data_10192_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10192
_Entry.PDB_ID 2EOQ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.476 45.092 0.384 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.020 4.173 -0.153 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.020 4.173 -0.153 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.552 174.195 0.357 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.807 118.603 -5.796 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.124 8.941 -0.817 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.837 62.914 -1.077 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.310 4.067 0.243 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.739 66.702 3.037 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.300 174.161 1.139 1
1 16 . 1 1 1 A 9 9 GLY N N 9 111.107 111.517 -0.410 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.427 8.440 -0.013 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.215 45.061 0.154 1
1 19 . 1 1 1 A 9 9 GLY HA2 H 9 3.908 4.040 -0.132 1
1 20 . 1 1 1 A 9 9 GLY HA3 H 9 3.908 4.041 -0.133 1
1 21 . 1 1 1 A 9 9 GLY C C 9 174.012 173.785 0.227 1
1 22 . 1 1 1 A 10 10 GLU N N 10 120.447 120.132 0.315 1
1 23 . 1 1 1 A 10 10 GLU H H 10 8.157 8.196 -0.039 1
1 24 . 1 1 1 A 10 10 GLU CA C 10 56.427 54.746 1.681 1
1 25 . 1 1 1 A 10 10 GLU HA H 10 4.192 4.578 -0.386 1
1 26 . 1 1 1 A 10 10 GLU CB C 10 30.579 30.436 0.143 1
1 32 . 1 1 1 A 10 10 GLU C C 10 176.190 176.227 -0.037 1
1 33 . 1 1 1 A 11 11 LYS N N 11 123.159 120.572 2.587 1
1 34 . 1 1 1 A 11 11 LYS H H 11 8.316 8.558 -0.242 1
1 35 . 1 1 1 A 11 11 LYS CA C 11 54.101 54.381 -0.280 1
1 36 . 1 1 1 A 11 11 LYS HA H 11 4.442 4.569 -0.127 1
1 37 . 1 1 1 A 11 11 LYS CB C 11 32.610 31.747 0.863 1
1 49 . 1 1 1 A 11 11 LYS C C 11 174.187 176.584 -2.397 1
1 50 . 1 1 1 A 12 12 PRO CA C 12 63.210 63.825 -0.615 1
1 51 . 1 1 1 A 12 12 PRO HA H 12 4.407 4.318 0.089 1
1 52 . 1 1 1 A 12 12 PRO CB C 12 32.232 31.209 1.023 1
1 61 . 1 1 1 A 12 12 PRO C C 12 176.447 175.699 0.748 1
1 62 . 1 1 1 A 13 13 PHE N N 13 119.708 118.500 1.208 1
1 63 . 1 1 1 A 13 13 PHE H H 13 8.425 7.595 0.830 1
1 64 . 1 1 1 A 13 13 PHE CA C 13 57.386 56.491 0.895 1
1 65 . 1 1 1 A 13 13 PHE HA H 13 4.561 5.308 -0.747 1
1 66 . 1 1 1 A 13 13 PHE CB C 13 40.677 44.247 -3.570 1
1 79 . 1 1 1 A 13 13 PHE C C 13 174.289 174.289 0.000 1
1 80 . 1 1 1 A 14 14 LYS N N 14 124.280 120.416 3.864 1
1 81 . 1 1 1 A 14 14 LYS H H 14 8.599 8.817 -0.218 1
1 82 . 1 1 1 A 14 14 LYS CA C 14 55.128 55.875 -0.747 1
1 83 . 1 1 1 A 14 14 LYS HA H 14 4.876 4.829 0.047 1
1 84 . 1 1 1 A 14 14 LYS CB C 14 35.217 36.832 -1.615 1
1 96 . 1 1 1 A 14 14 LYS C C 14 175.445 174.238 1.207 1
1 97 . 1 1 1 A 15 15 CYS N N 15 126.829 123.646 3.183 1
1 98 . 1 1 1 A 15 15 CYS H H 15 9.153 9.349 -0.196 1
1 99 . 1 1 1 A 15 15 CYS CA C 15 59.229 58.581 0.648 1
1 100 . 1 1 1 A 15 15 CYS HA H 15 4.498 4.823 -0.325 1
1 101 . 1 1 1 A 15 15 CYS CB C 15 29.719 29.438 0.281 1
1 104 . 1 1 1 A 15 15 CYS C C 15 176.812 174.462 2.350 1
1 105 . 1 1 1 A 16 16 ASP N N 16 131.329 123.281 8.048 1
1 106 . 1 1 1 A 16 16 ASP H H 16 9.242 8.974 0.268 1
1 107 . 1 1 1 A 16 16 ASP CA C 16 56.451 54.902 1.549 1
1 108 . 1 1 1 A 16 16 ASP HA H 16 4.402 4.860 -0.458 1
1 109 . 1 1 1 A 16 16 ASP CB C 16 40.727 42.375 -1.648 1
1 112 . 1 1 1 A 16 16 ASP C C 16 176.032 176.964 -0.932 1
1 113 . 1 1 1 A 17 17 ILE N N 17 121.275 118.658 2.617 1
1 114 . 1 1 1 A 17 17 ILE H H 17 8.635 7.704 0.931 1
1 115 . 1 1 1 A 17 17 ILE CA C 17 63.212 63.837 -0.625 1
1 116 . 1 1 1 A 17 17 ILE HA H 17 3.821 3.819 0.002 1
1 117 . 1 1 1 A 17 17 ILE CB C 17 38.137 38.200 -0.063 1
1 130 . 1 1 1 A 17 17 ILE C C 17 177.086 177.674 -0.588 1
1 131 . 1 1 1 A 18 18 CYS N N 18 115.895 114.788 1.107 1
1 132 . 1 1 1 A 18 18 CYS H H 18 8.067 7.905 0.162 1
1 133 . 1 1 1 A 18 18 CYS CA C 18 58.167 58.583 -0.416 1
1 134 . 1 1 1 A 18 18 CYS HA H 18 5.107 4.675 0.432 1
1 135 . 1 1 1 A 18 18 CYS CB C 18 32.381 29.565 2.816 1
1 138 . 1 1 1 A 18 18 CYS C C 18 176.599 176.246 0.353 1
1 139 . 1 1 1 A 19 19 GLY N N 19 113.203 111.194 2.009 1
1 140 . 1 1 1 A 19 19 GLY H H 19 8.004 8.150 -0.146 1
1 141 . 1 1 1 A 19 19 GLY CA C 19 46.439 45.883 0.556 1
1 142 . 1 1 1 A 19 19 GLY HA2 H 19 3.769 3.989 -0.220 1
1 143 . 1 1 1 A 19 19 GLY HA3 H 19 4.167 4.007 0.160 1
1 144 . 1 1 1 A 19 19 GLY C C 19 173.734 174.472 -0.738 1
1 145 . 1 1 1 A 20 20 LYS N N 20 122.356 121.339 1.017 1
1 146 . 1 1 1 A 20 20 LYS H H 20 7.822 7.410 0.412 1
1 147 . 1 1 1 A 20 20 LYS CA C 20 57.737 57.029 0.708 1
1 148 . 1 1 1 A 20 20 LYS HA H 20 4.045 4.208 -0.163 1
1 149 . 1 1 1 A 20 20 LYS CB C 20 33.982 33.651 0.331 1
1 161 . 1 1 1 A 20 20 LYS C C 20 174.356 176.565 -2.209 1
1 162 . 1 1 1 A 21 21 SER N N 21 114.802 117.468 -2.666 1
1 163 . 1 1 1 A 21 21 SER H H 21 7.870 8.264 -0.394 1
1 164 . 1 1 1 A 21 21 SER CA C 21 57.281 56.458 0.823 1
1 165 . 1 1 1 A 21 21 SER HA H 21 5.187 5.493 -0.306 1
1 166 . 1 1 1 A 21 21 SER CB C 21 65.661 65.571 0.090 1
1 169 . 1 1 1 A 21 21 SER C C 21 173.041 173.887 -0.846 1
1 170 . 1 1 1 A 22 22 PHE N N 22 118.519 117.908 0.611 1
1 171 . 1 1 1 A 22 22 PHE H H 22 8.795 8.909 -0.114 1
1 172 . 1 1 1 A 22 22 PHE CA C 22 58.014 56.423 1.591 1
1 173 . 1 1 1 A 22 22 PHE HA H 22 3.364 4.926 -1.562 1
1 174 . 1 1 1 A 22 22 PHE CB C 22 44.178 41.969 2.209 1
1 187 . 1 1 1 A 22 22 PHE C C 22 175.163 175.868 -0.705 1
1 188 . 1 1 1 A 23 23 CYS CA C 23 59.537 61.726 -2.189 1
1 189 . 1 1 1 A 23 23 CYS HA H 23 4.584 4.361 0.223 1
1 190 . 1 1 1 A 23 23 CYS CB C 23 27.668 27.616 0.052 1
1 193 . 1 1 1 A 23 23 CYS C C 23 174.498 175.226 -0.728 1
1 194 . 1 1 1 A 24 24 GLY N N 24 110.238 108.463 1.775 1
1 195 . 1 1 1 A 24 24 GLY H H 24 7.698 8.019 -0.321 1
1 196 . 1 1 1 A 24 24 GLY CA C 24 44.739 44.600 0.139 1
1 197 . 1 1 1 A 24 24 GLY HA2 H 24 4.165 4.156 0.009 1
1 198 . 1 1 1 A 24 24 GLY HA3 H 24 3.964 4.164 -0.200 1
1 199 . 1 1 1 A 24 24 GLY C C 24 172.746 174.335 -1.589 1
1 200 . 1 1 1 A 25 25 ARG N N 25 123.007 124.822 -1.815 1
1 201 . 1 1 1 A 25 25 ARG H H 25 8.249 7.734 0.515 1
1 202 . 1 1 1 A 25 25 ARG CA C 25 58.734 58.927 -0.193 1
1 203 . 1 1 1 A 25 25 ARG HA H 25 3.118 3.281 -0.163 1
1 204 . 1 1 1 A 25 25 ARG CB C 25 29.705 29.452 0.253 1
1 213 . 1 1 1 A 25 25 ARG C C 25 178.108 177.730 0.378 1
1 214 . 1 1 1 A 26 26 SER CA C 26 61.773 61.785 -0.012 1
1 215 . 1 1 1 A 26 26 SER HA H 26 3.836 4.038 -0.202 1
1 216 . 1 1 1 A 26 26 SER CB C 26 61.872 63.003 -1.131 1
1 219 . 1 1 1 A 26 26 SER C C 26 177.394 176.156 1.238 1
1 220 . 1 1 1 A 27 27 ARG N N 27 121.358 120.390 0.968 1
1 221 . 1 1 1 A 27 27 ARG H H 27 7.581 7.591 -0.010 1
1 222 . 1 1 1 A 27 27 ARG CA C 27 58.837 58.146 0.691 1
1 223 . 1 1 1 A 27 27 ARG HA H 27 3.924 4.110 -0.186 1
1 224 . 1 1 1 A 27 27 ARG CB C 27 29.724 30.618 -0.894 1
1 233 . 1 1 1 A 27 27 ARG C C 27 179.126 178.142 0.984 1
1 234 . 1 1 1 A 28 28 LEU N N 28 121.828 120.316 1.512 1
1 235 . 1 1 1 A 28 28 LEU H H 28 7.259 7.544 -0.285 1
1 236 . 1 1 1 A 28 28 LEU CA C 28 57.978 57.884 0.094 1
1 237 . 1 1 1 A 28 28 LEU HA H 28 3.366 2.407 0.959 1
1 238 . 1 1 1 A 28 28 LEU CB C 28 40.695 41.191 -0.496 1
1 251 . 1 1 1 A 28 28 LEU C C 28 177.702 177.917 -0.215 1
1 252 . 1 1 1 A 29 29 ASN N N 29 118.482 115.710 2.772 1
1 253 . 1 1 1 A 29 29 ASN H H 29 8.579 8.416 0.163 1
1 254 . 1 1 1 A 29 29 ASN CA C 29 56.000 56.282 -0.282 1
1 255 . 1 1 1 A 29 29 ASN HA H 29 4.264 4.279 -0.015 1
1 256 . 1 1 1 A 29 29 ASN CB C 29 37.394 37.798 -0.404 1
1 262 . 1 1 1 A 29 29 ASN C C 29 178.386 178.322 0.064 1
1 263 . 1 1 1 A 30 30 ARG N N 30 119.681 118.592 1.089 1
1 264 . 1 1 1 A 30 30 ARG H H 30 7.752 8.125 -0.373 1
1 265 . 1 1 1 A 30 30 ARG CA C 30 58.915 59.605 -0.690 1
1 266 . 1 1 1 A 30 30 ARG HA H 30 4.000 3.972 0.028 1
1 267 . 1 1 1 A 30 30 ARG CB C 30 29.883 29.583 0.300 1
1 276 . 1 1 1 A 30 30 ARG C C 30 178.773 179.202 -0.429 1
1 277 . 1 1 1 A 31 31 HIS N N 31 119.307 120.394 -1.087 1
1 278 . 1 1 1 A 31 31 HIS H H 31 7.577 8.015 -0.438 1
1 279 . 1 1 1 A 31 31 HIS CA C 31 58.939 59.936 -0.997 1
1 280 . 1 1 1 A 31 31 HIS HA H 31 4.111 4.252 -0.141 1
1 281 . 1 1 1 A 31 31 HIS CB C 31 27.639 29.209 -1.570 1
1 288 . 1 1 1 A 31 31 HIS C C 31 176.358 177.898 -1.540 1
1 289 . 1 1 1 A 32 32 SER N N 32 113.043 113.882 -0.839 1
1 290 . 1 1 1 A 32 32 SER H H 32 8.442 8.328 0.114 1
1 291 . 1 1 1 A 32 32 SER CA C 32 62.184 60.952 1.232 1
1 292 . 1 1 1 A 32 32 SER HA H 32 3.814 4.230 -0.416 1
1 293 . 1 1 1 A 32 32 SER CB C 32 63.027 63.128 -0.101 1
1 296 . 1 1 1 A 32 32 SER C C 32 175.520 175.612 -0.092 1
1 297 . 1 1 1 A 33 33 MET N N 33 118.839 119.012 -0.173 1
1 298 . 1 1 1 A 33 33 MET H H 33 7.002 7.864 -0.862 1
1 299 . 1 1 1 A 33 33 MET CA C 33 57.473 57.051 0.422 1
1 300 . 1 1 1 A 33 33 MET HA H 33 4.176 4.501 -0.325 1
1 301 . 1 1 1 A 33 33 MET CB C 33 32.277 32.572 -0.295 1
1 311 . 1 1 1 A 33 33 MET C C 33 178.211 177.896 0.315 1
1 312 . 1 1 1 A 34 34 VAL N N 34 116.464 116.099 0.365 1
1 313 . 1 1 1 A 34 34 VAL H H 34 7.961 7.698 0.263 1
1 314 . 1 1 1 A 34 34 VAL CA C 34 63.927 65.466 -1.539 1
1 315 . 1 1 1 A 34 34 VAL HA H 34 3.845 3.843 0.002 1
1 316 . 1 1 1 A 34 34 VAL CB C 34 30.987 31.064 -0.077 1
1 326 . 1 1 1 A 34 34 VAL C C 34 177.249 177.536 -0.287 1
1 327 . 1 1 1 A 35 35 HIS N N 35 116.579 119.772 -3.193 1
1 328 . 1 1 1 A 35 35 HIS H H 35 7.050 7.939 -0.889 1
1 329 . 1 1 1 A 35 35 HIS CA C 35 55.032 59.146 -4.114 1
1 330 . 1 1 1 A 35 35 HIS HA H 35 4.866 4.331 0.535 1
1 331 . 1 1 1 A 35 35 HIS CB C 35 28.597 30.463 -1.866 1
1 338 . 1 1 1 A 35 35 HIS C C 35 175.442 175.524 -0.082 1
1 339 . 1 1 1 A 36 36 THR N N 36 113.320 112.229 1.091 1
1 340 . 1 1 1 A 36 36 THR H H 36 7.617 7.467 0.150 1
1 341 . 1 1 1 A 36 36 THR CA C 36 62.572 61.209 1.363 1
1 342 . 1 1 1 A 36 36 THR HA H 36 4.228 4.434 -0.206 1
1 343 . 1 1 1 A 36 36 THR CB C 36 69.623 69.238 0.385 1
1 349 . 1 1 1 A 36 36 THR C C 36 174.335 174.357 -0.022 1
1 350 . 1 1 1 A 37 37 ALA N N 37 125.356 125.717 -0.361 1
1 351 . 1 1 1 A 37 37 ALA H H 37 8.086 7.154 0.932 1
1 352 . 1 1 1 A 37 37 ALA CA C 37 52.577 51.202 1.375 1
1 353 . 1 1 1 A 37 37 ALA HA H 37 4.279 4.395 -0.116 1
1 354 . 1 1 1 A 37 37 ALA CB C 37 19.131 17.970 1.161 1
1 358 . 1 1 1 A 37 37 ALA C C 37 177.556 176.227 1.329 1
1 359 . 1 1 1 A 38 38 GLU N N 38 119.877 119.156 0.721 1
1 360 . 1 1 1 A 38 38 GLU H H 38 8.105 8.269 -0.164 1
1 361 . 1 1 1 A 38 38 GLU CA C 38 56.451 54.804 1.647 1
1 362 . 1 1 1 A 38 38 GLU HA H 38 4.163 5.009 -0.846 1
1 363 . 1 1 1 A 38 38 GLU CB C 38 30.357 33.041 -2.684 1
1 369 . 1 1 1 A 38 38 GLU C C 38 176.160 174.514 1.646 1
1 370 . 1 1 1 A 39 39 LYS N N 39 123.534 123.775 -0.241 1
1 371 . 1 1 1 A 39 39 LYS H H 39 8.259 8.891 -0.632 1
1 372 . 1 1 1 A 39 39 LYS CA C 39 54.110 53.720 0.390 1
1 373 . 1 1 1 A 39 39 LYS HA H 39 4.547 4.624 -0.077 1
1 374 . 1 1 1 A 39 39 LYS CB C 39 32.486 32.442 0.044 1
1 386 . 1 1 1 A 39 39 LYS C C 39 174.387 176.477 -2.090 1
1 387 . 1 1 1 A 40 40 PRO CA C 40 63.170 64.891 -1.721 1
1 388 . 1 1 1 A 40 40 PRO HA H 40 4.405 4.359 0.046 1
1 389 . 1 1 1 A 40 40 PRO CB C 40 32.153 32.072 0.081 1
1 398 . 1 1 1 A 41 41 SER N N 41 116.460 114.423 2.037 1
1 399 . 1 1 1 A 41 41 SER H H 41 8.499 8.540 -0.041 1
1 400 . 1 1 1 A 42 42 GLY CA C 42 44.629 44.624 0.005 1
1 401 . 1 1 1 A 42 42 GLY HA2 H 42 4.100 4.059 0.041 1
1 402 . 1 1 1 A 42 42 GLY HA3 H 42 4.051 4.059 -0.008 1
1 403 . 1 1 1 A 43 43 PRO CA C 43 63.255 62.517 0.738 1
1 404 . 1 1 1 A 43 43 PRO HA H 43 4.417 4.567 -0.150 1
1 405 . 1 1 1 A 43 43 PRO CB C 43 32.137 32.712 -0.575 1
1 414 . 1 1 1 A 44 44 SER N N 44 116.517 116.152 0.365 1
1 415 . 1 1 1 A 44 44 SER H H 44 8.453 8.529 -0.076 1
1 416 . 1 1 1 A 44 44 SER CB C 44 61.760 66.333 -4.573 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.476 44.706 0.770 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.020 4.222 -0.202 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.020 4.224 -0.204 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.552 172.216 2.336 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.807 118.210 -5.403 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.124 8.648 -0.524 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.837 60.358 1.479 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.310 4.531 -0.221 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.739 71.569 -1.830 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.300 173.692 1.608 1
1 16 . 2 1 1 A 9 9 GLY N N 9 111.107 115.274 -4.167 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.427 8.626 -0.199 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.215 44.887 0.328 1
1 19 . 2 1 1 A 9 9 GLY HA2 H 9 3.908 4.043 -0.135 1
1 20 . 2 1 1 A 9 9 GLY HA3 H 9 3.908 4.043 -0.135 1
1 21 . 2 1 1 A 9 9 GLY C C 9 174.012 173.694 0.318 1
1 22 . 2 1 1 A 10 10 GLU N N 10 120.447 121.392 -0.945 1
1 23 . 2 1 1 A 10 10 GLU H H 10 8.157 8.476 -0.319 1
1 24 . 2 1 1 A 10 10 GLU CA C 10 56.427 55.123 1.304 1
1 25 . 2 1 1 A 10 10 GLU HA H 10 4.192 4.981 -0.789 1
1 26 . 2 1 1 A 10 10 GLU CB C 10 30.579 32.165 -1.586 1
1 32 . 2 1 1 A 10 10 GLU C C 10 176.190 175.777 0.413 1
1 33 . 2 1 1 A 11 11 LYS N N 11 123.159 121.564 1.595 1
1 34 . 2 1 1 A 11 11 LYS H H 11 8.316 8.791 -0.475 1
1 35 . 2 1 1 A 11 11 LYS CA C 11 54.101 54.074 0.027 1
1 36 . 2 1 1 A 11 11 LYS HA H 11 4.442 4.610 -0.168 1
1 37 . 2 1 1 A 11 11 LYS CB C 11 32.610 31.959 0.651 1
1 49 . 2 1 1 A 11 11 LYS C C 11 174.187 176.423 -2.236 1
1 50 . 2 1 1 A 12 12 PRO CA C 12 63.210 63.893 -0.683 1
1 51 . 2 1 1 A 12 12 PRO HA H 12 4.407 4.301 0.106 1
1 52 . 2 1 1 A 12 12 PRO CB C 12 32.232 31.221 1.011 1
1 61 . 2 1 1 A 12 12 PRO C C 12 176.447 175.695 0.752 1
1 62 . 2 1 1 A 13 13 PHE N N 13 119.708 118.511 1.197 1
1 63 . 2 1 1 A 13 13 PHE H H 13 8.425 7.593 0.832 1
1 64 . 2 1 1 A 13 13 PHE CA C 13 57.386 56.481 0.905 1
1 65 . 2 1 1 A 13 13 PHE HA H 13 4.561 5.308 -0.747 1
1 66 . 2 1 1 A 13 13 PHE CB C 13 40.677 44.262 -3.585 1
1 79 . 2 1 1 A 13 13 PHE C C 13 174.289 174.288 0.001 1
1 80 . 2 1 1 A 14 14 LYS N N 14 124.280 120.196 4.084 1
1 81 . 2 1 1 A 14 14 LYS H H 14 8.599 8.823 -0.224 1
1 82 . 2 1 1 A 14 14 LYS CA C 14 55.128 55.939 -0.811 1
1 83 . 2 1 1 A 14 14 LYS HA H 14 4.876 4.831 0.045 1
1 84 . 2 1 1 A 14 14 LYS CB C 14 35.217 36.759 -1.542 1
1 96 . 2 1 1 A 14 14 LYS C C 14 175.445 174.245 1.200 1
1 97 . 2 1 1 A 15 15 CYS N N 15 126.829 123.652 3.177 1
1 98 . 2 1 1 A 15 15 CYS H H 15 9.153 9.362 -0.209 1
1 99 . 2 1 1 A 15 15 CYS CA C 15 59.229 58.767 0.462 1
1 100 . 2 1 1 A 15 15 CYS HA H 15 4.498 4.815 -0.317 1
1 101 . 2 1 1 A 15 15 CYS CB C 15 29.719 29.444 0.275 1
1 104 . 2 1 1 A 15 15 CYS C C 15 176.812 174.520 2.292 1
1 105 . 2 1 1 A 16 16 ASP N N 16 131.329 123.335 7.994 1
1 106 . 2 1 1 A 16 16 ASP H H 16 9.242 8.946 0.296 1
1 107 . 2 1 1 A 16 16 ASP CA C 16 56.451 54.853 1.598 1
1 108 . 2 1 1 A 16 16 ASP HA H 16 4.402 4.855 -0.453 1
1 109 . 2 1 1 A 16 16 ASP CB C 16 40.727 42.276 -1.549 1
1 112 . 2 1 1 A 16 16 ASP C C 16 176.032 176.862 -0.830 1
1 113 . 2 1 1 A 17 17 ILE N N 17 121.275 118.492 2.783 1
1 114 . 2 1 1 A 17 17 ILE H H 17 8.635 7.182 1.453 1
1 115 . 2 1 1 A 17 17 ILE CA C 17 63.212 63.655 -0.443 1
1 116 . 2 1 1 A 17 17 ILE HA H 17 3.821 3.805 0.016 1
1 117 . 2 1 1 A 17 17 ILE CB C 17 38.137 38.194 -0.057 1
1 130 . 2 1 1 A 17 17 ILE C C 17 177.086 177.666 -0.580 1
1 131 . 2 1 1 A 18 18 CYS N N 18 115.895 115.098 0.797 1
1 132 . 2 1 1 A 18 18 CYS H H 18 8.067 7.907 0.160 1
1 133 . 2 1 1 A 18 18 CYS CA C 18 58.167 58.590 -0.423 1
1 134 . 2 1 1 A 18 18 CYS HA H 18 5.107 4.689 0.418 1
1 135 . 2 1 1 A 18 18 CYS CB C 18 32.381 29.761 2.620 1
1 138 . 2 1 1 A 18 18 CYS C C 18 176.599 176.264 0.335 1
1 139 . 2 1 1 A 19 19 GLY N N 19 113.203 111.318 1.885 1
1 140 . 2 1 1 A 19 19 GLY H H 19 8.004 8.148 -0.144 1
1 141 . 2 1 1 A 19 19 GLY CA C 19 46.439 45.812 0.627 1
1 142 . 2 1 1 A 19 19 GLY HA2 H 19 3.769 3.983 -0.214 1
1 143 . 2 1 1 A 19 19 GLY HA3 H 19 4.167 4.001 0.166 1
1 144 . 2 1 1 A 19 19 GLY C C 19 173.734 174.545 -0.811 1
1 145 . 2 1 1 A 20 20 LYS N N 20 122.356 121.230 1.126 1
1 146 . 2 1 1 A 20 20 LYS H H 20 7.822 7.403 0.419 1
1 147 . 2 1 1 A 20 20 LYS CA C 20 57.737 57.143 0.594 1
1 148 . 2 1 1 A 20 20 LYS HA H 20 4.045 4.207 -0.162 1
1 149 . 2 1 1 A 20 20 LYS CB C 20 33.982 33.599 0.383 1
1 161 . 2 1 1 A 20 20 LYS C C 20 174.356 176.615 -2.259 1
1 162 . 2 1 1 A 21 21 SER N N 21 114.802 117.404 -2.602 1
1 163 . 2 1 1 A 21 21 SER H H 21 7.870 8.250 -0.380 1
1 164 . 2 1 1 A 21 21 SER CA C 21 57.281 56.446 0.835 1
1 165 . 2 1 1 A 21 21 SER HA H 21 5.187 5.487 -0.300 1
1 166 . 2 1 1 A 21 21 SER CB C 21 65.661 65.566 0.095 1
1 169 . 2 1 1 A 21 21 SER C C 21 173.041 173.858 -0.817 1
1 170 . 2 1 1 A 22 22 PHE N N 22 118.519 117.912 0.607 1
1 171 . 2 1 1 A 22 22 PHE H H 22 8.795 8.843 -0.048 1
1 172 . 2 1 1 A 22 22 PHE CA C 22 58.014 56.428 1.586 1
1 173 . 2 1 1 A 22 22 PHE HA H 22 3.364 4.930 -1.566 1
1 174 . 2 1 1 A 22 22 PHE CB C 22 44.178 41.977 2.201 1
1 187 . 2 1 1 A 22 22 PHE C C 22 175.163 175.870 -0.707 1
1 188 . 2 1 1 A 23 23 CYS CA C 23 59.537 61.729 -2.192 1
1 189 . 2 1 1 A 23 23 CYS HA H 23 4.584 4.361 0.223 1
1 190 . 2 1 1 A 23 23 CYS CB C 23 27.668 27.617 0.051 1
1 193 . 2 1 1 A 23 23 CYS C C 23 174.498 175.135 -0.637 1
1 194 . 2 1 1 A 24 24 GLY N N 24 110.238 108.412 1.826 1
1 195 . 2 1 1 A 24 24 GLY H H 24 7.698 8.049 -0.351 1
1 196 . 2 1 1 A 24 24 GLY CA C 24 44.739 44.654 0.085 1
1 197 . 2 1 1 A 24 24 GLY HA2 H 24 4.165 4.183 -0.018 1
1 198 . 2 1 1 A 24 24 GLY HA3 H 24 3.964 4.190 -0.226 1
1 199 . 2 1 1 A 24 24 GLY C C 24 172.746 174.105 -1.359 1
1 200 . 2 1 1 A 25 25 ARG N N 25 123.007 124.789 -1.782 1
1 201 . 2 1 1 A 25 25 ARG H H 25 8.249 7.741 0.508 1
1 202 . 2 1 1 A 25 25 ARG CA C 25 58.734 58.772 -0.038 1
1 203 . 2 1 1 A 25 25 ARG HA H 25 3.118 3.284 -0.166 1
1 204 . 2 1 1 A 25 25 ARG CB C 25 29.705 29.469 0.236 1
1 213 . 2 1 1 A 25 25 ARG C C 25 178.108 177.370 0.738 1
1 214 . 2 1 1 A 26 26 SER CA C 26 61.773 61.096 0.677 1
1 215 . 2 1 1 A 26 26 SER HA H 26 3.836 3.999 -0.163 1
1 216 . 2 1 1 A 26 26 SER CB C 26 61.872 62.775 -0.903 1
1 219 . 2 1 1 A 26 26 SER C C 26 177.394 176.456 0.938 1
1 220 . 2 1 1 A 27 27 ARG N N 27 121.358 120.474 0.884 1
1 221 . 2 1 1 A 27 27 ARG H H 27 7.581 7.535 0.046 1
1 222 . 2 1 1 A 27 27 ARG CA C 27 58.837 58.272 0.565 1
1 223 . 2 1 1 A 27 27 ARG HA H 27 3.924 4.133 -0.209 1
1 224 . 2 1 1 A 27 27 ARG CB C 27 29.724 30.572 -0.848 1
1 233 . 2 1 1 A 27 27 ARG C C 27 179.126 178.270 0.856 1
1 234 . 2 1 1 A 28 28 LEU N N 28 121.828 120.440 1.388 1
1 235 . 2 1 1 A 28 28 LEU H H 28 7.259 7.485 -0.226 1
1 236 . 2 1 1 A 28 28 LEU CA C 28 57.978 57.951 0.027 1
1 237 . 2 1 1 A 28 28 LEU HA H 28 3.366 2.445 0.921 1
1 238 . 2 1 1 A 28 28 LEU CB C 28 40.695 41.191 -0.496 1
1 251 . 2 1 1 A 28 28 LEU C C 28 177.702 177.984 -0.282 1
1 252 . 2 1 1 A 29 29 ASN N N 29 118.482 115.793 2.689 1
1 253 . 2 1 1 A 29 29 ASN H H 29 8.579 8.467 0.112 1
1 254 . 2 1 1 A 29 29 ASN CA C 29 56.000 56.319 -0.319 1
1 255 . 2 1 1 A 29 29 ASN HA H 29 4.264 4.300 -0.036 1
1 256 . 2 1 1 A 29 29 ASN CB C 29 37.394 37.786 -0.392 1
1 262 . 2 1 1 A 29 29 ASN C C 29 178.386 178.326 0.060 1
1 263 . 2 1 1 A 30 30 ARG N N 30 119.681 118.771 0.910 1
1 264 . 2 1 1 A 30 30 ARG H H 30 7.752 7.795 -0.043 1
1 265 . 2 1 1 A 30 30 ARG CA C 30 58.915 59.569 -0.654 1
1 266 . 2 1 1 A 30 30 ARG HA H 30 4.000 3.967 0.033 1
1 267 . 2 1 1 A 30 30 ARG CB C 30 29.883 29.722 0.161 1
1 276 . 2 1 1 A 30 30 ARG C C 30 178.773 179.081 -0.308 1
1 277 . 2 1 1 A 31 31 HIS N N 31 119.307 120.341 -1.034 1
1 278 . 2 1 1 A 31 31 HIS H H 31 7.577 7.929 -0.352 1
1 279 . 2 1 1 A 31 31 HIS CA C 31 58.939 59.641 -0.702 1
1 280 . 2 1 1 A 31 31 HIS HA H 31 4.111 4.278 -0.167 1
1 281 . 2 1 1 A 31 31 HIS CB C 31 27.639 29.210 -1.571 1
1 288 . 2 1 1 A 31 31 HIS C C 31 176.358 177.778 -1.420 1
1 289 . 2 1 1 A 32 32 SER N N 32 113.043 114.104 -1.061 1
1 290 . 2 1 1 A 32 32 SER H H 32 8.442 8.327 0.115 1
1 291 . 2 1 1 A 32 32 SER CA C 32 62.184 60.904 1.280 1
1 292 . 2 1 1 A 32 32 SER HA H 32 3.814 4.218 -0.404 1
1 293 . 2 1 1 A 32 32 SER CB C 32 63.027 62.997 0.030 1
1 296 . 2 1 1 A 32 32 SER C C 32 175.520 175.739 -0.219 1
1 297 . 2 1 1 A 33 33 MET N N 33 118.839 118.990 -0.151 1
1 298 . 2 1 1 A 33 33 MET H H 33 7.002 7.687 -0.685 1
1 299 . 2 1 1 A 33 33 MET CA C 33 57.473 56.953 0.520 1
1 300 . 2 1 1 A 33 33 MET HA H 33 4.176 4.506 -0.330 1
1 301 . 2 1 1 A 33 33 MET CB C 33 32.277 32.536 -0.259 1
1 311 . 2 1 1 A 33 33 MET C C 33 178.211 177.656 0.555 1
1 312 . 2 1 1 A 34 34 VAL N N 34 116.464 115.967 0.497 1
1 313 . 2 1 1 A 34 34 VAL H H 34 7.961 8.055 -0.094 1
1 314 . 2 1 1 A 34 34 VAL CA C 34 63.927 65.039 -1.112 1
1 315 . 2 1 1 A 34 34 VAL HA H 34 3.845 3.882 -0.037 1
1 316 . 2 1 1 A 34 34 VAL CB C 34 30.987 31.130 -0.143 1
1 326 . 2 1 1 A 34 34 VAL C C 34 177.249 177.160 0.089 1
1 327 . 2 1 1 A 35 35 HIS N N 35 116.579 119.670 -3.091 1
1 328 . 2 1 1 A 35 35 HIS H H 35 7.050 7.813 -0.763 1
1 329 . 2 1 1 A 35 35 HIS CA C 35 55.032 58.288 -3.256 1
1 330 . 2 1 1 A 35 35 HIS HA H 35 4.866 4.458 0.408 1
1 331 . 2 1 1 A 35 35 HIS CB C 35 28.597 30.039 -1.442 1
1 338 . 2 1 1 A 35 35 HIS C C 35 175.442 175.176 0.266 1
1 339 . 2 1 1 A 36 36 THR N N 36 113.320 112.848 0.472 1
1 340 . 2 1 1 A 36 36 THR H H 36 7.617 7.589 0.028 1
1 341 . 2 1 1 A 36 36 THR CA C 36 62.572 61.207 1.365 1
1 342 . 2 1 1 A 36 36 THR HA H 36 4.228 4.523 -0.295 1
1 343 . 2 1 1 A 36 36 THR CB C 36 69.623 69.385 0.238 1
1 349 . 2 1 1 A 36 36 THR C C 36 174.335 175.402 -1.067 1
1 350 . 2 1 1 A 37 37 ALA N N 37 125.356 124.854 0.502 1
1 351 . 2 1 1 A 37 37 ALA H H 37 8.086 7.810 0.276 1
1 352 . 2 1 1 A 37 37 ALA CA C 37 52.577 51.760 0.817 1
1 353 . 2 1 1 A 37 37 ALA HA H 37 4.279 4.401 -0.122 1
1 354 . 2 1 1 A 37 37 ALA CB C 37 19.131 19.128 0.003 1
1 358 . 2 1 1 A 37 37 ALA C C 37 177.556 176.286 1.270 1
1 359 . 2 1 1 A 38 38 GLU N N 38 119.877 115.621 4.256 1
1 360 . 2 1 1 A 38 38 GLU H H 38 8.105 7.670 0.435 1
1 361 . 2 1 1 A 38 38 GLU CA C 38 56.451 55.328 1.123 1
1 362 . 2 1 1 A 38 38 GLU HA H 38 4.163 4.535 -0.372 1
1 363 . 2 1 1 A 38 38 GLU CB C 38 30.357 31.331 -0.974 1
1 369 . 2 1 1 A 38 38 GLU C C 38 176.160 175.194 0.966 1
1 370 . 2 1 1 A 39 39 LYS N N 39 123.534 120.673 2.861 1
1 371 . 2 1 1 A 39 39 LYS H H 39 8.259 8.582 -0.323 1
1 372 . 2 1 1 A 39 39 LYS CA C 39 54.110 54.943 -0.833 1
1 373 . 2 1 1 A 39 39 LYS HA H 39 4.547 4.386 0.161 1
1 374 . 2 1 1 A 39 39 LYS CB C 39 32.486 32.017 0.469 1
1 386 . 2 1 1 A 39 39 LYS C C 39 174.387 176.622 -2.235 1
1 387 . 2 1 1 A 40 40 PRO CA C 40 63.170 64.201 -1.031 1
1 388 . 2 1 1 A 40 40 PRO HA H 40 4.405 4.480 -0.075 1
1 389 . 2 1 1 A 40 40 PRO CB C 40 32.153 31.606 0.547 1
1 398 . 2 1 1 A 41 41 SER N N 41 116.460 113.312 3.148 1
1 399 . 2 1 1 A 41 41 SER H H 41 8.499 7.717 0.782 1
1 400 . 2 1 1 A 42 42 GLY CA C 42 44.629 45.440 -0.811 1
1 401 . 2 1 1 A 42 42 GLY HA2 H 42 4.100 4.191 -0.091 1
1 402 . 2 1 1 A 42 42 GLY HA3 H 42 4.051 4.197 -0.146 1
1 403 . 2 1 1 A 43 43 PRO CA C 43 63.255 62.764 0.491 1
1 404 . 2 1 1 A 43 43 PRO HA H 43 4.417 4.824 -0.407 1
1 405 . 2 1 1 A 43 43 PRO CB C 43 32.137 32.119 0.018 1
1 414 . 2 1 1 A 44 44 SER N N 44 116.517 114.655 1.862 1
1 415 . 2 1 1 A 44 44 SER H H 44 8.453 8.242 0.211 1
1 416 . 2 1 1 A 44 44 SER CB C 44 61.760 66.313 -4.553 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.476 44.765 0.711 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.020 4.006 0.014 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.020 4.006 0.014 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.552 171.501 3.051 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.807 113.580 -0.773 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.124 7.845 0.279 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.837 60.167 1.670 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.310 4.919 -0.609 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.739 70.476 -0.737 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.300 172.900 2.400 1
1 16 . 3 1 1 A 9 9 GLY N N 9 111.107 114.329 -3.222 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.427 8.952 -0.525 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.215 45.444 -0.229 1
1 19 . 3 1 1 A 9 9 GLY HA2 H 9 3.908 4.019 -0.111 1
1 20 . 3 1 1 A 9 9 GLY HA3 H 9 3.908 4.019 -0.111 1
1 21 . 3 1 1 A 9 9 GLY C C 9 174.012 172.263 1.749 1
1 22 . 3 1 1 A 10 10 GLU N N 10 120.447 124.736 -4.289 1
1 23 . 3 1 1 A 10 10 GLU H H 10 8.157 8.587 -0.430 1
1 24 . 3 1 1 A 10 10 GLU CA C 10 56.427 55.584 0.843 1
1 25 . 3 1 1 A 10 10 GLU HA H 10 4.192 4.708 -0.516 1
1 26 . 3 1 1 A 10 10 GLU CB C 10 30.579 30.855 -0.276 1
1 32 . 3 1 1 A 10 10 GLU C C 10 176.190 176.514 -0.324 1
1 33 . 3 1 1 A 11 11 LYS N N 11 123.159 124.136 -0.977 1
1 34 . 3 1 1 A 11 11 LYS H H 11 8.316 8.776 -0.460 1
1 35 . 3 1 1 A 11 11 LYS CA C 11 54.101 54.065 0.036 1
1 36 . 3 1 1 A 11 11 LYS HA H 11 4.442 4.663 -0.221 1
1 37 . 3 1 1 A 11 11 LYS CB C 11 32.610 32.224 0.386 1
1 49 . 3 1 1 A 11 11 LYS C C 11 174.187 176.440 -2.253 1
1 50 . 3 1 1 A 12 12 PRO CA C 12 63.210 63.830 -0.620 1
1 51 . 3 1 1 A 12 12 PRO HA H 12 4.407 4.303 0.104 1
1 52 . 3 1 1 A 12 12 PRO CB C 12 32.232 31.212 1.020 1
1 61 . 3 1 1 A 12 12 PRO C C 12 176.447 175.691 0.756 1
1 62 . 3 1 1 A 13 13 PHE N N 13 119.708 118.488 1.220 1
1 63 . 3 1 1 A 13 13 PHE H H 13 8.425 7.590 0.835 1
1 64 . 3 1 1 A 13 13 PHE CA C 13 57.386 56.558 0.828 1
1 65 . 3 1 1 A 13 13 PHE HA H 13 4.561 5.300 -0.739 1
1 66 . 3 1 1 A 13 13 PHE CB C 13 40.677 44.004 -3.327 1
1 79 . 3 1 1 A 13 13 PHE C C 13 174.289 174.292 -0.003 1
1 80 . 3 1 1 A 14 14 LYS N N 14 124.280 120.490 3.790 1
1 81 . 3 1 1 A 14 14 LYS H H 14 8.599 8.816 -0.217 1
1 82 . 3 1 1 A 14 14 LYS CA C 14 55.128 55.874 -0.746 1
1 83 . 3 1 1 A 14 14 LYS HA H 14 4.876 4.828 0.048 1
1 84 . 3 1 1 A 14 14 LYS CB C 14 35.217 36.830 -1.613 1
1 96 . 3 1 1 A 14 14 LYS C C 14 175.445 174.237 1.208 1
1 97 . 3 1 1 A 15 15 CYS N N 15 126.829 123.655 3.174 1
1 98 . 3 1 1 A 15 15 CYS H H 15 9.153 9.371 -0.218 1
1 99 . 3 1 1 A 15 15 CYS CA C 15 59.229 58.763 0.466 1
1 100 . 3 1 1 A 15 15 CYS HA H 15 4.498 4.779 -0.281 1
1 101 . 3 1 1 A 15 15 CYS CB C 15 29.719 29.376 0.343 1
1 104 . 3 1 1 A 15 15 CYS C C 15 176.812 174.522 2.290 1
1 105 . 3 1 1 A 16 16 ASP N N 16 131.329 123.354 7.975 1
1 106 . 3 1 1 A 16 16 ASP H H 16 9.242 8.947 0.295 1
1 107 . 3 1 1 A 16 16 ASP CA C 16 56.451 54.905 1.546 1
1 108 . 3 1 1 A 16 16 ASP HA H 16 4.402 4.855 -0.453 1
1 109 . 3 1 1 A 16 16 ASP CB C 16 40.727 42.275 -1.548 1
1 112 . 3 1 1 A 16 16 ASP C C 16 176.032 176.886 -0.854 1
1 113 . 3 1 1 A 17 17 ILE N N 17 121.275 118.615 2.660 1
1 114 . 3 1 1 A 17 17 ILE H H 17 8.635 7.204 1.431 1
1 115 . 3 1 1 A 17 17 ILE CA C 17 63.212 63.667 -0.455 1
1 116 . 3 1 1 A 17 17 ILE HA H 17 3.821 3.811 0.010 1
1 117 . 3 1 1 A 17 17 ILE CB C 17 38.137 38.155 -0.018 1
1 130 . 3 1 1 A 17 17 ILE C C 17 177.086 177.666 -0.580 1
1 131 . 3 1 1 A 18 18 CYS N N 18 115.895 115.093 0.802 1
1 132 . 3 1 1 A 18 18 CYS H H 18 8.067 7.922 0.145 1
1 133 . 3 1 1 A 18 18 CYS CA C 18 58.167 58.577 -0.410 1
1 134 . 3 1 1 A 18 18 CYS HA H 18 5.107 4.673 0.434 1
1 135 . 3 1 1 A 18 18 CYS CB C 18 32.381 29.732 2.649 1
1 138 . 3 1 1 A 18 18 CYS C C 18 176.599 176.291 0.308 1
1 139 . 3 1 1 A 19 19 GLY N N 19 113.203 111.125 2.078 1
1 140 . 3 1 1 A 19 19 GLY H H 19 8.004 8.178 -0.174 1
1 141 . 3 1 1 A 19 19 GLY CA C 19 46.439 45.807 0.632 1
1 142 . 3 1 1 A 19 19 GLY HA2 H 19 3.769 3.990 -0.221 1
1 143 . 3 1 1 A 19 19 GLY HA3 H 19 4.167 4.009 0.158 1
1 144 . 3 1 1 A 19 19 GLY C C 19 173.734 174.538 -0.804 1
1 145 . 3 1 1 A 20 20 LYS N N 20 122.356 121.228 1.128 1
1 146 . 3 1 1 A 20 20 LYS H H 20 7.822 7.396 0.426 1
1 147 . 3 1 1 A 20 20 LYS CA C 20 57.737 57.142 0.595 1
1 148 . 3 1 1 A 20 20 LYS HA H 20 4.045 4.212 -0.167 1
1 149 . 3 1 1 A 20 20 LYS CB C 20 33.982 33.590 0.392 1
1 161 . 3 1 1 A 20 20 LYS C C 20 174.356 176.628 -2.272 1
1 162 . 3 1 1 A 21 21 SER N N 21 114.802 117.531 -2.729 1
1 163 . 3 1 1 A 21 21 SER H H 21 7.870 8.252 -0.382 1
1 164 . 3 1 1 A 21 21 SER CA C 21 57.281 56.595 0.686 1
1 165 . 3 1 1 A 21 21 SER HA H 21 5.187 5.417 -0.230 1
1 166 . 3 1 1 A 21 21 SER CB C 21 65.661 65.574 0.087 1
1 169 . 3 1 1 A 21 21 SER C C 21 173.041 173.979 -0.938 1
1 170 . 3 1 1 A 22 22 PHE N N 22 118.519 118.094 0.425 1
1 171 . 3 1 1 A 22 22 PHE H H 22 8.795 8.834 -0.039 1
1 172 . 3 1 1 A 22 22 PHE CA C 22 58.014 56.383 1.631 1
1 173 . 3 1 1 A 22 22 PHE HA H 22 3.364 4.964 -1.600 1
1 174 . 3 1 1 A 22 22 PHE CB C 22 44.178 41.907 2.271 1
1 187 . 3 1 1 A 22 22 PHE C C 22 175.163 175.880 -0.717 1
1 188 . 3 1 1 A 23 23 CYS CA C 23 59.537 61.519 -1.982 1
1 189 . 3 1 1 A 23 23 CYS HA H 23 4.584 4.357 0.227 1
1 190 . 3 1 1 A 23 23 CYS CB C 23 27.668 27.717 -0.049 1
1 193 . 3 1 1 A 23 23 CYS C C 23 174.498 175.140 -0.642 1
1 194 . 3 1 1 A 24 24 GLY N N 24 110.238 108.879 1.359 1
1 195 . 3 1 1 A 24 24 GLY H H 24 7.698 7.986 -0.288 1
1 196 . 3 1 1 A 24 24 GLY CA C 24 44.739 44.526 0.213 1
1 197 . 3 1 1 A 24 24 GLY HA2 H 24 4.165 4.111 0.054 1
1 198 . 3 1 1 A 24 24 GLY HA3 H 24 3.964 4.112 -0.148 1
1 199 . 3 1 1 A 24 24 GLY C C 24 172.746 174.095 -1.349 1
1 200 . 3 1 1 A 25 25 ARG N N 25 123.007 124.520 -1.513 1
1 201 . 3 1 1 A 25 25 ARG H H 25 8.249 7.647 0.602 1
1 202 . 3 1 1 A 25 25 ARG CA C 25 58.734 58.893 -0.159 1
1 203 . 3 1 1 A 25 25 ARG HA H 25 3.118 3.262 -0.144 1
1 204 . 3 1 1 A 25 25 ARG CB C 25 29.705 29.417 0.288 1
1 213 . 3 1 1 A 25 25 ARG C C 25 178.108 177.503 0.605 1
1 214 . 3 1 1 A 26 26 SER CA C 26 61.773 61.198 0.575 1
1 215 . 3 1 1 A 26 26 SER HA H 26 3.836 4.014 -0.178 1
1 216 . 3 1 1 A 26 26 SER CB C 26 61.872 62.892 -1.020 1
1 219 . 3 1 1 A 26 26 SER C C 26 177.394 176.690 0.704 1
1 220 . 3 1 1 A 27 27 ARG N N 27 121.358 120.916 0.442 1
1 221 . 3 1 1 A 27 27 ARG H H 27 7.581 7.604 -0.023 1
1 222 . 3 1 1 A 27 27 ARG CA C 27 58.837 58.251 0.586 1
1 223 . 3 1 1 A 27 27 ARG HA H 27 3.924 4.108 -0.184 1
1 224 . 3 1 1 A 27 27 ARG CB C 27 29.724 30.567 -0.843 1
1 233 . 3 1 1 A 27 27 ARG C C 27 179.126 178.177 0.949 1
1 234 . 3 1 1 A 28 28 LEU N N 28 121.828 120.349 1.479 1
1 235 . 3 1 1 A 28 28 LEU H H 28 7.259 7.533 -0.274 1
1 236 . 3 1 1 A 28 28 LEU CA C 28 57.978 57.889 0.089 1
1 237 . 3 1 1 A 28 28 LEU HA H 28 3.366 2.408 0.958 1
1 238 . 3 1 1 A 28 28 LEU CB C 28 40.695 41.185 -0.490 1
1 251 . 3 1 1 A 28 28 LEU C C 28 177.702 177.916 -0.214 1
1 252 . 3 1 1 A 29 29 ASN N N 29 118.482 115.525 2.957 1
1 253 . 3 1 1 A 29 29 ASN H H 29 8.579 8.427 0.152 1
1 254 . 3 1 1 A 29 29 ASN CA C 29 56.000 56.439 -0.439 1
1 255 . 3 1 1 A 29 29 ASN HA H 29 4.264 4.279 -0.015 1
1 256 . 3 1 1 A 29 29 ASN CB C 29 37.394 37.812 -0.418 1
1 262 . 3 1 1 A 29 29 ASN C C 29 178.386 178.320 0.066 1
1 263 . 3 1 1 A 30 30 ARG N N 30 119.681 118.585 1.096 1
1 264 . 3 1 1 A 30 30 ARG H H 30 7.752 8.145 -0.393 1
1 265 . 3 1 1 A 30 30 ARG CA C 30 58.915 59.603 -0.688 1
1 266 . 3 1 1 A 30 30 ARG HA H 30 4.000 3.972 0.028 1
1 267 . 3 1 1 A 30 30 ARG CB C 30 29.883 29.581 0.302 1
1 276 . 3 1 1 A 30 30 ARG C C 30 178.773 179.202 -0.429 1
1 277 . 3 1 1 A 31 31 HIS N N 31 119.307 120.396 -1.089 1
1 278 . 3 1 1 A 31 31 HIS H H 31 7.577 8.003 -0.426 1
1 279 . 3 1 1 A 31 31 HIS CA C 31 58.939 59.897 -0.958 1
1 280 . 3 1 1 A 31 31 HIS HA H 31 4.111 4.241 -0.130 1
1 281 . 3 1 1 A 31 31 HIS CB C 31 27.639 29.204 -1.565 1
1 288 . 3 1 1 A 31 31 HIS C C 31 176.358 177.901 -1.543 1
1 289 . 3 1 1 A 32 32 SER N N 32 113.043 113.689 -0.646 1
1 290 . 3 1 1 A 32 32 SER H H 32 8.442 8.324 0.118 1
1 291 . 3 1 1 A 32 32 SER CA C 32 62.184 60.929 1.255 1
1 292 . 3 1 1 A 32 32 SER HA H 32 3.814 4.256 -0.442 1
1 293 . 3 1 1 A 32 32 SER CB C 32 63.027 62.928 0.099 1
1 296 . 3 1 1 A 32 32 SER C C 32 175.520 175.549 -0.029 1
1 297 . 3 1 1 A 33 33 MET N N 33 118.839 118.932 -0.093 1
1 298 . 3 1 1 A 33 33 MET H H 33 7.002 7.828 -0.826 1
1 299 . 3 1 1 A 33 33 MET CA C 33 57.473 56.920 0.553 1
1 300 . 3 1 1 A 33 33 MET HA H 33 4.176 4.500 -0.324 1
1 301 . 3 1 1 A 33 33 MET CB C 33 32.277 32.615 -0.338 1
1 311 . 3 1 1 A 33 33 MET C C 33 178.211 177.493 0.718 1
1 312 . 3 1 1 A 34 34 VAL N N 34 116.464 116.239 0.225 1
1 313 . 3 1 1 A 34 34 VAL H H 34 7.961 7.748 0.213 1
1 314 . 3 1 1 A 34 34 VAL CA C 34 63.927 64.982 -1.055 1
1 315 . 3 1 1 A 34 34 VAL HA H 34 3.845 3.893 -0.048 1
1 316 . 3 1 1 A 34 34 VAL CB C 34 30.987 31.120 -0.133 1
1 326 . 3 1 1 A 34 34 VAL C C 34 177.249 177.066 0.183 1
1 327 . 3 1 1 A 35 35 HIS N N 35 116.579 119.499 -2.920 1
1 328 . 3 1 1 A 35 35 HIS H H 35 7.050 7.831 -0.781 1
1 329 . 3 1 1 A 35 35 HIS CA C 35 55.032 58.600 -3.568 1
1 330 . 3 1 1 A 35 35 HIS HA H 35 4.866 4.455 0.411 1
1 331 . 3 1 1 A 35 35 HIS CB C 35 28.597 30.184 -1.587 1
1 338 . 3 1 1 A 35 35 HIS C C 35 175.442 175.214 0.228 1
1 339 . 3 1 1 A 36 36 THR N N 36 113.320 112.073 1.247 1
1 340 . 3 1 1 A 36 36 THR H H 36 7.617 7.437 0.180 1
1 341 . 3 1 1 A 36 36 THR CA C 36 62.572 61.279 1.293 1
1 342 . 3 1 1 A 36 36 THR HA H 36 4.228 4.422 -0.194 1
1 343 . 3 1 1 A 36 36 THR CB C 36 69.623 69.253 0.370 1
1 349 . 3 1 1 A 36 36 THR C C 36 174.335 174.389 -0.054 1
1 350 . 3 1 1 A 37 37 ALA N N 37 125.356 125.691 -0.335 1
1 351 . 3 1 1 A 37 37 ALA H H 37 8.086 7.687 0.399 1
1 352 . 3 1 1 A 37 37 ALA CA C 37 52.577 50.931 1.646 1
1 353 . 3 1 1 A 37 37 ALA HA H 37 4.279 4.442 -0.163 1
1 354 . 3 1 1 A 37 37 ALA CB C 37 19.131 18.916 0.215 1
1 358 . 3 1 1 A 37 37 ALA C C 37 177.556 176.018 1.538 1
1 359 . 3 1 1 A 38 38 GLU N N 38 119.877 121.116 -1.239 1
1 360 . 3 1 1 A 38 38 GLU H H 38 8.105 8.446 -0.341 1
1 361 . 3 1 1 A 38 38 GLU CA C 38 56.451 55.912 0.539 1
1 362 . 3 1 1 A 38 38 GLU HA H 38 4.163 4.691 -0.528 1
1 363 . 3 1 1 A 38 38 GLU CB C 38 30.357 29.512 0.845 1
1 369 . 3 1 1 A 38 38 GLU C C 38 176.160 175.608 0.552 1
1 370 . 3 1 1 A 39 39 LYS N N 39 123.534 125.954 -2.420 1
1 371 . 3 1 1 A 39 39 LYS H H 39 8.259 8.496 -0.237 1
1 372 . 3 1 1 A 39 39 LYS CA C 39 54.110 52.890 1.220 1
1 373 . 3 1 1 A 39 39 LYS HA H 39 4.547 4.706 -0.159 1
1 374 . 3 1 1 A 39 39 LYS CB C 39 32.486 32.933 -0.447 1
1 386 . 3 1 1 A 39 39 LYS C C 39 174.387 174.544 -0.157 1
1 387 . 3 1 1 A 40 40 PRO CA C 40 63.170 62.622 0.548 1
1 388 . 3 1 1 A 40 40 PRO HA H 40 4.405 4.752 -0.347 1
1 389 . 3 1 1 A 40 40 PRO CB C 40 32.153 30.432 1.721 1
1 398 . 3 1 1 A 41 41 SER N N 41 116.460 114.506 1.954 1
1 399 . 3 1 1 A 41 41 SER H H 41 8.499 8.059 0.440 1
1 400 . 3 1 1 A 42 42 GLY CA C 42 44.629 45.165 -0.536 1
1 401 . 3 1 1 A 42 42 GLY HA2 H 42 4.100 3.959 0.141 1
1 402 . 3 1 1 A 42 42 GLY HA3 H 42 4.051 3.959 0.092 1
1 403 . 3 1 1 A 43 43 PRO CA C 43 63.255 62.730 0.525 1
1 404 . 3 1 1 A 43 43 PRO HA H 43 4.417 4.570 -0.153 1
1 405 . 3 1 1 A 43 43 PRO CB C 43 32.137 31.927 0.210 1
1 414 . 3 1 1 A 44 44 SER N N 44 116.517 118.381 -1.864 1
1 415 . 3 1 1 A 44 44 SER H H 44 8.453 8.554 -0.101 1
1 416 . 3 1 1 A 44 44 SER CB C 44 61.760 62.949 -1.189 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.476 44.711 0.765 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.020 4.048 -0.028 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.020 4.056 -0.036 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.552 172.495 2.057 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.807 112.203 0.604 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.124 8.356 -0.232 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.837 59.639 2.198 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.310 5.189 -0.879 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.739 71.129 -1.390 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.300 173.387 1.913 1
1 16 . 4 1 1 A 9 9 GLY N N 9 111.107 108.641 2.466 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.427 8.278 0.149 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.215 44.850 0.365 1
1 19 . 4 1 1 A 9 9 GLY HA2 H 9 3.908 4.191 -0.283 1
1 20 . 4 1 1 A 9 9 GLY HA3 H 9 3.908 4.192 -0.284 1
1 21 . 4 1 1 A 9 9 GLY C C 9 174.012 171.785 2.227 1
1 22 . 4 1 1 A 10 10 GLU N N 10 120.447 120.159 0.288 1
1 23 . 4 1 1 A 10 10 GLU H H 10 8.157 8.541 -0.384 1
1 24 . 4 1 1 A 10 10 GLU CA C 10 56.427 54.645 1.782 1
1 25 . 4 1 1 A 10 10 GLU HA H 10 4.192 5.164 -0.972 1
1 26 . 4 1 1 A 10 10 GLU CB C 10 30.579 34.224 -3.645 1
1 32 . 4 1 1 A 10 10 GLU C C 10 176.190 174.626 1.564 1
1 33 . 4 1 1 A 11 11 LYS N N 11 123.159 123.249 -0.090 1
1 34 . 4 1 1 A 11 11 LYS H H 11 8.316 8.719 -0.403 1
1 35 . 4 1 1 A 11 11 LYS CA C 11 54.101 53.385 0.716 1
1 36 . 4 1 1 A 11 11 LYS HA H 11 4.442 4.768 -0.326 1
1 37 . 4 1 1 A 11 11 LYS CB C 11 32.610 33.428 -0.818 1
1 49 . 4 1 1 A 11 11 LYS C C 11 174.187 176.491 -2.304 1
1 50 . 4 1 1 A 12 12 PRO CA C 12 63.210 63.701 -0.491 1
1 51 . 4 1 1 A 12 12 PRO HA H 12 4.407 4.301 0.106 1
1 52 . 4 1 1 A 12 12 PRO CB C 12 32.232 31.233 0.999 1
1 61 . 4 1 1 A 12 12 PRO C C 12 176.447 175.708 0.739 1
1 62 . 4 1 1 A 13 13 PHE N N 13 119.708 118.488 1.220 1
1 63 . 4 1 1 A 13 13 PHE H H 13 8.425 7.591 0.834 1
1 64 . 4 1 1 A 13 13 PHE CA C 13 57.386 56.462 0.924 1
1 65 . 4 1 1 A 13 13 PHE HA H 13 4.561 5.308 -0.747 1
1 66 . 4 1 1 A 13 13 PHE CB C 13 40.677 44.009 -3.332 1
1 79 . 4 1 1 A 13 13 PHE C C 13 174.289 174.291 -0.002 1
1 80 . 4 1 1 A 14 14 LYS N N 14 124.280 120.504 3.776 1
1 81 . 4 1 1 A 14 14 LYS H H 14 8.599 8.818 -0.219 1
1 82 . 4 1 1 A 14 14 LYS CA C 14 55.128 55.880 -0.752 1
1 83 . 4 1 1 A 14 14 LYS HA H 14 4.876 4.829 0.047 1
1 84 . 4 1 1 A 14 14 LYS CB C 14 35.217 36.747 -1.530 1
1 96 . 4 1 1 A 14 14 LYS C C 14 175.445 174.231 1.214 1
1 97 . 4 1 1 A 15 15 CYS N N 15 126.829 123.720 3.109 1
1 98 . 4 1 1 A 15 15 CYS H H 15 9.153 9.375 -0.222 1
1 99 . 4 1 1 A 15 15 CYS CA C 15 59.229 58.648 0.581 1
1 100 . 4 1 1 A 15 15 CYS HA H 15 4.498 4.776 -0.278 1
1 101 . 4 1 1 A 15 15 CYS CB C 15 29.719 29.405 0.314 1
1 104 . 4 1 1 A 15 15 CYS C C 15 176.812 174.457 2.355 1
1 105 . 4 1 1 A 16 16 ASP N N 16 131.329 123.249 8.080 1
1 106 . 4 1 1 A 16 16 ASP H H 16 9.242 9.021 0.221 1
1 107 . 4 1 1 A 16 16 ASP CA C 16 56.451 54.874 1.577 1
1 108 . 4 1 1 A 16 16 ASP HA H 16 4.402 4.891 -0.489 1
1 109 . 4 1 1 A 16 16 ASP CB C 16 40.727 42.383 -1.656 1
1 112 . 4 1 1 A 16 16 ASP C C 16 176.032 176.786 -0.754 1
1 113 . 4 1 1 A 17 17 ILE N N 17 121.275 118.770 2.505 1
1 114 . 4 1 1 A 17 17 ILE H H 17 8.635 7.693 0.942 1
1 115 . 4 1 1 A 17 17 ILE CA C 17 63.212 63.679 -0.467 1
1 116 . 4 1 1 A 17 17 ILE HA H 17 3.821 3.820 0.001 1
1 117 . 4 1 1 A 17 17 ILE CB C 17 38.137 38.176 -0.039 1
1 130 . 4 1 1 A 17 17 ILE C C 17 177.086 177.686 -0.600 1
1 131 . 4 1 1 A 18 18 CYS N N 18 115.895 115.120 0.775 1
1 132 . 4 1 1 A 18 18 CYS H H 18 8.067 7.927 0.140 1
1 133 . 4 1 1 A 18 18 CYS CA C 18 58.167 58.600 -0.433 1
1 134 . 4 1 1 A 18 18 CYS HA H 18 5.107 4.696 0.411 1
1 135 . 4 1 1 A 18 18 CYS CB C 18 32.381 29.746 2.635 1
1 138 . 4 1 1 A 18 18 CYS C C 18 176.599 176.253 0.346 1
1 139 . 4 1 1 A 19 19 GLY N N 19 113.203 111.272 1.931 1
1 140 . 4 1 1 A 19 19 GLY H H 19 8.004 8.144 -0.140 1
1 141 . 4 1 1 A 19 19 GLY CA C 19 46.439 45.881 0.558 1
1 142 . 4 1 1 A 19 19 GLY HA2 H 19 3.769 3.993 -0.224 1
1 143 . 4 1 1 A 19 19 GLY HA3 H 19 4.167 4.011 0.156 1
1 144 . 4 1 1 A 19 19 GLY C C 19 173.734 174.542 -0.808 1
1 145 . 4 1 1 A 20 20 LYS N N 20 122.356 121.311 1.045 1
1 146 . 4 1 1 A 20 20 LYS H H 20 7.822 7.415 0.407 1
1 147 . 4 1 1 A 20 20 LYS CA C 20 57.737 57.030 0.707 1
1 148 . 4 1 1 A 20 20 LYS HA H 20 4.045 4.219 -0.174 1
1 149 . 4 1 1 A 20 20 LYS CB C 20 33.982 33.648 0.334 1
1 161 . 4 1 1 A 20 20 LYS C C 20 174.356 176.656 -2.300 1
1 162 . 4 1 1 A 21 21 SER N N 21 114.802 117.567 -2.765 1
1 163 . 4 1 1 A 21 21 SER H H 21 7.870 8.253 -0.383 1
1 164 . 4 1 1 A 21 21 SER CA C 21 57.281 56.591 0.690 1
1 165 . 4 1 1 A 21 21 SER HA H 21 5.187 5.419 -0.232 1
1 166 . 4 1 1 A 21 21 SER CB C 21 65.661 65.574 0.087 1
1 169 . 4 1 1 A 21 21 SER C C 21 173.041 173.988 -0.947 1
1 170 . 4 1 1 A 22 22 PHE N N 22 118.519 118.089 0.430 1
1 171 . 4 1 1 A 22 22 PHE H H 22 8.795 8.836 -0.041 1
1 172 . 4 1 1 A 22 22 PHE CA C 22 58.014 56.495 1.519 1
1 173 . 4 1 1 A 22 22 PHE HA H 22 3.364 4.971 -1.607 1
1 174 . 4 1 1 A 22 22 PHE CB C 22 44.178 41.971 2.207 1
1 187 . 4 1 1 A 22 22 PHE C C 22 175.163 175.883 -0.720 1
1 188 . 4 1 1 A 23 23 CYS CA C 23 59.537 61.779 -2.242 1
1 189 . 4 1 1 A 23 23 CYS HA H 23 4.584 4.362 0.222 1
1 190 . 4 1 1 A 23 23 CYS CB C 23 27.668 27.564 0.104 1
1 193 . 4 1 1 A 23 23 CYS C C 23 174.498 175.167 -0.669 1
1 194 . 4 1 1 A 24 24 GLY N N 24 110.238 108.450 1.788 1
1 195 . 4 1 1 A 24 24 GLY H H 24 7.698 8.020 -0.322 1
1 196 . 4 1 1 A 24 24 GLY CA C 24 44.739 44.651 0.088 1
1 197 . 4 1 1 A 24 24 GLY HA2 H 24 4.165 4.162 0.003 1
1 198 . 4 1 1 A 24 24 GLY HA3 H 24 3.964 4.162 -0.198 1
1 199 . 4 1 1 A 24 24 GLY C C 24 172.746 174.263 -1.517 1
1 200 . 4 1 1 A 25 25 ARG N N 25 123.007 125.093 -2.086 1
1 201 . 4 1 1 A 25 25 ARG H H 25 8.249 7.636 0.613 1
1 202 . 4 1 1 A 25 25 ARG CA C 25 58.734 58.890 -0.156 1
1 203 . 4 1 1 A 25 25 ARG HA H 25 3.118 3.257 -0.139 1
1 204 . 4 1 1 A 25 25 ARG CB C 25 29.705 29.405 0.300 1
1 213 . 4 1 1 A 25 25 ARG C C 25 178.108 177.587 0.521 1
1 214 . 4 1 1 A 26 26 SER CA C 26 61.773 61.541 0.232 1
1 215 . 4 1 1 A 26 26 SER HA H 26 3.836 4.180 -0.344 1
1 216 . 4 1 1 A 26 26 SER CB C 26 61.872 62.762 -0.890 1
1 219 . 4 1 1 A 26 26 SER C C 26 177.394 176.284 1.110 1
1 220 . 4 1 1 A 27 27 ARG N N 27 121.358 121.282 0.076 1
1 221 . 4 1 1 A 27 27 ARG H H 27 7.581 7.599 -0.018 1
1 222 . 4 1 1 A 27 27 ARG CA C 27 58.837 58.181 0.656 1
1 223 . 4 1 1 A 27 27 ARG HA H 27 3.924 4.104 -0.180 1
1 224 . 4 1 1 A 27 27 ARG CB C 27 29.724 30.605 -0.881 1
1 233 . 4 1 1 A 27 27 ARG C C 27 179.126 178.031 1.095 1
1 234 . 4 1 1 A 28 28 LEU N N 28 121.828 120.303 1.525 1
1 235 . 4 1 1 A 28 28 LEU H H 28 7.259 7.460 -0.201 1
1 236 . 4 1 1 A 28 28 LEU CA C 28 57.978 57.945 0.033 1
1 237 . 4 1 1 A 28 28 LEU HA H 28 3.366 2.398 0.968 1
1 238 . 4 1 1 A 28 28 LEU CB C 28 40.695 41.184 -0.489 1
1 251 . 4 1 1 A 28 28 LEU C C 28 177.702 178.088 -0.386 1
1 252 . 4 1 1 A 29 29 ASN N N 29 118.482 115.811 2.671 1
1 253 . 4 1 1 A 29 29 ASN H H 29 8.579 8.458 0.121 1
1 254 . 4 1 1 A 29 29 ASN CA C 29 56.000 56.294 -0.294 1
1 255 . 4 1 1 A 29 29 ASN HA H 29 4.264 4.286 -0.022 1
1 256 . 4 1 1 A 29 29 ASN CB C 29 37.394 37.772 -0.378 1
1 262 . 4 1 1 A 29 29 ASN C C 29 178.386 178.331 0.055 1
1 263 . 4 1 1 A 30 30 ARG N N 30 119.681 118.624 1.057 1
1 264 . 4 1 1 A 30 30 ARG H H 30 7.752 8.115 -0.363 1
1 265 . 4 1 1 A 30 30 ARG CA C 30 58.915 59.529 -0.614 1
1 266 . 4 1 1 A 30 30 ARG HA H 30 4.000 3.967 0.033 1
1 267 . 4 1 1 A 30 30 ARG CB C 30 29.883 29.765 0.118 1
1 276 . 4 1 1 A 30 30 ARG C C 30 178.773 179.201 -0.428 1
1 277 . 4 1 1 A 31 31 HIS N N 31 119.307 120.338 -1.031 1
1 278 . 4 1 1 A 31 31 HIS H H 31 7.577 8.014 -0.437 1
1 279 . 4 1 1 A 31 31 HIS CA C 31 58.939 59.578 -0.639 1
1 280 . 4 1 1 A 31 31 HIS HA H 31 4.111 4.277 -0.166 1
1 281 . 4 1 1 A 31 31 HIS CB C 31 27.639 29.141 -1.502 1
1 288 . 4 1 1 A 31 31 HIS C C 31 176.358 177.804 -1.446 1
1 289 . 4 1 1 A 32 32 SER N N 32 113.043 113.920 -0.877 1
1 290 . 4 1 1 A 32 32 SER H H 32 8.442 8.408 0.034 1
1 291 . 4 1 1 A 32 32 SER CA C 32 62.184 60.942 1.242 1
1 292 . 4 1 1 A 32 32 SER HA H 32 3.814 4.193 -0.379 1
1 293 . 4 1 1 A 32 32 SER CB C 32 63.027 62.990 0.037 1
1 296 . 4 1 1 A 32 32 SER C C 32 175.520 175.997 -0.477 1
1 297 . 4 1 1 A 33 33 MET N N 33 118.839 119.113 -0.274 1
1 298 . 4 1 1 A 33 33 MET H H 33 7.002 7.773 -0.771 1
1 299 . 4 1 1 A 33 33 MET CA C 33 57.473 57.560 -0.087 1
1 300 . 4 1 1 A 33 33 MET HA H 33 4.176 4.495 -0.319 1
1 301 . 4 1 1 A 33 33 MET CB C 33 32.277 32.525 -0.248 1
1 311 . 4 1 1 A 33 33 MET C C 33 178.211 177.923 0.288 1
1 312 . 4 1 1 A 34 34 VAL N N 34 116.464 116.146 0.318 1
1 313 . 4 1 1 A 34 34 VAL H H 34 7.961 7.879 0.082 1
1 314 . 4 1 1 A 34 34 VAL CA C 34 63.927 65.508 -1.581 1
1 315 . 4 1 1 A 34 34 VAL HA H 34 3.845 3.861 -0.016 1
1 316 . 4 1 1 A 34 34 VAL CB C 34 30.987 31.062 -0.075 1
1 326 . 4 1 1 A 34 34 VAL C C 34 177.249 177.581 -0.332 1
1 327 . 4 1 1 A 35 35 HIS N N 35 116.579 119.752 -3.173 1
1 328 . 4 1 1 A 35 35 HIS H H 35 7.050 7.967 -0.917 1
1 329 . 4 1 1 A 35 35 HIS CA C 35 55.032 59.229 -4.197 1
1 330 . 4 1 1 A 35 35 HIS HA H 35 4.866 4.333 0.533 1
1 331 . 4 1 1 A 35 35 HIS CB C 35 28.597 30.546 -1.949 1
1 338 . 4 1 1 A 35 35 HIS C C 35 175.442 175.595 -0.153 1
1 339 . 4 1 1 A 36 36 THR N N 36 113.320 112.698 0.622 1
1 340 . 4 1 1 A 36 36 THR H H 36 7.617 7.476 0.141 1
1 341 . 4 1 1 A 36 36 THR CA C 36 62.572 61.371 1.201 1
1 342 . 4 1 1 A 36 36 THR HA H 36 4.228 4.433 -0.205 1
1 343 . 4 1 1 A 36 36 THR CB C 36 69.623 69.290 0.333 1
1 349 . 4 1 1 A 36 36 THR C C 36 174.335 175.096 -0.761 1
1 350 . 4 1 1 A 37 37 ALA N N 37 125.356 125.015 0.341 1
1 351 . 4 1 1 A 37 37 ALA H H 37 8.086 7.603 0.483 1
1 352 . 4 1 1 A 37 37 ALA CA C 37 52.577 51.159 1.418 1
1 353 . 4 1 1 A 37 37 ALA HA H 37 4.279 4.507 -0.228 1
1 354 . 4 1 1 A 37 37 ALA CB C 37 19.131 19.388 -0.257 1
1 358 . 4 1 1 A 37 37 ALA C C 37 177.556 176.830 0.726 1
1 359 . 4 1 1 A 38 38 GLU N N 38 119.877 116.576 3.301 1
1 360 . 4 1 1 A 38 38 GLU H H 38 8.105 7.810 0.295 1
1 361 . 4 1 1 A 38 38 GLU CA C 38 56.451 55.203 1.248 1
1 362 . 4 1 1 A 38 38 GLU HA H 38 4.163 4.938 -0.775 1
1 363 . 4 1 1 A 38 38 GLU CB C 38 30.357 30.797 -0.440 1
1 369 . 4 1 1 A 38 38 GLU C C 38 176.160 175.265 0.895 1
1 370 . 4 1 1 A 39 39 LYS N N 39 123.534 126.106 -2.572 1
1 371 . 4 1 1 A 39 39 LYS H H 39 8.259 8.378 -0.119 1
1 372 . 4 1 1 A 39 39 LYS CA C 39 54.110 55.231 -1.121 1
1 373 . 4 1 1 A 39 39 LYS HA H 39 4.547 4.337 0.210 1
1 374 . 4 1 1 A 39 39 LYS CB C 39 32.486 31.683 0.803 1
1 386 . 4 1 1 A 39 39 LYS C C 39 174.387 174.778 -0.391 1
1 387 . 4 1 1 A 40 40 PRO CA C 40 63.170 62.751 0.419 1
1 388 . 4 1 1 A 40 40 PRO HA H 40 4.405 4.652 -0.247 1
1 389 . 4 1 1 A 40 40 PRO CB C 40 32.153 31.751 0.402 1
1 398 . 4 1 1 A 41 41 SER N N 41 116.460 118.563 -2.103 1
1 399 . 4 1 1 A 41 41 SER H H 41 8.499 8.622 -0.123 1
1 400 . 4 1 1 A 42 42 GLY CA C 42 44.629 44.227 0.402 1
1 401 . 4 1 1 A 42 42 GLY HA2 H 42 4.100 4.069 0.031 1
1 402 . 4 1 1 A 42 42 GLY HA3 H 42 4.051 4.069 -0.018 1
1 403 . 4 1 1 A 43 43 PRO CA C 43 63.255 62.660 0.595 1
1 404 . 4 1 1 A 43 43 PRO HA H 43 4.417 4.541 -0.124 1
1 405 . 4 1 1 A 43 43 PRO CB C 43 32.137 31.979 0.158 1
1 414 . 4 1 1 A 44 44 SER N N 44 116.517 118.082 -1.565 1
1 415 . 4 1 1 A 44 44 SER H H 44 8.453 8.506 -0.053 1
1 416 . 4 1 1 A 44 44 SER CB C 44 61.760 63.331 -1.571 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.476 46.004 -0.528 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.020 4.149 -0.129 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.020 4.150 -0.130 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.552 172.327 2.225 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.807 116.615 -3.808 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.124 8.579 -0.455 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.837 60.748 1.089 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.310 4.649 -0.339 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.739 69.799 -0.060 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.300 173.370 1.930 1
1 16 . 5 1 1 A 9 9 GLY N N 9 111.107 110.400 0.707 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.427 7.325 1.102 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.215 45.885 -0.670 1
1 19 . 5 1 1 A 9 9 GLY HA2 H 9 3.908 4.010 -0.102 1
1 20 . 5 1 1 A 9 9 GLY HA3 H 9 3.908 4.010 -0.102 1
1 21 . 5 1 1 A 9 9 GLY C C 9 174.012 171.973 2.039 1
1 22 . 5 1 1 A 10 10 GLU N N 10 120.447 120.245 0.202 1
1 23 . 5 1 1 A 10 10 GLU H H 10 8.157 8.872 -0.715 1
1 24 . 5 1 1 A 10 10 GLU CA C 10 56.427 54.938 1.489 1
1 25 . 5 1 1 A 10 10 GLU HA H 10 4.192 5.059 -0.867 1
1 26 . 5 1 1 A 10 10 GLU CB C 10 30.579 31.999 -1.420 1
1 32 . 5 1 1 A 10 10 GLU C C 10 176.190 175.602 0.588 1
1 33 . 5 1 1 A 11 11 LYS N N 11 123.159 120.895 2.264 1
1 34 . 5 1 1 A 11 11 LYS H H 11 8.316 8.522 -0.206 1
1 35 . 5 1 1 A 11 11 LYS CA C 11 54.101 53.232 0.869 1
1 36 . 5 1 1 A 11 11 LYS HA H 11 4.442 4.766 -0.324 1
1 37 . 5 1 1 A 11 11 LYS CB C 11 32.610 33.519 -0.909 1
1 49 . 5 1 1 A 11 11 LYS C C 11 174.187 176.442 -2.255 1
1 50 . 5 1 1 A 12 12 PRO CA C 12 63.210 63.769 -0.559 1
1 51 . 5 1 1 A 12 12 PRO HA H 12 4.407 4.298 0.109 1
1 52 . 5 1 1 A 12 12 PRO CB C 12 32.232 31.231 1.001 1
1 61 . 5 1 1 A 12 12 PRO C C 12 176.447 175.709 0.738 1
1 62 . 5 1 1 A 13 13 PHE N N 13 119.708 118.509 1.199 1
1 63 . 5 1 1 A 13 13 PHE H H 13 8.425 7.589 0.836 1
1 64 . 5 1 1 A 13 13 PHE CA C 13 57.386 56.478 0.908 1
1 65 . 5 1 1 A 13 13 PHE HA H 13 4.561 5.308 -0.747 1
1 66 . 5 1 1 A 13 13 PHE CB C 13 40.677 44.261 -3.584 1
1 79 . 5 1 1 A 13 13 PHE C C 13 174.289 174.234 0.055 1
1 80 . 5 1 1 A 14 14 LYS N N 14 124.280 120.335 3.945 1
1 81 . 5 1 1 A 14 14 LYS H H 14 8.599 8.824 -0.225 1
1 82 . 5 1 1 A 14 14 LYS CA C 14 55.128 55.950 -0.822 1
1 83 . 5 1 1 A 14 14 LYS HA H 14 4.876 4.810 0.066 1
1 84 . 5 1 1 A 14 14 LYS CB C 14 35.217 36.730 -1.513 1
1 96 . 5 1 1 A 14 14 LYS C C 14 175.445 174.225 1.220 1
1 97 . 5 1 1 A 15 15 CYS N N 15 126.829 123.749 3.080 1
1 98 . 5 1 1 A 15 15 CYS H H 15 9.153 9.432 -0.279 1
1 99 . 5 1 1 A 15 15 CYS CA C 15 59.229 58.659 0.570 1
1 100 . 5 1 1 A 15 15 CYS HA H 15 4.498 4.778 -0.280 1
1 101 . 5 1 1 A 15 15 CYS CB C 15 29.719 29.454 0.265 1
1 104 . 5 1 1 A 15 15 CYS C C 15 176.812 174.453 2.359 1
1 105 . 5 1 1 A 16 16 ASP N N 16 131.329 123.287 8.042 1
1 106 . 5 1 1 A 16 16 ASP H H 16 9.242 8.956 0.286 1
1 107 . 5 1 1 A 16 16 ASP CA C 16 56.451 54.915 1.536 1
1 108 . 5 1 1 A 16 16 ASP HA H 16 4.402 4.863 -0.461 1
1 109 . 5 1 1 A 16 16 ASP CB C 16 40.727 42.331 -1.604 1
1 112 . 5 1 1 A 16 16 ASP C C 16 176.032 176.970 -0.938 1
1 113 . 5 1 1 A 17 17 ILE N N 17 121.275 118.860 2.415 1
1 114 . 5 1 1 A 17 17 ILE H H 17 8.635 7.732 0.903 1
1 115 . 5 1 1 A 17 17 ILE CA C 17 63.212 63.709 -0.497 1
1 116 . 5 1 1 A 17 17 ILE HA H 17 3.821 3.797 0.024 1
1 117 . 5 1 1 A 17 17 ILE CB C 17 38.137 38.242 -0.105 1
1 130 . 5 1 1 A 17 17 ILE C C 17 177.086 177.678 -0.592 1
1 131 . 5 1 1 A 18 18 CYS N N 18 115.895 115.111 0.784 1
1 132 . 5 1 1 A 18 18 CYS H H 18 8.067 7.915 0.152 1
1 133 . 5 1 1 A 18 18 CYS CA C 18 58.167 58.592 -0.425 1
1 134 . 5 1 1 A 18 18 CYS HA H 18 5.107 4.684 0.423 1
1 135 . 5 1 1 A 18 18 CYS CB C 18 32.381 29.715 2.666 1
1 138 . 5 1 1 A 18 18 CYS C C 18 176.599 176.247 0.352 1
1 139 . 5 1 1 A 19 19 GLY N N 19 113.203 111.071 2.132 1
1 140 . 5 1 1 A 19 19 GLY H H 19 8.004 8.174 -0.170 1
1 141 . 5 1 1 A 19 19 GLY CA C 19 46.439 45.875 0.564 1
1 142 . 5 1 1 A 19 19 GLY HA2 H 19 3.769 3.993 -0.224 1
1 143 . 5 1 1 A 19 19 GLY HA3 H 19 4.167 4.012 0.155 1
1 144 . 5 1 1 A 19 19 GLY C C 19 173.734 174.528 -0.794 1
1 145 . 5 1 1 A 20 20 LYS N N 20 122.356 121.323 1.033 1
1 146 . 5 1 1 A 20 20 LYS H H 20 7.822 7.420 0.402 1
1 147 . 5 1 1 A 20 20 LYS CA C 20 57.737 57.011 0.726 1
1 148 . 5 1 1 A 20 20 LYS HA H 20 4.045 4.188 -0.143 1
1 149 . 5 1 1 A 20 20 LYS CB C 20 33.982 33.532 0.450 1
1 161 . 5 1 1 A 20 20 LYS C C 20 174.356 176.590 -2.234 1
1 162 . 5 1 1 A 21 21 SER N N 21 114.802 117.519 -2.717 1
1 163 . 5 1 1 A 21 21 SER H H 21 7.870 8.243 -0.373 1
1 164 . 5 1 1 A 21 21 SER CA C 21 57.281 56.600 0.681 1
1 165 . 5 1 1 A 21 21 SER HA H 21 5.187 5.350 -0.163 1
1 166 . 5 1 1 A 21 21 SER CB C 21 65.661 65.354 0.307 1
1 169 . 5 1 1 A 21 21 SER C C 21 173.041 173.885 -0.844 1
1 170 . 5 1 1 A 22 22 PHE N N 22 118.519 117.933 0.586 1
1 171 . 5 1 1 A 22 22 PHE H H 22 8.795 8.826 -0.031 1
1 172 . 5 1 1 A 22 22 PHE CA C 22 58.014 56.426 1.588 1
1 173 . 5 1 1 A 22 22 PHE HA H 22 3.364 4.928 -1.564 1
1 174 . 5 1 1 A 22 22 PHE CB C 22 44.178 41.977 2.201 1
1 187 . 5 1 1 A 22 22 PHE C C 22 175.163 175.871 -0.708 1
1 188 . 5 1 1 A 23 23 CYS CA C 23 59.537 61.724 -2.187 1
1 189 . 5 1 1 A 23 23 CYS HA H 23 4.584 4.349 0.235 1
1 190 . 5 1 1 A 23 23 CYS CB C 23 27.668 27.566 0.102 1
1 193 . 5 1 1 A 23 23 CYS C C 23 174.498 175.123 -0.625 1
1 194 . 5 1 1 A 24 24 GLY N N 24 110.238 108.475 1.763 1
1 195 . 5 1 1 A 24 24 GLY H H 24 7.698 8.026 -0.328 1
1 196 . 5 1 1 A 24 24 GLY CA C 24 44.739 44.617 0.122 1
1 197 . 5 1 1 A 24 24 GLY HA2 H 24 4.165 4.161 0.004 1
1 198 . 5 1 1 A 24 24 GLY HA3 H 24 3.964 4.169 -0.205 1
1 199 . 5 1 1 A 24 24 GLY C C 24 172.746 174.264 -1.518 1
1 200 . 5 1 1 A 25 25 ARG N N 25 123.007 125.077 -2.070 1
1 201 . 5 1 1 A 25 25 ARG H H 25 8.249 7.742 0.507 1
1 202 . 5 1 1 A 25 25 ARG CA C 25 58.734 58.885 -0.151 1
1 203 . 5 1 1 A 25 25 ARG HA H 25 3.118 3.260 -0.142 1
1 204 . 5 1 1 A 25 25 ARG CB C 25 29.705 29.355 0.350 1
1 213 . 5 1 1 A 25 25 ARG C C 25 178.108 177.587 0.521 1
1 214 . 5 1 1 A 26 26 SER CA C 26 61.773 61.728 0.045 1
1 215 . 5 1 1 A 26 26 SER HA H 26 3.836 4.164 -0.328 1
1 216 . 5 1 1 A 26 26 SER CB C 26 61.872 62.813 -0.941 1
1 219 . 5 1 1 A 26 26 SER C C 26 177.394 176.495 0.899 1
1 220 . 5 1 1 A 27 27 ARG N N 27 121.358 121.444 -0.086 1
1 221 . 5 1 1 A 27 27 ARG H H 27 7.581 7.484 0.097 1
1 222 . 5 1 1 A 27 27 ARG CA C 27 58.837 58.328 0.509 1
1 223 . 5 1 1 A 27 27 ARG HA H 27 3.924 4.130 -0.206 1
1 224 . 5 1 1 A 27 27 ARG CB C 27 29.724 30.444 -0.720 1
1 233 . 5 1 1 A 27 27 ARG C C 27 179.126 178.203 0.923 1
1 234 . 5 1 1 A 28 28 LEU N N 28 121.828 120.401 1.427 1
1 235 . 5 1 1 A 28 28 LEU H H 28 7.259 7.508 -0.249 1
1 236 . 5 1 1 A 28 28 LEU CA C 28 57.978 57.961 0.017 1
1 237 . 5 1 1 A 28 28 LEU HA H 28 3.366 2.461 0.905 1
1 238 . 5 1 1 A 28 28 LEU CB C 28 40.695 41.262 -0.567 1
1 251 . 5 1 1 A 28 28 LEU C C 28 177.702 178.102 -0.400 1
1 252 . 5 1 1 A 29 29 ASN N N 29 118.482 115.841 2.641 1
1 253 . 5 1 1 A 29 29 ASN H H 29 8.579 8.401 0.178 1
1 254 . 5 1 1 A 29 29 ASN CA C 29 56.000 56.283 -0.283 1
1 255 . 5 1 1 A 29 29 ASN HA H 29 4.264 4.287 -0.023 1
1 256 . 5 1 1 A 29 29 ASN CB C 29 37.394 37.813 -0.419 1
1 262 . 5 1 1 A 29 29 ASN C C 29 178.386 178.370 0.016 1
1 263 . 5 1 1 A 30 30 ARG N N 30 119.681 118.598 1.083 1
1 264 . 5 1 1 A 30 30 ARG H H 30 7.752 8.100 -0.348 1
1 265 . 5 1 1 A 30 30 ARG CA C 30 58.915 59.767 -0.852 1
1 266 . 5 1 1 A 30 30 ARG HA H 30 4.000 3.981 0.019 1
1 267 . 5 1 1 A 30 30 ARG CB C 30 29.883 29.539 0.344 1
1 276 . 5 1 1 A 30 30 ARG C C 30 178.773 179.201 -0.428 1
1 277 . 5 1 1 A 31 31 HIS N N 31 119.307 120.381 -1.074 1
1 278 . 5 1 1 A 31 31 HIS H H 31 7.577 7.927 -0.350 1
1 279 . 5 1 1 A 31 31 HIS CA C 31 58.939 59.943 -1.004 1
1 280 . 5 1 1 A 31 31 HIS HA H 31 4.111 4.244 -0.133 1
1 281 . 5 1 1 A 31 31 HIS CB C 31 27.639 29.201 -1.562 1
1 288 . 5 1 1 A 31 31 HIS C C 31 176.358 177.897 -1.539 1
1 289 . 5 1 1 A 32 32 SER N N 32 113.043 113.570 -0.527 1
1 290 . 5 1 1 A 32 32 SER H H 32 8.442 8.275 0.167 1
1 291 . 5 1 1 A 32 32 SER CA C 32 62.184 60.966 1.218 1
1 292 . 5 1 1 A 32 32 SER HA H 32 3.814 4.228 -0.414 1
1 293 . 5 1 1 A 32 32 SER CB C 32 63.027 63.042 -0.015 1
1 296 . 5 1 1 A 32 32 SER C C 32 175.520 175.681 -0.161 1
1 297 . 5 1 1 A 33 33 MET N N 33 118.839 119.080 -0.241 1
1 298 . 5 1 1 A 33 33 MET H H 33 7.002 7.904 -0.902 1
1 299 . 5 1 1 A 33 33 MET CA C 33 57.473 57.587 -0.114 1
1 300 . 5 1 1 A 33 33 MET HA H 33 4.176 4.492 -0.316 1
1 301 . 5 1 1 A 33 33 MET CB C 33 32.277 32.617 -0.340 1
1 311 . 5 1 1 A 33 33 MET C C 33 178.211 177.919 0.292 1
1 312 . 5 1 1 A 34 34 VAL N N 34 116.464 116.175 0.289 1
1 313 . 5 1 1 A 34 34 VAL H H 34 7.961 7.713 0.248 1
1 314 . 5 1 1 A 34 34 VAL CA C 34 63.927 65.500 -1.573 1
1 315 . 5 1 1 A 34 34 VAL HA H 34 3.845 3.833 0.012 1
1 316 . 5 1 1 A 34 34 VAL CB C 34 30.987 31.056 -0.069 1
1 326 . 5 1 1 A 34 34 VAL C C 34 177.249 177.518 -0.269 1
1 327 . 5 1 1 A 35 35 HIS N N 35 116.579 119.882 -3.303 1
1 328 . 5 1 1 A 35 35 HIS H H 35 7.050 7.967 -0.917 1
1 329 . 5 1 1 A 35 35 HIS CA C 35 55.032 59.297 -4.265 1
1 330 . 5 1 1 A 35 35 HIS HA H 35 4.866 4.253 0.613 1
1 331 . 5 1 1 A 35 35 HIS CB C 35 28.597 30.311 -1.714 1
1 338 . 5 1 1 A 35 35 HIS C C 35 175.442 176.005 -0.563 1
1 339 . 5 1 1 A 36 36 THR N N 36 113.320 113.872 -0.552 1
1 340 . 5 1 1 A 36 36 THR H H 36 7.617 7.756 -0.139 1
1 341 . 5 1 1 A 36 36 THR CA C 36 62.572 63.796 -1.224 1
1 342 . 5 1 1 A 36 36 THR HA H 36 4.228 4.413 -0.185 1
1 343 . 5 1 1 A 36 36 THR CB C 36 69.623 70.189 -0.566 1
1 349 . 5 1 1 A 36 36 THR C C 36 174.335 175.536 -1.201 1
1 350 . 5 1 1 A 37 37 ALA N N 37 125.356 121.078 4.278 1
1 351 . 5 1 1 A 37 37 ALA H H 37 8.086 7.573 0.513 1
1 352 . 5 1 1 A 37 37 ALA CA C 37 52.577 52.045 0.532 1
1 353 . 5 1 1 A 37 37 ALA HA H 37 4.279 4.421 -0.142 1
1 354 . 5 1 1 A 37 37 ALA CB C 37 19.131 18.585 0.546 1
1 358 . 5 1 1 A 37 37 ALA C C 37 177.556 177.089 0.467 1
1 359 . 5 1 1 A 38 38 GLU N N 38 119.877 119.481 0.396 1
1 360 . 5 1 1 A 38 38 GLU H H 38 8.105 7.500 0.605 1
1 361 . 5 1 1 A 38 38 GLU CA C 38 56.451 56.615 -0.164 1
1 362 . 5 1 1 A 38 38 GLU HA H 38 4.163 4.241 -0.078 1
1 363 . 5 1 1 A 38 38 GLU CB C 38 30.357 30.064 0.293 1
1 369 . 5 1 1 A 38 38 GLU C C 38 176.160 176.497 -0.337 1
1 370 . 5 1 1 A 39 39 LYS N N 39 123.534 126.191 -2.657 1
1 371 . 5 1 1 A 39 39 LYS H H 39 8.259 8.449 -0.190 1
1 372 . 5 1 1 A 39 39 LYS CA C 39 54.110 55.266 -1.156 1
1 373 . 5 1 1 A 39 39 LYS HA H 39 4.547 4.266 0.281 1
1 374 . 5 1 1 A 39 39 LYS CB C 39 32.486 31.887 0.599 1
1 386 . 5 1 1 A 39 39 LYS C C 39 174.387 176.537 -2.150 1
1 387 . 5 1 1 A 40 40 PRO CA C 40 63.170 64.314 -1.144 1
1 388 . 5 1 1 A 40 40 PRO HA H 40 4.405 4.438 -0.033 1
1 389 . 5 1 1 A 40 40 PRO CB C 40 32.153 31.604 0.549 1
1 398 . 5 1 1 A 41 41 SER N N 41 116.460 110.876 5.584 1
1 399 . 5 1 1 A 41 41 SER H H 41 8.499 7.995 0.504 1
1 400 . 5 1 1 A 42 42 GLY CA C 42 44.629 45.254 -0.625 1
1 401 . 5 1 1 A 42 42 GLY HA2 H 42 4.100 4.155 -0.055 1
1 402 . 5 1 1 A 42 42 GLY HA3 H 42 4.051 4.155 -0.104 1
1 403 . 5 1 1 A 43 43 PRO CA C 43 63.255 62.696 0.559 1
1 404 . 5 1 1 A 43 43 PRO HA H 43 4.417 4.671 -0.254 1
1 405 . 5 1 1 A 43 43 PRO CB C 43 32.137 33.223 -1.086 1
1 414 . 5 1 1 A 44 44 SER N N 44 116.517 115.323 1.194 1
1 415 . 5 1 1 A 44 44 SER H H 44 8.453 8.549 -0.096 1
1 416 . 5 1 1 A 44 44 SER CB C 44 61.760 66.666 -4.906 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.476 43.704 1.772 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.020 4.073 -0.053 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.020 4.074 -0.054 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.552 172.845 1.707 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.807 116.011 -3.204 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.124 8.326 -0.202 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.837 60.678 1.159 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.310 4.848 -0.538 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.739 70.369 -0.630 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.300 173.759 1.541 1
1 16 . 6 1 1 A 9 9 GLY N N 9 111.107 113.132 -2.025 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.427 8.389 0.038 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.215 45.379 -0.164 1
1 19 . 6 1 1 A 9 9 GLY HA2 H 9 3.908 4.164 -0.256 1
1 20 . 6 1 1 A 9 9 GLY HA3 H 9 3.908 4.167 -0.259 1
1 21 . 6 1 1 A 9 9 GLY C C 9 174.012 174.199 -0.187 1
1 22 . 6 1 1 A 10 10 GLU N N 10 120.447 119.526 0.921 1
1 23 . 6 1 1 A 10 10 GLU H H 10 8.157 7.921 0.236 1
1 24 . 6 1 1 A 10 10 GLU CA C 10 56.427 55.635 0.792 1
1 25 . 6 1 1 A 10 10 GLU HA H 10 4.192 4.507 -0.315 1
1 26 . 6 1 1 A 10 10 GLU CB C 10 30.579 30.953 -0.374 1
1 32 . 6 1 1 A 10 10 GLU C C 10 176.190 176.567 -0.377 1
1 33 . 6 1 1 A 11 11 LYS N N 11 123.159 121.376 1.783 1
1 34 . 6 1 1 A 11 11 LYS H H 11 8.316 8.470 -0.154 1
1 35 . 6 1 1 A 11 11 LYS CA C 11 54.101 55.236 -1.135 1
1 36 . 6 1 1 A 11 11 LYS HA H 11 4.442 4.310 0.132 1
1 37 . 6 1 1 A 11 11 LYS CB C 11 32.610 32.058 0.552 1
1 49 . 6 1 1 A 11 11 LYS C C 11 174.187 176.580 -2.393 1
1 50 . 6 1 1 A 12 12 PRO CA C 12 63.210 63.877 -0.667 1
1 51 . 6 1 1 A 12 12 PRO HA H 12 4.407 4.307 0.100 1
1 52 . 6 1 1 A 12 12 PRO CB C 12 32.232 31.277 0.955 1
1 61 . 6 1 1 A 12 12 PRO C C 12 176.447 175.670 0.777 1
1 62 . 6 1 1 A 13 13 PHE N N 13 119.708 118.494 1.214 1
1 63 . 6 1 1 A 13 13 PHE H H 13 8.425 7.592 0.833 1
1 64 . 6 1 1 A 13 13 PHE CA C 13 57.386 56.492 0.894 1
1 65 . 6 1 1 A 13 13 PHE HA H 13 4.561 5.308 -0.747 1
1 66 . 6 1 1 A 13 13 PHE CB C 13 40.677 44.250 -3.573 1
1 79 . 6 1 1 A 13 13 PHE C C 13 174.289 174.288 0.001 1
1 80 . 6 1 1 A 14 14 LYS N N 14 124.280 120.282 3.998 1
1 81 . 6 1 1 A 14 14 LYS H H 14 8.599 8.818 -0.219 1
1 82 . 6 1 1 A 14 14 LYS CA C 14 55.128 55.905 -0.777 1
1 83 . 6 1 1 A 14 14 LYS HA H 14 4.876 4.827 0.049 1
1 84 . 6 1 1 A 14 14 LYS CB C 14 35.217 36.750 -1.533 1
1 96 . 6 1 1 A 14 14 LYS C C 14 175.445 174.240 1.205 1
1 97 . 6 1 1 A 15 15 CYS N N 15 126.829 123.713 3.116 1
1 98 . 6 1 1 A 15 15 CYS H H 15 9.153 9.371 -0.218 1
1 99 . 6 1 1 A 15 15 CYS CA C 15 59.229 58.647 0.582 1
1 100 . 6 1 1 A 15 15 CYS HA H 15 4.498 4.790 -0.292 1
1 101 . 6 1 1 A 15 15 CYS CB C 15 29.719 29.538 0.181 1
1 104 . 6 1 1 A 15 15 CYS C C 15 176.812 174.447 2.365 1
1 105 . 6 1 1 A 16 16 ASP N N 16 131.329 123.332 7.997 1
1 106 . 6 1 1 A 16 16 ASP H H 16 9.242 9.019 0.223 1
1 107 . 6 1 1 A 16 16 ASP CA C 16 56.451 54.960 1.491 1
1 108 . 6 1 1 A 16 16 ASP HA H 16 4.402 4.886 -0.484 1
1 109 . 6 1 1 A 16 16 ASP CB C 16 40.727 42.357 -1.630 1
1 112 . 6 1 1 A 16 16 ASP C C 16 176.032 177.003 -0.971 1
1 113 . 6 1 1 A 17 17 ILE N N 17 121.275 118.149 3.126 1
1 114 . 6 1 1 A 17 17 ILE H H 17 8.635 7.801 0.834 1
1 115 . 6 1 1 A 17 17 ILE CA C 17 63.212 63.707 -0.495 1
1 116 . 6 1 1 A 17 17 ILE HA H 17 3.821 3.817 0.004 1
1 117 . 6 1 1 A 17 17 ILE CB C 17 38.137 38.141 -0.004 1
1 130 . 6 1 1 A 17 17 ILE C C 17 177.086 177.672 -0.586 1
1 131 . 6 1 1 A 18 18 CYS N N 18 115.895 114.795 1.100 1
1 132 . 6 1 1 A 18 18 CYS H H 18 8.067 7.912 0.155 1
1 133 . 6 1 1 A 18 18 CYS CA C 18 58.167 58.585 -0.418 1
1 134 . 6 1 1 A 18 18 CYS HA H 18 5.107 4.677 0.430 1
1 135 . 6 1 1 A 18 18 CYS CB C 18 32.381 29.579 2.802 1
1 138 . 6 1 1 A 18 18 CYS C C 18 176.599 176.235 0.364 1
1 139 . 6 1 1 A 19 19 GLY N N 19 113.203 111.202 2.001 1
1 140 . 6 1 1 A 19 19 GLY H H 19 8.004 8.155 -0.151 1
1 141 . 6 1 1 A 19 19 GLY CA C 19 46.439 45.874 0.565 1
1 142 . 6 1 1 A 19 19 GLY HA2 H 19 3.769 3.991 -0.222 1
1 143 . 6 1 1 A 19 19 GLY HA3 H 19 4.167 4.010 0.157 1
1 144 . 6 1 1 A 19 19 GLY C C 19 173.734 174.514 -0.780 1
1 145 . 6 1 1 A 20 20 LYS N N 20 122.356 121.328 1.028 1
1 146 . 6 1 1 A 20 20 LYS H H 20 7.822 7.400 0.422 1
1 147 . 6 1 1 A 20 20 LYS CA C 20 57.737 57.023 0.714 1
1 148 . 6 1 1 A 20 20 LYS HA H 20 4.045 4.206 -0.161 1
1 149 . 6 1 1 A 20 20 LYS CB C 20 33.982 33.554 0.428 1
1 161 . 6 1 1 A 20 20 LYS C C 20 174.356 176.613 -2.257 1
1 162 . 6 1 1 A 21 21 SER N N 21 114.802 117.543 -2.741 1
1 163 . 6 1 1 A 21 21 SER H H 21 7.870 8.280 -0.410 1
1 164 . 6 1 1 A 21 21 SER CA C 21 57.281 56.460 0.821 1
1 165 . 6 1 1 A 21 21 SER HA H 21 5.187 5.465 -0.278 1
1 166 . 6 1 1 A 21 21 SER CB C 21 65.661 65.563 0.098 1
1 169 . 6 1 1 A 21 21 SER C C 21 173.041 173.915 -0.874 1
1 170 . 6 1 1 A 22 22 PHE N N 22 118.519 117.936 0.583 1
1 171 . 6 1 1 A 22 22 PHE H H 22 8.795 8.913 -0.118 1
1 172 . 6 1 1 A 22 22 PHE CA C 22 58.014 56.383 1.631 1
1 173 . 6 1 1 A 22 22 PHE HA H 22 3.364 4.968 -1.604 1
1 174 . 6 1 1 A 22 22 PHE CB C 22 44.178 41.784 2.394 1
1 187 . 6 1 1 A 22 22 PHE C C 22 175.163 175.879 -0.716 1
1 188 . 6 1 1 A 23 23 CYS CA C 23 59.537 61.723 -2.186 1
1 189 . 6 1 1 A 23 23 CYS HA H 23 4.584 4.361 0.223 1
1 190 . 6 1 1 A 23 23 CYS CB C 23 27.668 27.615 0.053 1
1 193 . 6 1 1 A 23 23 CYS C C 23 174.498 175.120 -0.622 1
1 194 . 6 1 1 A 24 24 GLY N N 24 110.238 108.461 1.777 1
1 195 . 6 1 1 A 24 24 GLY H H 24 7.698 8.021 -0.323 1
1 196 . 6 1 1 A 24 24 GLY CA C 24 44.739 44.611 0.128 1
1 197 . 6 1 1 A 24 24 GLY HA2 H 24 4.165 4.159 0.006 1
1 198 . 6 1 1 A 24 24 GLY HA3 H 24 3.964 4.159 -0.195 1
1 199 . 6 1 1 A 24 24 GLY C C 24 172.746 174.261 -1.515 1
1 200 . 6 1 1 A 25 25 ARG N N 25 123.007 125.070 -2.063 1
1 201 . 6 1 1 A 25 25 ARG H H 25 8.249 7.698 0.551 1
1 202 . 6 1 1 A 25 25 ARG CA C 25 58.734 58.894 -0.160 1
1 203 . 6 1 1 A 25 25 ARG HA H 25 3.118 3.265 -0.147 1
1 204 . 6 1 1 A 25 25 ARG CB C 25 29.705 29.406 0.299 1
1 213 . 6 1 1 A 25 25 ARG C C 25 178.108 177.720 0.388 1
1 214 . 6 1 1 A 26 26 SER CA C 26 61.773 61.794 -0.021 1
1 215 . 6 1 1 A 26 26 SER HA H 26 3.836 4.036 -0.200 1
1 216 . 6 1 1 A 26 26 SER CB C 26 61.872 62.950 -1.078 1
1 219 . 6 1 1 A 26 26 SER C C 26 177.394 176.315 1.079 1
1 220 . 6 1 1 A 27 27 ARG N N 27 121.358 120.803 0.555 1
1 221 . 6 1 1 A 27 27 ARG H H 27 7.581 7.517 0.064 1
1 222 . 6 1 1 A 27 27 ARG CA C 27 58.837 58.252 0.585 1
1 223 . 6 1 1 A 27 27 ARG HA H 27 3.924 4.101 -0.177 1
1 224 . 6 1 1 A 27 27 ARG CB C 27 29.724 30.516 -0.792 1
1 233 . 6 1 1 A 27 27 ARG C C 27 179.126 178.215 0.911 1
1 234 . 6 1 1 A 28 28 LEU N N 28 121.828 120.419 1.409 1
1 235 . 6 1 1 A 28 28 LEU H H 28 7.259 7.513 -0.254 1
1 236 . 6 1 1 A 28 28 LEU CA C 28 57.978 57.928 0.050 1
1 237 . 6 1 1 A 28 28 LEU HA H 28 3.366 2.416 0.950 1
1 238 . 6 1 1 A 28 28 LEU CB C 28 40.695 41.208 -0.513 1
1 251 . 6 1 1 A 28 28 LEU C C 28 177.702 178.094 -0.392 1
1 252 . 6 1 1 A 29 29 ASN N N 29 118.482 115.832 2.650 1
1 253 . 6 1 1 A 29 29 ASN H H 29 8.579 8.426 0.153 1
1 254 . 6 1 1 A 29 29 ASN CA C 29 56.000 56.281 -0.281 1
1 255 . 6 1 1 A 29 29 ASN HA H 29 4.264 4.283 -0.019 1
1 256 . 6 1 1 A 29 29 ASN CB C 29 37.394 37.813 -0.419 1
1 262 . 6 1 1 A 29 29 ASN C C 29 178.386 178.301 0.085 1
1 263 . 6 1 1 A 30 30 ARG N N 30 119.681 118.607 1.074 1
1 264 . 6 1 1 A 30 30 ARG H H 30 7.752 8.120 -0.368 1
1 265 . 6 1 1 A 30 30 ARG CA C 30 58.915 59.603 -0.688 1
1 266 . 6 1 1 A 30 30 ARG HA H 30 4.000 3.971 0.029 1
1 267 . 6 1 1 A 30 30 ARG CB C 30 29.883 29.581 0.302 1
1 276 . 6 1 1 A 30 30 ARG C C 30 178.773 179.200 -0.427 1
1 277 . 6 1 1 A 31 31 HIS N N 31 119.307 120.396 -1.089 1
1 278 . 6 1 1 A 31 31 HIS H H 31 7.577 7.996 -0.419 1
1 279 . 6 1 1 A 31 31 HIS CA C 31 58.939 59.929 -0.990 1
1 280 . 6 1 1 A 31 31 HIS HA H 31 4.111 4.251 -0.140 1
1 281 . 6 1 1 A 31 31 HIS CB C 31 27.639 29.202 -1.563 1
1 288 . 6 1 1 A 31 31 HIS C C 31 176.358 177.885 -1.527 1
1 289 . 6 1 1 A 32 32 SER N N 32 113.043 113.881 -0.838 1
1 290 . 6 1 1 A 32 32 SER H H 32 8.442 8.305 0.137 1
1 291 . 6 1 1 A 32 32 SER CA C 32 62.184 60.964 1.220 1
1 292 . 6 1 1 A 32 32 SER HA H 32 3.814 4.227 -0.413 1
1 293 . 6 1 1 A 32 32 SER CB C 32 63.027 63.084 -0.057 1
1 296 . 6 1 1 A 32 32 SER C C 32 175.520 175.563 -0.043 1
1 297 . 6 1 1 A 33 33 MET N N 33 118.839 118.935 -0.096 1
1 298 . 6 1 1 A 33 33 MET H H 33 7.002 7.866 -0.864 1
1 299 . 6 1 1 A 33 33 MET CA C 33 57.473 56.968 0.505 1
1 300 . 6 1 1 A 33 33 MET HA H 33 4.176 4.495 -0.319 1
1 301 . 6 1 1 A 33 33 MET CB C 33 32.277 32.361 -0.084 1
1 311 . 6 1 1 A 33 33 MET C C 33 178.211 178.003 0.208 1
1 312 . 6 1 1 A 34 34 VAL N N 34 116.464 116.053 0.411 1
1 313 . 6 1 1 A 34 34 VAL H H 34 7.961 7.713 0.248 1
1 314 . 6 1 1 A 34 34 VAL CA C 34 63.927 65.409 -1.482 1
1 315 . 6 1 1 A 34 34 VAL HA H 34 3.845 3.853 -0.008 1
1 316 . 6 1 1 A 34 34 VAL CB C 34 30.987 31.044 -0.057 1
1 326 . 6 1 1 A 34 34 VAL C C 34 177.249 177.382 -0.133 1
1 327 . 6 1 1 A 35 35 HIS N N 35 116.579 119.862 -3.283 1
1 328 . 6 1 1 A 35 35 HIS H H 35 7.050 7.886 -0.836 1
1 329 . 6 1 1 A 35 35 HIS CA C 35 55.032 59.088 -4.056 1
1 330 . 6 1 1 A 35 35 HIS HA H 35 4.866 4.299 0.567 1
1 331 . 6 1 1 A 35 35 HIS CB C 35 28.597 30.371 -1.774 1
1 338 . 6 1 1 A 35 35 HIS C C 35 175.442 175.920 -0.478 1
1 339 . 6 1 1 A 36 36 THR N N 36 113.320 113.039 0.281 1
1 340 . 6 1 1 A 36 36 THR H H 36 7.617 7.549 0.068 1
1 341 . 6 1 1 A 36 36 THR CA C 36 62.572 62.884 -0.312 1
1 342 . 6 1 1 A 36 36 THR HA H 36 4.228 4.482 -0.254 1
1 343 . 6 1 1 A 36 36 THR CB C 36 69.623 70.857 -1.234 1
1 349 . 6 1 1 A 36 36 THR C C 36 174.335 174.580 -0.245 1
1 350 . 6 1 1 A 37 37 ALA N N 37 125.356 121.416 3.940 1
1 351 . 6 1 1 A 37 37 ALA H H 37 8.086 7.845 0.241 1
1 352 . 6 1 1 A 37 37 ALA CA C 37 52.577 51.503 1.074 1
1 353 . 6 1 1 A 37 37 ALA HA H 37 4.279 4.365 -0.086 1
1 354 . 6 1 1 A 37 37 ALA CB C 37 19.131 17.906 1.225 1
1 358 . 6 1 1 A 37 37 ALA C C 37 177.556 176.177 1.379 1
1 359 . 6 1 1 A 38 38 GLU N N 38 119.877 119.598 0.279 1
1 360 . 6 1 1 A 38 38 GLU H H 38 8.105 8.026 0.079 1
1 361 . 6 1 1 A 38 38 GLU CA C 38 56.451 54.853 1.598 1
1 362 . 6 1 1 A 38 38 GLU HA H 38 4.163 5.122 -0.959 1
1 363 . 6 1 1 A 38 38 GLU CB C 38 30.357 32.283 -1.926 1
1 369 . 6 1 1 A 38 38 GLU C C 38 176.160 175.307 0.853 1
1 370 . 6 1 1 A 39 39 LYS N N 39 123.534 122.816 0.718 1
1 371 . 6 1 1 A 39 39 LYS H H 39 8.259 8.923 -0.664 1
1 372 . 6 1 1 A 39 39 LYS CA C 39 54.110 53.719 0.391 1
1 373 . 6 1 1 A 39 39 LYS HA H 39 4.547 4.612 -0.065 1
1 374 . 6 1 1 A 39 39 LYS CB C 39 32.486 32.448 0.038 1
1 386 . 6 1 1 A 39 39 LYS C C 39 174.387 176.487 -2.100 1
1 387 . 6 1 1 A 40 40 PRO CA C 40 63.170 64.532 -1.362 1
1 388 . 6 1 1 A 40 40 PRO HA H 40 4.405 4.401 0.004 1
1 389 . 6 1 1 A 40 40 PRO CB C 40 32.153 31.967 0.186 1
1 398 . 6 1 1 A 41 41 SER N N 41 116.460 114.359 2.101 1
1 399 . 6 1 1 A 41 41 SER H H 41 8.499 8.249 0.250 1
1 400 . 6 1 1 A 42 42 GLY CA C 42 44.629 44.895 -0.266 1
1 401 . 6 1 1 A 42 42 GLY HA2 H 42 4.100 4.159 -0.059 1
1 402 . 6 1 1 A 42 42 GLY HA3 H 42 4.051 4.160 -0.109 1
1 403 . 6 1 1 A 43 43 PRO CA C 43 63.255 62.341 0.914 1
1 404 . 6 1 1 A 43 43 PRO HA H 43 4.417 4.699 -0.282 1
1 405 . 6 1 1 A 43 43 PRO CB C 43 32.137 30.184 1.953 1
1 414 . 6 1 1 A 44 44 SER N N 44 116.517 118.460 -1.943 1
1 415 . 6 1 1 A 44 44 SER H H 44 8.453 8.320 0.133 1
1 416 . 6 1 1 A 44 44 SER CB C 44 61.760 63.361 -1.601 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.476 44.309 1.167 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.020 4.129 -0.109 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.020 4.130 -0.110 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.552 172.452 2.100 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.807 114.654 -1.847 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.124 8.357 -0.233 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.837 59.020 2.817 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.310 5.208 -0.898 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.739 72.500 -2.761 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.300 173.345 1.955 1
1 16 . 7 1 1 A 9 9 GLY N N 9 111.107 112.846 -1.739 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.427 8.269 0.158 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.215 45.455 -0.240 1
1 19 . 7 1 1 A 9 9 GLY HA2 H 9 3.908 3.992 -0.084 1
1 20 . 7 1 1 A 9 9 GLY HA3 H 9 3.908 3.993 -0.085 1
1 21 . 7 1 1 A 9 9 GLY C C 9 174.012 174.955 -0.943 1
1 22 . 7 1 1 A 10 10 GLU N N 10 120.447 120.962 -0.515 1
1 23 . 7 1 1 A 10 10 GLU H H 10 8.157 7.942 0.215 1
1 24 . 7 1 1 A 10 10 GLU CA C 10 56.427 56.084 0.343 1
1 25 . 7 1 1 A 10 10 GLU HA H 10 4.192 4.426 -0.234 1
1 26 . 7 1 1 A 10 10 GLU CB C 10 30.579 31.037 -0.458 1
1 32 . 7 1 1 A 10 10 GLU C C 10 176.190 176.348 -0.158 1
1 33 . 7 1 1 A 11 11 LYS N N 11 123.159 121.145 2.014 1
1 34 . 7 1 1 A 11 11 LYS H H 11 8.316 8.427 -0.111 1
1 35 . 7 1 1 A 11 11 LYS CA C 11 54.101 55.127 -1.026 1
1 36 . 7 1 1 A 11 11 LYS HA H 11 4.442 4.321 0.121 1
1 37 . 7 1 1 A 11 11 LYS CB C 11 32.610 31.918 0.692 1
1 49 . 7 1 1 A 11 11 LYS C C 11 174.187 176.546 -2.359 1
1 50 . 7 1 1 A 12 12 PRO CA C 12 63.210 63.873 -0.663 1
1 51 . 7 1 1 A 12 12 PRO HA H 12 4.407 4.307 0.100 1
1 52 . 7 1 1 A 12 12 PRO CB C 12 32.232 31.282 0.950 1
1 61 . 7 1 1 A 12 12 PRO C C 12 176.447 175.666 0.781 1
1 62 . 7 1 1 A 13 13 PHE N N 13 119.708 118.512 1.196 1
1 63 . 7 1 1 A 13 13 PHE H H 13 8.425 7.589 0.836 1
1 64 . 7 1 1 A 13 13 PHE CA C 13 57.386 56.484 0.902 1
1 65 . 7 1 1 A 13 13 PHE HA H 13 4.561 5.315 -0.754 1
1 66 . 7 1 1 A 13 13 PHE CB C 13 40.677 44.098 -3.421 1
1 79 . 7 1 1 A 13 13 PHE C C 13 174.289 174.231 0.058 1
1 80 . 7 1 1 A 14 14 LYS N N 14 124.280 120.150 4.130 1
1 81 . 7 1 1 A 14 14 LYS H H 14 8.599 8.817 -0.218 1
1 82 . 7 1 1 A 14 14 LYS CA C 14 55.128 55.937 -0.809 1
1 83 . 7 1 1 A 14 14 LYS HA H 14 4.876 4.826 0.050 1
1 84 . 7 1 1 A 14 14 LYS CB C 14 35.217 36.883 -1.666 1
1 96 . 7 1 1 A 14 14 LYS C C 14 175.445 174.282 1.163 1
1 97 . 7 1 1 A 15 15 CYS N N 15 126.829 123.641 3.188 1
1 98 . 7 1 1 A 15 15 CYS H H 15 9.153 9.321 -0.168 1
1 99 . 7 1 1 A 15 15 CYS CA C 15 59.229 58.594 0.635 1
1 100 . 7 1 1 A 15 15 CYS HA H 15 4.498 4.836 -0.338 1
1 101 . 7 1 1 A 15 15 CYS CB C 15 29.719 29.448 0.271 1
1 104 . 7 1 1 A 15 15 CYS C C 15 176.812 174.466 2.346 1
1 105 . 7 1 1 A 16 16 ASP N N 16 131.329 123.273 8.056 1
1 106 . 7 1 1 A 16 16 ASP H H 16 9.242 9.007 0.235 1
1 107 . 7 1 1 A 16 16 ASP CA C 16 56.451 54.913 1.538 1
1 108 . 7 1 1 A 16 16 ASP HA H 16 4.402 4.863 -0.461 1
1 109 . 7 1 1 A 16 16 ASP CB C 16 40.727 42.385 -1.658 1
1 112 . 7 1 1 A 16 16 ASP C C 16 176.032 176.968 -0.936 1
1 113 . 7 1 1 A 17 17 ILE N N 17 121.275 118.662 2.613 1
1 114 . 7 1 1 A 17 17 ILE H H 17 8.635 7.735 0.900 1
1 115 . 7 1 1 A 17 17 ILE CA C 17 63.212 63.843 -0.631 1
1 116 . 7 1 1 A 17 17 ILE HA H 17 3.821 3.822 -0.001 1
1 117 . 7 1 1 A 17 17 ILE CB C 17 38.137 38.206 -0.069 1
1 130 . 7 1 1 A 17 17 ILE C C 17 177.086 177.685 -0.599 1
1 131 . 7 1 1 A 18 18 CYS N N 18 115.895 114.806 1.089 1
1 132 . 7 1 1 A 18 18 CYS H H 18 8.067 7.929 0.138 1
1 133 . 7 1 1 A 18 18 CYS CA C 18 58.167 58.590 -0.423 1
1 134 . 7 1 1 A 18 18 CYS HA H 18 5.107 4.681 0.426 1
1 135 . 7 1 1 A 18 18 CYS CB C 18 32.381 29.600 2.781 1
1 138 . 7 1 1 A 18 18 CYS C C 18 176.599 176.245 0.354 1
1 139 . 7 1 1 A 19 19 GLY N N 19 113.203 111.201 2.002 1
1 140 . 7 1 1 A 19 19 GLY H H 19 8.004 8.116 -0.112 1
1 141 . 7 1 1 A 19 19 GLY CA C 19 46.439 45.882 0.557 1
1 142 . 7 1 1 A 19 19 GLY HA2 H 19 3.769 3.988 -0.219 1
1 143 . 7 1 1 A 19 19 GLY HA3 H 19 4.167 4.008 0.159 1
1 144 . 7 1 1 A 19 19 GLY C C 19 173.734 174.544 -0.810 1
1 145 . 7 1 1 A 20 20 LYS N N 20 122.356 121.320 1.036 1
1 146 . 7 1 1 A 20 20 LYS H H 20 7.822 7.414 0.408 1
1 147 . 7 1 1 A 20 20 LYS CA C 20 57.737 57.010 0.727 1
1 148 . 7 1 1 A 20 20 LYS HA H 20 4.045 4.196 -0.151 1
1 149 . 7 1 1 A 20 20 LYS CB C 20 33.982 33.572 0.410 1
1 161 . 7 1 1 A 20 20 LYS C C 20 174.356 176.587 -2.231 1
1 162 . 7 1 1 A 21 21 SER N N 21 114.802 117.400 -2.598 1
1 163 . 7 1 1 A 21 21 SER H H 21 7.870 8.235 -0.365 1
1 164 . 7 1 1 A 21 21 SER CA C 21 57.281 56.471 0.810 1
1 165 . 7 1 1 A 21 21 SER HA H 21 5.187 5.410 -0.223 1
1 166 . 7 1 1 A 21 21 SER CB C 21 65.661 65.525 0.136 1
1 169 . 7 1 1 A 21 21 SER C C 21 173.041 173.797 -0.756 1
1 170 . 7 1 1 A 22 22 PHE N N 22 118.519 117.917 0.602 1
1 171 . 7 1 1 A 22 22 PHE H H 22 8.795 8.855 -0.060 1
1 172 . 7 1 1 A 22 22 PHE CA C 22 58.014 56.428 1.586 1
1 173 . 7 1 1 A 22 22 PHE HA H 22 3.364 4.935 -1.571 1
1 174 . 7 1 1 A 22 22 PHE CB C 22 44.178 42.070 2.108 1
1 187 . 7 1 1 A 22 22 PHE C C 22 175.163 175.866 -0.703 1
1 188 . 7 1 1 A 23 23 CYS CA C 23 59.537 61.684 -2.147 1
1 189 . 7 1 1 A 23 23 CYS HA H 23 4.584 4.357 0.227 1
1 190 . 7 1 1 A 23 23 CYS CB C 23 27.668 27.798 -0.130 1
1 193 . 7 1 1 A 23 23 CYS C C 23 174.498 175.212 -0.714 1
1 194 . 7 1 1 A 24 24 GLY N N 24 110.238 108.471 1.767 1
1 195 . 7 1 1 A 24 24 GLY H H 24 7.698 8.065 -0.367 1
1 196 . 7 1 1 A 24 24 GLY CA C 24 44.739 44.614 0.125 1
1 197 . 7 1 1 A 24 24 GLY HA2 H 24 4.165 4.167 -0.002 1
1 198 . 7 1 1 A 24 24 GLY HA3 H 24 3.964 4.168 -0.204 1
1 199 . 7 1 1 A 24 24 GLY C C 24 172.746 174.271 -1.525 1
1 200 . 7 1 1 A 25 25 ARG N N 25 123.007 124.510 -1.503 1
1 201 . 7 1 1 A 25 25 ARG H H 25 8.249 7.747 0.502 1
1 202 . 7 1 1 A 25 25 ARG CA C 25 58.734 58.942 -0.208 1
1 203 . 7 1 1 A 25 25 ARG HA H 25 3.118 3.296 -0.178 1
1 204 . 7 1 1 A 25 25 ARG CB C 25 29.705 29.385 0.320 1
1 213 . 7 1 1 A 25 25 ARG C C 25 178.108 177.511 0.597 1
1 214 . 7 1 1 A 26 26 SER CA C 26 61.773 61.209 0.564 1
1 215 . 7 1 1 A 26 26 SER HA H 26 3.836 3.990 -0.154 1
1 216 . 7 1 1 A 26 26 SER CB C 26 61.872 62.859 -0.987 1
1 219 . 7 1 1 A 26 26 SER C C 26 177.394 176.575 0.819 1
1 220 . 7 1 1 A 27 27 ARG N N 27 121.358 120.902 0.456 1
1 221 . 7 1 1 A 27 27 ARG H H 27 7.581 7.427 0.154 1
1 222 . 7 1 1 A 27 27 ARG CA C 27 58.837 58.228 0.609 1
1 223 . 7 1 1 A 27 27 ARG HA H 27 3.924 4.080 -0.156 1
1 224 . 7 1 1 A 27 27 ARG CB C 27 29.724 30.486 -0.762 1
1 233 . 7 1 1 A 27 27 ARG C C 27 179.126 178.205 0.921 1
1 234 . 7 1 1 A 28 28 LEU N N 28 121.828 120.420 1.408 1
1 235 . 7 1 1 A 28 28 LEU H H 28 7.259 7.484 -0.225 1
1 236 . 7 1 1 A 28 28 LEU CA C 28 57.978 58.005 -0.027 1
1 237 . 7 1 1 A 28 28 LEU HA H 28 3.366 2.466 0.900 1
1 238 . 7 1 1 A 28 28 LEU CB C 28 40.695 41.247 -0.552 1
1 251 . 7 1 1 A 28 28 LEU C C 28 177.702 177.983 -0.281 1
1 252 . 7 1 1 A 29 29 ASN N N 29 118.482 115.822 2.660 1
1 253 . 7 1 1 A 29 29 ASN H H 29 8.579 8.410 0.169 1
1 254 . 7 1 1 A 29 29 ASN CA C 29 56.000 56.377 -0.377 1
1 255 . 7 1 1 A 29 29 ASN HA H 29 4.264 4.289 -0.025 1
1 256 . 7 1 1 A 29 29 ASN CB C 29 37.394 37.748 -0.354 1
1 262 . 7 1 1 A 29 29 ASN C C 29 178.386 178.320 0.066 1
1 263 . 7 1 1 A 30 30 ARG N N 30 119.681 118.742 0.939 1
1 264 . 7 1 1 A 30 30 ARG H H 30 7.752 7.758 -0.006 1
1 265 . 7 1 1 A 30 30 ARG CA C 30 58.915 59.599 -0.684 1
1 266 . 7 1 1 A 30 30 ARG HA H 30 4.000 3.971 0.029 1
1 267 . 7 1 1 A 30 30 ARG CB C 30 29.883 29.624 0.259 1
1 276 . 7 1 1 A 30 30 ARG C C 30 178.773 179.205 -0.432 1
1 277 . 7 1 1 A 31 31 HIS N N 31 119.307 120.400 -1.093 1
1 278 . 7 1 1 A 31 31 HIS H H 31 7.577 8.006 -0.429 1
1 279 . 7 1 1 A 31 31 HIS CA C 31 58.939 59.920 -0.981 1
1 280 . 7 1 1 A 31 31 HIS HA H 31 4.111 4.244 -0.133 1
1 281 . 7 1 1 A 31 31 HIS CB C 31 27.639 29.209 -1.570 1
1 288 . 7 1 1 A 31 31 HIS C C 31 176.358 177.893 -1.535 1
1 289 . 7 1 1 A 32 32 SER N N 32 113.043 113.569 -0.526 1
1 290 . 7 1 1 A 32 32 SER H H 32 8.442 8.238 0.204 1
1 291 . 7 1 1 A 32 32 SER CA C 32 62.184 60.895 1.289 1
1 292 . 7 1 1 A 32 32 SER HA H 32 3.814 4.221 -0.407 1
1 293 . 7 1 1 A 32 32 SER CB C 32 63.027 63.039 -0.012 1
1 296 . 7 1 1 A 32 32 SER C C 32 175.520 175.671 -0.151 1
1 297 . 7 1 1 A 33 33 MET N N 33 118.839 119.015 -0.176 1
1 298 . 7 1 1 A 33 33 MET H H 33 7.002 7.838 -0.836 1
1 299 . 7 1 1 A 33 33 MET CA C 33 57.473 57.578 -0.105 1
1 300 . 7 1 1 A 33 33 MET HA H 33 4.176 4.473 -0.297 1
1 301 . 7 1 1 A 33 33 MET CB C 33 32.277 32.576 -0.299 1
1 311 . 7 1 1 A 33 33 MET C C 33 178.211 177.916 0.295 1
1 312 . 7 1 1 A 34 34 VAL N N 34 116.464 116.169 0.295 1
1 313 . 7 1 1 A 34 34 VAL H H 34 7.961 7.761 0.200 1
1 314 . 7 1 1 A 34 34 VAL CA C 34 63.927 65.511 -1.584 1
1 315 . 7 1 1 A 34 34 VAL HA H 34 3.845 3.860 -0.015 1
1 316 . 7 1 1 A 34 34 VAL CB C 34 30.987 31.061 -0.074 1
1 326 . 7 1 1 A 34 34 VAL C C 34 177.249 177.581 -0.332 1
1 327 . 7 1 1 A 35 35 HIS N N 35 116.579 119.994 -3.415 1
1 328 . 7 1 1 A 35 35 HIS H H 35 7.050 7.933 -0.883 1
1 329 . 7 1 1 A 35 35 HIS CA C 35 55.032 59.527 -4.495 1
1 330 . 7 1 1 A 35 35 HIS HA H 35 4.866 4.264 0.602 1
1 331 . 7 1 1 A 35 35 HIS CB C 35 28.597 30.352 -1.755 1
1 338 . 7 1 1 A 35 35 HIS C C 35 175.442 176.011 -0.569 1
1 339 . 7 1 1 A 36 36 THR N N 36 113.320 113.871 -0.551 1
1 340 . 7 1 1 A 36 36 THR H H 36 7.617 7.728 -0.111 1
1 341 . 7 1 1 A 36 36 THR CA C 36 62.572 63.830 -1.258 1
1 342 . 7 1 1 A 36 36 THR HA H 36 4.228 4.457 -0.229 1
1 343 . 7 1 1 A 36 36 THR CB C 36 69.623 70.138 -0.515 1
1 349 . 7 1 1 A 36 36 THR C C 36 174.335 175.548 -1.213 1
1 350 . 7 1 1 A 37 37 ALA N N 37 125.356 120.918 4.438 1
1 351 . 7 1 1 A 37 37 ALA H H 37 8.086 7.607 0.479 1
1 352 . 7 1 1 A 37 37 ALA CA C 37 52.577 52.397 0.180 1
1 353 . 7 1 1 A 37 37 ALA HA H 37 4.279 4.368 -0.089 1
1 354 . 7 1 1 A 37 37 ALA CB C 37 19.131 18.677 0.454 1
1 358 . 7 1 1 A 37 37 ALA C C 37 177.556 176.985 0.571 1
1 359 . 7 1 1 A 38 38 GLU N N 38 119.877 119.228 0.649 1
1 360 . 7 1 1 A 38 38 GLU H H 38 8.105 7.775 0.330 1
1 361 . 7 1 1 A 38 38 GLU CA C 38 56.451 55.838 0.613 1
1 362 . 7 1 1 A 38 38 GLU HA H 38 4.163 4.520 -0.357 1
1 363 . 7 1 1 A 38 38 GLU CB C 38 30.357 28.908 1.449 1
1 369 . 7 1 1 A 38 38 GLU C C 38 176.160 174.858 1.302 1
1 370 . 7 1 1 A 39 39 LYS N N 39 123.534 125.106 -1.572 1
1 371 . 7 1 1 A 39 39 LYS H H 39 8.259 8.031 0.228 1
1 372 . 7 1 1 A 39 39 LYS CA C 39 54.110 53.103 1.007 1
1 373 . 7 1 1 A 39 39 LYS HA H 39 4.547 4.772 -0.225 1
1 374 . 7 1 1 A 39 39 LYS CB C 39 32.486 33.622 -1.136 1
1 386 . 7 1 1 A 39 39 LYS C C 39 174.387 173.989 0.398 1
1 387 . 7 1 1 A 40 40 PRO CA C 40 63.170 62.746 0.424 1
1 388 . 7 1 1 A 40 40 PRO HA H 40 4.405 4.665 -0.260 1
1 389 . 7 1 1 A 40 40 PRO CB C 40 32.153 31.931 0.222 1
1 398 . 7 1 1 A 41 41 SER N N 41 116.460 113.500 2.960 1
1 399 . 7 1 1 A 41 41 SER H H 41 8.499 8.827 -0.328 1
1 400 . 7 1 1 A 42 42 GLY CA C 42 44.629 45.390 -0.761 1
1 401 . 7 1 1 A 42 42 GLY HA2 H 42 4.100 4.021 0.079 1
1 402 . 7 1 1 A 42 42 GLY HA3 H 42 4.051 4.021 0.030 1
1 403 . 7 1 1 A 43 43 PRO CA C 43 63.255 62.754 0.501 1
1 404 . 7 1 1 A 43 43 PRO HA H 43 4.417 4.740 -0.323 1
1 405 . 7 1 1 A 43 43 PRO CB C 43 32.137 33.140 -1.003 1
1 414 . 7 1 1 A 44 44 SER N N 44 116.517 116.753 -0.236 1
1 415 . 7 1 1 A 44 44 SER H H 44 8.453 8.397 0.056 1
1 416 . 7 1 1 A 44 44 SER CB C 44 61.760 66.681 -4.921 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.476 44.246 1.230 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.020 4.040 -0.020 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.020 4.043 -0.023 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.552 172.845 1.707 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.807 114.881 -2.074 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.124 8.093 0.031 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.837 59.622 2.215 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.310 4.892 -0.582 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.739 71.928 -2.189 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.300 174.031 1.269 1
1 16 . 8 1 1 A 9 9 GLY N N 9 111.107 114.675 -3.568 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.427 8.609 -0.182 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.215 45.550 -0.335 1
1 19 . 8 1 1 A 9 9 GLY HA2 H 9 3.908 3.930 -0.022 1
1 20 . 8 1 1 A 9 9 GLY HA3 H 9 3.908 3.931 -0.023 1
1 21 . 8 1 1 A 9 9 GLY C C 9 174.012 172.886 1.126 1
1 22 . 8 1 1 A 10 10 GLU N N 10 120.447 120.428 0.019 1
1 23 . 8 1 1 A 10 10 GLU H H 10 8.157 8.554 -0.397 1
1 24 . 8 1 1 A 10 10 GLU CA C 10 56.427 54.475 1.952 1
1 25 . 8 1 1 A 10 10 GLU HA H 10 4.192 5.216 -1.024 1
1 26 . 8 1 1 A 10 10 GLU CB C 10 30.579 33.868 -3.289 1
1 32 . 8 1 1 A 10 10 GLU C C 10 176.190 175.144 1.046 1
1 33 . 8 1 1 A 11 11 LYS N N 11 123.159 121.111 2.048 1
1 34 . 8 1 1 A 11 11 LYS H H 11 8.316 8.603 -0.287 1
1 35 . 8 1 1 A 11 11 LYS CA C 11 54.101 53.768 0.333 1
1 36 . 8 1 1 A 11 11 LYS HA H 11 4.442 4.736 -0.294 1
1 37 . 8 1 1 A 11 11 LYS CB C 11 32.610 32.752 -0.142 1
1 49 . 8 1 1 A 11 11 LYS C C 11 174.187 176.314 -2.127 1
1 50 . 8 1 1 A 12 12 PRO CA C 12 63.210 63.896 -0.686 1
1 51 . 8 1 1 A 12 12 PRO HA H 12 4.407 4.322 0.085 1
1 52 . 8 1 1 A 12 12 PRO CB C 12 32.232 31.236 0.996 1
1 61 . 8 1 1 A 12 12 PRO C C 12 176.447 175.709 0.738 1
1 62 . 8 1 1 A 13 13 PHE N N 13 119.708 118.545 1.163 1
1 63 . 8 1 1 A 13 13 PHE H H 13 8.425 7.596 0.829 1
1 64 . 8 1 1 A 13 13 PHE CA C 13 57.386 56.553 0.833 1
1 65 . 8 1 1 A 13 13 PHE HA H 13 4.561 5.300 -0.739 1
1 66 . 8 1 1 A 13 13 PHE CB C 13 40.677 44.113 -3.436 1
1 79 . 8 1 1 A 13 13 PHE C C 13 174.289 174.302 -0.013 1
1 80 . 8 1 1 A 14 14 LYS N N 14 124.280 120.525 3.755 1
1 81 . 8 1 1 A 14 14 LYS H H 14 8.599 8.818 -0.219 1
1 82 . 8 1 1 A 14 14 LYS CA C 14 55.128 55.870 -0.742 1
1 83 . 8 1 1 A 14 14 LYS HA H 14 4.876 4.833 0.043 1
1 84 . 8 1 1 A 14 14 LYS CB C 14 35.217 36.837 -1.620 1
1 96 . 8 1 1 A 14 14 LYS C C 14 175.445 174.239 1.206 1
1 97 . 8 1 1 A 15 15 CYS N N 15 126.829 123.651 3.178 1
1 98 . 8 1 1 A 15 15 CYS H H 15 9.153 9.326 -0.173 1
1 99 . 8 1 1 A 15 15 CYS CA C 15 59.229 58.763 0.466 1
1 100 . 8 1 1 A 15 15 CYS HA H 15 4.498 4.828 -0.330 1
1 101 . 8 1 1 A 15 15 CYS CB C 15 29.719 29.450 0.269 1
1 104 . 8 1 1 A 15 15 CYS C C 15 176.812 174.520 2.292 1
1 105 . 8 1 1 A 16 16 ASP N N 16 131.329 123.317 8.012 1
1 106 . 8 1 1 A 16 16 ASP H H 16 9.242 8.997 0.245 1
1 107 . 8 1 1 A 16 16 ASP CA C 16 56.451 54.882 1.569 1
1 108 . 8 1 1 A 16 16 ASP HA H 16 4.402 4.850 -0.448 1
1 109 . 8 1 1 A 16 16 ASP CB C 16 40.727 42.247 -1.520 1
1 112 . 8 1 1 A 16 16 ASP C C 16 176.032 176.962 -0.930 1
1 113 . 8 1 1 A 17 17 ILE N N 17 121.275 118.658 2.617 1
1 114 . 8 1 1 A 17 17 ILE H H 17 8.635 7.710 0.925 1
1 115 . 8 1 1 A 17 17 ILE CA C 17 63.212 63.837 -0.625 1
1 116 . 8 1 1 A 17 17 ILE HA H 17 3.821 3.817 0.004 1
1 117 . 8 1 1 A 17 17 ILE CB C 17 38.137 38.187 -0.050 1
1 130 . 8 1 1 A 17 17 ILE C C 17 177.086 177.692 -0.606 1
1 131 . 8 1 1 A 18 18 CYS N N 18 115.895 114.803 1.092 1
1 132 . 8 1 1 A 18 18 CYS H H 18 8.067 7.925 0.142 1
1 133 . 8 1 1 A 18 18 CYS CA C 18 58.167 58.588 -0.421 1
1 134 . 8 1 1 A 18 18 CYS HA H 18 5.107 4.680 0.427 1
1 135 . 8 1 1 A 18 18 CYS CB C 18 32.381 29.628 2.753 1
1 138 . 8 1 1 A 18 18 CYS C C 18 176.599 176.253 0.346 1
1 139 . 8 1 1 A 19 19 GLY N N 19 113.203 111.268 1.935 1
1 140 . 8 1 1 A 19 19 GLY H H 19 8.004 8.127 -0.123 1
1 141 . 8 1 1 A 19 19 GLY CA C 19 46.439 45.880 0.559 1
1 142 . 8 1 1 A 19 19 GLY HA2 H 19 3.769 3.993 -0.224 1
1 143 . 8 1 1 A 19 19 GLY HA3 H 19 4.167 4.012 0.155 1
1 144 . 8 1 1 A 19 19 GLY C C 19 173.734 174.559 -0.825 1
1 145 . 8 1 1 A 20 20 LYS N N 20 122.356 121.213 1.143 1
1 146 . 8 1 1 A 20 20 LYS H H 20 7.822 7.414 0.408 1
1 147 . 8 1 1 A 20 20 LYS CA C 20 57.737 57.146 0.591 1
1 148 . 8 1 1 A 20 20 LYS HA H 20 4.045 4.213 -0.168 1
1 149 . 8 1 1 A 20 20 LYS CB C 20 33.982 33.590 0.392 1
1 161 . 8 1 1 A 20 20 LYS C C 20 174.356 176.651 -2.295 1
1 162 . 8 1 1 A 21 21 SER N N 21 114.802 117.569 -2.767 1
1 163 . 8 1 1 A 21 21 SER H H 21 7.870 8.253 -0.383 1
1 164 . 8 1 1 A 21 21 SER CA C 21 57.281 56.581 0.700 1
1 165 . 8 1 1 A 21 21 SER HA H 21 5.187 5.389 -0.202 1
1 166 . 8 1 1 A 21 21 SER CB C 21 65.661 65.396 0.265 1
1 169 . 8 1 1 A 21 21 SER C C 21 173.041 173.981 -0.940 1
1 170 . 8 1 1 A 22 22 PHE N N 22 118.519 118.131 0.388 1
1 171 . 8 1 1 A 22 22 PHE H H 22 8.795 8.865 -0.070 1
1 172 . 8 1 1 A 22 22 PHE CA C 22 58.014 56.494 1.520 1
1 173 . 8 1 1 A 22 22 PHE HA H 22 3.364 4.972 -1.608 1
1 174 . 8 1 1 A 22 22 PHE CB C 22 44.178 41.980 2.198 1
1 187 . 8 1 1 A 22 22 PHE C C 22 175.163 175.887 -0.724 1
1 188 . 8 1 1 A 23 23 CYS CA C 23 59.537 61.782 -2.245 1
1 189 . 8 1 1 A 23 23 CYS HA H 23 4.584 4.368 0.216 1
1 190 . 8 1 1 A 23 23 CYS CB C 23 27.668 27.639 0.029 1
1 193 . 8 1 1 A 23 23 CYS C C 23 174.498 175.136 -0.638 1
1 194 . 8 1 1 A 24 24 GLY N N 24 110.238 108.454 1.784 1
1 195 . 8 1 1 A 24 24 GLY H H 24 7.698 8.011 -0.313 1
1 196 . 8 1 1 A 24 24 GLY CA C 24 44.739 44.556 0.183 1
1 197 . 8 1 1 A 24 24 GLY HA2 H 24 4.165 4.126 0.039 1
1 198 . 8 1 1 A 24 24 GLY HA3 H 24 3.964 4.151 -0.187 1
1 199 . 8 1 1 A 24 24 GLY C C 24 172.746 174.215 -1.469 1
1 200 . 8 1 1 A 25 25 ARG N N 25 123.007 124.724 -1.717 1
1 201 . 8 1 1 A 25 25 ARG H H 25 8.249 7.683 0.566 1
1 202 . 8 1 1 A 25 25 ARG CA C 25 58.734 58.928 -0.194 1
1 203 . 8 1 1 A 25 25 ARG HA H 25 3.118 3.275 -0.157 1
1 204 . 8 1 1 A 25 25 ARG CB C 25 29.705 29.413 0.292 1
1 213 . 8 1 1 A 25 25 ARG C C 25 178.108 177.582 0.526 1
1 214 . 8 1 1 A 26 26 SER CA C 26 61.773 61.453 0.320 1
1 215 . 8 1 1 A 26 26 SER HA H 26 3.836 4.181 -0.345 1
1 216 . 8 1 1 A 26 26 SER CB C 26 61.872 62.802 -0.930 1
1 219 . 8 1 1 A 26 26 SER C C 26 177.394 176.163 1.231 1
1 220 . 8 1 1 A 27 27 ARG N N 27 121.358 121.046 0.312 1
1 221 . 8 1 1 A 27 27 ARG H H 27 7.581 7.458 0.123 1
1 222 . 8 1 1 A 27 27 ARG CA C 27 58.837 58.251 0.586 1
1 223 . 8 1 1 A 27 27 ARG HA H 27 3.924 4.106 -0.182 1
1 224 . 8 1 1 A 27 27 ARG CB C 27 29.724 30.529 -0.805 1
1 233 . 8 1 1 A 27 27 ARG C C 27 179.126 178.286 0.840 1
1 234 . 8 1 1 A 28 28 LEU N N 28 121.828 120.446 1.382 1
1 235 . 8 1 1 A 28 28 LEU H H 28 7.259 7.555 -0.296 1
1 236 . 8 1 1 A 28 28 LEU CA C 28 57.978 57.890 0.088 1
1 237 . 8 1 1 A 28 28 LEU HA H 28 3.366 2.407 0.959 1
1 238 . 8 1 1 A 28 28 LEU CB C 28 40.695 41.198 -0.503 1
1 251 . 8 1 1 A 28 28 LEU C C 28 177.702 178.100 -0.398 1
1 252 . 8 1 1 A 29 29 ASN N N 29 118.482 115.815 2.667 1
1 253 . 8 1 1 A 29 29 ASN H H 29 8.579 8.441 0.138 1
1 254 . 8 1 1 A 29 29 ASN CA C 29 56.000 56.296 -0.296 1
1 255 . 8 1 1 A 29 29 ASN HA H 29 4.264 4.288 -0.024 1
1 256 . 8 1 1 A 29 29 ASN CB C 29 37.394 37.758 -0.364 1
1 262 . 8 1 1 A 29 29 ASN C C 29 178.386 178.340 0.046 1
1 263 . 8 1 1 A 30 30 ARG N N 30 119.681 118.726 0.955 1
1 264 . 8 1 1 A 30 30 ARG H H 30 7.752 8.087 -0.335 1
1 265 . 8 1 1 A 30 30 ARG CA C 30 58.915 59.688 -0.773 1
1 266 . 8 1 1 A 30 30 ARG HA H 30 4.000 3.975 0.025 1
1 267 . 8 1 1 A 30 30 ARG CB C 30 29.883 29.592 0.291 1
1 276 . 8 1 1 A 30 30 ARG C C 30 178.773 179.193 -0.420 1
1 277 . 8 1 1 A 31 31 HIS N N 31 119.307 120.336 -1.029 1
1 278 . 8 1 1 A 31 31 HIS H H 31 7.577 8.020 -0.443 1
1 279 . 8 1 1 A 31 31 HIS CA C 31 58.939 59.731 -0.792 1
1 280 . 8 1 1 A 31 31 HIS HA H 31 4.111 4.266 -0.155 1
1 281 . 8 1 1 A 31 31 HIS CB C 31 27.639 29.188 -1.549 1
1 288 . 8 1 1 A 31 31 HIS C C 31 176.358 177.946 -1.588 1
1 289 . 8 1 1 A 32 32 SER N N 32 113.043 113.872 -0.829 1
1 290 . 8 1 1 A 32 32 SER H H 32 8.442 8.289 0.153 1
1 291 . 8 1 1 A 32 32 SER CA C 32 62.184 60.952 1.232 1
1 292 . 8 1 1 A 32 32 SER HA H 32 3.814 4.206 -0.392 1
1 293 . 8 1 1 A 32 32 SER CB C 32 63.027 63.074 -0.047 1
1 296 . 8 1 1 A 32 32 SER C C 32 175.520 175.665 -0.145 1
1 297 . 8 1 1 A 33 33 MET N N 33 118.839 118.938 -0.099 1
1 298 . 8 1 1 A 33 33 MET H H 33 7.002 7.776 -0.774 1
1 299 . 8 1 1 A 33 33 MET CA C 33 57.473 57.277 0.196 1
1 300 . 8 1 1 A 33 33 MET HA H 33 4.176 4.491 -0.315 1
1 301 . 8 1 1 A 33 33 MET CB C 33 32.277 32.548 -0.271 1
1 311 . 8 1 1 A 33 33 MET C C 33 178.211 177.934 0.277 1
1 312 . 8 1 1 A 34 34 VAL N N 34 116.464 116.107 0.357 1
1 313 . 8 1 1 A 34 34 VAL H H 34 7.961 7.710 0.251 1
1 314 . 8 1 1 A 34 34 VAL CA C 34 63.927 65.572 -1.645 1
1 315 . 8 1 1 A 34 34 VAL HA H 34 3.845 3.847 -0.002 1
1 316 . 8 1 1 A 34 34 VAL CB C 34 30.987 31.080 -0.093 1
1 326 . 8 1 1 A 34 34 VAL C C 34 177.249 177.600 -0.351 1
1 327 . 8 1 1 A 35 35 HIS N N 35 116.579 119.745 -3.166 1
1 328 . 8 1 1 A 35 35 HIS H H 35 7.050 7.967 -0.917 1
1 329 . 8 1 1 A 35 35 HIS CA C 35 55.032 59.133 -4.101 1
1 330 . 8 1 1 A 35 35 HIS HA H 35 4.866 4.327 0.539 1
1 331 . 8 1 1 A 35 35 HIS CB C 35 28.597 30.370 -1.773 1
1 338 . 8 1 1 A 35 35 HIS C C 35 175.442 175.653 -0.211 1
1 339 . 8 1 1 A 36 36 THR N N 36 113.320 112.336 0.984 1
1 340 . 8 1 1 A 36 36 THR H H 36 7.617 7.452 0.165 1
1 341 . 8 1 1 A 36 36 THR CA C 36 62.572 61.120 1.452 1
1 342 . 8 1 1 A 36 36 THR HA H 36 4.228 4.441 -0.213 1
1 343 . 8 1 1 A 36 36 THR CB C 36 69.623 69.249 0.374 1
1 349 . 8 1 1 A 36 36 THR C C 36 174.335 174.940 -0.605 1
1 350 . 8 1 1 A 37 37 ALA N N 37 125.356 125.535 -0.179 1
1 351 . 8 1 1 A 37 37 ALA H H 37 8.086 7.384 0.702 1
1 352 . 8 1 1 A 37 37 ALA CA C 37 52.577 51.220 1.357 1
1 353 . 8 1 1 A 37 37 ALA HA H 37 4.279 4.457 -0.178 1
1 354 . 8 1 1 A 37 37 ALA CB C 37 19.131 17.771 1.360 1
1 358 . 8 1 1 A 37 37 ALA C C 37 177.556 175.966 1.590 1
1 359 . 8 1 1 A 38 38 GLU N N 38 119.877 118.920 0.957 1
1 360 . 8 1 1 A 38 38 GLU H H 38 8.105 8.108 -0.003 1
1 361 . 8 1 1 A 38 38 GLU CA C 38 56.451 54.641 1.810 1
1 362 . 8 1 1 A 38 38 GLU HA H 38 4.163 4.893 -0.730 1
1 363 . 8 1 1 A 38 38 GLU CB C 38 30.357 34.418 -4.061 1
1 369 . 8 1 1 A 38 38 GLU C C 38 176.160 175.114 1.046 1
1 370 . 8 1 1 A 39 39 LYS N N 39 123.534 123.605 -0.071 1
1 371 . 8 1 1 A 39 39 LYS H H 39 8.259 8.467 -0.208 1
1 372 . 8 1 1 A 39 39 LYS CA C 39 54.110 54.570 -0.460 1
1 373 . 8 1 1 A 39 39 LYS HA H 39 4.547 4.341 0.206 1
1 374 . 8 1 1 A 39 39 LYS CB C 39 32.486 33.117 -0.631 1
1 386 . 8 1 1 A 39 39 LYS C C 39 174.387 175.261 -0.874 1
1 387 . 8 1 1 A 40 40 PRO CA C 40 63.170 62.605 0.565 1
1 388 . 8 1 1 A 40 40 PRO HA H 40 4.405 4.721 -0.316 1
1 389 . 8 1 1 A 40 40 PRO CB C 40 32.153 30.376 1.777 1
1 398 . 8 1 1 A 41 41 SER N N 41 116.460 113.661 2.799 1
1 399 . 8 1 1 A 41 41 SER H H 41 8.499 8.210 0.289 1
1 400 . 8 1 1 A 42 42 GLY CA C 42 44.629 44.456 0.173 1
1 401 . 8 1 1 A 42 42 GLY HA2 H 42 4.100 4.140 -0.040 1
1 402 . 8 1 1 A 42 42 GLY HA3 H 42 4.051 4.141 -0.090 1
1 403 . 8 1 1 A 43 43 PRO CA C 43 63.255 62.552 0.703 1
1 404 . 8 1 1 A 43 43 PRO HA H 43 4.417 4.594 -0.177 1
1 405 . 8 1 1 A 43 43 PRO CB C 43 32.137 32.597 -0.460 1
1 414 . 8 1 1 A 44 44 SER N N 44 116.517 118.985 -2.468 1
1 415 . 8 1 1 A 44 44 SER H H 44 8.453 8.939 -0.486 1
1 416 . 8 1 1 A 44 44 SER CB C 44 61.760 62.746 -0.986 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.476 45.472 0.004 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.020 4.151 -0.131 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.020 4.152 -0.132 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.552 174.391 0.161 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.807 113.821 -1.014 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.124 8.414 -0.290 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.837 62.325 -0.488 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.310 4.583 -0.273 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.739 69.964 -0.225 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.300 174.816 0.484 1
1 16 . 9 1 1 A 9 9 GLY N N 9 111.107 109.395 1.712 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.427 7.870 0.557 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.215 44.914 0.301 1
1 19 . 9 1 1 A 9 9 GLY HA2 H 9 3.908 4.259 -0.351 1
1 20 . 9 1 1 A 9 9 GLY HA3 H 9 3.908 4.259 -0.351 1
1 21 . 9 1 1 A 9 9 GLY C C 9 174.012 172.472 1.540 1
1 22 . 9 1 1 A 10 10 GLU N N 10 120.447 124.619 -4.172 1
1 23 . 9 1 1 A 10 10 GLU H H 10 8.157 8.904 -0.747 1
1 24 . 9 1 1 A 10 10 GLU CA C 10 56.427 54.278 2.149 1
1 25 . 9 1 1 A 10 10 GLU HA H 10 4.192 4.931 -0.739 1
1 26 . 9 1 1 A 10 10 GLU CB C 10 30.579 33.914 -3.335 1
1 32 . 9 1 1 A 10 10 GLU C C 10 176.190 175.651 0.539 1
1 33 . 9 1 1 A 11 11 LYS N N 11 123.159 120.926 2.233 1
1 34 . 9 1 1 A 11 11 LYS H H 11 8.316 8.558 -0.242 1
1 35 . 9 1 1 A 11 11 LYS CA C 11 54.101 54.247 -0.146 1
1 36 . 9 1 1 A 11 11 LYS HA H 11 4.442 4.624 -0.182 1
1 37 . 9 1 1 A 11 11 LYS CB C 11 32.610 32.343 0.267 1
1 49 . 9 1 1 A 11 11 LYS C C 11 174.187 176.438 -2.251 1
1 50 . 9 1 1 A 12 12 PRO CA C 12 63.210 63.877 -0.667 1
1 51 . 9 1 1 A 12 12 PRO HA H 12 4.407 4.300 0.107 1
1 52 . 9 1 1 A 12 12 PRO CB C 12 32.232 31.214 1.018 1
1 61 . 9 1 1 A 12 12 PRO C C 12 176.447 175.688 0.759 1
1 62 . 9 1 1 A 13 13 PHE N N 13 119.708 118.506 1.202 1
1 63 . 9 1 1 A 13 13 PHE H H 13 8.425 7.591 0.834 1
1 64 . 9 1 1 A 13 13 PHE CA C 13 57.386 56.483 0.903 1
1 65 . 9 1 1 A 13 13 PHE HA H 13 4.561 5.313 -0.752 1
1 66 . 9 1 1 A 13 13 PHE CB C 13 40.677 44.103 -3.426 1
1 79 . 9 1 1 A 13 13 PHE C C 13 174.289 174.232 0.057 1
1 80 . 9 1 1 A 14 14 LYS N N 14 124.280 120.151 4.129 1
1 81 . 9 1 1 A 14 14 LYS H H 14 8.599 8.807 -0.208 1
1 82 . 9 1 1 A 14 14 LYS CA C 14 55.128 55.953 -0.825 1
1 83 . 9 1 1 A 14 14 LYS HA H 14 4.876 4.842 0.034 1
1 84 . 9 1 1 A 14 14 LYS CB C 14 35.217 36.570 -1.353 1
1 96 . 9 1 1 A 14 14 LYS C C 14 175.445 174.239 1.206 1
1 97 . 9 1 1 A 15 15 CYS N N 15 126.829 123.648 3.181 1
1 98 . 9 1 1 A 15 15 CYS H H 15 9.153 9.419 -0.266 1
1 99 . 9 1 1 A 15 15 CYS CA C 15 59.229 58.648 0.581 1
1 100 . 9 1 1 A 15 15 CYS HA H 15 4.498 4.791 -0.293 1
1 101 . 9 1 1 A 15 15 CYS CB C 15 29.719 29.448 0.271 1
1 104 . 9 1 1 A 15 15 CYS C C 15 176.812 174.452 2.360 1
1 105 . 9 1 1 A 16 16 ASP N N 16 131.329 123.338 7.991 1
1 106 . 9 1 1 A 16 16 ASP H H 16 9.242 9.023 0.219 1
1 107 . 9 1 1 A 16 16 ASP CA C 16 56.451 54.877 1.574 1
1 108 . 9 1 1 A 16 16 ASP HA H 16 4.402 4.891 -0.489 1
1 109 . 9 1 1 A 16 16 ASP CB C 16 40.727 42.387 -1.660 1
1 112 . 9 1 1 A 16 16 ASP C C 16 176.032 176.727 -0.695 1
1 113 . 9 1 1 A 17 17 ILE N N 17 121.275 117.820 3.455 1
1 114 . 9 1 1 A 17 17 ILE H H 17 8.635 7.692 0.943 1
1 115 . 9 1 1 A 17 17 ILE CA C 17 63.212 63.680 -0.468 1
1 116 . 9 1 1 A 17 17 ILE HA H 17 3.821 3.821 0.000 1
1 117 . 9 1 1 A 17 17 ILE CB C 17 38.137 38.191 -0.054 1
1 130 . 9 1 1 A 17 17 ILE C C 17 177.086 177.642 -0.556 1
1 131 . 9 1 1 A 18 18 CYS N N 18 115.895 115.116 0.779 1
1 132 . 9 1 1 A 18 18 CYS H H 18 8.067 7.929 0.138 1
1 133 . 9 1 1 A 18 18 CYS CA C 18 58.167 58.590 -0.423 1
1 134 . 9 1 1 A 18 18 CYS HA H 18 5.107 4.687 0.420 1
1 135 . 9 1 1 A 18 18 CYS CB C 18 32.381 29.724 2.657 1
1 138 . 9 1 1 A 18 18 CYS C C 18 176.599 176.252 0.347 1
1 139 . 9 1 1 A 19 19 GLY N N 19 113.203 111.265 1.938 1
1 140 . 9 1 1 A 19 19 GLY H H 19 8.004 8.134 -0.130 1
1 141 . 9 1 1 A 19 19 GLY CA C 19 46.439 45.886 0.553 1
1 142 . 9 1 1 A 19 19 GLY HA2 H 19 3.769 3.990 -0.221 1
1 143 . 9 1 1 A 19 19 GLY HA3 H 19 4.167 4.009 0.158 1
1 144 . 9 1 1 A 19 19 GLY C C 19 173.734 174.556 -0.822 1
1 145 . 9 1 1 A 20 20 LYS N N 20 122.356 121.252 1.104 1
1 146 . 9 1 1 A 20 20 LYS H H 20 7.822 7.407 0.415 1
1 147 . 9 1 1 A 20 20 LYS CA C 20 57.737 57.030 0.707 1
1 148 . 9 1 1 A 20 20 LYS HA H 20 4.045 4.219 -0.174 1
1 149 . 9 1 1 A 20 20 LYS CB C 20 33.982 33.643 0.339 1
1 161 . 9 1 1 A 20 20 LYS C C 20 174.356 176.734 -2.378 1
1 162 . 9 1 1 A 21 21 SER N N 21 114.802 117.532 -2.730 1
1 163 . 9 1 1 A 21 21 SER H H 21 7.870 8.259 -0.389 1
1 164 . 9 1 1 A 21 21 SER CA C 21 57.281 56.620 0.661 1
1 165 . 9 1 1 A 21 21 SER HA H 21 5.187 5.395 -0.208 1
1 166 . 9 1 1 A 21 21 SER CB C 21 65.661 65.588 0.073 1
1 169 . 9 1 1 A 21 21 SER C C 21 173.041 173.986 -0.945 1
1 170 . 9 1 1 A 22 22 PHE N N 22 118.519 118.130 0.389 1
1 171 . 9 1 1 A 22 22 PHE H H 22 8.795 8.912 -0.117 1
1 172 . 9 1 1 A 22 22 PHE CA C 22 58.014 56.494 1.520 1
1 173 . 9 1 1 A 22 22 PHE HA H 22 3.364 4.966 -1.602 1
1 174 . 9 1 1 A 22 22 PHE CB C 22 44.178 41.744 2.434 1
1 187 . 9 1 1 A 22 22 PHE C C 22 175.163 175.805 -0.642 1
1 188 . 9 1 1 A 23 23 CYS CA C 23 59.537 61.515 -1.978 1
1 189 . 9 1 1 A 23 23 CYS HA H 23 4.584 4.370 0.214 1
1 190 . 9 1 1 A 23 23 CYS CB C 23 27.668 27.555 0.113 1
1 193 . 9 1 1 A 23 23 CYS C C 23 174.498 175.226 -0.728 1
1 194 . 9 1 1 A 24 24 GLY N N 24 110.238 108.810 1.428 1
1 195 . 9 1 1 A 24 24 GLY H H 24 7.698 8.033 -0.335 1
1 196 . 9 1 1 A 24 24 GLY CA C 24 44.739 44.690 0.049 1
1 197 . 9 1 1 A 24 24 GLY HA2 H 24 4.165 4.194 -0.029 1
1 198 . 9 1 1 A 24 24 GLY HA3 H 24 3.964 4.209 -0.245 1
1 199 . 9 1 1 A 24 24 GLY C C 24 172.746 174.154 -1.408 1
1 200 . 9 1 1 A 25 25 ARG N N 25 123.007 124.695 -1.688 1
1 201 . 9 1 1 A 25 25 ARG H H 25 8.249 7.448 0.801 1
1 202 . 9 1 1 A 25 25 ARG CA C 25 58.734 58.770 -0.036 1
1 203 . 9 1 1 A 25 25 ARG HA H 25 3.118 3.264 -0.146 1
1 204 . 9 1 1 A 25 25 ARG CB C 25 29.705 29.352 0.353 1
1 213 . 9 1 1 A 25 25 ARG C C 25 178.108 177.577 0.531 1
1 214 . 9 1 1 A 26 26 SER CA C 26 61.773 61.194 0.579 1
1 215 . 9 1 1 A 26 26 SER HA H 26 3.836 4.004 -0.168 1
1 216 . 9 1 1 A 26 26 SER CB C 26 61.872 63.027 -1.155 1
1 219 . 9 1 1 A 26 26 SER C C 26 177.394 176.594 0.800 1
1 220 . 9 1 1 A 27 27 ARG N N 27 121.358 121.386 -0.028 1
1 221 . 9 1 1 A 27 27 ARG H H 27 7.581 8.076 -0.495 1
1 222 . 9 1 1 A 27 27 ARG CA C 27 58.837 58.947 -0.110 1
1 223 . 9 1 1 A 27 27 ARG HA H 27 3.924 4.186 -0.262 1
1 224 . 9 1 1 A 27 27 ARG CB C 27 29.724 30.687 -0.963 1
1 233 . 9 1 1 A 27 27 ARG C C 27 179.126 178.169 0.957 1
1 234 . 9 1 1 A 28 28 LEU N N 28 121.828 121.221 0.607 1
1 235 . 9 1 1 A 28 28 LEU H H 28 7.259 7.374 -0.115 1
1 236 . 9 1 1 A 28 28 LEU CA C 28 57.978 57.949 0.029 1
1 237 . 9 1 1 A 28 28 LEU HA H 28 3.366 2.424 0.942 1
1 238 . 9 1 1 A 28 28 LEU CB C 28 40.695 41.194 -0.499 1
1 251 . 9 1 1 A 28 28 LEU C C 28 177.702 177.947 -0.245 1
1 252 . 9 1 1 A 29 29 ASN N N 29 118.482 115.870 2.612 1
1 253 . 9 1 1 A 29 29 ASN H H 29 8.579 8.464 0.115 1
1 254 . 9 1 1 A 29 29 ASN CA C 29 56.000 56.279 -0.279 1
1 255 . 9 1 1 A 29 29 ASN HA H 29 4.264 4.280 -0.016 1
1 256 . 9 1 1 A 29 29 ASN CB C 29 37.394 37.812 -0.418 1
1 262 . 9 1 1 A 29 29 ASN C C 29 178.386 178.331 0.055 1
1 263 . 9 1 1 A 30 30 ARG N N 30 119.681 118.608 1.073 1
1 264 . 9 1 1 A 30 30 ARG H H 30 7.752 8.162 -0.410 1
1 265 . 9 1 1 A 30 30 ARG CA C 30 58.915 59.505 -0.590 1
1 266 . 9 1 1 A 30 30 ARG HA H 30 4.000 3.967 0.033 1
1 267 . 9 1 1 A 30 30 ARG CB C 30 29.883 29.844 0.039 1
1 276 . 9 1 1 A 30 30 ARG C C 30 178.773 179.186 -0.413 1
1 277 . 9 1 1 A 31 31 HIS N N 31 119.307 120.421 -1.114 1
1 278 . 9 1 1 A 31 31 HIS H H 31 7.577 8.176 -0.599 1
1 279 . 9 1 1 A 31 31 HIS CA C 31 58.939 59.746 -0.807 1
1 280 . 9 1 1 A 31 31 HIS HA H 31 4.111 4.262 -0.151 1
1 281 . 9 1 1 A 31 31 HIS CB C 31 27.639 29.182 -1.543 1
1 288 . 9 1 1 A 31 31 HIS C C 31 176.358 177.845 -1.487 1
1 289 . 9 1 1 A 32 32 SER N N 32 113.043 113.727 -0.684 1
1 290 . 9 1 1 A 32 32 SER H H 32 8.442 8.407 0.035 1
1 291 . 9 1 1 A 32 32 SER CA C 32 62.184 60.959 1.225 1
1 292 . 9 1 1 A 32 32 SER HA H 32 3.814 4.225 -0.411 1
1 293 . 9 1 1 A 32 32 SER CB C 32 63.027 63.046 -0.019 1
1 296 . 9 1 1 A 32 32 SER C C 32 175.520 175.609 -0.089 1
1 297 . 9 1 1 A 33 33 MET N N 33 118.839 119.010 -0.171 1
1 298 . 9 1 1 A 33 33 MET H H 33 7.002 7.776 -0.774 1
1 299 . 9 1 1 A 33 33 MET CA C 33 57.473 57.170 0.303 1
1 300 . 9 1 1 A 33 33 MET HA H 33 4.176 4.486 -0.310 1
1 301 . 9 1 1 A 33 33 MET CB C 33 32.277 32.548 -0.271 1
1 311 . 9 1 1 A 33 33 MET C C 33 178.211 177.927 0.284 1
1 312 . 9 1 1 A 34 34 VAL N N 34 116.464 116.094 0.370 1
1 313 . 9 1 1 A 34 34 VAL H H 34 7.961 7.759 0.202 1
1 314 . 9 1 1 A 34 34 VAL CA C 34 63.927 65.454 -1.527 1
1 315 . 9 1 1 A 34 34 VAL HA H 34 3.845 3.840 0.005 1
1 316 . 9 1 1 A 34 34 VAL CB C 34 30.987 31.059 -0.072 1
1 326 . 9 1 1 A 34 34 VAL C C 34 177.249 177.465 -0.216 1
1 327 . 9 1 1 A 35 35 HIS N N 35 116.579 119.778 -3.199 1
1 328 . 9 1 1 A 35 35 HIS H H 35 7.050 7.932 -0.882 1
1 329 . 9 1 1 A 35 35 HIS CA C 35 55.032 59.132 -4.100 1
1 330 . 9 1 1 A 35 35 HIS HA H 35 4.866 4.355 0.511 1
1 331 . 9 1 1 A 35 35 HIS CB C 35 28.597 30.549 -1.952 1
1 338 . 9 1 1 A 35 35 HIS C C 35 175.442 175.482 -0.040 1
1 339 . 9 1 1 A 36 36 THR N N 36 113.320 111.758 1.562 1
1 340 . 9 1 1 A 36 36 THR H H 36 7.617 7.397 0.220 1
1 341 . 9 1 1 A 36 36 THR CA C 36 62.572 61.015 1.557 1
1 342 . 9 1 1 A 36 36 THR HA H 36 4.228 4.434 -0.206 1
1 343 . 9 1 1 A 36 36 THR CB C 36 69.623 69.230 0.393 1
1 349 . 9 1 1 A 36 36 THR C C 36 174.335 174.372 -0.037 1
1 350 . 9 1 1 A 37 37 ALA N N 37 125.356 125.887 -0.531 1
1 351 . 9 1 1 A 37 37 ALA H H 37 8.086 7.430 0.656 1
1 352 . 9 1 1 A 37 37 ALA CA C 37 52.577 51.719 0.858 1
1 353 . 9 1 1 A 37 37 ALA HA H 37 4.279 4.318 -0.039 1
1 354 . 9 1 1 A 37 37 ALA CB C 37 19.131 17.439 1.692 1
1 358 . 9 1 1 A 37 37 ALA C C 37 177.556 175.765 1.791 1
1 359 . 9 1 1 A 38 38 GLU N N 38 119.877 121.018 -1.141 1
1 360 . 9 1 1 A 38 38 GLU H H 38 8.105 8.256 -0.151 1
1 361 . 9 1 1 A 38 38 GLU CA C 38 56.451 54.652 1.799 1
1 362 . 9 1 1 A 38 38 GLU HA H 38 4.163 4.902 -0.739 1
1 363 . 9 1 1 A 38 38 GLU CB C 38 30.357 33.114 -2.757 1
1 369 . 9 1 1 A 38 38 GLU C C 38 176.160 175.402 0.758 1
1 370 . 9 1 1 A 39 39 LYS N N 39 123.534 123.835 -0.301 1
1 371 . 9 1 1 A 39 39 LYS H H 39 8.259 8.843 -0.584 1
1 372 . 9 1 1 A 39 39 LYS CA C 39 54.110 53.863 0.247 1
1 373 . 9 1 1 A 39 39 LYS HA H 39 4.547 4.614 -0.067 1
1 374 . 9 1 1 A 39 39 LYS CB C 39 32.486 31.913 0.573 1
1 386 . 9 1 1 A 39 39 LYS C C 39 174.387 176.330 -1.943 1
1 387 . 9 1 1 A 40 40 PRO CA C 40 63.170 63.901 -0.731 1
1 388 . 9 1 1 A 40 40 PRO HA H 40 4.405 4.458 -0.053 1
1 389 . 9 1 1 A 40 40 PRO CB C 40 32.153 31.458 0.695 1
1 398 . 9 1 1 A 41 41 SER N N 41 116.460 115.671 0.789 1
1 399 . 9 1 1 A 41 41 SER H H 41 8.499 8.056 0.443 1
1 400 . 9 1 1 A 42 42 GLY CA C 42 44.629 44.232 0.397 1
1 401 . 9 1 1 A 42 42 GLY HA2 H 42 4.100 4.094 0.006 1
1 402 . 9 1 1 A 42 42 GLY HA3 H 42 4.051 4.094 -0.043 1
1 403 . 9 1 1 A 43 43 PRO CA C 43 63.255 62.711 0.544 1
1 404 . 9 1 1 A 43 43 PRO HA H 43 4.417 4.577 -0.160 1
1 405 . 9 1 1 A 43 43 PRO CB C 43 32.137 32.027 0.110 1
1 414 . 9 1 1 A 44 44 SER N N 44 116.517 119.200 -2.683 1
1 415 . 9 1 1 A 44 44 SER H H 44 8.453 8.341 0.112 1
1 416 . 9 1 1 A 44 44 SER CB C 44 61.760 64.247 -2.487 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.476 46.110 -0.634 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.020 4.090 -0.070 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.020 4.090 -0.070 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.552 171.083 3.469 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.807 114.149 -1.342 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.124 8.387 -0.263 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.837 59.419 2.418 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.310 5.192 -0.882 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.739 71.420 -1.681 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.300 173.007 2.293 1
1 16 . 10 1 1 A 9 9 GLY N N 9 111.107 111.596 -0.489 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.427 8.317 0.110 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.215 44.648 0.567 1
1 19 . 10 1 1 A 9 9 GLY HA2 H 9 3.908 4.112 -0.204 1
1 20 . 10 1 1 A 9 9 GLY HA3 H 9 3.908 4.112 -0.204 1
1 21 . 10 1 1 A 9 9 GLY C C 9 174.012 172.305 1.707 1
1 22 . 10 1 1 A 10 10 GLU N N 10 120.447 119.588 0.859 1
1 23 . 10 1 1 A 10 10 GLU H H 10 8.157 8.368 -0.211 1
1 24 . 10 1 1 A 10 10 GLU CA C 10 56.427 55.873 0.554 1
1 25 . 10 1 1 A 10 10 GLU HA H 10 4.192 4.387 -0.195 1
1 26 . 10 1 1 A 10 10 GLU CB C 10 30.579 31.251 -0.672 1
1 32 . 10 1 1 A 10 10 GLU C C 10 176.190 176.931 -0.741 1
1 33 . 10 1 1 A 11 11 LYS N N 11 123.159 121.089 2.070 1
1 34 . 10 1 1 A 11 11 LYS H H 11 8.316 8.727 -0.411 1
1 35 . 10 1 1 A 11 11 LYS CA C 11 54.101 54.575 -0.474 1
1 36 . 10 1 1 A 11 11 LYS HA H 11 4.442 4.430 0.012 1
1 37 . 10 1 1 A 11 11 LYS CB C 11 32.610 31.701 0.909 1
1 49 . 10 1 1 A 11 11 LYS C C 11 174.187 176.520 -2.333 1
1 50 . 10 1 1 A 12 12 PRO CA C 12 63.210 63.846 -0.636 1
1 51 . 10 1 1 A 12 12 PRO HA H 12 4.407 4.317 0.090 1
1 52 . 10 1 1 A 12 12 PRO CB C 12 32.232 31.218 1.014 1
1 61 . 10 1 1 A 12 12 PRO C C 12 176.447 175.699 0.748 1
1 62 . 10 1 1 A 13 13 PHE N N 13 119.708 118.496 1.212 1
1 63 . 10 1 1 A 13 13 PHE H H 13 8.425 7.593 0.832 1
1 64 . 10 1 1 A 13 13 PHE CA C 13 57.386 56.492 0.894 1
1 65 . 10 1 1 A 13 13 PHE HA H 13 4.561 5.310 -0.749 1
1 66 . 10 1 1 A 13 13 PHE CB C 13 40.677 44.254 -3.577 1
1 79 . 10 1 1 A 13 13 PHE C C 13 174.289 174.287 0.002 1
1 80 . 10 1 1 A 14 14 LYS N N 14 124.280 120.283 3.997 1
1 81 . 10 1 1 A 14 14 LYS H H 14 8.599 8.824 -0.225 1
1 82 . 10 1 1 A 14 14 LYS CA C 14 55.128 55.907 -0.779 1
1 83 . 10 1 1 A 14 14 LYS HA H 14 4.876 4.820 0.056 1
1 84 . 10 1 1 A 14 14 LYS CB C 14 35.217 36.744 -1.527 1
1 96 . 10 1 1 A 14 14 LYS C C 14 175.445 174.240 1.205 1
1 97 . 10 1 1 A 15 15 CYS N N 15 126.829 123.720 3.109 1
1 98 . 10 1 1 A 15 15 CYS H H 15 9.153 9.402 -0.249 1
1 99 . 10 1 1 A 15 15 CYS CA C 15 59.229 58.660 0.569 1
1 100 . 10 1 1 A 15 15 CYS HA H 15 4.498 4.805 -0.307 1
1 101 . 10 1 1 A 15 15 CYS CB C 15 29.719 29.571 0.148 1
1 104 . 10 1 1 A 15 15 CYS C C 15 176.812 174.446 2.366 1
1 105 . 10 1 1 A 16 16 ASP N N 16 131.329 123.161 8.168 1
1 106 . 10 1 1 A 16 16 ASP H H 16 9.242 9.021 0.221 1
1 107 . 10 1 1 A 16 16 ASP CA C 16 56.451 54.970 1.481 1
1 108 . 10 1 1 A 16 16 ASP HA H 16 4.402 4.889 -0.487 1
1 109 . 10 1 1 A 16 16 ASP CB C 16 40.727 42.480 -1.753 1
1 112 . 10 1 1 A 16 16 ASP C C 16 176.032 176.918 -0.886 1
1 113 . 10 1 1 A 17 17 ILE N N 17 121.275 118.783 2.492 1
1 114 . 10 1 1 A 17 17 ILE H H 17 8.635 7.779 0.856 1
1 115 . 10 1 1 A 17 17 ILE CA C 17 63.212 63.836 -0.624 1
1 116 . 10 1 1 A 17 17 ILE HA H 17 3.821 3.823 -0.002 1
1 117 . 10 1 1 A 17 17 ILE CB C 17 38.137 38.150 -0.013 1
1 130 . 10 1 1 A 17 17 ILE C C 17 177.086 177.681 -0.595 1
1 131 . 10 1 1 A 18 18 CYS N N 18 115.895 114.805 1.090 1
1 132 . 10 1 1 A 18 18 CYS H H 18 8.067 7.921 0.146 1
1 133 . 10 1 1 A 18 18 CYS CA C 18 58.167 58.593 -0.426 1
1 134 . 10 1 1 A 18 18 CYS HA H 18 5.107 4.684 0.423 1
1 135 . 10 1 1 A 18 18 CYS CB C 18 32.381 29.596 2.785 1
1 138 . 10 1 1 A 18 18 CYS C C 18 176.599 176.225 0.374 1
1 139 . 10 1 1 A 19 19 GLY N N 19 113.203 111.207 1.996 1
1 140 . 10 1 1 A 19 19 GLY H H 19 8.004 8.143 -0.139 1
1 141 . 10 1 1 A 19 19 GLY CA C 19 46.439 45.885 0.554 1
1 142 . 10 1 1 A 19 19 GLY HA2 H 19 3.769 3.990 -0.221 1
1 143 . 10 1 1 A 19 19 GLY HA3 H 19 4.167 4.010 0.157 1
1 144 . 10 1 1 A 19 19 GLY C C 19 173.734 174.533 -0.799 1
1 145 . 10 1 1 A 20 20 LYS N N 20 122.356 121.315 1.041 1
1 146 . 10 1 1 A 20 20 LYS H H 20 7.822 7.395 0.427 1
1 147 . 10 1 1 A 20 20 LYS CA C 20 57.737 57.004 0.733 1
1 148 . 10 1 1 A 20 20 LYS HA H 20 4.045 4.190 -0.145 1
1 149 . 10 1 1 A 20 20 LYS CB C 20 33.982 33.619 0.363 1
1 161 . 10 1 1 A 20 20 LYS C C 20 174.356 176.584 -2.228 1
1 162 . 10 1 1 A 21 21 SER N N 21 114.802 117.548 -2.746 1
1 163 . 10 1 1 A 21 21 SER H H 21 7.870 8.237 -0.367 1
1 164 . 10 1 1 A 21 21 SER CA C 21 57.281 56.450 0.831 1
1 165 . 10 1 1 A 21 21 SER HA H 21 5.187 5.405 -0.218 1
1 166 . 10 1 1 A 21 21 SER CB C 21 65.661 65.472 0.189 1
1 169 . 10 1 1 A 21 21 SER C C 21 173.041 173.858 -0.817 1
1 170 . 10 1 1 A 22 22 PHE N N 22 118.519 117.948 0.571 1
1 171 . 10 1 1 A 22 22 PHE H H 22 8.795 8.862 -0.067 1
1 172 . 10 1 1 A 22 22 PHE CA C 22 58.014 56.424 1.590 1
1 173 . 10 1 1 A 22 22 PHE HA H 22 3.364 4.967 -1.603 1
1 174 . 10 1 1 A 22 22 PHE CB C 22 44.178 41.972 2.206 1
1 187 . 10 1 1 A 22 22 PHE C C 22 175.163 175.873 -0.710 1
1 188 . 10 1 1 A 23 23 CYS CA C 23 59.537 61.721 -2.184 1
1 189 . 10 1 1 A 23 23 CYS HA H 23 4.584 4.355 0.229 1
1 190 . 10 1 1 A 23 23 CYS CB C 23 27.668 27.796 -0.128 1
1 193 . 10 1 1 A 23 23 CYS C C 23 174.498 175.164 -0.666 1
1 194 . 10 1 1 A 24 24 GLY N N 24 110.238 108.498 1.740 1
1 195 . 10 1 1 A 24 24 GLY H H 24 7.698 8.054 -0.356 1
1 196 . 10 1 1 A 24 24 GLY CA C 24 44.739 44.511 0.228 1
1 197 . 10 1 1 A 24 24 GLY HA2 H 24 4.165 4.116 0.049 1
1 198 . 10 1 1 A 24 24 GLY HA3 H 24 3.964 4.134 -0.170 1
1 199 . 10 1 1 A 24 24 GLY C C 24 172.746 174.125 -1.379 1
1 200 . 10 1 1 A 25 25 ARG N N 25 123.007 124.521 -1.514 1
1 201 . 10 1 1 A 25 25 ARG H H 25 8.249 7.608 0.641 1
1 202 . 10 1 1 A 25 25 ARG CA C 25 58.734 58.741 -0.007 1
1 203 . 10 1 1 A 25 25 ARG HA H 25 3.118 3.321 -0.203 1
1 204 . 10 1 1 A 25 25 ARG CB C 25 29.705 29.447 0.258 1
1 213 . 10 1 1 A 25 25 ARG C C 25 178.108 177.721 0.387 1
1 214 . 10 1 1 A 26 26 SER CA C 26 61.773 61.790 -0.017 1
1 215 . 10 1 1 A 26 26 SER HA H 26 3.836 4.033 -0.197 1
1 216 . 10 1 1 A 26 26 SER CB C 26 61.872 62.942 -1.070 1
1 219 . 10 1 1 A 26 26 SER C C 26 177.394 176.302 1.092 1
1 220 . 10 1 1 A 27 27 ARG N N 27 121.358 120.784 0.574 1
1 221 . 10 1 1 A 27 27 ARG H H 27 7.581 7.517 0.064 1
1 222 . 10 1 1 A 27 27 ARG CA C 27 58.837 58.186 0.651 1
1 223 . 10 1 1 A 27 27 ARG HA H 27 3.924 4.088 -0.164 1
1 224 . 10 1 1 A 27 27 ARG CB C 27 29.724 30.585 -0.861 1
1 233 . 10 1 1 A 27 27 ARG C C 27 179.126 178.250 0.876 1
1 234 . 10 1 1 A 28 28 LEU N N 28 121.828 120.425 1.403 1
1 235 . 10 1 1 A 28 28 LEU H H 28 7.259 7.492 -0.233 1
1 236 . 10 1 1 A 28 28 LEU CA C 28 57.978 57.972 0.006 1
1 237 . 10 1 1 A 28 28 LEU HA H 28 3.366 2.463 0.903 1
1 238 . 10 1 1 A 28 28 LEU CB C 28 40.695 41.264 -0.569 1
1 251 . 10 1 1 A 28 28 LEU C C 28 177.702 178.061 -0.359 1
1 252 . 10 1 1 A 29 29 ASN N N 29 118.482 115.817 2.665 1
1 253 . 10 1 1 A 29 29 ASN H H 29 8.579 8.418 0.161 1
1 254 . 10 1 1 A 29 29 ASN CA C 29 56.000 56.331 -0.331 1
1 255 . 10 1 1 A 29 29 ASN HA H 29 4.264 4.293 -0.029 1
1 256 . 10 1 1 A 29 29 ASN CB C 29 37.394 37.769 -0.375 1
1 262 . 10 1 1 A 29 29 ASN C C 29 178.386 178.298 0.088 1
1 263 . 10 1 1 A 30 30 ARG N N 30 119.681 118.770 0.911 1
1 264 . 10 1 1 A 30 30 ARG H H 30 7.752 8.144 -0.392 1
1 265 . 10 1 1 A 30 30 ARG CA C 30 58.915 59.558 -0.643 1
1 266 . 10 1 1 A 30 30 ARG HA H 30 4.000 3.962 0.038 1
1 267 . 10 1 1 A 30 30 ARG CB C 30 29.883 29.774 0.109 1
1 276 . 10 1 1 A 30 30 ARG C C 30 178.773 179.177 -0.404 1
1 277 . 10 1 1 A 31 31 HIS N N 31 119.307 120.283 -0.976 1
1 278 . 10 1 1 A 31 31 HIS H H 31 7.577 8.017 -0.440 1
1 279 . 10 1 1 A 31 31 HIS CA C 31 58.939 59.664 -0.725 1
1 280 . 10 1 1 A 31 31 HIS HA H 31 4.111 4.262 -0.151 1
1 281 . 10 1 1 A 31 31 HIS CB C 31 27.639 29.175 -1.536 1
1 288 . 10 1 1 A 31 31 HIS C C 31 176.358 177.805 -1.447 1
1 289 . 10 1 1 A 32 32 SER N N 32 113.043 113.993 -0.950 1
1 290 . 10 1 1 A 32 32 SER H H 32 8.442 8.300 0.142 1
1 291 . 10 1 1 A 32 32 SER CA C 32 62.184 60.947 1.237 1
1 292 . 10 1 1 A 32 32 SER HA H 32 3.814 4.194 -0.380 1
1 293 . 10 1 1 A 32 32 SER CB C 32 63.027 62.996 0.031 1
1 296 . 10 1 1 A 32 32 SER C C 32 175.520 175.705 -0.185 1
1 297 . 10 1 1 A 33 33 MET N N 33 118.839 118.946 -0.107 1
1 298 . 10 1 1 A 33 33 MET H H 33 7.002 7.829 -0.827 1
1 299 . 10 1 1 A 33 33 MET CA C 33 57.473 57.226 0.247 1
1 300 . 10 1 1 A 33 33 MET HA H 33 4.176 4.489 -0.313 1
1 301 . 10 1 1 A 33 33 MET CB C 33 32.277 32.348 -0.071 1
1 311 . 10 1 1 A 33 33 MET C C 33 178.211 177.906 0.305 1
1 312 . 10 1 1 A 34 34 VAL N N 34 116.464 116.071 0.393 1
1 313 . 10 1 1 A 34 34 VAL H H 34 7.961 7.883 0.078 1
1 314 . 10 1 1 A 34 34 VAL CA C 34 63.927 65.466 -1.539 1
1 315 . 10 1 1 A 34 34 VAL HA H 34 3.845 3.849 -0.004 1
1 316 . 10 1 1 A 34 34 VAL CB C 34 30.987 31.073 -0.086 1
1 326 . 10 1 1 A 34 34 VAL C C 34 177.249 177.429 -0.180 1
1 327 . 10 1 1 A 35 35 HIS N N 35 116.579 119.750 -3.171 1
1 328 . 10 1 1 A 35 35 HIS H H 35 7.050 7.926 -0.876 1
1 329 . 10 1 1 A 35 35 HIS CA C 35 55.032 58.964 -3.932 1
1 330 . 10 1 1 A 35 35 HIS HA H 35 4.866 4.412 0.454 1
1 331 . 10 1 1 A 35 35 HIS CB C 35 28.597 30.281 -1.684 1
1 338 . 10 1 1 A 35 35 HIS C C 35 175.442 175.334 0.108 1
1 339 . 10 1 1 A 36 36 THR N N 36 113.320 112.412 0.908 1
1 340 . 10 1 1 A 36 36 THR H H 36 7.617 7.500 0.117 1
1 341 . 10 1 1 A 36 36 THR CA C 36 62.572 61.098 1.474 1
1 342 . 10 1 1 A 36 36 THR HA H 36 4.228 4.460 -0.232 1
1 343 . 10 1 1 A 36 36 THR CB C 36 69.623 69.310 0.313 1
1 349 . 10 1 1 A 36 36 THR C C 36 174.335 175.269 -0.934 1
1 350 . 10 1 1 A 37 37 ALA N N 37 125.356 125.435 -0.079 1
1 351 . 10 1 1 A 37 37 ALA H H 37 8.086 8.023 0.063 1
1 352 . 10 1 1 A 37 37 ALA CA C 37 52.577 52.176 0.401 1
1 353 . 10 1 1 A 37 37 ALA HA H 37 4.279 4.490 -0.211 1
1 354 . 10 1 1 A 37 37 ALA CB C 37 19.131 18.489 0.642 1
1 358 . 10 1 1 A 37 37 ALA C C 37 177.556 177.696 -0.140 1
1 359 . 10 1 1 A 38 38 GLU N N 38 119.877 117.305 2.572 1
1 360 . 10 1 1 A 38 38 GLU H H 38 8.105 8.106 -0.001 1
1 361 . 10 1 1 A 38 38 GLU CA C 38 56.451 56.106 0.345 1
1 362 . 10 1 1 A 38 38 GLU HA H 38 4.163 4.266 -0.103 1
1 363 . 10 1 1 A 38 38 GLU CB C 38 30.357 28.943 1.414 1
1 369 . 10 1 1 A 38 38 GLU C C 38 176.160 176.694 -0.534 1
1 370 . 10 1 1 A 39 39 LYS N N 39 123.534 121.947 1.587 1
1 371 . 10 1 1 A 39 39 LYS H H 39 8.259 7.282 0.977 1
1 372 . 10 1 1 A 39 39 LYS CA C 39 54.110 55.218 -1.108 1
1 373 . 10 1 1 A 39 39 LYS HA H 39 4.547 4.328 0.219 1
1 374 . 10 1 1 A 39 39 LYS CB C 39 32.486 31.840 0.646 1
1 386 . 10 1 1 A 39 39 LYS C C 39 174.387 176.766 -2.379 1
1 387 . 10 1 1 A 40 40 PRO CA C 40 63.170 64.405 -1.235 1
1 388 . 10 1 1 A 40 40 PRO HA H 40 4.405 4.435 -0.030 1
1 389 . 10 1 1 A 40 40 PRO CB C 40 32.153 31.789 0.364 1
1 398 . 10 1 1 A 41 41 SER N N 41 116.460 113.214 3.246 1
1 399 . 10 1 1 A 41 41 SER H H 41 8.499 7.638 0.861 1
1 400 . 10 1 1 A 42 42 GLY CA C 42 44.629 45.211 -0.582 1
1 401 . 10 1 1 A 42 42 GLY HA2 H 42 4.100 4.151 -0.051 1
1 402 . 10 1 1 A 42 42 GLY HA3 H 42 4.051 4.152 -0.101 1
1 403 . 10 1 1 A 43 43 PRO CA C 43 63.255 62.477 0.778 1
1 404 . 10 1 1 A 43 43 PRO HA H 43 4.417 4.630 -0.213 1
1 405 . 10 1 1 A 43 43 PRO CB C 43 32.137 32.966 -0.829 1
1 414 . 10 1 1 A 44 44 SER N N 44 116.517 117.209 -0.692 1
1 415 . 10 1 1 A 44 44 SER H H 44 8.453 8.662 -0.209 1
1 416 . 10 1 1 A 44 44 SER CB C 44 61.760 63.615 -1.855 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.476 45.700 -0.224 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.020 4.173 -0.153 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.020 4.173 -0.153 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.552 172.446 2.106 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.807 115.025 -2.218 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.124 8.368 -0.244 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.837 62.554 -0.717 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.310 4.394 -0.084 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.739 69.125 0.614 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.300 174.450 0.850 1
1 16 . 11 1 1 A 9 9 GLY N N 9 111.107 114.287 -3.180 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.427 8.651 -0.224 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.215 45.566 -0.351 1
1 19 . 11 1 1 A 9 9 GLY HA2 H 9 3.908 4.225 -0.317 1
1 20 . 11 1 1 A 9 9 GLY HA3 H 9 3.908 4.225 -0.317 1
1 21 . 11 1 1 A 9 9 GLY C C 9 174.012 172.429 1.583 1
1 22 . 11 1 1 A 10 10 GLU N N 10 120.447 122.315 -1.868 1
1 23 . 11 1 1 A 10 10 GLU H H 10 8.157 8.665 -0.508 1
1 24 . 11 1 1 A 10 10 GLU CA C 10 56.427 54.409 2.018 1
1 25 . 11 1 1 A 10 10 GLU HA H 10 4.192 4.949 -0.757 1
1 26 . 11 1 1 A 10 10 GLU CB C 10 30.579 34.362 -3.783 1
1 32 . 11 1 1 A 10 10 GLU C C 10 176.190 175.368 0.822 1
1 33 . 11 1 1 A 11 11 LYS N N 11 123.159 121.297 1.862 1
1 34 . 11 1 1 A 11 11 LYS H H 11 8.316 8.671 -0.355 1
1 35 . 11 1 1 A 11 11 LYS CA C 11 54.101 53.955 0.146 1
1 36 . 11 1 1 A 11 11 LYS HA H 11 4.442 4.654 -0.212 1
1 37 . 11 1 1 A 11 11 LYS CB C 11 32.610 32.318 0.292 1
1 49 . 11 1 1 A 11 11 LYS C C 11 174.187 176.434 -2.247 1
1 50 . 11 1 1 A 12 12 PRO CA C 12 63.210 63.886 -0.676 1
1 51 . 11 1 1 A 12 12 PRO HA H 12 4.407 4.296 0.111 1
1 52 . 11 1 1 A 12 12 PRO CB C 12 32.232 31.216 1.016 1
1 61 . 11 1 1 A 12 12 PRO C C 12 176.447 175.677 0.770 1
1 62 . 11 1 1 A 13 13 PHE N N 13 119.708 118.474 1.234 1
1 63 . 11 1 1 A 13 13 PHE H H 13 8.425 7.642 0.783 1
1 64 . 11 1 1 A 13 13 PHE CA C 13 57.386 56.493 0.893 1
1 65 . 11 1 1 A 13 13 PHE HA H 13 4.561 5.329 -0.768 1
1 66 . 11 1 1 A 13 13 PHE CB C 13 40.677 44.262 -3.585 1
1 79 . 11 1 1 A 13 13 PHE C C 13 174.289 174.288 0.001 1
1 80 . 11 1 1 A 14 14 LYS N N 14 124.280 120.282 3.998 1
1 81 . 11 1 1 A 14 14 LYS H H 14 8.599 8.820 -0.221 1
1 82 . 11 1 1 A 14 14 LYS CA C 14 55.128 55.906 -0.778 1
1 83 . 11 1 1 A 14 14 LYS HA H 14 4.876 4.827 0.049 1
1 84 . 11 1 1 A 14 14 LYS CB C 14 35.217 36.749 -1.532 1
1 96 . 11 1 1 A 14 14 LYS C C 14 175.445 174.237 1.208 1
1 97 . 11 1 1 A 15 15 CYS N N 15 126.829 123.714 3.115 1
1 98 . 11 1 1 A 15 15 CYS H H 15 9.153 9.430 -0.277 1
1 99 . 11 1 1 A 15 15 CYS CA C 15 59.229 58.650 0.579 1
1 100 . 11 1 1 A 15 15 CYS HA H 15 4.498 4.778 -0.280 1
1 101 . 11 1 1 A 15 15 CYS CB C 15 29.719 29.401 0.318 1
1 104 . 11 1 1 A 15 15 CYS C C 15 176.812 174.458 2.354 1
1 105 . 11 1 1 A 16 16 ASP N N 16 131.329 123.235 8.094 1
1 106 . 11 1 1 A 16 16 ASP H H 16 9.242 9.026 0.216 1
1 107 . 11 1 1 A 16 16 ASP CA C 16 56.451 54.873 1.578 1
1 108 . 11 1 1 A 16 16 ASP HA H 16 4.402 4.892 -0.490 1
1 109 . 11 1 1 A 16 16 ASP CB C 16 40.727 42.381 -1.654 1
1 112 . 11 1 1 A 16 16 ASP C C 16 176.032 176.752 -0.720 1
1 113 . 11 1 1 A 17 17 ILE N N 17 121.275 117.926 3.349 1
1 114 . 11 1 1 A 17 17 ILE H H 17 8.635 7.697 0.938 1
1 115 . 11 1 1 A 17 17 ILE CA C 17 63.212 63.687 -0.475 1
1 116 . 11 1 1 A 17 17 ILE HA H 17 3.821 3.820 0.001 1
1 117 . 11 1 1 A 17 17 ILE CB C 17 38.137 38.193 -0.056 1
1 130 . 11 1 1 A 17 17 ILE C C 17 177.086 177.677 -0.591 1
1 131 . 11 1 1 A 18 18 CYS N N 18 115.895 115.114 0.781 1
1 132 . 11 1 1 A 18 18 CYS H H 18 8.067 7.934 0.133 1
1 133 . 11 1 1 A 18 18 CYS CA C 18 58.167 58.591 -0.424 1
1 134 . 11 1 1 A 18 18 CYS HA H 18 5.107 4.691 0.416 1
1 135 . 11 1 1 A 18 18 CYS CB C 18 32.381 29.711 2.670 1
1 138 . 11 1 1 A 18 18 CYS C C 18 176.599 176.263 0.336 1
1 139 . 11 1 1 A 19 19 GLY N N 19 113.203 111.122 2.081 1
1 140 . 11 1 1 A 19 19 GLY H H 19 8.004 8.136 -0.132 1
1 141 . 11 1 1 A 19 19 GLY CA C 19 46.439 45.884 0.555 1
1 142 . 11 1 1 A 19 19 GLY HA2 H 19 3.769 3.992 -0.223 1
1 143 . 11 1 1 A 19 19 GLY HA3 H 19 4.167 4.010 0.157 1
1 144 . 11 1 1 A 19 19 GLY C C 19 173.734 174.550 -0.816 1
1 145 . 11 1 1 A 20 20 LYS N N 20 122.356 121.259 1.097 1
1 146 . 11 1 1 A 20 20 LYS H H 20 7.822 7.412 0.410 1
1 147 . 11 1 1 A 20 20 LYS CA C 20 57.737 57.023 0.714 1
1 148 . 11 1 1 A 20 20 LYS HA H 20 4.045 4.212 -0.167 1
1 149 . 11 1 1 A 20 20 LYS CB C 20 33.982 33.539 0.443 1
1 161 . 11 1 1 A 20 20 LYS C C 20 174.356 176.609 -2.253 1
1 162 . 11 1 1 A 21 21 SER N N 21 114.802 117.510 -2.708 1
1 163 . 11 1 1 A 21 21 SER H H 21 7.870 8.247 -0.377 1
1 164 . 11 1 1 A 21 21 SER CA C 21 57.281 56.592 0.689 1
1 165 . 11 1 1 A 21 21 SER HA H 21 5.187 5.409 -0.222 1
1 166 . 11 1 1 A 21 21 SER CB C 21 65.661 65.513 0.148 1
1 169 . 11 1 1 A 21 21 SER C C 21 173.041 173.971 -0.930 1
1 170 . 11 1 1 A 22 22 PHE N N 22 118.519 118.079 0.440 1
1 171 . 11 1 1 A 22 22 PHE H H 22 8.795 8.878 -0.083 1
1 172 . 11 1 1 A 22 22 PHE CA C 22 58.014 56.456 1.558 1
1 173 . 11 1 1 A 22 22 PHE HA H 22 3.364 4.967 -1.603 1
1 174 . 11 1 1 A 22 22 PHE CB C 22 44.178 41.899 2.279 1
1 187 . 11 1 1 A 22 22 PHE C C 22 175.163 175.883 -0.720 1
1 188 . 11 1 1 A 23 23 CYS CA C 23 59.537 61.724 -2.187 1
1 189 . 11 1 1 A 23 23 CYS HA H 23 4.584 4.359 0.225 1
1 190 . 11 1 1 A 23 23 CYS CB C 23 27.668 27.580 0.088 1
1 193 . 11 1 1 A 23 23 CYS C C 23 174.498 175.126 -0.628 1
1 194 . 11 1 1 A 24 24 GLY N N 24 110.238 108.466 1.772 1
1 195 . 11 1 1 A 24 24 GLY H H 24 7.698 8.029 -0.331 1
1 196 . 11 1 1 A 24 24 GLY CA C 24 44.739 44.756 -0.017 1
1 197 . 11 1 1 A 24 24 GLY HA2 H 24 4.165 4.192 -0.027 1
1 198 . 11 1 1 A 24 24 GLY HA3 H 24 3.964 4.207 -0.243 1
1 199 . 11 1 1 A 24 24 GLY C C 24 172.746 174.275 -1.529 1
1 200 . 11 1 1 A 25 25 ARG N N 25 123.007 125.135 -2.128 1
1 201 . 11 1 1 A 25 25 ARG H H 25 8.249 7.665 0.584 1
1 202 . 11 1 1 A 25 25 ARG CA C 25 58.734 58.880 -0.146 1
1 203 . 11 1 1 A 25 25 ARG HA H 25 3.118 3.256 -0.138 1
1 204 . 11 1 1 A 25 25 ARG CB C 25 29.705 29.366 0.339 1
1 213 . 11 1 1 A 25 25 ARG C C 25 178.108 177.590 0.518 1
1 214 . 11 1 1 A 26 26 SER CA C 26 61.773 61.732 0.041 1
1 215 . 11 1 1 A 26 26 SER HA H 26 3.836 4.165 -0.329 1
1 216 . 11 1 1 A 26 26 SER CB C 26 61.872 62.816 -0.944 1
1 219 . 11 1 1 A 26 26 SER C C 26 177.394 176.501 0.893 1
1 220 . 11 1 1 A 27 27 ARG N N 27 121.358 121.458 -0.100 1
1 221 . 11 1 1 A 27 27 ARG H H 27 7.581 7.574 0.007 1
1 222 . 11 1 1 A 27 27 ARG CA C 27 58.837 58.279 0.558 1
1 223 . 11 1 1 A 27 27 ARG HA H 27 3.924 4.128 -0.204 1
1 224 . 11 1 1 A 27 27 ARG CB C 27 29.724 30.528 -0.804 1
1 233 . 11 1 1 A 27 27 ARG C C 27 179.126 178.090 1.036 1
1 234 . 11 1 1 A 28 28 LEU N N 28 121.828 120.299 1.529 1
1 235 . 11 1 1 A 28 28 LEU H H 28 7.259 7.472 -0.213 1
1 236 . 11 1 1 A 28 28 LEU CA C 28 57.978 57.976 0.002 1
1 237 . 11 1 1 A 28 28 LEU HA H 28 3.366 2.439 0.927 1
1 238 . 11 1 1 A 28 28 LEU CB C 28 40.695 41.216 -0.521 1
1 251 . 11 1 1 A 28 28 LEU C C 28 177.702 178.090 -0.388 1
1 252 . 11 1 1 A 29 29 ASN N N 29 118.482 115.820 2.662 1
1 253 . 11 1 1 A 29 29 ASN H H 29 8.579 8.424 0.155 1
1 254 . 11 1 1 A 29 29 ASN CA C 29 56.000 56.294 -0.294 1
1 255 . 11 1 1 A 29 29 ASN HA H 29 4.264 4.287 -0.023 1
1 256 . 11 1 1 A 29 29 ASN CB C 29 37.394 37.755 -0.361 1
1 262 . 11 1 1 A 29 29 ASN C C 29 178.386 178.325 0.061 1
1 263 . 11 1 1 A 30 30 ARG N N 30 119.681 118.616 1.065 1
1 264 . 11 1 1 A 30 30 ARG H H 30 7.752 7.803 -0.051 1
1 265 . 11 1 1 A 30 30 ARG CA C 30 58.915 59.600 -0.685 1
1 266 . 11 1 1 A 30 30 ARG HA H 30 4.000 3.971 0.029 1
1 267 . 11 1 1 A 30 30 ARG CB C 30 29.883 29.673 0.210 1
1 276 . 11 1 1 A 30 30 ARG C C 30 178.773 179.212 -0.439 1
1 277 . 11 1 1 A 31 31 HIS N N 31 119.307 120.286 -0.979 1
1 278 . 11 1 1 A 31 31 HIS H H 31 7.577 7.976 -0.399 1
1 279 . 11 1 1 A 31 31 HIS CA C 31 58.939 59.674 -0.735 1
1 280 . 11 1 1 A 31 31 HIS HA H 31 4.111 4.248 -0.137 1
1 281 . 11 1 1 A 31 31 HIS CB C 31 27.639 29.168 -1.529 1
1 288 . 11 1 1 A 31 31 HIS C C 31 176.358 177.797 -1.439 1
1 289 . 11 1 1 A 32 32 SER N N 32 113.043 113.835 -0.792 1
1 290 . 11 1 1 A 32 32 SER H H 32 8.442 8.308 0.134 1
1 291 . 11 1 1 A 32 32 SER CA C 32 62.184 60.955 1.229 1
1 292 . 11 1 1 A 32 32 SER HA H 32 3.814 4.212 -0.398 1
1 293 . 11 1 1 A 32 32 SER CB C 32 63.027 63.008 0.019 1
1 296 . 11 1 1 A 32 32 SER C C 32 175.520 175.664 -0.144 1
1 297 . 11 1 1 A 33 33 MET N N 33 118.839 118.942 -0.103 1
1 298 . 11 1 1 A 33 33 MET H H 33 7.002 7.806 -0.804 1
1 299 . 11 1 1 A 33 33 MET CA C 33 57.473 57.422 0.051 1
1 300 . 11 1 1 A 33 33 MET HA H 33 4.176 4.475 -0.299 1
1 301 . 11 1 1 A 33 33 MET CB C 33 32.277 32.559 -0.282 1
1 311 . 11 1 1 A 33 33 MET C C 33 178.211 177.877 0.334 1
1 312 . 11 1 1 A 34 34 VAL N N 34 116.464 116.103 0.361 1
1 313 . 11 1 1 A 34 34 VAL H H 34 7.961 7.776 0.185 1
1 314 . 11 1 1 A 34 34 VAL CA C 34 63.927 65.558 -1.631 1
1 315 . 11 1 1 A 34 34 VAL HA H 34 3.845 3.853 -0.008 1
1 316 . 11 1 1 A 34 34 VAL CB C 34 30.987 31.067 -0.080 1
1 326 . 11 1 1 A 34 34 VAL C C 34 177.249 177.591 -0.342 1
1 327 . 11 1 1 A 35 35 HIS N N 35 116.579 119.879 -3.300 1
1 328 . 11 1 1 A 35 35 HIS H H 35 7.050 7.957 -0.907 1
1 329 . 11 1 1 A 35 35 HIS CA C 35 55.032 59.431 -4.399 1
1 330 . 11 1 1 A 35 35 HIS HA H 35 4.866 4.252 0.614 1
1 331 . 11 1 1 A 35 35 HIS CB C 35 28.597 30.385 -1.788 1
1 338 . 11 1 1 A 35 35 HIS C C 35 175.442 176.011 -0.569 1
1 339 . 11 1 1 A 36 36 THR N N 36 113.320 113.472 -0.152 1
1 340 . 11 1 1 A 36 36 THR H H 36 7.617 7.708 -0.091 1
1 341 . 11 1 1 A 36 36 THR CA C 36 62.572 63.672 -1.100 1
1 342 . 11 1 1 A 36 36 THR HA H 36 4.228 4.354 -0.126 1
1 343 . 11 1 1 A 36 36 THR CB C 36 69.623 70.091 -0.468 1
1 349 . 11 1 1 A 36 36 THR C C 36 174.335 175.551 -1.216 1
1 350 . 11 1 1 A 37 37 ALA N N 37 125.356 121.993 3.363 1
1 351 . 11 1 1 A 37 37 ALA H H 37 8.086 7.406 0.680 1
1 352 . 11 1 1 A 37 37 ALA CA C 37 52.577 52.328 0.249 1
1 353 . 11 1 1 A 37 37 ALA HA H 37 4.279 4.370 -0.091 1
1 354 . 11 1 1 A 37 37 ALA CB C 37 19.131 18.648 0.483 1
1 358 . 11 1 1 A 37 37 ALA C C 37 177.556 176.552 1.004 1
1 359 . 11 1 1 A 38 38 GLU N N 38 119.877 118.174 1.703 1
1 360 . 11 1 1 A 38 38 GLU H H 38 8.105 7.658 0.447 1
1 361 . 11 1 1 A 38 38 GLU CA C 38 56.451 55.813 0.638 1
1 362 . 11 1 1 A 38 38 GLU HA H 38 4.163 4.511 -0.348 1
1 363 . 11 1 1 A 38 38 GLU CB C 38 30.357 30.266 0.091 1
1 369 . 11 1 1 A 38 38 GLU C C 38 176.160 176.120 0.040 1
1 370 . 11 1 1 A 39 39 LYS N N 39 123.534 124.751 -1.217 1
1 371 . 11 1 1 A 39 39 LYS H H 39 8.259 8.506 -0.247 1
1 372 . 11 1 1 A 39 39 LYS CA C 39 54.110 55.194 -1.084 1
1 373 . 11 1 1 A 39 39 LYS HA H 39 4.547 4.288 0.259 1
1 374 . 11 1 1 A 39 39 LYS CB C 39 32.486 32.020 0.466 1
1 386 . 11 1 1 A 39 39 LYS C C 39 174.387 176.512 -2.125 1
1 387 . 11 1 1 A 40 40 PRO CA C 40 63.170 63.742 -0.572 1
1 388 . 11 1 1 A 40 40 PRO HA H 40 4.405 4.554 -0.149 1
1 389 . 11 1 1 A 40 40 PRO CB C 40 32.153 32.364 -0.211 1
1 398 . 11 1 1 A 41 41 SER N N 41 116.460 113.743 2.717 1
1 399 . 11 1 1 A 41 41 SER H H 41 8.499 7.692 0.807 1
1 400 . 11 1 1 A 42 42 GLY CA C 42 44.629 43.738 0.891 1
1 401 . 11 1 1 A 42 42 GLY HA2 H 42 4.100 4.221 -0.121 1
1 402 . 11 1 1 A 42 42 GLY HA3 H 42 4.051 4.221 -0.170 1
1 403 . 11 1 1 A 43 43 PRO CA C 43 63.255 63.899 -0.644 1
1 404 . 11 1 1 A 43 43 PRO HA H 43 4.417 4.456 -0.039 1
1 405 . 11 1 1 A 43 43 PRO CB C 43 32.137 32.097 0.040 1
1 414 . 11 1 1 A 44 44 SER N N 44 116.517 115.254 1.263 1
1 415 . 11 1 1 A 44 44 SER H H 44 8.453 8.564 -0.111 1
1 416 . 11 1 1 A 44 44 SER CB C 44 61.760 63.048 -1.288 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.476 45.075 0.401 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.020 4.192 -0.172 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.020 4.192 -0.172 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.552 172.102 2.450 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.807 118.785 -5.978 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.124 8.725 -0.601 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.837 59.352 2.485 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.310 5.055 -0.745 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.739 71.767 -2.028 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.300 173.531 1.769 1
1 16 . 12 1 1 A 9 9 GLY N N 9 111.107 113.371 -2.264 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.427 8.510 -0.083 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.215 44.723 0.492 1
1 19 . 12 1 1 A 9 9 GLY HA2 H 9 3.908 4.164 -0.256 1
1 20 . 12 1 1 A 9 9 GLY HA3 H 9 3.908 4.164 -0.256 1
1 21 . 12 1 1 A 9 9 GLY C C 9 174.012 173.410 0.602 1
1 22 . 12 1 1 A 10 10 GLU N N 10 120.447 122.470 -2.023 1
1 23 . 12 1 1 A 10 10 GLU H H 10 8.157 8.516 -0.359 1
1 24 . 12 1 1 A 10 10 GLU CA C 10 56.427 54.626 1.801 1
1 25 . 12 1 1 A 10 10 GLU HA H 10 4.192 4.792 -0.600 1
1 26 . 12 1 1 A 10 10 GLU CB C 10 30.579 31.469 -0.890 1
1 32 . 12 1 1 A 10 10 GLU C C 10 176.190 175.819 0.371 1
1 33 . 12 1 1 A 11 11 LYS N N 11 123.159 120.926 2.233 1
1 34 . 12 1 1 A 11 11 LYS H H 11 8.316 8.655 -0.339 1
1 35 . 12 1 1 A 11 11 LYS CA C 11 54.101 53.875 0.226 1
1 36 . 12 1 1 A 11 11 LYS HA H 11 4.442 4.679 -0.237 1
1 37 . 12 1 1 A 11 11 LYS CB C 11 32.610 32.373 0.237 1
1 49 . 12 1 1 A 11 11 LYS C C 11 174.187 176.336 -2.149 1
1 50 . 12 1 1 A 12 12 PRO CA C 12 63.210 63.786 -0.576 1
1 51 . 12 1 1 A 12 12 PRO HA H 12 4.407 4.326 0.081 1
1 52 . 12 1 1 A 12 12 PRO CB C 12 32.232 31.178 1.054 1
1 61 . 12 1 1 A 12 12 PRO C C 12 176.447 175.713 0.734 1
1 62 . 12 1 1 A 13 13 PHE N N 13 119.708 118.554 1.154 1
1 63 . 12 1 1 A 13 13 PHE H H 13 8.425 7.598 0.827 1
1 64 . 12 1 1 A 13 13 PHE CA C 13 57.386 56.486 0.900 1
1 65 . 12 1 1 A 13 13 PHE HA H 13 4.561 5.299 -0.738 1
1 66 . 12 1 1 A 13 13 PHE CB C 13 40.677 44.076 -3.399 1
1 79 . 12 1 1 A 13 13 PHE C C 13 174.289 174.289 0.000 1
1 80 . 12 1 1 A 14 14 LYS N N 14 124.280 120.427 3.853 1
1 81 . 12 1 1 A 14 14 LYS H H 14 8.599 8.819 -0.220 1
1 82 . 12 1 1 A 14 14 LYS CA C 14 55.128 55.906 -0.778 1
1 83 . 12 1 1 A 14 14 LYS HA H 14 4.876 4.823 0.053 1
1 84 . 12 1 1 A 14 14 LYS CB C 14 35.217 36.747 -1.530 1
1 96 . 12 1 1 A 14 14 LYS C C 14 175.445 174.243 1.202 1
1 97 . 12 1 1 A 15 15 CYS N N 15 126.829 123.721 3.108 1
1 98 . 12 1 1 A 15 15 CYS H H 15 9.153 9.380 -0.227 1
1 99 . 12 1 1 A 15 15 CYS CA C 15 59.229 58.655 0.574 1
1 100 . 12 1 1 A 15 15 CYS HA H 15 4.498 4.802 -0.304 1
1 101 . 12 1 1 A 15 15 CYS CB C 15 29.719 29.571 0.148 1
1 104 . 12 1 1 A 15 15 CYS C C 15 176.812 174.451 2.361 1
1 105 . 12 1 1 A 16 16 ASP N N 16 131.329 123.338 7.991 1
1 106 . 12 1 1 A 16 16 ASP H H 16 9.242 9.022 0.220 1
1 107 . 12 1 1 A 16 16 ASP CA C 16 56.451 54.965 1.486 1
1 108 . 12 1 1 A 16 16 ASP HA H 16 4.402 4.889 -0.487 1
1 109 . 12 1 1 A 16 16 ASP CB C 16 40.727 42.359 -1.632 1
1 112 . 12 1 1 A 16 16 ASP C C 16 176.032 176.950 -0.918 1
1 113 . 12 1 1 A 17 17 ILE N N 17 121.275 118.176 3.099 1
1 114 . 12 1 1 A 17 17 ILE H H 17 8.635 7.806 0.829 1
1 115 . 12 1 1 A 17 17 ILE CA C 17 63.212 63.711 -0.499 1
1 116 . 12 1 1 A 17 17 ILE HA H 17 3.821 3.796 0.025 1
1 117 . 12 1 1 A 17 17 ILE CB C 17 38.137 38.152 -0.015 1
1 130 . 12 1 1 A 17 17 ILE C C 17 177.086 177.679 -0.593 1
1 131 . 12 1 1 A 18 18 CYS N N 18 115.895 115.109 0.786 1
1 132 . 12 1 1 A 18 18 CYS H H 18 8.067 7.923 0.144 1
1 133 . 12 1 1 A 18 18 CYS CA C 18 58.167 58.592 -0.425 1
1 134 . 12 1 1 A 18 18 CYS HA H 18 5.107 4.684 0.423 1
1 135 . 12 1 1 A 18 18 CYS CB C 18 32.381 29.704 2.677 1
1 138 . 12 1 1 A 18 18 CYS C C 18 176.599 176.243 0.356 1
1 139 . 12 1 1 A 19 19 GLY N N 19 113.203 111.201 2.002 1
1 140 . 12 1 1 A 19 19 GLY H H 19 8.004 8.146 -0.142 1
1 141 . 12 1 1 A 19 19 GLY CA C 19 46.439 45.883 0.556 1
1 142 . 12 1 1 A 19 19 GLY HA2 H 19 3.769 3.983 -0.214 1
1 143 . 12 1 1 A 19 19 GLY HA3 H 19 4.167 4.002 0.165 1
1 144 . 12 1 1 A 19 19 GLY C C 19 173.734 174.466 -0.732 1
1 145 . 12 1 1 A 20 20 LYS N N 20 122.356 121.479 0.877 1
1 146 . 12 1 1 A 20 20 LYS H H 20 7.822 7.413 0.409 1
1 147 . 12 1 1 A 20 20 LYS CA C 20 57.737 57.013 0.724 1
1 148 . 12 1 1 A 20 20 LYS HA H 20 4.045 4.187 -0.142 1
1 149 . 12 1 1 A 20 20 LYS CB C 20 33.982 33.634 0.348 1
1 161 . 12 1 1 A 20 20 LYS C C 20 174.356 176.507 -2.151 1
1 162 . 12 1 1 A 21 21 SER N N 21 114.802 117.365 -2.563 1
1 163 . 12 1 1 A 21 21 SER H H 21 7.870 8.224 -0.354 1
1 164 . 12 1 1 A 21 21 SER CA C 21 57.281 56.430 0.851 1
1 165 . 12 1 1 A 21 21 SER HA H 21 5.187 5.484 -0.297 1
1 166 . 12 1 1 A 21 21 SER CB C 21 65.661 65.573 0.088 1
1 169 . 12 1 1 A 21 21 SER C C 21 173.041 173.771 -0.730 1
1 170 . 12 1 1 A 22 22 PHE N N 22 118.519 117.866 0.653 1
1 171 . 12 1 1 A 22 22 PHE H H 22 8.795 8.888 -0.093 1
1 172 . 12 1 1 A 22 22 PHE CA C 22 58.014 56.425 1.589 1
1 173 . 12 1 1 A 22 22 PHE HA H 22 3.364 4.933 -1.569 1
1 174 . 12 1 1 A 22 22 PHE CB C 22 44.178 42.058 2.120 1
1 187 . 12 1 1 A 22 22 PHE C C 22 175.163 175.858 -0.695 1
1 188 . 12 1 1 A 23 23 CYS CA C 23 59.537 61.728 -2.191 1
1 189 . 12 1 1 A 23 23 CYS HA H 23 4.584 4.359 0.225 1
1 190 . 12 1 1 A 23 23 CYS CB C 23 27.668 27.568 0.100 1
1 193 . 12 1 1 A 23 23 CYS C C 23 174.498 175.228 -0.730 1
1 194 . 12 1 1 A 24 24 GLY N N 24 110.238 108.318 1.920 1
1 195 . 12 1 1 A 24 24 GLY H H 24 7.698 8.038 -0.340 1
1 196 . 12 1 1 A 24 24 GLY CA C 24 44.739 44.465 0.274 1
1 197 . 12 1 1 A 24 24 GLY HA2 H 24 4.165 4.122 0.043 1
1 198 . 12 1 1 A 24 24 GLY HA3 H 24 3.964 4.145 -0.181 1
1 199 . 12 1 1 A 24 24 GLY C C 24 172.746 174.074 -1.328 1
1 200 . 12 1 1 A 25 25 ARG N N 25 123.007 124.719 -1.712 1
1 201 . 12 1 1 A 25 25 ARG H H 25 8.249 7.701 0.548 1
1 202 . 12 1 1 A 25 25 ARG CA C 25 58.734 58.795 -0.061 1
1 203 . 12 1 1 A 25 25 ARG HA H 25 3.118 3.295 -0.177 1
1 204 . 12 1 1 A 25 25 ARG CB C 25 29.705 29.405 0.300 1
1 213 . 12 1 1 A 25 25 ARG C C 25 178.108 177.488 0.620 1
1 214 . 12 1 1 A 26 26 SER CA C 26 61.773 61.117 0.656 1
1 215 . 12 1 1 A 26 26 SER HA H 26 3.836 3.999 -0.163 1
1 216 . 12 1 1 A 26 26 SER CB C 26 61.872 62.766 -0.894 1
1 219 . 12 1 1 A 26 26 SER C C 26 177.394 176.455 0.939 1
1 220 . 12 1 1 A 27 27 ARG N N 27 121.358 120.465 0.893 1
1 221 . 12 1 1 A 27 27 ARG H H 27 7.581 7.467 0.114 1
1 222 . 12 1 1 A 27 27 ARG CA C 27 58.837 58.236 0.601 1
1 223 . 12 1 1 A 27 27 ARG HA H 27 3.924 4.078 -0.154 1
1 224 . 12 1 1 A 27 27 ARG CB C 27 29.724 30.559 -0.835 1
1 233 . 12 1 1 A 27 27 ARG C C 27 179.126 178.286 0.840 1
1 234 . 12 1 1 A 28 28 LEU N N 28 121.828 120.425 1.403 1
1 235 . 12 1 1 A 28 28 LEU H H 28 7.259 7.572 -0.313 1
1 236 . 12 1 1 A 28 28 LEU CA C 28 57.978 57.858 0.120 1
1 237 . 12 1 1 A 28 28 LEU HA H 28 3.366 2.445 0.921 1
1 238 . 12 1 1 A 28 28 LEU CB C 28 40.695 41.244 -0.549 1
1 251 . 12 1 1 A 28 28 LEU C C 28 177.702 178.031 -0.329 1
1 252 . 12 1 1 A 29 29 ASN N N 29 118.482 115.737 2.745 1
1 253 . 12 1 1 A 29 29 ASN H H 29 8.579 8.374 0.205 1
1 254 . 12 1 1 A 29 29 ASN CA C 29 56.000 56.284 -0.284 1
1 255 . 12 1 1 A 29 29 ASN HA H 29 4.264 4.282 -0.018 1
1 256 . 12 1 1 A 29 29 ASN CB C 29 37.394 37.751 -0.357 1
1 262 . 12 1 1 A 29 29 ASN C C 29 178.386 178.309 0.077 1
1 263 . 12 1 1 A 30 30 ARG N N 30 119.681 118.596 1.085 1
1 264 . 12 1 1 A 30 30 ARG H H 30 7.752 8.102 -0.350 1
1 265 . 12 1 1 A 30 30 ARG CA C 30 58.915 59.750 -0.835 1
1 266 . 12 1 1 A 30 30 ARG HA H 30 4.000 3.981 0.019 1
1 267 . 12 1 1 A 30 30 ARG CB C 30 29.883 29.494 0.389 1
1 276 . 12 1 1 A 30 30 ARG C C 30 178.773 179.174 -0.401 1
1 277 . 12 1 1 A 31 31 HIS N N 31 119.307 120.381 -1.074 1
1 278 . 12 1 1 A 31 31 HIS H H 31 7.577 7.974 -0.397 1
1 279 . 12 1 1 A 31 31 HIS CA C 31 58.939 59.853 -0.914 1
1 280 . 12 1 1 A 31 31 HIS HA H 31 4.111 4.247 -0.136 1
1 281 . 12 1 1 A 31 31 HIS CB C 31 27.639 29.184 -1.545 1
1 288 . 12 1 1 A 31 31 HIS C C 31 176.358 177.850 -1.492 1
1 289 . 12 1 1 A 32 32 SER N N 32 113.043 113.837 -0.794 1
1 290 . 12 1 1 A 32 32 SER H H 32 8.442 8.289 0.153 1
1 291 . 12 1 1 A 32 32 SER CA C 32 62.184 60.894 1.290 1
1 292 . 12 1 1 A 32 32 SER HA H 32 3.814 4.216 -0.402 1
1 293 . 12 1 1 A 32 32 SER CB C 32 63.027 63.006 0.021 1
1 296 . 12 1 1 A 32 32 SER C C 32 175.520 175.668 -0.148 1
1 297 . 12 1 1 A 33 33 MET N N 33 118.839 119.074 -0.235 1
1 298 . 12 1 1 A 33 33 MET H H 33 7.002 7.816 -0.814 1
1 299 . 12 1 1 A 33 33 MET CA C 33 57.473 57.575 -0.102 1
1 300 . 12 1 1 A 33 33 MET HA H 33 4.176 4.488 -0.312 1
1 301 . 12 1 1 A 33 33 MET CB C 33 32.277 32.550 -0.273 1
1 311 . 12 1 1 A 33 33 MET C C 33 178.211 177.920 0.291 1
1 312 . 12 1 1 A 34 34 VAL N N 34 116.464 116.167 0.297 1
1 313 . 12 1 1 A 34 34 VAL H H 34 7.961 7.823 0.138 1
1 314 . 12 1 1 A 34 34 VAL CA C 34 63.927 65.526 -1.599 1
1 315 . 12 1 1 A 34 34 VAL HA H 34 3.845 3.831 0.014 1
1 316 . 12 1 1 A 34 34 VAL CB C 34 30.987 31.047 -0.060 1
1 326 . 12 1 1 A 34 34 VAL C C 34 177.249 177.613 -0.364 1
1 327 . 12 1 1 A 35 35 HIS N N 35 116.579 119.896 -3.317 1
1 328 . 12 1 1 A 35 35 HIS H H 35 7.050 7.955 -0.905 1
1 329 . 12 1 1 A 35 35 HIS CA C 35 55.032 59.322 -4.290 1
1 330 . 12 1 1 A 35 35 HIS HA H 35 4.866 4.315 0.551 1
1 331 . 12 1 1 A 35 35 HIS CB C 35 28.597 30.659 -2.062 1
1 338 . 12 1 1 A 35 35 HIS C C 35 175.442 175.691 -0.249 1
1 339 . 12 1 1 A 36 36 THR N N 36 113.320 112.953 0.367 1
1 340 . 12 1 1 A 36 36 THR H H 36 7.617 7.451 0.166 1
1 341 . 12 1 1 A 36 36 THR CA C 36 62.572 61.102 1.470 1
1 342 . 12 1 1 A 36 36 THR HA H 36 4.228 4.439 -0.211 1
1 343 . 12 1 1 A 36 36 THR CB C 36 69.623 69.254 0.369 1
1 349 . 12 1 1 A 36 36 THR C C 36 174.335 175.300 -0.965 1
1 350 . 12 1 1 A 37 37 ALA N N 37 125.356 124.941 0.415 1
1 351 . 12 1 1 A 37 37 ALA H H 37 8.086 7.554 0.532 1
1 352 . 12 1 1 A 37 37 ALA CA C 37 52.577 51.806 0.771 1
1 353 . 12 1 1 A 37 37 ALA HA H 37 4.279 4.452 -0.173 1
1 354 . 12 1 1 A 37 37 ALA CB C 37 19.131 19.116 0.015 1
1 358 . 12 1 1 A 37 37 ALA C C 37 177.556 176.559 0.997 1
1 359 . 12 1 1 A 38 38 GLU N N 38 119.877 118.346 1.531 1
1 360 . 12 1 1 A 38 38 GLU H H 38 8.105 7.802 0.303 1
1 361 . 12 1 1 A 38 38 GLU CA C 38 56.451 55.001 1.450 1
1 362 . 12 1 1 A 38 38 GLU HA H 38 4.163 4.630 -0.467 1
1 363 . 12 1 1 A 38 38 GLU CB C 38 30.357 30.524 -0.167 1
1 369 . 12 1 1 A 38 38 GLU C C 38 176.160 175.352 0.808 1
1 370 . 12 1 1 A 39 39 LYS N N 39 123.534 123.984 -0.450 1
1 371 . 12 1 1 A 39 39 LYS H H 39 8.259 8.222 0.037 1
1 372 . 12 1 1 A 39 39 LYS CA C 39 54.110 55.171 -1.061 1
1 373 . 12 1 1 A 39 39 LYS HA H 39 4.547 4.297 0.250 1
1 374 . 12 1 1 A 39 39 LYS CB C 39 32.486 31.735 0.751 1
1 386 . 12 1 1 A 39 39 LYS C C 39 174.387 176.520 -2.133 1
1 387 . 12 1 1 A 40 40 PRO CA C 40 63.170 64.039 -0.869 1
1 388 . 12 1 1 A 40 40 PRO HA H 40 4.405 4.474 -0.069 1
1 389 . 12 1 1 A 40 40 PRO CB C 40 32.153 32.113 0.040 1
1 398 . 12 1 1 A 41 41 SER N N 41 116.460 114.156 2.304 1
1 399 . 12 1 1 A 41 41 SER H H 41 8.499 8.593 -0.094 1
1 400 . 12 1 1 A 42 42 GLY CA C 42 44.629 44.904 -0.275 1
1 401 . 12 1 1 A 42 42 GLY HA2 H 42 4.100 4.027 0.073 1
1 402 . 12 1 1 A 42 42 GLY HA3 H 42 4.051 4.027 0.024 1
1 403 . 12 1 1 A 43 43 PRO CA C 43 63.255 62.678 0.577 1
1 404 . 12 1 1 A 43 43 PRO HA H 43 4.417 4.683 -0.266 1
1 405 . 12 1 1 A 43 43 PRO CB C 43 32.137 31.689 0.448 1
1 414 . 12 1 1 A 44 44 SER N N 44 116.517 118.747 -2.230 1
1 415 . 12 1 1 A 44 44 SER H H 44 8.453 8.665 -0.212 1
1 416 . 12 1 1 A 44 44 SER CB C 44 61.760 62.670 -0.910 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.476 45.115 0.361 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.020 4.162 -0.142 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.020 4.164 -0.144 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.552 172.073 2.479 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.807 119.434 -6.627 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.124 8.904 -0.780 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.837 59.664 2.173 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.310 5.042 -0.732 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.739 70.977 -1.238 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.300 173.292 2.008 1
1 16 . 13 1 1 A 9 9 GLY N N 9 111.107 113.097 -1.990 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.427 8.557 -0.130 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.215 45.181 0.034 1
1 19 . 13 1 1 A 9 9 GLY HA2 H 9 3.908 4.192 -0.284 1
1 20 . 13 1 1 A 9 9 GLY HA3 H 9 3.908 4.193 -0.285 1
1 21 . 13 1 1 A 9 9 GLY C C 9 174.012 173.006 1.006 1
1 22 . 13 1 1 A 10 10 GLU N N 10 120.447 125.266 -4.819 1
1 23 . 13 1 1 A 10 10 GLU H H 10 8.157 8.676 -0.519 1
1 24 . 13 1 1 A 10 10 GLU CA C 10 56.427 55.781 0.646 1
1 25 . 13 1 1 A 10 10 GLU HA H 10 4.192 4.321 -0.129 1
1 26 . 13 1 1 A 10 10 GLU CB C 10 30.579 30.699 -0.120 1
1 32 . 13 1 1 A 10 10 GLU C C 10 176.190 176.904 -0.714 1
1 33 . 13 1 1 A 11 11 LYS N N 11 123.159 122.311 0.848 1
1 34 . 13 1 1 A 11 11 LYS H H 11 8.316 8.539 -0.223 1
1 35 . 13 1 1 A 11 11 LYS CA C 11 54.101 55.114 -1.013 1
1 36 . 13 1 1 A 11 11 LYS HA H 11 4.442 4.333 0.109 1
1 37 . 13 1 1 A 11 11 LYS CB C 11 32.610 31.793 0.817 1
1 49 . 13 1 1 A 11 11 LYS C C 11 174.187 176.500 -2.313 1
1 50 . 13 1 1 A 12 12 PRO CA C 12 63.210 63.835 -0.625 1
1 51 . 13 1 1 A 12 12 PRO HA H 12 4.407 4.321 0.086 1
1 52 . 13 1 1 A 12 12 PRO CB C 12 32.232 31.269 0.963 1
1 61 . 13 1 1 A 12 12 PRO C C 12 176.447 175.720 0.727 1
1 62 . 13 1 1 A 13 13 PHE N N 13 119.708 118.545 1.163 1
1 63 . 13 1 1 A 13 13 PHE H H 13 8.425 7.604 0.821 1
1 64 . 13 1 1 A 13 13 PHE CA C 13 57.386 56.482 0.904 1
1 65 . 13 1 1 A 13 13 PHE HA H 13 4.561 5.327 -0.766 1
1 66 . 13 1 1 A 13 13 PHE CB C 13 40.677 44.262 -3.585 1
1 79 . 13 1 1 A 13 13 PHE C C 13 174.289 174.300 -0.011 1
1 80 . 13 1 1 A 14 14 LYS N N 14 124.280 120.209 4.071 1
1 81 . 13 1 1 A 14 14 LYS H H 14 8.599 8.824 -0.225 1
1 82 . 13 1 1 A 14 14 LYS CA C 14 55.128 55.935 -0.807 1
1 83 . 13 1 1 A 14 14 LYS HA H 14 4.876 4.832 0.044 1
1 84 . 13 1 1 A 14 14 LYS CB C 14 35.217 36.841 -1.624 1
1 96 . 13 1 1 A 14 14 LYS C C 14 175.445 174.255 1.190 1
1 97 . 13 1 1 A 15 15 CYS N N 15 126.829 123.644 3.185 1
1 98 . 13 1 1 A 15 15 CYS H H 15 9.153 9.309 -0.156 1
1 99 . 13 1 1 A 15 15 CYS CA C 15 59.229 58.592 0.637 1
1 100 . 13 1 1 A 15 15 CYS HA H 15 4.498 4.832 -0.334 1
1 101 . 13 1 1 A 15 15 CYS CB C 15 29.719 29.452 0.267 1
1 104 . 13 1 1 A 15 15 CYS C C 15 176.812 174.473 2.339 1
1 105 . 13 1 1 A 16 16 ASP N N 16 131.329 123.269 8.060 1
1 106 . 13 1 1 A 16 16 ASP H H 16 9.242 8.990 0.252 1
1 107 . 13 1 1 A 16 16 ASP CA C 16 56.451 54.889 1.562 1
1 108 . 13 1 1 A 16 16 ASP HA H 16 4.402 4.851 -0.449 1
1 109 . 13 1 1 A 16 16 ASP CB C 16 40.727 42.252 -1.525 1
1 112 . 13 1 1 A 16 16 ASP C C 16 176.032 176.814 -0.782 1
1 113 . 13 1 1 A 17 17 ILE N N 17 121.275 118.255 3.020 1
1 114 . 13 1 1 A 17 17 ILE H H 17 8.635 7.689 0.946 1
1 115 . 13 1 1 A 17 17 ILE CA C 17 63.212 63.681 -0.469 1
1 116 . 13 1 1 A 17 17 ILE HA H 17 3.821 3.839 -0.018 1
1 117 . 13 1 1 A 17 17 ILE CB C 17 38.137 38.275 -0.138 1
1 130 . 13 1 1 A 17 17 ILE C C 17 177.086 177.650 -0.564 1
1 131 . 13 1 1 A 18 18 CYS N N 18 115.895 114.935 0.960 1
1 132 . 13 1 1 A 18 18 CYS H H 18 8.067 7.903 0.164 1
1 133 . 13 1 1 A 18 18 CYS CA C 18 58.167 58.586 -0.419 1
1 134 . 13 1 1 A 18 18 CYS HA H 18 5.107 4.678 0.429 1
1 135 . 13 1 1 A 18 18 CYS CB C 18 32.381 29.598 2.783 1
1 138 . 13 1 1 A 18 18 CYS C C 18 176.599 176.286 0.313 1
1 139 . 13 1 1 A 19 19 GLY N N 19 113.203 111.317 1.886 1
1 140 . 13 1 1 A 19 19 GLY H H 19 8.004 8.090 -0.086 1
1 141 . 13 1 1 A 19 19 GLY CA C 19 46.439 45.891 0.548 1
1 142 . 13 1 1 A 19 19 GLY HA2 H 19 3.769 3.994 -0.225 1
1 143 . 13 1 1 A 19 19 GLY HA3 H 19 4.167 4.014 0.153 1
1 144 . 13 1 1 A 19 19 GLY C C 19 173.734 174.549 -0.815 1
1 145 . 13 1 1 A 20 20 LYS N N 20 122.356 121.345 1.011 1
1 146 . 13 1 1 A 20 20 LYS H H 20 7.822 7.415 0.407 1
1 147 . 13 1 1 A 20 20 LYS CA C 20 57.737 57.140 0.597 1
1 148 . 13 1 1 A 20 20 LYS HA H 20 4.045 4.205 -0.160 1
1 149 . 13 1 1 A 20 20 LYS CB C 20 33.982 33.598 0.384 1
1 161 . 13 1 1 A 20 20 LYS C C 20 174.356 176.463 -2.107 1
1 162 . 13 1 1 A 21 21 SER N N 21 114.802 117.396 -2.594 1
1 163 . 13 1 1 A 21 21 SER H H 21 7.870 8.251 -0.381 1
1 164 . 13 1 1 A 21 21 SER CA C 21 57.281 56.457 0.824 1
1 165 . 13 1 1 A 21 21 SER HA H 21 5.187 5.498 -0.311 1
1 166 . 13 1 1 A 21 21 SER CB C 21 65.661 65.481 0.180 1
1 169 . 13 1 1 A 21 21 SER C C 21 173.041 173.675 -0.634 1
1 170 . 13 1 1 A 22 22 PHE N N 22 118.519 117.876 0.643 1
1 171 . 13 1 1 A 22 22 PHE H H 22 8.795 8.829 -0.034 1
1 172 . 13 1 1 A 22 22 PHE CA C 22 58.014 56.529 1.485 1
1 173 . 13 1 1 A 22 22 PHE HA H 22 3.364 4.935 -1.571 1
1 174 . 13 1 1 A 22 22 PHE CB C 22 44.178 42.200 1.978 1
1 187 . 13 1 1 A 22 22 PHE C C 22 175.163 175.816 -0.653 1
1 188 . 13 1 1 A 23 23 CYS CA C 23 59.537 61.743 -2.206 1
1 189 . 13 1 1 A 23 23 CYS HA H 23 4.584 4.357 0.227 1
1 190 . 13 1 1 A 23 23 CYS CB C 23 27.668 27.793 -0.125 1
1 193 . 13 1 1 A 23 23 CYS C C 23 174.498 175.225 -0.727 1
1 194 . 13 1 1 A 24 24 GLY N N 24 110.238 108.319 1.919 1
1 195 . 13 1 1 A 24 24 GLY H H 24 7.698 8.037 -0.339 1
1 196 . 13 1 1 A 24 24 GLY CA C 24 44.739 44.451 0.288 1
1 197 . 13 1 1 A 24 24 GLY HA2 H 24 4.165 4.131 0.034 1
1 198 . 13 1 1 A 24 24 GLY HA3 H 24 3.964 4.158 -0.194 1
1 199 . 13 1 1 A 24 24 GLY C C 24 172.746 174.107 -1.361 1
1 200 . 13 1 1 A 25 25 ARG N N 25 123.007 124.403 -1.396 1
1 201 . 13 1 1 A 25 25 ARG H H 25 8.249 7.754 0.495 1
1 202 . 13 1 1 A 25 25 ARG CA C 25 58.734 58.831 -0.097 1
1 203 . 13 1 1 A 25 25 ARG HA H 25 3.118 3.309 -0.191 1
1 204 . 13 1 1 A 25 25 ARG CB C 25 29.705 29.477 0.228 1
1 213 . 13 1 1 A 25 25 ARG C C 25 178.108 177.541 0.567 1
1 214 . 13 1 1 A 26 26 SER CA C 26 61.773 61.118 0.655 1
1 215 . 13 1 1 A 26 26 SER HA H 26 3.836 4.002 -0.166 1
1 216 . 13 1 1 A 26 26 SER CB C 26 61.872 62.769 -0.897 1
1 219 . 13 1 1 A 26 26 SER C C 26 177.394 176.448 0.946 1
1 220 . 13 1 1 A 27 27 ARG N N 27 121.358 120.474 0.884 1
1 221 . 13 1 1 A 27 27 ARG H H 27 7.581 7.445 0.136 1
1 222 . 13 1 1 A 27 27 ARG CA C 27 58.837 58.274 0.563 1
1 223 . 13 1 1 A 27 27 ARG HA H 27 3.924 4.134 -0.210 1
1 224 . 13 1 1 A 27 27 ARG CB C 27 29.724 30.564 -0.840 1
1 233 . 13 1 1 A 27 27 ARG C C 27 179.126 178.245 0.881 1
1 234 . 13 1 1 A 28 28 LEU N N 28 121.828 120.451 1.377 1
1 235 . 13 1 1 A 28 28 LEU H H 28 7.259 7.515 -0.256 1
1 236 . 13 1 1 A 28 28 LEU CA C 28 57.978 57.879 0.099 1
1 237 . 13 1 1 A 28 28 LEU HA H 28 3.366 2.432 0.934 1
1 238 . 13 1 1 A 28 28 LEU CB C 28 40.695 41.149 -0.454 1
1 251 . 13 1 1 A 28 28 LEU C C 28 177.702 178.084 -0.382 1
1 252 . 13 1 1 A 29 29 ASN N N 29 118.482 115.789 2.693 1
1 253 . 13 1 1 A 29 29 ASN H H 29 8.579 8.463 0.116 1
1 254 . 13 1 1 A 29 29 ASN CA C 29 56.000 56.389 -0.389 1
1 255 . 13 1 1 A 29 29 ASN HA H 29 4.264 4.284 -0.020 1
1 256 . 13 1 1 A 29 29 ASN CB C 29 37.394 37.785 -0.391 1
1 262 . 13 1 1 A 29 29 ASN C C 29 178.386 178.345 0.041 1
1 263 . 13 1 1 A 30 30 ARG N N 30 119.681 118.761 0.920 1
1 264 . 13 1 1 A 30 30 ARG H H 30 7.752 7.849 -0.097 1
1 265 . 13 1 1 A 30 30 ARG CA C 30 58.915 59.549 -0.634 1
1 266 . 13 1 1 A 30 30 ARG HA H 30 4.000 3.970 0.030 1
1 267 . 13 1 1 A 30 30 ARG CB C 30 29.883 29.709 0.174 1
1 276 . 13 1 1 A 30 30 ARG C C 30 178.773 179.216 -0.443 1
1 277 . 13 1 1 A 31 31 HIS N N 31 119.307 120.353 -1.046 1
1 278 . 13 1 1 A 31 31 HIS H H 31 7.577 8.004 -0.427 1
1 279 . 13 1 1 A 31 31 HIS CA C 31 58.939 59.594 -0.655 1
1 280 . 13 1 1 A 31 31 HIS HA H 31 4.111 4.281 -0.170 1
1 281 . 13 1 1 A 31 31 HIS CB C 31 27.639 29.151 -1.512 1
1 288 . 13 1 1 A 31 31 HIS C C 31 176.358 177.772 -1.414 1
1 289 . 13 1 1 A 32 32 SER N N 32 113.043 113.883 -0.840 1
1 290 . 13 1 1 A 32 32 SER H H 32 8.442 8.311 0.131 1
1 291 . 13 1 1 A 32 32 SER CA C 32 62.184 60.935 1.249 1
1 292 . 13 1 1 A 32 32 SER HA H 32 3.814 4.177 -0.363 1
1 293 . 13 1 1 A 32 32 SER CB C 32 63.027 62.958 0.069 1
1 296 . 13 1 1 A 32 32 SER C C 32 175.520 176.125 -0.605 1
1 297 . 13 1 1 A 33 33 MET N N 33 118.839 119.119 -0.280 1
1 298 . 13 1 1 A 33 33 MET H H 33 7.002 7.790 -0.788 1
1 299 . 13 1 1 A 33 33 MET CA C 33 57.473 57.562 -0.089 1
1 300 . 13 1 1 A 33 33 MET HA H 33 4.176 4.490 -0.314 1
1 301 . 13 1 1 A 33 33 MET CB C 33 32.277 32.270 0.007 1
1 311 . 13 1 1 A 33 33 MET C C 33 178.211 177.947 0.264 1
1 312 . 13 1 1 A 34 34 VAL N N 34 116.464 115.676 0.788 1
1 313 . 13 1 1 A 34 34 VAL H H 34 7.961 7.912 0.049 1
1 314 . 13 1 1 A 34 34 VAL CA C 34 63.927 64.635 -0.708 1
1 315 . 13 1 1 A 34 34 VAL HA H 34 3.845 3.894 -0.049 1
1 316 . 13 1 1 A 34 34 VAL CB C 34 30.987 31.374 -0.387 1
1 326 . 13 1 1 A 34 34 VAL C C 34 177.249 176.638 0.611 1
1 327 . 13 1 1 A 35 35 HIS N N 35 116.579 119.635 -3.056 1
1 328 . 13 1 1 A 35 35 HIS H H 35 7.050 7.948 -0.898 1
1 329 . 13 1 1 A 35 35 HIS CA C 35 55.032 58.321 -3.289 1
1 330 . 13 1 1 A 35 35 HIS HA H 35 4.866 4.401 0.465 1
1 331 . 13 1 1 A 35 35 HIS CB C 35 28.597 30.511 -1.914 1
1 338 . 13 1 1 A 35 35 HIS C C 35 175.442 175.777 -0.335 1
1 339 . 13 1 1 A 36 36 THR N N 36 113.320 113.028 0.292 1
1 340 . 13 1 1 A 36 36 THR H H 36 7.617 7.780 -0.163 1
1 341 . 13 1 1 A 36 36 THR CA C 36 62.572 63.005 -0.433 1
1 342 . 13 1 1 A 36 36 THR HA H 36 4.228 4.533 -0.305 1
1 343 . 13 1 1 A 36 36 THR CB C 36 69.623 71.118 -1.495 1
1 349 . 13 1 1 A 36 36 THR C C 36 174.335 174.589 -0.254 1
1 350 . 13 1 1 A 37 37 ALA N N 37 125.356 122.030 3.326 1
1 351 . 13 1 1 A 37 37 ALA H H 37 8.086 7.638 0.448 1
1 352 . 13 1 1 A 37 37 ALA CA C 37 52.577 51.643 0.934 1
1 353 . 13 1 1 A 37 37 ALA HA H 37 4.279 4.374 -0.095 1
1 354 . 13 1 1 A 37 37 ALA CB C 37 19.131 17.582 1.549 1
1 358 . 13 1 1 A 37 37 ALA C C 37 177.556 175.923 1.633 1
1 359 . 13 1 1 A 38 38 GLU N N 38 119.877 119.032 0.845 1
1 360 . 13 1 1 A 38 38 GLU H H 38 8.105 8.023 0.082 1
1 361 . 13 1 1 A 38 38 GLU CA C 38 56.451 54.905 1.546 1
1 362 . 13 1 1 A 38 38 GLU HA H 38 4.163 4.861 -0.698 1
1 363 . 13 1 1 A 38 38 GLU CB C 38 30.357 32.336 -1.979 1
1 369 . 13 1 1 A 38 38 GLU C C 38 176.160 175.347 0.813 1
1 370 . 13 1 1 A 39 39 LYS N N 39 123.534 120.852 2.682 1
1 371 . 13 1 1 A 39 39 LYS H H 39 8.259 8.474 -0.215 1
1 372 . 13 1 1 A 39 39 LYS CA C 39 54.110 55.216 -1.106 1
1 373 . 13 1 1 A 39 39 LYS HA H 39 4.547 4.299 0.248 1
1 374 . 13 1 1 A 39 39 LYS CB C 39 32.486 32.096 0.390 1
1 386 . 13 1 1 A 39 39 LYS C C 39 174.387 176.598 -2.211 1
1 387 . 13 1 1 A 40 40 PRO CA C 40 63.170 64.041 -0.871 1
1 388 . 13 1 1 A 40 40 PRO HA H 40 4.405 4.492 -0.087 1
1 389 . 13 1 1 A 40 40 PRO CB C 40 32.153 32.220 -0.067 1
1 398 . 13 1 1 A 41 41 SER N N 41 116.460 111.654 4.806 1
1 399 . 13 1 1 A 41 41 SER H H 41 8.499 7.921 0.578 1
1 400 . 13 1 1 A 42 42 GLY CA C 42 44.629 44.481 0.148 1
1 401 . 13 1 1 A 42 42 GLY HA2 H 42 4.100 4.052 0.048 1
1 402 . 13 1 1 A 42 42 GLY HA3 H 42 4.051 4.052 -0.001 1
1 403 . 13 1 1 A 43 43 PRO CA C 43 63.255 63.027 0.228 1
1 404 . 13 1 1 A 43 43 PRO HA H 43 4.417 4.383 0.034 1
1 405 . 13 1 1 A 43 43 PRO CB C 43 32.137 32.376 -0.239 1
1 414 . 13 1 1 A 44 44 SER N N 44 116.517 112.448 4.069 1
1 415 . 13 1 1 A 44 44 SER H H 44 8.453 8.593 -0.140 1
1 416 . 13 1 1 A 44 44 SER CB C 44 61.760 61.956 -0.196 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.476 45.826 -0.350 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.020 4.051 -0.031 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.020 4.052 -0.032 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.552 173.656 0.896 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.807 110.052 2.755 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.124 7.844 0.280 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.837 59.457 2.380 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.310 5.196 -0.886 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.739 71.756 -2.017 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.300 174.979 0.321 1
1 16 . 14 1 1 A 9 9 GLY N N 9 111.107 110.169 0.938 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.427 8.478 -0.051 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.215 44.808 0.407 1
1 19 . 14 1 1 A 9 9 GLY HA2 H 9 3.908 3.982 -0.074 1
1 20 . 14 1 1 A 9 9 GLY HA3 H 9 3.908 3.983 -0.075 1
1 21 . 14 1 1 A 9 9 GLY C C 9 174.012 174.252 -0.240 1
1 22 . 14 1 1 A 10 10 GLU N N 10 120.447 120.025 0.422 1
1 23 . 14 1 1 A 10 10 GLU H H 10 8.157 8.075 0.082 1
1 24 . 14 1 1 A 10 10 GLU CA C 10 56.427 54.386 2.041 1
1 25 . 14 1 1 A 10 10 GLU HA H 10 4.192 5.011 -0.819 1
1 26 . 14 1 1 A 10 10 GLU CB C 10 30.579 32.561 -1.982 1
1 32 . 14 1 1 A 10 10 GLU C C 10 176.190 175.480 0.710 1
1 33 . 14 1 1 A 11 11 LYS N N 11 123.159 120.507 2.652 1
1 34 . 14 1 1 A 11 11 LYS H H 11 8.316 8.596 -0.280 1
1 35 . 14 1 1 A 11 11 LYS CA C 11 54.101 53.888 0.213 1
1 36 . 14 1 1 A 11 11 LYS HA H 11 4.442 4.682 -0.240 1
1 37 . 14 1 1 A 11 11 LYS CB C 11 32.610 32.492 0.118 1
1 49 . 14 1 1 A 11 11 LYS C C 11 174.187 176.403 -2.216 1
1 50 . 14 1 1 A 12 12 PRO CA C 12 63.210 63.833 -0.623 1
1 51 . 14 1 1 A 12 12 PRO HA H 12 4.407 4.308 0.099 1
1 52 . 14 1 1 A 12 12 PRO CB C 12 32.232 31.207 1.025 1
1 61 . 14 1 1 A 12 12 PRO C C 12 176.447 175.705 0.742 1
1 62 . 14 1 1 A 13 13 PHE N N 13 119.708 118.502 1.206 1
1 63 . 14 1 1 A 13 13 PHE H H 13 8.425 7.596 0.829 1
1 64 . 14 1 1 A 13 13 PHE CA C 13 57.386 56.493 0.893 1
1 65 . 14 1 1 A 13 13 PHE HA H 13 4.561 5.310 -0.749 1
1 66 . 14 1 1 A 13 13 PHE CB C 13 40.677 44.248 -3.571 1
1 79 . 14 1 1 A 13 13 PHE C C 13 174.289 174.239 0.050 1
1 80 . 14 1 1 A 14 14 LYS N N 14 124.280 120.300 3.980 1
1 81 . 14 1 1 A 14 14 LYS H H 14 8.599 8.821 -0.222 1
1 82 . 14 1 1 A 14 14 LYS CA C 14 55.128 55.881 -0.753 1
1 83 . 14 1 1 A 14 14 LYS HA H 14 4.876 4.829 0.047 1
1 84 . 14 1 1 A 14 14 LYS CB C 14 35.217 36.749 -1.532 1
1 96 . 14 1 1 A 14 14 LYS C C 14 175.445 174.238 1.207 1
1 97 . 14 1 1 A 15 15 CYS N N 15 126.829 123.665 3.164 1
1 98 . 14 1 1 A 15 15 CYS H H 15 9.153 9.394 -0.241 1
1 99 . 14 1 1 A 15 15 CYS CA C 15 59.229 58.831 0.398 1
1 100 . 14 1 1 A 15 15 CYS HA H 15 4.498 4.764 -0.266 1
1 101 . 14 1 1 A 15 15 CYS CB C 15 29.719 29.448 0.271 1
1 104 . 14 1 1 A 15 15 CYS C C 15 176.812 174.515 2.297 1
1 105 . 14 1 1 A 16 16 ASP N N 16 131.329 123.319 8.010 1
1 106 . 14 1 1 A 16 16 ASP H H 16 9.242 8.942 0.300 1
1 107 . 14 1 1 A 16 16 ASP CA C 16 56.451 54.886 1.565 1
1 108 . 14 1 1 A 16 16 ASP HA H 16 4.402 4.857 -0.455 1
1 109 . 14 1 1 A 16 16 ASP CB C 16 40.727 42.309 -1.582 1
1 112 . 14 1 1 A 16 16 ASP C C 16 176.032 176.959 -0.927 1
1 113 . 14 1 1 A 17 17 ILE N N 17 121.275 118.844 2.431 1
1 114 . 14 1 1 A 17 17 ILE H H 17 8.635 7.703 0.932 1
1 115 . 14 1 1 A 17 17 ILE CA C 17 63.212 63.819 -0.607 1
1 116 . 14 1 1 A 17 17 ILE HA H 17 3.821 3.808 0.013 1
1 117 . 14 1 1 A 17 17 ILE CB C 17 38.137 38.117 0.020 1
1 130 . 14 1 1 A 17 17 ILE C C 17 177.086 177.661 -0.575 1
1 131 . 14 1 1 A 18 18 CYS N N 18 115.895 115.093 0.802 1
1 132 . 14 1 1 A 18 18 CYS H H 18 8.067 7.905 0.162 1
1 133 . 14 1 1 A 18 18 CYS CA C 18 58.167 58.589 -0.422 1
1 134 . 14 1 1 A 18 18 CYS HA H 18 5.107 4.686 0.421 1
1 135 . 14 1 1 A 18 18 CYS CB C 18 32.381 29.714 2.667 1
1 138 . 14 1 1 A 18 18 CYS C C 18 176.599 176.261 0.338 1
1 139 . 14 1 1 A 19 19 GLY N N 19 113.203 111.068 2.135 1
1 140 . 14 1 1 A 19 19 GLY H H 19 8.004 8.165 -0.161 1
1 141 . 14 1 1 A 19 19 GLY CA C 19 46.439 45.831 0.608 1
1 142 . 14 1 1 A 19 19 GLY HA2 H 19 3.769 3.988 -0.219 1
1 143 . 14 1 1 A 19 19 GLY HA3 H 19 4.167 4.007 0.160 1
1 144 . 14 1 1 A 19 19 GLY C C 19 173.734 174.549 -0.815 1
1 145 . 14 1 1 A 20 20 LYS N N 20 122.356 121.225 1.131 1
1 146 . 14 1 1 A 20 20 LYS H H 20 7.822 7.441 0.381 1
1 147 . 14 1 1 A 20 20 LYS CA C 20 57.737 57.038 0.699 1
1 148 . 14 1 1 A 20 20 LYS HA H 20 4.045 4.216 -0.171 1
1 149 . 14 1 1 A 20 20 LYS CB C 20 33.982 33.610 0.372 1
1 161 . 14 1 1 A 20 20 LYS C C 20 174.356 176.601 -2.245 1
1 162 . 14 1 1 A 21 21 SER N N 21 114.802 117.460 -2.658 1
1 163 . 14 1 1 A 21 21 SER H H 21 7.870 8.264 -0.394 1
1 164 . 14 1 1 A 21 21 SER CA C 21 57.281 56.482 0.799 1
1 165 . 14 1 1 A 21 21 SER HA H 21 5.187 5.436 -0.249 1
1 166 . 14 1 1 A 21 21 SER CB C 21 65.661 65.487 0.174 1
1 169 . 14 1 1 A 21 21 SER C C 21 173.041 173.892 -0.851 1
1 170 . 14 1 1 A 22 22 PHE N N 22 118.519 117.918 0.601 1
1 171 . 14 1 1 A 22 22 PHE H H 22 8.795 8.840 -0.045 1
1 172 . 14 1 1 A 22 22 PHE CA C 22 58.014 56.427 1.587 1
1 173 . 14 1 1 A 22 22 PHE HA H 22 3.364 4.935 -1.571 1
1 174 . 14 1 1 A 22 22 PHE CB C 22 44.178 41.981 2.197 1
1 187 . 14 1 1 A 22 22 PHE C C 22 175.163 175.865 -0.702 1
1 188 . 14 1 1 A 23 23 CYS CA C 23 59.537 61.728 -2.191 1
1 189 . 14 1 1 A 23 23 CYS HA H 23 4.584 4.352 0.232 1
1 190 . 14 1 1 A 23 23 CYS CB C 23 27.668 27.741 -0.073 1
1 193 . 14 1 1 A 23 23 CYS C C 23 174.498 175.228 -0.730 1
1 194 . 14 1 1 A 24 24 GLY N N 24 110.238 108.471 1.767 1
1 195 . 14 1 1 A 24 24 GLY H H 24 7.698 8.043 -0.345 1
1 196 . 14 1 1 A 24 24 GLY CA C 24 44.739 44.485 0.254 1
1 197 . 14 1 1 A 24 24 GLY HA2 H 24 4.165 4.146 0.019 1
1 198 . 14 1 1 A 24 24 GLY HA3 H 24 3.964 4.160 -0.196 1
1 199 . 14 1 1 A 24 24 GLY C C 24 172.746 174.242 -1.496 1
1 200 . 14 1 1 A 25 25 ARG N N 25 123.007 124.766 -1.759 1
1 201 . 14 1 1 A 25 25 ARG H H 25 8.249 7.739 0.510 1
1 202 . 14 1 1 A 25 25 ARG CA C 25 58.734 58.820 -0.086 1
1 203 . 14 1 1 A 25 25 ARG HA H 25 3.118 3.308 -0.190 1
1 204 . 14 1 1 A 25 25 ARG CB C 25 29.705 29.451 0.254 1
1 213 . 14 1 1 A 25 25 ARG C C 25 178.108 177.513 0.595 1
1 214 . 14 1 1 A 26 26 SER CA C 26 61.773 61.195 0.578 1
1 215 . 14 1 1 A 26 26 SER HA H 26 3.836 4.016 -0.180 1
1 216 . 14 1 1 A 26 26 SER CB C 26 61.872 62.890 -1.018 1
1 219 . 14 1 1 A 26 26 SER C C 26 177.394 176.533 0.861 1
1 220 . 14 1 1 A 27 27 ARG N N 27 121.358 120.778 0.580 1
1 221 . 14 1 1 A 27 27 ARG H H 27 7.581 7.500 0.081 1
1 222 . 14 1 1 A 27 27 ARG CA C 27 58.837 58.171 0.666 1
1 223 . 14 1 1 A 27 27 ARG HA H 27 3.924 4.077 -0.153 1
1 224 . 14 1 1 A 27 27 ARG CB C 27 29.724 30.584 -0.860 1
1 233 . 14 1 1 A 27 27 ARG C C 27 179.126 178.027 1.099 1
1 234 . 14 1 1 A 28 28 LEU N N 28 121.828 120.289 1.539 1
1 235 . 14 1 1 A 28 28 LEU H H 28 7.259 7.458 -0.199 1
1 236 . 14 1 1 A 28 28 LEU CA C 28 57.978 57.968 0.010 1
1 237 . 14 1 1 A 28 28 LEU HA H 28 3.366 2.451 0.915 1
1 238 . 14 1 1 A 28 28 LEU CB C 28 40.695 41.211 -0.516 1
1 251 . 14 1 1 A 28 28 LEU C C 28 177.702 177.986 -0.284 1
1 252 . 14 1 1 A 29 29 ASN N N 29 118.482 115.818 2.664 1
1 253 . 14 1 1 A 29 29 ASN H H 29 8.579 8.473 0.106 1
1 254 . 14 1 1 A 29 29 ASN CA C 29 56.000 56.296 -0.296 1
1 255 . 14 1 1 A 29 29 ASN HA H 29 4.264 4.289 -0.025 1
1 256 . 14 1 1 A 29 29 ASN CB C 29 37.394 37.773 -0.379 1
1 262 . 14 1 1 A 29 29 ASN C C 29 178.386 178.330 0.056 1
1 263 . 14 1 1 A 30 30 ARG N N 30 119.681 118.620 1.061 1
1 264 . 14 1 1 A 30 30 ARG H H 30 7.752 7.812 -0.060 1
1 265 . 14 1 1 A 30 30 ARG CA C 30 58.915 59.547 -0.632 1
1 266 . 14 1 1 A 30 30 ARG HA H 30 4.000 3.968 0.032 1
1 267 . 14 1 1 A 30 30 ARG CB C 30 29.883 29.739 0.144 1
1 276 . 14 1 1 A 30 30 ARG C C 30 178.773 179.197 -0.424 1
1 277 . 14 1 1 A 31 31 HIS N N 31 119.307 120.322 -1.015 1
1 278 . 14 1 1 A 31 31 HIS H H 31 7.577 8.053 -0.476 1
1 279 . 14 1 1 A 31 31 HIS CA C 31 58.939 59.797 -0.858 1
1 280 . 14 1 1 A 31 31 HIS HA H 31 4.111 4.242 -0.131 1
1 281 . 14 1 1 A 31 31 HIS CB C 31 27.639 29.195 -1.556 1
1 288 . 14 1 1 A 31 31 HIS C C 31 176.358 177.893 -1.535 1
1 289 . 14 1 1 A 32 32 SER N N 32 113.043 113.869 -0.826 1
1 290 . 14 1 1 A 32 32 SER H H 32 8.442 8.278 0.164 1
1 291 . 14 1 1 A 32 32 SER CA C 32 62.184 60.855 1.329 1
1 292 . 14 1 1 A 32 32 SER HA H 32 3.814 4.221 -0.407 1
1 293 . 14 1 1 A 32 32 SER CB C 32 63.027 62.929 0.098 1
1 296 . 14 1 1 A 32 32 SER C C 32 175.520 175.549 -0.029 1
1 297 . 14 1 1 A 33 33 MET N N 33 118.839 118.903 -0.064 1
1 298 . 14 1 1 A 33 33 MET H H 33 7.002 7.813 -0.811 1
1 299 . 14 1 1 A 33 33 MET CA C 33 57.473 56.957 0.516 1
1 300 . 14 1 1 A 33 33 MET HA H 33 4.176 4.493 -0.317 1
1 301 . 14 1 1 A 33 33 MET CB C 33 32.277 32.607 -0.330 1
1 311 . 14 1 1 A 33 33 MET C C 33 178.211 177.704 0.507 1
1 312 . 14 1 1 A 34 34 VAL N N 34 116.464 116.011 0.453 1
1 313 . 14 1 1 A 34 34 VAL H H 34 7.961 7.792 0.169 1
1 314 . 14 1 1 A 34 34 VAL CA C 34 63.927 65.014 -1.087 1
1 315 . 14 1 1 A 34 34 VAL HA H 34 3.845 3.901 -0.056 1
1 316 . 14 1 1 A 34 34 VAL CB C 34 30.987 31.143 -0.156 1
1 326 . 14 1 1 A 34 34 VAL C C 34 177.249 177.378 -0.129 1
1 327 . 14 1 1 A 35 35 HIS N N 35 116.579 119.880 -3.301 1
1 328 . 14 1 1 A 35 35 HIS H H 35 7.050 7.867 -0.817 1
1 329 . 14 1 1 A 35 35 HIS CA C 35 55.032 59.307 -4.275 1
1 330 . 14 1 1 A 35 35 HIS HA H 35 4.866 4.257 0.609 1
1 331 . 14 1 1 A 35 35 HIS CB C 35 28.597 30.474 -1.877 1
1 338 . 14 1 1 A 35 35 HIS C C 35 175.442 175.992 -0.550 1
1 339 . 14 1 1 A 36 36 THR N N 36 113.320 113.144 0.176 1
1 340 . 14 1 1 A 36 36 THR H H 36 7.617 7.401 0.216 1
1 341 . 14 1 1 A 36 36 THR CA C 36 62.572 63.337 -0.765 1
1 342 . 14 1 1 A 36 36 THR HA H 36 4.228 4.460 -0.232 1
1 343 . 14 1 1 A 36 36 THR CB C 36 69.623 70.442 -0.819 1
1 349 . 14 1 1 A 36 36 THR C C 36 174.335 174.721 -0.386 1
1 350 . 14 1 1 A 37 37 ALA N N 37 125.356 121.565 3.791 1
1 351 . 14 1 1 A 37 37 ALA H H 37 8.086 7.353 0.733 1
1 352 . 14 1 1 A 37 37 ALA CA C 37 52.577 51.613 0.964 1
1 353 . 14 1 1 A 37 37 ALA HA H 37 4.279 4.338 -0.059 1
1 354 . 14 1 1 A 37 37 ALA CB C 37 19.131 17.566 1.565 1
1 358 . 14 1 1 A 37 37 ALA C C 37 177.556 175.519 2.037 1
1 359 . 14 1 1 A 38 38 GLU N N 38 119.877 120.882 -1.005 1
1 360 . 14 1 1 A 38 38 GLU H H 38 8.105 8.277 -0.172 1
1 361 . 14 1 1 A 38 38 GLU CA C 38 56.451 54.825 1.626 1
1 362 . 14 1 1 A 38 38 GLU HA H 38 4.163 4.822 -0.659 1
1 363 . 14 1 1 A 38 38 GLU CB C 38 30.357 33.050 -2.693 1
1 369 . 14 1 1 A 38 38 GLU C C 38 176.160 175.575 0.585 1
1 370 . 14 1 1 A 39 39 LYS N N 39 123.534 123.241 0.293 1
1 371 . 14 1 1 A 39 39 LYS H H 39 8.259 8.606 -0.347 1
1 372 . 14 1 1 A 39 39 LYS CA C 39 54.110 53.845 0.265 1
1 373 . 14 1 1 A 39 39 LYS HA H 39 4.547 4.622 -0.075 1
1 374 . 14 1 1 A 39 39 LYS CB C 39 32.486 31.919 0.567 1
1 386 . 14 1 1 A 39 39 LYS C C 39 174.387 174.926 -0.539 1
1 387 . 14 1 1 A 40 40 PRO CA C 40 63.170 62.534 0.636 1
1 388 . 14 1 1 A 40 40 PRO HA H 40 4.405 4.742 -0.337 1
1 389 . 14 1 1 A 40 40 PRO CB C 40 32.153 30.234 1.919 1
1 398 . 14 1 1 A 41 41 SER N N 41 116.460 119.904 -3.444 1
1 399 . 14 1 1 A 41 41 SER H H 41 8.499 8.308 0.191 1
1 400 . 14 1 1 A 42 42 GLY CA C 42 44.629 45.708 -1.079 1
1 401 . 14 1 1 A 42 42 GLY HA2 H 42 4.100 4.194 -0.094 1
1 402 . 14 1 1 A 42 42 GLY HA3 H 42 4.051 4.194 -0.143 1
1 403 . 14 1 1 A 43 43 PRO CA C 43 63.255 62.393 0.862 1
1 404 . 14 1 1 A 43 43 PRO HA H 43 4.417 4.750 -0.333 1
1 405 . 14 1 1 A 43 43 PRO CB C 43 32.137 29.807 2.330 1
1 414 . 14 1 1 A 44 44 SER N N 44 116.517 119.124 -2.607 1
1 415 . 14 1 1 A 44 44 SER H H 44 8.453 8.253 0.200 1
1 416 . 14 1 1 A 44 44 SER CB C 44 61.760 63.931 -2.171 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.476 45.982 -0.506 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.020 4.062 -0.042 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.020 4.063 -0.043 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.552 174.288 0.264 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.807 115.907 -3.100 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.124 7.866 0.258 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.837 61.351 0.486 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.310 4.484 -0.174 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.739 68.648 1.091 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.300 174.205 1.095 1
1 16 . 15 1 1 A 9 9 GLY N N 9 111.107 114.951 -3.844 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.427 8.352 0.075 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.215 45.845 -0.630 1
1 19 . 15 1 1 A 9 9 GLY HA2 H 9 3.908 4.035 -0.127 1
1 20 . 15 1 1 A 9 9 GLY HA3 H 9 3.908 4.036 -0.128 1
1 21 . 15 1 1 A 9 9 GLY C C 9 174.012 173.908 0.104 1
1 22 . 15 1 1 A 10 10 GLU N N 10 120.447 115.314 5.133 1
1 23 . 15 1 1 A 10 10 GLU H H 10 8.157 7.981 0.176 1
1 24 . 15 1 1 A 10 10 GLU CA C 10 56.427 54.233 2.194 1
1 25 . 15 1 1 A 10 10 GLU HA H 10 4.192 4.907 -0.715 1
1 26 . 15 1 1 A 10 10 GLU CB C 10 30.579 32.082 -1.503 1
1 32 . 15 1 1 A 10 10 GLU C C 10 176.190 175.882 0.308 1
1 33 . 15 1 1 A 11 11 LYS N N 11 123.159 120.562 2.597 1
1 34 . 15 1 1 A 11 11 LYS H H 11 8.316 8.509 -0.193 1
1 35 . 15 1 1 A 11 11 LYS CA C 11 54.101 54.929 -0.828 1
1 36 . 15 1 1 A 11 11 LYS HA H 11 4.442 4.426 0.016 1
1 37 . 15 1 1 A 11 11 LYS CB C 11 32.610 31.855 0.755 1
1 49 . 15 1 1 A 11 11 LYS C C 11 174.187 176.528 -2.341 1
1 50 . 15 1 1 A 12 12 PRO CA C 12 63.210 63.831 -0.621 1
1 51 . 15 1 1 A 12 12 PRO HA H 12 4.407 4.316 0.091 1
1 52 . 15 1 1 A 12 12 PRO CB C 12 32.232 31.277 0.955 1
1 61 . 15 1 1 A 12 12 PRO C C 12 176.447 175.678 0.769 1
1 62 . 15 1 1 A 13 13 PHE N N 13 119.708 118.502 1.206 1
1 63 . 15 1 1 A 13 13 PHE H H 13 8.425 7.598 0.827 1
1 64 . 15 1 1 A 13 13 PHE CA C 13 57.386 56.496 0.890 1
1 65 . 15 1 1 A 13 13 PHE HA H 13 4.561 5.323 -0.762 1
1 66 . 15 1 1 A 13 13 PHE CB C 13 40.677 44.262 -3.585 1
1 79 . 15 1 1 A 13 13 PHE C C 13 174.289 174.291 -0.002 1
1 80 . 15 1 1 A 14 14 LYS N N 14 124.280 120.201 4.079 1
1 81 . 15 1 1 A 14 14 LYS H H 14 8.599 8.820 -0.221 1
1 82 . 15 1 1 A 14 14 LYS CA C 14 55.128 55.936 -0.808 1
1 83 . 15 1 1 A 14 14 LYS HA H 14 4.876 4.841 0.035 1
1 84 . 15 1 1 A 14 14 LYS CB C 14 35.217 36.844 -1.627 1
1 96 . 15 1 1 A 14 14 LYS C C 14 175.445 174.252 1.193 1
1 97 . 15 1 1 A 15 15 CYS N N 15 126.829 123.723 3.106 1
1 98 . 15 1 1 A 15 15 CYS H H 15 9.153 9.353 -0.200 1
1 99 . 15 1 1 A 15 15 CYS CA C 15 59.229 58.583 0.646 1
1 100 . 15 1 1 A 15 15 CYS HA H 15 4.498 4.813 -0.315 1
1 101 . 15 1 1 A 15 15 CYS CB C 15 29.719 29.549 0.170 1
1 104 . 15 1 1 A 15 15 CYS C C 15 176.812 174.452 2.360 1
1 105 . 15 1 1 A 16 16 ASP N N 16 131.329 123.337 7.992 1
1 106 . 15 1 1 A 16 16 ASP H H 16 9.242 9.036 0.206 1
1 107 . 15 1 1 A 16 16 ASP CA C 16 56.451 54.923 1.528 1
1 108 . 15 1 1 A 16 16 ASP HA H 16 4.402 4.875 -0.473 1
1 109 . 15 1 1 A 16 16 ASP CB C 16 40.727 42.394 -1.667 1
1 112 . 15 1 1 A 16 16 ASP C C 16 176.032 176.965 -0.933 1
1 113 . 15 1 1 A 17 17 ILE N N 17 121.275 118.290 2.985 1
1 114 . 15 1 1 A 17 17 ILE H H 17 8.635 7.719 0.916 1
1 115 . 15 1 1 A 17 17 ILE CA C 17 63.212 63.831 -0.619 1
1 116 . 15 1 1 A 17 17 ILE HA H 17 3.821 3.816 0.005 1
1 117 . 15 1 1 A 17 17 ILE CB C 17 38.137 38.142 -0.005 1
1 130 . 15 1 1 A 17 17 ILE C C 17 177.086 177.665 -0.579 1
1 131 . 15 1 1 A 18 18 CYS N N 18 115.895 114.785 1.110 1
1 132 . 15 1 1 A 18 18 CYS H H 18 8.067 7.886 0.181 1
1 133 . 15 1 1 A 18 18 CYS CA C 18 58.167 58.587 -0.420 1
1 134 . 15 1 1 A 18 18 CYS HA H 18 5.107 4.678 0.429 1
1 135 . 15 1 1 A 18 18 CYS CB C 18 32.381 29.550 2.831 1
1 138 . 15 1 1 A 18 18 CYS C C 18 176.599 176.250 0.349 1
1 139 . 15 1 1 A 19 19 GLY N N 19 113.203 111.199 2.004 1
1 140 . 15 1 1 A 19 19 GLY H H 19 8.004 8.136 -0.132 1
1 141 . 15 1 1 A 19 19 GLY CA C 19 46.439 45.914 0.525 1
1 142 . 15 1 1 A 19 19 GLY HA2 H 19 3.769 3.996 -0.227 1
1 143 . 15 1 1 A 19 19 GLY HA3 H 19 4.167 4.015 0.152 1
1 144 . 15 1 1 A 19 19 GLY C C 19 173.734 174.542 -0.808 1
1 145 . 15 1 1 A 20 20 LYS N N 20 122.356 121.445 0.911 1
1 146 . 15 1 1 A 20 20 LYS H H 20 7.822 7.417 0.405 1
1 147 . 15 1 1 A 20 20 LYS CA C 20 57.737 57.046 0.691 1
1 148 . 15 1 1 A 20 20 LYS HA H 20 4.045 4.219 -0.174 1
1 149 . 15 1 1 A 20 20 LYS CB C 20 33.982 33.672 0.310 1
1 161 . 15 1 1 A 20 20 LYS C C 20 174.356 176.653 -2.297 1
1 162 . 15 1 1 A 21 21 SER N N 21 114.802 117.556 -2.754 1
1 163 . 15 1 1 A 21 21 SER H H 21 7.870 8.284 -0.414 1
1 164 . 15 1 1 A 21 21 SER CA C 21 57.281 56.499 0.782 1
1 165 . 15 1 1 A 21 21 SER HA H 21 5.187 5.488 -0.301 1
1 166 . 15 1 1 A 21 21 SER CB C 21 65.661 65.512 0.149 1
1 169 . 15 1 1 A 21 21 SER C C 21 173.041 173.944 -0.903 1
1 170 . 15 1 1 A 22 22 PHE N N 22 118.519 117.964 0.555 1
1 171 . 15 1 1 A 22 22 PHE H H 22 8.795 8.895 -0.100 1
1 172 . 15 1 1 A 22 22 PHE CA C 22 58.014 56.423 1.591 1
1 173 . 15 1 1 A 22 22 PHE HA H 22 3.364 4.966 -1.602 1
1 174 . 15 1 1 A 22 22 PHE CB C 22 44.178 41.944 2.234 1
1 187 . 15 1 1 A 22 22 PHE C C 22 175.163 175.880 -0.717 1
1 188 . 15 1 1 A 23 23 CYS CA C 23 59.537 61.365 -1.828 1
1 189 . 15 1 1 A 23 23 CYS HA H 23 4.584 4.360 0.224 1
1 190 . 15 1 1 A 23 23 CYS CB C 23 27.668 27.590 0.078 1
1 193 . 15 1 1 A 23 23 CYS C C 23 174.498 175.167 -0.669 1
1 194 . 15 1 1 A 24 24 GLY N N 24 110.238 108.851 1.387 1
1 195 . 15 1 1 A 24 24 GLY H H 24 7.698 7.882 -0.184 1
1 196 . 15 1 1 A 24 24 GLY CA C 24 44.739 44.578 0.161 1
1 197 . 15 1 1 A 24 24 GLY HA2 H 24 4.165 4.072 0.093 1
1 198 . 15 1 1 A 24 24 GLY HA3 H 24 3.964 4.103 -0.139 1
1 199 . 15 1 1 A 24 24 GLY C C 24 172.746 174.159 -1.413 1
1 200 . 15 1 1 A 25 25 ARG N N 25 123.007 124.423 -1.416 1
1 201 . 15 1 1 A 25 25 ARG H H 25 8.249 7.557 0.692 1
1 202 . 15 1 1 A 25 25 ARG CA C 25 58.734 58.927 -0.193 1
1 203 . 15 1 1 A 25 25 ARG HA H 25 3.118 3.303 -0.185 1
1 204 . 15 1 1 A 25 25 ARG CB C 25 29.705 29.400 0.305 1
1 213 . 15 1 1 A 25 25 ARG C C 25 178.108 177.670 0.438 1
1 214 . 15 1 1 A 26 26 SER CA C 26 61.773 61.697 0.076 1
1 215 . 15 1 1 A 26 26 SER HA H 26 3.836 4.035 -0.199 1
1 216 . 15 1 1 A 26 26 SER CB C 26 61.872 63.042 -1.170 1
1 219 . 15 1 1 A 26 26 SER C C 26 177.394 176.319 1.075 1
1 220 . 15 1 1 A 27 27 ARG N N 27 121.358 120.633 0.725 1
1 221 . 15 1 1 A 27 27 ARG H H 27 7.581 7.436 0.145 1
1 222 . 15 1 1 A 27 27 ARG CA C 27 58.837 58.231 0.606 1
1 223 . 15 1 1 A 27 27 ARG HA H 27 3.924 4.145 -0.221 1
1 224 . 15 1 1 A 27 27 ARG CB C 27 29.724 30.588 -0.864 1
1 233 . 15 1 1 A 27 27 ARG C C 27 179.126 178.294 0.832 1
1 234 . 15 1 1 A 28 28 LEU N N 28 121.828 120.493 1.335 1
1 235 . 15 1 1 A 28 28 LEU H H 28 7.259 7.598 -0.339 1
1 236 . 15 1 1 A 28 28 LEU CA C 28 57.978 57.837 0.141 1
1 237 . 15 1 1 A 28 28 LEU HA H 28 3.366 2.455 0.911 1
1 238 . 15 1 1 A 28 28 LEU CB C 28 40.695 41.088 -0.393 1
1 251 . 15 1 1 A 28 28 LEU C C 28 177.702 178.105 -0.403 1
1 252 . 15 1 1 A 29 29 ASN N N 29 118.482 115.776 2.706 1
1 253 . 15 1 1 A 29 29 ASN H H 29 8.579 8.541 0.038 1
1 254 . 15 1 1 A 29 29 ASN CA C 29 56.000 56.320 -0.320 1
1 255 . 15 1 1 A 29 29 ASN HA H 29 4.264 4.280 -0.016 1
1 256 . 15 1 1 A 29 29 ASN CB C 29 37.394 37.783 -0.389 1
1 262 . 15 1 1 A 29 29 ASN C C 29 178.386 178.343 0.043 1
1 263 . 15 1 1 A 30 30 ARG N N 30 119.681 118.781 0.900 1
1 264 . 15 1 1 A 30 30 ARG H H 30 7.752 8.097 -0.345 1
1 265 . 15 1 1 A 30 30 ARG CA C 30 58.915 59.556 -0.641 1
1 266 . 15 1 1 A 30 30 ARG HA H 30 4.000 3.973 0.027 1
1 267 . 15 1 1 A 30 30 ARG CB C 30 29.883 29.739 0.144 1
1 276 . 15 1 1 A 30 30 ARG C C 30 178.773 179.178 -0.405 1
1 277 . 15 1 1 A 31 31 HIS N N 31 119.307 120.351 -1.044 1
1 278 . 15 1 1 A 31 31 HIS H H 31 7.577 8.033 -0.456 1
1 279 . 15 1 1 A 31 31 HIS CA C 31 58.939 59.749 -0.810 1
1 280 . 15 1 1 A 31 31 HIS HA H 31 4.111 4.254 -0.143 1
1 281 . 15 1 1 A 31 31 HIS CB C 31 27.639 29.248 -1.609 1
1 288 . 15 1 1 A 31 31 HIS C C 31 176.358 177.802 -1.444 1
1 289 . 15 1 1 A 32 32 SER N N 32 113.043 113.720 -0.677 1
1 290 . 15 1 1 A 32 32 SER H H 32 8.442 8.239 0.203 1
1 291 . 15 1 1 A 32 32 SER CA C 32 62.184 60.949 1.235 1
1 292 . 15 1 1 A 32 32 SER HA H 32 3.814 4.200 -0.386 1
1 293 . 15 1 1 A 32 32 SER CB C 32 63.027 62.999 0.028 1
1 296 . 15 1 1 A 32 32 SER C C 32 175.520 175.736 -0.216 1
1 297 . 15 1 1 A 33 33 MET N N 33 118.839 119.075 -0.236 1
1 298 . 15 1 1 A 33 33 MET H H 33 7.002 7.807 -0.805 1
1 299 . 15 1 1 A 33 33 MET CA C 33 57.473 57.574 -0.101 1
1 300 . 15 1 1 A 33 33 MET HA H 33 4.176 4.497 -0.321 1
1 301 . 15 1 1 A 33 33 MET CB C 33 32.277 32.515 -0.238 1
1 311 . 15 1 1 A 33 33 MET C C 33 178.211 177.925 0.286 1
1 312 . 15 1 1 A 34 34 VAL N N 34 116.464 116.121 0.343 1
1 313 . 15 1 1 A 34 34 VAL H H 34 7.961 7.798 0.163 1
1 314 . 15 1 1 A 34 34 VAL CA C 34 63.927 65.183 -1.256 1
1 315 . 15 1 1 A 34 34 VAL HA H 34 3.845 3.876 -0.031 1
1 316 . 15 1 1 A 34 34 VAL CB C 34 30.987 31.260 -0.273 1
1 326 . 15 1 1 A 34 34 VAL C C 34 177.249 177.095 0.154 1
1 327 . 15 1 1 A 35 35 HIS N N 35 116.579 119.921 -3.342 1
1 328 . 15 1 1 A 35 35 HIS H H 35 7.050 7.898 -0.848 1
1 329 . 15 1 1 A 35 35 HIS CA C 35 55.032 58.480 -3.448 1
1 330 . 15 1 1 A 35 35 HIS HA H 35 4.866 4.440 0.426 1
1 331 . 15 1 1 A 35 35 HIS CB C 35 28.597 30.105 -1.508 1
1 338 . 15 1 1 A 35 35 HIS C C 35 175.442 175.783 -0.341 1
1 339 . 15 1 1 A 36 36 THR N N 36 113.320 113.158 0.162 1
1 340 . 15 1 1 A 36 36 THR H H 36 7.617 7.636 -0.019 1
1 341 . 15 1 1 A 36 36 THR CA C 36 62.572 63.150 -0.578 1
1 342 . 15 1 1 A 36 36 THR HA H 36 4.228 4.509 -0.281 1
1 343 . 15 1 1 A 36 36 THR CB C 36 69.623 70.985 -1.362 1
1 349 . 15 1 1 A 36 36 THR C C 36 174.335 174.513 -0.178 1
1 350 . 15 1 1 A 37 37 ALA N N 37 125.356 121.862 3.494 1
1 351 . 15 1 1 A 37 37 ALA H H 37 8.086 7.613 0.473 1
1 352 . 15 1 1 A 37 37 ALA CA C 37 52.577 51.637 0.940 1
1 353 . 15 1 1 A 37 37 ALA HA H 37 4.279 4.337 -0.058 1
1 354 . 15 1 1 A 37 37 ALA CB C 37 19.131 17.431 1.700 1
1 358 . 15 1 1 A 37 37 ALA C C 37 177.556 176.010 1.546 1
1 359 . 15 1 1 A 38 38 GLU N N 38 119.877 120.316 -0.439 1
1 360 . 15 1 1 A 38 38 GLU H H 38 8.105 8.247 -0.142 1
1 361 . 15 1 1 A 38 38 GLU CA C 38 56.451 54.829 1.622 1
1 362 . 15 1 1 A 38 38 GLU HA H 38 4.163 4.870 -0.707 1
1 363 . 15 1 1 A 38 38 GLU CB C 38 30.357 33.273 -2.916 1
1 369 . 15 1 1 A 38 38 GLU C C 38 176.160 175.478 0.682 1
1 370 . 15 1 1 A 39 39 LYS N N 39 123.534 122.243 1.291 1
1 371 . 15 1 1 A 39 39 LYS H H 39 8.259 8.557 -0.298 1
1 372 . 15 1 1 A 39 39 LYS CA C 39 54.110 53.606 0.504 1
1 373 . 15 1 1 A 39 39 LYS HA H 39 4.547 4.728 -0.181 1
1 374 . 15 1 1 A 39 39 LYS CB C 39 32.486 32.184 0.302 1
1 386 . 15 1 1 A 39 39 LYS C C 39 174.387 174.221 0.166 1
1 387 . 15 1 1 A 40 40 PRO CA C 40 63.170 62.337 0.833 1
1 388 . 15 1 1 A 40 40 PRO HA H 40 4.405 4.561 -0.156 1
1 389 . 15 1 1 A 40 40 PRO CB C 40 32.153 32.624 -0.471 1
1 398 . 15 1 1 A 41 41 SER N N 41 116.460 116.418 0.042 1
1 399 . 15 1 1 A 41 41 SER H H 41 8.499 8.764 -0.265 1
1 400 . 15 1 1 A 42 42 GLY CA C 42 44.629 45.248 -0.619 1
1 401 . 15 1 1 A 42 42 GLY HA2 H 42 4.100 4.045 0.055 1
1 402 . 15 1 1 A 42 42 GLY HA3 H 42 4.051 4.046 0.005 1
1 403 . 15 1 1 A 43 43 PRO CA C 43 63.255 63.840 -0.585 1
1 404 . 15 1 1 A 43 43 PRO HA H 43 4.417 4.529 -0.112 1
1 405 . 15 1 1 A 43 43 PRO CB C 43 32.137 31.890 0.247 1
1 414 . 15 1 1 A 44 44 SER N N 44 116.517 115.984 0.533 1
1 415 . 15 1 1 A 44 44 SER H H 44 8.453 8.505 -0.052 1
1 416 . 15 1 1 A 44 44 SER CB C 44 61.760 61.495 0.265 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.476 45.659 -0.183 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.020 4.198 -0.178 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.020 4.199 -0.179 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.552 172.532 2.020 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.807 114.992 -2.185 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.124 8.442 -0.318 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.837 60.673 1.164 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.310 5.124 -0.814 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.739 70.199 -0.460 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.300 174.505 0.795 1
1 16 . 16 1 1 A 9 9 GLY N N 9 111.107 110.407 0.700 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.427 8.610 -0.183 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.215 45.759 -0.544 1
1 19 . 16 1 1 A 9 9 GLY HA2 H 9 3.908 4.205 -0.297 1
1 20 . 16 1 1 A 9 9 GLY HA3 H 9 3.908 4.205 -0.297 1
1 21 . 16 1 1 A 9 9 GLY C C 9 174.012 173.523 0.489 1
1 22 . 16 1 1 A 10 10 GLU N N 10 120.447 118.422 2.025 1
1 23 . 16 1 1 A 10 10 GLU H H 10 8.157 7.766 0.391 1
1 24 . 16 1 1 A 10 10 GLU CA C 10 56.427 55.005 1.422 1
1 25 . 16 1 1 A 10 10 GLU HA H 10 4.192 4.438 -0.246 1
1 26 . 16 1 1 A 10 10 GLU CB C 10 30.579 30.422 0.157 1
1 32 . 16 1 1 A 10 10 GLU C C 10 176.190 176.185 0.005 1
1 33 . 16 1 1 A 11 11 LYS N N 11 123.159 120.298 2.861 1
1 34 . 16 1 1 A 11 11 LYS H H 11 8.316 8.544 -0.228 1
1 35 . 16 1 1 A 11 11 LYS CA C 11 54.101 53.980 0.121 1
1 36 . 16 1 1 A 11 11 LYS HA H 11 4.442 4.665 -0.223 1
1 37 . 16 1 1 A 11 11 LYS CB C 11 32.610 32.606 0.004 1
1 49 . 16 1 1 A 11 11 LYS C C 11 174.187 176.403 -2.216 1
1 50 . 16 1 1 A 12 12 PRO CA C 12 63.210 63.889 -0.679 1
1 51 . 16 1 1 A 12 12 PRO HA H 12 4.407 4.302 0.105 1
1 52 . 16 1 1 A 12 12 PRO CB C 12 32.232 31.237 0.995 1
1 61 . 16 1 1 A 12 12 PRO C C 12 176.447 175.693 0.754 1
1 62 . 16 1 1 A 13 13 PHE N N 13 119.708 118.529 1.179 1
1 63 . 16 1 1 A 13 13 PHE H H 13 8.425 7.590 0.835 1
1 64 . 16 1 1 A 13 13 PHE CA C 13 57.386 56.478 0.908 1
1 65 . 16 1 1 A 13 13 PHE HA H 13 4.561 5.307 -0.746 1
1 66 . 16 1 1 A 13 13 PHE CB C 13 40.677 44.254 -3.577 1
1 79 . 16 1 1 A 13 13 PHE C C 13 174.289 174.288 0.001 1
1 80 . 16 1 1 A 14 14 LYS N N 14 124.280 120.335 3.945 1
1 81 . 16 1 1 A 14 14 LYS H H 14 8.599 8.819 -0.220 1
1 82 . 16 1 1 A 14 14 LYS CA C 14 55.128 55.907 -0.779 1
1 83 . 16 1 1 A 14 14 LYS HA H 14 4.876 4.831 0.045 1
1 84 . 16 1 1 A 14 14 LYS CB C 14 35.217 36.751 -1.534 1
1 96 . 16 1 1 A 14 14 LYS C C 14 175.445 174.238 1.207 1
1 97 . 16 1 1 A 15 15 CYS N N 15 126.829 123.709 3.120 1
1 98 . 16 1 1 A 15 15 CYS H H 15 9.153 9.441 -0.288 1
1 99 . 16 1 1 A 15 15 CYS CA C 15 59.229 58.651 0.578 1
1 100 . 16 1 1 A 15 15 CYS HA H 15 4.498 4.790 -0.292 1
1 101 . 16 1 1 A 15 15 CYS CB C 15 29.719 29.569 0.150 1
1 104 . 16 1 1 A 15 15 CYS C C 15 176.812 174.542 2.270 1
1 105 . 16 1 1 A 16 16 ASP N N 16 131.329 123.296 8.033 1
1 106 . 16 1 1 A 16 16 ASP H H 16 9.242 8.998 0.244 1
1 107 . 16 1 1 A 16 16 ASP CA C 16 56.451 54.931 1.520 1
1 108 . 16 1 1 A 16 16 ASP HA H 16 4.402 4.912 -0.510 1
1 109 . 16 1 1 A 16 16 ASP CB C 16 40.727 42.514 -1.787 1
1 112 . 16 1 1 A 16 16 ASP C C 16 176.032 176.790 -0.758 1
1 113 . 16 1 1 A 17 17 ILE N N 17 121.275 117.759 3.516 1
1 114 . 16 1 1 A 17 17 ILE H H 17 8.635 7.678 0.957 1
1 115 . 16 1 1 A 17 17 ILE CA C 17 63.212 63.670 -0.458 1
1 116 . 16 1 1 A 17 17 ILE HA H 17 3.821 3.818 0.003 1
1 117 . 16 1 1 A 17 17 ILE CB C 17 38.137 38.186 -0.049 1
1 130 . 16 1 1 A 17 17 ILE C C 17 177.086 177.631 -0.545 1
1 131 . 16 1 1 A 18 18 CYS N N 18 115.895 115.100 0.795 1
1 132 . 16 1 1 A 18 18 CYS H H 18 8.067 7.908 0.159 1
1 133 . 16 1 1 A 18 18 CYS CA C 18 58.167 58.584 -0.417 1
1 134 . 16 1 1 A 18 18 CYS HA H 18 5.107 4.686 0.421 1
1 135 . 16 1 1 A 18 18 CYS CB C 18 32.381 29.699 2.682 1
1 138 . 16 1 1 A 18 18 CYS C C 18 176.599 176.257 0.342 1
1 139 . 16 1 1 A 19 19 GLY N N 19 113.203 111.259 1.944 1
1 140 . 16 1 1 A 19 19 GLY H H 19 8.004 8.132 -0.128 1
1 141 . 16 1 1 A 19 19 GLY CA C 19 46.439 45.879 0.560 1
1 142 . 16 1 1 A 19 19 GLY HA2 H 19 3.769 3.991 -0.222 1
1 143 . 16 1 1 A 19 19 GLY HA3 H 19 4.167 4.009 0.158 1
1 144 . 16 1 1 A 19 19 GLY C C 19 173.734 174.543 -0.809 1
1 145 . 16 1 1 A 20 20 LYS N N 20 122.356 121.268 1.088 1
1 146 . 16 1 1 A 20 20 LYS H H 20 7.822 7.431 0.391 1
1 147 . 16 1 1 A 20 20 LYS CA C 20 57.737 57.038 0.699 1
1 148 . 16 1 1 A 20 20 LYS HA H 20 4.045 4.223 -0.178 1
1 149 . 16 1 1 A 20 20 LYS CB C 20 33.982 33.648 0.334 1
1 161 . 16 1 1 A 20 20 LYS C C 20 174.356 176.622 -2.266 1
1 162 . 16 1 1 A 21 21 SER N N 21 114.802 117.349 -2.547 1
1 163 . 16 1 1 A 21 21 SER H H 21 7.870 8.245 -0.375 1
1 164 . 16 1 1 A 21 21 SER CA C 21 57.281 56.440 0.841 1
1 165 . 16 1 1 A 21 21 SER HA H 21 5.187 5.505 -0.318 1
1 166 . 16 1 1 A 21 21 SER CB C 21 65.661 65.612 0.049 1
1 169 . 16 1 1 A 21 21 SER C C 21 173.041 173.964 -0.923 1
1 170 . 16 1 1 A 22 22 PHE N N 22 118.519 117.933 0.586 1
1 171 . 16 1 1 A 22 22 PHE H H 22 8.795 8.916 -0.121 1
1 172 . 16 1 1 A 22 22 PHE CA C 22 58.014 56.475 1.539 1
1 173 . 16 1 1 A 22 22 PHE HA H 22 3.364 4.969 -1.605 1
1 174 . 16 1 1 A 22 22 PHE CB C 22 44.178 41.780 2.398 1
1 187 . 16 1 1 A 22 22 PHE C C 22 175.163 175.883 -0.720 1
1 188 . 16 1 1 A 23 23 CYS CA C 23 59.537 61.723 -2.186 1
1 189 . 16 1 1 A 23 23 CYS HA H 23 4.584 4.361 0.223 1
1 190 . 16 1 1 A 23 23 CYS CB C 23 27.668 27.579 0.089 1
1 193 . 16 1 1 A 23 23 CYS C C 23 174.498 175.175 -0.677 1
1 194 . 16 1 1 A 24 24 GLY N N 24 110.238 108.441 1.797 1
1 195 . 16 1 1 A 24 24 GLY H H 24 7.698 8.047 -0.349 1
1 196 . 16 1 1 A 24 24 GLY CA C 24 44.739 44.668 0.071 1
1 197 . 16 1 1 A 24 24 GLY HA2 H 24 4.165 4.215 -0.050 1
1 198 . 16 1 1 A 24 24 GLY HA3 H 24 3.964 4.216 -0.252 1
1 199 . 16 1 1 A 24 24 GLY C C 24 172.746 174.263 -1.517 1
1 200 . 16 1 1 A 25 25 ARG N N 25 123.007 125.397 -2.390 1
1 201 . 16 1 1 A 25 25 ARG H H 25 8.249 7.622 0.627 1
1 202 . 16 1 1 A 25 25 ARG CA C 25 58.734 58.890 -0.156 1
1 203 . 16 1 1 A 25 25 ARG HA H 25 3.118 3.313 -0.195 1
1 204 . 16 1 1 A 25 25 ARG CB C 25 29.705 29.453 0.252 1
1 213 . 16 1 1 A 25 25 ARG C C 25 178.108 177.510 0.598 1
1 214 . 16 1 1 A 26 26 SER CA C 26 61.773 61.220 0.553 1
1 215 . 16 1 1 A 26 26 SER HA H 26 3.836 4.014 -0.178 1
1 216 . 16 1 1 A 26 26 SER CB C 26 61.872 62.916 -1.044 1
1 219 . 16 1 1 A 26 26 SER C C 26 177.394 176.842 0.552 1
1 220 . 16 1 1 A 27 27 ARG N N 27 121.358 120.753 0.605 1
1 221 . 16 1 1 A 27 27 ARG H H 27 7.581 7.714 -0.133 1
1 222 . 16 1 1 A 27 27 ARG CA C 27 58.837 58.236 0.601 1
1 223 . 16 1 1 A 27 27 ARG HA H 27 3.924 4.141 -0.217 1
1 224 . 16 1 1 A 27 27 ARG CB C 27 29.724 30.544 -0.820 1
1 233 . 16 1 1 A 27 27 ARG C C 27 179.126 178.039 1.087 1
1 234 . 16 1 1 A 28 28 LEU N N 28 121.828 120.363 1.465 1
1 235 . 16 1 1 A 28 28 LEU H H 28 7.259 7.517 -0.258 1
1 236 . 16 1 1 A 28 28 LEU CA C 28 57.978 57.917 0.061 1
1 237 . 16 1 1 A 28 28 LEU HA H 28 3.366 2.397 0.969 1
1 238 . 16 1 1 A 28 28 LEU CB C 28 40.695 41.199 -0.504 1
1 251 . 16 1 1 A 28 28 LEU C C 28 177.702 177.912 -0.210 1
1 252 . 16 1 1 A 29 29 ASN N N 29 118.482 115.764 2.718 1
1 253 . 16 1 1 A 29 29 ASN H H 29 8.579 8.449 0.130 1
1 254 . 16 1 1 A 29 29 ASN CA C 29 56.000 56.434 -0.434 1
1 255 . 16 1 1 A 29 29 ASN HA H 29 4.264 4.261 0.003 1
1 256 . 16 1 1 A 29 29 ASN CB C 29 37.394 37.819 -0.425 1
1 262 . 16 1 1 A 29 29 ASN C C 29 178.386 178.322 0.064 1
1 263 . 16 1 1 A 30 30 ARG N N 30 119.681 118.582 1.099 1
1 264 . 16 1 1 A 30 30 ARG H H 30 7.752 8.105 -0.353 1
1 265 . 16 1 1 A 30 30 ARG CA C 30 58.915 59.624 -0.709 1
1 266 . 16 1 1 A 30 30 ARG HA H 30 4.000 3.972 0.028 1
1 267 . 16 1 1 A 30 30 ARG CB C 30 29.883 29.625 0.258 1
1 276 . 16 1 1 A 30 30 ARG C C 30 178.773 179.212 -0.439 1
1 277 . 16 1 1 A 31 31 HIS N N 31 119.307 120.401 -1.094 1
1 278 . 16 1 1 A 31 31 HIS H H 31 7.577 8.067 -0.490 1
1 279 . 16 1 1 A 31 31 HIS CA C 31 58.939 59.882 -0.943 1
1 280 . 16 1 1 A 31 31 HIS HA H 31 4.111 4.230 -0.119 1
1 281 . 16 1 1 A 31 31 HIS CB C 31 27.639 29.210 -1.571 1
1 288 . 16 1 1 A 31 31 HIS C C 31 176.358 177.899 -1.541 1
1 289 . 16 1 1 A 32 32 SER N N 32 113.043 113.522 -0.479 1
1 290 . 16 1 1 A 32 32 SER H H 32 8.442 8.332 0.110 1
1 291 . 16 1 1 A 32 32 SER CA C 32 62.184 60.946 1.238 1
1 292 . 16 1 1 A 32 32 SER HA H 32 3.814 4.225 -0.411 1
1 293 . 16 1 1 A 32 32 SER CB C 32 63.027 63.008 0.019 1
1 296 . 16 1 1 A 32 32 SER C C 32 175.520 175.620 -0.100 1
1 297 . 16 1 1 A 33 33 MET N N 33 118.839 119.082 -0.243 1
1 298 . 16 1 1 A 33 33 MET H H 33 7.002 7.886 -0.884 1
1 299 . 16 1 1 A 33 33 MET CA C 33 57.473 57.571 -0.098 1
1 300 . 16 1 1 A 33 33 MET HA H 33 4.176 4.476 -0.300 1
1 301 . 16 1 1 A 33 33 MET CB C 33 32.277 32.564 -0.287 1
1 311 . 16 1 1 A 33 33 MET C C 33 178.211 177.918 0.293 1
1 312 . 16 1 1 A 34 34 VAL N N 34 116.464 116.147 0.317 1
1 313 . 16 1 1 A 34 34 VAL H H 34 7.961 7.639 0.322 1
1 314 . 16 1 1 A 34 34 VAL CA C 34 63.927 65.529 -1.602 1
1 315 . 16 1 1 A 34 34 VAL HA H 34 3.845 3.857 -0.012 1
1 316 . 16 1 1 A 34 34 VAL CB C 34 30.987 31.042 -0.055 1
1 326 . 16 1 1 A 34 34 VAL C C 34 177.249 177.619 -0.370 1
1 327 . 16 1 1 A 35 35 HIS N N 35 116.579 120.157 -3.578 1
1 328 . 16 1 1 A 35 35 HIS H H 35 7.050 7.904 -0.854 1
1 329 . 16 1 1 A 35 35 HIS CA C 35 55.032 59.546 -4.514 1
1 330 . 16 1 1 A 35 35 HIS HA H 35 4.866 4.264 0.602 1
1 331 . 16 1 1 A 35 35 HIS CB C 35 28.597 30.383 -1.786 1
1 338 . 16 1 1 A 35 35 HIS C C 35 175.442 176.001 -0.559 1
1 339 . 16 1 1 A 36 36 THR N N 36 113.320 113.146 0.174 1
1 340 . 16 1 1 A 36 36 THR H H 36 7.617 7.503 0.114 1
1 341 . 16 1 1 A 36 36 THR CA C 36 62.572 63.485 -0.913 1
1 342 . 16 1 1 A 36 36 THR HA H 36 4.228 4.420 -0.192 1
1 343 . 16 1 1 A 36 36 THR CB C 36 69.623 70.433 -0.810 1
1 349 . 16 1 1 A 36 36 THR C C 36 174.335 174.563 -0.228 1
1 350 . 16 1 1 A 37 37 ALA N N 37 125.356 122.170 3.186 1
1 351 . 16 1 1 A 37 37 ALA H H 37 8.086 7.548 0.538 1
1 352 . 16 1 1 A 37 37 ALA CA C 37 52.577 51.477 1.100 1
1 353 . 16 1 1 A 37 37 ALA HA H 37 4.279 4.357 -0.078 1
1 354 . 16 1 1 A 37 37 ALA CB C 37 19.131 17.823 1.308 1
1 358 . 16 1 1 A 37 37 ALA C C 37 177.556 176.243 1.313 1
1 359 . 16 1 1 A 38 38 GLU N N 38 119.877 119.896 -0.019 1
1 360 . 16 1 1 A 38 38 GLU H H 38 8.105 7.997 0.108 1
1 361 . 16 1 1 A 38 38 GLU CA C 38 56.451 55.285 1.166 1
1 362 . 16 1 1 A 38 38 GLU HA H 38 4.163 5.077 -0.914 1
1 363 . 16 1 1 A 38 38 GLU CB C 38 30.357 30.855 -0.498 1
1 369 . 16 1 1 A 38 38 GLU C C 38 176.160 175.496 0.664 1
1 370 . 16 1 1 A 39 39 LYS N N 39 123.534 125.850 -2.316 1
1 371 . 16 1 1 A 39 39 LYS H H 39 8.259 8.723 -0.464 1
1 372 . 16 1 1 A 39 39 LYS CA C 39 54.110 53.338 0.772 1
1 373 . 16 1 1 A 39 39 LYS HA H 39 4.547 4.650 -0.103 1
1 374 . 16 1 1 A 39 39 LYS CB C 39 32.486 32.055 0.431 1
1 386 . 16 1 1 A 39 39 LYS C C 39 174.387 176.327 -1.940 1
1 387 . 16 1 1 A 40 40 PRO CA C 40 63.170 63.931 -0.761 1
1 388 . 16 1 1 A 40 40 PRO HA H 40 4.405 4.450 -0.045 1
1 389 . 16 1 1 A 40 40 PRO CB C 40 32.153 31.673 0.480 1
1 398 . 16 1 1 A 41 41 SER N N 41 116.460 114.067 2.393 1
1 399 . 16 1 1 A 41 41 SER H H 41 8.499 7.550 0.949 1
1 400 . 16 1 1 A 42 42 GLY CA C 42 44.629 45.266 -0.637 1
1 401 . 16 1 1 A 42 42 GLY HA2 H 42 4.100 4.168 -0.068 1
1 402 . 16 1 1 A 42 42 GLY HA3 H 42 4.051 4.168 -0.117 1
1 403 . 16 1 1 A 43 43 PRO CA C 43 63.255 62.686 0.569 1
1 404 . 16 1 1 A 43 43 PRO HA H 43 4.417 4.670 -0.253 1
1 405 . 16 1 1 A 43 43 PRO CB C 43 32.137 33.499 -1.362 1
1 414 . 16 1 1 A 44 44 SER N N 44 116.517 113.805 2.712 1
1 415 . 16 1 1 A 44 44 SER H H 44 8.453 8.445 0.008 1
1 416 . 16 1 1 A 44 44 SER CB C 44 61.760 65.916 -4.156 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.476 47.122 -1.646 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.020 3.855 0.165 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.020 3.856 0.164 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.552 173.959 0.593 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.807 118.795 -5.988 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.124 8.112 0.012 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.837 61.716 0.121 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.310 4.603 -0.293 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.739 69.483 0.256 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.300 174.704 0.596 1
1 16 . 17 1 1 A 9 9 GLY N N 9 111.107 114.448 -3.341 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.427 8.526 -0.099 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.215 44.276 0.939 1
1 19 . 17 1 1 A 9 9 GLY HA2 H 9 3.908 4.119 -0.211 1
1 20 . 17 1 1 A 9 9 GLY HA3 H 9 3.908 4.120 -0.212 1
1 21 . 17 1 1 A 9 9 GLY C C 9 174.012 173.363 0.649 1
1 22 . 17 1 1 A 10 10 GLU N N 10 120.447 119.616 0.831 1
1 23 . 17 1 1 A 10 10 GLU H H 10 8.157 8.433 -0.276 1
1 24 . 17 1 1 A 10 10 GLU CA C 10 56.427 54.292 2.135 1
1 25 . 17 1 1 A 10 10 GLU HA H 10 4.192 4.953 -0.761 1
1 26 . 17 1 1 A 10 10 GLU CB C 10 30.579 33.828 -3.249 1
1 32 . 17 1 1 A 10 10 GLU C C 10 176.190 176.189 0.001 1
1 33 . 17 1 1 A 11 11 LYS N N 11 123.159 120.976 2.183 1
1 34 . 17 1 1 A 11 11 LYS H H 11 8.316 8.460 -0.144 1
1 35 . 17 1 1 A 11 11 LYS CA C 11 54.101 55.219 -1.118 1
1 36 . 17 1 1 A 11 11 LYS HA H 11 4.442 4.343 0.099 1
1 37 . 17 1 1 A 11 11 LYS CB C 11 32.610 31.953 0.657 1
1 49 . 17 1 1 A 11 11 LYS C C 11 174.187 176.585 -2.398 1
1 50 . 17 1 1 A 12 12 PRO CA C 12 63.210 63.883 -0.673 1
1 51 . 17 1 1 A 12 12 PRO HA H 12 4.407 4.309 0.098 1
1 52 . 17 1 1 A 12 12 PRO CB C 12 32.232 31.284 0.948 1
1 61 . 17 1 1 A 12 12 PRO C C 12 176.447 175.669 0.778 1
1 62 . 17 1 1 A 13 13 PHE N N 13 119.708 118.492 1.216 1
1 63 . 17 1 1 A 13 13 PHE H H 13 8.425 7.592 0.833 1
1 64 . 17 1 1 A 13 13 PHE CA C 13 57.386 56.493 0.893 1
1 65 . 17 1 1 A 13 13 PHE HA H 13 4.561 5.309 -0.748 1
1 66 . 17 1 1 A 13 13 PHE CB C 13 40.677 44.257 -3.580 1
1 79 . 17 1 1 A 13 13 PHE C C 13 174.289 174.239 0.050 1
1 80 . 17 1 1 A 14 14 LYS N N 14 124.280 120.288 3.992 1
1 81 . 17 1 1 A 14 14 LYS H H 14 8.599 8.821 -0.222 1
1 82 . 17 1 1 A 14 14 LYS CA C 14 55.128 55.948 -0.820 1
1 83 . 17 1 1 A 14 14 LYS HA H 14 4.876 4.822 0.054 1
1 84 . 17 1 1 A 14 14 LYS CB C 14 35.217 36.737 -1.520 1
1 96 . 17 1 1 A 14 14 LYS C C 14 175.445 174.226 1.219 1
1 97 . 17 1 1 A 15 15 CYS N N 15 126.829 123.744 3.085 1
1 98 . 17 1 1 A 15 15 CYS H H 15 9.153 9.397 -0.244 1
1 99 . 17 1 1 A 15 15 CYS CA C 15 59.229 58.664 0.565 1
1 100 . 17 1 1 A 15 15 CYS HA H 15 4.498 4.769 -0.271 1
1 101 . 17 1 1 A 15 15 CYS CB C 15 29.719 29.454 0.265 1
1 104 . 17 1 1 A 15 15 CYS C C 15 176.812 174.501 2.311 1
1 105 . 17 1 1 A 16 16 ASP N N 16 131.329 123.300 8.029 1
1 106 . 17 1 1 A 16 16 ASP H H 16 9.242 8.932 0.310 1
1 107 . 17 1 1 A 16 16 ASP CA C 16 56.451 54.880 1.571 1
1 108 . 17 1 1 A 16 16 ASP HA H 16 4.402 4.845 -0.443 1
1 109 . 17 1 1 A 16 16 ASP CB C 16 40.727 42.249 -1.522 1
1 112 . 17 1 1 A 16 16 ASP C C 16 176.032 176.946 -0.914 1
1 113 . 17 1 1 A 17 17 ILE N N 17 121.275 118.534 2.741 1
1 114 . 17 1 1 A 17 17 ILE H H 17 8.635 7.673 0.962 1
1 115 . 17 1 1 A 17 17 ILE CA C 17 63.212 63.792 -0.580 1
1 116 . 17 1 1 A 17 17 ILE HA H 17 3.821 3.798 0.023 1
1 117 . 17 1 1 A 17 17 ILE CB C 17 38.137 38.066 0.071 1
1 130 . 17 1 1 A 17 17 ILE C C 17 177.086 177.652 -0.566 1
1 131 . 17 1 1 A 18 18 CYS N N 18 115.895 115.066 0.829 1
1 132 . 17 1 1 A 18 18 CYS H H 18 8.067 7.868 0.199 1
1 133 . 17 1 1 A 18 18 CYS CA C 18 58.167 58.580 -0.413 1
1 134 . 17 1 1 A 18 18 CYS HA H 18 5.107 4.681 0.426 1
1 135 . 17 1 1 A 18 18 CYS CB C 18 32.381 29.725 2.656 1
1 138 . 17 1 1 A 18 18 CYS C C 18 176.599 176.244 0.355 1
1 139 . 17 1 1 A 19 19 GLY N N 19 113.203 111.260 1.943 1
1 140 . 17 1 1 A 19 19 GLY H H 19 8.004 8.126 -0.122 1
1 141 . 17 1 1 A 19 19 GLY CA C 19 46.439 45.877 0.562 1
1 142 . 17 1 1 A 19 19 GLY HA2 H 19 3.769 3.989 -0.220 1
1 143 . 17 1 1 A 19 19 GLY HA3 H 19 4.167 4.007 0.160 1
1 144 . 17 1 1 A 19 19 GLY C C 19 173.734 174.543 -0.809 1
1 145 . 17 1 1 A 20 20 LYS N N 20 122.356 121.304 1.052 1
1 146 . 17 1 1 A 20 20 LYS H H 20 7.822 7.425 0.397 1
1 147 . 17 1 1 A 20 20 LYS CA C 20 57.737 57.043 0.694 1
1 148 . 17 1 1 A 20 20 LYS HA H 20 4.045 4.225 -0.180 1
1 149 . 17 1 1 A 20 20 LYS CB C 20 33.982 33.667 0.315 1
1 161 . 17 1 1 A 20 20 LYS C C 20 174.356 176.796 -2.440 1
1 162 . 17 1 1 A 21 21 SER N N 21 114.802 117.618 -2.816 1
1 163 . 17 1 1 A 21 21 SER H H 21 7.870 8.272 -0.402 1
1 164 . 17 1 1 A 21 21 SER CA C 21 57.281 56.657 0.624 1
1 165 . 17 1 1 A 21 21 SER HA H 21 5.187 5.370 -0.183 1
1 166 . 17 1 1 A 21 21 SER CB C 21 65.661 65.460 0.201 1
1 169 . 17 1 1 A 21 21 SER C C 21 173.041 174.056 -1.015 1
1 170 . 17 1 1 A 22 22 PHE N N 22 118.519 118.161 0.358 1
1 171 . 17 1 1 A 22 22 PHE H H 22 8.795 8.922 -0.127 1
1 172 . 17 1 1 A 22 22 PHE CA C 22 58.014 56.397 1.617 1
1 173 . 17 1 1 A 22 22 PHE HA H 22 3.364 4.978 -1.614 1
1 174 . 17 1 1 A 22 22 PHE CB C 22 44.178 41.337 2.841 1
1 187 . 17 1 1 A 22 22 PHE C C 22 175.163 175.900 -0.737 1
1 188 . 17 1 1 A 23 23 CYS CA C 23 59.537 61.516 -1.979 1
1 189 . 17 1 1 A 23 23 CYS HA H 23 4.584 4.366 0.218 1
1 190 . 17 1 1 A 23 23 CYS CB C 23 27.668 27.500 0.168 1
1 193 . 17 1 1 A 23 23 CYS C C 23 174.498 175.217 -0.719 1
1 194 . 17 1 1 A 24 24 GLY N N 24 110.238 108.699 1.539 1
1 195 . 17 1 1 A 24 24 GLY H H 24 7.698 7.925 -0.227 1
1 196 . 17 1 1 A 24 24 GLY CA C 24 44.739 44.666 0.073 1
1 197 . 17 1 1 A 24 24 GLY HA2 H 24 4.165 4.187 -0.022 1
1 198 . 17 1 1 A 24 24 GLY HA3 H 24 3.964 4.189 -0.225 1
1 199 . 17 1 1 A 24 24 GLY C C 24 172.746 174.150 -1.404 1
1 200 . 17 1 1 A 25 25 ARG N N 25 123.007 124.626 -1.619 1
1 201 . 17 1 1 A 25 25 ARG H H 25 8.249 7.463 0.786 1
1 202 . 17 1 1 A 25 25 ARG CA C 25 58.734 58.901 -0.167 1
1 203 . 17 1 1 A 25 25 ARG HA H 25 3.118 3.277 -0.159 1
1 204 . 17 1 1 A 25 25 ARG CB C 25 29.705 29.385 0.320 1
1 213 . 17 1 1 A 25 25 ARG C C 25 178.108 177.574 0.534 1
1 214 . 17 1 1 A 26 26 SER CA C 26 61.773 61.200 0.573 1
1 215 . 17 1 1 A 26 26 SER HA H 26 3.836 4.030 -0.194 1
1 216 . 17 1 1 A 26 26 SER CB C 26 61.872 63.033 -1.161 1
1 219 . 17 1 1 A 26 26 SER C C 26 177.394 176.650 0.744 1
1 220 . 17 1 1 A 27 27 ARG N N 27 121.358 121.423 -0.065 1
1 221 . 17 1 1 A 27 27 ARG H H 27 7.581 8.147 -0.566 1
1 222 . 17 1 1 A 27 27 ARG CA C 27 58.837 58.987 -0.150 1
1 223 . 17 1 1 A 27 27 ARG HA H 27 3.924 4.141 -0.217 1
1 224 . 17 1 1 A 27 27 ARG CB C 27 29.724 30.658 -0.934 1
1 233 . 17 1 1 A 27 27 ARG C C 27 179.126 178.161 0.965 1
1 234 . 17 1 1 A 28 28 LEU N N 28 121.828 121.224 0.604 1
1 235 . 17 1 1 A 28 28 LEU H H 28 7.259 7.417 -0.158 1
1 236 . 17 1 1 A 28 28 LEU CA C 28 57.978 57.891 0.087 1
1 237 . 17 1 1 A 28 28 LEU HA H 28 3.366 2.361 1.005 1
1 238 . 17 1 1 A 28 28 LEU CB C 28 40.695 41.198 -0.503 1
1 251 . 17 1 1 A 28 28 LEU C C 28 177.702 177.970 -0.268 1
1 252 . 17 1 1 A 29 29 ASN N N 29 118.482 115.872 2.610 1
1 253 . 17 1 1 A 29 29 ASN H H 29 8.579 8.500 0.079 1
1 254 . 17 1 1 A 29 29 ASN CA C 29 56.000 56.280 -0.280 1
1 255 . 17 1 1 A 29 29 ASN HA H 29 4.264 4.277 -0.013 1
1 256 . 17 1 1 A 29 29 ASN CB C 29 37.394 37.814 -0.420 1
1 262 . 17 1 1 A 29 29 ASN C C 29 178.386 178.326 0.060 1
1 263 . 17 1 1 A 30 30 ARG N N 30 119.681 118.595 1.086 1
1 264 . 17 1 1 A 30 30 ARG H H 30 7.752 8.122 -0.370 1
1 265 . 17 1 1 A 30 30 ARG CA C 30 58.915 59.627 -0.712 1
1 266 . 17 1 1 A 30 30 ARG HA H 30 4.000 3.975 0.025 1
1 267 . 17 1 1 A 30 30 ARG CB C 30 29.883 29.742 0.141 1
1 276 . 17 1 1 A 30 30 ARG C C 30 178.773 179.143 -0.370 1
1 277 . 17 1 1 A 31 31 HIS N N 31 119.307 120.333 -1.026 1
1 278 . 17 1 1 A 31 31 HIS H H 31 7.577 8.022 -0.445 1
1 279 . 17 1 1 A 31 31 HIS CA C 31 58.939 59.644 -0.705 1
1 280 . 17 1 1 A 31 31 HIS HA H 31 4.111 4.288 -0.177 1
1 281 . 17 1 1 A 31 31 HIS CB C 31 27.639 29.219 -1.580 1
1 288 . 17 1 1 A 31 31 HIS C C 31 176.358 177.819 -1.461 1
1 289 . 17 1 1 A 32 32 SER N N 32 113.043 114.103 -1.060 1
1 290 . 17 1 1 A 32 32 SER H H 32 8.442 8.420 0.022 1
1 291 . 17 1 1 A 32 32 SER CA C 32 62.184 60.888 1.296 1
1 292 . 17 1 1 A 32 32 SER HA H 32 3.814 4.222 -0.408 1
1 293 . 17 1 1 A 32 32 SER CB C 32 63.027 63.038 -0.011 1
1 296 . 17 1 1 A 32 32 SER C C 32 175.520 175.737 -0.217 1
1 297 . 17 1 1 A 33 33 MET N N 33 118.839 118.901 -0.062 1
1 298 . 17 1 1 A 33 33 MET H H 33 7.002 7.725 -0.723 1
1 299 . 17 1 1 A 33 33 MET CA C 33 57.473 56.947 0.526 1
1 300 . 17 1 1 A 33 33 MET HA H 33 4.176 4.506 -0.330 1
1 301 . 17 1 1 A 33 33 MET CB C 33 32.277 32.386 -0.109 1
1 311 . 17 1 1 A 33 33 MET C C 33 178.211 177.654 0.557 1
1 312 . 17 1 1 A 34 34 VAL N N 34 116.464 115.960 0.504 1
1 313 . 17 1 1 A 34 34 VAL H H 34 7.961 8.009 -0.048 1
1 314 . 17 1 1 A 34 34 VAL CA C 34 63.927 65.027 -1.100 1
1 315 . 17 1 1 A 34 34 VAL HA H 34 3.845 3.882 -0.037 1
1 316 . 17 1 1 A 34 34 VAL CB C 34 30.987 31.093 -0.106 1
1 326 . 17 1 1 A 34 34 VAL C C 34 177.249 176.922 0.327 1
1 327 . 17 1 1 A 35 35 HIS N N 35 116.579 119.480 -2.901 1
1 328 . 17 1 1 A 35 35 HIS H H 35 7.050 7.812 -0.762 1
1 329 . 17 1 1 A 35 35 HIS CA C 35 55.032 58.151 -3.119 1
1 330 . 17 1 1 A 35 35 HIS HA H 35 4.866 4.495 0.371 1
1 331 . 17 1 1 A 35 35 HIS CB C 35 28.597 30.290 -1.693 1
1 338 . 17 1 1 A 35 35 HIS C C 35 175.442 175.267 0.175 1
1 339 . 17 1 1 A 36 36 THR N N 36 113.320 113.469 -0.149 1
1 340 . 17 1 1 A 36 36 THR H H 36 7.617 7.692 -0.075 1
1 341 . 17 1 1 A 36 36 THR CA C 36 62.572 61.005 1.567 1
1 342 . 17 1 1 A 36 36 THR HA H 36 4.228 4.498 -0.270 1
1 343 . 17 1 1 A 36 36 THR CB C 36 69.623 69.449 0.174 1
1 349 . 17 1 1 A 36 36 THR C C 36 174.335 175.273 -0.938 1
1 350 . 17 1 1 A 37 37 ALA N N 37 125.356 125.113 0.243 1
1 351 . 17 1 1 A 37 37 ALA H H 37 8.086 7.946 0.140 1
1 352 . 17 1 1 A 37 37 ALA CA C 37 52.577 51.322 1.255 1
1 353 . 17 1 1 A 37 37 ALA HA H 37 4.279 4.448 -0.169 1
1 354 . 17 1 1 A 37 37 ALA CB C 37 19.131 19.253 -0.122 1
1 358 . 17 1 1 A 37 37 ALA C C 37 177.556 176.317 1.239 1
1 359 . 17 1 1 A 38 38 GLU N N 38 119.877 115.469 4.408 1
1 360 . 17 1 1 A 38 38 GLU H H 38 8.105 7.713 0.392 1
1 361 . 17 1 1 A 38 38 GLU CA C 38 56.451 54.699 1.752 1
1 362 . 17 1 1 A 38 38 GLU HA H 38 4.163 4.937 -0.774 1
1 363 . 17 1 1 A 38 38 GLU CB C 38 30.357 32.840 -2.483 1
1 369 . 17 1 1 A 38 38 GLU C C 38 176.160 175.457 0.703 1
1 370 . 17 1 1 A 39 39 LYS N N 39 123.534 121.262 2.272 1
1 371 . 17 1 1 A 39 39 LYS H H 39 8.259 8.347 -0.088 1
1 372 . 17 1 1 A 39 39 LYS CA C 39 54.110 55.395 -1.285 1
1 373 . 17 1 1 A 39 39 LYS HA H 39 4.547 4.268 0.279 1
1 374 . 17 1 1 A 39 39 LYS CB C 39 32.486 32.501 -0.015 1
1 386 . 17 1 1 A 39 39 LYS C C 39 174.387 175.914 -1.527 1
1 387 . 17 1 1 A 40 40 PRO CA C 40 63.170 62.342 0.828 1
1 388 . 17 1 1 A 40 40 PRO HA H 40 4.405 4.625 -0.220 1
1 389 . 17 1 1 A 40 40 PRO CB C 40 32.153 30.407 1.746 1
1 398 . 17 1 1 A 41 41 SER N N 41 116.460 117.699 -1.239 1
1 399 . 17 1 1 A 41 41 SER H H 41 8.499 8.395 0.104 1
1 400 . 17 1 1 A 42 42 GLY CA C 42 44.629 45.596 -0.967 1
1 401 . 17 1 1 A 42 42 GLY HA2 H 42 4.100 4.064 0.036 1
1 402 . 17 1 1 A 42 42 GLY HA3 H 42 4.051 4.065 -0.014 1
1 403 . 17 1 1 A 43 43 PRO CA C 43 63.255 62.367 0.888 1
1 404 . 17 1 1 A 43 43 PRO HA H 43 4.417 4.709 -0.292 1
1 405 . 17 1 1 A 43 43 PRO CB C 43 32.137 29.935 2.202 1
1 414 . 17 1 1 A 44 44 SER N N 44 116.517 119.324 -2.807 1
1 415 . 17 1 1 A 44 44 SER H H 44 8.453 8.148 0.305 1
1 416 . 17 1 1 A 44 44 SER CB C 44 61.760 66.118 -4.358 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.476 46.789 -1.313 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.020 3.803 0.217 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.020 3.803 0.217 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.552 174.211 0.341 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.807 111.292 1.515 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.124 7.659 0.465 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.837 59.654 2.183 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.310 5.184 -0.874 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.739 71.974 -2.235 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.300 173.561 1.739 1
1 16 . 18 1 1 A 9 9 GLY N N 9 111.107 109.064 2.043 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.427 8.597 -0.170 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.215 44.397 0.818 1
1 19 . 18 1 1 A 9 9 GLY HA2 H 9 3.908 4.129 -0.221 1
1 20 . 18 1 1 A 9 9 GLY HA3 H 9 3.908 4.131 -0.223 1
1 21 . 18 1 1 A 9 9 GLY C C 9 174.012 172.826 1.186 1
1 22 . 18 1 1 A 10 10 GLU N N 10 120.447 119.176 1.271 1
1 23 . 18 1 1 A 10 10 GLU H H 10 8.157 8.345 -0.188 1
1 24 . 18 1 1 A 10 10 GLU CA C 10 56.427 56.221 0.206 1
1 25 . 18 1 1 A 10 10 GLU HA H 10 4.192 4.495 -0.303 1
1 26 . 18 1 1 A 10 10 GLU CB C 10 30.579 30.649 -0.070 1
1 32 . 18 1 1 A 10 10 GLU C C 10 176.190 176.397 -0.207 1
1 33 . 18 1 1 A 11 11 LYS N N 11 123.159 122.260 0.899 1
1 34 . 18 1 1 A 11 11 LYS H H 11 8.316 8.750 -0.434 1
1 35 . 18 1 1 A 11 11 LYS CA C 11 54.101 53.974 0.127 1
1 36 . 18 1 1 A 11 11 LYS HA H 11 4.442 4.669 -0.227 1
1 37 . 18 1 1 A 11 11 LYS CB C 11 32.610 32.351 0.259 1
1 49 . 18 1 1 A 11 11 LYS C C 11 174.187 176.406 -2.219 1
1 50 . 18 1 1 A 12 12 PRO CA C 12 63.210 63.831 -0.621 1
1 51 . 18 1 1 A 12 12 PRO HA H 12 4.407 4.306 0.101 1
1 52 . 18 1 1 A 12 12 PRO CB C 12 32.232 31.235 0.997 1
1 61 . 18 1 1 A 12 12 PRO C C 12 176.447 175.708 0.739 1
1 62 . 18 1 1 A 13 13 PHE N N 13 119.708 118.521 1.187 1
1 63 . 18 1 1 A 13 13 PHE H H 13 8.425 7.594 0.831 1
1 64 . 18 1 1 A 13 13 PHE CA C 13 57.386 56.477 0.909 1
1 65 . 18 1 1 A 13 13 PHE HA H 13 4.561 5.318 -0.757 1
1 66 . 18 1 1 A 13 13 PHE CB C 13 40.677 44.273 -3.596 1
1 79 . 18 1 1 A 13 13 PHE C C 13 174.289 174.284 0.005 1
1 80 . 18 1 1 A 14 14 LYS N N 14 124.280 120.148 4.132 1
1 81 . 18 1 1 A 14 14 LYS H H 14 8.599 8.829 -0.230 1
1 82 . 18 1 1 A 14 14 LYS CA C 14 55.128 55.936 -0.808 1
1 83 . 18 1 1 A 14 14 LYS HA H 14 4.876 4.823 0.053 1
1 84 . 18 1 1 A 14 14 LYS CB C 14 35.217 36.882 -1.665 1
1 96 . 18 1 1 A 14 14 LYS C C 14 175.445 174.283 1.162 1
1 97 . 18 1 1 A 15 15 CYS N N 15 126.829 123.729 3.100 1
1 98 . 18 1 1 A 15 15 CYS H H 15 9.153 9.318 -0.165 1
1 99 . 18 1 1 A 15 15 CYS CA C 15 59.229 58.597 0.632 1
1 100 . 18 1 1 A 15 15 CYS HA H 15 4.498 4.839 -0.341 1
1 101 . 18 1 1 A 15 15 CYS CB C 15 29.719 29.560 0.159 1
1 104 . 18 1 1 A 15 15 CYS C C 15 176.812 174.460 2.352 1
1 105 . 18 1 1 A 16 16 ASP N N 16 131.329 123.234 8.095 1
1 106 . 18 1 1 A 16 16 ASP H H 16 9.242 9.026 0.216 1
1 107 . 18 1 1 A 16 16 ASP CA C 16 56.451 54.933 1.518 1
1 108 . 18 1 1 A 16 16 ASP HA H 16 4.402 4.880 -0.478 1
1 109 . 18 1 1 A 16 16 ASP CB C 16 40.727 42.386 -1.659 1
1 112 . 18 1 1 A 16 16 ASP C C 16 176.032 176.985 -0.953 1
1 113 . 18 1 1 A 17 17 ILE N N 17 121.275 118.155 3.120 1
1 114 . 18 1 1 A 17 17 ILE H H 17 8.635 7.807 0.828 1
1 115 . 18 1 1 A 17 17 ILE CA C 17 63.212 63.842 -0.630 1
1 116 . 18 1 1 A 17 17 ILE HA H 17 3.821 3.819 0.002 1
1 117 . 18 1 1 A 17 17 ILE CB C 17 38.137 38.207 -0.070 1
1 130 . 18 1 1 A 17 17 ILE C C 17 177.086 177.679 -0.593 1
1 131 . 18 1 1 A 18 18 CYS N N 18 115.895 114.800 1.095 1
1 132 . 18 1 1 A 18 18 CYS H H 18 8.067 7.919 0.148 1
1 133 . 18 1 1 A 18 18 CYS CA C 18 58.167 58.591 -0.424 1
1 134 . 18 1 1 A 18 18 CYS HA H 18 5.107 4.682 0.425 1
1 135 . 18 1 1 A 18 18 CYS CB C 18 32.381 29.603 2.778 1
1 138 . 18 1 1 A 18 18 CYS C C 18 176.599 176.239 0.360 1
1 139 . 18 1 1 A 19 19 GLY N N 19 113.203 111.204 1.999 1
1 140 . 18 1 1 A 19 19 GLY H H 19 8.004 8.119 -0.115 1
1 141 . 18 1 1 A 19 19 GLY CA C 19 46.439 45.886 0.553 1
1 142 . 18 1 1 A 19 19 GLY HA2 H 19 3.769 3.987 -0.218 1
1 143 . 18 1 1 A 19 19 GLY HA3 H 19 4.167 4.008 0.159 1
1 144 . 18 1 1 A 19 19 GLY C C 19 173.734 174.471 -0.737 1
1 145 . 18 1 1 A 20 20 LYS N N 20 122.356 121.479 0.877 1
1 146 . 18 1 1 A 20 20 LYS H H 20 7.822 7.408 0.414 1
1 147 . 18 1 1 A 20 20 LYS CA C 20 57.737 57.004 0.733 1
1 148 . 18 1 1 A 20 20 LYS HA H 20 4.045 4.187 -0.142 1
1 149 . 18 1 1 A 20 20 LYS CB C 20 33.982 33.624 0.358 1
1 161 . 18 1 1 A 20 20 LYS C C 20 174.356 176.543 -2.187 1
1 162 . 18 1 1 A 21 21 SER N N 21 114.802 117.491 -2.689 1
1 163 . 18 1 1 A 21 21 SER H H 21 7.870 8.230 -0.360 1
1 164 . 18 1 1 A 21 21 SER CA C 21 57.281 56.435 0.846 1
1 165 . 18 1 1 A 21 21 SER HA H 21 5.187 5.465 -0.278 1
1 166 . 18 1 1 A 21 21 SER CB C 21 65.661 65.533 0.128 1
1 169 . 18 1 1 A 21 21 SER C C 21 173.041 173.790 -0.749 1
1 170 . 18 1 1 A 22 22 PHE N N 22 118.519 117.886 0.633 1
1 171 . 18 1 1 A 22 22 PHE H H 22 8.795 8.806 -0.011 1
1 172 . 18 1 1 A 22 22 PHE CA C 22 58.014 56.463 1.551 1
1 173 . 18 1 1 A 22 22 PHE HA H 22 3.364 4.937 -1.573 1
1 174 . 18 1 1 A 22 22 PHE CB C 22 44.178 42.093 2.085 1
1 187 . 18 1 1 A 22 22 PHE C C 22 175.163 175.820 -0.657 1
1 188 . 18 1 1 A 23 23 CYS CA C 23 59.537 61.726 -2.189 1
1 189 . 18 1 1 A 23 23 CYS HA H 23 4.584 4.362 0.222 1
1 190 . 18 1 1 A 23 23 CYS CB C 23 27.668 27.794 -0.126 1
1 193 . 18 1 1 A 23 23 CYS C C 23 174.498 175.230 -0.732 1
1 194 . 18 1 1 A 24 24 GLY N N 24 110.238 108.473 1.765 1
1 195 . 18 1 1 A 24 24 GLY H H 24 7.698 8.045 -0.347 1
1 196 . 18 1 1 A 24 24 GLY CA C 24 44.739 44.558 0.181 1
1 197 . 18 1 1 A 24 24 GLY HA2 H 24 4.165 4.144 0.021 1
1 198 . 18 1 1 A 24 24 GLY HA3 H 24 3.964 4.156 -0.192 1
1 199 . 18 1 1 A 24 24 GLY C C 24 172.746 174.245 -1.499 1
1 200 . 18 1 1 A 25 25 ARG N N 25 123.007 124.798 -1.791 1
1 201 . 18 1 1 A 25 25 ARG H H 25 8.249 7.726 0.523 1
1 202 . 18 1 1 A 25 25 ARG CA C 25 58.734 58.930 -0.196 1
1 203 . 18 1 1 A 25 25 ARG HA H 25 3.118 3.303 -0.185 1
1 204 . 18 1 1 A 25 25 ARG CB C 25 29.705 29.417 0.288 1
1 213 . 18 1 1 A 25 25 ARG C C 25 178.108 177.515 0.593 1
1 214 . 18 1 1 A 26 26 SER CA C 26 61.773 61.203 0.570 1
1 215 . 18 1 1 A 26 26 SER HA H 26 3.836 3.991 -0.155 1
1 216 . 18 1 1 A 26 26 SER CB C 26 61.872 62.883 -1.011 1
1 219 . 18 1 1 A 26 26 SER C C 26 177.394 176.573 0.821 1
1 220 . 18 1 1 A 27 27 ARG N N 27 121.358 120.777 0.581 1
1 221 . 18 1 1 A 27 27 ARG H H 27 7.581 7.457 0.124 1
1 222 . 18 1 1 A 27 27 ARG CA C 27 58.837 58.196 0.641 1
1 223 . 18 1 1 A 27 27 ARG HA H 27 3.924 4.081 -0.157 1
1 224 . 18 1 1 A 27 27 ARG CB C 27 29.724 30.552 -0.828 1
1 233 . 18 1 1 A 27 27 ARG C C 27 179.126 178.258 0.868 1
1 234 . 18 1 1 A 28 28 LEU N N 28 121.828 120.418 1.410 1
1 235 . 18 1 1 A 28 28 LEU H H 28 7.259 7.515 -0.256 1
1 236 . 18 1 1 A 28 28 LEU CA C 28 57.978 57.976 0.002 1
1 237 . 18 1 1 A 28 28 LEU HA H 28 3.366 2.452 0.914 1
1 238 . 18 1 1 A 28 28 LEU CB C 28 40.695 41.255 -0.560 1
1 251 . 18 1 1 A 28 28 LEU C C 28 177.702 177.960 -0.258 1
1 252 . 18 1 1 A 29 29 ASN N N 29 118.482 115.881 2.601 1
1 253 . 18 1 1 A 29 29 ASN H H 29 8.579 8.413 0.166 1
1 254 . 18 1 1 A 29 29 ASN CA C 29 56.000 56.282 -0.282 1
1 255 . 18 1 1 A 29 29 ASN HA H 29 4.264 4.287 -0.023 1
1 256 . 18 1 1 A 29 29 ASN CB C 29 37.394 37.731 -0.337 1
1 262 . 18 1 1 A 29 29 ASN C C 29 178.386 178.363 0.023 1
1 263 . 18 1 1 A 30 30 ARG N N 30 119.681 118.613 1.068 1
1 264 . 18 1 1 A 30 30 ARG H H 30 7.752 8.085 -0.333 1
1 265 . 18 1 1 A 30 30 ARG CA C 30 58.915 59.600 -0.685 1
1 266 . 18 1 1 A 30 30 ARG HA H 30 4.000 3.969 0.031 1
1 267 . 18 1 1 A 30 30 ARG CB C 30 29.883 29.578 0.305 1
1 276 . 18 1 1 A 30 30 ARG C C 30 178.773 179.189 -0.416 1
1 277 . 18 1 1 A 31 31 HIS N N 31 119.307 120.394 -1.087 1
1 278 . 18 1 1 A 31 31 HIS H H 31 7.577 7.997 -0.420 1
1 279 . 18 1 1 A 31 31 HIS CA C 31 58.939 59.920 -0.981 1
1 280 . 18 1 1 A 31 31 HIS HA H 31 4.111 4.249 -0.138 1
1 281 . 18 1 1 A 31 31 HIS CB C 31 27.639 29.184 -1.545 1
1 288 . 18 1 1 A 31 31 HIS C C 31 176.358 177.860 -1.502 1
1 289 . 18 1 1 A 32 32 SER N N 32 113.043 114.029 -0.986 1
1 290 . 18 1 1 A 32 32 SER H H 32 8.442 8.274 0.168 1
1 291 . 18 1 1 A 32 32 SER CA C 32 62.184 60.889 1.295 1
1 292 . 18 1 1 A 32 32 SER HA H 32 3.814 4.220 -0.406 1
1 293 . 18 1 1 A 32 32 SER CB C 32 63.027 63.042 -0.015 1
1 296 . 18 1 1 A 32 32 SER C C 32 175.520 175.741 -0.221 1
1 297 . 18 1 1 A 33 33 MET N N 33 118.839 119.081 -0.242 1
1 298 . 18 1 1 A 33 33 MET H H 33 7.002 7.837 -0.835 1
1 299 . 18 1 1 A 33 33 MET CA C 33 57.473 57.815 -0.342 1
1 300 . 18 1 1 A 33 33 MET HA H 33 4.176 4.479 -0.303 1
1 301 . 18 1 1 A 33 33 MET CB C 33 32.277 32.678 -0.401 1
1 311 . 18 1 1 A 33 33 MET C C 33 178.211 177.936 0.275 1
1 312 . 18 1 1 A 34 34 VAL N N 34 116.464 116.340 0.124 1
1 313 . 18 1 1 A 34 34 VAL H H 34 7.961 7.768 0.193 1
1 314 . 18 1 1 A 34 34 VAL CA C 34 63.927 65.567 -1.640 1
1 315 . 18 1 1 A 34 34 VAL HA H 34 3.845 3.827 0.018 1
1 316 . 18 1 1 A 34 34 VAL CB C 34 30.987 31.206 -0.219 1
1 326 . 18 1 1 A 34 34 VAL C C 34 177.249 177.689 -0.440 1
1 327 . 18 1 1 A 35 35 HIS N N 35 116.579 120.282 -3.703 1
1 328 . 18 1 1 A 35 35 HIS H H 35 7.050 7.830 -0.780 1
1 329 . 18 1 1 A 35 35 HIS CA C 35 55.032 59.465 -4.433 1
1 330 . 18 1 1 A 35 35 HIS HA H 35 4.866 4.153 0.713 1
1 331 . 18 1 1 A 35 35 HIS CB C 35 28.597 30.472 -1.875 1
1 338 . 18 1 1 A 35 35 HIS C C 35 175.442 176.079 -0.637 1
1 339 . 18 1 1 A 36 36 THR N N 36 113.320 113.716 -0.396 1
1 340 . 18 1 1 A 36 36 THR H H 36 7.617 7.750 -0.133 1
1 341 . 18 1 1 A 36 36 THR CA C 36 62.572 63.480 -0.908 1
1 342 . 18 1 1 A 36 36 THR HA H 36 4.228 4.500 -0.272 1
1 343 . 18 1 1 A 36 36 THR CB C 36 69.623 70.145 -0.522 1
1 349 . 18 1 1 A 36 36 THR C C 36 174.335 175.482 -1.147 1
1 350 . 18 1 1 A 37 37 ALA N N 37 125.356 121.375 3.981 1
1 351 . 18 1 1 A 37 37 ALA H H 37 8.086 7.988 0.098 1
1 352 . 18 1 1 A 37 37 ALA CA C 37 52.577 52.170 0.407 1
1 353 . 18 1 1 A 37 37 ALA HA H 37 4.279 4.369 -0.090 1
1 354 . 18 1 1 A 37 37 ALA CB C 37 19.131 19.005 0.126 1
1 358 . 18 1 1 A 37 37 ALA C C 37 177.556 176.153 1.403 1
1 359 . 18 1 1 A 38 38 GLU N N 38 119.877 116.331 3.546 1
1 360 . 18 1 1 A 38 38 GLU H H 38 8.105 7.798 0.307 1
1 361 . 18 1 1 A 38 38 GLU CA C 38 56.451 54.863 1.588 1
1 362 . 18 1 1 A 38 38 GLU HA H 38 4.163 5.031 -0.868 1
1 363 . 18 1 1 A 38 38 GLU CB C 38 30.357 32.990 -2.633 1
1 369 . 18 1 1 A 38 38 GLU C C 38 176.160 174.676 1.484 1
1 370 . 18 1 1 A 39 39 LYS N N 39 123.534 123.907 -0.373 1
1 371 . 18 1 1 A 39 39 LYS H H 39 8.259 8.704 -0.445 1
1 372 . 18 1 1 A 39 39 LYS CA C 39 54.110 52.732 1.378 1
1 373 . 18 1 1 A 39 39 LYS HA H 39 4.547 4.745 -0.198 1
1 374 . 18 1 1 A 39 39 LYS CB C 39 32.486 34.216 -1.730 1
1 386 . 18 1 1 A 39 39 LYS C C 39 174.387 174.123 0.264 1
1 387 . 18 1 1 A 40 40 PRO CA C 40 63.170 62.851 0.319 1
1 388 . 18 1 1 A 40 40 PRO HA H 40 4.405 4.723 -0.318 1
1 389 . 18 1 1 A 40 40 PRO CB C 40 32.153 33.256 -1.103 1
1 398 . 18 1 1 A 41 41 SER N N 41 116.460 117.533 -1.073 1
1 399 . 18 1 1 A 41 41 SER H H 41 8.499 8.585 -0.086 1
1 400 . 18 1 1 A 42 42 GLY CA C 42 44.629 44.616 0.013 1
1 401 . 18 1 1 A 42 42 GLY HA2 H 42 4.100 4.062 0.038 1
1 402 . 18 1 1 A 42 42 GLY HA3 H 42 4.051 4.062 -0.011 1
1 403 . 18 1 1 A 43 43 PRO CA C 43 63.255 62.853 0.402 1
1 404 . 18 1 1 A 43 43 PRO HA H 43 4.417 4.689 -0.272 1
1 405 . 18 1 1 A 43 43 PRO CB C 43 32.137 31.790 0.347 1
1 414 . 18 1 1 A 44 44 SER N N 44 116.517 118.547 -2.030 1
1 415 . 18 1 1 A 44 44 SER H H 44 8.453 8.854 -0.401 1
1 416 . 18 1 1 A 44 44 SER CB C 44 61.760 65.769 -4.009 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.476 46.434 -0.958 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.020 3.994 0.026 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.020 3.998 0.022 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.552 174.326 0.226 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.807 109.815 2.992 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.124 8.109 0.015 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.837 60.279 1.558 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.310 4.707 -0.397 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.739 70.994 -1.255 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.300 173.677 1.623 1
1 16 . 19 1 1 A 9 9 GLY N N 9 111.107 109.705 1.402 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.427 8.433 -0.006 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.215 45.489 -0.274 1
1 19 . 19 1 1 A 9 9 GLY HA2 H 9 3.908 3.994 -0.086 1
1 20 . 19 1 1 A 9 9 GLY HA3 H 9 3.908 3.995 -0.087 1
1 21 . 19 1 1 A 9 9 GLY C C 9 174.012 174.703 -0.691 1
1 22 . 19 1 1 A 10 10 GLU N N 10 120.447 120.930 -0.483 1
1 23 . 19 1 1 A 10 10 GLU H H 10 8.157 7.941 0.216 1
1 24 . 19 1 1 A 10 10 GLU CA C 10 56.427 55.408 1.019 1
1 25 . 19 1 1 A 10 10 GLU HA H 10 4.192 4.611 -0.419 1
1 26 . 19 1 1 A 10 10 GLU CB C 10 30.579 30.870 -0.291 1
1 32 . 19 1 1 A 10 10 GLU C C 10 176.190 176.153 0.037 1
1 33 . 19 1 1 A 11 11 LYS N N 11 123.159 121.115 2.044 1
1 34 . 19 1 1 A 11 11 LYS H H 11 8.316 8.529 -0.213 1
1 35 . 19 1 1 A 11 11 LYS CA C 11 54.101 54.905 -0.804 1
1 36 . 19 1 1 A 11 11 LYS HA H 11 4.442 4.406 0.036 1
1 37 . 19 1 1 A 11 11 LYS CB C 11 32.610 31.919 0.691 1
1 49 . 19 1 1 A 11 11 LYS C C 11 174.187 176.524 -2.337 1
1 50 . 19 1 1 A 12 12 PRO CA C 12 63.210 63.913 -0.703 1
1 51 . 19 1 1 A 12 12 PRO HA H 12 4.407 4.315 0.092 1
1 52 . 19 1 1 A 12 12 PRO CB C 12 32.232 31.295 0.937 1
1 61 . 19 1 1 A 12 12 PRO C C 12 176.447 175.676 0.771 1
1 62 . 19 1 1 A 13 13 PHE N N 13 119.708 118.538 1.170 1
1 63 . 19 1 1 A 13 13 PHE H H 13 8.425 7.597 0.828 1
1 64 . 19 1 1 A 13 13 PHE CA C 13 57.386 56.479 0.907 1
1 65 . 19 1 1 A 13 13 PHE HA H 13 4.561 5.295 -0.734 1
1 66 . 19 1 1 A 13 13 PHE CB C 13 40.677 44.252 -3.575 1
1 79 . 19 1 1 A 13 13 PHE C C 13 174.289 174.290 -0.001 1
1 80 . 19 1 1 A 14 14 LYS N N 14 124.280 120.201 4.079 1
1 81 . 19 1 1 A 14 14 LYS H H 14 8.599 8.821 -0.222 1
1 82 . 19 1 1 A 14 14 LYS CA C 14 55.128 55.911 -0.783 1
1 83 . 19 1 1 A 14 14 LYS HA H 14 4.876 4.835 0.041 1
1 84 . 19 1 1 A 14 14 LYS CB C 14 35.217 36.757 -1.540 1
1 96 . 19 1 1 A 14 14 LYS C C 14 175.445 174.244 1.201 1
1 97 . 19 1 1 A 15 15 CYS N N 15 126.829 123.653 3.176 1
1 98 . 19 1 1 A 15 15 CYS H H 15 9.153 9.370 -0.217 1
1 99 . 19 1 1 A 15 15 CYS CA C 15 59.229 58.589 0.640 1
1 100 . 19 1 1 A 15 15 CYS HA H 15 4.498 4.825 -0.327 1
1 101 . 19 1 1 A 15 15 CYS CB C 15 29.719 29.445 0.274 1
1 104 . 19 1 1 A 15 15 CYS C C 15 176.812 174.463 2.349 1
1 105 . 19 1 1 A 16 16 ASP N N 16 131.329 123.281 8.048 1
1 106 . 19 1 1 A 16 16 ASP H H 16 9.242 8.953 0.289 1
1 107 . 19 1 1 A 16 16 ASP CA C 16 56.451 54.911 1.540 1
1 108 . 19 1 1 A 16 16 ASP HA H 16 4.402 4.862 -0.460 1
1 109 . 19 1 1 A 16 16 ASP CB C 16 40.727 42.365 -1.638 1
1 112 . 19 1 1 A 16 16 ASP C C 16 176.032 176.969 -0.937 1
1 113 . 19 1 1 A 17 17 ILE N N 17 121.275 118.862 2.413 1
1 114 . 19 1 1 A 17 17 ILE H H 17 8.635 7.736 0.899 1
1 115 . 19 1 1 A 17 17 ILE CA C 17 63.212 63.712 -0.500 1
1 116 . 19 1 1 A 17 17 ILE HA H 17 3.821 3.816 0.005 1
1 117 . 19 1 1 A 17 17 ILE CB C 17 38.137 38.190 -0.053 1
1 130 . 19 1 1 A 17 17 ILE C C 17 177.086 177.680 -0.594 1
1 131 . 19 1 1 A 18 18 CYS N N 18 115.895 114.808 1.087 1
1 132 . 19 1 1 A 18 18 CYS H H 18 8.067 7.929 0.138 1
1 133 . 19 1 1 A 18 18 CYS CA C 18 58.167 58.590 -0.423 1
1 134 . 19 1 1 A 18 18 CYS HA H 18 5.107 4.681 0.426 1
1 135 . 19 1 1 A 18 18 CYS CB C 18 32.381 29.680 2.701 1
1 138 . 19 1 1 A 18 18 CYS C C 18 176.599 176.253 0.346 1
1 139 . 19 1 1 A 19 19 GLY N N 19 113.203 111.199 2.004 1
1 140 . 19 1 1 A 19 19 GLY H H 19 8.004 8.148 -0.144 1
1 141 . 19 1 1 A 19 19 GLY CA C 19 46.439 45.870 0.569 1
1 142 . 19 1 1 A 19 19 GLY HA2 H 19 3.769 3.988 -0.219 1
1 143 . 19 1 1 A 19 19 GLY HA3 H 19 4.167 4.007 0.160 1
1 144 . 19 1 1 A 19 19 GLY C C 19 173.734 174.471 -0.737 1
1 145 . 19 1 1 A 20 20 LYS N N 20 122.356 121.347 1.009 1
1 146 . 19 1 1 A 20 20 LYS H H 20 7.822 7.428 0.394 1
1 147 . 19 1 1 A 20 20 LYS CA C 20 57.737 57.036 0.701 1
1 148 . 19 1 1 A 20 20 LYS HA H 20 4.045 4.211 -0.166 1
1 149 . 19 1 1 A 20 20 LYS CB C 20 33.982 33.664 0.318 1
1 161 . 19 1 1 A 20 20 LYS C C 20 174.356 176.631 -2.275 1
1 162 . 19 1 1 A 21 21 SER N N 21 114.802 117.539 -2.737 1
1 163 . 19 1 1 A 21 21 SER H H 21 7.870 8.250 -0.380 1
1 164 . 19 1 1 A 21 21 SER CA C 21 57.281 56.464 0.817 1
1 165 . 19 1 1 A 21 21 SER HA H 21 5.187 5.497 -0.310 1
1 166 . 19 1 1 A 21 21 SER CB C 21 65.661 65.572 0.089 1
1 169 . 19 1 1 A 21 21 SER C C 21 173.041 173.912 -0.871 1
1 170 . 19 1 1 A 22 22 PHE N N 22 118.519 117.925 0.594 1
1 171 . 19 1 1 A 22 22 PHE H H 22 8.795 8.854 -0.059 1
1 172 . 19 1 1 A 22 22 PHE CA C 22 58.014 56.426 1.588 1
1 173 . 19 1 1 A 22 22 PHE HA H 22 3.364 4.969 -1.605 1
1 174 . 19 1 1 A 22 22 PHE CB C 22 44.178 41.965 2.213 1
1 187 . 19 1 1 A 22 22 PHE C C 22 175.163 175.872 -0.709 1
1 188 . 19 1 1 A 23 23 CYS CA C 23 59.537 61.748 -2.211 1
1 189 . 19 1 1 A 23 23 CYS HA H 23 4.584 4.347 0.237 1
1 190 . 19 1 1 A 23 23 CYS CB C 23 27.668 27.670 -0.002 1
1 193 . 19 1 1 A 23 23 CYS C C 23 174.498 175.207 -0.709 1
1 194 . 19 1 1 A 24 24 GLY N N 24 110.238 108.322 1.916 1
1 195 . 19 1 1 A 24 24 GLY H H 24 7.698 8.043 -0.345 1
1 196 . 19 1 1 A 24 24 GLY CA C 24 44.739 44.480 0.259 1
1 197 . 19 1 1 A 24 24 GLY HA2 H 24 4.165 4.138 0.027 1
1 198 . 19 1 1 A 24 24 GLY HA3 H 24 3.964 4.141 -0.177 1
1 199 . 19 1 1 A 24 24 GLY C C 24 172.746 174.073 -1.327 1
1 200 . 19 1 1 A 25 25 ARG N N 25 123.007 124.663 -1.656 1
1 201 . 19 1 1 A 25 25 ARG H H 25 8.249 7.757 0.492 1
1 202 . 19 1 1 A 25 25 ARG CA C 25 58.734 58.931 -0.197 1
1 203 . 19 1 1 A 25 25 ARG HA H 25 3.118 3.265 -0.147 1
1 204 . 19 1 1 A 25 25 ARG CB C 25 29.705 29.481 0.224 1
1 213 . 19 1 1 A 25 25 ARG C C 25 178.108 177.663 0.445 1
1 214 . 19 1 1 A 26 26 SER CA C 26 61.773 61.790 -0.017 1
1 215 . 19 1 1 A 26 26 SER HA H 26 3.836 4.038 -0.202 1
1 216 . 19 1 1 A 26 26 SER CB C 26 61.872 62.948 -1.076 1
1 219 . 19 1 1 A 26 26 SER C C 26 177.394 176.318 1.076 1
1 220 . 19 1 1 A 27 27 ARG N N 27 121.358 120.802 0.556 1
1 221 . 19 1 1 A 27 27 ARG H H 27 7.581 7.418 0.163 1
1 222 . 19 1 1 A 27 27 ARG CA C 27 58.837 58.352 0.485 1
1 223 . 19 1 1 A 27 27 ARG HA H 27 3.924 4.099 -0.175 1
1 224 . 19 1 1 A 27 27 ARG CB C 27 29.724 30.506 -0.782 1
1 233 . 19 1 1 A 27 27 ARG C C 27 179.126 178.220 0.906 1
1 234 . 19 1 1 A 28 28 LEU N N 28 121.828 120.444 1.384 1
1 235 . 19 1 1 A 28 28 LEU H H 28 7.259 7.603 -0.344 1
1 236 . 19 1 1 A 28 28 LEU CA C 28 57.978 57.839 0.139 1
1 237 . 19 1 1 A 28 28 LEU HA H 28 3.366 2.430 0.936 1
1 238 . 19 1 1 A 28 28 LEU CB C 28 40.695 41.182 -0.487 1
1 251 . 19 1 1 A 28 28 LEU C C 28 177.702 177.917 -0.215 1
1 252 . 19 1 1 A 29 29 ASN N N 29 118.482 115.526 2.956 1
1 253 . 19 1 1 A 29 29 ASN H H 29 8.579 8.386 0.193 1
1 254 . 19 1 1 A 29 29 ASN CA C 29 56.000 56.285 -0.285 1
1 255 . 19 1 1 A 29 29 ASN HA H 29 4.264 4.277 -0.013 1
1 256 . 19 1 1 A 29 29 ASN CB C 29 37.394 37.797 -0.403 1
1 262 . 19 1 1 A 29 29 ASN C C 29 178.386 178.305 0.081 1
1 263 . 19 1 1 A 30 30 ARG N N 30 119.681 118.594 1.087 1
1 264 . 19 1 1 A 30 30 ARG H H 30 7.752 8.111 -0.359 1
1 265 . 19 1 1 A 30 30 ARG CA C 30 58.915 59.715 -0.800 1
1 266 . 19 1 1 A 30 30 ARG HA H 30 4.000 3.974 0.026 1
1 267 . 19 1 1 A 30 30 ARG CB C 30 29.883 29.516 0.367 1
1 276 . 19 1 1 A 30 30 ARG C C 30 178.773 179.187 -0.414 1
1 277 . 19 1 1 A 31 31 HIS N N 31 119.307 120.391 -1.084 1
1 278 . 19 1 1 A 31 31 HIS H H 31 7.577 8.054 -0.477 1
1 279 . 19 1 1 A 31 31 HIS CA C 31 58.939 59.930 -0.991 1
1 280 . 19 1 1 A 31 31 HIS HA H 31 4.111 4.252 -0.141 1
1 281 . 19 1 1 A 31 31 HIS CB C 31 27.639 29.208 -1.569 1
1 288 . 19 1 1 A 31 31 HIS C C 31 176.358 177.892 -1.534 1
1 289 . 19 1 1 A 32 32 SER N N 32 113.043 113.880 -0.837 1
1 290 . 19 1 1 A 32 32 SER H H 32 8.442 8.247 0.195 1
1 291 . 19 1 1 A 32 32 SER CA C 32 62.184 60.865 1.319 1
1 292 . 19 1 1 A 32 32 SER HA H 32 3.814 4.238 -0.424 1
1 293 . 19 1 1 A 32 32 SER CB C 32 63.027 62.936 0.091 1
1 296 . 19 1 1 A 32 32 SER C C 32 175.520 175.667 -0.147 1
1 297 . 19 1 1 A 33 33 MET N N 33 118.839 118.910 -0.071 1
1 298 . 19 1 1 A 33 33 MET H H 33 7.002 7.840 -0.838 1
1 299 . 19 1 1 A 33 33 MET CA C 33 57.473 57.189 0.284 1
1 300 . 19 1 1 A 33 33 MET HA H 33 4.176 4.457 -0.281 1
1 301 . 19 1 1 A 33 33 MET CB C 33 32.277 32.768 -0.491 1
1 311 . 19 1 1 A 33 33 MET C C 33 178.211 177.834 0.377 1
1 312 . 19 1 1 A 34 34 VAL N N 34 116.464 116.146 0.318 1
1 313 . 19 1 1 A 34 34 VAL H H 34 7.961 7.738 0.223 1
1 314 . 19 1 1 A 34 34 VAL CA C 34 63.927 65.223 -1.296 1
1 315 . 19 1 1 A 34 34 VAL HA H 34 3.845 3.865 -0.020 1
1 316 . 19 1 1 A 34 34 VAL CB C 34 30.987 31.264 -0.277 1
1 326 . 19 1 1 A 34 34 VAL C C 34 177.249 177.403 -0.154 1
1 327 . 19 1 1 A 35 35 HIS N N 35 116.579 119.773 -3.194 1
1 328 . 19 1 1 A 35 35 HIS H H 35 7.050 7.940 -0.890 1
1 329 . 19 1 1 A 35 35 HIS CA C 35 55.032 59.234 -4.202 1
1 330 . 19 1 1 A 35 35 HIS HA H 35 4.866 4.336 0.530 1
1 331 . 19 1 1 A 35 35 HIS CB C 35 28.597 30.564 -1.967 1
1 338 . 19 1 1 A 35 35 HIS C C 35 175.442 175.654 -0.212 1
1 339 . 19 1 1 A 36 36 THR N N 36 113.320 112.958 0.362 1
1 340 . 19 1 1 A 36 36 THR H H 36 7.617 7.484 0.133 1
1 341 . 19 1 1 A 36 36 THR CA C 36 62.572 61.202 1.370 1
1 342 . 19 1 1 A 36 36 THR HA H 36 4.228 4.438 -0.210 1
1 343 . 19 1 1 A 36 36 THR CB C 36 69.623 69.331 0.292 1
1 349 . 19 1 1 A 36 36 THR C C 36 174.335 175.246 -0.911 1
1 350 . 19 1 1 A 37 37 ALA N N 37 125.356 125.072 0.284 1
1 351 . 19 1 1 A 37 37 ALA H H 37 8.086 7.910 0.176 1
1 352 . 19 1 1 A 37 37 ALA CA C 37 52.577 51.562 1.015 1
1 353 . 19 1 1 A 37 37 ALA HA H 37 4.279 4.460 -0.181 1
1 354 . 19 1 1 A 37 37 ALA CB C 37 19.131 19.116 0.015 1
1 358 . 19 1 1 A 37 37 ALA C C 37 177.556 176.149 1.407 1
1 359 . 19 1 1 A 38 38 GLU N N 38 119.877 115.265 4.612 1
1 360 . 19 1 1 A 38 38 GLU H H 38 8.105 7.643 0.462 1
1 361 . 19 1 1 A 38 38 GLU CA C 38 56.451 54.702 1.749 1
1 362 . 19 1 1 A 38 38 GLU HA H 38 4.163 4.845 -0.682 1
1 363 . 19 1 1 A 38 38 GLU CB C 38 30.357 33.026 -2.669 1
1 369 . 19 1 1 A 38 38 GLU C C 38 176.160 175.381 0.779 1
1 370 . 19 1 1 A 39 39 LYS N N 39 123.534 122.363 1.171 1
1 371 . 19 1 1 A 39 39 LYS H H 39 8.259 8.330 -0.071 1
1 372 . 19 1 1 A 39 39 LYS CA C 39 54.110 55.330 -1.220 1
1 373 . 19 1 1 A 39 39 LYS HA H 39 4.547 4.292 0.255 1
1 374 . 19 1 1 A 39 39 LYS CB C 39 32.486 31.957 0.529 1
1 386 . 19 1 1 A 39 39 LYS C C 39 174.387 176.531 -2.144 1
1 387 . 19 1 1 A 40 40 PRO CA C 40 63.170 63.682 -0.512 1
1 388 . 19 1 1 A 40 40 PRO HA H 40 4.405 4.488 -0.083 1
1 389 . 19 1 1 A 40 40 PRO CB C 40 32.153 32.237 -0.084 1
1 398 . 19 1 1 A 41 41 SER N N 41 116.460 114.347 2.113 1
1 399 . 19 1 1 A 41 41 SER H H 41 8.499 7.619 0.880 1
1 400 . 19 1 1 A 42 42 GLY CA C 42 44.629 45.417 -0.788 1
1 401 . 19 1 1 A 42 42 GLY HA2 H 42 4.100 4.201 -0.101 1
1 402 . 19 1 1 A 42 42 GLY HA3 H 42 4.051 4.202 -0.151 1
1 403 . 19 1 1 A 43 43 PRO CA C 43 63.255 62.904 0.351 1
1 404 . 19 1 1 A 43 43 PRO HA H 43 4.417 4.699 -0.282 1
1 405 . 19 1 1 A 43 43 PRO CB C 43 32.137 31.780 0.357 1
1 414 . 19 1 1 A 44 44 SER N N 44 116.517 115.073 1.444 1
1 415 . 19 1 1 A 44 44 SER H H 44 8.453 8.389 0.064 1
1 416 . 19 1 1 A 44 44 SER CB C 44 61.760 65.612 -3.852 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.476 45.283 0.193 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.020 4.128 -0.108 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.020 4.132 -0.112 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.552 172.850 1.702 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.807 114.182 -1.375 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.124 8.569 -0.445 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.837 60.663 1.174 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.310 4.605 -0.295 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.739 70.627 -0.888 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.300 174.470 0.830 1
1 16 . 20 1 1 A 9 9 GLY N N 9 111.107 110.480 0.627 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.427 8.479 -0.052 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.215 44.944 0.271 1
1 19 . 20 1 1 A 9 9 GLY HA2 H 9 3.908 4.006 -0.098 1
1 20 . 20 1 1 A 9 9 GLY HA3 H 9 3.908 4.006 -0.098 1
1 21 . 20 1 1 A 9 9 GLY C C 9 174.012 172.691 1.321 1
1 22 . 20 1 1 A 10 10 GLU N N 10 120.447 120.616 -0.169 1
1 23 . 20 1 1 A 10 10 GLU H H 10 8.157 8.488 -0.331 1
1 24 . 20 1 1 A 10 10 GLU CA C 10 56.427 54.725 1.702 1
1 25 . 20 1 1 A 10 10 GLU HA H 10 4.192 4.957 -0.765 1
1 26 . 20 1 1 A 10 10 GLU CB C 10 30.579 33.004 -2.425 1
1 32 . 20 1 1 A 10 10 GLU C C 10 176.190 175.301 0.889 1
1 33 . 20 1 1 A 11 11 LYS N N 11 123.159 124.062 -0.903 1
1 34 . 20 1 1 A 11 11 LYS H H 11 8.316 8.659 -0.343 1
1 35 . 20 1 1 A 11 11 LYS CA C 11 54.101 53.922 0.179 1
1 36 . 20 1 1 A 11 11 LYS HA H 11 4.442 4.671 -0.229 1
1 37 . 20 1 1 A 11 11 LYS CB C 11 32.610 32.203 0.407 1
1 49 . 20 1 1 A 11 11 LYS C C 11 174.187 176.409 -2.222 1
1 50 . 20 1 1 A 12 12 PRO CA C 12 63.210 63.788 -0.578 1
1 51 . 20 1 1 A 12 12 PRO HA H 12 4.407 4.324 0.083 1
1 52 . 20 1 1 A 12 12 PRO CB C 12 32.232 31.183 1.049 1
1 61 . 20 1 1 A 12 12 PRO C C 12 176.447 175.707 0.740 1
1 62 . 20 1 1 A 13 13 PHE N N 13 119.708 118.504 1.204 1
1 63 . 20 1 1 A 13 13 PHE H H 13 8.425 7.599 0.826 1
1 64 . 20 1 1 A 13 13 PHE CA C 13 57.386 56.560 0.826 1
1 65 . 20 1 1 A 13 13 PHE HA H 13 4.561 5.311 -0.750 1
1 66 . 20 1 1 A 13 13 PHE CB C 13 40.677 44.081 -3.404 1
1 79 . 20 1 1 A 13 13 PHE C C 13 174.289 174.295 -0.006 1
1 80 . 20 1 1 A 14 14 LYS N N 14 124.280 120.517 3.763 1
1 81 . 20 1 1 A 14 14 LYS H H 14 8.599 8.817 -0.218 1
1 82 . 20 1 1 A 14 14 LYS CA C 14 55.128 55.941 -0.813 1
1 83 . 20 1 1 A 14 14 LYS HA H 14 4.876 4.843 0.033 1
1 84 . 20 1 1 A 14 14 LYS CB C 14 35.217 36.843 -1.626 1
1 96 . 20 1 1 A 14 14 LYS C C 14 175.445 174.245 1.200 1
1 97 . 20 1 1 A 15 15 CYS N N 15 126.829 123.708 3.121 1
1 98 . 20 1 1 A 15 15 CYS H H 15 9.153 9.346 -0.193 1
1 99 . 20 1 1 A 15 15 CYS CA C 15 59.229 58.614 0.615 1
1 100 . 20 1 1 A 15 15 CYS HA H 15 4.498 4.815 -0.317 1
1 101 . 20 1 1 A 15 15 CYS CB C 15 29.719 29.559 0.160 1
1 104 . 20 1 1 A 15 15 CYS C C 15 176.812 174.453 2.359 1
1 105 . 20 1 1 A 16 16 ASP N N 16 131.329 123.319 8.010 1
1 106 . 20 1 1 A 16 16 ASP H H 16 9.242 9.017 0.225 1
1 107 . 20 1 1 A 16 16 ASP CA C 16 56.451 54.934 1.517 1
1 108 . 20 1 1 A 16 16 ASP HA H 16 4.402 4.878 -0.476 1
1 109 . 20 1 1 A 16 16 ASP CB C 16 40.727 42.406 -1.679 1
1 112 . 20 1 1 A 16 16 ASP C C 16 176.032 176.938 -0.906 1
1 113 . 20 1 1 A 17 17 ILE N N 17 121.275 118.136 3.139 1
1 114 . 20 1 1 A 17 17 ILE H H 17 8.635 7.705 0.930 1
1 115 . 20 1 1 A 17 17 ILE CA C 17 63.212 63.688 -0.476 1
1 116 . 20 1 1 A 17 17 ILE HA H 17 3.821 3.813 0.008 1
1 117 . 20 1 1 A 17 17 ILE CB C 17 38.137 38.158 -0.021 1
1 130 . 20 1 1 A 17 17 ILE C C 17 177.086 177.678 -0.592 1
1 131 . 20 1 1 A 18 18 CYS N N 18 115.895 114.807 1.088 1
1 132 . 20 1 1 A 18 18 CYS H H 18 8.067 7.914 0.153 1
1 133 . 20 1 1 A 18 18 CYS CA C 18 58.167 58.596 -0.429 1
1 134 . 20 1 1 A 18 18 CYS HA H 18 5.107 4.685 0.422 1
1 135 . 20 1 1 A 18 18 CYS CB C 18 32.381 29.579 2.802 1
1 138 . 20 1 1 A 18 18 CYS C C 18 176.599 176.250 0.349 1
1 139 . 20 1 1 A 19 19 GLY N N 19 113.203 111.379 1.824 1
1 140 . 20 1 1 A 19 19 GLY H H 19 8.004 8.144 -0.140 1
1 141 . 20 1 1 A 19 19 GLY CA C 19 46.439 45.939 0.500 1
1 142 . 20 1 1 A 19 19 GLY HA2 H 19 3.769 3.999 -0.230 1
1 143 . 20 1 1 A 19 19 GLY HA3 H 19 4.167 4.019 0.148 1
1 144 . 20 1 1 A 19 19 GLY C C 19 173.734 174.551 -0.817 1
1 145 . 20 1 1 A 20 20 LYS N N 20 122.356 121.446 0.910 1
1 146 . 20 1 1 A 20 20 LYS H H 20 7.822 7.421 0.401 1
1 147 . 20 1 1 A 20 20 LYS CA C 20 57.737 57.051 0.686 1
1 148 . 20 1 1 A 20 20 LYS HA H 20 4.045 4.221 -0.176 1
1 149 . 20 1 1 A 20 20 LYS CB C 20 33.982 33.676 0.306 1
1 161 . 20 1 1 A 20 20 LYS C C 20 174.356 176.658 -2.302 1
1 162 . 20 1 1 A 21 21 SER N N 21 114.802 117.582 -2.780 1
1 163 . 20 1 1 A 21 21 SER H H 21 7.870 8.287 -0.417 1
1 164 . 20 1 1 A 21 21 SER CA C 21 57.281 56.556 0.725 1
1 165 . 20 1 1 A 21 21 SER HA H 21 5.187 5.469 -0.282 1
1 166 . 20 1 1 A 21 21 SER CB C 21 65.661 65.499 0.162 1
1 169 . 20 1 1 A 21 21 SER C C 21 173.041 173.945 -0.904 1
1 170 . 20 1 1 A 22 22 PHE N N 22 118.519 117.956 0.563 1
1 171 . 20 1 1 A 22 22 PHE H H 22 8.795 8.941 -0.146 1
1 172 . 20 1 1 A 22 22 PHE CA C 22 58.014 56.386 1.628 1
1 173 . 20 1 1 A 22 22 PHE HA H 22 3.364 4.969 -1.605 1
1 174 . 20 1 1 A 22 22 PHE CB C 22 44.178 41.793 2.385 1
1 187 . 20 1 1 A 22 22 PHE C C 22 175.163 175.883 -0.720 1
1 188 . 20 1 1 A 23 23 CYS CA C 23 59.537 61.779 -2.242 1
1 189 . 20 1 1 A 23 23 CYS HA H 23 4.584 4.366 0.218 1
1 190 . 20 1 1 A 23 23 CYS CB C 23 27.668 27.787 -0.119 1
1 193 . 20 1 1 A 23 23 CYS C C 23 174.498 175.202 -0.704 1
1 194 . 20 1 1 A 24 24 GLY N N 24 110.238 108.414 1.824 1
1 195 . 20 1 1 A 24 24 GLY H H 24 7.698 7.971 -0.273 1
1 196 . 20 1 1 A 24 24 GLY CA C 24 44.739 44.489 0.250 1
1 197 . 20 1 1 A 24 24 GLY HA2 H 24 4.165 4.043 0.122 1
1 198 . 20 1 1 A 24 24 GLY HA3 H 24 3.964 4.087 -0.123 1
1 199 . 20 1 1 A 24 24 GLY C C 24 172.746 174.054 -1.308 1
1 200 . 20 1 1 A 25 25 ARG N N 25 123.007 124.438 -1.431 1
1 201 . 20 1 1 A 25 25 ARG H H 25 8.249 7.436 0.813 1
1 202 . 20 1 1 A 25 25 ARG CA C 25 58.734 58.905 -0.171 1
1 203 . 20 1 1 A 25 25 ARG HA H 25 3.118 3.320 -0.202 1
1 204 . 20 1 1 A 25 25 ARG CB C 25 29.705 29.444 0.261 1
1 213 . 20 1 1 A 25 25 ARG C C 25 178.108 177.509 0.599 1
1 214 . 20 1 1 A 26 26 SER CA C 26 61.773 61.200 0.573 1
1 215 . 20 1 1 A 26 26 SER HA H 26 3.836 3.992 -0.156 1
1 216 . 20 1 1 A 26 26 SER CB C 26 61.872 62.882 -1.010 1
1 219 . 20 1 1 A 26 26 SER C C 26 177.394 176.658 0.736 1
1 220 . 20 1 1 A 27 27 ARG N N 27 121.358 120.618 0.740 1
1 221 . 20 1 1 A 27 27 ARG H H 27 7.581 7.510 0.071 1
1 222 . 20 1 1 A 27 27 ARG CA C 27 58.837 58.185 0.652 1
1 223 . 20 1 1 A 27 27 ARG HA H 27 3.924 4.107 -0.183 1
1 224 . 20 1 1 A 27 27 ARG CB C 27 29.724 30.507 -0.783 1
1 233 . 20 1 1 A 27 27 ARG C C 27 179.126 178.376 0.750 1
1 234 . 20 1 1 A 28 28 LEU N N 28 121.828 120.581 1.247 1
1 235 . 20 1 1 A 28 28 LEU H H 28 7.259 7.626 -0.367 1
1 236 . 20 1 1 A 28 28 LEU CA C 28 57.978 57.626 0.352 1
1 237 . 20 1 1 A 28 28 LEU HA H 28 3.366 2.444 0.922 1
1 238 . 20 1 1 A 28 28 LEU CB C 28 40.695 41.046 -0.351 1
1 251 . 20 1 1 A 28 28 LEU C C 28 177.702 177.958 -0.256 1
1 252 . 20 1 1 A 29 29 ASN N N 29 118.482 115.748 2.734 1
1 253 . 20 1 1 A 29 29 ASN H H 29 8.579 8.581 -0.002 1
1 254 . 20 1 1 A 29 29 ASN CA C 29 56.000 56.380 -0.380 1
1 255 . 20 1 1 A 29 29 ASN HA H 29 4.264 4.289 -0.025 1
1 256 . 20 1 1 A 29 29 ASN CB C 29 37.394 37.788 -0.394 1
1 262 . 20 1 1 A 29 29 ASN C C 29 178.386 178.342 0.044 1
1 263 . 20 1 1 A 30 30 ARG N N 30 119.681 118.803 0.878 1
1 264 . 20 1 1 A 30 30 ARG H H 30 7.752 8.112 -0.360 1
1 265 . 20 1 1 A 30 30 ARG CA C 30 58.915 59.579 -0.664 1
1 266 . 20 1 1 A 30 30 ARG HA H 30 4.000 3.971 0.029 1
1 267 . 20 1 1 A 30 30 ARG CB C 30 29.883 29.748 0.135 1
1 276 . 20 1 1 A 30 30 ARG C C 30 178.773 179.198 -0.425 1
1 277 . 20 1 1 A 31 31 HIS N N 31 119.307 120.313 -1.006 1
1 278 . 20 1 1 A 31 31 HIS H H 31 7.577 7.957 -0.380 1
1 279 . 20 1 1 A 31 31 HIS CA C 31 58.939 59.802 -0.863 1
1 280 . 20 1 1 A 31 31 HIS HA H 31 4.111 4.264 -0.153 1
1 281 . 20 1 1 A 31 31 HIS CB C 31 27.639 29.241 -1.602 1
1 288 . 20 1 1 A 31 31 HIS C C 31 176.358 177.853 -1.495 1
1 289 . 20 1 1 A 32 32 SER N N 32 113.043 113.981 -0.938 1
1 290 . 20 1 1 A 32 32 SER H H 32 8.442 8.202 0.240 1
1 291 . 20 1 1 A 32 32 SER CA C 32 62.184 60.873 1.311 1
1 292 . 20 1 1 A 32 32 SER HA H 32 3.814 4.189 -0.375 1
1 293 . 20 1 1 A 32 32 SER CB C 32 63.027 62.989 0.038 1
1 296 . 20 1 1 A 32 32 SER C C 32 175.520 175.657 -0.137 1
1 297 . 20 1 1 A 33 33 MET N N 33 118.839 119.009 -0.170 1
1 298 . 20 1 1 A 33 33 MET H H 33 7.002 7.809 -0.807 1
1 299 . 20 1 1 A 33 33 MET CA C 33 57.473 57.576 -0.103 1
1 300 . 20 1 1 A 33 33 MET HA H 33 4.176 4.486 -0.310 1
1 301 . 20 1 1 A 33 33 MET CB C 33 32.277 32.566 -0.289 1
1 311 . 20 1 1 A 33 33 MET C C 33 178.211 177.915 0.296 1
1 312 . 20 1 1 A 34 34 VAL N N 34 116.464 116.150 0.314 1
1 313 . 20 1 1 A 34 34 VAL H H 34 7.961 7.877 0.084 1
1 314 . 20 1 1 A 34 34 VAL CA C 34 63.927 65.393 -1.466 1
1 315 . 20 1 1 A 34 34 VAL HA H 34 3.845 3.870 -0.025 1
1 316 . 20 1 1 A 34 34 VAL CB C 34 30.987 31.102 -0.115 1
1 326 . 20 1 1 A 34 34 VAL C C 34 177.249 177.586 -0.337 1
1 327 . 20 1 1 A 35 35 HIS N N 35 116.579 119.987 -3.408 1
1 328 . 20 1 1 A 35 35 HIS H H 35 7.050 7.935 -0.885 1
1 329 . 20 1 1 A 35 35 HIS CA C 35 55.032 59.436 -4.404 1
1 330 . 20 1 1 A 35 35 HIS HA H 35 4.866 4.264 0.602 1
1 331 . 20 1 1 A 35 35 HIS CB C 35 28.597 30.307 -1.710 1
1 338 . 20 1 1 A 35 35 HIS C C 35 175.442 176.013 -0.571 1
1 339 . 20 1 1 A 36 36 THR N N 36 113.320 113.136 0.184 1
1 340 . 20 1 1 A 36 36 THR H H 36 7.617 7.510 0.107 1
1 341 . 20 1 1 A 36 36 THR CA C 36 62.572 63.599 -1.027 1
1 342 . 20 1 1 A 36 36 THR HA H 36 4.228 4.423 -0.195 1
1 343 . 20 1 1 A 36 36 THR CB C 36 69.623 70.362 -0.739 1
1 349 . 20 1 1 A 36 36 THR C C 36 174.335 174.638 -0.303 1
1 350 . 20 1 1 A 37 37 ALA N N 37 125.356 122.290 3.066 1
1 351 . 20 1 1 A 37 37 ALA H H 37 8.086 7.470 0.616 1
1 352 . 20 1 1 A 37 37 ALA CA C 37 52.577 51.258 1.319 1
1 353 . 20 1 1 A 37 37 ALA HA H 37 4.279 4.328 -0.049 1
1 354 . 20 1 1 A 37 37 ALA CB C 37 19.131 17.790 1.341 1
1 358 . 20 1 1 A 37 37 ALA C C 37 177.556 177.135 0.421 1
1 359 . 20 1 1 A 38 38 GLU N N 38 119.877 121.215 -1.338 1
1 360 . 20 1 1 A 38 38 GLU H H 38 8.105 8.227 -0.122 1
1 361 . 20 1 1 A 38 38 GLU CA C 38 56.451 56.682 -0.231 1
1 362 . 20 1 1 A 38 38 GLU HA H 38 4.163 4.240 -0.077 1
1 363 . 20 1 1 A 38 38 GLU CB C 38 30.357 29.708 0.649 1
1 369 . 20 1 1 A 38 38 GLU C C 38 176.160 176.460 -0.300 1
1 370 . 20 1 1 A 39 39 LYS N N 39 123.534 125.324 -1.790 1
1 371 . 20 1 1 A 39 39 LYS H H 39 8.259 8.466 -0.207 1
1 372 . 20 1 1 A 39 39 LYS CA C 39 54.110 54.269 -0.159 1
1 373 . 20 1 1 A 39 39 LYS HA H 39 4.547 4.523 0.024 1
1 374 . 20 1 1 A 39 39 LYS CB C 39 32.486 31.660 0.826 1
1 386 . 20 1 1 A 39 39 LYS C C 39 174.387 174.725 -0.338 1
1 387 . 20 1 1 A 40 40 PRO CA C 40 63.170 62.812 0.358 1
1 388 . 20 1 1 A 40 40 PRO HA H 40 4.405 4.756 -0.351 1
1 389 . 20 1 1 A 40 40 PRO CB C 40 32.153 31.512 0.641 1
1 398 . 20 1 1 A 41 41 SER N N 41 116.460 119.533 -3.073 1
1 399 . 20 1 1 A 41 41 SER H H 41 8.499 8.533 -0.034 1
1 400 . 20 1 1 A 42 42 GLY CA C 42 44.629 43.974 0.655 1
1 401 . 20 1 1 A 42 42 GLY HA2 H 42 4.100 4.264 -0.164 1
1 402 . 20 1 1 A 42 42 GLY HA3 H 42 4.051 4.264 -0.213 1
1 403 . 20 1 1 A 43 43 PRO CA C 43 63.255 62.487 0.768 1
1 404 . 20 1 1 A 43 43 PRO HA H 43 4.417 4.533 -0.116 1
1 405 . 20 1 1 A 43 43 PRO CB C 43 32.137 33.353 -1.216 1
1 414 . 20 1 1 A 44 44 SER N N 44 116.517 115.940 0.577 1
1 415 . 20 1 1 A 44 44 SER H H 44 8.453 8.734 -0.281 1
1 416 . 20 1 1 A 44 44 SER CB C 44 61.760 63.673 -1.913 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 1.119 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.211 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.614 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.468 1
5 1 1 1 "RMS(OBS, PRED)" HA 41 0.403 1
6 1 1 1 "RMS(OBS, PRED)" N 31 2.513 1
7 1 2 1 "RMS(OBS, PRED)" C 33 1.177 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.075 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.457 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.471 1
11 1 2 1 "RMS(OBS, PRED)" HA 41 0.403 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.780 1
13 1 3 1 "RMS(OBS, PRED)" C 33 1.236 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.090 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.182 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.478 1
17 1 3 1 "RMS(OBS, PRED)" HA 41 0.405 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.475 1
19 1 4 1 "RMS(OBS, PRED)" C 33 1.211 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.228 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.356 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.414 1
23 1 4 1 "RMS(OBS, PRED)" HA 41 0.457 1
24 1 4 1 "RMS(OBS, PRED)" N 31 2.393 1
25 1 5 1 "RMS(OBS, PRED)" C 33 1.228 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.169 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.483 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.499 1
29 1 5 1 "RMS(OBS, PRED)" HA 41 0.406 1
30 1 5 1 "RMS(OBS, PRED)" N 31 2.706 1
31 1 6 1 "RMS(OBS, PRED)" C 33 1.147 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.186 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.326 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.408 1
35 1 6 1 "RMS(OBS, PRED)" HA 41 0.423 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.507 1
37 1 7 1 "RMS(OBS, PRED)" C 33 1.143 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.255 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.564 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.403 1
41 1 7 1 "RMS(OBS, PRED)" HA 41 0.408 1
42 1 7 1 "RMS(OBS, PRED)" N 31 2.483 1
43 1 8 1 "RMS(OBS, PRED)" C 33 1.122 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.255 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.576 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.431 1
47 1 8 1 "RMS(OBS, PRED)" HA 41 0.441 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.421 1
49 1 9 1 "RMS(OBS, PRED)" C 33 1.099 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.161 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.487 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.488 1
53 1 9 1 "RMS(OBS, PRED)" HA 41 0.419 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.458 1
55 1 10 1 "RMS(OBS, PRED)" C 33 1.320 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.170 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.282 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.464 1
59 1 10 1 "RMS(OBS, PRED)" HA 41 0.400 1
60 1 10 1 "RMS(OBS, PRED)" N 31 2.379 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.172 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.168 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.350 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.451 1
65 1 11 1 "RMS(OBS, PRED)" HA 41 0.411 1
66 1 11 1 "RMS(OBS, PRED)" N 31 2.550 1
67 1 12 1 "RMS(OBS, PRED)" C 33 1.166 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.262 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.206 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.420 1
71 1 12 1 "RMS(OBS, PRED)" HA 41 0.415 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.619 1
73 1 13 1 "RMS(OBS, PRED)" C 33 1.216 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.069 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.267 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.437 1
77 1 13 1 "RMS(OBS, PRED)" HA 41 0.410 1
78 1 13 1 "RMS(OBS, PRED)" N 31 3.020 1
79 1 14 1 "RMS(OBS, PRED)" C 33 1.047 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.242 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.521 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.414 1
83 1 14 1 "RMS(OBS, PRED)" HA 41 0.436 1
84 1 14 1 "RMS(OBS, PRED)" N 31 2.524 1
85 1 15 1 "RMS(OBS, PRED)" C 33 1.017 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.081 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.363 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.409 1
89 1 15 1 "RMS(OBS, PRED)" HA 41 0.405 1
90 1 15 1 "RMS(OBS, PRED)" N 31 2.668 1
91 1 16 1 "RMS(OBS, PRED)" C 33 1.103 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.188 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.424 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.466 1
95 1 16 1 "RMS(OBS, PRED)" HA 41 0.438 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.560 1
97 1 17 1 "RMS(OBS, PRED)" C 33 1.062 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.170 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.666 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.411 1
101 1 17 1 "RMS(OBS, PRED)" HA 41 0.423 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.728 1
103 1 18 1 "RMS(OBS, PRED)" C 33 1.090 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.233 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.533 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.406 1
107 1 18 1 "RMS(OBS, PRED)" HA 41 0.439 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.532 1
109 1 19 1 "RMS(OBS, PRED)" C 33 1.115 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.205 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.445 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.433 1
113 1 19 1 "RMS(OBS, PRED)" HA 41 0.404 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.505 1
115 1 20 1 "RMS(OBS, PRED)" C 33 1.036 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.167 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.335 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.435 1
119 1 20 1 "RMS(OBS, PRED)" HA 41 0.403 1
120 1 20 1 "RMS(OBS, PRED)" N 31 2.377 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.476 45.405 0.071 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.020 4.085 -0.065 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.020 4.087 -0.067 2
1 4 . 1 1 A 7 7 GLY C C 7 174.552 172.940 1.612 2
1 5 . 1 1 A 8 8 THR N N 8 112.807 115.050 -2.243 2
1 6 . 1 1 A 8 8 THR H H 8 8.124 8.327 -0.203 2
1 7 . 1 1 A 8 8 THR CA C 8 61.837 60.513 1.324 2
1 8 . 1 1 A 8 8 THR HA H 8 4.310 4.824 -0.514 2
1 9 . 1 1 A 8 8 THR CB C 8 69.739 70.570 -0.831 2
1 15 . 1 1 A 8 8 THR C C 8 175.300 173.892 1.408 2
1 16 . 1 1 A 9 9 GLY N N 9 111.107 112.089 -0.982 2
1 17 . 1 1 A 9 9 GLY H H 9 8.427 8.413 0.014 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.215 45.153 0.062 2
1 19 . 1 1 A 9 9 GLY HA2 H 9 3.908 4.091 -0.183 2
1 20 . 1 1 A 9 9 GLY HA3 H 9 3.908 4.091 -0.183 2
1 21 . 1 1 A 9 9 GLY C C 9 174.012 173.221 0.791 2
1 22 . 1 1 A 10 10 GLU N N 10 120.447 120.797 -0.350 2
1 23 . 1 1 A 10 10 GLU H H 10 8.157 8.362 -0.205 2
1 24 . 1 1 A 10 10 GLU CA C 10 56.427 55.023 1.404 2
1 25 . 1 1 A 10 10 GLU HA H 10 4.192 4.770 -0.578 2
1 26 . 1 1 A 10 10 GLU CB C 10 30.579 32.032 -1.453 2
1 32 . 1 1 A 10 10 GLU C C 10 176.190 175.953 0.237 2
1 33 . 1 1 A 11 11 LYS N N 11 123.159 121.519 1.640 2
1 34 . 1 1 A 11 11 LYS H H 11 8.316 8.603 -0.287 2
1 35 . 1 1 A 11 11 LYS CA C 11 54.101 54.293 -0.192 2
1 36 . 1 1 A 11 11 LYS HA H 11 4.442 4.566 -0.124 2
1 37 . 1 1 A 11 11 LYS CB C 11 32.610 32.276 0.334 2
1 49 . 1 1 A 11 11 LYS C C 11 174.187 176.465 -2.278 2
1 50 . 1 1 A 12 12 PRO CA C 12 63.210 63.843 -0.633 2
1 51 . 1 1 A 12 12 PRO HA H 12 4.407 4.310 0.097 2
1 52 . 1 1 A 12 12 PRO CB C 12 32.232 31.236 0.996 2
1 61 . 1 1 A 12 12 PRO C C 12 176.447 175.694 0.753 2
1 62 . 1 1 A 13 13 PHE N N 13 119.708 118.510 1.197 2
1 63 . 1 1 A 13 13 PHE H H 13 8.425 7.596 0.829 2
1 64 . 1 1 A 13 13 PHE CA C 13 57.386 56.496 0.890 2
1 65 . 1 1 A 13 13 PHE HA H 13 4.561 5.310 -0.749 2
1 66 . 1 1 A 13 13 PHE CB C 13 40.677 44.191 -3.514 2
1 79 . 1 1 A 13 13 PHE C C 13 174.289 174.277 0.012 2
1 80 . 1 1 A 14 14 LYS N N 14 124.280 120.312 3.968 2
1 81 . 1 1 A 14 14 LYS H H 14 8.599 8.820 -0.221 2
1 82 . 1 1 A 14 14 LYS CA C 14 55.128 55.915 -0.787 2
1 83 . 1 1 A 14 14 LYS HA H 14 4.876 4.829 0.047 2
1 84 . 1 1 A 14 14 LYS CB C 14 35.217 36.779 -1.562 2
1 96 . 1 1 A 14 14 LYS C C 14 175.445 174.244 1.201 2
1 97 . 1 1 A 15 15 CYS N N 15 126.829 123.690 3.139 2
1 98 . 1 1 A 15 15 CYS H H 15 9.153 9.373 -0.220 2
1 99 . 1 1 A 15 15 CYS CA C 15 59.229 58.658 0.571 2
1 100 . 1 1 A 15 15 CYS HA H 15 4.498 4.802 -0.304 2
1 101 . 1 1 A 15 15 CYS CB C 15 29.719 29.479 0.240 2
1 104 . 1 1 A 15 15 CYS C C 15 176.812 174.476 2.336 2
1 105 . 1 1 A 16 16 ASP N N 16 131.329 123.293 8.036 2
1 106 . 1 1 A 16 16 ASP H H 16 9.242 8.993 0.249 2
1 107 . 1 1 A 16 16 ASP CA C 16 56.451 54.909 1.542 2
1 108 . 1 1 A 16 16 ASP HA H 16 4.402 4.872 -0.470 2
1 109 . 1 1 A 16 16 ASP CB C 16 40.727 42.356 -1.629 2
1 112 . 1 1 A 16 16 ASP C C 16 176.032 176.906 -0.874 2
1 113 . 1 1 A 17 17 ILE N N 17 121.275 118.420 2.855 2
1 114 . 1 1 A 17 17 ILE H H 17 8.635 7.672 0.963 2
1 115 . 1 1 A 17 17 ILE CA C 17 63.212 63.744 -0.532 2
1 116 . 1 1 A 17 17 ILE HA H 17 3.821 3.815 0.006 2
1 117 . 1 1 A 17 17 ILE CB C 17 38.137 38.176 -0.039 2
1 130 . 1 1 A 17 17 ILE C C 17 177.086 177.670 -0.584 2
1 131 . 1 1 A 18 18 CYS N N 18 115.895 114.958 0.937 2
1 132 . 1 1 A 18 18 CYS H H 18 8.067 7.914 0.153 2
1 133 . 1 1 A 18 18 CYS CA C 18 58.167 58.589 -0.422 2
1 134 . 1 1 A 18 18 CYS HA H 18 5.107 4.683 0.424 2
1 135 . 1 1 A 18 18 CYS CB C 18 32.381 29.660 2.721 2
1 138 . 1 1 A 18 18 CYS C C 18 176.599 176.253 0.346 2
1 139 . 1 1 A 19 19 GLY N N 19 113.203 111.217 1.986 2
1 140 . 1 1 A 19 19 GLY H H 19 8.004 8.141 -0.137 2
1 141 . 1 1 A 19 19 GLY CA C 19 46.439 45.876 0.563 2
1 142 . 1 1 A 19 19 GLY HA2 H 19 3.769 3.990 -0.221 2
1 143 . 1 1 A 19 19 GLY HA3 H 19 4.167 4.009 0.158 2
1 144 . 1 1 A 19 19 GLY C C 19 173.734 174.528 -0.794 2
1 145 . 1 1 A 20 20 LYS N N 20 122.356 121.323 1.033 2
1 146 . 1 1 A 20 20 LYS H H 20 7.822 7.414 0.408 2
1 147 . 1 1 A 20 20 LYS CA C 20 57.737 57.050 0.687 2
1 148 . 1 1 A 20 20 LYS HA H 20 4.045 4.208 -0.163 2
1 149 . 1 1 A 20 20 LYS CB C 20 33.982 33.617 0.365 2
1 161 . 1 1 A 20 20 LYS C C 20 174.356 176.615 -2.259 2
1 162 . 1 1 A 21 21 SER N N 21 114.802 117.497 -2.695 2
1 163 . 1 1 A 21 21 SER H H 21 7.870 8.254 -0.384 2
1 164 . 1 1 A 21 21 SER CA C 21 57.281 56.514 0.767 2
1 165 . 1 1 A 21 21 SER HA H 21 5.187 5.443 -0.256 2
1 166 . 1 1 A 21 21 SER CB C 21 65.661 65.521 0.140 2
1 169 . 1 1 A 21 21 SER C C 21 173.041 173.903 -0.862 2
1 170 . 1 1 A 22 22 PHE N N 22 118.519 117.978 0.541 2
1 171 . 1 1 A 22 22 PHE H H 22 8.795 8.871 -0.076 2
1 172 . 1 1 A 22 22 PHE CA C 22 58.014 56.439 1.575 2
1 173 . 1 1 A 22 22 PHE HA H 22 3.364 4.954 -1.590 2
1 174 . 1 1 A 22 22 PHE CB C 22 44.178 41.920 2.258 2
1 187 . 1 1 A 22 22 PHE C C 22 175.163 175.867 -0.704 2
1 188 . 1 1 A 23 23 CYS CA C 23 59.537 61.684 -2.147 2
1 189 . 1 1 A 23 23 CYS HA H 23 4.584 4.359 0.225 2
1 190 . 1 1 A 23 23 CYS CB C 23 27.668 27.654 0.014 2
1 193 . 1 1 A 23 23 CYS C C 23 174.498 175.183 -0.685 2
1 194 . 1 1 A 24 24 GLY N N 24 110.238 108.507 1.731 2
1 195 . 1 1 A 24 24 GLY H H 24 7.698 8.017 -0.319 2
1 196 . 1 1 A 24 24 GLY CA C 24 44.739 44.581 0.158 2
1 197 . 1 1 A 24 24 GLY HA2 H 24 4.165 4.146 0.019 2
1 198 . 1 1 A 24 24 GLY HA3 H 24 3.964 4.159 -0.195 2
1 199 . 1 1 A 24 24 GLY C C 24 172.746 174.186 -1.440 2
1 200 . 1 1 A 25 25 ARG N N 25 123.007 124.759 -1.752 2
1 201 . 1 1 A 25 25 ARG H H 25 8.249 7.655 0.594 2
1 202 . 1 1 A 25 25 ARG CA C 25 58.734 58.873 -0.139 2
1 203 . 1 1 A 25 25 ARG HA H 25 3.118 3.286 -0.168 2
1 204 . 1 1 A 25 25 ARG CB C 25 29.705 29.419 0.286 2
1 213 . 1 1 A 25 25 ARG C C 25 178.108 177.573 0.535 2
1 214 . 1 1 A 26 26 SER CA C 26 61.773 61.413 0.360 2
1 215 . 1 1 A 26 26 SER HA H 26 3.836 4.046 -0.210 2
1 216 . 1 1 A 26 26 SER CB C 26 61.872 62.889 -1.017 2
1 219 . 1 1 A 26 26 SER C C 26 177.394 176.466 0.928 2
1 220 . 1 1 A 27 27 ARG N N 27 121.358 120.880 0.478 2
1 221 . 1 1 A 27 27 ARG H H 27 7.581 7.574 0.007 2
1 222 . 1 1 A 27 27 ARG CA C 27 58.837 58.309 0.528 2
1 223 . 1 1 A 27 27 ARG HA H 27 3.924 4.114 -0.190 2
1 224 . 1 1 A 27 27 ARG CB C 27 29.724 30.560 -0.836 2
1 233 . 1 1 A 27 27 ARG C C 27 179.126 178.197 0.929 2
1 234 . 1 1 A 28 28 LEU N N 28 121.828 120.486 1.342 2
1 235 . 1 1 A 28 28 LEU H H 28 7.259 7.512 -0.253 2
1 236 . 1 1 A 28 28 LEU CA C 28 57.978 57.907 0.071 2
1 237 . 1 1 A 28 28 LEU HA H 28 3.366 2.430 0.936 2
1 238 . 1 1 A 28 28 LEU CB C 28 40.695 41.196 -0.501 2
1 251 . 1 1 A 28 28 LEU C C 28 177.702 178.010 -0.308 2
1 252 . 1 1 A 29 29 ASN N N 29 118.482 115.778 2.704 2
1 253 . 1 1 A 29 29 ASN H H 29 8.579 8.447 0.132 2
1 254 . 1 1 A 29 29 ASN CA C 29 56.000 56.321 -0.321 2
1 255 . 1 1 A 29 29 ASN HA H 29 4.264 4.284 -0.020 2
1 256 . 1 1 A 29 29 ASN CB C 29 37.394 37.784 -0.390 2
1 262 . 1 1 A 29 29 ASN C C 29 178.386 178.328 0.058 2
1 263 . 1 1 A 30 30 ARG N N 30 119.681 118.659 1.022 2
1 264 . 1 1 A 30 30 ARG H H 30 7.752 8.037 -0.285 2
1 265 . 1 1 A 30 30 ARG CA C 30 58.915 59.609 -0.694 2
1 266 . 1 1 A 30 30 ARG HA H 30 4.000 3.971 0.029 2
1 267 . 1 1 A 30 30 ARG CB C 30 29.883 29.658 0.225 2
1 276 . 1 1 A 30 30 ARG C C 30 178.773 179.188 -0.415 2
1 277 . 1 1 A 31 31 HIS N N 31 119.307 120.361 -1.054 2
1 278 . 1 1 A 31 31 HIS H H 31 7.577 8.012 -0.435 2
1 279 . 1 1 A 31 31 HIS CA C 31 58.939 59.791 -0.852 2
1 280 . 1 1 A 31 31 HIS HA H 31 4.111 4.257 -0.146 2
1 281 . 1 1 A 31 31 HIS CB C 31 27.639 29.196 -1.557 2
1 288 . 1 1 A 31 31 HIS C C 31 176.358 177.854 -1.496 2
1 289 . 1 1 A 32 32 SER N N 32 113.043 113.843 -0.800 2
1 290 . 1 1 A 32 32 SER H H 32 8.442 8.305 0.137 2
1 291 . 1 1 A 32 32 SER CA C 32 62.184 60.923 1.261 2
1 292 . 1 1 A 32 32 SER HA H 32 3.814 4.216 -0.402 2
1 293 . 1 1 A 32 32 SER CB C 32 63.027 63.012 0.015 2
1 296 . 1 1 A 32 32 SER C C 32 175.520 175.698 -0.178 2
1 297 . 1 1 A 33 33 MET N N 33 118.839 119.003 -0.164 2
1 298 . 1 1 A 33 33 MET H H 33 7.002 7.814 -0.811 2
1 299 . 1 1 A 33 33 MET CA C 33 57.473 57.324 0.149 2
1 300 . 1 1 A 33 33 MET HA H 33 4.176 4.489 -0.313 2
1 301 . 1 1 A 33 33 MET CB C 33 32.277 32.535 -0.258 2
1 311 . 1 1 A 33 33 MET C C 33 178.211 177.860 0.351 2
1 312 . 1 1 A 34 34 VAL N N 34 116.464 116.097 0.367 2
1 313 . 1 1 A 34 34 VAL H H 34 7.961 7.803 0.158 2
1 314 . 1 1 A 34 34 VAL CA C 34 63.927 65.328 -1.401 2
1 315 . 1 1 A 34 34 VAL HA H 34 3.845 3.861 -0.016 2
1 316 . 1 1 A 34 34 VAL CB C 34 30.987 31.117 -0.130 2
1 326 . 1 1 A 34 34 VAL C C 34 177.249 177.393 -0.144 2
1 327 . 1 1 A 35 35 HIS N N 35 116.579 119.830 -3.251 2
1 328 . 1 1 A 35 35 HIS H H 35 7.050 7.910 -0.860 2
1 329 . 1 1 A 35 35 HIS CA C 35 55.032 59.055 -4.023 2
1 330 . 1 1 A 35 35 HIS HA H 35 4.866 4.333 0.533 2
1 331 . 1 1 A 35 35 HIS CB C 35 28.597 30.381 -1.784 2
1 338 . 1 1 A 35 35 HIS C C 35 175.442 175.709 -0.267 2
1 339 . 1 1 A 36 36 THR N N 36 113.320 112.966 0.354 2
1 340 . 1 1 A 36 36 THR H H 36 7.617 7.563 0.054 2
1 341 . 1 1 A 36 36 THR CA C 36 62.572 62.292 0.280 2
1 342 . 1 1 A 36 36 THR HA H 36 4.228 4.454 -0.226 2
1 343 . 1 1 A 36 36 THR CB C 36 69.623 69.887 -0.264 2
1 349 . 1 1 A 36 36 THR C C 36 174.335 174.968 -0.633 2
1 350 . 1 1 A 37 37 ALA N N 37 125.356 123.498 1.858 2
1 351 . 1 1 A 37 37 ALA H H 37 8.086 7.627 0.459 2
1 352 . 1 1 A 37 37 ALA CA C 37 52.577 51.646 0.931 2
1 353 . 1 1 A 37 37 ALA HA H 37 4.279 4.400 -0.121 2
1 354 . 1 1 A 37 37 ALA CB C 37 19.131 18.380 0.751 2
1 358 . 1 1 A 37 37 ALA C C 37 177.556 176.380 1.176 2
1 359 . 1 1 A 38 38 GLU N N 38 119.877 118.647 1.230 2
1 360 . 1 1 A 38 38 GLU H H 38 8.105 7.968 0.137 2
1 361 . 1 1 A 38 38 GLU CA C 38 56.451 55.278 1.173 2
1 362 . 1 1 A 38 38 GLU HA H 38 4.163 4.747 -0.584 2
1 363 . 1 1 A 38 38 GLU CB C 38 30.357 31.564 -1.207 2
1 369 . 1 1 A 38 38 GLU C C 38 176.160 175.490 0.670 2
1 370 . 1 1 A 39 39 LYS N N 39 123.534 123.689 -0.155 2
1 371 . 1 1 A 39 39 LYS H H 39 8.259 8.464 -0.205 2
1 372 . 1 1 A 39 39 LYS CA C 39 54.110 54.331 -0.221 2
1 373 . 1 1 A 39 39 LYS HA H 39 4.547 4.485 0.062 2
1 374 . 1 1 A 39 39 LYS CB C 39 32.486 32.312 0.174 2
1 386 . 1 1 A 39 39 LYS C C 39 174.387 175.709 -1.322 2
1 387 . 1 1 A 40 40 PRO CA C 40 63.170 63.464 -0.294 2
1 388 . 1 1 A 40 40 PRO HA H 40 4.405 4.561 -0.156 2
1 389 . 1 1 A 40 40 PRO CB C 40 32.153 31.681 0.472 2
1 398 . 1 1 A 41 41 SER N N 41 116.460 115.057 1.403 2
1 399 . 1 1 A 41 41 SER H H 41 8.499 8.194 0.305 2
1 400 . 1 1 A 42 42 GLY CA C 42 44.629 44.892 -0.263 2
1 401 . 1 1 A 42 42 GLY HA2 H 42 4.100 4.115 -0.015 2
1 402 . 1 1 A 42 42 GLY HA3 H 42 4.051 4.115 -0.064 2
1 403 . 1 1 A 43 43 PRO CA C 43 63.255 62.767 0.488 2
1 404 . 1 1 A 43 43 PRO HA H 43 4.417 4.626 -0.209 2
1 405 . 1 1 A 43 43 PRO CB C 43 32.137 32.054 0.083 2
1 414 . 1 1 A 44 44 SER N N 44 116.517 116.872 -0.355 2
1 415 . 1 1 A 44 44 SER H H 44 8.453 8.509 -0.056 2
1 416 . 1 1 A 44 44 SER CB C 44 61.760 64.322 -2.562 2
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