039 1
1 256 . 5 1 1 A 31 31 HIS HA H 31 4.113 4.023 0.090 1
1 257 . 5 1 1 A 31 31 HIS CB C 31 28.503 29.270 -0.767 1
1 263 . 5 1 1 A 31 31 HIS C C 31 177.036 176.852 0.184 1
1 265 . 5 1 1 A 32 32 LEU N N 32 118.963 118.689 0.274 1
1 266 . 5 1 1 A 32 32 LEU H H 32 8.669 8.487 0.182 1
1 267 . 5 1 1 A 32 32 LEU CA C 32 58.231 57.771 0.460 1
1 268 . 5 1 1 A 32 32 LEU HA H 32 3.868 3.651 0.217 1
1 269 . 5 1 1 A 32 32 LEU CB C 32 41.914 41.262 0.652 1
1 281 . 5 1 1 A 32 32 LEU C C 32 179.605 178.983 0.622 1
1 283 . 5 1 1 A 33 33 LYS N N 33 117.980 117.699 0.281 1
1 284 . 5 1 1 A 33 33 LYS H H 33 7.426 7.866 -0.440 1
1 285 . 5 1 1 A 33 33 LYS CA C 33 59.259 60.359 -1.100 1
1 286 . 5 1 1 A 33 33 LYS HA H 33 3.964 3.882 0.082 1
1 287 . 5 1 1 A 33 33 LYS CB C 33 32.436 32.034 0.402 1
1 295 . 5 1 1 A 33 33 LYS C C 33 178.878 179.094 -0.216 1
1 300 . 5 1 1 A 34 34 ARG N N 34 117.379 119.100 -1.721 1
1 301 . 5 1 1 A 34 34 ARG H H 34 7.659 7.936 -0.277 1
1 302 . 5 1 1 A 34 34 ARG CA C 34 57.923 59.496 -1.573 1
1 303 . 5 1 1 A 34 34 ARG HA H 34 4.030 3.885 0.145 1
1 304 . 5 1 1 A 34 34 ARG CB C 34 29.157 29.808 -0.651 1
1 310 . 5 1 1 A 34 34 ARG C C 34 178.055 178.788 -0.733 1
1 314 . 5 1 1 A 35 35 HIS N N 35 115.913 118.243 -2.330 1
1 315 . 5 1 1 A 35 35 HIS H H 35 7.257 7.781 -0.524 1
1 316 . 5 1 1 A 35 35 HIS CA C 35 56.578 58.981 -2.403 1
1 317 . 5 1 1 A 35 35 HIS HA H 35 4.629 4.214 0.415 1
1 318 . 5 1 1 A 35 35 HIS CB C 35 28.654 29.975 -1.321 1
1 324 . 5 1 1 A 35 35 HIS C C 35 175.953 177.931 -1.978 1
1 326 . 5 1 1 A 36 36 PHE N N 36 119.384 120.717 -1.333 1
1 327 . 5 1 1 A 36 36 PHE H H 36 7.760 8.094 -0.334 1
1 328 . 5 1 1 A 36 36 PHE CA C 36 58.890 61.995 -3.105 1
1 329 . 5 1 1 A 36 36 PHE HA H 36 4.543 4.005 0.538 1
1 330 . 5 1 1 A 36 36 PHE CB C 36 39.026 39.413 -0.387 1
1 342 . 5 1 1 A 36 36 PHE C C 36 176.549 176.246 0.303 1
1 344 . 5 1 1 A 37 37 ARG N N 37 121.608 118.206 3.402 1
1 345 . 5 1 1 A 37 37 ARG H H 37 8.099 7.515 0.584 1
1 346 . 5 1 1 A 37 37 ARG CA C 37 56.871 56.229 0.642 1
1 347 . 5 1 1 A 37 37 ARG HA H 37 4.231 4.360 -0.129 1
1 348 . 5 1 1 A 37 37 ARG CB C 37 30.858 30.845 0.013 1
1 354 . 5 1 1 A 37 37 ARG C C 37 176.808 175.990 0.818 1
1 358 . 5 1 1 A 38 38 GLU N N 38 120.749 126.738 -5.989 1
1 359 . 5 1 1 A 38 38 GLU H H 38 8.205 8.876 -0.671 1
1 360 . 5 1 1 A 38 38 GLU CA C 38 57.166 57.454 -0.288 1
1 361 . 5 1 1 A 38 38 GLU HA H 38 4.194 4.490 -0.296 1
1 362 . 5 1 1 A 38 38 GLU CB C 38 30.047 32.331 -2.284 1
1 366 . 5 1 1 A 38 38 GLU C C 38 176.985 176.360 0.625 1
1 369 . 5 1 1 A 39 39 LYS N N 39 121.011 120.053 0.958 1
1 370 . 5 1 1 A 39 39 LYS H H 39 8.130 8.039 0.091 1
1 371 . 5 1 1 A 39 39 LYS CA C 39 56.734 57.213 -0.479 1
1 372 . 5 1 1 A 39 39 LYS HA H 39 4.315 3.894 0.421 1
1 373 . 5 1 1 A 39 39 LYS CB C 39 32.934 31.115 1.819 1
1 381 . 5 1 1 A 39 39 LYS C C 39 176.838 175.120 1.718 1
1 386 . 5 1 1 A 40 40 SER N N 40 116.295 115.049 1.246 1
1 387 . 5 1 1 A 40 40 SER H H 40 8.203 7.653 0.550 1
1 388 . 5 1 1 A 40 40 SER CA C 40 58.413 57.314 1.099 1
1 389 . 5 1 1 A 40 40 SER HA H 40 4.474 4.657 -0.183 1
1 390 . 5 1 1 A 40 40 SER CB C 40 63.797 65.390 -1.593 1
1 392 . 5 1 1 A 40 40 SER C C 40 174.559 173.528 1.031 1
1 394 . 5 1 1 A 41 41 SER N N 41 117.522 122.307 -4.785 1
1 395 . 5 1 1 A 41 41 SER H H 41 8.267 9.219 -0.952 1
1 396 . 5 1 1 A 41 41 SER CA C 41 58.400 59.130 -0.730 1
1 397 . 5 1 1 A 41 41 SER HA H 41 4.488 4.046 0.442 1
1 398 . 5 1 1 A 41 41 SER CB C 41 64.016 62.332 1.684 1
1 400 . 5 1 1 A 41 41 SER C C 41 174.474 173.564 0.910 1
1 402 . 5 1 1 A 42 42 GLY N N 42 110.551 106.150 4.401 1
1 403 . 5 1 1 A 42 42 GLY H H 42 8.215 7.694 0.521 1
1 404 . 5 1 1 A 42 42 GLY CA C 42 44.645 45.571 -0.926 1
1 405 . 5 1 1 A 42 42 GLY HA3 H 42 4.143 4.079 0.064 1
1 406 . 5 1 1 A 42 42 GLY C C 42 171.741 171.899 -0.158 1
1 407 . 5 1 1 A 42 42 GLY HA2 H 42 4.143 4.062 0.081 1
1 408 . 5 1 1 A 43 43 PRO CA C 43 63.271 62.288 0.983 1
1 409 . 5 1 1 A 43 43 PRO HA H 43 4.488 4.624 -0.136 1
1 410 . 5 1 1 A 43 43 PRO CB C 43 32.184 29.700 2.484 1
1 416 . 5 1 1 A 43 43 PRO C C 43 177.380 176.449 0.931 1
1 420 . 5 1 1 A 44 44 SER N N 44 116.453 115.410 1.043 1
1 421 . 5 1 1 A 44 44 SER H H 44 8.540 7.944 0.596 1
1 1 . 6 1 1 A 8 8 SER CA C 8 58.454 57.974 0.480 1
1 2 . 6 1 1 A 8 8 SER HA H 8 4.440 4.616 -0.176 1
1 3 . 6 1 1 A 8 8 SER CB C 8 63.904 61.510 2.394 1
1 5 . 6 1 1 A 8 8 SER C C 8 175.126 174.157 0.969 1
1 7 . 6 1 1 A 9 9 GLY N N 9 110.864 112.463 -1.599 1
1 8 . 6 1 1 A 9 9 GLY H H 9 8.493 8.480 0.013 1
1 9 . 6 1 1 A 9 9 GLY CA C 9 45.376 46.693 -1.317 1
1 10 . 6 1 1 A 9 9 GLY C C 9 174.128 173.317 0.811 1
1 11 . 6 1 1 A 9 9 GLY HA2 H 9 3.960 3.830 0.130 1
1 12 . 6 1 1 A 10 10 GLU N N 10 120.050 121.923 -1.873 1
1 13 . 6 1 1 A 10 10 GLU H H 10 8.255 7.493 0.762 1
1 14 . 6 1 1 A 10 10 GLU CA C 10 56.893 55.876 1.017 1
1 15 . 6 1 1 A 10 10 GLU HA H 10 4.236 4.875 -0.639 1
1 16 . 6 1 1 A 10 10 GLU CB C 10 30.417 33.380 -2.963 1
1 20 . 6 1 1 A 10 10 GLU C C 10 176.477 174.395 2.082 1
1 23 . 6 1 1 A 11 11 ARG N N 11 121.287 124.645 -3.358 1
1 24 . 6 1 1 A 11 11 ARG H H 11 8.311 8.679 -0.368 1
1 25 . 6 1 1 A 11 11 ARG CA C 11 53.586 54.137 -0.551 1
1 26 . 6 1 1 A 11 11 ARG HA H 11 4.588 4.842 -0.254 1
1 27 . 6 1 1 A 11 11 ARG CB C 11 30.618 33.624 -3.006 1
1 33 . 6 1 1 A 11 11 ARG C C 11 173.631 175.817 -2.186 1
1 37 . 6 1 1 A 12 12 PRO CA C 12 63.542 64.727 -1.185 1
1 38 . 6 1 1 A 12 12 PRO HA H 12 4.349 4.268 0.081 1
1 39 . 6 1 1 A 12 12 PRO CB C 12 32.216 31.575 0.641 1
1 45 . 6 1 1 A 12 12 PRO C C 12 176.387 176.979 -0.592 1
1 49 . 6 1 1 A 13 13 TYR N N 13 119.060 116.874 2.186 1
1 50 . 6 1 1 A 13 13 TYR H H 13 8.102 7.892 0.210 1
1 51 . 6 1 1 A 13 13 TYR CA C 13 56.965 57.590 -0.625 1
1 52 . 6 1 1 A 13 13 TYR HA H 13 4.754 4.850 -0.096 1
1 53 . 6 1 1 A 13 13 TYR CB C 13 38.432 37.768 0.664 1
1 63 . 6 1 1 A 13 13 TYR C C 13 175.135 176.214 -1.079 1
1 65 . 6 1 1 A 14 14 GLY N N 14 111.562 108.212 3.350 1
1 66 . 6 1 1 A 14 14 GLY H H 14 8.513 8.125 0.388 1
1 67 . 6 1 1 A 14 14 GLY CA C 14 45.058 46.338 -1.280 1
1 68 . 6 1 1 A 14 14 GLY HA3 H 14 4.932 3.940 0.992 1
1 69 . 6 1 1 A 14 14 GLY C C 14 172.508 173.252 -0.744 1
1 70 . 6 1 1 A 14 14 GLY HA2 H 14 3.638 3.910 -0.272 1
1 71 . 6 1 1 A 15 15 CYS N N 15 124.194 124.925 -0.731 1
1 72 . 6 1 1 A 15 15 CYS H H 15 9.008 8.348 0.660 1
1 73 . 6 1 1 A 15 15 CYS CA C 15 58.959 59.875 -0.916 1
1 74 . 6 1 1 A 15 15 CYS HA H 15 4.695 4.605 0.090 1
1 75 . 6 1 1 A 15 15 CYS CB C 15 30.119 28.359 1.760 1
1 77 . 6 1 1 A 15 15 CYS C C 15 177.447 175.518 1.929 1
1 79 . 6 1 1 A 16 16 ASN N N 16 129.997 126.006 3.991 1
1 80 . 6 1 1 A 16 16 ASN H H 16 9.480 8.737 0.743 1
1 81 . 6 1 1 A 16 16 ASN CA C 16 55.267 52.976 2.291 1
1 82 . 6 1 1 A 16 16 ASN HA H 16 4.625 4.828 -0.203 1
1 83 . 6 1 1 A 16 16 ASN CB C 16 38.516 37.259 1.257 1
1 88 . 6 1 1 A 16 16 ASN C C 16 175.463 175.591 -0.128 1
1 90 . 6 1 1 A 17 17 GLU N N 17 121.690 118.573 3.117 1
1 91 . 6 1 1 A 17 17 GLU H H 17 9.024 8.207 0.817 1
1 92 . 6 1 1 A 17 17 GLU CA C 17 58.253 57.191 1.062 1
1 93 . 6 1 1 A 17 17 GLU HA H 17 4.239 4.529 -0.290 1
1 94 . 6 1 1 A 17 17 GLU CB C 17 29.490 32.464 -2.974 1
1 98 . 6 1 1 A 17 17 GLU C C 17 177.355 177.783 -0.428 1
1 101 . 6 1 1 A 18 18 CYS N N 18 115.999 115.117 0.882 1
1 102 . 6 1 1 A 18 18 CYS H H 18 8.351 8.162 0.189 1
1 103 . 6 1 1 A 18 18 CYS CA C 18 58.536 59.639 -1.103 1
1 104 . 6 1 1 A 18 18 CYS HA H 18 5.170 4.673 0.497 1
1 105 . 6 1 1 A 18 18 CYS CB C 18 32.295 30.003 2.292 1
1 107 . 6 1 1 A 18 18 CYS C C 18 176.224 175.436 0.788 1
1 109 . 6 1 1 A 19 19 GLY N N 19 112.718 110.001 2.717 1
1 110 . 6 1 1 A 19 19 GLY H H 19 8.032 7.942 0.090 1
1 111 . 6 1 1 A 19 19 GLY CA C 19 46.253 46.017 0.236 1
1 112 . 6 1 1 A 19 19 GLY HA3 H 19 4.228 4.030 0.198 1
1 113 . 6 1 1 A 19 19 GLY C C 19 174.201 174.257 -0.056 1
1 114 . 6 1 1 A 19 19 GLY HA2 H 19 3.901 4.018 -0.117 1
1 115 . 6 1 1 A 20 20 LYS N N 20 122.353 119.515 2.838 1
1 116 . 6 1 1 A 20 20 LYS H H 20 7.856 7.755 0.101 1
1 117 . 6 1 1 A 20 20 LYS CA C 20 57.657 54.546 3.111 1
1 118 . 6 1 1 A 20 20 LYS HA H 20 4.043 4.389 -0.346 1
1 119 . 6 1 1 A 20 20 LYS CB C 20 34.015 34.599 -0.584 1
1 127 . 6 1 1 A 20 20 LYS C C 20 173.954 175.226 -1.272 1
1 132 . 6 1 1 A 21 21 ASN N N 21 117.851 123.057 -5.206 1
1 133 . 6 1 1 A 21 21 ASN H H 21 7.905 8.646 -0.741 1
1 134 . 6 1 1 A 21 21 ASN CA C 21 51.903 51.609 0.294 1
1 135 . 6 1 1 A 21 21 ASN HA H 21 5.337 4.811 0.526 1
1 136 . 6 1 1 A 21 21 ASN CB C 21 41.671 39.826 1.845 1
1 141 . 6 1 1 A 21 21 ASN C C 21 174.118 174.021 0.097 1
1 143 . 6 1 1 A 22 22 PHE N N 22 117.132 118.255 -1.123 1
1 144 . 6 1 1 A 22 22 PHE H H 22 8.604 8.715 -0.111 1
1 145 . 6 1 1 A 22 22 PHE CA C 22 57.519 56.330 1.189 1
1 146 . 6 1 1 A 22 22 PHE HA H 22 4.753 4.892 -0.139 1
1 147 . 6 1 1 A 22 22 PHE CB C 22 43.604 43.986 -0.382 1
1 159 . 6 1 1 A 22 22 PHE C C 22 175.478 175.156 0.322 1
1 161 . 6 1 1 A 23 23 GLY CA C 23 45.805 45.355 0.450 1
1 162 . 6 1 1 A 23 23 GLY HA3 H 23 4.493 4.247 0.246 1
1 163 . 6 1 1 A 23 23 GLY HA2 H 23 4.065 4.107 -0.042 1
1 164 . 6 1 1 A 24 24 ARG N N 24 115.504 118.810 -3.306 1
1 165 . 6 1 1 A 24 24 ARG H H 24 7.280 7.056 0.224 1
1 166 . 6 1 1 A 24 24 ARG CA C 24 53.903 53.628 0.275 1
1 167 . 6 1 1 A 24 24 ARG HA H 24 4.647 4.624 0.023 1
1 168 . 6 1 1 A 24 24 ARG CB C 24 33.063 34.012 -0.949 1
1 177 . 6 1 1 A 25 25 HIS N N 25 112.630 123.038 -10.408 1
1 178 . 6 1 1 A 25 25 HIS H H 25 8.702 9.065 -0.363 1
1 179 . 6 1 1 A 25 25 HIS CA C 25 60.282 60.283 -0.001 1
1 180 . 6 1 1 A 25 25 HIS HA H 25 3.275 4.024 -0.749 1
1 181 . 6 1 1 A 25 25 HIS CB C 25 30.569 30.573 -0.004 1
1 188 . 6 1 1 A 26 26 SER CA C 26 61.201 61.222 -0.021 1
1 189 . 6 1 1 A 26 26 SER HA H 26 3.832 3.882 -0.050 1
1 190 . 6 1 1 A 26 26 SER CB C 26 61.402 62.098 -0.696 1
1 192 . 6 1 1 A 26 26 SER C C 26 176.998 176.951 0.047 1
1 194 . 6 1 1 A 27 27 HIS N N 27 120.791 118.470 2.321 1
1 195 . 6 1 1 A 27 27 HIS H H 27 6.716 8.195 -1.479 1
1 196 . 6 1 1 A 27 27 HIS CA C 27 56.885 58.947 -2.062 1
1 197 . 6 1 1 A 27 27 HIS HA H 27 4.438 4.091 0.347 1
1 198 . 6 1 1 A 27 27 HIS CB C 27 31.710 29.898 1.812 1
1 204 . 6 1 1 A 27 27 HIS C C 27 178.259 177.171 1.088 1
1 206 . 6 1 1 A 28 28 LEU N N 28 121.891 120.144 1.747 1
1 207 . 6 1 1 A 28 28 LEU H H 28 7.048 7.331 -0.283 1
1 208 . 6 1 1 A 28 28 LEU CA C 28 57.858 58.035 -0.177 1
1 209 . 6 1 1 A 28 28 LEU HA H 28 3.316 3.068 0.248 1
1 210 . 6 1 1 A 28 28 LEU CB C 28 40.235 41.559 -1.324 1
1 222 . 6 1 1 A 28 28 LEU C C 28 177.276 178.512 -1.236 1
1 224 . 6 1 1 A 29 29 ILE N N 29 118.247 119.776 -1.529 1
1 225 . 6 1 1 A 29 29 ILE H H 29 7.890 7.904 -0.014 1
1 226 . 6 1 1 A 29 29 ILE CA C 29 63.737 65.534 -1.797 1
1 227 . 6 1 1 A 29 29 ILE HA H 29 3.547 3.480 0.067 1
1 228 . 6 1 1 A 29 29 ILE CB C 29 36.186 37.593 -1.407 1
1 240 . 6 1 1 A 29 29 ILE C C 29 178.830 177.549 1.281 1
1 242 . 6 1 1 A 30 30 GLU N N 30 117.991 119.274 -1.283 1
1 243 . 6 1 1 A 30 30 GLU H H 30 7.499 7.950 -0.451 1
1 244 . 6 1 1 A 30 30 GLU CA C 30 59.104 59.597 -0.493 1
1 245 . 6 1 1 A 30 30 GLU HA H 30 3.959 3.835 0.124 1
1 246 . 6 1 1 A 30 30 GLU CB C 30 29.435 29.311 0.124 1
1 250 . 6 1 1 A 30 30 GLU C C 30 178.622 178.919 -0.297 1
1 253 . 6 1 1 A 31 31 HIS N N 31 119.737 119.873 -0.136 1
1 254 . 6 1 1 A 31 31 HIS H H 31 7.541 7.562 -0.021 1
1 255 . 6 1 1 A 31 31 HIS CA C 31 59.599 59.737 -0.138 1
1 256 . 6 1 1 A 31 31 HIS HA H 31 4.113 4.171 -0.058 1
1 257 . 6 1 1 A 31 31 HIS CB C 31 28.503 29.881 -1.378 1
1 263 . 6 1 1 A 31 31 HIS C C 31 177.036 176.957 0.079 1
1 265 . 6 1 1 A 32 32 LEU N N 32 118.963 118.602 0.361 1
1 266 . 6 1 1 A 32 32 LEU H H 32 8.669 8.755 -0.086 1
1 267 . 6 1 1 A 32 32 LEU CA C 32 58.231 56.984 1.247 1
1 268 . 6 1 1 A 32 32 LEU HA H 32 3.868 3.789 0.079 1
1 269 . 6 1 1 A 32 32 LEU CB C 32 41.914 41.433 0.481 1
1 281 . 6 1 1 A 32 32 LEU C C 32 179.605 179.189 0.416 1
1 283 . 6 1 1 A 33 33 LYS N N 33 117.980 119.845 -1.865 1
1 284 . 6 1 1 A 33 33 LYS H H 33 7.426 8.021 -0.595 1
1 285 . 6 1 1 A 33 33 LYS CA C 33 59.259 59.842 -0.583 1
1 286 . 6 1 1 A 33 33 LYS HA H 33 3.964 3.952 0.012 1
1 287 . 6 1 1 A 33 33 LYS CB C 33 32.436 31.927 0.509 1
1 295 . 6 1 1 A 33 33 LYS C C 33 178.878 179.524 -0.646 1
1 300 . 6 1 1 A 34 34 ARG N N 34 117.379 120.577 -3.198 1
1 301 . 6 1 1 A 34 34 ARG H H 34 7.659 7.696 -0.037 1
1 302 . 6 1 1 A 34 34 ARG CA C 34 57.923 59.318 -1.395 1
1 303 . 6 1 1 A 34 34 ARG HA H 34 4.030 3.969 0.061 1
1 304 . 6 1 1 A 34 34 ARG CB C 34 29.157 29.677 -0.520 1
1 310 . 6 1 1 A 34 34 ARG C C 34 178.055 177.961 0.094 1
1 314 . 6 1 1 A 35 35 HIS N N 35 115.913 116.876 -0.963 1
1 315 . 6 1 1 A 35 35 HIS H H 35 7.257 7.314 -0.057 1
1 316 . 6 1 1 A 35 35 HIS CA C 35 56.578 56.128 0.450 1
1 317 . 6 1 1 A 35 35 HIS HA H 35 4.629 4.633 -0.004 1
1 318 . 6 1 1 A 35 35 HIS CB C 35 28.654 29.098 -0.444 1
1 324 . 6 1 1 A 35 35 HIS C C 35 175.953 175.404 0.549 1
1 326 . 6 1 1 A 36 36 PHE N N 36 119.384 119.246 0.138 1
1 327 . 6 1 1 A 36 36 PHE H H 36 7.760 8.302 -0.542 1
1 328 . 6 1 1 A 36 36 PHE CA C 36 58.890 59.363 -0.473 1
1 329 . 6 1 1 A 36 36 PHE HA H 36 4.543 4.756 -0.213 1
1 330 . 6 1 1 A 36 36 PHE CB C 36 39.026 41.570 -2.544 1
1 342 . 6 1 1 A 36 36 PHE C C 36 176.549 175.609 0.940 1
1 344 . 6 1 1 A 37 37 ARG N N 37 121.608 120.390 1.218 1
1 345 . 6 1 1 A 37 37 ARG H H 37 8.099 7.995 0.104 1
1 346 . 6 1 1 A 37 37 ARG CA C 37 56.871 55.171 1.700 1
1 347 . 6 1 1 A 37 37 ARG HA H 37 4.231 4.324 -0.093 1
1 348 . 6 1 1 A 37 37 ARG CB C 37 30.858 32.010 -1.152 1
1 354 . 6 1 1 A 37 37 ARG C C 37 176.808 176.777 0.031 1
1 358 . 6 1 1 A 38 38 GLU N N 38 120.749 123.861 -3.112 1
1 359 . 6 1 1 A 38 38 GLU H H 38 8.205 9.050 -0.845 1
1 360 . 6 1 1 A 38 38 GLU CA C 38 57.166 57.117 0.049 1
1 361 . 6 1 1 A 38 38 GLU HA H 38 4.194 3.931 0.263 1
1 362 . 6 1 1 A 38 38 GLU CB C 38 30.047 28.291 1.756 1
1 366 . 6 1 1 A 38 38 GLU C C 38 176.985 175.664 1.321 1
1 369 . 6 1 1 A 39 39 LYS N N 39 121.011 120.099 0.912 1
1 370 . 6 1 1 A 39 39 LYS H H 39 8.130 7.715 0.415 1
1 371 . 6 1 1 A 39 39 LYS CA C 39 56.734 56.736 -0.002 1
1 372 . 6 1 1 A 39 39 LYS HA H 39 4.315 4.155 0.160 1
1 373 . 6 1 1 A 39 39 LYS CB C 39 32.934 33.068 -0.134 1
1 381 . 6 1 1 A 39 39 LYS C C 39 176.838 177.484 -0.646 1
1 386 . 6 1 1 A 40 40 SER N N 40 116.295 117.559 -1.264 1
1 387 . 6 1 1 A 40 40 SER H H 40 8.203 8.846 -0.643 1
1 388 . 6 1 1 A 40 40 SER CA C 40 58.413 59.126 -0.713 1
1 389 . 6 1 1 A 40 40 SER HA H 40 4.474 4.059 0.415 1
1 390 . 6 1 1 A 40 40 SER CB C 40 63.797 61.999 1.798 1
1 392 . 6 1 1 A 40 40 SER C C 40 174.559 172.943 1.616 1
1 394 . 6 1 1 A 41 41 SER N N 41 117.522 115.114 2.408 1
1 395 . 6 1 1 A 41 41 SER H H 41 8.267 7.588 0.679 1
1 396 . 6 1 1 A 41 41 SER CA C 41 58.400 57.803 0.597 1
1 397 . 6 1 1 A 41 41 SER HA H 41 4.488 5.141 -0.653 1
1 398 . 6 1 1 A 41 41 SER CB C 41 64.016 66.514 -2.498 1
1 400 . 6 1 1 A 41 41 SER C C 41 174.474 173.087 1.387 1
1 402 . 6 1 1 A 42 42 GLY N N 42 110.551 110.764 -0.213 1
1 403 . 6 1 1 A 42 42 GLY H H 42 8.215 8.301 -0.086 1
1 404 . 6 1 1 A 42 42 GLY CA C 42 44.645 44.099 0.546 1
1 405 . 6 1 1 A 42 42 GLY HA3 H 42 4.143 4.128 0.015 1
1 406 . 6 1 1 A 42 42 GLY C C 42 171.741 173.177 -1.436 1
1 407 . 6 1 1 A 42 42 GLY HA2 H 42 4.143 4.126 0.017 1
1 408 . 6 1 1 A 43 43 PRO CA C 43 63.271 62.833 0.438 1
1 409 . 6 1 1 A 43 43 PRO HA H 43 4.488 4.620 -0.132 1
1 410 . 6 1 1 A 43 43 PRO CB C 43 32.184 32.138 0.046 1
1 416 . 6 1 1 A 43 43 PRO C C 43 177.380 176.470 0.910 1
1 420 . 6 1 1 A 44 44 SER N N 44 116.453 115.421 1.032 1
1 421 . 6 1 1 A 44 44 SER H H 44 8.540 8.333 0.207 1
1 1 . 7 1 1 A 8 8 SER CA C 8 58.454 59.983 -1.529 1
1 2 . 7 1 1 A 8 8 SER HA H 8 4.440 4.256 0.184 1
1 3 . 7 1 1 A 8 8 SER CB C 8 63.904 62.745 1.159 1
1 5 . 7 1 1 A 8 8 SER C C 8 175.126 174.764 0.362 1
1 7 . 7 1 1 A 9 9 GLY N N 9 110.864 116.279 -5.415 1
1 8 . 7 1 1 A 9 9 GLY H H 9 8.493 8.837 -0.344 1
1 9 . 7 1 1 A 9 9 GLY CA C 9 45.376 45.052 0.324 1
1 10 . 7 1 1 A 9 9 GLY C C 9 174.128 175.317 -1.189 1
1 11 . 7 1 1 A 9 9 GLY HA2 H 9 3.960 3.990 -0.030 1
1 12 . 7 1 1 A 10 10 GLU N N 10 120.050 120.993 -0.943 1
1 13 . 7 1 1 A 10 10 GLU H H 10 8.255 8.715 -0.460 1
1 14 . 7 1 1 A 10 10 GLU CA C 10 56.893 56.122 0.771 1
1 15 . 7 1 1 A 10 10 GLU HA H 10 4.236 4.507 -0.271 1
1 16 . 7 1 1 A 10 10 GLU CB C 10 30.417 29.367 1.050 1
1 20 . 7 1 1 A 10 10 GLU C C 10 176.477 175.914 0.563 1
1 23 . 7 1 1 A 11 11 ARG N N 11 121.287 117.606 3.681 1
1 24 . 7 1 1 A 11 11 ARG H H 11 8.311 8.144 0.167 1
1 25 . 7 1 1 A 11 11 ARG CA C 11 53.586 56.966 -3.380 1
1 26 . 7 1 1 A 11 11 ARG HA H 11 4.588 4.273 0.315 1
1 27 . 7 1 1 A 11 11 ARG CB C 11 30.618 27.933 2.685 1
1 33 . 7 1 1 A 11 11 ARG C C 11 173.631 176.642 -3.011 1
1 37 . 7 1 1 A 12 12 PRO CA C 12 63.542 64.589 -1.047 1
1 38 . 7 1 1 A 12 12 PRO HA H 12 4.349 4.481 -0.132 1
1 39 . 7 1 1 A 12 12 PRO CB C 12 32.216 31.542 0.674 1
1 45 . 7 1 1 A 12 12 PRO C C 12 176.387 175.921 0.466 1
1 49 . 7 1 1 A 13 13 TYR N N 13 119.060 116.932 2.128 1
1 50 . 7 1 1 A 13 13 TYR H H 13 8.102 8.096 0.006 1
1 51 . 7 1 1 A 13 13 TYR CA C 13 56.965 57.176 -0.211 1
1 52 . 7 1 1 A 13 13 TYR HA H 13 4.754 4.874 -0.120 1
1 53 . 7 1 1 A 13 13 TYR CB C 13 38.432 38.067 0.365 1
1 63 . 7 1 1 A 13 13 TYR C C 13 175.135 176.198 -1.063 1
1 65 . 7 1 1 A 14 14 GLY N N 14 111.562 108.210 3.352 1
1 66 . 7 1 1 A 14 14 GLY H H 14 8.513 8.090 0.423 1
1 67 . 7 1 1 A 14 14 GLY CA C 14 45.058 45.276 -0.218 1
1 68 . 7 1 1 A 14 14 GLY HA3 H 14 4.932 4.015 0.917 1
1 69 . 7 1 1 A 14 14 GLY C C 14 172.508 172.284 0.224 1
1 70 . 7 1 1 A 14 14 GLY HA2 H 14 3.638 3.985 -0.347 1
1 71 . 7 1 1 A 15 15 CYS N N 15 124.194 119.840 4.354 1
1 72 . 7 1 1 A 15 15 CYS H H 15 9.008 8.380 0.628 1
1 73 . 7 1 1 A 15 15 CYS CA C 15 58.959 57.530 1.429 1
1 74 . 7 1 1 A 15 15 CYS HA H 15 4.695 5.301 -0.606 1
1 75 . 7 1 1 A 15 15 CYS CB C 15 30.119 31.116 -0.997 1
1 77 . 7 1 1 A 15 15 CYS C C 15 177.447 174.848 2.599 1
1 79 . 7 1 1 A 16 16 ASN N N 16 129.997 125.174 4.823 1
1 80 . 7 1 1 A 16 16 ASN H H 16 9.480 9.083 0.397 1
1 81 . 7 1 1 A 16 16 ASN CA C 16 55.267 52.498 2.769 1
1 82 . 7 1 1 A 16 16 ASN HA H 16 4.625 5.141 -0.516 1
1 83 . 7 1 1 A 16 16 ASN CB C 16 38.516 38.981 -0.465 1
1 88 . 7 1 1 A 16 16 ASN C C 16 175.463 175.593 -0.130 1
1 90 . 7 1 1 A 17 17 GLU N N 17 121.690 118.470 3.220 1
1 91 . 7 1 1 A 17 17 GLU H H 17 9.024 7.532 1.492 1
1 92 . 7 1 1 A 17 17 GLU CA C 17 58.253 57.148 1.105 1
1 93 . 7 1 1 A 17 17 GLU HA H 17 4.239 4.487 -0.248 1
1 94 . 7 1 1 A 17 17 GLU CB C 17 29.490 31.759 -2.269 1
1 98 . 7 1 1 A 17 17 GLU C C 17 177.355 177.739 -0.384 1
1 101 . 7 1 1 A 18 18 CYS N N 18 115.999 114.719 1.280 1
1 102 . 7 1 1 A 18 18 CYS H H 18 8.351 7.511 0.840 1
1 103 . 7 1 1 A 18 18 CYS CA C 18 58.536 59.591 -1.055 1
1 104 . 7 1 1 A 18 18 CYS HA H 18 5.170 4.633 0.537 1
1 105 . 7 1 1 A 18 18 CYS CB C 18 32.295 29.938 2.357 1
1 107 . 7 1 1 A 18 18 CYS C C 18 176.224 175.305 0.919 1
1 109 . 7 1 1 A 19 19 GLY N N 19 112.718 109.891 2.827 1
1 110 . 7 1 1 A 19 19 GLY H H 19 8.032 8.153 -0.121 1
1 111 . 7 1 1 A 19 19 GLY CA C 19 46.253 45.527 0.726 1
1 112 . 7 1 1 A 19 19 GLY HA3 H 19 4.228 4.046 0.182 1
1 113 . 7 1 1 A 19 19 GLY C C 19 174.201 174.043 0.158 1
1 114 . 7 1 1 A 19 19 GLY HA2 H 19 3.901 4.040 -0.139 1
1 115 . 7 1 1 A 20 20 LYS N N 20 122.353 119.021 3.332 1
1 116 . 7 1 1 A 20 20 LYS H H 20 7.856 7.773 0.083 1
1 117 . 7 1 1 A 20 20 LYS CA C 20 57.657 53.965 3.692 1
1 118 . 7 1 1 A 20 20 LYS HA H 20 4.043 4.632 -0.589 1
1 119 . 7 1 1 A 20 20 LYS CB C 20 34.015 35.244 -1.229 1
1 127 . 7 1 1 A 20 20 LYS C C 20 173.954 174.361 -0.407 1
1 132 . 7 1 1 A 21 21 ASN N N 21 117.851 118.080 -0.229 1
1 133 . 7 1 1 A 21 21 ASN H H 21 7.905 8.420 -0.515 1
1 134 . 7 1 1 A 21 21 ASN CA C 21 51.903 50.855 1.048 1
1 135 . 7 1 1 A 21 21 ASN HA H 21 5.337 5.505 -0.168 1
1 136 . 7 1 1 A 21 21 ASN CB C 21 41.671 42.339 -0.668 1
1 141 . 7 1 1 A 21 21 ASN C C 21 174.118 173.025 1.093 1
1 143 . 7 1 1 A 22 22 PHE N N 22 117.132 116.674 0.458 1
1 144 . 7 1 1 A 22 22 PHE H H 22 8.604 8.494 0.110 1
1 145 . 7 1 1 A 22 22 PHE CA C 22 57.519 56.388 1.131 1
1 146 . 7 1 1 A 22 22 PHE HA H 22 4.753 4.764 -0.011 1
1 147 . 7 1 1 A 22 22 PHE CB C 22 43.604 43.978 -0.374 1
1 159 . 7 1 1 A 22 22 PHE C C 22 175.478 175.307 0.171 1
1 161 . 7 1 1 A 23 23 GLY CA C 23 45.805 46.337 -0.532 1
1 162 . 7 1 1 A 23 23 GLY HA3 H 23 4.493 4.073 0.420 1
1 163 . 7 1 1 A 23 23 GLY HA2 H 23 4.065 4.028 0.037 1
1 164 . 7 1 1 A 24 24 ARG N N 24 115.504 120.468 -4.964 1
1 165 . 7 1 1 A 24 24 ARG H H 24 7.280 7.527 -0.247 1
1 166 . 7 1 1 A 24 24 ARG CA C 24 53.903 55.572 -1.669 1
1 167 . 7 1 1 A 24 24 ARG HA H 24 4.647 4.263 0.384 1
1 168 . 7 1 1 A 24 24 ARG CB C 24 33.063 31.135 1.928 1
1 177 . 7 1 1 A 25 25 HIS N N 25 112.630 122.524 -9.894 1
1 178 . 7 1 1 A 25 25 HIS H H 25 8.702 8.864 -0.162 1
1 179 . 7 1 1 A 25 25 HIS CA C 25 60.282 59.758 0.524 1
1 180 . 7 1 1 A 25 25 HIS HA H 25 3.275 3.854 -0.579 1
1 181 . 7 1 1 A 25 25 HIS CB C 25 30.569 30.235 0.334 1
1 188 . 7 1 1 A 26 26 SER CA C 26 61.201 62.295 -1.094 1
1 189 . 7 1 1 A 26 26 SER HA H 26 3.832 3.762 0.070 1
1 190 . 7 1 1 A 26 26 SER CB C 26 61.402 62.783 -1.381 1
1 192 . 7 1 1 A 26 26 SER C C 26 176.998 175.529 1.469 1
1 194 . 7 1 1 A 27 27 HIS N N 27 120.791 121.624 -0.833 1
1 195 . 7 1 1 A 27 27 HIS H H 27 6.716 8.057 -1.341 1
1 196 . 7 1 1 A 27 27 HIS CA C 27 56.885 59.772 -2.887 1
1 197 . 7 1 1 A 27 27 HIS HA H 27 4.438 3.815 0.623 1
1 198 . 7 1 1 A 27 27 HIS CB C 27 31.710 29.867 1.843 1
1 204 . 7 1 1 A 27 27 HIS C C 27 178.259 176.006 2.253 1
1 206 . 7 1 1 A 28 28 LEU N N 28 121.891 119.722 2.169 1
1 207 . 7 1 1 A 28 28 LEU H H 28 7.048 7.783 -0.735 1
1 208 . 7 1 1 A 28 28 LEU CA C 28 57.858 58.001 -0.143 1
1 209 . 7 1 1 A 28 28 LEU HA H 28 3.316 3.672 -0.356 1
1 210 . 7 1 1 A 28 28 LEU CB C 28 40.235 42.050 -1.815 1
1 222 . 7 1 1 A 28 28 LEU C C 28 177.276 178.243 -0.967 1
1 224 . 7 1 1 A 29 29 ILE N N 29 118.247 119.698 -1.451 1
1 225 . 7 1 1 A 29 29 ILE H H 29 7.890 7.634 0.256 1
1 226 . 7 1 1 A 29 29 ILE CA C 29 63.737 65.551 -1.814 1
1 227 . 7 1 1 A 29 29 ILE HA H 29 3.547 3.515 0.032 1
1 228 . 7 1 1 A 29 29 ILE CB C 29 36.186 37.590 -1.404 1
1 240 . 7 1 1 A 29 29 ILE C C 29 178.830 177.685 1.145 1
1 242 . 7 1 1 A 30 30 GLU N N 30 117.991 119.298 -1.307 1
1 243 . 7 1 1 A 30 30 GLU H H 30 7.499 8.209 -0.710 1
1 244 . 7 1 1 A 30 30 GLU CA C 30 59.104 59.657 -0.553 1
1 245 . 7 1 1 A 30 30 GLU HA H 30 3.959 3.872 0.087 1
1 246 . 7 1 1 A 30 30 GLU CB C 30 29.435 29.243 0.192 1
1 250 . 7 1 1 A 30 30 GLU C C 30 178.622 179.072 -0.450 1
1 253 . 7 1 1 A 31 31 HIS N N 31 119.737 120.401 -0.664 1
1 254 . 7 1 1 A 31 31 HIS H H 31 7.541 7.679 -0.138 1
1 255 . 7 1 1 A 31 31 HIS CA C 31 59.599 59.632 -0.033 1
1 256 . 7 1 1 A 31 31 HIS HA H 31 4.113 4.078 0.035 1
1 257 . 7 1 1 A 31 31 HIS CB C 31 28.503 29.419 -0.916 1
1 263 . 7 1 1 A 31 31 HIS C C 31 177.036 177.118 -0.082 1
1 265 . 7 1 1 A 32 32 LEU N N 32 118.963 119.139 -0.176 1
1 266 . 7 1 1 A 32 32 LEU H H 32 8.669 8.659 0.010 1
1 267 . 7 1 1 A 32 32 LEU CA C 32 58.231 57.830 0.401 1
1 268 . 7 1 1 A 32 32 LEU HA H 32 3.868 3.679 0.189 1
1 269 . 7 1 1 A 32 32 LEU CB C 32 41.914 41.251 0.663 1
1 281 . 7 1 1 A 32 32 LEU C C 32 179.605 178.885 0.720 1
1 283 . 7 1 1 A 33 33 LYS N N 33 117.980 117.238 0.742 1
1 284 . 7 1 1 A 33 33 LYS H H 33 7.426 8.132 -0.706 1
1 285 . 7 1 1 A 33 33 LYS CA C 33 59.259 60.232 -0.973 1
1 286 . 7 1 1 A 33 33 LYS HA H 33 3.964 3.895 0.069 1
1 287 . 7 1 1 A 33 33 LYS CB C 33 32.436 32.282 0.154 1
1 295 . 7 1 1 A 33 33 LYS C C 33 178.878 179.419 -0.541 1
1 300 . 7 1 1 A 34 34 ARG N N 34 117.379 119.687 -2.308 1
1 301 . 7 1 1 A 34 34 ARG H H 34 7.659 7.395 0.264 1
1 302 . 7 1 1 A 34 34 ARG CA C 34 57.923 59.243 -1.320 1
1 303 . 7 1 1 A 34 34 ARG HA H 34 4.030 3.928 0.102 1
1 304 . 7 1 1 A 34 34 ARG CB C 34 29.157 29.753 -0.596 1
1 310 . 7 1 1 A 34 34 ARG C C 34 178.055 178.673 -0.618 1
1 314 . 7 1 1 A 35 35 HIS N N 35 115.913 118.497 -2.584 1
1 315 . 7 1 1 A 35 35 HIS H H 35 7.257 7.734 -0.477 1
1 316 . 7 1 1 A 35 35 HIS CA C 35 56.578 58.940 -2.362 1
1 317 . 7 1 1 A 35 35 HIS HA H 35 4.629 4.186 0.443 1
1 318 . 7 1 1 A 35 35 HIS CB C 35 28.654 29.893 -1.239 1
1 324 . 7 1 1 A 35 35 HIS C C 35 175.953 177.886 -1.933 1
1 326 . 7 1 1 A 36 36 PHE N N 36 119.384 119.264 0.120 1
1 327 . 7 1 1 A 36 36 PHE H H 36 7.760 8.324 -0.564 1
1 328 . 7 1 1 A 36 36 PHE CA C 36 58.890 61.498 -2.608 1
1 329 . 7 1 1 A 36 36 PHE HA H 36 4.543 4.049 0.494 1
1 330 . 7 1 1 A 36 36 PHE CB C 36 39.026 39.268 -0.242 1
1 342 . 7 1 1 A 36 36 PHE C C 36 176.549 176.394 0.155 1
1 344 . 7 1 1 A 37 37 ARG N N 37 121.608 119.966 1.642 1
1 345 . 7 1 1 A 37 37 ARG H H 37 8.099 8.217 -0.118 1
1 346 . 7 1 1 A 37 37 ARG CA C 37 56.871 56.215 0.656 1
1 347 . 7 1 1 A 37 37 ARG HA H 37 4.231 4.316 -0.085 1
1 348 . 7 1 1 A 37 37 ARG CB C 37 30.858 30.998 -0.140 1
1 354 . 7 1 1 A 37 37 ARG C C 37 176.808 175.348 1.460 1
1 358 . 7 1 1 A 38 38 GLU N N 38 120.749 125.502 -4.753 1
1 359 . 7 1 1 A 38 38 GLU H H 38 8.205 8.671 -0.466 1
1 360 . 7 1 1 A 38 38 GLU CA C 38 57.166 55.437 1.729 1
1 361 . 7 1 1 A 38 38 GLU HA H 38 4.194 4.438 -0.244 1
1 362 . 7 1 1 A 38 38 GLU CB C 38 30.047 29.176 0.871 1
1 366 . 7 1 1 A 38 38 GLU C C 38 176.985 175.409 1.576 1
1 369 . 7 1 1 A 39 39 LYS N N 39 121.011 130.188 -9.177 1
1 370 . 7 1 1 A 39 39 LYS H H 39 8.130 8.201 -0.071 1
1 371 . 7 1 1 A 39 39 LYS CA C 39 56.734 57.385 -0.651 1
1 372 . 7 1 1 A 39 39 LYS HA H 39 4.315 4.415 -0.100 1
1 373 . 7 1 1 A 39 39 LYS CB C 39 32.934 32.639 0.295 1
1 381 . 7 1 1 A 39 39 LYS C C 39 176.838 176.348 0.490 1
1 386 . 7 1 1 A 40 40 SER N N 40 116.295 124.085 -7.790 1
1 387 . 7 1 1 A 40 40 SER H H 40 8.203 8.907 -0.704 1
1 388 . 7 1 1 A 40 40 SER CA C 40 58.413 56.999 1.414 1
1 389 . 7 1 1 A 40 40 SER HA H 40 4.474 4.804 -0.330 1
1 390 . 7 1 1 A 40 40 SER CB C 40 63.797 64.109 -0.312 1
1 392 . 7 1 1 A 40 40 SER C C 40 174.559 173.257 1.302 1
1 394 . 7 1 1 A 41 41 SER N N 41 117.522 119.794 -2.272 1
1 395 . 7 1 1 A 41 41 SER H H 41 8.267 8.151 0.116 1
1 396 . 7 1 1 A 41 41 SER CA C 41 58.400 56.819 1.581 1
1 397 . 7 1 1 A 41 41 SER HA H 41 4.488 4.770 -0.282 1
1 398 . 7 1 1 A 41 41 SER CB C 41 64.016 64.282 -0.266 1
1 400 . 7 1 1 A 41 41 SER C C 41 174.474 174.538 -0.064 1
1 402 . 7 1 1 A 42 42 GLY N N 42 110.551 116.897 -6.346 1
1 403 . 7 1 1 A 42 42 GLY H H 42 8.215 8.790 -0.575 1
1 404 . 7 1 1 A 42 42 GLY CA C 42 44.645 44.447 0.198 1
1 405 . 7 1 1 A 42 42 GLY HA3 H 42 4.143 4.115 0.028 1
1 406 . 7 1 1 A 42 42 GLY C C 42 171.741 173.494 -1.753 1
1 407 . 7 1 1 A 42 42 GLY HA2 H 42 4.143 4.114 0.029 1
1 408 . 7 1 1 A 43 43 PRO CA C 43 63.271 62.740 0.531 1
1 409 . 7 1 1 A 43 43 PRO HA H 43 4.488 4.597 -0.109 1
1 410 . 7 1 1 A 43 43 PRO CB C 43 32.184 32.831 -0.647 1
1 416 . 7 1 1 A 43 43 PRO C C 43 177.380 176.825 0.555 1
1 420 . 7 1 1 A 44 44 SER N N 44 116.453 116.434 0.019 1
1 421 . 7 1 1 A 44 44 SER H H 44 8.540 8.757 -0.217 1
1 1 . 8 1 1 A 8 8 SER CA C 8 58.454 60.685 -2.231 1
1 2 . 8 1 1 A 8 8 SER HA H 8 4.440 4.529 -0.089 1
1 3 . 8 1 1 A 8 8 SER CB C 8 63.904 63.727 0.177 1
1 5 . 8 1 1 A 8 8 SER C C 8 175.126 175.588 -0.462 1
1 7 . 8 1 1 A 9 9 GLY N N 9 110.864 106.074 4.790 1
1 8 . 8 1 1 A 9 9 GLY H H 9 8.493 7.641 0.852 1
1 9 . 8 1 1 A 9 9 GLY CA C 9 45.376 45.687 -0.311 1
1 10 . 8 1 1 A 9 9 GLY C C 9 174.128 173.914 0.214 1
1 11 . 8 1 1 A 9 9 GLY HA2 H 9 3.960 4.054 -0.094 1
1 12 . 8 1 1 A 10 10 GLU N N 10 120.050 117.312 2.738 1
1 13 . 8 1 1 A 10 10 GLU H H 10 8.255 7.874 0.381 1
1 14 . 8 1 1 A 10 10 GLU CA C 10 56.893 54.799 2.094 1
1 15 . 8 1 1 A 10 10 GLU HA H 10 4.236 4.829 -0.593 1
1 16 . 8 1 1 A 10 10 GLU CB C 10 30.417 32.676 -2.259 1
1 20 . 8 1 1 A 10 10 GLU C C 10 176.477 176.170 0.307 1
1 23 . 8 1 1 A 11 11 ARG N N 11 121.287 121.060 0.227 1
1 24 . 8 1 1 A 11 11 ARG H H 11 8.311 8.651 -0.340 1
1 25 . 8 1 1 A 11 11 ARG CA C 11 53.586 57.003 -3.417 1
1 26 . 8 1 1 A 11 11 ARG HA H 11 4.588 4.107 0.481 1
1 27 . 8 1 1 A 11 11 ARG CB C 11 30.618 28.039 2.579 1
1 33 . 8 1 1 A 11 11 ARG C C 11 173.631 176.647 -3.016 1
1 37 . 8 1 1 A 12 12 PRO CA C 12 63.542 64.941 -1.399 1
1 38 . 8 1 1 A 12 12 PRO HA H 12 4.349 4.451 -0.102 1
1 39 . 8 1 1 A 12 12 PRO CB C 12 32.216 31.697 0.519 1
1 45 . 8 1 1 A 12 12 PRO C C 12 176.387 176.376 0.011 1
1 49 . 8 1 1 A 13 13 TYR N N 13 119.060 117.285 1.775 1
1 50 . 8 1 1 A 13 13 TYR H H 13 8.102 8.168 -0.066 1
1 51 . 8 1 1 A 13 13 TYR CA C 13 56.965 57.616 -0.651 1
1 52 . 8 1 1 A 13 13 TYR HA H 13 4.754 4.812 -0.058 1
1 53 . 8 1 1 A 13 13 TYR CB C 13 38.432 37.687 0.745 1
1 63 . 8 1 1 A 13 13 TYR C C 13 175.135 176.381 -1.246 1
1 65 . 8 1 1 A 14 14 GLY N N 14 111.562 108.228 3.334 1
1 66 . 8 1 1 A 14 14 GLY H H 14 8.513 8.104 0.409 1
1 67 . 8 1 1 A 14 14 GLY CA C 14 45.058 45.694 -0.636 1
1 68 . 8 1 1 A 14 14 GLY HA3 H 14 4.932 4.013 0.919 1
1 69 . 8 1 1 A 14 14 GLY C C 14 172.508 172.268 0.240 1
1 70 . 8 1 1 A 14 14 GLY HA2 H 14 3.638 4.000 -0.362 1
1 71 . 8 1 1 A 15 15 CYS N N 15 124.194 120.432 3.762 1
1 72 . 8 1 1 A 15 15 CYS H H 15 9.008 8.528 0.480 1
1 73 . 8 1 1 A 15 15 CYS CA C 15 58.959 58.002 0.957 1
1 74 . 8 1 1 A 15 15 CYS HA H 15 4.695 5.026 -0.331 1
1 75 . 8 1 1 A 15 15 CYS CB C 15 30.119 29.869 0.250 1
1 77 . 8 1 1 A 15 15 CYS C C 15 177.447 175.029 2.418 1
1 79 . 8 1 1 A 16 16 ASN N N 16 129.997 125.984 4.013 1
1 80 . 8 1 1 A 16 16 ASN H H 16 9.480 8.945 0.535 1
1 81 . 8 1 1 A 16 16 ASN CA C 16 55.267 52.108 3.159 1
1 82 . 8 1 1 A 16 16 ASN HA H 16 4.625 5.038 -0.413 1
1 83 . 8 1 1 A 16 16 ASN CB C 16 38.516 38.963 -0.447 1
1 88 . 8 1 1 A 16 16 ASN C C 16 175.463 176.214 -0.751 1
1 90 . 8 1 1 A 17 17 GLU N N 17 121.690 120.859 0.831 1
1 91 . 8 1 1 A 17 17 GLU H H 17 9.024 7.549 1.475 1
1 92 . 8 1 1 A 17 17 GLU CA C 17 58.253 57.056 1.197 1
1 93 . 8 1 1 A 17 17 GLU HA H 17 4.239 4.513 -0.274 1
1 94 . 8 1 1 A 17 17 GLU CB C 17 29.490 32.074 -2.584 1
1 98 . 8 1 1 A 17 17 GLU C C 17 177.355 177.823 -0.468 1
1 101 . 8 1 1 A 18 18 CYS N N 18 115.999 114.748 1.251 1
1 102 . 8 1 1 A 18 18 CYS H H 18 8.351 7.615 0.736 1
1 103 . 8 1 1 A 18 18 CYS CA C 18 58.536 59.590 -1.054 1
1 104 . 8 1 1 A 18 18 CYS HA H 18 5.170 4.661 0.509 1
1 105 . 8 1 1 A 18 18 CYS CB C 18 32.295 29.836 2.459 1
1 107 . 8 1 1 A 18 18 CYS C C 18 176.224 175.370 0.854 1
1 109 . 8 1 1 A 19 19 GLY N N 19 112.718 109.872 2.846 1
1 110 . 8 1 1 A 19 19 GLY H H 19 8.032 8.298 -0.266 1
1 111 . 8 1 1 A 19 19 GLY CA C 19 46.253 45.367 0.886 1
1 112 . 8 1 1 A 19 19 GLY HA3 H 19 4.228 4.058 0.170 1
1 113 . 8 1 1 A 19 19 GLY C C 19 174.201 174.129 0.072 1
1 114 . 8 1 1 A 19 19 GLY HA2 H 19 3.901 4.055 -0.154 1
1 115 . 8 1 1 A 20 20 LYS N N 20 122.353 119.781 2.572 1
1 116 . 8 1 1 A 20 20 LYS H H 20 7.856 7.853 0.003 1
1 117 . 8 1 1 A 20 20 LYS CA C 20 57.657 54.587 3.070 1
1 118 . 8 1 1 A 20 20 LYS HA H 20 4.043 4.412 -0.369 1
1 119 . 8 1 1 A 20 20 LYS CB C 20 34.015 34.323 -0.308 1
1 127 . 8 1 1 A 20 20 LYS C C 20 173.954 175.207 -1.253 1
1 132 . 8 1 1 A 21 21 ASN N N 21 117.851 122.992 -5.141 1
1 133 . 8 1 1 A 21 21 ASN H H 21 7.905 8.448 -0.543 1
1 134 . 8 1 1 A 21 21 ASN CA C 21 51.903 51.778 0.125 1
1 135 . 8 1 1 A 21 21 ASN HA H 21 5.337 5.287 0.050 1
1 136 . 8 1 1 A 21 21 ASN CB C 21 41.671 40.524 1.147 1
1 141 . 8 1 1 A 21 21 ASN C C 21 174.118 173.712 0.406 1
1 143 . 8 1 1 A 22 22 PHE N N 22 117.132 117.728 -0.596 1
1 144 . 8 1 1 A 22 22 PHE H H 22 8.604 8.677 -0.073 1
1 145 . 8 1 1 A 22 22 PHE CA C 22 57.519 56.935 0.584 1
1 146 . 8 1 1 A 22 22 PHE HA H 22 4.753 4.839 -0.086 1
1 147 . 8 1 1 A 22 22 PHE CB C 22 43.604 43.088 0.516 1
1 159 . 8 1 1 A 22 22 PHE C C 22 175.478 175.613 -0.135 1
1 161 . 8 1 1 A 23 23 GLY CA C 23 45.805 45.285 0.520 1
1 162 . 8 1 1 A 23 23 GLY HA3 H 23 4.493 4.018 0.475 1
1 163 . 8 1 1 A 23 23 GLY HA2 H 23 4.065 3.923 0.142 1
1 164 . 8 1 1 A 24 24 ARG N N 24 115.504 118.964 -3.460 1
1 165 . 8 1 1 A 24 24 ARG H H 24 7.280 7.094 0.186 1
1 166 . 8 1 1 A 24 24 ARG CA C 24 53.903 53.377 0.526 1
1 167 . 8 1 1 A 24 24 ARG HA H 24 4.647 4.467 0.180 1
1 168 . 8 1 1 A 24 24 ARG CB C 24 33.063 34.018 -0.955 1
1 177 . 8 1 1 A 25 25 HIS N N 25 112.630 122.933 -10.303 1
1 178 . 8 1 1 A 25 25 HIS H H 25 8.702 8.770 -0.068 1
1 179 . 8 1 1 A 25 25 HIS CA C 25 60.282 59.289 0.993 1
1 180 . 8 1 1 A 25 25 HIS HA H 25 3.275 3.835 -0.560 1
1 181 . 8 1 1 A 25 25 HIS CB C 25 30.569 30.277 0.292 1
1 188 . 8 1 1 A 26 26 SER CA C 26 61.201 61.402 -0.201 1
1 189 . 8 1 1 A 26 26 SER HA H 26 3.832 3.929 -0.097 1
1 190 . 8 1 1 A 26 26 SER CB C 26 61.402 62.262 -0.860 1
1 192 . 8 1 1 A 26 26 SER C C 26 176.998 177.191 -0.193 1
1 194 . 8 1 1 A 27 27 HIS N N 27 120.791 118.546 2.245 1
1 195 . 8 1 1 A 27 27 HIS H H 27 6.716 8.081 -1.365 1
1 196 . 8 1 1 A 27 27 HIS CA C 27 56.885 58.634 -1.749 1
1 197 . 8 1 1 A 27 27 HIS HA H 27 4.438 4.036 0.402 1
1 198 . 8 1 1 A 27 27 HIS CB C 27 31.710 29.700 2.010 1
1 204 . 8 1 1 A 27 27 HIS C C 27 178.259 177.030 1.229 1
1 206 . 8 1 1 A 28 28 LEU N N 28 121.891 120.134 1.757 1
1 207 . 8 1 1 A 28 28 LEU H H 28 7.048 7.804 -0.756 1
1 208 . 8 1 1 A 28 28 LEU CA C 28 57.858 58.153 -0.295 1
1 209 . 8 1 1 A 28 28 LEU HA H 28 3.316 3.714 -0.398 1
1 210 . 8 1 1 A 28 28 LEU CB C 28 40.235 41.834 -1.599 1
1 222 . 8 1 1 A 28 28 LEU C C 28 177.276 178.565 -1.289 1
1 224 . 8 1 1 A 29 29 ILE N N 29 118.247 119.792 -1.545 1
1 225 . 8 1 1 A 29 29 ILE H H 29 7.890 7.778 0.112 1
1 226 . 8 1 1 A 29 29 ILE CA C 29 63.737 65.357 -1.620 1
1 227 . 8 1 1 A 29 29 ILE HA H 29 3.547 3.537 0.010 1
1 228 . 8 1 1 A 29 29 ILE CB C 29 36.186 37.655 -1.469 1
1 240 . 8 1 1 A 29 29 ILE C C 29 178.830 177.660 1.170 1
1 242 . 8 1 1 A 30 30 GLU N N 30 117.991 119.374 -1.383 1
1 243 . 8 1 1 A 30 30 GLU H H 30 7.499 7.933 -0.434 1
1 244 . 8 1 1 A 30 30 GLU CA C 30 59.104 59.617 -0.513 1
1 245 . 8 1 1 A 30 30 GLU HA H 30 3.959 3.858 0.101 1
1 246 . 8 1 1 A 30 30 GLU CB C 30 29.435 29.237 0.198 1
1 250 . 8 1 1 A 30 30 GLU C C 30 178.622 178.937 -0.315 1
1 253 . 8 1 1 A 31 31 HIS N N 31 119.737 120.140 -0.403 1
1 254 . 8 1 1 A 31 31 HIS H H 31 7.541 7.769 -0.228 1
1 255 . 8 1 1 A 31 31 HIS CA C 31 59.599 59.557 0.042 1
1 256 . 8 1 1 A 31 31 HIS HA H 31 4.113 4.024 0.089 1
1 257 . 8 1 1 A 31 31 HIS CB C 31 28.503 29.407 -0.904 1
1 263 . 8 1 1 A 31 31 HIS C C 31 177.036 176.588 0.448 1
1 265 . 8 1 1 A 32 32 LEU N N 32 118.963 118.568 0.395 1
1 266 . 8 1 1 A 32 32 LEU H H 32 8.669 8.604 0.065 1
1 267 . 8 1 1 A 32 32 LEU CA C 32 58.231 57.117 1.114 1
1 268 . 8 1 1 A 32 32 LEU HA H 32 3.868 3.793 0.075 1
1 269 . 8 1 1 A 32 32 LEU CB C 32 41.914 40.980 0.934 1
1 281 . 8 1 1 A 32 32 LEU C C 32 179.605 179.464 0.141 1
1 283 . 8 1 1 A 33 33 LYS N N 33 117.980 119.507 -1.527 1
1 284 . 8 1 1 A 33 33 LYS H H 33 7.426 8.262 -0.836 1
1 285 . 8 1 1 A 33 33 LYS CA C 33 59.259 60.091 -0.832 1
1 286 . 8 1 1 A 33 33 LYS HA H 33 3.964 3.843 0.121 1
1 287 . 8 1 1 A 33 33 LYS CB C 33 32.436 32.282 0.154 1
1 295 . 8 1 1 A 33 33 LYS C C 33 178.878 178.926 -0.048 1
1 300 . 8 1 1 A 34 34 ARG N N 34 117.379 118.022 -0.643 1
1 301 . 8 1 1 A 34 34 ARG H H 34 7.659 8.225 -0.566 1
1 302 . 8 1 1 A 34 34 ARG CA C 34 57.923 58.396 -0.473 1
1 303 . 8 1 1 A 34 34 ARG HA H 34 4.030 4.094 -0.064 1
1 304 . 8 1 1 A 34 34 ARG CB C 34 29.157 29.505 -0.348 1
1 310 . 8 1 1 A 34 34 ARG C C 34 178.055 177.115 0.940 1
1 314 . 8 1 1 A 35 35 HIS N N 35 115.913 117.204 -1.291 1
1 315 . 8 1 1 A 35 35 HIS H H 35 7.257 7.561 -0.304 1
1 316 . 8 1 1 A 35 35 HIS CA C 35 56.578 55.665 0.913 1
1 317 . 8 1 1 A 35 35 HIS HA H 35 4.629 4.626 0.003 1
1 318 . 8 1 1 A 35 35 HIS CB C 35 28.654 28.869 -0.215 1
1 324 . 8 1 1 A 35 35 HIS C C 35 175.953 175.416 0.537 1
1 326 . 8 1 1 A 36 36 PHE N N 36 119.384 120.110 -0.726 1
1 327 . 8 1 1 A 36 36 PHE H H 36 7.760 8.339 -0.579 1
1 328 . 8 1 1 A 36 36 PHE CA C 36 58.890 59.418 -0.528 1
1 329 . 8 1 1 A 36 36 PHE HA H 36 4.543 4.761 -0.218 1
1 330 . 8 1 1 A 36 36 PHE CB C 36 39.026 41.498 -2.472 1
1 342 . 8 1 1 A 36 36 PHE C C 36 176.549 176.036 0.513 1
1 344 . 8 1 1 A 37 37 ARG N N 37 121.608 119.353 2.255 1
1 345 . 8 1 1 A 37 37 ARG H H 37 8.099 7.946 0.153 1
1 346 . 8 1 1 A 37 37 ARG CA C 37 56.871 54.920 1.951 1
1 347 . 8 1 1 A 37 37 ARG HA H 37 4.231 4.399 -0.168 1
1 348 . 8 1 1 A 37 37 ARG CB C 37 30.858 28.987 1.871 1
1 354 . 8 1 1 A 37 37 ARG C C 37 176.808 175.230 1.578 1
1 358 . 8 1 1 A 38 38 GLU N N 38 120.749 123.886 -3.137 1
1 359 . 8 1 1 A 38 38 GLU H H 38 8.205 7.595 0.610 1
1 360 . 8 1 1 A 38 38 GLU CA C 38 57.166 56.737 0.429 1
1 361 . 8 1 1 A 38 38 GLU HA H 38 4.194 4.309 -0.115 1
1 362 . 8 1 1 A 38 38 GLU CB C 38 30.047 31.481 -1.434 1
1 366 . 8 1 1 A 38 38 GLU C C 38 176.985 177.531 -0.546 1
1 369 . 8 1 1 A 39 39 LYS N N 39 121.011 126.280 -5.269 1
1 370 . 8 1 1 A 39 39 LYS H H 39 8.130 8.569 -0.439 1
1 371 . 8 1 1 A 39 39 LYS CA C 39 56.734 59.847 -3.113 1
1 372 . 8 1 1 A 39 39 LYS HA H 39 4.315 3.955 0.360 1
1 373 . 8 1 1 A 39 39 LYS CB C 39 32.934 32.303 0.631 1
1 381 . 8 1 1 A 39 39 LYS C C 39 176.838 177.190 -0.352 1
1 386 . 8 1 1 A 40 40 SER N N 40 116.295 113.144 3.151 1
1 387 . 8 1 1 A 40 40 SER H H 40 8.203 7.845 0.358 1
1 388 . 8 1 1 A 40 40 SER CA C 40 58.413 56.533 1.880 1
1 389 . 8 1 1 A 40 40 SER HA H 40 4.474 4.624 -0.150 1
1 390 . 8 1 1 A 40 40 SER CB C 40 63.797 63.138 0.659 1
1 392 . 8 1 1 A 40 40 SER C C 40 174.559 174.051 0.508 1
1 394 . 8 1 1 A 41 41 SER N N 41 117.522 123.132 -5.610 1
1 395 . 8 1 1 A 41 41 SER H H 41 8.267 8.590 -0.323 1
1 396 . 8 1 1 A 41 41 SER CA C 41 58.400 60.629 -2.229 1
1 397 . 8 1 1 A 41 41 SER HA H 41 4.488 4.574 -0.086 1
1 398 . 8 1 1 A 41 41 SER CB C 41 64.016 63.822 0.194 1
1 400 . 8 1 1 A 41 41 SER C C 41 174.474 176.660 -2.186 1
1 402 . 8 1 1 A 42 42 GLY N N 42 110.551 109.299 1.252 1
1 403 . 8 1 1 A 42 42 GLY H H 42 8.215 8.165 0.050 1
1 404 . 8 1 1 A 42 42 GLY CA C 42 44.645 47.907 -3.262 1
1 405 . 8 1 1 A 42 42 GLY HA3 H 42 4.143 3.705 0.438 1
1 406 . 8 1 1 A 42 42 GLY C C 42 171.741 174.793 -3.052 1
1 407 . 8 1 1 A 42 42 GLY HA2 H 42 4.143 3.703 0.440 1
1 408 . 8 1 1 A 43 43 PRO CA C 43 63.271 62.848 0.423 1
1 409 . 8 1 1 A 43 43 PRO HA H 43 4.488 4.633 -0.145 1
1 410 . 8 1 1 A 43 43 PRO CB C 43 32.184 32.434 -0.250 1
1 416 . 8 1 1 A 43 43 PRO C C 43 177.380 175.358 2.022 1
1 420 . 8 1 1 A 44 44 SER N N 44 116.453 118.017 -1.564 1
1 421 . 8 1 1 A 44 44 SER H H 44 8.540 8.674 -0.134 1
1 1 . 9 1 1 A 8 8 SER CA C 8 58.454 62.086 -3.632 1
1 2 . 9 1 1 A 8 8 SER HA H 8 4.440 4.236 0.204 1
1 3 . 9 1 1 A 8 8 SER CB C 8 63.904 63.091 0.813 1
1 5 . 9 1 1 A 8 8 SER C C 8 175.126 174.890 0.236 1
1 7 . 9 1 1 A 9 9 GLY N N 9 110.864 108.184 2.680 1
1 8 . 9 1 1 A 9 9 GLY H H 9 8.493 7.460 1.033 1
1 9 . 9 1 1 A 9 9 GLY CA C 9 45.376 46.021 -0.645 1
1 10 . 9 1 1 A 9 9 GLY C C 9 174.128 173.952 0.176 1
1 11 . 9 1 1 A 9 9 GLY HA2 H 9 3.960 4.083 -0.123 1
1 12 . 9 1 1 A 10 10 GLU N N 10 120.050 122.310 -2.260 1
1 13 . 9 1 1 A 10 10 GLU H H 10 8.255 7.996 0.259 1
1 14 . 9 1 1 A 10 10 GLU CA C 10 56.893 56.559 0.334 1
1 15 . 9 1 1 A 10 10 GLU HA H 10 4.236 4.257 -0.021 1
1 16 . 9 1 1 A 10 10 GLU CB C 10 30.417 30.005 0.412 1
1 20 . 9 1 1 A 10 10 GLU C C 10 176.477 175.978 0.499 1
1 23 . 9 1 1 A 11 11 ARG N N 11 121.287 123.754 -2.467 1
1 24 . 9 1 1 A 11 11 ARG H H 11 8.311 8.373 -0.062 1
1 25 . 9 1 1 A 11 11 ARG CA C 11 53.586 53.231 0.355 1
1 26 . 9 1 1 A 11 11 ARG HA H 11 4.588 4.772 -0.184 1
1 27 . 9 1 1 A 11 11 ARG CB C 11 30.618 30.282 0.336 1
1 33 . 9 1 1 A 11 11 ARG C C 11 173.631 175.818 -2.187 1
1 37 . 9 1 1 A 12 12 PRO CA C 12 63.542 64.317 -0.775 1
1 38 . 9 1 1 A 12 12 PRO HA H 12 4.349 4.434 -0.085 1
1 39 . 9 1 1 A 12 12 PRO CB C 12 32.216 31.462 0.754 1
1 45 . 9 1 1 A 12 12 PRO C C 12 176.387 175.877 0.510 1
1 49 . 9 1 1 A 13 13 TYR N N 13 119.060 117.754 1.306 1
1 50 . 9 1 1 A 13 13 TYR H H 13 8.102 7.755 0.347 1
1 51 . 9 1 1 A 13 13 TYR CA C 13 56.965 55.783 1.182 1
1 52 . 9 1 1 A 13 13 TYR HA H 13 4.754 4.922 -0.168 1
1 53 . 9 1 1 A 13 13 TYR CB C 13 38.432 37.575 0.857 1
1 63 . 9 1 1 A 13 13 TYR C C 13 175.135 174.644 0.491 1
1 65 . 9 1 1 A 14 14 GLY N N 14 111.562 110.861 0.701 1
1 66 . 9 1 1 A 14 14 GLY H H 14 8.513 8.959 -0.446 1
1 67 . 9 1 1 A 14 14 GLY CA C 14 45.058 45.594 -0.536 1
1 68 . 9 1 1 A 14 14 GLY HA3 H 14 4.932 4.125 0.807 1
1 69 . 9 1 1 A 14 14 GLY C C 14 172.508 173.939 -1.431 1
1 70 . 9 1 1 A 14 14 GLY HA2 H 14 3.638 4.053 -0.415 1
1 71 . 9 1 1 A 15 15 CYS N N 15 124.194 125.158 -0.964 1
1 72 . 9 1 1 A 15 15 CYS H H 15 9.008 8.742 0.266 1
1 73 . 9 1 1 A 15 15 CYS CA C 15 58.959 59.657 -0.698 1
1 74 . 9 1 1 A 15 15 CYS HA H 15 4.695 4.436 0.259 1
1 75 . 9 1 1 A 15 15 CYS CB C 15 30.119 29.007 1.112 1
1 77 . 9 1 1 A 15 15 CYS C C 15 177.447 174.660 2.787 1
1 79 . 9 1 1 A 16 16 ASN N N 16 129.997 123.660 6.337 1
1 80 . 9 1 1 A 16 16 ASN H H 16 9.480 9.106 0.374 1
1 81 . 9 1 1 A 16 16 ASN CA C 16 55.267 54.723 0.544 1
1 82 . 9 1 1 A 16 16 ASN HA H 16 4.625 4.855 -0.230 1
1 83 . 9 1 1 A 16 16 ASN CB C 16 38.516 40.208 -1.692 1
1 88 . 9 1 1 A 16 16 ASN C C 16 175.463 176.667 -1.204 1
1 90 . 9 1 1 A 17 17 GLU N N 17 121.690 118.456 3.234 1
1 91 . 9 1 1 A 17 17 GLU H H 17 9.024 8.226 0.798 1
1 92 . 9 1 1 A 17 17 GLU CA C 17 58.253 59.300 -1.047 1
1 93 . 9 1 1 A 17 17 GLU HA H 17 4.239 3.976 0.263 1
1 94 . 9 1 1 A 17 17 GLU CB C 17 29.490 29.246 0.244 1
1 98 . 9 1 1 A 17 17 GLU C C 17 177.355 177.732 -0.377 1
1 101 . 9 1 1 A 18 18 CYS N N 18 115.999 115.046 0.953 1
1 102 . 9 1 1 A 18 18 CYS H H 18 8.351 7.453 0.898 1
1 103 . 9 1 1 A 18 18 CYS CA C 18 58.536 59.358 -0.822 1
1 104 . 9 1 1 A 18 18 CYS HA H 18 5.170 4.668 0.502 1
1 105 . 9 1 1 A 18 18 CYS CB C 18 32.295 30.197 2.098 1
1 107 . 9 1 1 A 18 18 CYS C C 18 176.224 175.568 0.656 1
1 109 . 9 1 1 A 19 19 GLY N N 19 112.718 110.082 2.636 1
1 110 . 9 1 1 A 19 19 GLY H H 19 8.032 8.616 -0.584 1
1 111 . 9 1 1 A 19 19 GLY CA C 19 46.253 46.265 -0.012 1
1 112 . 9 1 1 A 19 19 GLY HA3 H 19 4.228 3.976 0.252 1
1 113 . 9 1 1 A 19 19 GLY C C 19 174.201 173.879 0.322 1
1 114 . 9 1 1 A 19 19 GLY HA2 H 19 3.901 3.973 -0.072 1
1 115 . 9 1 1 A 20 20 LYS N N 20 122.353 119.560 2.793 1
1 116 . 9 1 1 A 20 20 LYS H H 20 7.856 7.595 0.261 1
1 117 . 9 1 1 A 20 20 LYS CA C 20 57.657 54.552 3.105 1
1 118 . 9 1 1 A 20 20 LYS HA H 20 4.043 4.662 -0.619 1
1 119 . 9 1 1 A 20 20 LYS CB C 20 34.015 35.208 -1.193 1
1 127 . 9 1 1 A 20 20 LYS C C 20 173.954 174.273 -0.319 1
1 132 . 9 1 1 A 21 21 ASN N N 21 117.851 122.345 -4.494 1
1 133 . 9 1 1 A 21 21 ASN H H 21 7.905 8.567 -0.662 1
1 134 . 9 1 1 A 21 21 ASN CA C 21 51.903 51.056 0.847 1
1 135 . 9 1 1 A 21 21 ASN HA H 21 5.337 5.705 -0.368 1
1 136 . 9 1 1 A 21 21 ASN CB C 21 41.671 40.908 0.763 1
1 141 . 9 1 1 A 21 21 ASN C C 21 174.118 173.412 0.706 1
1 143 . 9 1 1 A 22 22 PHE N N 22 117.132 118.227 -1.095 1
1 144 . 9 1 1 A 22 22 PHE H H 22 8.604 8.439 0.165 1
1 145 . 9 1 1 A 22 22 PHE CA C 22 57.519 56.493 1.026 1
1 146 . 9 1 1 A 22 22 PHE HA H 22 4.753 4.943 -0.190 1
1 147 . 9 1 1 A 22 22 PHE CB C 22 43.604 43.511 0.093 1
1 159 . 9 1 1 A 22 22 PHE C C 22 175.478 175.781 -0.303 1
1 161 . 9 1 1 A 23 23 GLY CA C 23 45.805 45.609 0.196 1
1 162 . 9 1 1 A 23 23 GLY HA3 H 23 4.493 4.152 0.341 1
1 163 . 9 1 1 A 23 23 GLY HA2 H 23 4.065 4.097 -0.032 1
1 164 . 9 1 1 A 24 24 ARG N N 24 115.504 117.242 -1.738 1
1 165 . 9 1 1 A 24 24 ARG H H 24 7.280 7.776 -0.496 1
1 166 . 9 1 1 A 24 24 ARG CA C 24 53.903 54.460 -0.557 1
1 167 . 9 1 1 A 24 24 ARG HA H 24 4.647 4.732 -0.085 1
1 168 . 9 1 1 A 24 24 ARG CB C 24 33.063 33.190 -0.127 1
1 177 . 9 1 1 A 25 25 HIS N N 25 112.630 120.097 -7.467 1
1 178 . 9 1 1 A 25 25 HIS H H 25 8.702 8.682 0.020 1
1 179 . 9 1 1 A 25 25 HIS CA C 25 60.282 57.704 2.578 1
1 180 . 9 1 1 A 25 25 HIS HA H 25 3.275 2.896 0.379 1
1 181 . 9 1 1 A 25 25 HIS CB C 25 30.569 30.183 0.386 1
1 188 . 9 1 1 A 26 26 SER CA C 26 61.201 61.808 -0.607 1
1 189 . 9 1 1 A 26 26 SER HA H 26 3.832 4.019 -0.187 1
1 190 . 9 1 1 A 26 26 SER CB C 26 61.402 63.669 -2.267 1
1 192 . 9 1 1 A 26 26 SER C C 26 176.998 175.347 1.651 1
1 194 . 9 1 1 A 27 27 HIS N N 27 120.791 121.703 -0.912 1
1 195 . 9 1 1 A 27 27 HIS H H 27 6.716 8.111 -1.395 1
1 196 . 9 1 1 A 27 27 HIS CA C 27 56.885 59.882 -2.997 1
1 197 . 9 1 1 A 27 27 HIS HA H 27 4.438 3.854 0.584 1
1 198 . 9 1 1 A 27 27 HIS CB C 27 31.710 29.501 2.209 1
1 204 . 9 1 1 A 27 27 HIS C C 27 178.259 176.029 2.230 1
1 206 . 9 1 1 A 28 28 LEU N N 28 121.891 119.613 2.278 1
1 207 . 9 1 1 A 28 28 LEU H H 28 7.048 7.262 -0.214 1
1 208 . 9 1 1 A 28 28 LEU CA C 28 57.858 57.906 -0.048 1
1 209 . 9 1 1 A 28 28 LEU HA H 28 3.316 3.544 -0.228 1
1 210 . 9 1 1 A 28 28 LEU CB C 28 40.235 41.636 -1.401 1
1 222 . 9 1 1 A 28 28 LEU C C 28 177.276 178.481 -1.205 1
1 224 . 9 1 1 A 29 29 ILE N N 29 118.247 119.168 -0.921 1
1 225 . 9 1 1 A 29 29 ILE H H 29 7.890 7.885 0.005 1
1 226 . 9 1 1 A 29 29 ILE CA C 29 63.737 65.409 -1.672 1
1 227 . 9 1 1 A 29 29 ILE HA H 29 3.547 3.403 0.144 1
1 228 . 9 1 1 A 29 29 ILE CB C 29 36.186 37.467 -1.281 1
1 240 . 9 1 1 A 29 29 ILE C C 29 178.830 177.698 1.132 1
1 242 . 9 1 1 A 30 30 GLU N N 30 117.991 119.521 -1.530 1
1 243 . 9 1 1 A 30 30 GLU H H 30 7.499 7.944 -0.445 1
1 244 . 9 1 1 A 30 30 GLU CA C 30 59.104 59.370 -0.266 1
1 245 . 9 1 1 A 30 30 GLU HA H 30 3.959 3.892 0.067 1
1 246 . 9 1 1 A 30 30 GLU CB C 30 29.435 29.199 0.236 1
1 250 . 9 1 1 A 30 30 GLU C C 30 178.622 179.002 -0.380 1
1 253 . 9 1 1 A 31 31 HIS N N 31 119.737 120.463 -0.726 1
1 254 . 9 1 1 A 31 31 HIS H H 31 7.541 7.755 -0.214 1
1 255 . 9 1 1 A 31 31 HIS CA C 31 59.599 58.757 0.842 1
1 256 . 9 1 1 A 31 31 HIS HA H 31 4.113 4.108 0.005 1
1 257 . 9 1 1 A 31 31 HIS CB C 31 28.503 29.448 -0.945 1
1 263 . 9 1 1 A 31 31 HIS C C 31 177.036 176.546 0.490 1
1 265 . 9 1 1 A 32 32 LEU N N 32 118.963 119.078 -0.115 1
1 266 . 9 1 1 A 32 32 LEU H H 32 8.669 8.293 0.376 1
1 267 . 9 1 1 A 32 32 LEU CA C 32 58.231 57.025 1.206 1
1 268 . 9 1 1 A 32 32 LEU HA H 32 3.868 3.557 0.311 1
1 269 . 9 1 1 A 32 32 LEU CB C 32 41.914 41.571 0.343 1
1 281 . 9 1 1 A 32 32 LEU C C 32 179.605 178.824 0.781 1
1 283 . 9 1 1 A 33 33 LYS N N 33 117.980 120.373 -2.393 1
1 284 . 9 1 1 A 33 33 LYS H H 33 7.426 7.772 -0.346 1
1 285 . 9 1 1 A 33 33 LYS CA C 33 59.259 59.898 -0.639 1
1 286 . 9 1 1 A 33 33 LYS HA H 33 3.964 3.984 -0.020 1
1 287 . 9 1 1 A 33 33 LYS CB C 33 32.436 31.986 0.450 1
1 295 . 9 1 1 A 33 33 LYS C C 33 178.878 179.112 -0.234 1
1 300 . 9 1 1 A 34 34 ARG N N 34 117.379 117.849 -0.470 1
1 301 . 9 1 1 A 34 34 ARG H H 34 7.659 7.859 -0.200 1
1 302 . 9 1 1 A 34 34 ARG CA C 34 57.923 58.702 -0.779 1
1 303 . 9 1 1 A 34 34 ARG HA H 34 4.030 4.060 -0.030 1
1 304 . 9 1 1 A 34 34 ARG CB C 34 29.157 29.934 -0.777 1
1 310 . 9 1 1 A 34 34 ARG C C 34 178.055 179.067 -1.012 1
1 314 . 9 1 1 A 35 35 HIS N N 35 115.913 119.100 -3.187 1
1 315 . 9 1 1 A 35 35 HIS H H 35 7.257 7.833 -0.576 1
1 316 . 9 1 1 A 35 35 HIS CA C 35 56.578 58.789 -2.211 1
1 317 . 9 1 1 A 35 35 HIS HA H 35 4.629 4.265 0.364 1
1 318 . 9 1 1 A 35 35 HIS CB C 35 28.654 29.663 -1.009 1
1 324 . 9 1 1 A 35 35 HIS C C 35 175.953 177.873 -1.920 1
1 326 . 9 1 1 A 36 36 PHE N N 36 119.384 119.603 -0.219 1
1 327 . 9 1 1 A 36 36 PHE H H 36 7.760 8.312 -0.552 1
1 328 . 9 1 1 A 36 36 PHE CA C 36 58.890 61.439 -2.549 1
1 329 . 9 1 1 A 36 36 PHE HA H 36 4.543 4.011 0.532 1
1 330 . 9 1 1 A 36 36 PHE CB C 36 39.026 39.200 -0.174 1
1 342 . 9 1 1 A 36 36 PHE C C 36 176.549 177.211 -0.662 1
1 344 . 9 1 1 A 37 37 ARG N N 37 121.608 119.269 2.339 1
1 345 . 9 1 1 A 37 37 ARG H H 37 8.099 7.823 0.276 1
1 346 . 9 1 1 A 37 37 ARG CA C 37 56.871 59.504 -2.633 1
1 347 . 9 1 1 A 37 37 ARG HA H 37 4.231 3.827 0.404 1
1 348 . 9 1 1 A 37 37 ARG CB C 37 30.858 29.718 1.140 1
1 354 . 9 1 1 A 37 37 ARG C C 37 176.808 177.495 -0.687 1
1 358 . 9 1 1 A 38 38 GLU N N 38 120.749 119.513 1.236 1
1 359 . 9 1 1 A 38 38 GLU H H 38 8.205 8.313 -0.108 1
1 360 . 9 1 1 A 38 38 GLU CA C 38 57.166 57.286 -0.120 1
1 361 . 9 1 1 A 38 38 GLU HA H 38 4.194 4.115 0.079 1
1 362 . 9 1 1 A 38 38 GLU CB C 38 30.047 29.976 0.071 1
1 366 . 9 1 1 A 38 38 GLU C C 38 176.985 176.613 0.372 1
1 369 . 9 1 1 A 39 39 LYS N N 39 121.011 122.720 -1.709 1
1 370 . 9 1 1 A 39 39 LYS H H 39 8.130 8.501 -0.371 1
1 371 . 9 1 1 A 39 39 LYS CA C 39 56.734 55.260 1.474 1
1 372 . 9 1 1 A 39 39 LYS HA H 39 4.315 4.688 -0.373 1
1 373 . 9 1 1 A 39 39 LYS CB C 39 32.934 32.303 0.631 1
1 381 . 9 1 1 A 39 39 LYS C C 39 176.838 177.486 -0.648 1
1 386 . 9 1 1 A 40 40 SER N N 40 116.295 116.592 -0.297 1
1 387 . 9 1 1 A 40 40 SER H H 40 8.203 7.977 0.226 1
1 388 . 9 1 1 A 40 40 SER CA C 40 58.413 61.735 -3.322 1
1 389 . 9 1 1 A 40 40 SER HA H 40 4.474 4.053 0.421 1
1 390 . 9 1 1 A 40 40 SER CB C 40 63.797 63.190 0.607 1
1 392 . 9 1 1 A 40 40 SER C C 40 174.559 177.203 -2.644 1
1 394 . 9 1 1 A 41 41 SER N N 41 117.522 114.758 2.764 1
1 395 . 9 1 1 A 41 41 SER H H 41 8.267 7.927 0.340 1
1 396 . 9 1 1 A 41 41 SER CA C 41 58.400 59.738 -1.338 1
1 397 . 9 1 1 A 41 41 SER HA H 41 4.488 4.460 0.028 1
1 398 . 9 1 1 A 41 41 SER CB C 41 64.016 64.371 -0.355 1
1 400 . 9 1 1 A 41 41 SER C C 41 174.474 174.577 -0.103 1
1 402 . 9 1 1 A 42 42 GLY N N 42 110.551 106.927 3.624 1
1 403 . 9 1 1 A 42 42 GLY H H 42 8.215 7.367 0.848 1
1 404 . 9 1 1 A 42 42 GLY CA C 42 44.645 44.105 0.540 1
1 405 . 9 1 1 A 42 42 GLY HA3 H 42 4.143 4.072 0.071 1
1 406 . 9 1 1 A 42 42 GLY C C 42 171.741 173.976 -2.235 1
1 407 . 9 1 1 A 42 42 GLY HA2 H 42 4.143 4.063 0.080 1
1 408 . 9 1 1 A 43 43 PRO CA C 43 63.271 64.897 -1.626 1
1 409 . 9 1 1 A 43 43 PRO HA H 43 4.488 4.335 0.153 1
1 410 . 9 1 1 A 43 43 PRO CB C 43 32.184 31.828 0.356 1
1 416 . 9 1 1 A 43 43 PRO C C 43 177.380 177.250 0.130 1
1 420 . 9 1 1 A 44 44 SER N N 44 116.453 113.249 3.204 1
1 421 . 9 1 1 A 44 44 SER H H 44 8.540 8.020 0.520 1
1 1 . 10 1 1 A 8 8 SER CA C 8 58.454 60.498 -2.044 1
1 2 . 10 1 1 A 8 8 SER HA H 8 4.440 4.136 0.304 1
1 3 . 10 1 1 A 8 8 SER CB C 8 63.904 63.014 0.890 1
1 5 . 10 1 1 A 8 8 SER C C 8 175.126 175.698 -0.572 1
1 7 . 10 1 1 A 9 9 GLY N N 9 110.864 112.851 -1.987 1
1 8 . 10 1 1 A 9 9 GLY H H 9 8.493 8.814 -0.321 1
1 9 . 10 1 1 A 9 9 GLY CA C 9 45.376 46.573 -1.197 1
1 10 . 10 1 1 A 9 9 GLY C C 9 174.128 173.390 0.738 1
1 11 . 10 1 1 A 9 9 GLY HA2 H 9 3.960 3.860 0.100 1
1 12 . 10 1 1 A 10 10 GLU N N 10 120.050 118.518 1.532 1
1 13 . 10 1 1 A 10 10 GLU H H 10 8.255 7.781 0.474 1
1 14 . 10 1 1 A 10 10 GLU CA C 10 56.893 55.429 1.464 1
1 15 . 10 1 1 A 10 10 GLU HA H 10 4.236 4.617 -0.381 1
1 16 . 10 1 1 A 10 10 GLU CB C 10 30.417 33.095 -2.678 1
1 20 . 10 1 1 A 10 10 GLU C C 10 176.477 174.756 1.721 1
1 23 . 10 1 1 A 11 11 ARG N N 11 121.287 127.116 -5.829 1
1 24 . 10 1 1 A 11 11 ARG H H 11 8.311 8.619 -0.308 1
1 25 . 10 1 1 A 11 11 ARG CA C 11 53.586 54.657 -1.071 1
1 26 . 10 1 1 A 11 11 ARG HA H 11 4.588 4.289 0.299 1
1 27 . 10 1 1 A 11 11 ARG CB C 11 30.618 29.807 0.811 1
1 33 . 10 1 1 A 11 11 ARG C C 11 173.631 176.388 -2.757 1
1 37 . 10 1 1 A 12 12 PRO CA C 12 63.542 64.581 -1.039 1
1 38 . 10 1 1 A 12 12 PRO HA H 12 4.349 4.363 -0.014 1
1 39 . 10 1 1 A 12 12 PRO CB C 12 32.216 31.689 0.527 1
1 45 . 10 1 1 A 12 12 PRO C C 12 176.387 176.523 -0.136 1
1 49 . 10 1 1 A 13 13 TYR N N 13 119.060 117.113 1.947 1
1 50 . 10 1 1 A 13 13 TYR H H 13 8.102 7.738 0.364 1
1 51 . 10 1 1 A 13 13 TYR CA C 13 56.965 56.584 0.381 1
1 52 . 10 1 1 A 13 13 TYR HA H 13 4.754 4.859 -0.105 1
1 53 . 10 1 1 A 13 13 TYR CB C 13 38.432 36.606 1.826 1
1 63 . 10 1 1 A 13 13 TYR C C 13 175.135 175.955 -0.820 1
1 65 . 10 1 1 A 14 14 GLY N N 14 111.562 108.535 3.027 1
1 66 . 10 1 1 A 14 14 GLY H H 14 8.513 8.023 0.490 1
1 67 . 10 1 1 A 14 14 GLY CA C 14 45.058 45.599 -0.541 1
1 68 . 10 1 1 A 14 14 GLY HA3 H 14 4.932 3.986 0.946 1
1 69 . 10 1 1 A 14 14 GLY C C 14 172.508 172.268 0.240 1
1 70 . 10 1 1 A 14 14 GLY HA2 H 14 3.638 3.985 -0.347 1
1 71 . 10 1 1 A 15 15 CYS N N 15 124.194 123.761 0.433 1
1 72 . 10 1 1 A 15 15 CYS H H 15 9.008 8.619 0.389 1
1 73 . 10 1 1 A 15 15 CYS CA C 15 58.959 58.718 0.241 1
1 74 . 10 1 1 A 15 15 CYS HA H 15 4.695 4.696 -0.001 1
1 75 . 10 1 1 A 15 15 CYS CB C 15 30.119 29.288 0.831 1
1 77 . 10 1 1 A 15 15 CYS C C 15 177.447 174.451 2.996 1
1 79 . 10 1 1 A 16 16 ASN N N 16 129.997 124.436 5.561 1
1 80 . 10 1 1 A 16 16 ASN H H 16 9.480 8.919 0.561 1
1 81 . 10 1 1 A 16 16 ASN CA C 16 55.267 54.144 1.123 1
1 82 . 10 1 1 A 16 16 ASN HA H 16 4.625 4.863 -0.238 1
1 83 . 10 1 1 A 16 16 ASN CB C 16 38.516 39.449 -0.933 1
1 88 . 10 1 1 A 16 16 ASN C C 16 175.463 177.055 -1.592 1
1 90 . 10 1 1 A 17 17 GLU N N 17 121.690 119.713 1.977 1
1 91 . 10 1 1 A 17 17 GLU H H 17 9.024 8.195 0.829 1
1 92 . 10 1 1 A 17 17 GLU CA C 17 58.253 59.412 -1.159 1
1 93 . 10 1 1 A 17 17 GLU HA H 17 4.239 3.973 0.266 1
1 94 . 10 1 1 A 17 17 GLU CB C 17 29.490 29.147 0.343 1
1 98 . 10 1 1 A 17 17 GLU C C 17 177.355 178.100 -0.745 1
1 101 . 10 1 1 A 18 18 CYS N N 18 115.999 114.474 1.525 1
1 102 . 10 1 1 A 18 18 CYS H H 18 8.351 7.391 0.960 1
1 103 . 10 1 1 A 18 18 CYS CA C 18 58.536 59.264 -0.728 1
1 104 . 10 1 1 A 18 18 CYS HA H 18 5.170 4.645 0.525 1
1 105 . 10 1 1 A 18 18 CYS CB C 18 32.295 30.383 1.912 1
1 107 . 10 1 1 A 18 18 CYS C C 18 176.224 175.631 0.593 1
1 109 . 10 1 1 A 19 19 GLY N N 19 112.718 110.126 2.592 1
1 110 . 10 1 1 A 19 19 GLY H H 19 8.032 8.453 -0.421 1
1 111 . 10 1 1 A 19 19 GLY CA C 19 46.253 45.395 0.858 1
1 112 . 10 1 1 A 19 19 GLY HA3 H 19 4.228 4.042 0.186 1
1 113 . 10 1 1 A 19 19 GLY C C 19 174.201 174.173 0.028 1
1 114 . 10 1 1 A 19 19 GLY HA2 H 19 3.901 4.035 -0.134 1
1 115 . 10 1 1 A 20 20 LYS N N 20 122.353 119.471 2.882 1
1 116 . 10 1 1 A 20 20 LYS H H 20 7.856 7.885 -0.029 1
1 117 . 10 1 1 A 20 20 LYS CA C 20 57.657 54.660 2.997 1
1 118 . 10 1 1 A 20 20 LYS HA H 20 4.043 4.308 -0.265 1
1 119 . 10 1 1 A 20 20 LYS CB C 20 34.015 34.276 -0.261 1
1 127 . 10 1 1 A 20 20 LYS C C 20 173.954 175.643 -1.689 1
1 132 . 10 1 1 A 21 21 ASN N N 21 117.851 122.390 -4.539 1
1 133 . 10 1 1 A 21 21 ASN H H 21 7.905 8.310 -0.405 1
1 134 . 10 1 1 A 21 21 ASN CA C 21 51.903 52.149 -0.246 1
1 135 . 10 1 1 A 21 21 ASN HA H 21 5.337 5.351 -0.014 1
1 136 . 10 1 1 A 21 21 ASN CB C 21 41.671 40.312 1.359 1
1 141 . 10 1 1 A 21 21 ASN C C 21 174.118 173.950 0.168 1
1 143 . 10 1 1 A 22 22 PHE N N 22 117.132 118.318 -1.186 1
1 144 . 10 1 1 A 22 22 PHE H H 22 8.604 8.736 -0.132 1
1 145 . 10 1 1 A 22 22 PHE CA C 22 57.519 57.061 0.458 1
1 146 . 10 1 1 A 22 22 PHE HA H 22 4.753 4.905 -0.152 1
1 147 . 10 1 1 A 22 22 PHE CB C 22 43.604 43.045 0.559 1
1 159 . 10 1 1 A 22 22 PHE C C 22 175.478 175.706 -0.228 1
1 161 . 10 1 1 A 23 23 GLY CA C 23 45.805 45.545 0.260 1
1 162 . 10 1 1 A 23 23 GLY HA3 H 23 4.493 4.145 0.348 1
1 163 . 10 1 1 A 23 23 GLY HA2 H 23 4.065 4.076 -0.011 1
1 164 . 10 1 1 A 24 24 ARG N N 24 115.504 118.242 -2.738 1
1 165 . 10 1 1 A 24 24 ARG H H 24 7.280 7.680 -0.400 1
1 166 . 10 1 1 A 24 24 ARG CA C 24 53.903 54.089 -0.186 1
1 167 . 10 1 1 A 24 24 ARG HA H 24 4.647 4.792 -0.145 1
1 168 . 10 1 1 A 24 24 ARG CB C 24 33.063 33.317 -0.254 1
1 177 . 10 1 1 A 25 25 HIS N N 25 112.630 124.217 -11.587 1
1 178 . 10 1 1 A 25 25 HIS H H 25 8.702 8.905 -0.203 1
1 179 . 10 1 1 A 25 25 HIS CA C 25 60.282 60.239 0.043 1
1 180 . 10 1 1 A 25 25 HIS HA H 25 3.275 2.969 0.306 1
1 181 . 10 1 1 A 25 25 HIS CB C 25 30.569 30.342 0.227 1
1 188 . 10 1 1 A 26 26 SER CA C 26 61.201 62.458 -1.257 1
1 189 . 10 1 1 A 26 26 SER HA H 26 3.832 3.781 0.051 1
1 190 . 10 1 1 A 26 26 SER CB C 26 61.402 62.864 -1.462 1
1 192 . 10 1 1 A 26 26 SER C C 26 176.998 176.581 0.417 1
1 194 . 10 1 1 A 27 27 HIS N N 27 120.791 119.272 1.519 1
1 195 . 10 1 1 A 27 27 HIS H H 27 6.716 8.054 -1.338 1
1 196 . 10 1 1 A 27 27 HIS CA C 27 56.885 58.587 -1.702 1
1 197 . 10 1 1 A 27 27 HIS HA H 27 4.438 4.111 0.327 1
1 198 . 10 1 1 A 27 27 HIS CB C 27 31.710 29.668 2.042 1
1 204 . 10 1 1 A 27 27 HIS C C 27 178.259 177.186 1.073 1
1 206 . 10 1 1 A 28 28 LEU N N 28 121.891 120.065 1.826 1
1 207 . 10 1 1 A 28 28 LEU H H 28 7.048 7.490 -0.442 1
1 208 . 10 1 1 A 28 28 LEU CA C 28 57.858 57.901 -0.043 1
1 209 . 10 1 1 A 28 28 LEU HA H 28 3.316 3.459 -0.143 1
1 210 . 10 1 1 A 28 28 LEU CB C 28 40.235 41.695 -1.460 1
1 222 . 10 1 1 A 28 28 LEU C C 28 177.276 178.205 -0.929 1
1 224 . 10 1 1 A 29 29 ILE N N 29 118.247 119.875 -1.628 1
1 225 . 10 1 1 A 29 29 ILE H H 29 7.890 7.706 0.184 1
1 226 . 10 1 1 A 29 29 ILE CA C 29 63.737 65.276 -1.539 1
1 227 . 10 1 1 A 29 29 ILE HA H 29 3.547 3.514 0.033 1
1 228 . 10 1 1 A 29 29 ILE CB C 29 36.186 37.600 -1.414 1
1 240 . 10 1 1 A 29 29 ILE C C 29 178.830 177.494 1.336 1
1 242 . 10 1 1 A 30 30 GLU N N 30 117.991 119.352 -1.361 1
1 243 . 10 1 1 A 30 30 GLU H H 30 7.499 7.978 -0.479 1
1 244 . 10 1 1 A 30 30 GLU CA C 30 59.104 59.508 -0.404 1
1 245 . 10 1 1 A 30 30 GLU HA H 30 3.959 3.896 0.063 1
1 246 . 10 1 1 A 30 30 GLU CB C 30 29.435 29.347 0.088 1
1 250 . 10 1 1 A 30 30 GLU C C 30 178.622 178.989 -0.367 1
1 253 . 10 1 1 A 31 31 HIS N N 31 119.737 120.131 -0.394 1
1 254 . 10 1 1 A 31 31 HIS H H 31 7.541 7.504 0.037 1
1 255 . 10 1 1 A 31 31 HIS CA C 31 59.599 59.686 -0.087 1
1 256 . 10 1 1 A 31 31 HIS HA H 31 4.113 4.003 0.110 1
1 257 . 10 1 1 A 31 31 HIS CB C 31 28.503 29.633 -1.130 1
1 263 . 10 1 1 A 31 31 HIS C C 31 177.036 176.708 0.328 1
1 265 . 10 1 1 A 32 32 LEU N N 32 118.963 118.736 0.227 1
1 266 . 10 1 1 A 32 32 LEU H H 32 8.669 8.710 -0.041 1
1 267 . 10 1 1 A 32 32 LEU CA C 32 58.231 57.429 0.802 1
1 268 . 10 1 1 A 32 32 LEU HA H 32 3.868 3.736 0.132 1
1 269 . 10 1 1 A 32 32 LEU CB C 32 41.914 41.591 0.323 1
1 281 . 10 1 1 A 32 32 LEU C C 32 179.605 179.605 0.000 1
1 283 . 10 1 1 A 33 33 LYS N N 33 117.980 119.623 -1.643 1
1 284 . 10 1 1 A 33 33 LYS H H 33 7.426 8.046 -0.620 1
1 285 . 10 1 1 A 33 33 LYS CA C 33 59.259 60.163 -0.904 1
1 286 . 10 1 1 A 33 33 LYS HA H 33 3.964 4.019 -0.055 1
1 287 . 10 1 1 A 33 33 LYS CB C 33 32.436 32.297 0.139 1
1 295 . 10 1 1 A 33 33 LYS C C 33 178.878 178.993 -0.115 1
1 300 . 10 1 1 A 34 34 ARG N N 34 117.379 117.802 -0.423 1
1 301 . 10 1 1 A 34 34 ARG H H 34 7.659 7.668 -0.009 1
1 302 . 10 1 1 A 34 34 ARG CA C 34 57.923 58.540 -0.617 1
1 303 . 10 1 1 A 34 34 ARG HA H 34 4.030 4.047 -0.017 1
1 304 . 10 1 1 A 34 34 ARG CB C 34 29.157 29.543 -0.386 1
1 310 . 10 1 1 A 34 34 ARG C C 34 178.055 178.264 -0.209 1
1 314 . 10 1 1 A 35 35 HIS N N 35 115.913 118.609 -2.696 1
1 315 . 10 1 1 A 35 35 HIS H H 35 7.257 7.299 -0.042 1
1 316 . 10 1 1 A 35 35 HIS CA C 35 56.578 59.307 -2.729 1
1 317 . 10 1 1 A 35 35 HIS HA H 35 4.629 4.295 0.334 1
1 318 . 10 1 1 A 35 35 HIS CB C 35 28.654 29.747 -1.093 1
1 324 . 10 1 1 A 35 35 HIS C C 35 175.953 177.816 -1.863 1
1 326 . 10 1 1 A 36 36 PHE N N 36 119.384 116.572 2.812 1
1 327 . 10 1 1 A 36 36 PHE H H 36 7.760 8.052 -0.292 1
1 328 . 10 1 1 A 36 36 PHE CA C 36 58.890 61.344 -2.454 1
1 329 . 10 1 1 A 36 36 PHE HA H 36 4.543 4.196 0.347 1
1 330 . 10 1 1 A 36 36 PHE CB C 36 39.026 38.672 0.354 1
1 342 . 10 1 1 A 36 36 PHE C C 36 176.549 176.557 -0.008 1
1 344 . 10 1 1 A 37 37 ARG N N 37 121.608 118.730 2.878 1
1 345 . 10 1 1 A 37 37 ARG H H 37 8.099 8.217 -0.118 1
1 346 . 10 1 1 A 37 37 ARG CA C 37 56.871 57.056 -0.185 1
1 347 . 10 1 1 A 37 37 ARG HA H 37 4.231 4.256 -0.025 1
1 348 . 10 1 1 A 37 37 ARG CB C 37 30.858 30.721 0.137 1
1 354 . 10 1 1 A 37 37 ARG C C 37 176.808 175.949 0.859 1
1 358 . 10 1 1 A 38 38 GLU N N 38 120.749 122.892 -2.143 1
1 359 . 10 1 1 A 38 38 GLU H H 38 8.205 8.370 -0.165 1
1 360 . 10 1 1 A 38 38 GLU CA C 38 57.166 55.344 1.822 1
1 361 . 10 1 1 A 38 38 GLU HA H 38 4.194 4.876 -0.682 1
1 362 . 10 1 1 A 38 38 GLU CB C 38 30.047 31.591 -1.544 1
1 366 . 10 1 1 A 38 38 GLU C C 38 176.985 175.565 1.420 1
1 369 . 10 1 1 A 39 39 LYS N N 39 121.011 121.102 -0.091 1
1 370 . 10 1 1 A 39 39 LYS H H 39 8.130 8.329 -0.199 1
1 371 . 10 1 1 A 39 39 LYS CA C 39 56.734 56.529 0.205 1
1 372 . 10 1 1 A 39 39 LYS HA H 39 4.315 4.222 0.093 1
1 373 . 10 1 1 A 39 39 LYS CB C 39 32.934 32.911 0.023 1
1 381 . 10 1 1 A 39 39 LYS C C 39 176.838 176.429 0.409 1
1 386 . 10 1 1 A 40 40 SER N N 40 116.295 118.235 -1.940 1
1 387 . 10 1 1 A 40 40 SER H H 40 8.203 8.791 -0.588 1
1 388 . 10 1 1 A 40 40 SER CA C 40 58.413 57.542 0.871 1
1 389 . 10 1 1 A 40 40 SER HA H 40 4.474 4.960 -0.486 1
1 390 . 10 1 1 A 40 40 SER CB C 40 63.797 66.138 -2.341 1
1 392 . 10 1 1 A 40 40 SER C C 40 174.559 172.973 1.586 1
1 394 . 10 1 1 A 41 41 SER N N 41 117.522 121.501 -3.979 1
1 395 . 10 1 1 A 41 41 SER H H 41 8.267 8.818 -0.551 1
1 396 . 10 1 1 A 41 41 SER CA C 41 58.400 57.558 0.842 1
1 397 . 10 1 1 A 41 41 SER HA H 41 4.488 4.535 -0.047 1
1 398 . 10 1 1 A 41 41 SER CB C 41 64.016 62.084 1.932 1
1 400 . 10 1 1 A 41 41 SER C C 41 174.474 173.428 1.046 1
1 402 . 10 1 1 A 42 42 GLY N N 42 110.551 113.986 -3.435 1
1 403 . 10 1 1 A 42 42 GLY H H 42 8.215 8.272 -0.057 1
1 404 . 10 1 1 A 42 42 GLY CA C 42 44.645 45.076 -0.431 1
1 405 . 10 1 1 A 42 42 GLY HA3 H 42 4.143 4.201 -0.058 1
1 406 . 10 1 1 A 42 42 GLY C C 42 171.741 171.543 0.198 1
1 407 . 10 1 1 A 42 42 GLY HA2 H 42 4.143 4.201 -0.058 1
1 408 . 10 1 1 A 43 43 PRO CA C 43 63.271 62.414 0.857 1
1 409 . 10 1 1 A 43 43 PRO HA H 43 4.488 4.554 -0.066 1
1 410 . 10 1 1 A 43 43 PRO CB C 43 32.184 32.865 -0.681 1
1 416 . 10 1 1 A 43 43 PRO C C 43 177.380 175.569 1.811 1
1 420 . 10 1 1 A 44 44 SER N N 44 116.453 116.957 -0.504 1
1 421 . 10 1 1 A 44 44 SER H H 44 8.540 8.366 0.174 1
1 1 . 11 1 1 A 8 8 SER CA C 8 58.454 57.705 0.749 1
1 2 . 11 1 1 A 8 8 SER HA H 8 4.440 4.655 -0.215 1
1 3 . 11 1 1 A 8 8 SER CB C 8 63.904 64.364 -0.460 1
1 5 . 11 1 1 A 8 8 SER C C 8 175.126 174.716 0.410 1
1 7 . 11 1 1 A 9 9 GLY N N 9 110.864 111.428 -0.564 1
1 8 . 11 1 1 A 9 9 GLY H H 9 8.493 8.504 -0.011 1
1 9 . 11 1 1 A 9 9 GLY CA C 9 45.376 46.794 -1.418 1
1 10 . 11 1 1 A 9 9 GLY C C 9 174.128 173.743 0.385 1
1 11 . 11 1 1 A 9 9 GLY HA2 H 9 3.960 3.984 -0.024 1
1 12 . 11 1 1 A 10 10 GLU N N 10 120.050 122.378 -2.328 1
1 13 . 11 1 1 A 10 10 GLU H H 10 8.255 8.575 -0.320 1
1 14 . 11 1 1 A 10 10 GLU CA C 10 56.893 55.630 1.263 1
1 15 . 11 1 1 A 10 10 GLU HA H 10 4.236 4.631 -0.395 1
1 16 . 11 1 1 A 10 10 GLU CB C 10 30.417 30.109 0.308 1
1 20 . 11 1 1 A 10 10 GLU C C 10 176.477 175.880 0.597 1
1 23 . 11 1 1 A 11 11 ARG N N 11 121.287 118.932 2.355 1
1 24 . 11 1 1 A 11 11 ARG H H 11 8.311 7.729 0.582 1
1 25 . 11 1 1 A 11 11 ARG CA C 11 53.586 53.302 0.284 1
1 26 . 11 1 1 A 11 11 ARG HA H 11 4.588 4.723 -0.135 1
1 27 . 11 1 1 A 11 11 ARG CB C 11 30.618 30.364 0.254 1
1 33 . 11 1 1 A 11 11 ARG C C 11 173.631 175.675 -2.044 1
1 37 . 11 1 1 A 12 12 PRO CA C 12 63.542 64.605 -1.063 1
1 38 . 11 1 1 A 12 12 PRO HA H 12 4.349 4.410 -0.061 1
1 39 . 11 1 1 A 12 12 PRO CB C 12 32.216 31.648 0.568 1
1 45 . 11 1 1 A 12 12 PRO C C 12 176.387 175.814 0.573 1
1 49 . 11 1 1 A 13 13 TYR N N 13 119.060 117.575 1.485 1
1 50 . 11 1 1 A 13 13 TYR H H 13 8.102 7.736 0.366 1
1 51 . 11 1 1 A 13 13 TYR CA C 13 56.965 56.492 0.473 1
1 52 . 11 1 1 A 13 13 TYR HA H 13 4.754 4.958 -0.204 1
1 53 . 11 1 1 A 13 13 TYR CB C 13 38.432 38.166 0.266 1
1 63 . 11 1 1 A 13 13 TYR C C 13 175.135 175.156 -0.021 1
1 65 . 11 1 1 A 14 14 GLY N N 14 111.562 111.063 0.499 1
1 66 . 11 1 1 A 14 14 GLY H H 14 8.513 9.040 -0.527 1
1 67 . 11 1 1 A 14 14 GLY CA C 14 45.058 44.067 0.991 1
1 68 . 11 1 1 A 14 14 GLY HA3 H 14 4.932 4.357 0.575 1
1 69 . 11 1 1 A 14 14 GLY C C 14 172.508 172.047 0.461 1
1 70 . 11 1 1 A 14 14 GLY HA2 H 14 3.638 4.355 -0.717 1
1 71 . 11 1 1 A 15 15 CYS N N 15 124.194 119.550 4.644 1
1 72 . 11 1 1 A 15 15 CYS H H 15 9.008 8.595 0.413 1
1 73 . 11 1 1 A 15 15 CYS CA C 15 58.959 57.658 1.301 1
1 74 . 11 1 1 A 15 15 CYS HA H 15 4.695 4.950 -0.255 1
1 75 . 11 1 1 A 15 15 CYS CB C 15 30.119 28.265 1.854 1
1 77 . 11 1 1 A 15 15 CYS C C 15 177.447 174.946 2.501 1
1 79 . 11 1 1 A 16 16 ASN N N 16 129.997 123.921 6.076 1
1 80 . 11 1 1 A 16 16 ASN H H 16 9.480 8.796 0.684 1
1 81 . 11 1 1 A 16 16 ASN CA C 16 55.267 56.702 -1.435 1
1 82 . 11 1 1 A 16 16 ASN HA H 16 4.625 4.412 0.213 1
1 83 . 11 1 1 A 16 16 ASN CB C 16 38.516 37.830 0.686 1
1 88 . 11 1 1 A 16 16 ASN C C 16 175.463 177.717 -2.254 1
1 90 . 11 1 1 A 17 17 GLU N N 17 121.690 119.288 2.402 1
1 91 . 11 1 1 A 17 17 GLU H H 17 9.024 8.363 0.661 1
1 92 . 11 1 1 A 17 17 GLU CA C 17 58.253 59.419 -1.166 1
1 93 . 11 1 1 A 17 17 GLU HA H 17 4.239 3.995 0.244 1
1 94 . 11 1 1 A 17 17 GLU CB C 17 29.490 29.353 0.137 1
1 98 . 11 1 1 A 17 17 GLU C C 17 177.355 178.067 -0.712 1
1 101 . 11 1 1 A 18 18 CYS N N 18 115.999 114.828 1.171 1
1 102 . 11 1 1 A 18 18 CYS H H 18 8.351 7.803 0.548 1
1 103 . 11 1 1 A 18 18 CYS CA C 18 58.536 59.578 -1.042 1
1 104 . 11 1 1 A 18 18 CYS HA H 18 5.170 4.569 0.601 1
1 105 . 11 1 1 A 18 18 CYS CB C 18 32.295 29.597 2.698 1
1 107 . 11 1 1 A 18 18 CYS C C 18 176.224 175.254 0.970 1
1 109 . 11 1 1 A 19 19 GLY N N 19 112.718 109.922 2.796 1
1 110 . 11 1 1 A 19 19 GLY H H 19 8.032 8.556 -0.524 1
1 111 . 11 1 1 A 19 19 GLY CA C 19 46.253 46.123 0.130 1
1 112 . 11 1 1 A 19 19 GLY HA3 H 19 4.228 4.044 0.184 1
1 113 . 11 1 1 A 19 19 GLY C C 19 174.201 173.974 0.227 1
1 114 . 11 1 1 A 19 19 GLY HA2 H 19 3.901 4.042 -0.141 1
1 115 . 11 1 1 A 20 20 LYS N N 20 122.353 119.388 2.965 1
1 116 . 11 1 1 A 20 20 LYS H H 20 7.856 7.762 0.094 1
1 117 . 11 1 1 A 20 20 LYS CA C 20 57.657 54.418 3.239 1
1 118 . 11 1 1 A 20 20 LYS HA H 20 4.043 4.619 -0.576 1
1 119 . 11 1 1 A 20 20 LYS CB C 20 34.015 35.279 -1.264 1
1 127 . 11 1 1 A 20 20 LYS C C 20 173.954 174.993 -1.039 1
1 132 . 11 1 1 A 21 21 ASN N N 21 117.851 122.387 -4.536 1
1 133 . 11 1 1 A 21 21 ASN H H 21 7.905 8.752 -0.847 1
1 134 . 11 1 1 A 21 21 ASN CA C 21 51.903 51.065 0.838 1
1 135 . 11 1 1 A 21 21 ASN HA H 21 5.337 5.445 -0.108 1
1 136 . 11 1 1 A 21 21 ASN CB C 21 41.671 40.224 1.447 1
1 141 . 11 1 1 A 21 21 ASN C C 21 174.118 173.391 0.727 1
1 143 . 11 1 1 A 22 22 PHE N N 22 117.132 116.287 0.845 1
1 144 . 11 1 1 A 22 22 PHE H H 22 8.604 8.666 -0.062 1
1 145 . 11 1 1 A 22 22 PHE CA C 22 57.519 56.622 0.897 1
1 146 . 11 1 1 A 22 22 PHE HA H 22 4.753 5.024 -0.271 1
1 147 . 11 1 1 A 22 22 PHE CB C 22 43.604 43.925 -0.321 1
1 159 . 11 1 1 A 22 22 PHE C C 22 175.478 175.713 -0.235 1
1 161 . 11 1 1 A 23 23 GLY CA C 23 45.805 46.453 -0.648 1
1 162 . 11 1 1 A 23 23 GLY HA3 H 23 4.493 4.165 0.328 1
1 163 . 11 1 1 A 23 23 GLY HA2 H 23 4.065 4.109 -0.044 1
1 164 . 11 1 1 A 24 24 ARG N N 24 115.504 120.591 -5.087 1
1 165 . 11 1 1 A 24 24 ARG H H 24 7.280 7.659 -0.379 1
1 166 . 11 1 1 A 24 24 ARG CA C 24 53.903 54.520 -0.617 1
1 167 . 11 1 1 A 24 24 ARG HA H 24 4.647 4.644 0.003 1
1 168 . 11 1 1 A 24 24 ARG CB C 24 33.063 31.450 1.613 1
1 177 . 11 1 1 A 25 25 HIS N N 25 112.630 122.790 -10.160 1
1 178 . 11 1 1 A 25 25 HIS H H 25 8.702 8.874 -0.172 1
1 179 . 11 1 1 A 25 25 HIS CA C 25 60.282 59.858 0.424 1
1 180 . 11 1 1 A 25 25 HIS HA H 25 3.275 2.443 0.832 1
1 181 . 11 1 1 A 25 25 HIS CB C 25 30.569 30.140 0.429 1
1 188 . 11 1 1 A 26 26 SER CA C 26 61.201 62.064 -0.863 1
1 189 . 11 1 1 A 26 26 SER HA H 26 3.832 3.698 0.134 1
1 190 . 11 1 1 A 26 26 SER CB C 26 61.402 62.700 -1.298 1
1 192 . 11 1 1 A 26 26 SER C C 26 176.998 176.653 0.345 1
1 194 . 11 1 1 A 27 27 HIS N N 27 120.791 119.197 1.594 1
1 195 . 11 1 1 A 27 27 HIS H H 27 6.716 7.973 -1.257 1
1 196 . 11 1 1 A 27 27 HIS CA C 27 56.885 58.791 -1.906 1
1 197 . 11 1 1 A 27 27 HIS HA H 27 4.438 4.090 0.348 1
1 198 . 11 1 1 A 27 27 HIS CB C 27 31.710 29.634 2.076 1
1 204 . 11 1 1 A 27 27 HIS C C 27 178.259 177.451 0.808 1
1 206 . 11 1 1 A 28 28 LEU N N 28 121.891 120.077 1.814 1
1 207 . 11 1 1 A 28 28 LEU H H 28 7.048 7.258 -0.210 1
1 208 . 11 1 1 A 28 28 LEU CA C 28 57.858 58.123 -0.265 1
1 209 . 11 1 1 A 28 28 LEU HA H 28 3.316 3.644 -0.328 1
1 210 . 11 1 1 A 28 28 LEU CB C 28 40.235 41.603 -1.368 1
1 222 . 11 1 1 A 28 28 LEU C C 28 177.276 178.462 -1.186 1
1 224 . 11 1 1 A 29 29 ILE N N 29 118.247 120.040 -1.793 1
1 225 . 11 1 1 A 29 29 ILE H H 29 7.890 8.081 -0.191 1
1 226 . 11 1 1 A 29 29 ILE CA C 29 63.737 65.145 -1.408 1
1 227 . 11 1 1 A 29 29 ILE HA H 29 3.547 3.480 0.067 1
1 228 . 11 1 1 A 29 29 ILE CB C 29 36.186 37.440 -1.254 1
1 240 . 11 1 1 A 29 29 ILE C C 29 178.830 178.672 0.158 1
1 242 . 11 1 1 A 30 30 GLU N N 30 117.991 121.216 -3.225 1
1 243 . 11 1 1 A 30 30 GLU H H 30 7.499 7.773 -0.274 1
1 244 . 11 1 1 A 30 30 GLU CA C 30 59.104 59.461 -0.357 1
1 245 . 11 1 1 A 30 30 GLU HA H 30 3.959 3.870 0.089 1
1 246 . 11 1 1 A 30 30 GLU CB C 30 29.435 29.383 0.052 1
1 250 . 11 1 1 A 30 30 GLU C C 30 178.622 178.536 0.086 1
1 253 . 11 1 1 A 31 31 HIS N N 31 119.737 119.959 -0.222 1
1 254 . 11 1 1 A 31 31 HIS H H 31 7.541 7.921 -0.380 1
1 255 . 11 1 1 A 31 31 HIS CA C 31 59.599 58.946 0.653 1
1 256 . 11 1 1 A 31 31 HIS HA H 31 4.113 4.014 0.099 1
1 257 . 11 1 1 A 31 31 HIS CB C 31 28.503 30.081 -1.578 1
1 263 . 11 1 1 A 31 31 HIS C C 31 177.036 176.475 0.561 1
1 265 . 11 1 1 A 32 32 LEU N N 32 118.963 119.197 -0.234 1
1 266 . 11 1 1 A 32 32 LEU H H 32 8.669 7.602 1.067 1
1 267 . 11 1 1 A 32 32 LEU CA C 32 58.231 57.064 1.167 1
1 268 . 11 1 1 A 32 32 LEU HA H 32 3.868 3.940 -0.072 1
1 269 . 11 1 1 A 32 32 LEU CB C 32 41.914 41.756 0.158 1
1 281 . 11 1 1 A 32 32 LEU C C 32 179.605 178.770 0.835 1
1 283 . 11 1 1 A 33 33 LYS N N 33 117.980 117.605 0.375 1
1 284 . 11 1 1 A 33 33 LYS H H 33 7.426 8.163 -0.737 1
1 285 . 11 1 1 A 33 33 LYS CA C 33 59.259 60.368 -1.109 1
1 286 . 11 1 1 A 33 33 LYS HA H 33 3.964 3.888 0.076 1
1 287 . 11 1 1 A 33 33 LYS CB C 33 32.436 32.227 0.209 1
1 295 . 11 1 1 A 33 33 LYS C C 33 178.878 179.415 -0.537 1
1 300 . 11 1 1 A 34 34 ARG N N 34 117.379 119.147 -1.768 1
1 301 . 11 1 1 A 34 34 ARG H H 34 7.659 7.911 -0.252 1
1 302 . 11 1 1 A 34 34 ARG CA C 34 57.923 59.788 -1.865 1
1 303 . 11 1 1 A 34 34 ARG HA H 34 4.030 3.892 0.138 1
1 304 . 11 1 1 A 34 34 ARG CB C 34 29.157 29.717 -0.560 1
1 310 . 11 1 1 A 34 34 ARG C C 34 178.055 178.890 -0.835 1
1 314 . 11 1 1 A 35 35 HIS N N 35 115.913 118.552 -2.639 1
1 315 . 11 1 1 A 35 35 HIS H H 35 7.257 7.836 -0.579 1
1 316 . 11 1 1 A 35 35 HIS CA C 35 56.578 58.842 -2.264 1
1 317 . 11 1 1 A 35 35 HIS HA H 35 4.629 4.197 0.432 1
1 318 . 11 1 1 A 35 35 HIS CB C 35 28.654 29.967 -1.313 1
1 324 . 11 1 1 A 35 35 HIS C C 35 175.953 177.774 -1.821 1
1 326 . 11 1 1 A 36 36 PHE N N 36 119.384 119.184 0.200 1
1 327 . 11 1 1 A 36 36 PHE H H 36 7.760 8.285 -0.525 1
1 328 . 11 1 1 A 36 36 PHE CA C 36 58.890 61.916 -3.026 1
1 329 . 11 1 1 A 36 36 PHE HA H 36 4.543 4.035 0.508 1
1 330 . 11 1 1 A 36 36 PHE CB C 36 39.026 39.394 -0.368 1
1 342 . 11 1 1 A 36 36 PHE C C 36 176.549 176.905 -0.356 1
1 344 . 11 1 1 A 37 37 ARG N N 37 121.608 117.599 4.009 1
1 345 . 11 1 1 A 37 37 ARG H H 37 8.099 7.883 0.216 1
1 346 . 11 1 1 A 37 37 ARG CA C 37 56.871 55.492 1.379 1
1 347 . 11 1 1 A 37 37 ARG HA H 37 4.231 4.604 -0.373 1
1 348 . 11 1 1 A 37 37 ARG CB C 37 30.858 28.909 1.949 1
1 354 . 11 1 1 A 37 37 ARG C C 37 176.808 174.962 1.846 1
1 358 . 11 1 1 A 38 38 GLU N N 38 120.749 120.488 0.261 1
1 359 . 11 1 1 A 38 38 GLU H H 38 8.205 8.193 0.012 1
1 360 . 11 1 1 A 38 38 GLU CA C 38 57.166 54.842 2.324 1
1 361 . 11 1 1 A 38 38 GLU HA H 38 4.194 5.030 -0.836 1
1 362 . 11 1 1 A 38 38 GLU CB C 38 30.047 33.823 -3.776 1
1 366 . 11 1 1 A 38 38 GLU C C 38 176.985 174.205 2.780 1
1 369 . 11 1 1 A 39 39 LYS N N 39 121.011 122.209 -1.198 1
1 370 . 11 1 1 A 39 39 LYS H H 39 8.130 8.768 -0.638 1
1 371 . 11 1 1 A 39 39 LYS CA C 39 56.734 55.032 1.702 1
1 372 . 11 1 1 A 39 39 LYS HA H 39 4.315 4.888 -0.573 1
1 373 . 11 1 1 A 39 39 LYS CB C 39 32.934 33.350 -0.416 1
1 381 . 11 1 1 A 39 39 LYS C C 39 176.838 174.868 1.970 1
1 386 . 11 1 1 A 40 40 SER N N 40 116.295 117.957 -1.662 1
1 387 . 11 1 1 A 40 40 SER H H 40 8.203 8.657 -0.454 1
1 388 . 11 1 1 A 40 40 SER CA C 40 58.413 57.345 1.068 1
1 389 . 11 1 1 A 40 40 SER HA H 40 4.474 5.160 -0.686 1
1 390 . 11 1 1 A 40 40 SER CB C 40 63.797 66.547 -2.750 1
1 392 . 11 1 1 A 40 40 SER C C 40 174.559 172.946 1.613 1
1 394 . 11 1 1 A 41 41 SER N N 41 117.522 115.354 2.168 1
1 395 . 11 1 1 A 41 41 SER H H 41 8.267 8.760 -0.493 1
1 396 . 11 1 1 A 41 41 SER CA C 41 58.400 57.867 0.533 1
1 397 . 11 1 1 A 41 41 SER HA H 41 4.488 4.976 -0.488 1
1 398 . 11 1 1 A 41 41 SER CB C 41 64.016 66.710 -2.694 1
1 400 . 11 1 1 A 41 41 SER C C 41 174.474 172.797 1.677 1
1 402 . 11 1 1 A 42 42 GLY N N 42 110.551 110.377 0.174 1
1 403 . 11 1 1 A 42 42 GLY H H 42 8.215 8.472 -0.257 1
1 404 . 11 1 1 A 42 42 GLY CA C 42 44.645 44.750 -0.105 1
1 405 . 11 1 1 A 42 42 GLY HA3 H 42 4.143 4.374 -0.231 1
1 406 . 11 1 1 A 42 42 GLY C C 42 171.741 174.115 -2.374 1
1 407 . 11 1 1 A 42 42 GLY HA2 H 42 4.143 4.373 -0.230 1
1 408 . 11 1 1 A 43 43 PRO CA C 43 63.271 64.377 -1.106 1
1 409 . 11 1 1 A 43 43 PRO HA H 43 4.488 4.428 0.060 1
1 410 . 11 1 1 A 43 43 PRO CB C 43 32.184 32.069 0.115 1
1 416 . 11 1 1 A 43 43 PRO C C 43 177.380 176.405 0.975 1
1 420 . 11 1 1 A 44 44 SER N N 44 116.453 114.508 1.945 1
1 421 . 11 1 1 A 44 44 SER H H 44 8.540 7.805 0.735 1
1 1 . 12 1 1 A 8 8 SER CA C 8 58.454 56.183 2.271 1
1 2 . 12 1 1 A 8 8 SER HA H 8 4.440 5.106 -0.666 1
1 3 . 12 1 1 A 8 8 SER CB C 8 63.904 65.550 -1.646 1
1 5 . 12 1 1 A 8 8 SER C C 8 175.126 174.387 0.739 1
1 7 . 12 1 1 A 9 9 GLY N N 9 110.864 111.964 -1.100 1
1 8 . 12 1 1 A 9 9 GLY H H 9 8.493 8.752 -0.259 1
1 9 . 12 1 1 A 9 9 GLY CA C 9 45.376 46.403 -1.027 1
1 10 . 12 1 1 A 9 9 GLY C C 9 174.128 174.267 -0.139 1
1 11 . 12 1 1 A 9 9 GLY HA2 H 9 3.960 3.951 0.009 1
1 12 . 12 1 1 A 10 10 GLU N N 10 120.050 122.823 -2.773 1
1 13 . 12 1 1 A 10 10 GLU H H 10 8.255 8.273 -0.018 1
1 14 . 12 1 1 A 10 10 GLU CA C 10 56.893 55.490 1.403 1
1 15 . 12 1 1 A 10 10 GLU HA H 10 4.236 4.339 -0.103 1
1 16 . 12 1 1 A 10 10 GLU CB C 10 30.417 28.445 1.972 1
1 20 . 12 1 1 A 10 10 GLU C C 10 176.477 175.762 0.715 1
1 23 . 12 1 1 A 11 11 ARG N N 11 121.287 125.645 -4.358 1
1 24 . 12 1 1 A 11 11 ARG H H 11 8.311 8.367 -0.056 1
1 25 . 12 1 1 A 11 11 ARG CA C 11 53.586 55.487 -1.901 1
1 26 . 12 1 1 A 11 11 ARG HA H 11 4.588 4.356 0.232 1
1 27 . 12 1 1 A 11 11 ARG CB C 11 30.618 30.590 0.028 1
1 33 . 12 1 1 A 11 11 ARG C C 11 173.631 176.493 -2.862 1
1 37 . 12 1 1 A 12 12 PRO CA C 12 63.542 65.255 -1.713 1
1 38 . 12 1 1 A 12 12 PRO HA H 12 4.349 4.276 0.073 1
1 39 . 12 1 1 A 12 12 PRO CB C 12 32.216 31.397 0.819 1
1 45 . 12 1 1 A 12 12 PRO C C 12 176.387 176.802 -0.415 1
1 49 . 12 1 1 A 13 13 TYR N N 13 119.060 116.852 2.208 1
1 50 . 12 1 1 A 13 13 TYR H H 13 8.102 7.966 0.136 1
1 51 . 12 1 1 A 13 13 TYR CA C 13 56.965 57.751 -0.786 1
1 52 . 12 1 1 A 13 13 TYR HA H 13 4.754 4.817 -0.063 1
1 53 . 12 1 1 A 13 13 TYR CB C 13 38.432 37.871 0.561 1
1 63 . 12 1 1 A 13 13 TYR C C 13 175.135 176.285 -1.150 1
1 65 . 12 1 1 A 14 14 GLY N N 14 111.562 108.140 3.422 1
1 66 . 12 1 1 A 14 14 GLY H H 14 8.513 8.012 0.501 1
1 67 . 12 1 1 A 14 14 GLY CA C 14 45.058 45.938 -0.880 1
1 68 . 12 1 1 A 14 14 GLY HA3 H 14 4.932 3.963 0.969 1
1 69 . 12 1 1 A 14 14 GLY C C 14 172.508 173.558 -1.050 1
1 70 . 12 1 1 A 14 14 GLY HA2 H 14 3.638 3.963 -0.325 1
1 71 . 12 1 1 A 15 15 CYS N N 15 124.194 125.474 -1.280 1
1 72 . 12 1 1 A 15 15 CYS H H 15 9.008 8.453 0.555 1
1 73 . 12 1 1 A 15 15 CYS CA C 15 58.959 59.182 -0.223 1
1 74 . 12 1 1 A 15 15 CYS HA H 15 4.695 4.672 0.023 1
1 75 . 12 1 1 A 15 15 CYS CB C 15 30.119 28.663 1.456 1
1 77 . 12 1 1 A 15 15 CYS C C 15 177.447 174.839 2.608 1
1 79 . 12 1 1 A 16 16 ASN N N 16 129.997 125.543 4.454 1
1 80 . 12 1 1 A 16 16 ASN H H 16 9.480 9.217 0.263 1
1 81 . 12 1 1 A 16 16 ASN CA C 16 55.267 54.549 0.718 1
1 82 . 12 1 1 A 16 16 ASN HA H 16 4.625 4.847 -0.222 1
1 83 . 12 1 1 A 16 16 ASN CB C 16 38.516 40.154 -1.638 1
1 88 . 12 1 1 A 16 16 ASN C C 16 175.463 177.345 -1.882 1
1 90 . 12 1 1 A 17 17 GLU N N 17 121.690 118.486 3.204 1
1 91 . 12 1 1 A 17 17 GLU H H 17 9.024 8.422 0.602 1
1 92 . 12 1 1 A 17 17 GLU CA C 17 58.253 59.699 -1.446 1
1 93 . 12 1 1 A 17 17 GLU HA H 17 4.239 3.974 0.265 1
1 94 . 12 1 1 A 17 17 GLU CB C 17 29.490 29.275 0.215 1
1 98 . 12 1 1 A 17 17 GLU C C 17 177.355 177.881 -0.526 1
1 101 . 12 1 1 A 18 18 CYS N N 18 115.999 114.565 1.434 1
1 102 . 12 1 1 A 18 18 CYS H H 18 8.351 7.367 0.984 1
1 103 . 12 1 1 A 18 18 CYS CA C 18 58.536 59.473 -0.937 1
1 104 . 12 1 1 A 18 18 CYS HA H 18 5.170 4.583 0.587 1
1 105 . 12 1 1 A 18 18 CYS CB C 18 32.295 29.990 2.305 1
1 107 . 12 1 1 A 18 18 CYS C C 18 176.224 175.443 0.781 1
1 109 . 12 1 1 A 19 19 GLY N N 19 112.718 110.249 2.469 1
1 110 . 12 1 1 A 19 19 GLY H H 19 8.032 8.516 -0.484 1
1 111 . 12 1 1 A 19 19 GLY CA C 19 46.253 46.182 0.071 1
1 112 . 12 1 1 A 19 19 GLY HA3 H 19 4.228 4.004 0.224 1
1 113 . 12 1 1 A 19 19 GLY C C 19 174.201 174.184 0.017 1
1 114 . 12 1 1 A 19 19 GLY HA2 H 19 3.901 3.997 -0.096 1
1 115 . 12 1 1 A 20 20 LYS N N 20 122.353 119.503 2.850 1
1 116 . 12 1 1 A 20 20 LYS H H 20 7.856 7.863 -0.007 1
1 117 . 12 1 1 A 20 20 LYS CA C 20 57.657 54.481 3.176 1
1 118 . 12 1 1 A 20 20 LYS HA H 20 4.043 4.428 -0.385 1
1 119 . 12 1 1 A 20 20 LYS CB C 20 34.015 34.673 -0.658 1
1 127 . 12 1 1 A 20 20 LYS C C 20 173.954 175.484 -1.530 1
1 132 . 12 1 1 A 21 21 ASN N N 21 117.851 123.683 -5.832 1
1 133 . 12 1 1 A 21 21 ASN H H 21 7.905 8.721 -0.816 1
1 134 . 12 1 1 A 21 21 ASN CA C 21 51.903 52.047 -0.144 1
1 135 . 12 1 1 A 21 21 ASN HA H 21 5.337 4.977 0.360 1
1 136 . 12 1 1 A 21 21 ASN CB C 21 41.671 39.824 1.847 1
1 141 . 12 1 1 A 21 21 ASN C C 21 174.118 174.279 -0.161 1
1 143 . 12 1 1 A 22 22 PHE N N 22 117.132 118.110 -0.978 1
1 144 . 12 1 1 A 22 22 PHE H H 22 8.604 8.863 -0.259 1
1 145 . 12 1 1 A 22 22 PHE CA C 22 57.519 56.415 1.104 1
1 146 . 12 1 1 A 22 22 PHE HA H 22 4.753 5.024 -0.271 1
1 147 . 12 1 1 A 22 22 PHE CB C 22 43.604 44.072 -0.468 1
1 159 . 12 1 1 A 22 22 PHE C C 22 175.478 175.455 0.023 1
1 161 . 12 1 1 A 23 23 GLY CA C 23 45.805 45.601 0.204 1
1 162 . 12 1 1 A 23 23 GLY HA3 H 23 4.493 4.259 0.234 1
1 163 . 12 1 1 A 23 23 GLY HA2 H 23 4.065 4.105 -0.040 1
1 164 . 12 1 1 A 24 24 ARG N N 24 115.504 120.027 -4.523 1
1 165 . 12 1 1 A 24 24 ARG H H 24 7.280 7.322 -0.042 1
1 166 . 12 1 1 A 24 24 ARG CA C 24 53.903 53.822 0.081 1
1 167 . 12 1 1 A 24 24 ARG HA H 24 4.647 4.418 0.229 1
1 168 . 12 1 1 A 24 24 ARG CB C 24 33.063 32.408 0.655 1
1 177 . 12 1 1 A 25 25 HIS N N 25 112.630 122.908 -10.278 1
1 178 . 12 1 1 A 25 25 HIS H H 25 8.702 8.989 -0.287 1
1 179 . 12 1 1 A 25 25 HIS CA C 25 60.282 60.525 -0.243 1
1 180 . 12 1 1 A 25 25 HIS HA H 25 3.275 3.876 -0.601 1
1 181 . 12 1 1 A 25 25 HIS CB C 25 30.569 30.435 0.134 1
1 188 . 12 1 1 A 26 26 SER CA C 26 61.201 61.239 -0.038 1
1 189 . 12 1 1 A 26 26 SER HA H 26 3.832 4.097 -0.265 1
1 190 . 12 1 1 A 26 26 SER CB C 26 61.402 62.233 -0.831 1
1 192 . 12 1 1 A 26 26 SER C C 26 176.998 176.624 0.374 1
1 194 . 12 1 1 A 27 27 HIS N N 27 120.791 118.597 2.194 1
1 195 . 12 1 1 A 27 27 HIS H H 27 6.716 8.184 -1.468 1
1 196 . 12 1 1 A 27 27 HIS CA C 27 56.885 59.114 -2.229 1
1 197 . 12 1 1 A 27 27 HIS HA H 27 4.438 4.072 0.366 1
1 198 . 12 1 1 A 27 27 HIS CB C 27 31.710 29.808 1.902 1
1 204 . 12 1 1 A 27 27 HIS C C 27 178.259 177.021 1.238 1
1 206 . 12 1 1 A 28 28 LEU N N 28 121.891 120.204 1.687 1
1 207 . 12 1 1 A 28 28 LEU H H 28 7.048 7.242 -0.194 1
1 208 . 12 1 1 A 28 28 LEU CA C 28 57.858 57.976 -0.118 1
1 209 . 12 1 1 A 28 28 LEU HA H 28 3.316 3.274 0.042 1
1 210 . 12 1 1 A 28 28 LEU CB C 28 40.235 41.844 -1.609 1
1 222 . 12 1 1 A 28 28 LEU C C 28 177.276 178.421 -1.145 1
1 224 . 12 1 1 A 29 29 ILE N N 29 118.247 119.563 -1.316 1
1 225 . 12 1 1 A 29 29 ILE H H 29 7.890 7.677 0.213 1
1 226 . 12 1 1 A 29 29 ILE CA C 29 63.737 65.530 -1.793 1
1 227 . 12 1 1 A 29 29 ILE HA H 29 3.547 3.459 0.088 1
1 228 . 12 1 1 A 29 29 ILE CB C 29 36.186 37.726 -1.540 1
1 240 . 12 1 1 A 29 29 ILE C C 29 178.830 177.598 1.232 1
1 242 . 12 1 1 A 30 30 GLU N N 30 117.991 119.461 -1.470 1
1 243 . 12 1 1 A 30 30 GLU H H 30 7.499 8.249 -0.750 1
1 244 . 12 1 1 A 30 30 GLU CA C 30 59.104 59.724 -0.620 1
1 245 . 12 1 1 A 30 30 GLU HA H 30 3.959 3.870 0.089 1
1 246 . 12 1 1 A 30 30 GLU CB C 30 29.435 29.495 -0.060 1
1 250 . 12 1 1 A 30 30 GLU C C 30 178.622 178.944 -0.322 1
1 253 . 12 1 1 A 31 31 HIS N N 31 119.737 120.099 -0.362 1
1 254 . 12 1 1 A 31 31 HIS H H 31 7.541 7.864 -0.323 1
1 255 . 12 1 1 A 31 31 HIS CA C 31 59.599 59.648 -0.049 1
1 256 . 12 1 1 A 31 31 HIS HA H 31 4.113 4.090 0.023 1
1 257 . 12 1 1 A 31 31 HIS CB C 31 28.503 29.488 -0.985 1
1 263 . 12 1 1 A 31 31 HIS C C 31 177.036 176.710 0.326 1
1 265 . 12 1 1 A 32 32 LEU N N 32 118.963 118.466 0.497 1
1 266 . 12 1 1 A 32 32 LEU H H 32 8.669 8.791 -0.122 1
1 267 . 12 1 1 A 32 32 LEU CA C 32 58.231 57.199 1.032 1
1 268 . 12 1 1 A 32 32 LEU HA H 32 3.868 3.468 0.400 1
1 269 . 12 1 1 A 32 32 LEU CB C 32 41.914 40.866 1.048 1
1 281 . 12 1 1 A 32 32 LEU C C 32 179.605 179.194 0.411 1
1 283 . 12 1 1 A 33 33 LYS N N 33 117.980 119.283 -1.303 1
1 284 . 12 1 1 A 33 33 LYS H H 33 7.426 7.987 -0.561 1
1 285 . 12 1 1 A 33 33 LYS CA C 33 59.259 60.333 -1.074 1
1 286 . 12 1 1 A 33 33 LYS HA H 33 3.964 3.843 0.121 1
1 287 . 12 1 1 A 33 33 LYS CB C 33 32.436 32.068 0.368 1
1 295 . 12 1 1 A 33 33 LYS C C 33 178.878 179.150 -0.272 1
1 300 . 12 1 1 A 34 34 ARG N N 34 117.379 119.232 -1.853 1
1 301 . 12 1 1 A 34 34 ARG H H 34 7.659 7.616 0.043 1
1 302 . 12 1 1 A 34 34 ARG CA C 34 57.923 59.495 -1.572 1
1 303 . 12 1 1 A 34 34 ARG HA H 34 4.030 3.881 0.149 1
1 304 . 12 1 1 A 34 34 ARG CB C 34 29.157 29.802 -0.645 1
1 310 . 12 1 1 A 34 34 ARG C C 34 178.055 178.769 -0.714 1
1 314 . 12 1 1 A 35 35 HIS N N 35 115.913 118.380 -2.467 1
1 315 . 12 1 1 A 35 35 HIS H H 35 7.257 7.754 -0.497 1
1 316 . 12 1 1 A 35 35 HIS CA C 35 56.578 59.260 -2.682 1
1 317 . 12 1 1 A 35 35 HIS HA H 35 4.629 4.191 0.438 1
1 318 . 12 1 1 A 35 35 HIS CB C 35 28.654 30.044 -1.390 1
1 324 . 12 1 1 A 35 35 HIS C C 35 175.953 177.750 -1.797 1
1 326 . 12 1 1 A 36 36 PHE N N 36 119.384 119.536 -0.152 1
1 327 . 12 1 1 A 36 36 PHE H H 36 7.760 8.123 -0.363 1
1 328 . 12 1 1 A 36 36 PHE CA C 36 58.890 62.067 -3.177 1
1 329 . 12 1 1 A 36 36 PHE HA H 36 4.543 4.043 0.500 1
1 330 . 12 1 1 A 36 36 PHE CB C 36 39.026 39.328 -0.302 1
1 342 . 12 1 1 A 36 36 PHE C C 36 176.549 176.659 -0.110 1
1 344 . 12 1 1 A 37 37 ARG N N 37 121.608 120.261 1.347 1
1 345 . 12 1 1 A 37 37 ARG H H 37 8.099 7.833 0.266 1
1 346 . 12 1 1 A 37 37 ARG CA C 37 56.871 57.155 -0.284 1
1 347 . 12 1 1 A 37 37 ARG HA H 37 4.231 4.122 0.109 1
1 348 . 12 1 1 A 37 37 ARG CB C 37 30.858 30.701 0.157 1
1 354 . 12 1 1 A 37 37 ARG C C 37 176.808 175.370 1.438 1
1 358 . 12 1 1 A 38 38 GLU N N 38 120.749 126.532 -5.783 1
1 359 . 12 1 1 A 38 38 GLU H H 38 8.205 8.682 -0.477 1
1 360 . 12 1 1 A 38 38 GLU CA C 38 57.166 54.827 2.339 1
1 361 . 12 1 1 A 38 38 GLU HA H 38 4.194 4.929 -0.735 1
1 362 . 12 1 1 A 38 38 GLU CB C 38 30.047 31.597 -1.550 1
1 366 . 12 1 1 A 38 38 GLU C C 38 176.985 174.902 2.083 1
1 369 . 12 1 1 A 39 39 LYS N N 39 121.011 127.343 -6.332 1
1 370 . 12 1 1 A 39 39 LYS H H 39 8.130 8.723 -0.593 1
1 371 . 12 1 1 A 39 39 LYS CA C 39 56.734 55.442 1.292 1
1 372 . 12 1 1 A 39 39 LYS HA H 39 4.315 4.342 -0.027 1
1 373 . 12 1 1 A 39 39 LYS CB C 39 32.934 31.615 1.319 1
1 381 . 12 1 1 A 39 39 LYS C C 39 176.838 177.092 -0.254 1
1 386 . 12 1 1 A 40 40 SER N N 40 116.295 120.840 -4.545 1
1 387 . 12 1 1 A 40 40 SER H H 40 8.203 8.215 -0.012 1
1 388 . 12 1 1 A 40 40 SER CA C 40 58.413 57.764 0.649 1
1 389 . 12 1 1 A 40 40 SER HA H 40 4.474 4.507 -0.033 1
1 390 . 12 1 1 A 40 40 SER CB C 40 63.797 62.696 1.101 1
1 392 . 12 1 1 A 40 40 SER C C 40 174.559 173.899 0.660 1
1 394 . 12 1 1 A 41 41 SER N N 41 117.522 118.598 -1.076 1
1 395 . 12 1 1 A 41 41 SER H H 41 8.267 7.719 0.548 1
1 396 . 12 1 1 A 41 41 SER CA C 41 58.400 59.059 -0.659 1
1 397 . 12 1 1 A 41 41 SER HA H 41 4.488 4.646 -0.158 1
1 398 . 12 1 1 A 41 41 SER CB C 41 64.016 63.296 0.720 1
1 400 . 12 1 1 A 41 41 SER C C 41 174.474 175.031 -0.557 1
1 402 . 12 1 1 A 42 42 GLY N N 42 110.551 112.377 -1.826 1
1 403 . 12 1 1 A 42 42 GLY H H 42 8.215 8.435 -0.220 1
1 404 . 12 1 1 A 42 42 GLY CA C 42 44.645 44.836 -0.191 1
1 405 . 12 1 1 A 42 42 GLY HA3 H 42 4.143 4.120 0.023 1
1 406 . 12 1 1 A 42 42 GLY C C 42 171.741 173.346 -1.605 1
1 407 . 12 1 1 A 42 42 GLY HA2 H 42 4.143 4.120 0.023 1
1 408 . 12 1 1 A 43 43 PRO CA C 43 63.271 62.409 0.862 1
1 409 . 12 1 1 A 43 43 PRO HA H 43 4.488 4.577 -0.089 1
1 410 . 12 1 1 A 43 43 PRO CB C 43 32.184 33.210 -1.026 1
1 416 . 12 1 1 A 43 43 PRO C C 43 177.380 175.725 1.655 1
1 420 . 12 1 1 A 44 44 SER N N 44 116.453 117.044 -0.591 1
1 421 . 12 1 1 A 44 44 SER H H 44 8.540 8.541 -0.001 1
1 1 . 13 1 1 A 8 8 SER CA C 8 58.454 59.561 -1.107 1
1 2 . 13 1 1 A 8 8 SER HA H 8 4.440 4.700 -0.260 1
1 3 . 13 1 1 A 8 8 SER CB C 8 63.904 64.976 -1.072 1
1 5 . 13 1 1 A 8 8 SER C C 8 175.126 173.154 1.972 1
1 7 . 13 1 1 A 9 9 GLY N N 9 110.864 107.467 3.397 1
1 8 . 13 1 1 A 9 9 GLY H H 9 8.493 7.957 0.536 1
1 9 . 13 1 1 A 9 9 GLY CA C 9 45.376 45.256 0.120 1
1 10 . 13 1 1 A 9 9 GLY C C 9 174.128 173.411 0.717 1
1 11 . 13 1 1 A 9 9 GLY HA2 H 9 3.960 4.141 -0.181 1
1 12 . 13 1 1 A 10 10 GLU N N 10 120.050 125.772 -5.722 1
1 13 . 13 1 1 A 10 10 GLU H H 10 8.255 8.850 -0.595 1
1 14 . 13 1 1 A 10 10 GLU CA C 10 56.893 55.882 1.011 1
1 15 . 13 1 1 A 10 10 GLU HA H 10 4.236 4.582 -0.346 1
1 16 . 13 1 1 A 10 10 GLU CB C 10 30.417 29.721 0.696 1
1 20 . 13 1 1 A 10 10 GLU C C 10 176.477 175.511 0.966 1
1 23 . 13 1 1 A 11 11 ARG N N 11 121.287 119.201 2.086 1
1 24 . 13 1 1 A 11 11 ARG H H 11 8.311 7.435 0.876 1
1 25 . 13 1 1 A 11 11 ARG CA C 11 53.586 55.305 -1.719 1
1 26 . 13 1 1 A 11 11 ARG HA H 11 4.588 4.438 0.150 1
1 27 . 13 1 1 A 11 11 ARG CB C 11 30.618 30.575 0.043 1
1 33 . 13 1 1 A 11 11 ARG C C 11 173.631 176.509 -2.878 1
1 37 . 13 1 1 A 12 12 PRO CA C 12 63.542 65.040 -1.498 1
1 38 . 13 1 1 A 12 12 PRO HA H 12 4.349 4.340 0.009 1
1 39 . 13 1 1 A 12 12 PRO CB C 12 32.216 31.745 0.471 1
1 45 . 13 1 1 A 12 12 PRO C C 12 176.387 175.857 0.530 1
1 49 . 13 1 1 A 13 13 TYR N N 13 119.060 118.351 0.709 1
1 50 . 13 1 1 A 13 13 TYR H H 13 8.102 7.829 0.273 1
1 51 . 13 1 1 A 13 13 TYR CA C 13 56.965 57.487 -0.522 1
1 52 . 13 1 1 A 13 13 TYR HA H 13 4.754 4.741 0.013 1
1 53 . 13 1 1 A 13 13 TYR CB C 13 38.432 38.969 -0.537 1
1 63 . 13 1 1 A 13 13 TYR C C 13 175.135 175.818 -0.683 1
1 65 . 13 1 1 A 14 14 GLY N N 14 111.562 111.535 0.027 1
1 66 . 13 1 1 A 14 14 GLY H H 14 8.513 8.860 -0.347 1
1 67 . 13 1 1 A 14 14 GLY CA C 14 45.058 44.530 0.528 1
1 68 . 13 1 1 A 14 14 GLY HA3 H 14 4.932 4.432 0.500 1
1 69 . 13 1 1 A 14 14 GLY C C 14 172.508 171.981 0.527 1
1 70 . 13 1 1 A 14 14 GLY HA2 H 14 3.638 4.424 -0.786 1
1 71 . 13 1 1 A 15 15 CYS N N 15 124.194 119.368 4.826 1
1 72 . 13 1 1 A 15 15 CYS H H 15 9.008 8.966 0.042 1
1 73 . 13 1 1 A 15 15 CYS CA C 15 58.959 57.732 1.227 1
1 74 . 13 1 1 A 15 15 CYS HA H 15 4.695 5.253 -0.558 1
1 75 . 13 1 1 A 15 15 CYS CB C 15 30.119 30.603 -0.484 1
1 77 . 13 1 1 A 15 15 CYS C C 15 177.447 176.265 1.182 1
1 79 . 13 1 1 A 16 16 ASN N N 16 129.997 124.014 5.983 1
1 80 . 13 1 1 A 16 16 ASN H H 16 9.480 8.608 0.872 1
1 81 . 13 1 1 A 16 16 ASN CA C 16 55.267 54.683 0.584 1
1 82 . 13 1 1 A 16 16 ASN HA H 16 4.625 4.699 -0.074 1
1 83 . 13 1 1 A 16 16 ASN CB C 16 38.516 39.245 -0.729 1
1 88 . 13 1 1 A 16 16 ASN C C 16 175.463 177.187 -1.724 1
1 90 . 13 1 1 A 17 17 GLU N N 17 121.690 119.745 1.945 1
1 91 . 13 1 1 A 17 17 GLU H H 17 9.024 8.381 0.643 1
1 92 . 13 1 1 A 17 17 GLU CA C 17 58.253 59.578 -1.325 1
1 93 . 13 1 1 A 17 17 GLU HA H 17 4.239 3.947 0.292 1
1 94 . 13 1 1 A 17 17 GLU CB C 17 29.490 29.173 0.317 1
1 98 . 13 1 1 A 17 17 GLU C C 17 177.355 177.835 -0.480 1
1 101 . 13 1 1 A 18 18 CYS N N 18 115.999 114.086 1.913 1
1 102 . 13 1 1 A 18 18 CYS H H 18 8.351 7.278 1.073 1
1 103 . 13 1 1 A 18 18 CYS CA C 18 58.536 59.416 -0.880 1
1 104 . 13 1 1 A 18 18 CYS HA H 18 5.170 4.607 0.563 1
1 105 . 13 1 1 A 18 18 CYS CB C 18 32.295 29.987 2.308 1
1 107 . 13 1 1 A 18 18 CYS C C 18 176.224 175.467 0.757 1
1 109 . 13 1 1 A 19 19 GLY N N 19 112.718 110.061 2.657 1
1 110 . 13 1 1 A 19 19 GLY H H 19 8.032 8.379 -0.347 1
1 111 . 13 1 1 A 19 19 GLY CA C 19 46.253 45.862 0.391 1
1 112 . 13 1 1 A 19 19 GLY HA3 H 19 4.228 4.046 0.182 1
1 113 . 13 1 1 A 19 19 GLY C C 19 174.201 173.974 0.227 1
1 114 . 13 1 1 A 19 19 GLY HA2 H 19 3.901 4.037 -0.136 1
1 115 . 13 1 1 A 20 20 LYS N N 20 122.353 119.321 3.032 1
1 116 . 13 1 1 A 20 20 LYS H H 20 7.856 7.832 0.024 1
1 117 . 13 1 1 A 20 20 LYS CA C 20 57.657 54.219 3.438 1
1 118 . 13 1 1 A 20 20 LYS HA H 20 4.043 4.565 -0.522 1
1 119 . 13 1 1 A 20 20 LYS CB C 20 34.015 35.145 -1.130 1
1 127 . 13 1 1 A 20 20 LYS C C 20 173.954 175.157 -1.203 1
1 132 . 13 1 1 A 21 21 ASN N N 21 117.851 121.141 -3.290 1
1 133 . 13 1 1 A 21 21 ASN H H 21 7.905 8.284 -0.379 1
1 134 . 13 1 1 A 21 21 ASN CA C 21 51.903 51.493 0.410 1
1 135 . 13 1 1 A 21 21 ASN HA H 21 5.337 5.342 -0.005 1
1 136 . 13 1 1 A 21 21 ASN CB C 21 41.671 41.284 0.387 1
1 141 . 13 1 1 A 21 21 ASN C C 21 174.118 173.349 0.769 1
1 143 . 13 1 1 A 22 22 PHE N N 22 117.132 118.124 -0.992 1
1 144 . 13 1 1 A 22 22 PHE H H 22 8.604 8.731 -0.127 1
1 145 . 13 1 1 A 22 22 PHE CA C 22 57.519 56.480 1.039 1
1 146 . 13 1 1 A 22 22 PHE HA H 22 4.753 4.798 -0.045 1
1 147 . 13 1 1 A 22 22 PHE CB C 22 43.604 43.781 -0.177 1
1 159 . 13 1 1 A 22 22 PHE C C 22 175.478 175.511 -0.033 1
1 161 . 13 1 1 A 23 23 GLY CA C 23 45.805 46.443 -0.638 1
1 162 . 13 1 1 A 23 23 GLY HA3 H 23 4.493 4.169 0.324 1
1 163 . 13 1 1 A 23 23 GLY HA2 H 23 4.065 4.089 -0.024 1
1 164 . 13 1 1 A 24 24 ARG N N 24 115.504 120.187 -4.683 1
1 165 . 13 1 1 A 24 24 ARG H H 24 7.280 7.650 -0.370 1
1 166 . 13 1 1 A 24 24 ARG CA C 24 53.903 55.195 -1.292 1
1 167 . 13 1 1 A 24 24 ARG HA H 24 4.647 4.526 0.121 1
1 168 . 13 1 1 A 24 24 ARG CB C 24 33.063 31.180 1.883 1
1 177 . 13 1 1 A 25 25 HIS N N 25 112.630 123.095 -10.465 1
1 178 . 13 1 1 A 25 25 HIS H H 25 8.702 8.949 -0.247 1
1 179 . 13 1 1 A 25 25 HIS CA C 25 60.282 60.190 0.092 1
1 180 . 13 1 1 A 25 25 HIS HA H 25 3.275 2.947 0.328 1
1 181 . 13 1 1 A 25 25 HIS CB C 25 30.569 30.196 0.373 1
1 188 . 13 1 1 A 26 26 SER CA C 26 61.201 61.217 -0.016 1
1 189 . 13 1 1 A 26 26 SER HA H 26 3.832 3.873 -0.041 1
1 190 . 13 1 1 A 26 26 SER CB C 26 61.402 62.157 -0.755 1
1 192 . 13 1 1 A 26 26 SER C C 26 176.998 176.156 0.842 1
1 194 . 13 1 1 A 27 27 HIS N N 27 120.791 121.358 -0.567 1
1 195 . 13 1 1 A 27 27 HIS H H 27 6.716 8.026 -1.310 1
1 196 . 13 1 1 A 27 27 HIS CA C 27 56.885 59.741 -2.856 1
1 197 . 13 1 1 A 27 27 HIS HA H 27 4.438 3.832 0.606 1
1 198 . 13 1 1 A 27 27 HIS CB C 27 31.710 29.660 2.050 1
1 204 . 13 1 1 A 27 27 HIS C C 27 178.259 175.950 2.309 1
1 206 . 13 1 1 A 28 28 LEU N N 28 121.891 119.604 2.287 1
1 207 . 13 1 1 A 28 28 LEU H H 28 7.048 7.402 -0.354 1
1 208 . 13 1 1 A 28 28 LEU CA C 28 57.858 57.969 -0.111 1
1 209 . 13 1 1 A 28 28 LEU HA H 28 3.316 3.776 -0.460 1
1 210 . 13 1 1 A 28 28 LEU CB C 28 40.235 41.781 -1.546 1
1 222 . 13 1 1 A 28 28 LEU C C 28 177.276 178.356 -1.080 1
1 224 . 13 1 1 A 29 29 ILE N N 29 118.247 119.839 -1.592 1
1 225 . 13 1 1 A 29 29 ILE H H 29 7.890 7.807 0.083 1
1 226 . 13 1 1 A 29 29 ILE CA C 29 63.737 65.707 -1.970 1
1 227 . 13 1 1 A 29 29 ILE HA H 29 3.547 3.425 0.122 1
1 228 . 13 1 1 A 29 29 ILE CB C 29 36.186 37.721 -1.535 1
1 240 . 13 1 1 A 29 29 ILE C C 29 178.830 177.509 1.321 1
1 242 . 13 1 1 A 30 30 GLU N N 30 117.991 119.187 -1.196 1
1 243 . 13 1 1 A 30 30 GLU H H 30 7.499 8.186 -0.687 1
1 244 . 13 1 1 A 30 30 GLU CA C 30 59.104 59.669 -0.565 1
1 245 . 13 1 1 A 30 30 GLU HA H 30 3.959 3.860 0.099 1
1 246 . 13 1 1 A 30 30 GLU CB C 30 29.435 29.315 0.120 1
1 250 . 13 1 1 A 30 30 GLU C C 30 178.622 179.045 -0.423 1
1 253 . 13 1 1 A 31 31 HIS N N 31 119.737 120.279 -0.542 1
1 254 . 13 1 1 A 31 31 HIS H H 31 7.541 7.783 -0.242 1
1 255 . 13 1 1 A 31 31 HIS CA C 31 59.599 59.673 -0.074 1
1 256 . 13 1 1 A 31 31 HIS HA H 31 4.113 4.156 -0.043 1
1 257 . 13 1 1 A 31 31 HIS CB C 31 28.503 29.319 -0.816 1
1 263 . 13 1 1 A 31 31 HIS C C 31 177.036 176.966 0.070 1
1 265 . 13 1 1 A 32 32 LEU N N 32 118.963 119.061 -0.098 1
1 266 . 13 1 1 A 32 32 LEU H H 32 8.669 8.446 0.223 1
1 267 . 13 1 1 A 32 32 LEU CA C 32 58.231 57.797 0.434 1
1 268 . 13 1 1 A 32 32 LEU HA H 32 3.868 3.556 0.312 1
1 269 . 13 1 1 A 32 32 LEU CB C 32 41.914 41.162 0.752 1
1 281 . 13 1 1 A 32 32 LEU C C 32 179.605 178.740 0.865 1
1 283 . 13 1 1 A 33 33 LYS N N 33 117.980 117.057 0.923 1
1 284 . 13 1 1 A 33 33 LYS H H 33 7.426 8.002 -0.576 1
1 285 . 13 1 1 A 33 33 LYS CA C 33 59.259 60.317 -1.058 1
1 286 . 13 1 1 A 33 33 LYS HA H 33 3.964 3.883 0.081 1
1 287 . 13 1 1 A 33 33 LYS CB C 33 32.436 32.097 0.339 1
1 295 . 13 1 1 A 33 33 LYS C C 33 178.878 178.927 -0.049 1
1 300 . 13 1 1 A 34 34 ARG N N 34 117.379 119.591 -2.212 1
1 301 . 13 1 1 A 34 34 ARG H H 34 7.659 8.066 -0.407 1
1 302 . 13 1 1 A 34 34 ARG CA C 34 57.923 59.453 -1.530 1
1 303 . 13 1 1 A 34 34 ARG HA H 34 4.030 3.893 0.137 1
1 304 . 13 1 1 A 34 34 ARG CB C 34 29.157 29.799 -0.642 1
1 310 . 13 1 1 A 34 34 ARG C C 34 178.055 178.888 -0.833 1
1 314 . 13 1 1 A 35 35 HIS N N 35 115.913 118.834 -2.921 1
1 315 . 13 1 1 A 35 35 HIS H H 35 7.257 7.389 -0.132 1
1 316 . 13 1 1 A 35 35 HIS CA C 35 56.578 59.136 -2.558 1
1 317 . 13 1 1 A 35 35 HIS HA H 35 4.629 4.236 0.393 1
1 318 . 13 1 1 A 35 35 HIS CB C 35 28.654 30.387 -1.733 1
1 324 . 13 1 1 A 35 35 HIS C C 35 175.953 176.160 -0.207 1
1 326 . 13 1 1 A 36 36 PHE N N 36 119.384 115.620 3.764 1
1 327 . 13 1 1 A 36 36 PHE H H 36 7.760 7.832 -0.072 1
1 328 . 13 1 1 A 36 36 PHE CA C 36 58.890 56.493 2.397 1
1 329 . 13 1 1 A 36 36 PHE HA H 36 4.543 4.621 -0.078 1
1 330 . 13 1 1 A 36 36 PHE CB C 36 39.026 36.924 2.102 1
1 342 . 13 1 1 A 36 36 PHE C C 36 176.549 174.256 2.293 1
1 344 . 13 1 1 A 37 37 ARG N N 37 121.608 117.179 4.429 1
1 345 . 13 1 1 A 37 37 ARG H H 37 8.099 7.738 0.361 1
1 346 . 13 1 1 A 37 37 ARG CA C 37 56.871 54.859 2.012 1
1 347 . 13 1 1 A 37 37 ARG HA H 37 4.231 4.736 -0.505 1
1 348 . 13 1 1 A 37 37 ARG CB C 37 30.858 32.986 -2.128 1
1 354 . 13 1 1 A 37 37 ARG C C 37 176.808 174.867 1.941 1
1 358 . 13 1 1 A 38 38 GLU N N 38 120.749 117.962 2.787 1
1 359 . 13 1 1 A 38 38 GLU H H 38 8.205 8.750 -0.545 1
1 360 . 13 1 1 A 38 38 GLU CA C 38 57.166 57.444 -0.278 1
1 361 . 13 1 1 A 38 38 GLU HA H 38 4.194 3.751 0.443 1
1 362 . 13 1 1 A 38 38 GLU CB C 38 30.047 27.859 2.188 1
1 366 . 13 1 1 A 38 38 GLU C C 38 176.985 176.591 0.394 1
1 369 . 13 1 1 A 39 39 LYS N N 39 121.011 117.219 3.792 1
1 370 . 13 1 1 A 39 39 LYS H H 39 8.130 8.165 -0.035 1
1 371 . 13 1 1 A 39 39 LYS CA C 39 56.734 56.792 -0.058 1
1 372 . 13 1 1 A 39 39 LYS HA H 39 4.315 4.315 0.000 1
1 373 . 13 1 1 A 39 39 LYS CB C 39 32.934 32.093 0.841 1
1 381 . 13 1 1 A 39 39 LYS C C 39 176.838 176.496 0.342 1
1 386 . 13 1 1 A 40 40 SER N N 40 116.295 115.586 0.709 1
1 387 . 13 1 1 A 40 40 SER H H 40 8.203 7.998 0.205 1
1 388 . 13 1 1 A 40 40 SER CA C 40 58.413 57.092 1.321 1
1 389 . 13 1 1 A 40 40 SER HA H 40 4.474 4.748 -0.274 1
1 390 . 13 1 1 A 40 40 SER CB C 40 63.797 63.888 -0.091 1
1 392 . 13 1 1 A 40 40 SER C C 40 174.559 174.642 -0.083 1
1 394 . 13 1 1 A 41 41 SER N N 41 117.522 118.261 -0.739 1
1 395 . 13 1 1 A 41 41 SER H H 41 8.267 8.348 -0.081 1
1 396 . 13 1 1 A 41 41 SER CA C 41 58.400 59.752 -1.352 1
1 397 . 13 1 1 A 41 41 SER HA H 41 4.488 4.548 -0.060 1
1 398 . 13 1 1 A 41 41 SER CB C 41 64.016 64.443 -0.427 1
1 400 . 13 1 1 A 41 41 SER C C 41 174.474 173.852 0.622 1
1 402 . 13 1 1 A 42 42 GLY N N 42 110.551 105.245 5.306 1
1 403 . 13 1 1 A 42 42 GLY H H 42 8.215 7.510 0.705 1
1 404 . 13 1 1 A 42 42 GLY CA C 42 44.645 45.508 -0.863 1
1 405 . 13 1 1 A 42 42 GLY HA3 H 42 4.143 4.061 0.082 1
1 406 . 13 1 1 A 42 42 GLY C C 42 171.741 174.068 -2.327 1
1 407 . 13 1 1 A 42 42 GLY HA2 H 42 4.143 4.060 0.083 1
1 408 . 13 1 1 A 43 43 PRO CA C 43 63.271 63.727 -0.456 1
1 409 . 13 1 1 A 43 43 PRO HA H 43 4.488 4.513 -0.025 1
1 410 . 13 1 1 A 43 43 PRO CB C 43 32.184 31.941 0.243 1
1 416 . 13 1 1 A 43 43 PRO C C 43 177.380 176.600 0.780 1
1 420 . 13 1 1 A 44 44 SER N N 44 116.453 116.404 0.049 1
1 421 . 13 1 1 A 44 44 SER H H 44 8.540 7.691 0.849 1
1 1 . 14 1 1 A 8 8 SER CA C 8 58.454 57.008 1.446 1
1 2 . 14 1 1 A 8 8 SER HA H 8 4.440 4.641 -0.201 1
1 3 . 14 1 1 A 8 8 SER CB C 8 63.904 61.976 1.928 1
1 5 . 14 1 1 A 8 8 SER C C 8 175.126 172.971 2.155 1
1 7 . 14 1 1 A 9 9 GLY N N 9 110.864 113.769 -2.905 1
1 8 . 14 1 1 A 9 9 GLY H H 9 8.493 8.144 0.349 1
1 9 . 14 1 1 A 9 9 GLY CA C 9 45.376 46.061 -0.685 1
1 10 . 14 1 1 A 9 9 GLY C C 9 174.128 173.871 0.257 1
1 11 . 14 1 1 A 9 9 GLY HA2 H 9 3.960 4.141 -0.181 1
1 12 . 14 1 1 A 10 10 GLU N N 10 120.050 120.754 -0.704 1
1 13 . 14 1 1 A 10 10 GLU H H 10 8.255 8.898 -0.643 1
1 14 . 14 1 1 A 10 10 GLU CA C 10 56.893 58.622 -1.729 1
1 15 . 14 1 1 A 10 10 GLU HA H 10 4.236 4.343 -0.107 1
1 16 . 14 1 1 A 10 10 GLU CB C 10 30.417 30.402 0.015 1
1 20 . 14 1 1 A 10 10 GLU C C 10 176.477 177.292 -0.815 1
1 23 . 14 1 1 A 11 11 ARG N N 11 121.287 119.325 1.962 1
1 24 . 14 1 1 A 11 11 ARG H H 11 8.311 7.783 0.528 1
1 25 . 14 1 1 A 11 11 ARG CA C 11 53.586 55.010 -1.424 1
1 26 . 14 1 1 A 11 11 ARG HA H 11 4.588 4.364 0.224 1
1 27 . 14 1 1 A 11 11 ARG CB C 11 30.618 30.467 0.151 1
1 33 . 14 1 1 A 11 11 ARG C C 11 173.631 176.501 -2.870 1
1 37 . 14 1 1 A 12 12 PRO CA C 12 63.542 64.655 -1.113 1
1 38 . 14 1 1 A 12 12 PRO HA H 12 4.349 4.365 -0.016 1
1 39 . 14 1 1 A 12 12 PRO CB C 12 32.216 31.624 0.592 1
1 45 . 14 1 1 A 12 12 PRO C C 12 176.387 175.757 0.630 1
1 49 . 14 1 1 A 13 13 TYR N N 13 119.060 117.942 1.118 1
1 50 . 14 1 1 A 13 13 TYR H H 13 8.102 7.711 0.391 1
1 51 . 14 1 1 A 13 13 TYR CA C 13 56.965 56.898 0.067 1
1 52 . 14 1 1 A 13 13 TYR HA H 13 4.754 4.850 -0.096 1
1 53 . 14 1 1 A 13 13 TYR CB C 13 38.432 38.425 0.007 1
1 63 . 14 1 1 A 13 13 TYR C C 13 175.135 175.761 -0.626 1
1 65 . 14 1 1 A 14 14 GLY N N 14 111.562 111.262 0.300 1
1 66 . 14 1 1 A 14 14 GLY H H 14 8.513 8.772 -0.259 1
1 67 . 14 1 1 A 14 14 GLY CA C 14 45.058 44.663 0.395 1
1 68 . 14 1 1 A 14 14 GLY HA3 H 14 4.932 4.325 0.607 1
1 69 . 14 1 1 A 14 14 GLY C C 14 172.508 171.998 0.510 1
1 70 . 14 1 1 A 14 14 GLY HA2 H 14 3.638 4.309 -0.671 1
1 71 . 14 1 1 A 15 15 CYS N N 15 124.194 120.771 3.423 1
1 72 . 14 1 1 A 15 15 CYS H H 15 9.008 8.368 0.640 1
1 73 . 14 1 1 A 15 15 CYS CA C 15 58.959 57.733 1.226 1
1 74 . 14 1 1 A 15 15 CYS HA H 15 4.695 5.132 -0.437 1
1 75 . 14 1 1 A 15 15 CYS CB C 15 30.119 30.341 -0.222 1
1 77 . 14 1 1 A 15 15 CYS C C 15 177.447 176.496 0.951 1
1 79 . 14 1 1 A 16 16 ASN N N 16 129.997 123.454 6.543 1
1 80 . 14 1 1 A 16 16 ASN H H 16 9.480 8.582 0.898 1
1 81 . 14 1 1 A 16 16 ASN CA C 16 55.267 54.554 0.713 1
1 82 . 14 1 1 A 16 16 ASN HA H 16 4.625 4.685 -0.060 1
1 83 . 14 1 1 A 16 16 ASN CB C 16 38.516 39.366 -0.850 1
1 88 . 14 1 1 A 16 16 ASN C C 16 175.463 177.200 -1.737 1
1 90 . 14 1 1 A 17 17 GLU N N 17 121.690 119.880 1.810 1
1 91 . 14 1 1 A 17 17 GLU H H 17 9.024 8.326 0.698 1
1 92 . 14 1 1 A 17 17 GLU CA C 17 58.253 59.569 -1.316 1
1 93 . 14 1 1 A 17 17 GLU HA H 17 4.239 3.979 0.260 1
1 94 . 14 1 1 A 17 17 GLU CB C 17 29.490 29.321 0.169 1
1 98 . 14 1 1 A 17 17 GLU C C 17 177.355 178.052 -0.697 1
1 101 . 14 1 1 A 18 18 CYS N N 18 115.999 114.724 1.275 1
1 102 . 14 1 1 A 18 18 CYS H H 18 8.351 7.298 1.053 1
1 103 . 14 1 1 A 18 18 CYS CA C 18 58.536 59.584 -1.048 1
1 104 . 14 1 1 A 18 18 CYS HA H 18 5.170 4.598 0.572 1
1 105 . 14 1 1 A 18 18 CYS CB C 18 32.295 29.939 2.356 1
1 107 . 14 1 1 A 18 18 CYS C C 18 176.224 175.388 0.836 1
1 109 . 14 1 1 A 19 19 GLY N N 19 112.718 109.732 2.986 1
1 110 . 14 1 1 A 19 19 GLY H H 19 8.032 8.484 -0.452 1
1 111 . 14 1 1 A 19 19 GLY CA C 19 46.253 46.314 -0.061 1
1 112 . 14 1 1 A 19 19 GLY HA3 H 19 4.228 3.986 0.242 1
1 113 . 14 1 1 A 19 19 GLY C C 19 174.201 174.118 0.083 1
1 114 . 14 1 1 A 19 19 GLY HA2 H 19 3.901 3.985 -0.084 1
1 115 . 14 1 1 A 20 20 LYS N N 20 122.353 119.456 2.897 1
1 116 . 14 1 1 A 20 20 LYS H H 20 7.856 7.729 0.127 1
1 117 . 14 1 1 A 20 20 LYS CA C 20 57.657 54.565 3.092 1
1 118 . 14 1 1 A 20 20 LYS HA H 20 4.043 4.545 -0.502 1
1 119 . 14 1 1 A 20 20 LYS CB C 20 34.015 35.313 -1.298 1
1 127 . 14 1 1 A 20 20 LYS C C 20 173.954 174.731 -0.777 1
1 132 . 14 1 1 A 21 21 ASN N N 21 117.851 122.645 -4.794 1
1 133 . 14 1 1 A 21 21 ASN H H 21 7.905 8.368 -0.463 1
1 134 . 14 1 1 A 21 21 ASN CA C 21 51.903 52.199 -0.296 1
1 135 . 14 1 1 A 21 21 ASN HA H 21 5.337 5.117 0.220 1
1 136 . 14 1 1 A 21 21 ASN CB C 21 41.671 40.346 1.325 1
1 141 . 14 1 1 A 21 21 ASN C C 21 174.118 173.772 0.346 1
1 143 . 14 1 1 A 22 22 PHE N N 22 117.132 118.262 -1.130 1
1 144 . 14 1 1 A 22 22 PHE H H 22 8.604 8.614 -0.010 1
1 145 . 14 1 1 A 22 22 PHE CA C 22 57.519 56.776 0.743 1
1 146 . 14 1 1 A 22 22 PHE HA H 22 4.753 4.844 -0.091 1
1 147 . 14 1 1 A 22 22 PHE CB C 22 43.604 43.440 0.164 1
1 159 . 14 1 1 A 22 22 PHE C C 22 175.478 175.749 -0.271 1
1 161 . 14 1 1 A 23 23 GLY CA C 23 45.805 45.407 0.398 1
1 162 . 14 1 1 A 23 23 GLY HA3 H 23 4.493 4.035 0.458 1
1 163 . 14 1 1 A 23 23 GLY HA2 H 23 4.065 3.960 0.105 1
1 164 . 14 1 1 A 24 24 ARG N N 24 115.504 119.161 -3.657 1
1 165 . 14 1 1 A 24 24 ARG H H 24 7.280 7.601 -0.321 1
1 166 . 14 1 1 A 24 24 ARG CA C 24 53.903 54.290 -0.387 1
1 167 . 14 1 1 A 24 24 ARG HA H 24 4.647 4.799 -0.152 1
1 168 . 14 1 1 A 24 24 ARG CB C 24 33.063 33.272 -0.209 1
1 177 . 14 1 1 A 25 25 HIS N N 25 112.630 124.805 -12.175 1
1 178 . 14 1 1 A 25 25 HIS H H 25 8.702 9.145 -0.443 1
1 179 . 14 1 1 A 25 25 HIS CA C 25 60.282 60.140 0.142 1
1 180 . 14 1 1 A 25 25 HIS HA H 25 3.275 3.090 0.185 1
1 181 . 14 1 1 A 25 25 HIS CB C 25 30.569 30.219 0.350 1
1 188 . 14 1 1 A 26 26 SER CA C 26 61.201 61.389 -0.188 1
1 189 . 14 1 1 A 26 26 SER HA H 26 3.832 3.969 -0.137 1
1 190 . 14 1 1 A 26 26 SER CB C 26 61.402 62.555 -1.153 1
1 192 . 14 1 1 A 26 26 SER C C 26 176.998 176.824 0.174 1
1 194 . 14 1 1 A 27 27 HIS N N 27 120.791 118.534 2.257 1
1 195 . 14 1 1 A 27 27 HIS H H 27 6.716 8.223 -1.507 1
1 196 . 14 1 1 A 27 27 HIS CA C 27 56.885 58.606 -1.721 1
1 197 . 14 1 1 A 27 27 HIS HA H 27 4.438 4.131 0.307 1
1 198 . 14 1 1 A 27 27 HIS CB C 27 31.710 29.614 2.096 1
1 204 . 14 1 1 A 27 27 HIS C C 27 178.259 177.433 0.826 1
1 206 . 14 1 1 A 28 28 LEU N N 28 121.891 119.993 1.898 1
1 207 . 14 1 1 A 28 28 LEU H H 28 7.048 7.804 -0.756 1
1 208 . 14 1 1 A 28 28 LEU CA C 28 57.858 57.802 0.056 1
1 209 . 14 1 1 A 28 28 LEU HA H 28 3.316 3.710 -0.394 1
1 210 . 14 1 1 A 28 28 LEU CB C 28 40.235 41.693 -1.458 1
1 222 . 14 1 1 A 28 28 LEU C C 28 177.276 178.126 -0.850 1
1 224 . 14 1 1 A 29 29 ILE N N 29 118.247 119.841 -1.594 1
1 225 . 14 1 1 A 29 29 ILE H H 29 7.890 7.884 0.006 1
1 226 . 14 1 1 A 29 29 ILE CA C 29 63.737 65.364 -1.627 1
1 227 . 14 1 1 A 29 29 ILE HA H 29 3.547 3.334 0.213 1
1 228 . 14 1 1 A 29 29 ILE CB C 29 36.186 37.730 -1.544 1
1 240 . 14 1 1 A 29 29 ILE C C 29 178.830 178.217 0.613 1
1 242 . 14 1 1 A 30 30 GLU N N 30 117.991 120.913 -2.922 1
1 243 . 14 1 1 A 30 30 GLU H H 30 7.499 8.366 -0.867 1
1 244 . 14 1 1 A 30 30 GLU CA C 30 59.104 59.509 -0.405 1
1 245 . 14 1 1 A 30 30 GLU HA H 30 3.959 3.777 0.182 1
1 246 . 14 1 1 A 30 30 GLU CB C 30 29.435 29.320 0.115 1
1 250 . 14 1 1 A 30 30 GLU C C 30 178.622 178.566 0.056 1
1 253 . 14 1 1 A 31 31 HIS N N 31 119.737 119.537 0.200 1
1 254 . 14 1 1 A 31 31 HIS H H 31 7.541 7.777 -0.236 1
1 255 . 14 1 1 A 31 31 HIS CA C 31 59.599 59.742 -0.143 1
1 256 . 14 1 1 A 31 31 HIS HA H 31 4.113 4.064 0.049 1
1 257 . 14 1 1 A 31 31 HIS CB C 31 28.503 29.690 -1.187 1
1 263 . 14 1 1 A 31 31 HIS C C 31 177.036 176.884 0.152 1
1 265 . 14 1 1 A 32 32 LEU N N 32 118.963 118.862 0.101 1
1 266 . 14 1 1 A 32 32 LEU H H 32 8.669 8.534 0.135 1
1 267 . 14 1 1 A 32 32 LEU CA C 32 58.231 58.033 0.198 1
1 268 . 14 1 1 A 32 32 LEU HA H 32 3.868 3.609 0.259 1
1 269 . 14 1 1 A 32 32 LEU CB C 32 41.914 40.926 0.988 1
1 281 . 14 1 1 A 32 32 LEU C C 32 179.605 178.893 0.712 1
1 283 . 14 1 1 A 33 33 LYS N N 33 117.980 117.210 0.770 1
1 284 . 14 1 1 A 33 33 LYS H H 33 7.426 7.631 -0.205 1
1 285 . 14 1 1 A 33 33 LYS CA C 33 59.259 60.259 -1.000 1
1 286 . 14 1 1 A 33 33 LYS HA H 33 3.964 3.793 0.171 1
1 287 . 14 1 1 A 33 33 LYS CB C 33 32.436 32.057 0.379 1
1 295 . 14 1 1 A 33 33 LYS C C 33 178.878 179.363 -0.485 1
1 300 . 14 1 1 A 34 34 ARG N N 34 117.379 119.408 -2.029 1
1 301 . 14 1 1 A 34 34 ARG H H 34 7.659 7.493 0.166 1
1 302 . 14 1 1 A 34 34 ARG CA C 34 57.923 58.845 -0.922 1
1 303 . 14 1 1 A 34 34 ARG HA H 34 4.030 3.958 0.072 1
1 304 . 14 1 1 A 34 34 ARG CB C 34 29.157 29.707 -0.550 1
1 310 . 14 1 1 A 34 34 ARG C C 34 178.055 177.770 0.285 1
1 314 . 14 1 1 A 35 35 HIS N N 35 115.913 115.855 0.058 1
1 315 . 14 1 1 A 35 35 HIS H H 35 7.257 7.721 -0.464 1
1 316 . 14 1 1 A 35 35 HIS CA C 35 56.578 55.267 1.311 1
1 317 . 14 1 1 A 35 35 HIS HA H 35 4.629 4.601 0.028 1
1 318 . 14 1 1 A 35 35 HIS CB C 35 28.654 28.860 -0.206 1
1 324 . 14 1 1 A 35 35 HIS C C 35 175.953 175.488 0.465 1
1 326 . 14 1 1 A 36 36 PHE N N 36 119.384 119.660 -0.276 1
1 327 . 14 1 1 A 36 36 PHE H H 36 7.760 8.213 -0.453 1
1 328 . 14 1 1 A 36 36 PHE CA C 36 58.890 59.574 -0.684 1
1 329 . 14 1 1 A 36 36 PHE HA H 36 4.543 4.714 -0.171 1
1 330 . 14 1 1 A 36 36 PHE CB C 36 39.026 41.267 -2.241 1
1 342 . 14 1 1 A 36 36 PHE C C 36 176.549 175.390 1.159 1
1 344 . 14 1 1 A 37 37 ARG N N 37 121.608 119.820 1.788 1
1 345 . 14 1 1 A 37 37 ARG H H 37 8.099 7.911 0.188 1
1 346 . 14 1 1 A 37 37 ARG CA C 37 56.871 56.615 0.256 1
1 347 . 14 1 1 A 37 37 ARG HA H 37 4.231 4.135 0.096 1
1 348 . 14 1 1 A 37 37 ARG CB C 37 30.858 30.738 0.120 1
1 354 . 14 1 1 A 37 37 ARG C C 37 176.808 175.420 1.388 1
1 358 . 14 1 1 A 38 38 GLU N N 38 120.749 125.095 -4.346 1
1 359 . 14 1 1 A 38 38 GLU H H 38 8.205 8.817 -0.612 1
1 360 . 14 1 1 A 38 38 GLU CA C 38 57.166 54.900 2.266 1
1 361 . 14 1 1 A 38 38 GLU HA H 38 4.194 4.687 -0.493 1
1 362 . 14 1 1 A 38 38 GLU CB C 38 30.047 30.027 0.020 1
1 366 . 14 1 1 A 38 38 GLU C C 38 176.985 176.932 0.053 1
1 369 . 14 1 1 A 39 39 LYS N N 39 121.011 125.062 -4.051 1
1 370 . 14 1 1 A 39 39 LYS H H 39 8.130 8.583 -0.453 1
1 371 . 14 1 1 A 39 39 LYS CA C 39 56.734 59.216 -2.482 1
1 372 . 14 1 1 A 39 39 LYS HA H 39 4.315 3.990 0.325 1
1 373 . 14 1 1 A 39 39 LYS CB C 39 32.934 32.100 0.834 1
1 381 . 14 1 1 A 39 39 LYS C C 39 176.838 178.667 -1.829 1
1 386 . 14 1 1 A 40 40 SER N N 40 116.295 115.255 1.040 1
1 387 . 14 1 1 A 40 40 SER H H 40 8.203 7.924 0.279 1
1 388 . 14 1 1 A 40 40 SER CA C 40 58.413 61.772 -3.359 1
1 389 . 14 1 1 A 40 40 SER HA H 40 4.474 4.089 0.385 1
1 390 . 14 1 1 A 40 40 SER CB C 40 63.797 62.998 0.799 1
1 392 . 14 1 1 A 40 40 SER C C 40 174.559 177.089 -2.530 1
1 394 . 14 1 1 A 41 41 SER N N 41 117.522 114.680 2.842 1
1 395 . 14 1 1 A 41 41 SER H H 41 8.267 7.925 0.342 1
1 396 . 14 1 1 A 41 41 SER CA C 41 58.400 61.844 -3.444 1
1 397 . 14 1 1 A 41 41 SER HA H 41 4.488 4.179 0.309 1
1 398 . 14 1 1 A 41 41 SER CB C 41 64.016 63.535 0.481 1
1 400 . 14 1 1 A 41 41 SER C C 41 174.474 175.231 -0.757 1
1 402 . 14 1 1 A 42 42 GLY N N 42 110.551 106.468 4.083 1
1 403 . 14 1 1 A 42 42 GLY H H 42 8.215 7.680 0.535 1
1 404 . 14 1 1 A 42 42 GLY CA C 42 44.645 45.390 -0.745 1
1 405 . 14 1 1 A 42 42 GLY HA3 H 42 4.143 4.034 0.109 1
1 406 . 14 1 1 A 42 42 GLY C C 42 171.741 174.478 -2.737 1
1 407 . 14 1 1 A 42 42 GLY HA2 H 42 4.143 4.033 0.110 1
1 408 . 14 1 1 A 43 43 PRO CA C 43 63.271 62.290 0.981 1
1 409 . 14 1 1 A 43 43 PRO HA H 43 4.488 4.673 -0.185 1
1 410 . 14 1 1 A 43 43 PRO CB C 43 32.184 29.552 2.632 1
1 416 . 14 1 1 A 43 43 PRO C C 43 177.380 176.313 1.067 1
1 420 . 14 1 1 A 44 44 SER N N 44 116.453 118.735 -2.282 1
1 421 . 14 1 1 A 44 44 SER H H 44 8.540 8.445 0.095 1
1 1 . 15 1 1 A 8 8 SER CA C 8 58.454 57.663 0.791 1
1 2 . 15 1 1 A 8 8 SER HA H 8 4.440 5.428 -0.988 1
1 3 . 15 1 1 A 8 8 SER CB C 8 63.904 66.557 -2.653 1
1 5 . 15 1 1 A 8 8 SER C C 8 175.126 173.785 1.341 1
1 7 . 15 1 1 A 9 9 GLY N N 9 110.864 109.881 0.983 1
1 8 . 15 1 1 A 9 9 GLY H H 9 8.493 8.375 0.118 1
1 9 . 15 1 1 A 9 9 GLY CA C 9 45.376 45.921 -0.545 1
1 10 . 15 1 1 A 9 9 GLY C C 9 174.128 172.238 1.890 1
1 11 . 15 1 1 A 9 9 GLY HA2 H 9 3.960 4.252 -0.292 1
1 12 . 15 1 1 A 10 10 GLU N N 10 120.050 122.736 -2.686 1
1 13 . 15 1 1 A 10 10 GLU H H 10 8.255 8.445 -0.190 1
1 14 . 15 1 1 A 10 10 GLU CA C 10 56.893 55.729 1.164 1
1 15 . 15 1 1 A 10 10 GLU HA H 10 4.236 4.672 -0.436 1
1 16 . 15 1 1 A 10 10 GLU CB C 10 30.417 29.921 0.496 1
1 20 . 15 1 1 A 10 10 GLU C C 10 176.477 176.597 -0.120 1
1 23 . 15 1 1 A 11 11 ARG N N 11 121.287 119.027 2.260 1
1 24 . 15 1 1 A 11 11 ARG H H 11 8.311 7.871 0.440 1
1 25 . 15 1 1 A 11 11 ARG CA C 11 53.586 54.076 -0.490 1
1 26 . 15 1 1 A 11 11 ARG HA H 11 4.588 4.774 -0.186 1
1 27 . 15 1 1 A 11 11 ARG CB C 11 30.618 30.258 0.360 1
1 33 . 15 1 1 A 11 11 ARG C C 11 173.631 176.164 -2.533 1
1 37 . 15 1 1 A 12 12 PRO CA C 12 63.542 64.299 -0.757 1
1 38 . 15 1 1 A 12 12 PRO HA H 12 4.349 4.560 -0.211 1
1 39 . 15 1 1 A 12 12 PRO CB C 12 32.216 31.793 0.423 1
1 45 . 15 1 1 A 12 12 PRO C C 12 176.387 176.191 0.196 1
1 49 . 15 1 1 A 13 13 TYR N N 13 119.060 117.758 1.302 1
1 50 . 15 1 1 A 13 13 TYR H H 13 8.102 8.323 -0.221 1
1 51 . 15 1 1 A 13 13 TYR CA C 13 56.965 56.492 0.473 1
1 52 . 15 1 1 A 13 13 TYR HA H 13 4.754 4.853 -0.099 1
1 53 . 15 1 1 A 13 13 TYR CB C 13 38.432 36.614 1.818 1
1 63 . 15 1 1 A 13 13 TYR C C 13 175.135 175.947 -0.812 1
1 65 . 15 1 1 A 14 14 GLY N N 14 111.562 108.314 3.248 1
1 66 . 15 1 1 A 14 14 GLY H H 14 8.513 8.199 0.314 1
1 67 . 15 1 1 A 14 14 GLY CA C 14 45.058 46.163 -1.105 1
1 68 . 15 1 1 A 14 14 GLY HA3 H 14 4.932 3.975 0.957 1
1 69 . 15 1 1 A 14 14 GLY C C 14 172.508 173.737 -1.229 1
1 70 . 15 1 1 A 14 14 GLY HA2 H 14 3.638 3.970 -0.332 1
1 71 . 15 1 1 A 15 15 CYS N N 15 124.194 125.192 -0.998 1
1 72 . 15 1 1 A 15 15 CYS H H 15 9.008 8.542 0.466 1
1 73 . 15 1 1 A 15 15 CYS CA C 15 58.959 60.112 -1.153 1
1 74 . 15 1 1 A 15 15 CYS HA H 15 4.695 4.556 0.139 1
1 75 . 15 1 1 A 15 15 CYS CB C 15 30.119 29.301 0.818 1
1 77 . 15 1 1 A 15 15 CYS C C 15 177.447 175.835 1.612 1
1 79 . 15 1 1 A 16 16 ASN N N 16 129.997 126.491 3.506 1
1 80 . 15 1 1 A 16 16 ASN H H 16 9.480 8.936 0.544 1
1 81 . 15 1 1 A 16 16 ASN CA C 16 55.267 56.469 -1.202 1
1 82 . 15 1 1 A 16 16 ASN HA H 16 4.625 4.416 0.209 1
1 83 . 15 1 1 A 16 16 ASN CB C 16 38.516 38.172 0.344 1
1 88 . 15 1 1 A 16 16 ASN C C 16 175.463 177.822 -2.359 1
1 90 . 15 1 1 A 17 17 GLU N N 17 121.690 119.008 2.682 1
1 91 . 15 1 1 A 17 17 GLU H H 17 9.024 8.258 0.766 1
1 92 . 15 1 1 A 17 17 GLU CA C 17 58.253 59.490 -1.237 1
1 93 . 15 1 1 A 17 17 GLU HA H 17 4.239 4.034 0.205 1
1 94 . 15 1 1 A 17 17 GLU CB C 17 29.490 29.339 0.151 1
1 98 . 15 1 1 A 17 17 GLU C C 17 177.355 177.815 -0.460 1
1 101 . 15 1 1 A 18 18 CYS N N 18 115.999 114.516 1.483 1
1 102 . 15 1 1 A 18 18 CYS H H 18 8.351 7.501 0.850 1
1 103 . 15 1 1 A 18 18 CYS CA C 18 58.536 59.603 -1.067 1
1 104 . 15 1 1 A 18 18 CYS HA H 18 5.170 4.640 0.530 1
1 105 . 15 1 1 A 18 18 CYS CB C 18 32.295 30.113 2.182 1
1 107 . 15 1 1 A 18 18 CYS C C 18 176.224 175.496 0.728 1
1 109 . 15 1 1 A 19 19 GLY N N 19 112.718 109.787 2.931 1
1 110 . 15 1 1 A 19 19 GLY H H 19 8.032 8.577 -0.545 1
1 111 . 15 1 1 A 19 19 GLY CA C 19 46.253 46.237 0.016 1
1 112 . 15 1 1 A 19 19 GLY HA3 H 19 4.228 3.999 0.229 1
1 113 . 15 1 1 A 19 19 GLY C C 19 174.201 174.232 -0.031 1
1 114 . 15 1 1 A 19 19 GLY HA2 H 19 3.901 3.991 -0.090 1
1 115 . 15 1 1 A 20 20 LYS N N 20 122.353 119.452 2.901 1
1 116 . 15 1 1 A 20 20 LYS H H 20 7.856 7.363 0.493 1
1 117 . 15 1 1 A 20 20 LYS CA C 20 57.657 54.342 3.315 1
1 118 . 15 1 1 A 20 20 LYS HA H 20 4.043 4.561 -0.518 1
1 119 . 15 1 1 A 20 20 LYS CB C 20 34.015 35.399 -1.384 1
1 127 . 15 1 1 A 20 20 LYS C C 20 173.954 174.838 -0.884 1
1 132 . 15 1 1 A 21 21 ASN N N 21 117.851 122.924 -5.073 1
1 133 . 15 1 1 A 21 21 ASN H H 21 7.905 8.501 -0.596 1
1 134 . 15 1 1 A 21 21 ASN CA C 21 51.903 51.928 -0.025 1
1 135 . 15 1 1 A 21 21 ASN HA H 21 5.337 5.140 0.197 1
1 136 . 15 1 1 A 21 21 ASN CB C 21 41.671 40.533 1.138 1
1 141 . 15 1 1 A 21 21 ASN C C 21 174.118 174.426 -0.308 1
1 143 . 15 1 1 A 22 22 PHE N N 22 117.132 121.797 -4.665 1
1 144 . 15 1 1 A 22 22 PHE H H 22 8.604 8.992 -0.388 1
1 145 . 15 1 1 A 22 22 PHE CA C 22 57.519 59.347 -1.828 1
1 146 . 15 1 1 A 22 22 PHE HA H 22 4.753 4.735 0.018 1
1 147 . 15 1 1 A 22 22 PHE CB C 22 43.604 40.730 2.874 1
1 159 . 15 1 1 A 22 22 PHE C C 22 175.478 176.140 -0.662 1
1 161 . 15 1 1 A 23 23 GLY CA C 23 45.805 45.233 0.572 1
1 162 . 15 1 1 A 23 23 GLY HA3 H 23 4.493 4.097 0.396 1
1 163 . 15 1 1 A 23 23 GLY HA2 H 23 4.065 3.991 0.074 1
1 164 . 15 1 1 A 24 24 ARG N N 24 115.504 120.350 -4.846 1
1 165 . 15 1 1 A 24 24 ARG H H 24 7.280 7.554 -0.274 1
1 166 . 15 1 1 A 24 24 ARG CA C 24 53.903 54.958 -1.055 1
1 167 . 15 1 1 A 24 24 ARG HA H 24 4.647 4.150 0.497 1
1 168 . 15 1 1 A 24 24 ARG CB C 24 33.063 30.854 2.209 1
1 177 . 15 1 1 A 25 25 HIS N N 25 112.630 123.039 -10.409 1
1 178 . 15 1 1 A 25 25 HIS H H 25 8.702 8.910 -0.208 1
1 179 . 15 1 1 A 25 25 HIS CA C 25 60.282 60.550 -0.268 1
1 180 . 15 1 1 A 25 25 HIS HA H 25 3.275 3.974 -0.699 1
1 181 . 15 1 1 A 25 25 HIS CB C 25 30.569 30.430 0.139 1
1 188 . 15 1 1 A 26 26 SER CA C 26 61.201 61.296 -0.095 1
1 189 . 15 1 1 A 26 26 SER HA H 26 3.832 3.954 -0.122 1
1 190 . 15 1 1 A 26 26 SER CB C 26 61.402 62.204 -0.802 1
1 192 . 15 1 1 A 26 26 SER C C 26 176.998 176.919 0.079 1
1 194 . 15 1 1 A 27 27 HIS N N 27 120.791 118.510 2.281 1
1 195 . 15 1 1 A 27 27 HIS H H 27 6.716 8.259 -1.543 1
1 196 . 15 1 1 A 27 27 HIS CA C 27 56.885 59.130 -2.245 1
1 197 . 15 1 1 A 27 27 HIS HA H 27 4.438 4.126 0.312 1
1 198 . 15 1 1 A 27 27 HIS CB C 27 31.710 29.947 1.763 1
1 204 . 15 1 1 A 27 27 HIS C C 27 178.259 177.096 1.163 1
1 206 . 15 1 1 A 28 28 LEU N N 28 121.891 120.106 1.785 1
1 207 . 15 1 1 A 28 28 LEU H H 28 7.048 7.612 -0.564 1
1 208 . 15 1 1 A 28 28 LEU CA C 28 57.858 58.065 -0.207 1
1 209 . 15 1 1 A 28 28 LEU HA H 28 3.316 3.252 0.064 1
1 210 . 15 1 1 A 28 28 LEU CB C 28 40.235 41.868 -1.633 1
1 222 . 15 1 1 A 28 28 LEU C C 28 177.276 178.478 -1.202 1
1 224 . 15 1 1 A 29 29 ILE N N 29 118.247 119.789 -1.542 1
1 225 . 15 1 1 A 29 29 ILE H H 29 7.890 7.893 -0.003 1
1 226 . 15 1 1 A 29 29 ILE CA C 29 63.737 65.510 -1.773 1
1 227 . 15 1 1 A 29 29 ILE HA H 29 3.547 3.468 0.079 1
1 228 . 15 1 1 A 29 29 ILE CB C 29 36.186 37.670 -1.484 1
1 240 . 15 1 1 A 29 29 ILE C C 29 178.830 177.461 1.369 1
1 242 . 15 1 1 A 30 30 GLU N N 30 117.991 119.256 -1.265 1
1 243 . 15 1 1 A 30 30 GLU H H 30 7.499 8.435 -0.936 1
1 244 . 15 1 1 A 30 30 GLU CA C 30 59.104 59.550 -0.446 1
1 245 . 15 1 1 A 30 30 GLU HA H 30 3.959 3.875 0.084 1
1 246 . 15 1 1 A 30 30 GLU CB C 30 29.435 29.386 0.049 1
1 250 . 15 1 1 A 30 30 GLU C C 30 178.622 179.010 -0.388 1
1 253 . 15 1 1 A 31 31 HIS N N 31 119.737 120.272 -0.535 1
1 254 . 15 1 1 A 31 31 HIS H H 31 7.541 7.484 0.057 1
1 255 . 15 1 1 A 31 31 HIS CA C 31 59.599 59.699 -0.100 1
1 256 . 15 1 1 A 31 31 HIS HA H 31 4.113 4.086 0.027 1
1 257 . 15 1 1 A 31 31 HIS CB C 31 28.503 29.689 -1.186 1
1 263 . 15 1 1 A 31 31 HIS C C 31 177.036 176.713 0.323 1
1 265 . 15 1 1 A 32 32 LEU N N 32 118.963 119.218 -0.255 1
1 266 . 15 1 1 A 32 32 LEU H H 32 8.669 8.661 0.008 1
1 267 . 15 1 1 A 32 32 LEU CA C 32 58.231 57.909 0.322 1
1 268 . 15 1 1 A 32 32 LEU HA H 32 3.868 3.468 0.400 1
1 269 . 15 1 1 A 32 32 LEU CB C 32 41.914 41.573 0.341 1
1 281 . 15 1 1 A 32 32 LEU C C 32 179.605 179.105 0.500 1
1 283 . 15 1 1 A 33 33 LYS N N 33 117.980 118.534 -0.554 1
1 284 . 15 1 1 A 33 33 LYS H H 33 7.426 7.754 -0.328 1
1 285 . 15 1 1 A 33 33 LYS CA C 33 59.259 60.315 -1.056 1
1 286 . 15 1 1 A 33 33 LYS HA H 33 3.964 3.845 0.119 1
1 287 . 15 1 1 A 33 33 LYS CB C 33 32.436 32.168 0.268 1
1 295 . 15 1 1 A 33 33 LYS C C 33 178.878 179.067 -0.189 1
1 300 . 15 1 1 A 34 34 ARG N N 34 117.379 117.751 -0.372 1
1 301 . 15 1 1 A 34 34 ARG H H 34 7.659 8.032 -0.373 1
1 302 . 15 1 1 A 34 34 ARG CA C 34 57.923 58.687 -0.764 1
1 303 . 15 1 1 A 34 34 ARG HA H 34 4.030 4.050 -0.020 1
1 304 . 15 1 1 A 34 34 ARG CB C 34 29.157 29.704 -0.547 1
1 310 . 15 1 1 A 34 34 ARG C C 34 178.055 178.390 -0.335 1
1 314 . 15 1 1 A 35 35 HIS N N 35 115.913 118.817 -2.904 1
1 315 . 15 1 1 A 35 35 HIS H H 35 7.257 7.708 -0.451 1
1 316 . 15 1 1 A 35 35 HIS CA C 35 56.578 58.660 -2.082 1
1 317 . 15 1 1 A 35 35 HIS HA H 35 4.629 4.257 0.372 1
1 318 . 15 1 1 A 35 35 HIS CB C 35 28.654 29.732 -1.078 1
1 324 . 15 1 1 A 35 35 HIS C C 35 175.953 178.322 -2.369 1
1 326 . 15 1 1 A 36 36 PHE N N 36 119.384 120.213 -0.829 1
1 327 . 15 1 1 A 36 36 PHE H H 36 7.760 8.669 -0.909 1
1 328 . 15 1 1 A 36 36 PHE CA C 36 58.890 60.802 -1.912 1
1 329 . 15 1 1 A 36 36 PHE HA H 36 4.543 4.028 0.515 1
1 330 . 15 1 1 A 36 36 PHE CB C 36 39.026 39.111 -0.085 1
1 342 . 15 1 1 A 36 36 PHE C C 36 176.549 175.196 1.353 1
1 344 . 15 1 1 A 37 37 ARG N N 37 121.608 116.958 4.650 1
1 345 . 15 1 1 A 37 37 ARG H H 37 8.099 7.667 0.432 1
1 346 . 15 1 1 A 37 37 ARG CA C 37 56.871 56.584 0.287 1
1 347 . 15 1 1 A 37 37 ARG HA H 37 4.231 4.381 -0.150 1
1 348 . 15 1 1 A 37 37 ARG CB C 37 30.858 30.830 0.028 1
1 354 . 15 1 1 A 37 37 ARG C C 37 176.808 175.905 0.903 1
1 358 . 15 1 1 A 38 38 GLU N N 38 120.749 116.610 4.139 1
1 359 . 15 1 1 A 38 38 GLU H H 38 8.205 9.120 -0.915 1
1 360 . 15 1 1 A 38 38 GLU CA C 38 57.166 57.763 -0.597 1
1 361 . 15 1 1 A 38 38 GLU HA H 38 4.194 4.033 0.161 1
1 362 . 15 1 1 A 38 38 GLU CB C 38 30.047 28.063 1.984 1
1 366 . 15 1 1 A 38 38 GLU C C 38 176.985 175.723 1.262 1
1 369 . 15 1 1 A 39 39 LYS N N 39 121.011 110.864 10.147 1
1 370 . 15 1 1 A 39 39 LYS H H 39 8.130 8.349 -0.219 1
1 371 . 15 1 1 A 39 39 LYS CA C 39 56.734 57.173 -0.439 1
1 372 . 15 1 1 A 39 39 LYS HA H 39 4.315 3.676 0.639 1
1 373 . 15 1 1 A 39 39 LYS CB C 39 32.934 30.036 2.898 1
1 381 . 15 1 1 A 39 39 LYS C C 39 176.838 175.424 1.414 1
1 386 . 15 1 1 A 40 40 SER N N 40 116.295 113.564 2.731 1
1 387 . 15 1 1 A 40 40 SER H H 40 8.203 7.637 0.566 1
1 388 . 15 1 1 A 40 40 SER CA C 40 58.413 58.331 0.082 1
1 389 . 15 1 1 A 40 40 SER HA H 40 4.474 4.234 0.240 1
1 390 . 15 1 1 A 40 40 SER CB C 40 63.797 64.287 -0.490 1
1 392 . 15 1 1 A 40 40 SER C C 40 174.559 175.400 -0.841 1
1 394 . 15 1 1 A 41 41 SER N N 41 117.522 120.734 -3.212 1
1 395 . 15 1 1 A 41 41 SER H H 41 8.267 8.964 -0.697 1
1 396 . 15 1 1 A 41 41 SER CA C 41 58.400 61.292 -2.892 1
1 397 . 15 1 1 A 41 41 SER HA H 41 4.488 3.963 0.525 1
1 398 . 15 1 1 A 41 41 SER CB C 41 64.016 63.099 0.917 1
1 400 . 15 1 1 A 41 41 SER C C 41 174.474 174.671 -0.197 1
1 402 . 15 1 1 A 42 42 GLY N N 42 110.551 107.902 2.649 1
1 403 . 15 1 1 A 42 42 GLY H H 42 8.215 7.841 0.374 1
1 404 . 15 1 1 A 42 42 GLY CA C 42 44.645 46.898 -2.253 1
1 405 . 15 1 1 A 42 42 GLY HA3 H 42 4.143 3.909 0.234 1
1 406 . 15 1 1 A 42 42 GLY C C 42 171.741 175.533 -3.792 1
1 407 . 15 1 1 A 42 42 GLY HA2 H 42 4.143 3.772 0.371 1
1 408 . 15 1 1 A 43 43 PRO CA C 43 63.271 64.063 -0.792 1
1 409 . 15 1 1 A 43 43 PRO HA H 43 4.488 4.532 -0.044 1
1 410 . 15 1 1 A 43 43 PRO CB C 43 32.184 31.955 0.229 1
1 416 . 15 1 1 A 43 43 PRO C C 43 177.380 176.370 1.010 1
1 420 . 15 1 1 A 44 44 SER N N 44 116.453 114.634 1.819 1
1 421 . 15 1 1 A 44 44 SER H H 44 8.540 8.443 0.097 1
1 1 . 16 1 1 A 8 8 SER CA C 8 58.454 56.815 1.639 1
1 2 . 16 1 1 A 8 8 SER HA H 8 4.440 5.023 -0.583 1
1 3 . 16 1 1 A 8 8 SER CB C 8 63.904 66.548 -2.644 1
1 5 . 16 1 1 A 8 8 SER C C 8 175.126 173.715 1.411 1
1 7 . 16 1 1 A 9 9 GLY N N 9 110.864 110.134 0.730 1
1 8 . 16 1 1 A 9 9 GLY H H 9 8.493 8.497 -0.004 1
1 9 . 16 1 1 A 9 9 GLY CA C 9 45.376 46.033 -0.657 1
1 10 . 16 1 1 A 9 9 GLY C C 9 174.128 173.939 0.189 1
1 11 . 16 1 1 A 9 9 GLY HA2 H 9 3.960 4.033 -0.073 1
1 12 . 16 1 1 A 10 10 GLU N N 10 120.050 119.876 0.174 1
1 13 . 16 1 1 A 10 10 GLU H H 10 8.255 8.206 0.049 1
1 14 . 16 1 1 A 10 10 GLU CA C 10 56.893 55.487 1.406 1
1 15 . 16 1 1 A 10 10 GLU HA H 10 4.236 4.781 -0.545 1
1 16 . 16 1 1 A 10 10 GLU CB C 10 30.417 31.774 -1.357 1
1 20 . 16 1 1 A 10 10 GLU C C 10 176.477 174.716 1.761 1
1 23 . 16 1 1 A 11 11 ARG N N 11 121.287 125.825 -4.538 1
1 24 . 16 1 1 A 11 11 ARG H H 11 8.311 8.346 -0.035 1
1 25 . 16 1 1 A 11 11 ARG CA C 11 53.586 53.702 -0.116 1
1 26 . 16 1 1 A 11 11 ARG HA H 11 4.588 4.833 -0.245 1
1 27 . 16 1 1 A 11 11 ARG CB C 11 30.618 31.859 -1.241 1
1 33 . 16 1 1 A 11 11 ARG C C 11 173.631 175.807 -2.176 1
1 37 . 16 1 1 A 12 12 PRO CA C 12 63.542 64.623 -1.081 1
1 38 . 16 1 1 A 12 12 PRO HA H 12 4.349 4.231 0.118 1
1 39 . 16 1 1 A 12 12 PRO CB C 12 32.216 31.497 0.719 1
1 45 . 16 1 1 A 12 12 PRO C C 12 176.387 175.884 0.503 1
1 49 . 16 1 1 A 13 13 TYR N N 13 119.060 117.833 1.227 1
1 50 . 16 1 1 A 13 13 TYR H H 13 8.102 7.593 0.509 1
1 51 . 16 1 1 A 13 13 TYR CA C 13 56.965 56.500 0.465 1
1 52 . 16 1 1 A 13 13 TYR HA H 13 4.754 5.197 -0.443 1
1 53 . 16 1 1 A 13 13 TYR CB C 13 38.432 41.498 -3.066 1
1 63 . 16 1 1 A 13 13 TYR C C 13 175.135 175.314 -0.179 1
1 65 . 16 1 1 A 14 14 GLY N N 14 111.562 110.671 0.891 1
1 66 . 16 1 1 A 14 14 GLY H H 14 8.513 8.989 -0.476 1
1 67 . 16 1 1 A 14 14 GLY CA C 14 45.058 45.079 -0.021 1
1 68 . 16 1 1 A 14 14 GLY HA3 H 14 4.932 4.288 0.644 1
1 69 . 16 1 1 A 14 14 GLY C C 14 172.508 172.991 -0.483 1
1 70 . 16 1 1 A 14 14 GLY HA2 H 14 3.638 4.283 -0.645 1
1 71 . 16 1 1 A 15 15 CYS N N 15 124.194 125.002 -0.808 1
1 72 . 16 1 1 A 15 15 CYS H H 15 9.008 8.794 0.214 1
1 73 . 16 1 1 A 15 15 CYS CA C 15 58.959 59.943 -0.984 1
1 74 . 16 1 1 A 15 15 CYS HA H 15 4.695 4.617 0.078 1
1 75 . 16 1 1 A 15 15 CYS CB C 15 30.119 28.465 1.654 1
1 77 . 16 1 1 A 15 15 CYS C C 15 177.447 175.313 2.134 1
1 79 . 16 1 1 A 16 16 ASN N N 16 129.997 125.768 4.229 1
1 80 . 16 1 1 A 16 16 ASN H H 16 9.480 8.700 0.780 1
1 81 . 16 1 1 A 16 16 ASN CA C 16 55.267 54.245 1.022 1
1 82 . 16 1 1 A 16 16 ASN HA H 16 4.625 4.802 -0.177 1
1 83 . 16 1 1 A 16 16 ASN CB C 16 38.516 38.624 -0.108 1
1 88 . 16 1 1 A 16 16 ASN C C 16 175.463 176.218 -0.755 1
1 90 . 16 1 1 A 17 17 GLU N N 17 121.690 119.667 2.023 1
1 91 . 16 1 1 A 17 17 GLU H H 17 9.024 8.062 0.962 1
1 92 . 16 1 1 A 17 17 GLU CA C 17 58.253 58.898 -0.645 1
1 93 . 16 1 1 A 17 17 GLU HA H 17 4.239 4.174 0.065 1
1 94 . 16 1 1 A 17 17 GLU CB C 17 29.490 30.115 -0.625 1
1 98 . 16 1 1 A 17 17 GLU C C 17 177.355 178.380 -1.025 1
1 101 . 16 1 1 A 18 18 CYS N N 18 115.999 115.483 0.516 1
1 102 . 16 1 1 A 18 18 CYS H H 18 8.351 7.392 0.959 1
1 103 . 16 1 1 A 18 18 CYS CA C 18 58.536 59.651 -1.115 1
1 104 . 16 1 1 A 18 18 CYS HA H 18 5.170 4.528 0.642 1
1 105 . 16 1 1 A 18 18 CYS CB C 18 32.295 29.353 2.942 1
1 107 . 16 1 1 A 18 18 CYS C C 18 176.224 175.208 1.016 1
1 109 . 16 1 1 A 19 19 GLY N N 19 112.718 109.667 3.051 1
1 110 . 16 1 1 A 19 19 GLY H H 19 8.032 8.312 -0.280 1
1 111 . 16 1 1 A 19 19 GLY CA C 19 46.253 46.208 0.045 1
1 112 . 16 1 1 A 19 19 GLY HA3 H 19 4.228 4.025 0.203 1
1 113 . 16 1 1 A 19 19 GLY C C 19 174.201 173.942 0.259 1
1 114 . 16 1 1 A 19 19 GLY HA2 H 19 3.901 4.025 -0.124 1
1 115 . 16 1 1 A 20 20 LYS N N 20 122.353 119.588 2.765 1
1 116 . 16 1 1 A 20 20 LYS H H 20 7.856 7.432 0.424 1
1 117 . 16 1 1 A 20 20 LYS CA C 20 57.657 54.517 3.140 1
1 118 . 16 1 1 A 20 20 LYS HA H 20 4.043 4.622 -0.579 1
1 119 . 16 1 1 A 20 20 LYS CB C 20 34.015 35.375 -1.360 1
1 127 . 16 1 1 A 20 20 LYS C C 20 173.954 175.377 -1.423 1
1 132 . 16 1 1 A 21 21 ASN N N 21 117.851 122.884 -5.033 1
1 133 . 16 1 1 A 21 21 ASN H H 21 7.905 8.777 -0.872 1
1 134 . 16 1 1 A 21 21 ASN CA C 21 51.903 51.294 0.609 1
1 135 . 16 1 1 A 21 21 ASN HA H 21 5.337 5.118 0.219 1
1 136 . 16 1 1 A 21 21 ASN CB C 21 41.671 40.244 1.427 1
1 141 . 16 1 1 A 21 21 ASN C C 21 174.118 173.833 0.285 1
1 143 . 16 1 1 A 22 22 PHE N N 22 117.132 116.404 0.728 1
1 144 . 16 1 1 A 22 22 PHE H H 22 8.604 8.620 -0.016 1
1 145 . 16 1 1 A 22 22 PHE CA C 22 57.519 56.799 0.720 1
1 146 . 16 1 1 A 22 22 PHE HA H 22 4.753 5.018 -0.265 1
1 147 . 16 1 1 A 22 22 PHE CB C 22 43.604 43.824 -0.220 1
1 159 . 16 1 1 A 22 22 PHE C C 22 175.478 175.658 -0.180 1
1 161 . 16 1 1 A 23 23 GLY CA C 23 45.805 45.829 -0.024 1
1 162 . 16 1 1 A 23 23 GLY HA3 H 23 4.493 4.171 0.322 1
1 163 . 16 1 1 A 23 23 GLY HA2 H 23 4.065 4.086 -0.021 1
1 164 . 16 1 1 A 24 24 ARG N N 24 115.504 120.031 -4.527 1
1 165 . 16 1 1 A 24 24 ARG H H 24 7.280 7.539 -0.259 1
1 166 . 16 1 1 A 24 24 ARG CA C 24 53.903 54.103 -0.200 1
1 167 . 16 1 1 A 24 24 ARG HA H 24 4.647 4.895 -0.248 1
1 168 . 16 1 1 A 24 24 ARG CB C 24 33.063 32.838 0.225 1
1 177 . 16 1 1 A 25 25 HIS N N 25 112.630 123.220 -10.590 1
1 178 . 16 1 1 A 25 25 HIS H H 25 8.702 8.675 0.027 1
1 179 . 16 1 1 A 25 25 HIS CA C 25 60.282 60.138 0.144 1
1 180 . 16 1 1 A 25 25 HIS HA H 25 3.275 2.819 0.456 1
1 181 . 16 1 1 A 25 25 HIS CB C 25 30.569 30.290 0.279 1
1 188 . 16 1 1 A 26 26 SER CA C 26 61.201 61.276 -0.075 1
1 189 . 16 1 1 A 26 26 SER HA H 26 3.832 3.863 -0.031 1
1 190 . 16 1 1 A 26 26 SER CB C 26 61.402 62.046 -0.644 1
1 192 . 16 1 1 A 26 26 SER C C 26 176.998 177.098 -0.100 1
1 194 . 16 1 1 A 27 27 HIS N N 27 120.791 118.585 2.206 1
1 195 . 16 1 1 A 27 27 HIS H H 27 6.716 7.960 -1.244 1
1 196 . 16 1 1 A 27 27 HIS CA C 27 56.885 58.518 -1.633 1
1 197 . 16 1 1 A 27 27 HIS HA H 27 4.438 4.009 0.429 1
1 198 . 16 1 1 A 27 27 HIS CB C 27 31.710 29.323 2.387 1
1 204 . 16 1 1 A 27 27 HIS C C 27 178.259 177.090 1.169 1
1 206 . 16 1 1 A 28 28 LEU N N 28 121.891 119.800 2.091 1
1 207 . 16 1 1 A 28 28 LEU H H 28 7.048 7.184 -0.136 1
1 208 . 16 1 1 A 28 28 LEU CA C 28 57.858 57.637 0.221 1
1 209 . 16 1 1 A 28 28 LEU HA H 28 3.316 3.606 -0.290 1
1 210 . 16 1 1 A 28 28 LEU CB C 28 40.235 41.817 -1.582 1
1 222 . 16 1 1 A 28 28 LEU C C 28 177.276 178.338 -1.062 1
1 224 . 16 1 1 A 29 29 ILE N N 29 118.247 119.864 -1.617 1
1 225 . 16 1 1 A 29 29 ILE H H 29 7.890 7.819 0.071 1
1 226 . 16 1 1 A 29 29 ILE CA C 29 63.737 65.700 -1.963 1
1 227 . 16 1 1 A 29 29 ILE HA H 29 3.547 3.397 0.150 1
1 228 . 16 1 1 A 29 29 ILE CB C 29 36.186 37.653 -1.467 1
1 240 . 16 1 1 A 29 29 ILE C C 29 178.830 178.011 0.819 1
1 242 . 16 1 1 A 30 30 GLU N N 30 117.991 120.386 -2.395 1
1 243 . 16 1 1 A 30 30 GLU H H 30 7.499 8.576 -1.077 1
1 244 . 16 1 1 A 30 30 GLU CA C 30 59.104 59.549 -0.445 1
1 245 . 16 1 1 A 30 30 GLU HA H 30 3.959 3.760 0.199 1
1 246 . 16 1 1 A 30 30 GLU CB C 30 29.435 29.365 0.070 1
1 250 . 16 1 1 A 30 30 GLU C C 30 178.622 178.451 0.171 1
1 253 . 16 1 1 A 31 31 HIS N N 31 119.737 119.679 0.058 1
1 254 . 16 1 1 A 31 31 HIS H H 31 7.541 7.621 -0.080 1
1 255 . 16 1 1 A 31 31 HIS CA C 31 59.599 59.707 -0.108 1
1 256 . 16 1 1 A 31 31 HIS HA H 31 4.113 4.143 -0.030 1
1 257 . 16 1 1 A 31 31 HIS CB C 31 28.503 30.014 -1.511 1
1 263 . 16 1 1 A 31 31 HIS C C 31 177.036 176.819 0.217 1
1 265 . 16 1 1 A 32 32 LEU N N 32 118.963 118.657 0.306 1
1 266 . 16 1 1 A 32 32 LEU H H 32 8.669 8.653 0.016 1
1 267 . 16 1 1 A 32 32 LEU CA C 32 58.231 57.746 0.485 1
1 268 . 16 1 1 A 32 32 LEU HA H 32 3.868 3.660 0.208 1
1 269 . 16 1 1 A 32 32 LEU CB C 32 41.914 41.343 0.571 1
1 281 . 16 1 1 A 32 32 LEU C C 32 179.605 179.042 0.563 1
1 283 . 16 1 1 A 33 33 LYS N N 33 117.980 118.520 -0.540 1
1 284 . 16 1 1 A 33 33 LYS H H 33 7.426 7.783 -0.357 1
1 285 . 16 1 1 A 33 33 LYS CA C 33 59.259 60.347 -1.088 1
1 286 . 16 1 1 A 33 33 LYS HA H 33 3.964 3.857 0.107 1
1 287 . 16 1 1 A 33 33 LYS CB C 33 32.436 32.034 0.402 1
1 295 . 16 1 1 A 33 33 LYS C C 33 178.878 179.341 -0.463 1
1 300 . 16 1 1 A 34 34 ARG N N 34 117.379 119.300 -1.921 1
1 301 . 16 1 1 A 34 34 ARG H H 34 7.659 7.576 0.083 1
1 302 . 16 1 1 A 34 34 ARG CA C 34 57.923 59.638 -1.715 1
1 303 . 16 1 1 A 34 34 ARG HA H 34 4.030 3.877 0.153 1
1 304 . 16 1 1 A 34 34 ARG CB C 34 29.157 29.742 -0.585 1
1 310 . 16 1 1 A 34 34 ARG C C 34 178.055 178.945 -0.890 1
1 314 . 16 1 1 A 35 35 HIS N N 35 115.913 118.741 -2.828 1
1 315 . 16 1 1 A 35 35 HIS H H 35 7.257 7.544 -0.287 1
1 316 . 16 1 1 A 35 35 HIS CA C 35 56.578 59.272 -2.694 1
1 317 . 16 1 1 A 35 35 HIS HA H 35 4.629 4.288 0.341 1
1 318 . 16 1 1 A 35 35 HIS CB C 35 28.654 30.047 -1.393 1
1 324 . 16 1 1 A 35 35 HIS C C 35 175.953 177.785 -1.832 1
1 326 . 16 1 1 A 36 36 PHE N N 36 119.384 119.513 -0.129 1
1 327 . 16 1 1 A 36 36 PHE H H 36 7.760 8.258 -0.498 1
1 328 . 16 1 1 A 36 36 PHE CA C 36 58.890 62.199 -3.309 1
1 329 . 16 1 1 A 36 36 PHE HA H 36 4.543 4.019 0.524 1
1 330 . 16 1 1 A 36 36 PHE CB C 36 39.026 39.090 -0.064 1
1 342 . 16 1 1 A 36 36 PHE C C 36 176.549 177.104 -0.555 1
1 344 . 16 1 1 A 37 37 ARG N N 37 121.608 119.036 2.572 1
1 345 . 16 1 1 A 37 37 ARG H H 37 8.099 8.155 -0.056 1
1 346 . 16 1 1 A 37 37 ARG CA C 37 56.871 59.561 -2.690 1
1 347 . 16 1 1 A 37 37 ARG HA H 37 4.231 4.121 0.110 1
1 348 . 16 1 1 A 37 37 ARG CB C 37 30.858 30.239 0.619 1
1 354 . 16 1 1 A 37 37 ARG C C 37 176.808 177.329 -0.521 1
1 358 . 16 1 1 A 38 38 GLU N N 38 120.749 119.624 1.125 1
1 359 . 16 1 1 A 38 38 GLU H H 38 8.205 7.285 0.920 1
1 360 . 16 1 1 A 38 38 GLU CA C 38 57.166 56.660 0.506 1
1 361 . 16 1 1 A 38 38 GLU HA H 38 4.194 4.144 0.050 1
1 362 . 16 1 1 A 38 38 GLU CB C 38 30.047 30.325 -0.278 1
1 366 . 16 1 1 A 38 38 GLU C C 38 176.985 176.520 0.465 1
1 369 . 16 1 1 A 39 39 LYS N N 39 121.011 124.968 -3.957 1
1 370 . 16 1 1 A 39 39 LYS H H 39 8.130 8.647 -0.517 1
1 371 . 16 1 1 A 39 39 LYS CA C 39 56.734 56.601 0.133 1
1 372 . 16 1 1 A 39 39 LYS HA H 39 4.315 4.467 -0.152 1
1 373 . 16 1 1 A 39 39 LYS CB C 39 32.934 33.476 -0.542 1
1 381 . 16 1 1 A 39 39 LYS C C 39 176.838 175.509 1.329 1
1 386 . 16 1 1 A 40 40 SER N N 40 116.295 118.616 -2.321 1
1 387 . 16 1 1 A 40 40 SER H H 40 8.203 8.781 -0.578 1
1 388 . 16 1 1 A 40 40 SER CA C 40 58.413 56.627 1.786 1
1 389 . 16 1 1 A 40 40 SER HA H 40 4.474 4.876 -0.402 1
1 390 . 16 1 1 A 40 40 SER CB C 40 63.797 64.644 -0.847 1
1 392 . 16 1 1 A 40 40 SER C C 40 174.559 173.172 1.387 1
1 394 . 16 1 1 A 41 41 SER N N 41 117.522 124.575 -7.053 1
1 395 . 16 1 1 A 41 41 SER H H 41 8.267 8.733 -0.466 1
1 396 . 16 1 1 A 41 41 SER CA C 41 58.400 60.104 -1.704 1
1 397 . 16 1 1 A 41 41 SER HA H 41 4.488 4.355 0.133 1
1 398 . 16 1 1 A 41 41 SER CB C 41 64.016 62.512 1.504 1
1 400 . 16 1 1 A 41 41 SER C C 41 174.474 175.211 -0.737 1
1 402 . 16 1 1 A 42 42 GLY N N 42 110.551 113.718 -3.167 1
1 403 . 16 1 1 A 42 42 GLY H H 42 8.215 8.802 -0.587 1
1 404 . 16 1 1 A 42 42 GLY CA C 42 44.645 45.792 -1.147 1
1 405 . 16 1 1 A 42 42 GLY HA3 H 42 4.143 4.091 0.052 1
1 406 . 16 1 1 A 42 42 GLY C C 42 171.741 174.345 -2.604 1
1 407 . 16 1 1 A 42 42 GLY HA2 H 42 4.143 4.090 0.053 1
1 408 . 16 1 1 A 43 43 PRO CA C 43 63.271 62.563 0.708 1
1 409 . 16 1 1 A 43 43 PRO HA H 43 4.488 4.629 -0.141 1
1 410 . 16 1 1 A 43 43 PRO CB C 43 32.184 33.251 -1.067 1
1 416 . 16 1 1 A 43 43 PRO C C 43 177.380 175.562 1.818 1
1 420 . 16 1 1 A 44 44 SER N N 44 116.453 117.154 -0.701 1
1 421 . 16 1 1 A 44 44 SER H H 44 8.540 8.418 0.122 1
1 1 . 17 1 1 A 8 8 SER CA C 8 58.454 57.681 0.773 1
1 2 . 17 1 1 A 8 8 SER HA H 8 4.440 5.135 -0.695 1
1 3 . 17 1 1 A 8 8 SER CB C 8 63.904 65.936 -2.032 1
1 5 . 17 1 1 A 8 8 SER C C 8 175.126 173.200 1.926 1
1 7 . 17 1 1 A 9 9 GLY N N 9 110.864 110.319 0.545 1
1 8 . 17 1 1 A 9 9 GLY H H 9 8.493 8.432 0.061 1
1 9 . 17 1 1 A 9 9 GLY CA C 9 45.376 45.587 -0.211 1
1 10 . 17 1 1 A 9 9 GLY C C 9 174.128 171.493 2.635 1
1 11 . 17 1 1 A 9 9 GLY HA2 H 9 3.960 4.209 -0.249 1
1 12 . 17 1 1 A 10 10 GLU N N 10 120.050 120.901 -0.851 1
1 13 . 17 1 1 A 10 10 GLU H H 10 8.255 8.435 -0.180 1
1 14 . 17 1 1 A 10 10 GLU CA C 10 56.893 54.325 2.568 1
1 15 . 17 1 1 A 10 10 GLU HA H 10 4.236 5.167 -0.931 1
1 16 . 17 1 1 A 10 10 GLU CB C 10 30.417 33.911 -3.494 1
1 20 . 17 1 1 A 10 10 GLU C C 10 176.477 175.984 0.493 1
1 23 . 17 1 1 A 11 11 ARG N N 11 121.287 121.075 0.212 1
1 24 . 17 1 1 A 11 11 ARG H H 11 8.311 8.506 -0.195 1
1 25 . 17 1 1 A 11 11 ARG CA C 11 53.586 55.067 -1.481 1
1 26 . 17 1 1 A 11 11 ARG HA H 11 4.588 4.372 0.216 1
1 27 . 17 1 1 A 11 11 ARG CB C 11 30.618 30.093 0.525 1
1 33 . 17 1 1 A 11 11 ARG C C 11 173.631 176.131 -2.500 1
1 37 . 17 1 1 A 12 12 PRO CA C 12 63.542 64.160 -0.618 1
1 38 . 17 1 1 A 12 12 PRO HA H 12 4.349 4.487 -0.138 1
1 39 . 17 1 1 A 12 12 PRO CB C 12 32.216 31.504 0.712 1
1 45 . 17 1 1 A 12 12 PRO C C 12 176.387 175.943 0.444 1
1 49 . 17 1 1 A 13 13 TYR N N 13 119.060 116.570 2.490 1
1 50 . 17 1 1 A 13 13 TYR H H 13 8.102 8.207 -0.105 1
1 51 . 17 1 1 A 13 13 TYR CA C 13 56.965 57.455 -0.490 1
1 52 . 17 1 1 A 13 13 TYR HA H 13 4.754 4.929 -0.175 1
1 53 . 17 1 1 A 13 13 TYR CB C 13 38.432 38.711 -0.279 1
1 63 . 17 1 1 A 13 13 TYR C C 13 175.135 176.049 -0.914 1
1 65 . 17 1 1 A 14 14 GLY N N 14 111.562 107.976 3.586 1
1 66 . 17 1 1 A 14 14 GLY H H 14 8.513 7.749 0.764 1
1 67 . 17 1 1 A 14 14 GLY CA C 14 45.058 46.211 -1.153 1
1 68 . 17 1 1 A 14 14 GLY HA3 H 14 4.932 3.954 0.978 1
1 69 . 17 1 1 A 14 14 GLY C C 14 172.508 173.869 -1.361 1
1 70 . 17 1 1 A 14 14 GLY HA2 H 14 3.638 3.950 -0.312 1
1 71 . 17 1 1 A 15 15 CYS N N 15 124.194 125.850 -1.656 1
1 72 . 17 1 1 A 15 15 CYS H H 15 9.008 8.910 0.098 1
1 73 . 17 1 1 A 15 15 CYS CA C 15 58.959 59.880 -0.921 1
1 74 . 17 1 1 A 15 15 CYS HA H 15 4.695 4.479 0.216 1
1 75 . 17 1 1 A 15 15 CYS CB C 15 30.119 29.016 1.103 1
1 77 . 17 1 1 A 15 15 CYS C C 15 177.447 176.452 0.995 1
1 79 . 17 1 1 A 16 16 ASN N N 16 129.997 124.313 5.684 1
1 80 . 17 1 1 A 16 16 ASN H H 16 9.480 8.889 0.591 1
1 81 . 17 1 1 A 16 16 ASN CA C 16 55.267 54.561 0.706 1
1 82 . 17 1 1 A 16 16 ASN HA H 16 4.625 4.669 -0.044 1
1 83 . 17 1 1 A 16 16 ASN CB C 16 38.516 39.102 -0.586 1
1 88 . 17 1 1 A 16 16 ASN C C 16 175.463 177.310 -1.847 1
1 90 . 17 1 1 A 17 17 GLU N N 17 121.690 119.615 2.075 1
1 91 . 17 1 1 A 17 17 GLU H H 17 9.024 8.463 0.561 1
1 92 . 17 1 1 A 17 17 GLU CA C 17 58.253 59.334 -1.081 1
1 93 . 17 1 1 A 17 17 GLU HA H 17 4.239 4.065 0.174 1
1 94 . 17 1 1 A 17 17 GLU CB C 17 29.490 29.527 -0.037 1
1 98 . 17 1 1 A 17 17 GLU C C 17 177.355 177.863 -0.508 1
1 101 . 17 1 1 A 18 18 CYS N N 18 115.999 114.274 1.725 1
1 102 . 17 1 1 A 18 18 CYS H H 18 8.351 7.439 0.912 1
1 103 . 17 1 1 A 18 18 CYS CA C 18 58.536 59.390 -0.854 1
1 104 . 17 1 1 A 18 18 CYS HA H 18 5.170 4.657 0.513 1
1 105 . 17 1 1 A 18 18 CYS CB C 18 32.295 30.266 2.029 1
1 107 . 17 1 1 A 18 18 CYS C C 18 176.224 175.688 0.536 1
1 109 . 17 1 1 A 19 19 GLY N N 19 112.718 110.105 2.613 1
1 110 . 17 1 1 A 19 19 GLY H H 19 8.032 8.543 -0.511 1
1 111 . 17 1 1 A 19 19 GLY CA C 19 46.253 45.926 0.327 1
1 112 . 17 1 1 A 19 19 GLY HA3 H 19 4.228 4.077 0.151 1
1 113 . 17 1 1 A 19 19 GLY C C 19 174.201 173.907 0.294 1
1 114 . 17 1 1 A 19 19 GLY HA2 H 19 3.901 4.065 -0.164 1
1 115 . 17 1 1 A 20 20 LYS N N 20 122.353 120.000 2.353 1
1 116 . 17 1 1 A 20 20 LYS H H 20 7.856 7.270 0.586 1
1 117 . 17 1 1 A 20 20 LYS CA C 20 57.657 54.631 3.026 1
1 118 . 17 1 1 A 20 20 LYS HA H 20 4.043 4.662 -0.619 1
1 119 . 17 1 1 A 20 20 LYS CB C 20 34.015 35.222 -1.207 1
1 127 . 17 1 1 A 20 20 LYS C C 20 173.954 174.425 -0.471 1
1 132 . 17 1 1 A 21 21 ASN N N 21 117.851 124.160 -6.309 1
1 133 . 17 1 1 A 21 21 ASN H H 21 7.905 8.262 -0.357 1
1 134 . 17 1 1 A 21 21 ASN CA C 21 51.903 51.418 0.485 1
1 135 . 17 1 1 A 21 21 ASN HA H 21 5.337 5.363 -0.026 1
1 136 . 17 1 1 A 21 21 ASN CB C 21 41.671 40.901 0.770 1
1 141 . 17 1 1 A 21 21 ASN C C 21 174.118 174.271 -0.153 1
1 143 . 17 1 1 A 22 22 PHE N N 22 117.132 120.376 -3.244 1
1 144 . 17 1 1 A 22 22 PHE H H 22 8.604 8.852 -0.248 1
1 145 . 17 1 1 A 22 22 PHE CA C 22 57.519 59.066 -1.547 1
1 146 . 17 1 1 A 22 22 PHE HA H 22 4.753 4.749 0.004 1
1 147 . 17 1 1 A 22 22 PHE CB C 22 43.604 41.441 2.163 1
1 159 . 17 1 1 A 22 22 PHE C C 22 175.478 176.397 -0.919 1
1 161 . 17 1 1 A 23 23 GLY CA C 23 45.805 45.355 0.450 1
1 162 . 17 1 1 A 23 23 GLY HA3 H 23 4.493 4.216 0.277 1
1 163 . 17 1 1 A 23 23 GLY HA2 H 23 4.065 4.086 -0.021 1
1 164 . 17 1 1 A 24 24 ARG N N 24 115.504 119.835 -4.331 1
1 165 . 17 1 1 A 24 24 ARG H H 24 7.280 7.709 -0.429 1
1 166 . 17 1 1 A 24 24 ARG CA C 24 53.903 53.649 0.254 1
1 167 . 17 1 1 A 24 24 ARG HA H 24 4.647 4.265 0.382 1
1 168 . 17 1 1 A 24 24 ARG CB C 24 33.063 32.028 1.035 1
1 177 . 17 1 1 A 25 25 HIS N N 25 112.630 122.886 -10.256 1
1 178 . 17 1 1 A 25 25 HIS H H 25 8.702 8.695 0.007 1
1 179 . 17 1 1 A 25 25 HIS CA C 25 60.282 59.633 0.649 1
1 180 . 17 1 1 A 25 25 HIS HA H 25 3.275 3.815 -0.540 1
1 181 . 17 1 1 A 25 25 HIS CB C 25 30.569 29.917 0.652 1
1 188 . 17 1 1 A 26 26 SER CA C 26 61.201 61.562 -0.361 1
1 189 . 17 1 1 A 26 26 SER HA H 26 3.832 4.014 -0.182 1
1 190 . 17 1 1 A 26 26 SER CB C 26 61.402 62.449 -1.047 1
1 192 . 17 1 1 A 26 26 SER C C 26 176.998 177.111 -0.113 1
1 194 . 17 1 1 A 27 27 HIS N N 27 120.791 118.511 2.280 1
1 195 . 17 1 1 A 27 27 HIS H H 27 6.716 7.731 -1.015 1
1 196 . 17 1 1 A 27 27 HIS CA C 27 56.885 58.580 -1.695 1
1 197 . 17 1 1 A 27 27 HIS HA H 27 4.438 4.119 0.319 1
1 198 . 17 1 1 A 27 27 HIS CB C 27 31.710 29.954 1.756 1
1 204 . 17 1 1 A 27 27 HIS C C 27 178.259 176.978 1.281 1
1 206 . 17 1 1 A 28 28 LEU N N 28 121.891 119.992 1.899 1
1 207 . 17 1 1 A 28 28 LEU H H 28 7.048 7.516 -0.468 1
1 208 . 17 1 1 A 28 28 LEU CA C 28 57.858 58.019 -0.161 1
1 209 . 17 1 1 A 28 28 LEU HA H 28 3.316 3.378 -0.062 1
1 210 . 17 1 1 A 28 28 LEU CB C 28 40.235 41.639 -1.404 1
1 222 . 17 1 1 A 28 28 LEU C C 28 177.276 178.376 -1.100 1
1 224 . 17 1 1 A 29 29 ILE N N 29 118.247 119.725 -1.478 1
1 225 . 17 1 1 A 29 29 ILE H H 29 7.890 8.112 -0.222 1
1 226 . 17 1 1 A 29 29 ILE CA C 29 63.737 65.359 -1.622 1
1 227 . 17 1 1 A 29 29 ILE HA H 29 3.547 3.446 0.101 1
1 228 . 17 1 1 A 29 29 ILE CB C 29 36.186 37.667 -1.481 1
1 240 . 17 1 1 A 29 29 ILE C C 29 178.830 177.499 1.331 1
1 242 . 17 1 1 A 30 30 GLU N N 30 117.991 119.265 -1.274 1
1 243 . 17 1 1 A 30 30 GLU H H 30 7.499 8.318 -0.819 1
1 244 . 17 1 1 A 30 30 GLU CA C 30 59.104 59.547 -0.443 1
1 245 . 17 1 1 A 30 30 GLU HA H 30 3.959 3.889 0.070 1
1 246 . 17 1 1 A 30 30 GLU CB C 30 29.435 29.415 0.020 1
1 250 . 17 1 1 A 30 30 GLU C C 30 178.622 179.109 -0.487 1
1 253 . 17 1 1 A 31 31 HIS N N 31 119.737 120.183 -0.446 1
1 254 . 17 1 1 A 31 31 HIS H H 31 7.541 7.361 0.180 1
1 255 . 17 1 1 A 31 31 HIS CA C 31 59.599 59.768 -0.169 1
1 256 . 17 1 1 A 31 31 HIS HA H 31 4.113 4.129 -0.016 1
1 257 . 17 1 1 A 31 31 HIS CB C 31 28.503 29.815 -1.312 1
1 263 . 17 1 1 A 31 31 HIS C C 31 177.036 176.836 0.200 1
1 265 . 17 1 1 A 32 32 LEU N N 32 118.963 118.793 0.170 1
1 266 . 17 1 1 A 32 32 LEU H H 32 8.669 8.534 0.135 1
1 267 . 17 1 1 A 32 32 LEU CA C 32 58.231 57.787 0.444 1
1 268 . 17 1 1 A 32 32 LEU HA H 32 3.868 3.407 0.461 1
1 269 . 17 1 1 A 32 32 LEU CB C 32 41.914 41.500 0.414 1
1 281 . 17 1 1 A 32 32 LEU C C 32 179.605 178.987 0.618 1
1 283 . 17 1 1 A 33 33 LYS N N 33 117.980 117.859 0.121 1
1 284 . 17 1 1 A 33 33 LYS H H 33 7.426 7.852 -0.426 1
1 285 . 17 1 1 A 33 33 LYS CA C 33 59.259 60.382 -1.123 1
1 286 . 17 1 1 A 33 33 LYS HA H 33 3.964 3.884 0.080 1
1 287 . 17 1 1 A 33 33 LYS CB C 33 32.436 32.116 0.320 1
1 295 . 17 1 1 A 33 33 LYS C C 33 178.878 179.213 -0.335 1
1 300 . 17 1 1 A 34 34 ARG N N 34 117.379 119.420 -2.041 1
1 301 . 17 1 1 A 34 34 ARG H H 34 7.659 7.617 0.042 1
1 302 . 17 1 1 A 34 34 ARG CA C 34 57.923 59.596 -1.673 1
1 303 . 17 1 1 A 34 34 ARG HA H 34 4.030 3.931 0.099 1
1 304 . 17 1 1 A 34 34 ARG CB C 34 29.157 29.925 -0.768 1
1 310 . 17 1 1 A 34 34 ARG C C 34 178.055 178.865 -0.810 1
1 314 . 17 1 1 A 35 35 HIS N N 35 115.913 118.193 -2.280 1
1 315 . 17 1 1 A 35 35 HIS H H 35 7.257 8.013 -0.756 1
1 316 . 17 1 1 A 35 35 HIS CA C 35 56.578 59.007 -2.429 1
1 317 . 17 1 1 A 35 35 HIS HA H 35 4.629 4.171 0.458 1
1 318 . 17 1 1 A 35 35 HIS CB C 35 28.654 29.968 -1.314 1
1 324 . 17 1 1 A 35 35 HIS C C 35 175.953 177.929 -1.976 1
1 326 . 17 1 1 A 36 36 PHE N N 36 119.384 120.599 -1.215 1
1 327 . 17 1 1 A 36 36 PHE H H 36 7.760 8.069 -0.309 1
1 328 . 17 1 1 A 36 36 PHE CA C 36 58.890 62.108 -3.218 1
1 329 . 17 1 1 A 36 36 PHE HA H 36 4.543 3.959 0.584 1
1 330 . 17 1 1 A 36 36 PHE CB C 36 39.026 39.460 -0.434 1
1 342 . 17 1 1 A 36 36 PHE C C 36 176.549 176.770 -0.221 1
1 344 . 17 1 1 A 37 37 ARG N N 37 121.608 120.593 1.015 1
1 345 . 17 1 1 A 37 37 ARG H H 37 8.099 7.428 0.671 1
1 346 . 17 1 1 A 37 37 ARG CA C 37 56.871 56.940 -0.069 1
1 347 . 17 1 1 A 37 37 ARG HA H 37 4.231 4.347 -0.116 1
1 348 . 17 1 1 A 37 37 ARG CB C 37 30.858 31.053 -0.195 1
1 354 . 17 1 1 A 37 37 ARG C C 37 176.808 175.191 1.617 1
1 358 . 17 1 1 A 38 38 GLU N N 38 120.749 126.270 -5.521 1
1 359 . 17 1 1 A 38 38 GLU H H 38 8.205 8.570 -0.365 1
1 360 . 17 1 1 A 38 38 GLU CA C 38 57.166 54.849 2.317 1
1 361 . 17 1 1 A 38 38 GLU HA H 38 4.194 4.862 -0.668 1
1 362 . 17 1 1 A 38 38 GLU CB C 38 30.047 33.802 -3.755 1
1 366 . 17 1 1 A 38 38 GLU C C 38 176.985 175.071 1.914 1
1 369 . 17 1 1 A 39 39 LYS N N 39 121.011 122.995 -1.984 1
1 370 . 17 1 1 A 39 39 LYS H H 39 8.130 8.359 -0.229 1
1 371 . 17 1 1 A 39 39 LYS CA C 39 56.734 56.653 0.081 1
1 372 . 17 1 1 A 39 39 LYS HA H 39 4.315 4.183 0.132 1
1 373 . 17 1 1 A 39 39 LYS CB C 39 32.934 32.560 0.374 1
1 381 . 17 1 1 A 39 39 LYS C C 39 176.838 175.553 1.285 1
1 386 . 17 1 1 A 40 40 SER N N 40 116.295 120.382 -4.087 1
1 387 . 17 1 1 A 40 40 SER H H 40 8.203 8.739 -0.536 1
1 388 . 17 1 1 A 40 40 SER CA C 40 58.413 56.272 2.141 1
1 389 . 17 1 1 A 40 40 SER HA H 40 4.474 5.117 -0.643 1
1 390 . 17 1 1 A 40 40 SER CB C 40 63.797 66.320 -2.523 1
1 392 . 17 1 1 A 40 40 SER C C 40 174.559 173.346 1.213 1
1 394 . 17 1 1 A 41 41 SER N N 41 117.522 120.495 -2.973 1
1 395 . 17 1 1 A 41 41 SER H H 41 8.267 8.678 -0.411 1
1 396 . 17 1 1 A 41 41 SER CA C 41 58.400 59.567 -1.167 1
1 397 . 17 1 1 A 41 41 SER HA H 41 4.488 4.247 0.241 1
1 398 . 17 1 1 A 41 41 SER CB C 41 64.016 62.860 1.156 1
1 400 . 17 1 1 A 41 41 SER C C 41 174.474 174.497 -0.023 1
1 402 . 17 1 1 A 42 42 GLY N N 42 110.551 109.692 0.859 1
1 403 . 17 1 1 A 42 42 GLY H H 42 8.215 8.674 -0.459 1
1 404 . 17 1 1 A 42 42 GLY CA C 42 44.645 44.765 -0.120 1
1 405 . 17 1 1 A 42 42 GLY HA3 H 42 4.143 4.176 -0.033 1
1 406 . 17 1 1 A 42 42 GLY C C 42 171.741 172.591 -0.850 1
1 407 . 17 1 1 A 42 42 GLY HA2 H 42 4.143 4.174 -0.031 1
1 408 . 17 1 1 A 43 43 PRO CA C 43 63.271 62.656 0.615 1
1 409 . 17 1 1 A 43 43 PRO HA H 43 4.488 4.687 -0.199 1
1 410 . 17 1 1 A 43 43 PRO CB C 43 32.184 31.664 0.520 1
1 416 . 17 1 1 A 43 43 PRO C C 43 177.380 177.106 0.274 1
1 420 . 17 1 1 A 44 44 SER N N 44 116.453 120.012 -3.559 1
1 421 . 17 1 1 A 44 44 SER H H 44 8.540 8.702 -0.162 1
1 1 . 18 1 1 A 8 8 SER CA C 8 58.454 57.648 0.806 1
1 2 . 18 1 1 A 8 8 SER HA H 8 4.440 5.158 -0.718 1
1 3 . 18 1 1 A 8 8 SER CB C 8 63.904 65.019 -1.115 1
1 5 . 18 1 1 A 8 8 SER C C 8 175.126 173.797 1.329 1
1 7 . 18 1 1 A 9 9 GLY N N 9 110.864 111.881 -1.017 1
1 8 . 18 1 1 A 9 9 GLY H H 9 8.493 8.773 -0.280 1
1 9 . 18 1 1 A 9 9 GLY CA C 9 45.376 44.622 0.754 1
1 10 . 18 1 1 A 9 9 GLY C C 9 174.128 172.462 1.666 1
1 11 . 18 1 1 A 9 9 GLY HA2 H 9 3.960 4.159 -0.199 1
1 12 . 18 1 1 A 10 10 GLU N N 10 120.050 121.450 -1.400 1
1 13 . 18 1 1 A 10 10 GLU H H 10 8.255 8.646 -0.391 1
1 14 . 18 1 1 A 10 10 GLU CA C 10 56.893 55.414 1.479 1
1 15 . 18 1 1 A 10 10 GLU HA H 10 4.236 4.996 -0.760 1
1 16 . 18 1 1 A 10 10 GLU CB C 10 30.417 30.554 -0.137 1
1 20 . 18 1 1 A 10 10 GLU C C 10 176.477 175.158 1.319 1
1 23 . 18 1 1 A 11 11 ARG N N 11 121.287 122.982 -1.695 1
1 24 . 18 1 1 A 11 11 ARG H H 11 8.311 8.186 0.125 1
1 25 . 18 1 1 A 11 11 ARG CA C 11 53.586 54.153 -0.567 1
1 26 . 18 1 1 A 11 11 ARG HA H 11 4.588 4.841 -0.253 1
1 27 . 18 1 1 A 11 11 ARG CB C 11 30.618 33.214 -2.596 1
1 33 . 18 1 1 A 11 11 ARG C C 11 173.631 175.772 -2.141 1
1 37 . 18 1 1 A 12 12 PRO CA C 12 63.542 64.871 -1.329 1
1 38 . 18 1 1 A 12 12 PRO HA H 12 4.349 4.252 0.097 1
1 39 . 18 1 1 A 12 12 PRO CB C 12 32.216 31.495 0.721 1
1 45 . 18 1 1 A 12 12 PRO C C 12 176.387 175.964 0.423 1
1 49 . 18 1 1 A 13 13 TYR N N 13 119.060 117.789 1.271 1
1 50 . 18 1 1 A 13 13 TYR H H 13 8.102 7.754 0.348 1
1 51 . 18 1 1 A 13 13 TYR CA C 13 56.965 56.572 0.393 1
1 52 . 18 1 1 A 13 13 TYR HA H 13 4.754 5.055 -0.301 1
1 53 . 18 1 1 A 13 13 TYR CB C 13 38.432 40.569 -2.137 1
1 63 . 18 1 1 A 13 13 TYR C C 13 175.135 175.189 -0.054 1
1 65 . 18 1 1 A 14 14 GLY N N 14 111.562 110.884 0.678 1
1 66 . 18 1 1 A 14 14 GLY H H 14 8.513 9.004 -0.491 1
1 67 . 18 1 1 A 14 14 GLY CA C 14 45.058 44.987 0.071 1
1 68 . 18 1 1 A 14 14 GLY HA3 H 14 4.932 4.279 0.653 1
1 69 . 18 1 1 A 14 14 GLY C C 14 172.508 172.614 -0.106 1
1 70 . 18 1 1 A 14 14 GLY HA2 H 14 3.638 4.271 -0.633 1
1 71 . 18 1 1 A 15 15 CYS N N 15 124.194 124.613 -0.419 1
1 72 . 18 1 1 A 15 15 CYS H H 15 9.008 8.507 0.501 1
1 73 . 18 1 1 A 15 15 CYS CA C 15 58.959 58.797 0.162 1
1 74 . 18 1 1 A 15 15 CYS HA H 15 4.695 4.703 -0.008 1
1 75 . 18 1 1 A 15 15 CYS CB C 15 30.119 28.911 1.208 1
1 77 . 18 1 1 A 15 15 CYS C C 15 177.447 174.405 3.042 1
1 79 . 18 1 1 A 16 16 ASN N N 16 129.997 123.709 6.288 1
1 80 . 18 1 1 A 16 16 ASN H H 16 9.480 8.891 0.589 1
1 81 . 18 1 1 A 16 16 ASN CA C 16 55.267 54.292 0.975 1
1 82 . 18 1 1 A 16 16 ASN HA H 16 4.625 4.983 -0.358 1
1 83 . 18 1 1 A 16 16 ASN CB C 16 38.516 39.929 -1.413 1
1 88 . 18 1 1 A 16 16 ASN C C 16 175.463 177.060 -1.597 1
1 90 . 18 1 1 A 17 17 GLU N N 17 121.690 118.533 3.157 1
1 91 . 18 1 1 A 17 17 GLU H H 17 9.024 8.360 0.664 1
1 92 . 18 1 1 A 17 17 GLU CA C 17 58.253 59.703 -1.450 1
1 93 . 18 1 1 A 17 17 GLU HA H 17 4.239 3.916 0.323 1
1 94 . 18 1 1 A 17 17 GLU CB C 17 29.490 29.093 0.397 1
1 98 . 18 1 1 A 17 17 GLU C C 17 177.355 177.847 -0.492 1
1 101 . 18 1 1 A 18 18 CYS N N 18 115.999 114.565 1.434 1
1 102 . 18 1 1 A 18 18 CYS H H 18 8.351 7.358 0.993 1
1 103 . 18 1 1 A 18 18 CYS CA C 18 58.536 59.499 -0.963 1
1 104 . 18 1 1 A 18 18 CYS HA H 18 5.170 4.566 0.604 1
1 105 . 18 1 1 A 18 18 CYS CB C 18 32.295 29.978 2.317 1
1 107 . 18 1 1 A 18 18 CYS C C 18 176.224 175.520 0.704 1
1 109 . 18 1 1 A 19 19 GLY N N 19 112.718 110.111 2.607 1
1 110 . 18 1 1 A 19 19 GLY H H 19 8.032 8.398 -0.366 1
1 111 . 18 1 1 A 19 19 GLY CA C 19 46.253 45.752 0.501 1
1 112 . 18 1 1 A 19 19 GLY HA3 H 19 4.228 4.049 0.179 1
1 113 . 18 1 1 A 19 19 GLY C C 19 174.201 174.244 -0.043 1
1 114 . 18 1 1 A 19 19 GLY HA2 H 19 3.901 4.041 -0.140 1
1 115 . 18 1 1 A 20 20 LYS N N 20 122.353 119.522 2.831 1
1 116 . 18 1 1 A 20 20 LYS H H 20 7.856 7.856 0.000 1
1 117 . 18 1 1 A 20 20 LYS CA C 20 57.657 54.685 2.972 1
1 118 . 18 1 1 A 20 20 LYS HA H 20 4.043 4.394 -0.351 1
1 119 . 18 1 1 A 20 20 LYS CB C 20 34.015 34.414 -0.399 1
1 127 . 18 1 1 A 20 20 LYS C C 20 173.954 175.860 -1.906 1
1 132 . 18 1 1 A 21 21 ASN N N 21 117.851 124.159 -6.308 1
1 133 . 18 1 1 A 21 21 ASN H H 21 7.905 8.604 -0.699 1
1 134 . 18 1 1 A 21 21 ASN CA C 21 51.903 51.524 0.379 1
1 135 . 18 1 1 A 21 21 ASN HA H 21 5.337 4.885 0.452 1
1 136 . 18 1 1 A 21 21 ASN CB C 21 41.671 39.753 1.918 1
1 141 . 18 1 1 A 21 21 ASN C C 21 174.118 173.942 0.176 1
1 143 . 18 1 1 A 22 22 PHE N N 22 117.132 116.497 0.635 1
1 144 . 18 1 1 A 22 22 PHE H H 22 8.604 8.505 0.099 1
1 145 . 18 1 1 A 22 22 PHE CA C 22 57.519 56.514 1.005 1
1 146 . 18 1 1 A 22 22 PHE HA H 22 4.753 4.992 -0.239 1
1 147 . 18 1 1 A 22 22 PHE CB C 22 43.604 44.050 -0.446 1
1 159 . 18 1 1 A 22 22 PHE C C 22 175.478 175.191 0.287 1
1 161 . 18 1 1 A 23 23 GLY CA C 23 45.805 45.465 0.340 1
1 162 . 18 1 1 A 23 23 GLY HA3 H 23 4.493 4.295 0.198 1
1 163 . 18 1 1 A 23 23 GLY HA2 H 23 4.065 4.116 -0.051 1
1 164 . 18 1 1 A 24 24 ARG N N 24 115.504 119.215 -3.711 1
1 165 . 18 1 1 A 24 24 ARG H H 24 7.280 7.228 0.052 1
1 166 . 18 1 1 A 24 24 ARG CA C 24 53.903 53.685 0.218 1
1 167 . 18 1 1 A 24 24 ARG HA H 24 4.647 4.697 -0.050 1
1 168 . 18 1 1 A 24 24 ARG CB C 24 33.063 33.664 -0.601 1
1 177 . 18 1 1 A 25 25 HIS N N 25 112.630 123.081 -10.451 1
1 178 . 18 1 1 A 25 25 HIS H H 25 8.702 8.963 -0.261 1
1 179 . 18 1 1 A 25 25 HIS CA C 25 60.282 59.524 0.758 1
1 180 . 18 1 1 A 25 25 HIS HA H 25 3.275 3.617 -0.342 1
1 181 . 18 1 1 A 25 25 HIS CB C 25 30.569 30.064 0.505 1
1 188 . 18 1 1 A 26 26 SER CA C 26 61.201 61.464 -0.263 1
1 189 . 18 1 1 A 26 26 SER HA H 26 3.832 4.042 -0.210 1
1 190 . 18 1 1 A 26 26 SER CB C 26 61.402 62.388 -0.986 1
1 192 . 18 1 1 A 26 26 SER C C 26 176.998 177.127 -0.129 1
1 194 . 18 1 1 A 27 27 HIS N N 27 120.791 118.536 2.255 1
1 195 . 18 1 1 A 27 27 HIS H H 27 6.716 7.997 -1.281 1
1 196 . 18 1 1 A 27 27 HIS CA C 27 56.885 58.432 -1.547 1
1 197 . 18 1 1 A 27 27 HIS HA H 27 4.438 4.057 0.381 1
1 198 . 18 1 1 A 27 27 HIS CB C 27 31.710 29.582 2.128 1
1 204 . 18 1 1 A 27 27 HIS C C 27 178.259 177.023 1.236 1
1 206 . 18 1 1 A 28 28 LEU N N 28 121.891 120.083 1.808 1
1 207 . 18 1 1 A 28 28 LEU H H 28 7.048 7.194 -0.146 1
1 208 . 18 1 1 A 28 28 LEU CA C 28 57.858 58.057 -0.199 1
1 209 . 18 1 1 A 28 28 LEU HA H 28 3.316 3.575 -0.259 1
1 210 . 18 1 1 A 28 28 LEU CB C 28 40.235 41.635 -1.400 1
1 222 . 18 1 1 A 28 28 LEU C C 28 177.276 178.372 -1.096 1
1 224 . 18 1 1 A 29 29 ILE N N 29 118.247 119.887 -1.640 1
1 225 . 18 1 1 A 29 29 ILE H H 29 7.890 7.794 0.096 1
1 226 . 18 1 1 A 29 29 ILE CA C 29 63.737 65.868 -2.131 1
1 227 . 18 1 1 A 29 29 ILE HA H 29 3.547 3.392 0.155 1
1 228 . 18 1 1 A 29 29 ILE CB C 29 36.186 37.711 -1.525 1
1 240 . 18 1 1 A 29 29 ILE C C 29 178.830 178.029 0.801 1
1 242 . 18 1 1 A 30 30 GLU N N 30 117.991 120.300 -2.309 1
1 243 . 18 1 1 A 30 30 GLU H H 30 7.499 8.539 -1.040 1
1 244 . 18 1 1 A 30 30 GLU CA C 30 59.104 59.486 -0.382 1
1 245 . 18 1 1 A 30 30 GLU HA H 30 3.959 3.748 0.211 1
1 246 . 18 1 1 A 30 30 GLU CB C 30 29.435 29.326 0.109 1
1 250 . 18 1 1 A 30 30 GLU C C 30 178.622 178.352 0.270 1
1 253 . 18 1 1 A 31 31 HIS N N 31 119.737 119.610 0.127 1
1 254 . 18 1 1 A 31 31 HIS H H 31 7.541 7.667 -0.126 1
1 255 . 18 1 1 A 31 31 HIS CA C 31 59.599 59.739 -0.140 1
1 256 . 18 1 1 A 31 31 HIS HA H 31 4.113 4.085 0.028 1
1 257 . 18 1 1 A 31 31 HIS CB C 31 28.503 29.921 -1.418 1
1 263 . 18 1 1 A 31 31 HIS C C 31 177.036 176.804 0.232 1
1 265 . 18 1 1 A 32 32 LEU N N 32 118.963 119.897 -0.934 1
1 266 . 18 1 1 A 32 32 LEU H H 32 8.669 8.515 0.154 1
1 267 . 18 1 1 A 32 32 LEU CA C 32 58.231 58.317 -0.086 1
1 268 . 18 1 1 A 32 32 LEU HA H 32 3.868 3.620 0.248 1
1 269 . 18 1 1 A 32 32 LEU CB C 32 41.914 41.380 0.534 1
1 281 . 18 1 1 A 32 32 LEU C C 32 179.605 178.891 0.714 1
1 283 . 18 1 1 A 33 33 LYS N N 33 117.980 116.706 1.274 1
1 284 . 18 1 1 A 33 33 LYS H H 33 7.426 7.829 -0.403 1
1 285 . 18 1 1 A 33 33 LYS CA C 33 59.259 60.335 -1.076 1
1 286 . 18 1 1 A 33 33 LYS HA H 33 3.964 3.846 0.118 1
1 287 . 18 1 1 A 33 33 LYS CB C 33 32.436 32.188 0.248 1
1 295 . 18 1 1 A 33 33 LYS C C 33 178.878 179.685 -0.807 1
1 300 . 18 1 1 A 34 34 ARG N N 34 117.379 119.325 -1.946 1
1 301 . 18 1 1 A 34 34 ARG H H 34 7.659 8.177 -0.518 1
1 302 . 18 1 1 A 34 34 ARG CA C 34 57.923 59.571 -1.648 1
1 303 . 18 1 1 A 34 34 ARG HA H 34 4.030 3.846 0.184 1
1 304 . 18 1 1 A 34 34 ARG CB C 34 29.157 29.690 -0.533 1
1 310 . 18 1 1 A 34 34 ARG C C 34 178.055 179.005 -0.950 1
1 314 . 18 1 1 A 35 35 HIS N N 35 115.913 118.916 -3.003 1
1 315 . 18 1 1 A 35 35 HIS H H 35 7.257 7.516 -0.259 1
1 316 . 18 1 1 A 35 35 HIS CA C 35 56.578 59.345 -2.767 1
1 317 . 18 1 1 A 35 35 HIS HA H 35 4.629 4.282 0.347 1
1 318 . 18 1 1 A 35 35 HIS CB C 35 28.654 29.879 -1.225 1
1 324 . 18 1 1 A 35 35 HIS C C 35 175.953 177.672 -1.719 1
1 326 . 18 1 1 A 36 36 PHE N N 36 119.384 116.866 2.518 1
1 327 . 18 1 1 A 36 36 PHE H H 36 7.760 8.132 -0.372 1
1 328 . 18 1 1 A 36 36 PHE CA C 36 58.890 61.088 -2.198 1
1 329 . 18 1 1 A 36 36 PHE HA H 36 4.543 4.252 0.291 1
1 330 . 18 1 1 A 36 36 PHE CB C 36 39.026 38.420 0.606 1
1 342 . 18 1 1 A 36 36 PHE C C 36 176.549 176.573 -0.024 1
1 344 . 18 1 1 A 37 37 ARG N N 37 121.608 118.596 3.012 1
1 345 . 18 1 1 A 37 37 ARG H H 37 8.099 8.198 -0.099 1
1 346 . 18 1 1 A 37 37 ARG CA C 37 56.871 56.989 -0.118 1
1 347 . 18 1 1 A 37 37 ARG HA H 37 4.231 4.317 -0.086 1
1 348 . 18 1 1 A 37 37 ARG CB C 37 30.858 30.535 0.323 1
1 354 . 18 1 1 A 37 37 ARG C C 37 176.808 176.417 0.391 1
1 358 . 18 1 1 A 38 38 GLU N N 38 120.749 124.736 -3.987 1
1 359 . 18 1 1 A 38 38 GLU H H 38 8.205 8.824 -0.619 1
1 360 . 18 1 1 A 38 38 GLU CA C 38 57.166 55.749 1.417 1
1 361 . 18 1 1 A 38 38 GLU HA H 38 4.194 4.462 -0.268 1
1 362 . 18 1 1 A 38 38 GLU CB C 38 30.047 28.676 1.371 1
1 366 . 18 1 1 A 38 38 GLU C C 38 176.985 175.323 1.662 1
1 369 . 18 1 1 A 39 39 LYS N N 39 121.011 126.766 -5.755 1
1 370 . 18 1 1 A 39 39 LYS H H 39 8.130 7.940 0.190 1
1 371 . 18 1 1 A 39 39 LYS CA C 39 56.734 54.396 2.338 1
1 372 . 18 1 1 A 39 39 LYS HA H 39 4.315 4.938 -0.623 1
1 373 . 18 1 1 A 39 39 LYS CB C 39 32.934 35.851 -2.917 1
1 381 . 18 1 1 A 39 39 LYS C C 39 176.838 177.125 -0.287 1
1 386 . 18 1 1 A 40 40 SER N N 40 116.295 121.619 -5.324 1
1 387 . 18 1 1 A 40 40 SER H H 40 8.203 9.042 -0.839 1
1 388 . 18 1 1 A 40 40 SER CA C 40 58.413 62.503 -4.090 1
1 389 . 18 1 1 A 40 40 SER HA H 40 4.474 4.061 0.413 1
1 390 . 18 1 1 A 40 40 SER CB C 40 63.797 62.945 0.852 1
1 392 . 18 1 1 A 40 40 SER C C 40 174.559 174.575 -0.016 1
1 394 . 18 1 1 A 41 41 SER N N 41 117.522 112.832 4.690 1
1 395 . 18 1 1 A 41 41 SER H H 41 8.267 8.042 0.225 1
1 396 . 18 1 1 A 41 41 SER CA C 41 58.400 59.217 -0.817 1
1 397 . 18 1 1 A 41 41 SER HA H 41 4.488 4.201 0.287 1
1 398 . 18 1 1 A 41 41 SER CB C 41 64.016 61.750 2.266 1
1 400 . 18 1 1 A 41 41 SER C C 41 174.474 174.060 0.414 1
1 402 . 18 1 1 A 42 42 GLY N N 42 110.551 107.150 3.401 1
1 403 . 18 1 1 A 42 42 GLY H H 42 8.215 8.112 0.103 1
1 404 . 18 1 1 A 42 42 GLY CA C 42 44.645 46.868 -2.223 1
1 405 . 18 1 1 A 42 42 GLY HA3 H 42 4.143 3.869 0.274 1
1 406 . 18 1 1 A 42 42 GLY C C 42 171.741 174.475 -2.734 1
1 407 . 18 1 1 A 42 42 GLY HA2 H 42 4.143 3.867 0.276 1
1 408 . 18 1 1 A 43 43 PRO CA C 43 63.271 62.427 0.844 1
1 409 . 18 1 1 A 43 43 PRO HA H 43 4.488 4.492 -0.004 1
1 410 . 18 1 1 A 43 43 PRO CB C 43 32.184 32.379 -0.195 1
1 416 . 18 1 1 A 43 43 PRO C C 43 177.380 176.702 0.678 1
1 420 . 18 1 1 A 44 44 SER N N 44 116.453 118.367 -1.914 1
1 421 . 18 1 1 A 44 44 SER H H 44 8.540 8.446 0.094 1
1 1 . 19 1 1 A 8 8 SER CA C 8 58.454 58.788 -0.334 1
1 2 . 19 1 1 A 8 8 SER HA H 8 4.440 4.430 0.010 1
1 3 . 19 1 1 A 8 8 SER CB C 8 63.904 63.982 -0.078 1
1 5 . 19 1 1 A 8 8 SER C C 8 175.126 174.264 0.862 1
1 7 . 19 1 1 A 9 9 GLY N N 9 110.864 108.129 2.735 1
1 8 . 19 1 1 A 9 9 GLY H H 9 8.493 8.418 0.075 1
1 9 . 19 1 1 A 9 9 GLY CA C 9 45.376 45.597 -0.221 1
1 10 . 19 1 1 A 9 9 GLY C C 9 174.128 172.035 2.093 1
1 11 . 19 1 1 A 9 9 GLY HA2 H 9 3.960 4.170 -0.210 1
1 12 . 19 1 1 A 10 10 GLU N N 10 120.050 126.407 -6.357 1
1 13 . 19 1 1 A 10 10 GLU H H 10 8.255 9.107 -0.852 1
1 14 . 19 1 1 A 10 10 GLU CA C 10 56.893 55.159 1.734 1
1 15 . 19 1 1 A 10 10 GLU HA H 10 4.236 4.864 -0.628 1
1 16 . 19 1 1 A 10 10 GLU CB C 10 30.417 30.492 -0.075 1
1 20 . 19 1 1 A 10 10 GLU C C 10 176.477 174.902 1.575 1
1 23 . 19 1 1 A 11 11 ARG N N 11 121.287 128.318 -7.031 1
1 24 . 19 1 1 A 11 11 ARG H H 11 8.311 8.254 0.057 1
1 25 . 19 1 1 A 11 11 ARG CA C 11 53.586 53.931 -0.345 1
1 26 . 19 1 1 A 11 11 ARG HA H 11 4.588 4.720 -0.132 1
1 27 . 19 1 1 A 11 11 ARG CB C 11 30.618 31.992 -1.374 1
1 33 . 19 1 1 A 11 11 ARG C C 11 173.631 175.857 -2.226 1
1 37 . 19 1 1 A 12 12 PRO CA C 12 63.542 64.693 -1.151 1
1 38 . 19 1 1 A 12 12 PRO HA H 12 4.349 4.263 0.086 1
1 39 . 19 1 1 A 12 12 PRO CB C 12 32.216 31.671 0.545 1
1 45 . 19 1 1 A 12 12 PRO C C 12 176.387 176.981 -0.594 1
1 49 . 19 1 1 A 13 13 TYR N N 13 119.060 116.568 2.492 1
1 50 . 19 1 1 A 13 13 TYR H H 13 8.102 7.959 0.143 1
1 51 . 19 1 1 A 13 13 TYR CA C 13 56.965 57.708 -0.743 1
1 52 . 19 1 1 A 13 13 TYR HA H 13 4.754 4.746 0.008 1
1 53 . 19 1 1 A 13 13 TYR CB C 13 38.432 38.258 0.174 1
1 63 . 19 1 1 A 13 13 TYR C C 13 175.135 176.288 -1.153 1
1 65 . 19 1 1 A 14 14 GLY N N 14 111.562 108.003 3.559 1
1 66 . 19 1 1 A 14 14 GLY H H 14 8.513 7.648 0.865 1
1 67 . 19 1 1 A 14 14 GLY CA C 14 45.058 45.487 -0.429 1
1 68 . 19 1 1 A 14 14 GLY HA3 H 14 4.932 4.034 0.898 1
1 69 . 19 1 1 A 14 14 GLY C C 14 172.508 172.341 0.167 1
1 70 . 19 1 1 A 14 14 GLY HA2 H 14 3.638 4.024 -0.386 1
1 71 . 19 1 1 A 15 15 CYS N N 15 124.194 119.696 4.498 1
1 72 . 19 1 1 A 15 15 CYS H H 15 9.008 8.291 0.717 1
1 73 . 19 1 1 A 15 15 CYS CA C 15 58.959 57.695 1.264 1
1 74 . 19 1 1 A 15 15 CYS HA H 15 4.695 5.148 -0.453 1
1 75 . 19 1 1 A 15 15 CYS CB C 15 30.119 30.570 -0.451 1
1 77 . 19 1 1 A 15 15 CYS C C 15 177.447 176.108 1.339 1
1 79 . 19 1 1 A 16 16 ASN N N 16 129.997 123.556 6.441 1
1 80 . 19 1 1 A 16 16 ASN H H 16 9.480 8.567 0.913 1
1 81 . 19 1 1 A 16 16 ASN CA C 16 55.267 54.120 1.147 1
1 82 . 19 1 1 A 16 16 ASN HA H 16 4.625 4.718 -0.093 1
1 83 . 19 1 1 A 16 16 ASN CB C 16 38.516 39.506 -0.990 1
1 88 . 19 1 1 A 16 16 ASN C C 16 175.463 177.353 -1.890 1
1 90 . 19 1 1 A 17 17 GLU N N 17 121.690 120.442 1.248 1
1 91 . 19 1 1 A 17 17 GLU H H 17 9.024 8.338 0.686 1
1 92 . 19 1 1 A 17 17 GLU CA C 17 58.253 59.342 -1.089 1
1 93 . 19 1 1 A 17 17 GLU HA H 17 4.239 4.022 0.217 1
1 94 . 19 1 1 A 17 17 GLU CB C 17 29.490 29.202 0.288 1
1 98 . 19 1 1 A 17 17 GLU C C 17 177.355 177.932 -0.577 1
1 101 . 19 1 1 A 18 18 CYS N N 18 115.999 114.219 1.780 1
1 102 . 19 1 1 A 18 18 CYS H H 18 8.351 7.384 0.967 1
1 103 . 19 1 1 A 18 18 CYS CA C 18 58.536 59.369 -0.833 1
1 104 . 19 1 1 A 18 18 CYS HA H 18 5.170 4.669 0.501 1
1 105 . 19 1 1 A 18 18 CYS CB C 18 32.295 30.023 2.272 1
1 107 . 19 1 1 A 18 18 CYS C C 18 176.224 175.637 0.587 1
1 109 . 19 1 1 A 19 19 GLY N N 19 112.718 109.848 2.870 1
1 110 . 19 1 1 A 19 19 GLY H H 19 8.032 8.174 -0.142 1
1 111 . 19 1 1 A 19 19 GLY CA C 19 46.253 45.333 0.920 1
1 112 . 19 1 1 A 19 19 GLY HA3 H 19 4.228 4.067 0.161 1
1 113 . 19 1 1 A 19 19 GLY C C 19 174.201 174.231 -0.030 1
1 114 . 19 1 1 A 19 19 GLY HA2 H 19 3.901 4.061 -0.160 1
1 115 . 19 1 1 A 20 20 LYS N N 20 122.353 120.417 1.936 1
1 116 . 19 1 1 A 20 20 LYS H H 20 7.856 7.734 0.122 1
1 117 . 19 1 1 A 20 20 LYS CA C 20 57.657 54.582 3.075 1
1 118 . 19 1 1 A 20 20 LYS HA H 20 4.043 4.558 -0.515 1
1 119 . 19 1 1 A 20 20 LYS CB C 20 34.015 34.508 -0.493 1
1 127 . 19 1 1 A 20 20 LYS C C 20 173.954 174.556 -0.602 1
1 132 . 19 1 1 A 21 21 ASN N N 21 117.851 122.846 -4.995 1
1 133 . 19 1 1 A 21 21 ASN H H 21 7.905 8.220 -0.315 1
1 134 . 19 1 1 A 21 21 ASN CA C 21 51.903 51.608 0.295 1
1 135 . 19 1 1 A 21 21 ASN HA H 21 5.337 5.517 -0.180 1
1 136 . 19 1 1 A 21 21 ASN CB C 21 41.671 41.034 0.637 1
1 141 . 19 1 1 A 21 21 ASN C C 21 174.118 173.813 0.305 1
1 143 . 19 1 1 A 22 22 PHE N N 22 117.132 119.281 -2.149 1
1 144 . 19 1 1 A 22 22 PHE H H 22 8.604 8.758 -0.154 1
1 145 . 19 1 1 A 22 22 PHE CA C 22 57.519 56.493 1.026 1
1 146 . 19 1 1 A 22 22 PHE HA H 22 4.753 5.076 -0.323 1
1 147 . 19 1 1 A 22 22 PHE CB C 22 43.604 44.155 -0.551 1
1 159 . 19 1 1 A 22 22 PHE C C 22 175.478 175.433 0.045 1
1 161 . 19 1 1 A 23 23 GLY CA C 23 45.805 45.955 -0.150 1
1 162 . 19 1 1 A 23 23 GLY HA3 H 23 4.493 4.205 0.288 1
1 163 . 19 1 1 A 23 23 GLY HA2 H 23 4.065 4.084 -0.019 1
1 164 . 19 1 1 A 24 24 ARG N N 24 115.504 119.882 -4.378 1
1 165 . 19 1 1 A 24 24 ARG H H 24 7.280 7.195 0.085 1
1 166 . 19 1 1 A 24 24 ARG CA C 24 53.903 54.548 -0.645 1
1 167 . 19 1 1 A 24 24 ARG HA H 24 4.647 4.284 0.363 1
1 168 . 19 1 1 A 24 24 ARG CB C 24 33.063 30.896 2.167 1
1 177 . 19 1 1 A 25 25 HIS N N 25 112.630 123.016 -10.386 1
1 178 . 19 1 1 A 25 25 HIS H H 25 8.702 8.886 -0.184 1
1 179 . 19 1 1 A 25 25 HIS CA C 25 60.282 60.521 -0.239 1
1 180 . 19 1 1 A 25 25 HIS HA H 25 3.275 3.780 -0.505 1
1 181 . 19 1 1 A 25 25 HIS CB C 25 30.569 30.546 0.023 1
1 188 . 19 1 1 A 26 26 SER CA C 26 61.201 61.339 -0.138 1
1 189 . 19 1 1 A 26 26 SER HA H 26 3.832 4.084 -0.252 1
1 190 . 19 1 1 A 26 26 SER CB C 26 61.402 62.163 -0.761 1
1 192 . 19 1 1 A 26 26 SER C C 26 176.998 176.967 0.031 1
1 194 . 19 1 1 A 27 27 HIS N N 27 120.791 118.780 2.011 1
1 195 . 19 1 1 A 27 27 HIS H H 27 6.716 8.117 -1.401 1
1 196 . 19 1 1 A 27 27 HIS CA C 27 56.885 58.589 -1.704 1
1 197 . 19 1 1 A 27 27 HIS HA H 27 4.438 4.106 0.332 1
1 198 . 19 1 1 A 27 27 HIS CB C 27 31.710 29.697 2.013 1
1 204 . 19 1 1 A 27 27 HIS C C 27 178.259 177.172 1.087 1
1 206 . 19 1 1 A 28 28 LEU N N 28 121.891 120.042 1.849 1
1 207 . 19 1 1 A 28 28 LEU H H 28 7.048 7.522 -0.474 1
1 208 . 19 1 1 A 28 28 LEU CA C 28 57.858 57.949 -0.091 1
1 209 . 19 1 1 A 28 28 LEU HA H 28 3.316 3.281 0.035 1
1 210 . 19 1 1 A 28 28 LEU CB C 28 40.235 41.952 -1.717 1
1 222 . 19 1 1 A 28 28 LEU C C 28 177.276 178.347 -1.071 1
1 224 . 19 1 1 A 29 29 ILE N N 29 118.247 119.638 -1.391 1
1 225 . 19 1 1 A 29 29 ILE H H 29 7.890 7.748 0.142 1
1 226 . 19 1 1 A 29 29 ILE CA C 29 63.737 65.481 -1.744 1
1 227 . 19 1 1 A 29 29 ILE HA H 29 3.547 3.474 0.073 1
1 228 . 19 1 1 A 29 29 ILE CB C 29 36.186 37.751 -1.565 1
1 240 . 19 1 1 A 29 29 ILE C C 29 178.830 177.716 1.114 1
1 242 . 19 1 1 A 30 30 GLU N N 30 117.991 119.121 -1.130 1
1 243 . 19 1 1 A 30 30 GLU H H 30 7.499 8.294 -0.795 1
1 244 . 19 1 1 A 30 30 GLU CA C 30 59.104 59.651 -0.547 1
1 245 . 19 1 1 A 30 30 GLU HA H 30 3.959 3.885 0.074 1
1 246 . 19 1 1 A 30 30 GLU CB C 30 29.435 29.180 0.255 1
1 250 . 19 1 1 A 30 30 GLU C C 30 178.622 178.996 -0.374 1
1 253 . 19 1 1 A 31 31 HIS N N 31 119.737 120.244 -0.507 1
1 254 . 19 1 1 A 31 31 HIS H H 31 7.541 7.515 0.026 1
1 255 . 19 1 1 A 31 31 HIS CA C 31 59.599 59.504 0.095 1
1 256 . 19 1 1 A 31 31 HIS HA H 31 4.113 3.997 0.116 1
1 257 . 19 1 1 A 31 31 HIS CB C 31 28.503 29.429 -0.926 1
1 263 . 19 1 1 A 31 31 HIS C C 31 177.036 176.723 0.313 1
1 265 . 19 1 1 A 32 32 LEU N N 32 118.963 118.825 0.138 1
1 266 . 19 1 1 A 32 32 LEU H H 32 8.669 8.368 0.301 1
1 267 . 19 1 1 A 32 32 LEU CA C 32 58.231 57.753 0.478 1
1 268 . 19 1 1 A 32 32 LEU HA H 32 3.868 3.531 0.337 1
1 269 . 19 1 1 A 32 32 LEU CB C 32 41.914 41.319 0.595 1
1 281 . 19 1 1 A 32 32 LEU C C 32 179.605 178.887 0.718 1
1 283 . 19 1 1 A 33 33 LYS N N 33 117.980 117.902 0.078 1
1 284 . 19 1 1 A 33 33 LYS H H 33 7.426 7.998 -0.572 1
1 285 . 19 1 1 A 33 33 LYS CA C 33 59.259 60.403 -1.144 1
1 286 . 19 1 1 A 33 33 LYS HA H 33 3.964 3.930 0.034 1
1 287 . 19 1 1 A 33 33 LYS CB C 33 32.436 32.030 0.406 1
1 295 . 19 1 1 A 33 33 LYS C C 33 178.878 179.274 -0.396 1
1 300 . 19 1 1 A 34 34 ARG N N 34 117.379 119.073 -1.694 1
1 301 . 19 1 1 A 34 34 ARG H H 34 7.659 7.446 0.213 1
1 302 . 19 1 1 A 34 34 ARG CA C 34 57.923 59.641 -1.718 1
1 303 . 19 1 1 A 34 34 ARG HA H 34 4.030 3.856 0.174 1
1 304 . 19 1 1 A 34 34 ARG CB C 34 29.157 29.802 -0.645 1
1 310 . 19 1 1 A 34 34 ARG C C 34 178.055 178.843 -0.788 1
1 314 . 19 1 1 A 35 35 HIS N N 35 115.913 118.398 -2.485 1
1 315 . 19 1 1 A 35 35 HIS H H 35 7.257 7.767 -0.510 1
1 316 . 19 1 1 A 35 35 HIS CA C 35 56.578 58.881 -2.303 1
1 317 . 19 1 1 A 35 35 HIS HA H 35 4.629 4.339 0.290 1
1 318 . 19 1 1 A 35 35 HIS CB C 35 28.654 29.785 -1.131 1
1 324 . 19 1 1 A 35 35 HIS C C 35 175.953 176.578 -0.625 1
1 326 . 19 1 1 A 36 36 PHE N N 36 119.384 119.289 0.095 1
1 327 . 19 1 1 A 36 36 PHE H H 36 7.760 7.801 -0.041 1
1 328 . 19 1 1 A 36 36 PHE CA C 36 58.890 56.033 2.857 1
1 329 . 19 1 1 A 36 36 PHE HA H 36 4.543 4.490 0.053 1
1 330 . 19 1 1 A 36 36 PHE CB C 36 39.026 37.448 1.578 1
1 342 . 19 1 1 A 36 36 PHE C C 36 176.549 174.495 2.054 1
1 344 . 19 1 1 A 37 37 ARG N N 37 121.608 122.914 -1.306 1
1 345 . 19 1 1 A 37 37 ARG H H 37 8.099 7.423 0.676 1
1 346 . 19 1 1 A 37 37 ARG CA C 37 56.871 55.420 1.451 1
1 347 . 19 1 1 A 37 37 ARG HA H 37 4.231 4.650 -0.419 1
1 348 . 19 1 1 A 37 37 ARG CB C 37 30.858 34.226 -3.368 1
1 354 . 19 1 1 A 37 37 ARG C C 37 176.808 173.664 3.144 1
1 358 . 19 1 1 A 38 38 GLU N N 38 120.749 124.915 -4.166 1
1 359 . 19 1 1 A 38 38 GLU H H 38 8.205 8.525 -0.320 1
1 360 . 19 1 1 A 38 38 GLU CA C 38 57.166 55.723 1.443 1
1 361 . 19 1 1 A 38 38 GLU HA H 38 4.194 4.509 -0.315 1
1 362 . 19 1 1 A 38 38 GLU CB C 38 30.047 30.887 -0.840 1
1 366 . 19 1 1 A 38 38 GLU C C 38 176.985 177.103 -0.118 1
1 369 . 19 1 1 A 39 39 LYS N N 39 121.011 122.519 -1.508 1
1 370 . 19 1 1 A 39 39 LYS H H 39 8.130 8.473 -0.343 1
1 371 . 19 1 1 A 39 39 LYS CA C 39 56.734 55.669 1.065 1
1 372 . 19 1 1 A 39 39 LYS HA H 39 4.315 4.656 -0.341 1
1 373 . 19 1 1 A 39 39 LYS CB C 39 32.934 32.603 0.331 1
1 381 . 19 1 1 A 39 39 LYS C C 39 176.838 176.584 0.254 1
1 386 . 19 1 1 A 40 40 SER N N 40 116.295 116.549 -0.254 1
1 387 . 19 1 1 A 40 40 SER H H 40 8.203 7.920 0.283 1
1 388 . 19 1 1 A 40 40 SER CA C 40 58.413 57.596 0.817 1
1 389 . 19 1 1 A 40 40 SER HA H 40 4.474 4.483 -0.009 1
1 390 . 19 1 1 A 40 40 SER CB C 40 63.797 61.495 2.302 1
1 392 . 19 1 1 A 40 40 SER C C 40 174.559 172.823 1.736 1
1 394 . 19 1 1 A 41 41 SER N N 41 117.522 118.877 -1.355 1
1 395 . 19 1 1 A 41 41 SER H H 41 8.267 8.102 0.165 1
1 396 . 19 1 1 A 41 41 SER CA C 41 58.400 56.919 1.481 1
1 397 . 19 1 1 A 41 41 SER HA H 41 4.488 4.754 -0.266 1
1 398 . 19 1 1 A 41 41 SER CB C 41 64.016 63.949 0.067 1
1 400 . 19 1 1 A 41 41 SER C C 41 174.474 174.802 -0.328 1
1 402 . 19 1 1 A 42 42 GLY N N 42 110.551 115.572 -5.021 1
1 403 . 19 1 1 A 42 42 GLY H H 42 8.215 8.411 -0.196 1
1 404 . 19 1 1 A 42 42 GLY CA C 42 44.645 46.664 -2.019 1
1 405 . 19 1 1 A 42 42 GLY HA3 H 42 4.143 3.982 0.161 1
1 406 . 19 1 1 A 42 42 GLY C C 42 171.741 175.356 -3.615 1
1 407 . 19 1 1 A 42 42 GLY HA2 H 42 4.143 3.981 0.162 1
1 408 . 19 1 1 A 43 43 PRO CA C 43 63.271 64.120 -0.849 1
1 409 . 19 1 1 A 43 43 PRO HA H 43 4.488 4.527 -0.039 1
1 410 . 19 1 1 A 43 43 PRO CB C 43 32.184 31.533 0.651 1
1 416 . 19 1 1 A 43 43 PRO C C 43 177.380 175.980 1.400 1
1 420 . 19 1 1 A 44 44 SER N N 44 116.453 111.799 4.654 1
1 421 . 19 1 1 A 44 44 SER H H 44 8.540 8.007 0.533 1
1 1 . 20 1 1 A 8 8 SER CA C 8 58.454 58.504 -0.050 1
1 2 . 20 1 1 A 8 8 SER HA H 8 4.440 4.672 -0.232 1
1 3 . 20 1 1 A 8 8 SER CB C 8 63.904 64.161 -0.257 1
1 5 . 20 1 1 A 8 8 SER C C 8 175.126 174.536 0.590 1
1 7 . 20 1 1 A 9 9 GLY N N 9 110.864 107.976 2.888 1
1 8 . 20 1 1 A 9 9 GLY H H 9 8.493 7.317 1.176 1
1 9 . 20 1 1 A 9 9 GLY CA C 9 45.376 45.359 0.017 1
1 10 . 20 1 1 A 9 9 GLY C C 9 174.128 174.385 -0.257 1
1 11 . 20 1 1 A 9 9 GLY HA2 H 9 3.960 4.052 -0.092 1
1 12 . 20 1 1 A 10 10 GLU N N 10 120.050 119.608 0.442 1
1 13 . 20 1 1 A 10 10 GLU H H 10 8.255 8.775 -0.520 1
1 14 . 20 1 1 A 10 10 GLU CA C 10 56.893 58.499 -1.606 1
1 15 . 20 1 1 A 10 10 GLU HA H 10 4.236 4.183 0.053 1
1 16 . 20 1 1 A 10 10 GLU CB C 10 30.417 30.505 -0.088 1
1 20 . 20 1 1 A 10 10 GLU C C 10 176.477 177.048 -0.571 1
1 23 . 20 1 1 A 11 11 ARG N N 11 121.287 118.919 2.368 1
1 24 . 20 1 1 A 11 11 ARG H H 11 8.311 7.507 0.804 1
1 25 . 20 1 1 A 11 11 ARG CA C 11 53.586 53.408 0.178 1
1 26 . 20 1 1 A 11 11 ARG HA H 11 4.588 4.514 0.074 1
1 27 . 20 1 1 A 11 11 ARG CB C 11 30.618 30.388 0.230 1
1 33 . 20 1 1 A 11 11 ARG C C 11 173.631 175.903 -2.272 1
1 37 . 20 1 1 A 12 12 PRO CA C 12 63.542 64.337 -0.795 1
1 38 . 20 1 1 A 12 12 PRO HA H 12 4.349 4.330 0.019 1
1 39 . 20 1 1 A 12 12 PRO CB C 12 32.216 31.549 0.667 1
1 45 . 20 1 1 A 12 12 PRO C C 12 176.387 176.398 -0.011 1
1 49 . 20 1 1 A 13 13 TYR N N 13 119.060 116.637 2.423 1
1 50 . 20 1 1 A 13 13 TYR H H 13 8.102 7.839 0.263 1
1 51 . 20 1 1 A 13 13 TYR CA C 13 56.965 57.381 -0.416 1
1 52 . 20 1 1 A 13 13 TYR HA H 13 4.754 4.813 -0.059 1
1 53 . 20 1 1 A 13 13 TYR CB C 13 38.432 37.806 0.626 1
1 63 . 20 1 1 A 13 13 TYR C C 13 175.135 176.220 -1.085 1
1 65 . 20 1 1 A 14 14 GLY N N 14 111.562 108.152 3.410 1
1 66 . 20 1 1 A 14 14 GLY H H 14 8.513 7.633 0.880 1
1 67 . 20 1 1 A 14 14 GLY CA C 14 45.058 45.764 -0.706 1
1 68 . 20 1 1 A 14 14 GLY HA3 H 14 4.932 3.950 0.982 1
1 69 . 20 1 1 A 14 14 GLY C C 14 172.508 172.588 -0.080 1
1 70 . 20 1 1 A 14 14 GLY HA2 H 14 3.638 3.949 -0.311 1
1 71 . 20 1 1 A 15 15 CYS N N 15 124.194 125.773 -1.579 1
1 72 . 20 1 1 A 15 15 CYS H H 15 9.008 8.930 0.078 1
1 73 . 20 1 1 A 15 15 CYS CA C 15 58.959 58.872 0.087 1
1 74 . 20 1 1 A 15 15 CYS HA H 15 4.695 4.645 0.050 1
1 75 . 20 1 1 A 15 15 CYS CB C 15 30.119 28.756 1.363 1
1 77 . 20 1 1 A 15 15 CYS C C 15 177.447 175.634 1.813 1
1 79 . 20 1 1 A 16 16 ASN N N 16 129.997 127.672 2.325 1
1 80 . 20 1 1 A 16 16 ASN H H 16 9.480 9.129 0.351 1
1 81 . 20 1 1 A 16 16 ASN CA C 16 55.267 56.816 -1.549 1
1 82 . 20 1 1 A 16 16 ASN HA H 16 4.625 4.359 0.266 1
1 83 . 20 1 1 A 16 16 ASN CB C 16 38.516 38.428 0.088 1
1 88 . 20 1 1 A 16 16 ASN C C 16 175.463 177.028 -1.565 1
1 90 . 20 1 1 A 17 17 GLU N N 17 121.690 117.425 4.265 1
1 91 . 20 1 1 A 17 17 GLU H H 17 9.024 8.071 0.953 1
1 92 . 20 1 1 A 17 17 GLU CA C 17 58.253 59.081 -0.828 1
1 93 . 20 1 1 A 17 17 GLU HA H 17 4.239 3.915 0.324 1
1 94 . 20 1 1 A 17 17 GLU CB C 17 29.490 29.195 0.295 1
1 98 . 20 1 1 A 17 17 GLU C C 17 177.355 177.448 -0.093 1
1 101 . 20 1 1 A 18 18 CYS N N 18 115.999 114.866 1.133 1
1 102 . 20 1 1 A 18 18 CYS H H 18 8.351 7.696 0.655 1
1 103 . 20 1 1 A 18 18 CYS CA C 18 58.536 59.521 -0.985 1
1 104 . 20 1 1 A 18 18 CYS HA H 18 5.170 4.624 0.546 1
1 105 . 20 1 1 A 18 18 CYS CB C 18 32.295 29.992 2.303 1
1 107 . 20 1 1 A 18 18 CYS C C 18 176.224 175.761 0.463 1
1 109 . 20 1 1 A 19 19 GLY N N 19 112.718 110.049 2.669 1
1 110 . 20 1 1 A 19 19 GLY H H 19 8.032 8.291 -0.259 1
1 111 . 20 1 1 A 19 19 GLY CA C 19 46.253 45.028 1.225 1
1 112 . 20 1 1 A 19 19 GLY HA3 H 19 4.228 4.041 0.187 1
1 113 . 20 1 1 A 19 19 GLY C C 19 174.201 174.112 0.089 1
1 114 . 20 1 1 A 19 19 GLY HA2 H 19 3.901 4.039 -0.138 1
1 115 . 20 1 1 A 20 20 LYS N N 20 122.353 119.950 2.403 1
1 116 . 20 1 1 A 20 20 LYS H H 20 7.856 7.250 0.606 1
1 117 . 20 1 1 A 20 20 LYS CA C 20 57.657 55.382 2.275 1
1 118 . 20 1 1 A 20 20 LYS HA H 20 4.043 4.187 -0.144 1
1 119 . 20 1 1 A 20 20 LYS CB C 20 34.015 32.845 1.170 1
1 127 . 20 1 1 A 20 20 LYS C C 20 173.954 175.137 -1.183 1
1 132 . 20 1 1 A 21 21 ASN N N 21 117.851 119.878 -2.027 1
1 133 . 20 1 1 A 21 21 ASN H H 21 7.905 8.664 -0.759 1
1 134 . 20 1 1 A 21 21 ASN CA C 21 51.903 51.231 0.672 1
1 135 . 20 1 1 A 21 21 ASN HA H 21 5.337 5.581 -0.244 1
1 136 . 20 1 1 A 21 21 ASN CB C 21 41.671 41.299 0.372 1
1 141 . 20 1 1 A 21 21 ASN C C 21 174.118 173.732 0.386 1
1 143 . 20 1 1 A 22 22 PHE N N 22 117.132 118.816 -1.684 1
1 144 . 20 1 1 A 22 22 PHE H H 22 8.604 8.804 -0.200 1
1 145 . 20 1 1 A 22 22 PHE CA C 22 57.519 56.070 1.449 1
1 146 . 20 1 1 A 22 22 PHE HA H 22 4.753 4.930 -0.177 1
1 147 . 20 1 1 A 22 22 PHE CB C 22 43.604 40.557 3.047 1
1 159 . 20 1 1 A 22 22 PHE C C 22 175.478 176.519 -1.041 1
1 161 . 20 1 1 A 23 23 GLY CA C 23 45.805 47.303 -1.498 1
1 162 . 20 1 1 A 23 23 GLY HA3 H 23 4.493 4.124 0.369 1
1 163 . 20 1 1 A 23 23 GLY HA2 H 23 4.065 3.944 0.121 1
1 164 . 20 1 1 A 24 24 ARG N N 24 115.504 120.452 -4.948 1
1 165 . 20 1 1 A 24 24 ARG H H 24 7.280 7.624 -0.344 1
1 166 . 20 1 1 A 24 24 ARG CA C 24 53.903 54.680 -0.777 1
1 167 . 20 1 1 A 24 24 ARG HA H 24 4.647 4.414 0.233 1
1 168 . 20 1 1 A 24 24 ARG CB C 24 33.063 31.545 1.518 1
1 177 . 20 1 1 A 25 25 HIS N N 25 112.630 122.907 -10.277 1
1 178 . 20 1 1 A 25 25 HIS H H 25 8.702 9.005 -0.303 1
1 179 . 20 1 1 A 25 25 HIS CA C 25 60.282 59.825 0.457 1
1 180 . 20 1 1 A 25 25 HIS HA H 25 3.275 3.778 -0.503 1
1 181 . 20 1 1 A 25 25 HIS CB C 25 30.569 30.002 0.567 1
1 188 . 20 1 1 A 26 26 SER CA C 26 61.201 62.601 -1.400 1
1 189 . 20 1 1 A 26 26 SER HA H 26 3.832 4.060 -0.228 1
1 190 . 20 1 1 A 26 26 SER CB C 26 61.402 62.740 -1.338 1
1 192 . 20 1 1 A 26 26 SER C C 26 176.998 176.243 0.755 1
1 194 . 20 1 1 A 27 27 HIS N N 27 120.791 121.304 -0.513 1
1 195 . 20 1 1 A 27 27 HIS H H 27 6.716 8.117 -1.401 1
1 196 . 20 1 1 A 27 27 HIS CA C 27 56.885 59.727 -2.842 1
1 197 . 20 1 1 A 27 27 HIS HA H 27 4.438 3.923 0.515 1
1 198 . 20 1 1 A 27 27 HIS CB C 27 31.710 29.606 2.104 1
1 204 . 20 1 1 A 27 27 HIS C C 27 178.259 176.432 1.827 1
1 206 . 20 1 1 A 28 28 LEU N N 28 121.891 119.462 2.429 1
1 207 . 20 1 1 A 28 28 LEU H H 28 7.048 7.425 -0.377 1
1 208 . 20 1 1 A 28 28 LEU CA C 28 57.858 58.257 -0.399 1
1 209 . 20 1 1 A 28 28 LEU HA H 28 3.316 3.439 -0.123 1
1 210 . 20 1 1 A 28 28 LEU CB C 28 40.235 41.407 -1.172 1
1 222 . 20 1 1 A 28 28 LEU C C 28 177.276 178.539 -1.263 1
1 224 . 20 1 1 A 29 29 ILE N N 29 118.247 119.756 -1.509 1
1 225 . 20 1 1 A 29 29 ILE H H 29 7.890 7.919 -0.029 1
1 226 . 20 1 1 A 29 29 ILE CA C 29 63.737 65.485 -1.748 1
1 227 . 20 1 1 A 29 29 ILE HA H 29 3.547 3.532 0.015 1
1 228 . 20 1 1 A 29 29 ILE CB C 29 36.186 37.704 -1.518 1
1 240 . 20 1 1 A 29 29 ILE C C 29 178.830 177.531 1.299 1
1 242 . 20 1 1 A 30 30 GLU N N 30 117.991 119.255 -1.264 1
1 243 . 20 1 1 A 30 30 GLU H H 30 7.499 8.400 -0.901 1
1 244 . 20 1 1 A 30 30 GLU CA C 30 59.104 59.596 -0.492 1
1 245 . 20 1 1 A 30 30 GLU HA H 30 3.959 3.939 0.020 1
1 246 . 20 1 1 A 30 30 GLU CB C 30 29.435 29.405 0.030 1
1 250 . 20 1 1 A 30 30 GLU C C 30 178.622 179.137 -0.515 1
1 253 . 20 1 1 A 31 31 HIS N N 31 119.737 120.061 -0.324 1
1 254 . 20 1 1 A 31 31 HIS H H 31 7.541 8.001 -0.460 1
1 255 . 20 1 1 A 31 31 HIS CA C 31 59.599 59.521 0.078 1
1 256 . 20 1 1 A 31 31 HIS HA H 31 4.113 4.084 0.029 1
1 257 . 20 1 1 A 31 31 HIS CB C 31 28.503 29.423 -0.920 1
1 263 . 20 1 1 A 31 31 HIS C C 31 177.036 176.857 0.179 1
1 265 . 20 1 1 A 32 32 LEU N N 32 118.963 118.716 0.247 1
1 266 . 20 1 1 A 32 32 LEU H H 32 8.669 8.479 0.190 1
1 267 . 20 1 1 A 32 32 LEU CA C 32 58.231 57.697 0.534 1
1 268 . 20 1 1 A 32 32 LEU HA H 32 3.868 3.496 0.372 1
1 269 . 20 1 1 A 32 32 LEU CB C 32 41.914 41.350 0.564 1
1 281 . 20 1 1 A 32 32 LEU C C 32 179.605 178.914 0.691 1
1 283 . 20 1 1 A 33 33 LYS N N 33 117.980 117.786 0.194 1
1 284 . 20 1 1 A 33 33 LYS H H 33 7.426 7.948 -0.522 1
1 285 . 20 1 1 A 33 33 LYS CA C 33 59.259 60.478 -1.219 1
1 286 . 20 1 1 A 33 33 LYS HA H 33 3.964 4.135 -0.171 1
1 287 . 20 1 1 A 33 33 LYS CB C 33 32.436 32.172 0.264 1
1 295 . 20 1 1 A 33 33 LYS C C 33 178.878 179.389 -0.511 1
1 300 . 20 1 1 A 34 34 ARG N N 34 117.379 119.054 -1.675 1
1 301 . 20 1 1 A 34 34 ARG H H 34 7.659 7.922 -0.263 1
1 302 . 20 1 1 A 34 34 ARG CA C 34 57.923 59.604 -1.681 1
1 303 . 20 1 1 A 34 34 ARG HA H 34 4.030 3.855 0.175 1
1 304 . 20 1 1 A 34 34 ARG CB C 34 29.157 29.724 -0.567 1
1 310 . 20 1 1 A 34 34 ARG C C 34 178.055 178.674 -0.619 1
1 314 . 20 1 1 A 35 35 HIS N N 35 115.913 118.479 -2.566 1
1 315 . 20 1 1 A 35 35 HIS H H 35 7.257 7.605 -0.348 1
1 316 . 20 1 1 A 35 35 HIS CA C 35 56.578 58.826 -2.248 1
1 317 . 20 1 1 A 35 35 HIS HA H 35 4.629 4.131 0.498 1
1 318 . 20 1 1 A 35 35 HIS CB C 35 28.654 29.772 -1.118 1
1 324 . 20 1 1 A 35 35 HIS C C 35 175.953 177.497 -1.544 1
1 326 . 20 1 1 A 36 36 PHE N N 36 119.384 116.788 2.596 1
1 327 . 20 1 1 A 36 36 PHE H H 36 7.760 7.550 0.210 1
1 328 . 20 1 1 A 36 36 PHE CA C 36 58.890 61.123 -2.233 1
1 329 . 20 1 1 A 36 36 PHE HA H 36 4.543 4.184 0.359 1
1 330 . 20 1 1 A 36 36 PHE CB C 36 39.026 39.360 -0.334 1
1 342 . 20 1 1 A 36 36 PHE C C 36 176.549 176.807 -0.258 1
1 344 . 20 1 1 A 37 37 ARG N N 37 121.608 118.188 3.420 1
1 345 . 20 1 1 A 37 37 ARG H H 37 8.099 8.079 0.020 1
1 346 . 20 1 1 A 37 37 ARG CA C 37 56.871 56.862 0.009 1
1 347 . 20 1 1 A 37 37 ARG HA H 37 4.231 4.231 0.000 1
1 348 . 20 1 1 A 37 37 ARG CB C 37 30.858 31.317 -0.459 1
1 354 . 20 1 1 A 37 37 ARG C C 37 176.808 176.343 0.465 1
1 358 . 20 1 1 A 38 38 GLU N N 38 120.749 124.441 -3.692 1
1 359 . 20 1 1 A 38 38 GLU H H 38 8.205 8.920 -0.715 1
1 360 . 20 1 1 A 38 38 GLU CA C 38 57.166 57.361 -0.195 1
1 361 . 20 1 1 A 38 38 GLU HA H 38 4.194 4.548 -0.354 1
1 362 . 20 1 1 A 38 38 GLU CB C 38 30.047 30.969 -0.922 1
1 366 . 20 1 1 A 38 38 GLU C C 38 176.985 176.628 0.357 1
1 369 . 20 1 1 A 39 39 LYS N N 39 121.011 117.370 3.641 1
1 370 . 20 1 1 A 39 39 LYS H H 39 8.130 7.954 0.176 1
1 371 . 20 1 1 A 39 39 LYS CA C 39 56.734 57.134 -0.400 1
1 372 . 20 1 1 A 39 39 LYS HA H 39 4.315 3.829 0.486 1
1 373 . 20 1 1 A 39 39 LYS CB C 39 32.934 29.261 3.673 1
1 381 . 20 1 1 A 39 39 LYS C C 39 176.838 174.987 1.851 1
1 386 . 20 1 1 A 40 40 SER N N 40 116.295 110.790 5.505 1
1 387 . 20 1 1 A 40 40 SER H H 40 8.203 7.473 0.730 1
1 388 . 20 1 1 A 40 40 SER CA C 40 58.413 57.102 1.311 1
1 389 . 20 1 1 A 40 40 SER HA H 40 4.474 4.683 -0.209 1
1 390 . 20 1 1 A 40 40 SER CB C 40 63.797 65.689 -1.892 1
1 392 . 20 1 1 A 40 40 SER C C 40 174.559 173.788 0.771 1
1 394 . 20 1 1 A 41 41 SER N N 41 117.522 116.309 1.213 1
1 395 . 20 1 1 A 41 41 SER H H 41 8.267 9.098 -0.831 1
1 396 . 20 1 1 A 41 41 SER CA C 41 58.400 60.203 -1.803 1
1 397 . 20 1 1 A 41 41 SER HA H 41 4.488 4.400 0.088 1
1 398 . 20 1 1 A 41 41 SER CB C 41 64.016 64.395 -0.379 1
1 400 . 20 1 1 A 41 41 SER C C 41 174.474 174.461 0.013 1
1 402 . 20 1 1 A 42 42 GLY N N 42 110.551 108.073 2.478 1
1 403 . 20 1 1 A 42 42 GLY H H 42 8.215 8.041 0.174 1
1 404 . 20 1 1 A 42 42 GLY CA C 42 44.645 44.950 -0.305 1
1 405 . 20 1 1 A 42 42 GLY HA3 H 42 4.143 3.988 0.155 1
1 406 . 20 1 1 A 42 42 GLY C C 42 171.741 174.323 -2.582 1
1 407 . 20 1 1 A 42 42 GLY HA2 H 42 4.143 3.986 0.157 1
1 408 . 20 1 1 A 43 43 PRO CA C 43 63.271 64.879 -1.608 1
1 409 . 20 1 1 A 43 43 PRO HA H 43 4.488 4.416 0.072 1
1 410 . 20 1 1 A 43 43 PRO CB C 43 32.184 31.690 0.494 1
1 416 . 20 1 1 A 43 43 PRO C C 43 177.380 176.576 0.804 1
1 420 . 20 1 1 A 44 44 SER N N 44 116.453 113.939 2.514 1
1 421 . 20 1 1 A 44 44 SER H H 44 8.540 7.822 0.718 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 33 1.079 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.349 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.231 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.462 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.324 1
6 1 1 1 "RMS(OBS, PRED)" N 32 3.404 1
7 1 2 1 "RMS(OBS, PRED)" C 33 1.171 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.368 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.370 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.552 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.329 1
12 1 2 1 "RMS(OBS, PRED)" N 32 3.487 1
13 1 3 1 "RMS(OBS, PRED)" C 33 1.297 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.493 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.390 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.532 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.356 1
18 1 3 1 "RMS(OBS, PRED)" N 32 3.325 1
19 1 4 1 "RMS(OBS, PRED)" C 33 1.195 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.390 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.256 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.507 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.351 1
24 1 4 1 "RMS(OBS, PRED)" N 32 2.898 1
25 1 5 1 "RMS(OBS, PRED)" C 33 0.981 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.280 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.512 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.552 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.312 1
30 1 5 1 "RMS(OBS, PRED)" N 32 3.281 1
31 1 6 1 "RMS(OBS, PRED)" C 33 1.044 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.108 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.620 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.518 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.322 1
36 1 6 1 "RMS(OBS, PRED)" N 32 2.957 1
37 1 7 1 "RMS(OBS, PRED)" C 33 1.200 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.555 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.203 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.556 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.342 1
42 1 7 1 "RMS(OBS, PRED)" N 32 3.990 1
43 1 8 1 "RMS(OBS, PRED)" C 33 1.223 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.620 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.320 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.562 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.321 1
48 1 8 1 "RMS(OBS, PRED)" N 32 3.325 1
49 1 9 1 "RMS(OBS, PRED)" C 33 1.224 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.593 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.030 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.532 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.311 1
54 1 9 1 "RMS(OBS, PRED)" N 32 2.753 1
55 1 10 1 "RMS(OBS, PRED)" C 33 1.188 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.217 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.229 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.472 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.290 1
60 1 10 1 "RMS(OBS, PRED)" N 32 3.323 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.306 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.373 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.481 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.543 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.380 1
66 1 11 1 "RMS(OBS, PRED)" N 32 3.137 1
67 1 12 1 "RMS(OBS, PRED)" C 33 1.208 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.419 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.199 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.499 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.334 1
72 1 12 1 "RMS(OBS, PRED)" N 32 3.490 1
73 1 13 1 "RMS(OBS, PRED)" C 33 1.228 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.359 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.190 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.540 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.313 1
78 1 13 1 "RMS(OBS, PRED)" N 32 3.521 1
79 1 14 1 "RMS(OBS, PRED)" C 33 1.195 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.417 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.165 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.564 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.293 1
84 1 14 1 "RMS(OBS, PRED)" N 32 3.459 1
85 1 15 1 "RMS(OBS, PRED)" C 33 1.341 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.296 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.390 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.575 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.383 1
90 1 15 1 "RMS(OBS, PRED)" N 32 3.753 1
91 1 16 1 "RMS(OBS, PRED)" C 33 1.157 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.371 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.377 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.548 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.325 1
96 1 16 1 "RMS(OBS, PRED)" N 32 3.315 1
97 1 17 1 "RMS(OBS, PRED)" C 33 1.204 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.366 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.485 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.487 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.385 1
102 1 17 1 "RMS(OBS, PRED)" N 32 3.347 1
103 1 18 1 "RMS(OBS, PRED)" C 33 1.212 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.461 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.383 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.507 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.352 1
108 1 18 1 "RMS(OBS, PRED)" N 32 3.589 1
109 1 19 1 "RMS(OBS, PRED)" C 33 1.353 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.302 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.263 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.543 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.312 1
114 1 19 1 "RMS(OBS, PRED)" N 32 3.773 1
115 1 20 1 "RMS(OBS, PRED)" C 33 1.096 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.268 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.329 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.618 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.304 1
120 1 20 1 "RMS(OBS, PRED)" N 32 3.204 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 SER CA C 8 58.454 58.471 -0.017 2
1 2 . 1 1 A 8 8 SER HA H 8 4.440 4.689 -0.248 2
1 3 . 1 1 A 8 8 SER CB C 8 63.904 64.143 -0.239 2
1 5 . 1 1 A 8 8 SER C C 8 175.126 174.161 0.965 2
1 7 . 1 1 A 9 9 GLY N N 9 110.864 110.310 0.554 2
1 8 . 1 1 A 9 9 GLY H H 9 8.493 8.269 0.224 2
1 9 . 1 1 A 9 9 GLY CA C 9 45.376 45.717 -0.341 2
1 10 . 1 1 A 9 9 GLY C C 9 174.128 173.494 0.634 2
1 11 . 1 1 A 9 9 GLY HA2 H 9 3.960 4.057 -0.097 2
1 12 . 1 1 A 10 10 GLU N N 10 120.050 121.255 -1.206 2
1 13 . 1 1 A 10 10 GLU H H 10 8.255 8.426 -0.171 2
1 14 . 1 1 A 10 10 GLU CA C 10 56.893 56.109 0.784 2
1 15 . 1 1 A 10 10 GLU HA H 10 4.236 4.601 -0.365 2
1 16 . 1 1 A 10 10 GLU CB C 10 30.417 30.768 -0.351 2
1 20 . 1 1 A 10 10 GLU C C 10 176.477 175.832 0.645 2
1 23 . 1 1 A 11 11 ARG N N 11 121.287 122.114 -0.827 2
1 24 . 1 1 A 11 11 ARG H H 11 8.311 8.140 0.171 2
1 25 . 1 1 A 11 11 ARG CA C 11 53.586 54.528 -0.942 2
1 26 . 1 1 A 11 11 ARG HA H 11 4.588 4.604 -0.016 2
1 27 . 1 1 A 11 11 ARG CB C 11 30.618 30.568 0.050 2
1 33 . 1 1 A 11 11 ARG C C 11 173.631 175.921 -2.289 2
1 37 . 1 1 A 12 12 PRO CA C 12 63.542 64.633 -1.091 2
1 38 . 1 1 A 12 12 PRO HA H 12 4.349 4.372 -0.023 2
1 39 . 1 1 A 12 12 PRO CB C 12 32.216 31.606 0.610 2
1 45 . 1 1 A 12 12 PRO C C 12 176.387 176.163 0.224 2
1 49 . 1 1 A 13 13 TYR N N 13 119.060 117.445 1.614 2
1 50 . 1 1 A 13 13 TYR H H 13 8.102 7.870 0.232 2
1 51 . 1 1 A 13 13 TYR CA C 13 56.965 56.958 0.007 2
1 52 . 1 1 A 13 13 TYR HA H 13 4.754 4.882 -0.128 2
1 53 . 1 1 A 13 13 TYR CB C 13 38.432 38.243 0.189 2
1 63 . 1 1 A 13 13 TYR C C 13 175.135 175.694 -0.559 2
1 65 . 1 1 A 14 14 GLY N N 14 111.562 109.678 1.884 2
1 66 . 1 1 A 14 14 GLY H H 14 8.513 8.447 0.066 2
1 67 . 1 1 A 14 14 GLY CA C 14 45.058 45.312 -0.255 2
1 68 . 1 1 A 14 14 GLY HA3 H 14 4.932 4.144 0.788 2
1 69 . 1 1 A 14 14 GLY C C 14 172.508 172.792 -0.284 2
1 70 . 1 1 A 14 14 GLY HA2 H 14 3.638 4.130 -0.492 2
1 71 . 1 1 A 15 15 CYS N N 15 124.194 123.163 1.031 2
1 72 . 1 1 A 15 15 CYS H H 15 9.008 8.659 0.349 2
1 73 . 1 1 A 15 15 CYS CA C 15 58.959 58.805 0.154 2
1 74 . 1 1 A 15 15 CYS HA H 15 4.695 4.801 -0.106 2
1 75 . 1 1 A 15 15 CYS CB C 15 30.119 29.316 0.803 2
1 77 . 1 1 A 15 15 CYS C C 15 177.447 175.382 2.065 2
1 79 . 1 1 A 16 16 ASN N N 16 129.997 125.218 4.779 2
1 80 . 1 1 A 16 16 ASN H H 16 9.480 8.902 0.578 2
1 81 . 1 1 A 16 16 ASN CA C 16 55.267 54.464 0.803 2
1 82 . 1 1 A 16 16 ASN HA H 16 4.625 4.753 -0.128 2
1 83 . 1 1 A 16 16 ASN CB C 16 38.516 38.956 -0.440 2
1 88 . 1 1 A 16 16 ASN C C 16 175.463 176.808 -1.345 2
1 90 . 1 1 A 17 17 GLU N N 17 121.690 119.106 2.584 2
1 91 . 1 1 A 17 17 GLU H H 17 9.024 8.191 0.833 2
1 92 . 1 1 A 17 17 GLU CA C 17 58.253 58.873 -0.620 2
1 93 . 1 1 A 17 17 GLU HA H 17 4.239 4.123 0.116 2
1 94 . 1 1 A 17 17 GLU CB C 17 29.490 30.037 -0.547 2
1 98 . 1 1 A 17 17 GLU C C 17 177.355 177.904 -0.549 2
1 101 . 1 1 A 18 18 CYS N N 18 115.999 114.682 1.317 2
1 102 . 1 1 A 18 18 CYS H H 18 8.351 7.566 0.785 2
1 103 . 1 1 A 18 18 CYS CA C 18 58.536 59.501 -0.965 2
1 104 . 1 1 A 18 18 CYS HA H 18 5.170 4.618 0.552 2
1 105 . 1 1 A 18 18 CYS CB C 18 32.295 29.959 2.336 2
1 107 . 1 1 A 18 18 CYS C C 18 176.224 175.469 0.755 2
1 109 . 1 1 A 19 19 GLY N N 19 112.718 109.959 2.760 2
1 110 . 1 1 A 19 19 GLY H H 19 8.032 8.359 -0.327 2
1 111 . 1 1 A 19 19 GLY CA C 19 46.253 45.813 0.440 2
1 112 . 1 1 A 19 19 GLY HA3 H 19 4.228 4.037 0.191 2
1 113 . 1 1 A 19 19 GLY C C 19 174.201 174.099 0.102 2
1 114 . 1 1 A 19 19 GLY HA2 H 19 3.901 4.031 -0.130 2
1 115 . 1 1 A 20 20 LYS N N 20 122.353 119.649 2.704 2
1 116 . 1 1 A 20 20 LYS H H 20 7.856 7.683 0.173 2
1 117 . 1 1 A 20 20 LYS CA C 20 57.657 54.554 3.103 2
1 118 . 1 1 A 20 20 LYS HA H 20 4.043 4.530 -0.487 2
1 119 . 1 1 A 20 20 LYS CB C 20 34.015 34.857 -0.842 2
1 127 . 1 1 A 20 20 LYS C C 20 173.954 174.979 -1.025 2
1 132 . 1 1 A 21 21 ASN N N 21 117.851 122.070 -4.219 2
1 133 . 1 1 A 21 21 ASN H H 21 7.905 8.472 -0.567 2
1 134 . 1 1 A 21 21 ASN CA C 21 51.903 51.556 0.347 2
1 135 . 1 1 A 21 21 ASN HA H 21 5.337 5.343 -0.006 2
1 136 . 1 1 A 21 21 ASN CB C 21 41.671 40.809 0.862 2
1 141 . 1 1 A 21 21 ASN C C 21 174.118 173.740 0.378 2
1 143 . 1 1 A 22 22 PHE N N 22 117.132 118.168 -1.036 2
1 144 . 1 1 A 22 22 PHE H H 22 8.604 8.710 -0.106 2
1 145 . 1 1 A 22 22 PHE CA C 22 57.519 56.964 0.555 2
1 146 . 1 1 A 22 22 PHE HA H 22 4.753 4.906 -0.153 2
1 147 . 1 1 A 22 22 PHE CB C 22 43.604 43.160 0.444 2
1 159 . 1 1 A 22 22 PHE C C 22 175.478 175.737 -0.259 2
1 161 . 1 1 A 23 23 GLY CA C 23 45.805 45.863 -0.058 2
1 162 . 1 1 A 23 23 GLY HA3 H 23 4.493 4.142 0.351 2
1 163 . 1 1 A 23 23 GLY HA2 H 23 4.065 4.043 0.022 2
1 164 . 1 1 A 24 24 ARG N N 24 115.504 119.477 -3.973 2
1 165 . 1 1 A 24 24 ARG H H 24 7.280 7.512 -0.232 2
1 166 . 1 1 A 24 24 ARG CA C 24 53.903 54.322 -0.419 2
1 167 . 1 1 A 24 24 ARG HA H 24 4.647 4.551 0.096 2
1 168 . 1 1 A 24 24 ARG CB C 24 33.063 32.414 0.649 2
1 177 . 1 1 A 25 25 HIS N N 25 112.630 122.933 -10.303 2
1 178 . 1 1 A 25 25 HIS H H 25 8.702 8.880 -0.178 2
1 179 . 1 1 A 25 25 HIS CA C 25 60.282 59.833 0.449 2
1 180 . 1 1 A 25 25 HIS HA H 25 3.275 3.388 -0.113 2
1 181 . 1 1 A 25 25 HIS CB C 25 30.569 30.219 0.350 2
1 188 . 1 1 A 26 26 SER CA C 26 61.201 61.724 -0.523 2
1 189 . 1 1 A 26 26 SER HA H 26 3.832 3.924 -0.092 2
1 190 . 1 1 A 26 26 SER CB C 26 61.402 62.539 -1.137 2
1 192 . 1 1 A 26 26 SER C C 26 176.998 176.571 0.427 2
1 194 . 1 1 A 27 27 HIS N N 27 120.791 119.594 1.197 2
1 195 . 1 1 A 27 27 HIS H H 27 6.716 8.052 -1.336 2
1 196 . 1 1 A 27 27 HIS CA C 27 56.885 59.043 -2.158 2
1 197 . 1 1 A 27 27 HIS HA H 27 4.438 4.020 0.418 2
1 198 . 1 1 A 27 27 HIS CB C 27 31.710 29.687 2.023 2
1 204 . 1 1 A 27 27 HIS C C 27 178.259 176.835 1.423 2
1 206 . 1 1 A 28 28 LEU N N 28 121.891 119.888 2.003 2
1 207 . 1 1 A 28 28 LEU H H 28 7.048 7.473 -0.425 2
1 208 . 1 1 A 28 28 LEU CA C 28 57.858 57.953 -0.095 2
1 209 . 1 1 A 28 28 LEU HA H 28 3.316 3.481 -0.165 2
1 210 . 1 1 A 28 28 LEU CB C 28 40.235 41.697 -1.462 2
1 222 . 1 1 A 28 28 LEU C C 28 177.276 178.377 -1.101 2
1 224 . 1 1 A 29 29 ILE N N 29 118.247 119.722 -1.475 2
1 225 . 1 1 A 29 29 ILE H H 29 7.890 7.808 0.082 2
1 226 . 1 1 A 29 29 ILE CA C 29 63.737 65.494 -1.757 2
1 227 . 1 1 A 29 29 ILE HA H 29 3.547 3.447 0.100 2
1 228 . 1 1 A 29 29 ILE CB C 29 36.186 37.641 -1.455 2
1 240 . 1 1 A 29 29 ILE C C 29 178.830 177.784 1.046 2
1 242 . 1 1 A 30 30 GLU N N 30 117.991 119.768 -1.777 2
1 243 . 1 1 A 30 30 GLU H H 30 7.499 8.210 -0.711 2
1 244 . 1 1 A 30 30 GLU CA C 30 59.104 59.559 -0.455 2
1 245 . 1 1 A 30 30 GLU HA H 30 3.959 3.854 0.105 2
1 246 . 1 1 A 30 30 GLU CB C 30 29.435 29.333 0.102 2
1 250 . 1 1 A 30 30 GLU C C 30 178.622 178.820 -0.198 2
1 253 . 1 1 A 31 31 HIS N N 31 119.737 119.984 -0.247 2
1 254 . 1 1 A 31 31 HIS H H 31 7.541 7.678 -0.137 2
1 255 . 1 1 A 31 31 HIS CA C 31 59.599 59.576 0.023 2
1 256 . 1 1 A 31 31 HIS HA H 31 4.113 4.075 0.038 2
1 257 . 1 1 A 31 31 HIS CB C 31 28.503 29.678 -1.175 2
1 263 . 1 1 A 31 31 HIS C C 31 177.036 176.779 0.257 2
1 265 . 1 1 A 32 32 LEU N N 32 118.963 118.940 0.023 2
1 266 . 1 1 A 32 32 LEU H H 32 8.669 8.457 0.212 2
1 267 . 1 1 A 32 32 LEU CA C 32 58.231 57.612 0.619 2
1 268 . 1 1 A 32 32 LEU HA H 32 3.868 3.627 0.241 2
1 269 . 1 1 A 32 32 LEU CB C 32 41.914 41.348 0.566 2
1 281 . 1 1 A 32 32 LEU C C 32 179.605 179.004 0.601 2
1 283 . 1 1 A 33 33 LYS N N 33 117.980 118.219 -0.239 2
1 284 . 1 1 A 33 33 LYS H H 33 7.426 7.942 -0.516 2
1 285 . 1 1 A 33 33 LYS CA C 33 59.259 60.264 -1.005 2
1 286 . 1 1 A 33 33 LYS HA H 33 3.964 3.895 0.069 2
1 287 . 1 1 A 33 33 LYS CB C 33 32.436 32.141 0.295 2
1 295 . 1 1 A 33 33 LYS C C 33 178.878 179.279 -0.401 2
1 300 . 1 1 A 34 34 ARG N N 34 117.379 119.159 -1.780 2
1 301 . 1 1 A 34 34 ARG H H 34 7.659 7.748 -0.089 2
1 302 . 1 1 A 34 34 ARG CA C 34 57.923 59.284 -1.361 2
1 303 . 1 1 A 34 34 ARG HA H 34 4.030 3.934 0.096 2
1 304 . 1 1 A 34 34 ARG CB C 34 29.157 29.746 -0.589 2
1 310 . 1 1 A 34 34 ARG C C 34 178.055 178.604 -0.549 2
1 314 . 1 1 A 35 35 HIS N N 35 115.913 118.252 -2.339 2
1 315 . 1 1 A 35 35 HIS H H 35 7.257 7.659 -0.402 2
1 316 . 1 1 A 35 35 HIS CA C 35 56.578 58.517 -1.938 2
1 317 . 1 1 A 35 35 HIS HA H 35 4.629 4.291 0.338 2
1 318 . 1 1 A 35 35 HIS CB C 35 28.654 29.773 -1.119 2
1 324 . 1 1 A 35 35 HIS C C 35 175.953 177.258 -1.305 2
1 326 . 1 1 A 36 36 PHE N N 36 119.384 119.032 0.352 2
1 327 . 1 1 A 36 36 PHE H H 36 7.760 8.145 -0.385 2
1 328 . 1 1 A 36 36 PHE CA C 36 58.890 60.543 -1.653 2
1 329 . 1 1 A 36 36 PHE HA H 36 4.543 4.245 0.298 2
1 330 . 1 1 A 36 36 PHE CB C 36 39.026 39.196 -0.170 2
1 342 . 1 1 A 36 36 PHE C C 36 176.549 176.116 0.433 2
1 344 . 1 1 A 37 37 ARG N N 37 121.608 119.363 2.245 2
1 345 . 1 1 A 37 37 ARG H H 37 8.099 7.836 0.263 2
1 346 . 1 1 A 37 37 ARG CA C 37 56.871 56.414 0.457 2
1 347 . 1 1 A 37 37 ARG HA H 37 4.231 4.329 -0.098 2
1 348 . 1 1 A 37 37 ARG CB C 37 30.858 31.086 -0.228 2
1 354 . 1 1 A 37 37 ARG C C 37 176.808 175.722 1.086 2
1 358 . 1 1 A 38 38 GLU N N 38 120.749 123.368 -2.619 2
1 359 . 1 1 A 38 38 GLU H H 38 8.205 8.565 -0.360 2
1 360 . 1 1 A 38 38 GLU CA C 38 57.166 56.129 1.037 2
1 361 . 1 1 A 38 38 GLU HA H 38 4.194 4.470 -0.276 2
1 362 . 1 1 A 38 38 GLU CB C 38 30.047 30.584 -0.537 2
1 366 . 1 1 A 38 38 GLU C C 38 176.985 176.028 0.957 2
1 369 . 1 1 A 39 39 LYS N N 39 121.011 123.214 -2.203 2
1 370 . 1 1 A 39 39 LYS H H 39 8.130 8.378 -0.248 2
1 371 . 1 1 A 39 39 LYS CA C 39 56.734 56.728 0.006 2
1 372 . 1 1 A 39 39 LYS HA H 39 4.315 4.322 -0.007 2
1 373 . 1 1 A 39 39 LYS CB C 39 32.934 32.743 0.191 2
1 381 . 1 1 A 39 39 LYS C C 39 176.838 176.402 0.436 2
1 386 . 1 1 A 40 40 SER N N 40 116.295 117.081 -0.785 2
1 387 . 1 1 A 40 40 SER H H 40 8.203 8.293 -0.091 2
1 388 . 1 1 A 40 40 SER CA C 40 58.413 58.381 0.032 2
1 389 . 1 1 A 40 40 SER HA H 40 4.474 4.554 -0.080 2
1 390 . 1 1 A 40 40 SER CB C 40 63.797 63.885 -0.088 2
1 392 . 1 1 A 40 40 SER C C 40 174.559 174.147 0.412 2
1 394 . 1 1 A 41 41 SER N N 41 117.522 117.948 -0.426 2
1 395 . 1 1 A 41 41 SER H H 41 8.267 8.351 -0.084 2
1 396 . 1 1 A 41 41 SER CA C 41 58.400 58.911 -0.511 2
1 397 . 1 1 A 41 41 SER HA H 41 4.488 4.526 -0.038 2
1 398 . 1 1 A 41 41 SER CB C 41 64.016 63.847 0.169 2
1 400 . 1 1 A 41 41 SER C C 41 174.474 174.486 -0.012 2
1 402 . 1 1 A 42 42 GLY N N 42 110.551 110.404 0.147 2
1 403 . 1 1 A 42 42 GLY H H 42 8.215 8.211 0.004 2
1 404 . 1 1 A 42 42 GLY CA C 42 44.645 45.650 -1.005 2
1 405 . 1 1 A 42 42 GLY HA3 H 42 4.143 4.036 0.107 2
1 406 . 1 1 A 42 42 GLY C C 42 171.741 173.907 -2.166 2
1 407 . 1 1 A 42 42 GLY HA2 H 42 4.143 4.025 0.118 2
1 408 . 1 1 A 43 43 PRO CA C 43 63.271 63.346 -0.075 2
1 409 . 1 1 A 43 43 PRO HA H 43 4.488 4.533 -0.045 2
1 410 . 1 1 A 43 43 PRO CB C 43 32.184 32.036 0.148 2
1 416 . 1 1 A 43 43 PRO C C 43 177.380 176.317 1.063 2
1 420 . 1 1 A 44 44 SER N N 44 116.453 115.750 0.703 2
1 421 . 1 1 A 44 44 SER H H 44 8.540 8.216 0.324 2
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