data_10185_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10185
_Entry.PDB_ID 2YTF
_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 45.428 45.709 -0.281 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.049 4.121 -0.072 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.049 4.121 -0.072 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.518 172.384 2.134 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.808 119.175 -6.367 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.145 8.859 -0.714 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.842 60.272 1.570 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.361 5.033 -0.672 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.802 71.325 -1.523 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.285 174.359 0.926 1
1 16 . 1 1 1 A 9 9 GLY N N 9 110.918 115.069 -4.151 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.318 8.541 -0.223 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.316 44.545 0.771 1
1 19 . 1 1 1 A 9 9 GLY HA2 H 9 3.961 3.997 -0.036 1
1 20 . 1 1 1 A 9 9 GLY HA3 H 9 3.961 3.997 -0.036 1
1 21 . 1 1 1 A 10 10 GLU N N 10 120.269 117.195 3.074 1
1 22 . 1 1 1 A 10 10 GLU H H 10 8.223 9.030 -0.807 1
1 23 . 1 1 1 A 10 10 GLU CA C 10 56.774 54.115 2.659 1
1 24 . 1 1 1 A 10 10 GLU HA H 10 4.196 5.112 -0.916 1
1 25 . 1 1 1 A 10 10 GLU CB C 10 30.450 33.673 -3.223 1
1 31 . 1 1 1 A 10 10 GLU C C 10 176.312 174.937 1.375 1
1 32 . 1 1 1 A 11 11 LYS N N 11 121.676 120.716 0.960 1
1 33 . 1 1 1 A 11 11 LYS H H 11 8.287 8.678 -0.391 1
1 34 . 1 1 1 A 11 11 LYS CA C 11 53.916 53.429 0.487 1
1 35 . 1 1 1 A 11 11 LYS HA H 11 4.497 4.658 -0.161 1
1 36 . 1 1 1 A 11 11 LYS CB C 11 32.952 32.801 0.151 1
1 48 . 1 1 1 A 11 11 LYS C C 11 174.005 176.356 -2.351 1
1 49 . 1 1 1 A 12 12 PRO CA C 12 63.420 64.194 -0.774 1
1 50 . 1 1 1 A 12 12 PRO HA H 12 4.272 4.230 0.042 1
1 51 . 1 1 1 A 12 12 PRO CB C 12 32.270 31.292 0.978 1
1 60 . 1 1 1 A 12 12 PRO C C 12 176.312 175.863 0.449 1
1 61 . 1 1 1 A 13 13 PHE N N 13 118.211 117.987 0.224 1
1 62 . 1 1 1 A 13 13 PHE H H 13 8.097 7.452 0.645 1
1 63 . 1 1 1 A 13 13 PHE CA C 13 57.267 56.480 0.787 1
1 64 . 1 1 1 A 13 13 PHE HA H 13 4.640 5.288 -0.648 1
1 65 . 1 1 1 A 13 13 PHE CB C 13 39.302 42.510 -3.208 1
1 78 . 1 1 1 A 13 13 PHE C C 13 174.594 174.215 0.379 1
1 79 . 1 1 1 A 14 14 GLU N N 14 124.060 123.814 0.246 1
1 80 . 1 1 1 A 14 14 GLU H H 14 8.568 8.993 -0.425 1
1 81 . 1 1 1 A 14 14 GLU CA C 14 55.291 54.721 0.570 1
1 82 . 1 1 1 A 14 14 GLU HA H 14 4.849 5.692 -0.843 1
1 83 . 1 1 1 A 14 14 GLU CB C 14 32.713 33.522 -0.809 1
1 89 . 1 1 1 A 14 14 GLU C C 14 175.419 174.941 0.478 1
1 90 . 1 1 1 A 15 15 CYS N N 15 126.818 125.190 1.628 1
1 91 . 1 1 1 A 15 15 CYS H H 15 9.101 9.365 -0.264 1
1 92 . 1 1 1 A 15 15 CYS CA C 15 59.631 59.228 0.403 1
1 93 . 1 1 1 A 15 15 CYS HA H 15 4.558 4.652 -0.094 1
1 94 . 1 1 1 A 15 15 CYS CB C 15 29.865 28.866 0.999 1
1 97 . 1 1 1 A 15 15 CYS C C 15 176.885 174.612 2.273 1
1 98 . 1 1 1 A 16 16 SER N N 16 112.930 119.861 -6.931 1
1 99 . 1 1 1 A 16 16 SER H H 16 9.124 8.888 0.236 1
1 100 . 1 1 1 A 16 16 SER CA C 16 60.826 59.075 1.751 1
1 101 . 1 1 1 A 16 16 SER HA H 16 4.356 4.974 -0.618 1
1 102 . 1 1 1 A 16 16 SER CB C 16 63.144 65.162 -2.018 1
1 105 . 1 1 1 A 16 16 SER C C 16 174.769 176.057 -1.288 1
1 106 . 1 1 1 A 17 17 GLU N N 17 123.223 120.578 2.645 1
1 107 . 1 1 1 A 17 17 GLU H H 17 8.865 8.155 0.710 1
1 108 . 1 1 1 A 17 17 GLU CA C 17 57.918 58.475 -0.557 1
1 109 . 1 1 1 A 17 17 GLU HA H 17 4.287 4.155 0.132 1
1 110 . 1 1 1 A 17 17 GLU CB C 17 29.917 30.332 -0.415 1
1 116 . 1 1 1 A 17 17 GLU C C 17 176.999 178.215 -1.216 1
1 117 . 1 1 1 A 18 18 CYS N N 18 116.163 115.107 1.056 1
1 118 . 1 1 1 A 18 18 CYS H H 18 7.875 7.713 0.162 1
1 119 . 1 1 1 A 18 18 CYS CA C 18 58.661 58.967 -0.306 1
1 120 . 1 1 1 A 18 18 CYS HA H 18 5.031 4.437 0.594 1
1 121 . 1 1 1 A 18 18 CYS CB C 18 31.745 28.788 2.957 1
1 124 . 1 1 1 A 18 18 CYS C C 18 174.845 174.434 0.411 1
1 125 . 1 1 1 A 19 19 GLN N N 19 116.345 116.519 -0.174 1
1 126 . 1 1 1 A 19 19 GLN H H 19 8.133 7.937 0.196 1
1 127 . 1 1 1 A 19 19 GLN CA C 19 58.722 57.004 1.718 1
1 128 . 1 1 1 A 19 19 GLN HA H 19 4.117 3.919 0.198 1
1 129 . 1 1 1 A 19 19 GLN CB C 19 26.290 26.188 0.102 1
1 138 . 1 1 1 A 19 19 GLN C C 19 174.950 174.325 0.625 1
1 139 . 1 1 1 A 20 20 LYS N N 20 121.633 119.362 2.271 1
1 140 . 1 1 1 A 20 20 LYS H H 20 7.934 7.983 -0.049 1
1 141 . 1 1 1 A 20 20 LYS CA C 20 57.862 56.143 1.719 1
1 142 . 1 1 1 A 20 20 LYS HA H 20 4.083 4.504 -0.421 1
1 143 . 1 1 1 A 20 20 LYS CB C 20 34.143 33.922 0.221 1
1 155 . 1 1 1 A 20 20 LYS C C 20 173.968 175.656 -1.688 1
1 156 . 1 1 1 A 21 21 ALA N N 21 123.578 126.509 -2.931 1
1 157 . 1 1 1 A 21 21 ALA H H 21 7.807 8.418 -0.611 1
1 158 . 1 1 1 A 21 21 ALA CA C 21 50.538 51.336 -0.798 1
1 159 . 1 1 1 A 21 21 ALA HA H 21 5.067 5.109 -0.042 1
1 160 . 1 1 1 A 21 21 ALA CB C 21 22.260 20.815 1.445 1
1 164 . 1 1 1 A 21 21 ALA C C 21 176.143 176.850 -0.707 1
1 165 . 1 1 1 A 22 22 PHE N N 22 116.532 118.103 -1.571 1
1 166 . 1 1 1 A 22 22 PHE H H 22 8.637 8.778 -0.141 1
1 167 . 1 1 1 A 22 22 PHE CA C 22 57.465 56.431 1.034 1
1 168 . 1 1 1 A 22 22 PHE HA H 22 4.665 4.963 -0.298 1
1 169 . 1 1 1 A 22 22 PHE CB C 22 43.945 43.654 0.291 1
1 182 . 1 1 1 A 22 22 PHE C C 22 175.082 175.627 -0.545 1
1 183 . 1 1 1 A 23 23 ASN CA C 23 55.192 55.297 -0.105 1
1 184 . 1 1 1 A 23 23 ASN HA H 23 4.880 4.839 0.041 1
1 185 . 1 1 1 A 23 23 ASN CB C 23 39.136 38.777 0.359 1
1 191 . 1 1 1 A 23 23 ASN C C 23 175.375 175.827 -0.452 1
1 192 . 1 1 1 A 24 24 THR N N 24 120.293 110.435 9.858 1
1 193 . 1 1 1 A 24 24 THR H H 24 7.421 7.904 -0.483 1
1 194 . 1 1 1 A 24 24 THR CA C 24 58.831 59.299 -0.468 1
1 195 . 1 1 1 A 24 24 THR HA H 24 4.637 4.633 0.004 1
1 196 . 1 1 1 A 24 24 THR CB C 24 72.609 71.185 1.424 1
1 202 . 1 1 1 A 24 24 THR C C 24 173.507 174.960 -1.453 1
1 203 . 1 1 1 A 25 25 LYS N N 25 124.488 122.761 1.727 1
1 204 . 1 1 1 A 25 25 LYS H H 25 8.175 8.305 -0.130 1
1 205 . 1 1 1 A 25 25 LYS CA C 25 58.622 59.834 -1.212 1
1 206 . 1 1 1 A 25 25 LYS HA H 25 3.105 3.133 -0.028 1
1 207 . 1 1 1 A 25 25 LYS CB C 25 31.613 31.521 0.092 1
1 219 . 1 1 1 A 25 25 LYS C C 25 178.363 177.990 0.373 1
1 220 . 1 1 1 A 26 26 SER N N 26 112.511 116.860 -4.349 1
1 221 . 1 1 1 A 26 26 SER H H 26 8.248 7.879 0.369 1
1 222 . 1 1 1 A 26 26 SER CA C 26 61.540 61.830 -0.290 1
1 223 . 1 1 1 A 26 26 SER HA H 26 3.962 4.024 -0.062 1
1 224 . 1 1 1 A 26 26 SER CB C 26 62.203 62.579 -0.376 1
1 227 . 1 1 1 A 26 26 SER C C 26 176.506 176.765 -0.259 1
1 228 . 1 1 1 A 27 27 ASN N N 27 118.519 120.849 -2.330 1
1 229 . 1 1 1 A 27 27 ASN H H 27 7.575 8.128 -0.553 1
1 230 . 1 1 1 A 27 27 ASN CA C 27 55.248 56.349 -1.101 1
1 231 . 1 1 1 A 27 27 ASN HA H 27 4.432 4.506 -0.074 1
1 232 . 1 1 1 A 27 27 ASN CB C 27 37.796 38.303 -0.507 1
1 238 . 1 1 1 A 27 27 ASN C C 27 177.845 177.702 0.143 1
1 239 . 1 1 1 A 28 28 LEU N N 28 123.404 120.632 2.772 1
1 240 . 1 1 1 A 28 28 LEU H H 28 7.347 7.349 -0.002 1
1 241 . 1 1 1 A 28 28 LEU CA C 28 58.281 57.870 0.411 1
1 242 . 1 1 1 A 28 28 LEU HA H 28 3.278 2.807 0.471 1
1 243 . 1 1 1 A 28 28 LEU CB C 28 40.486 41.538 -1.052 1
1 256 . 1 1 1 A 28 28 LEU C C 28 177.276 178.534 -1.258 1
1 257 . 1 1 1 A 29 29 ILE N N 29 120.611 119.966 0.645 1
1 258 . 1 1 1 A 29 29 ILE H H 29 8.285 8.380 -0.095 1
1 259 . 1 1 1 A 29 29 ILE CA C 29 65.036 65.338 -0.302 1
1 260 . 1 1 1 A 29 29 ILE HA H 29 3.727 3.528 0.199 1
1 261 . 1 1 1 A 29 29 ILE CB C 29 37.616 37.816 -0.200 1
1 274 . 1 1 1 A 29 29 ILE C C 29 179.149 178.167 0.982 1
1 275 . 1 1 1 A 30 30 VAL N N 30 119.090 120.214 -1.124 1
1 276 . 1 1 1 A 30 30 VAL H H 30 7.578 7.949 -0.371 1
1 277 . 1 1 1 A 30 30 VAL CA C 30 66.753 66.438 0.315 1
1 278 . 1 1 1 A 30 30 VAL HA H 30 3.469 3.580 -0.111 1
1 279 . 1 1 1 A 30 30 VAL CB C 30 31.959 31.382 0.577 1
1 289 . 1 1 1 A 30 30 VAL C C 30 179.079 177.961 1.118 1
1 290 . 1 1 1 A 31 31 HIS N N 31 119.088 119.701 -0.613 1
1 291 . 1 1 1 A 31 31 HIS H H 31 7.441 7.914 -0.473 1
1 292 . 1 1 1 A 31 31 HIS CA C 31 59.210 58.936 0.274 1
1 293 . 1 1 1 A 31 31 HIS HA H 31 4.197 4.190 0.007 1
1 294 . 1 1 1 A 31 31 HIS CB C 31 28.110 29.457 -1.347 1
1 301 . 1 1 1 A 31 31 HIS C C 31 178.149 177.326 0.823 1
1 302 . 1 1 1 A 32 32 GLN N N 32 120.672 118.767 1.905 1
1 303 . 1 1 1 A 32 32 GLN H H 32 8.973 7.859 1.114 1
1 304 . 1 1 1 A 32 32 GLN CA C 32 59.954 59.395 0.559 1
1 305 . 1 1 1 A 32 32 GLN HA H 32 3.620 3.730 -0.110 1
1 306 . 1 1 1 A 32 32 GLN CB C 32 28.132 28.360 -0.228 1
1 315 . 1 1 1 A 32 32 GLN C C 32 177.938 178.684 -0.746 1
1 316 . 1 1 1 A 33 33 ARG N N 33 117.768 120.043 -2.275 1
1 317 . 1 1 1 A 33 33 ARG H H 33 7.323 7.414 -0.091 1
1 318 . 1 1 1 A 33 33 ARG CA C 33 58.576 59.483 -0.907 1
1 319 . 1 1 1 A 33 33 ARG HA H 33 4.171 3.942 0.229 1
1 320 . 1 1 1 A 33 33 ARG CB C 33 30.016 30.008 0.008 1
1 329 . 1 1 1 A 33 33 ARG C C 33 178.202 178.911 -0.709 1
1 330 . 1 1 1 A 34 34 THR N N 34 109.590 114.719 -5.129 1
1 331 . 1 1 1 A 34 34 THR H H 34 7.812 8.045 -0.233 1
1 332 . 1 1 1 A 34 34 THR CA C 34 63.867 64.600 -0.733 1
1 333 . 1 1 1 A 34 34 THR HA H 34 4.113 3.835 0.278 1
1 334 . 1 1 1 A 34 34 THR CB C 34 69.435 68.923 0.512 1
1 340 . 1 1 1 A 34 34 THR C C 34 175.584 176.107 -0.523 1
1 341 . 1 1 1 A 35 35 HIS N N 35 118.698 117.126 1.572 1
1 342 . 1 1 1 A 35 35 HIS H H 35 7.187 7.436 -0.249 1
1 343 . 1 1 1 A 35 35 HIS CA C 35 55.498 54.447 1.051 1
1 344 . 1 1 1 A 35 35 HIS HA H 35 4.864 4.630 0.234 1
1 345 . 1 1 1 A 35 35 HIS CB C 35 28.676 27.255 1.421 1
1 352 . 1 1 1 A 35 35 HIS C C 35 175.584 173.494 2.090 1
1 353 . 1 1 1 A 36 36 THR N N 36 112.399 110.906 1.493 1
1 354 . 1 1 1 A 36 36 THR H H 36 7.811 8.526 -0.715 1
1 355 . 1 1 1 A 36 36 THR CA C 36 62.362 59.580 2.782 1
1 356 . 1 1 1 A 36 36 THR HA H 36 4.358 4.779 -0.421 1
1 357 . 1 1 1 A 36 36 THR CB C 36 69.845 71.709 -1.864 1
1 363 . 1 1 1 A 36 36 THR C C 36 175.377 174.168 1.209 1
1 364 . 1 1 1 A 37 37 GLY N N 37 111.020 110.165 0.855 1
1 365 . 1 1 1 A 37 37 GLY H H 37 8.446 8.443 0.003 1
1 366 . 1 1 1 A 37 37 GLY CA C 37 45.083 44.948 0.135 1
1 367 . 1 1 1 A 37 37 GLY HA2 H 37 3.985 4.056 -0.071 1
1 368 . 1 1 1 A 37 37 GLY HA3 H 37 3.985 4.056 -0.071 1
1 369 . 1 1 1 A 37 37 GLY C C 37 174.005 172.813 1.192 1
1 370 . 1 1 1 A 38 38 GLU N N 38 120.659 120.202 0.457 1
1 371 . 1 1 1 A 38 38 GLU H H 38 8.132 8.462 -0.330 1
1 372 . 1 1 1 A 38 38 GLU CA C 38 56.441 54.535 1.906 1
1 373 . 1 1 1 A 38 38 GLU HA H 38 4.240 4.927 -0.687 1
1 374 . 1 1 1 A 38 38 GLU CB C 38 30.497 33.308 -2.811 1
1 380 . 1 1 1 A 38 38 GLU C C 38 176.239 176.062 0.177 1
1 381 . 1 1 1 A 39 39 LYS N N 39 123.933 119.850 4.083 1
1 382 . 1 1 1 A 39 39 LYS H H 39 8.428 8.832 -0.404 1
1 383 . 1 1 1 A 39 39 LYS CA C 39 54.087 56.851 -2.764 1
1 384 . 1 1 1 A 39 39 LYS HA H 39 4.601 3.838 0.763 1
1 385 . 1 1 1 A 39 39 LYS CB C 39 32.513 30.303 2.210 1
1 397 . 1 1 1 A 39 39 LYS C C 39 174.467 176.598 -2.131 1
1 398 . 1 1 1 A 40 40 PRO CA C 40 63.220 65.668 -2.448 1
1 399 . 1 1 1 A 40 40 PRO HA H 40 4.446 4.310 0.136 1
1 400 . 1 1 1 A 40 40 PRO CB C 40 32.146 31.262 0.884 1
1 409 . 1 1 1 A 40 40 PRO C C 40 176.972 178.547 -1.575 1
1 410 . 1 1 1 A 41 41 SER N N 41 116.493 111.768 4.725 1
1 411 . 1 1 1 A 41 41 SER H H 41 8.462 7.902 0.560 1
1 412 . 1 1 1 A 41 41 SER CA C 41 58.320 59.395 -1.075 1
1 413 . 1 1 1 A 41 41 SER HA H 41 4.470 4.554 -0.084 1
1 414 . 1 1 1 A 41 41 SER CB C 41 64.163 65.234 -1.071 1
1 417 . 1 1 1 A 41 41 SER C C 41 174.635 174.543 0.092 1
1 418 . 1 1 1 A 42 42 GLY CA C 42 44.675 45.265 -0.590 1
1 419 . 1 1 1 A 42 42 GLY HA2 H 42 4.151 4.036 0.115 1
1 420 . 1 1 1 A 42 42 GLY HA3 H 42 4.095 4.037 0.058 1
1 421 . 1 1 1 A 43 43 PRO CA C 43 63.213 62.572 0.641 1
1 422 . 1 1 1 A 43 43 PRO HA H 43 4.476 4.613 -0.137 1
1 423 . 1 1 1 A 43 43 PRO CB C 43 32.217 32.851 -0.634 1
1 432 . 1 1 1 A 45 45 SER CA C 45 58.359 59.529 -1.170 1
1 433 . 1 1 1 A 45 45 SER HA H 45 4.496 4.134 0.362 1
1 434 . 1 1 1 A 45 45 SER CB C 45 64.036 61.629 2.407 1
1 437 . 1 1 1 A 45 45 SER C C 45 173.895 174.523 -0.628 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.428 47.063 -1.635 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.049 3.861 0.188 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.049 3.861 0.188 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.518 174.574 -0.056 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.808 111.297 1.511 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.145 7.768 0.377 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.842 61.857 -0.015 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.361 4.372 -0.011 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.802 70.091 -0.289 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.285 173.873 1.412 1
1 16 . 2 1 1 A 9 9 GLY N N 9 110.918 108.488 2.430 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.318 8.459 -0.141 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.316 44.983 0.333 1
1 19 . 2 1 1 A 9 9 GLY HA2 H 9 3.961 4.145 -0.184 1
1 20 . 2 1 1 A 9 9 GLY HA3 H 9 3.961 4.149 -0.188 1
1 21 . 2 1 1 A 10 10 GLU N N 10 120.269 124.696 -4.427 1
1 22 . 2 1 1 A 10 10 GLU H H 10 8.223 8.902 -0.679 1
1 23 . 2 1 1 A 10 10 GLU CA C 10 56.774 55.436 1.338 1
1 24 . 2 1 1 A 10 10 GLU HA H 10 4.196 4.926 -0.730 1
1 25 . 2 1 1 A 10 10 GLU CB C 10 30.450 32.963 -2.513 1
1 31 . 2 1 1 A 10 10 GLU C C 10 176.312 175.359 0.953 1
1 32 . 2 1 1 A 11 11 LYS N N 11 121.676 127.260 -5.584 1
1 33 . 2 1 1 A 11 11 LYS H H 11 8.287 8.750 -0.463 1
1 34 . 2 1 1 A 11 11 LYS CA C 11 53.916 53.967 -0.051 1
1 35 . 2 1 1 A 11 11 LYS HA H 11 4.497 4.629 -0.132 1
1 36 . 2 1 1 A 11 11 LYS CB C 11 32.952 32.417 0.535 1
1 48 . 2 1 1 A 11 11 LYS C C 11 174.005 176.642 -2.637 1
1 49 . 2 1 1 A 12 12 PRO CA C 12 63.420 64.942 -1.522 1
1 50 . 2 1 1 A 12 12 PRO HA H 12 4.272 4.258 0.014 1
1 51 . 2 1 1 A 12 12 PRO CB C 12 32.270 31.637 0.633 1
1 60 . 2 1 1 A 12 12 PRO C C 12 176.312 176.118 0.194 1
1 61 . 2 1 1 A 13 13 PHE N N 13 118.211 118.163 0.048 1
1 62 . 2 1 1 A 13 13 PHE H H 13 8.097 7.858 0.239 1
1 63 . 2 1 1 A 13 13 PHE CA C 13 57.267 57.497 -0.230 1
1 64 . 2 1 1 A 13 13 PHE HA H 13 4.640 5.002 -0.362 1
1 65 . 2 1 1 A 13 13 PHE CB C 13 39.302 40.776 -1.474 1
1 78 . 2 1 1 A 13 13 PHE C C 13 174.594 174.779 -0.185 1
1 79 . 2 1 1 A 14 14 GLU N N 14 124.060 122.501 1.559 1
1 80 . 2 1 1 A 14 14 GLU H H 14 8.568 8.969 -0.401 1
1 81 . 2 1 1 A 14 14 GLU CA C 14 55.291 55.038 0.253 1
1 82 . 2 1 1 A 14 14 GLU HA H 14 4.849 5.570 -0.721 1
1 83 . 2 1 1 A 14 14 GLU CB C 14 32.713 33.473 -0.760 1
1 89 . 2 1 1 A 14 14 GLU C C 14 175.419 174.895 0.524 1
1 90 . 2 1 1 A 15 15 CYS N N 15 126.818 125.461 1.357 1
1 91 . 2 1 1 A 15 15 CYS H H 15 9.101 9.189 -0.088 1
1 92 . 2 1 1 A 15 15 CYS CA C 15 59.631 59.553 0.078 1
1 93 . 2 1 1 A 15 15 CYS HA H 15 4.558 4.553 0.005 1
1 94 . 2 1 1 A 15 15 CYS CB C 15 29.865 28.928 0.937 1
1 97 . 2 1 1 A 15 15 CYS C C 15 176.885 174.826 2.059 1
1 98 . 2 1 1 A 16 16 SER N N 16 112.930 118.813 -5.883 1
1 99 . 2 1 1 A 16 16 SER H H 16 9.124 8.897 0.227 1
1 100 . 2 1 1 A 16 16 SER CA C 16 60.826 59.518 1.308 1
1 101 . 2 1 1 A 16 16 SER HA H 16 4.356 4.654 -0.298 1
1 102 . 2 1 1 A 16 16 SER CB C 16 63.144 64.581 -1.437 1
1 105 . 2 1 1 A 16 16 SER C C 16 174.769 175.031 -0.262 1
1 106 . 2 1 1 A 17 17 GLU N N 17 123.223 120.812 2.411 1
1 107 . 2 1 1 A 17 17 GLU H H 17 8.865 8.139 0.726 1
1 108 . 2 1 1 A 17 17 GLU CA C 17 57.918 58.666 -0.748 1
1 109 . 2 1 1 A 17 17 GLU HA H 17 4.287 4.044 0.243 1
1 110 . 2 1 1 A 17 17 GLU CB C 17 29.917 29.864 0.053 1
1 116 . 2 1 1 A 17 17 GLU C C 17 176.999 178.242 -1.243 1
1 117 . 2 1 1 A 18 18 CYS N N 18 116.163 115.156 1.007 1
1 118 . 2 1 1 A 18 18 CYS H H 18 7.875 7.754 0.121 1
1 119 . 2 1 1 A 18 18 CYS CA C 18 58.661 59.033 -0.372 1
1 120 . 2 1 1 A 18 18 CYS HA H 18 5.031 4.498 0.533 1
1 121 . 2 1 1 A 18 18 CYS CB C 18 31.745 28.404 3.341 1
1 124 . 2 1 1 A 18 18 CYS C C 18 174.845 174.418 0.427 1
1 125 . 2 1 1 A 19 19 GLN N N 19 116.345 116.868 -0.523 1
1 126 . 2 1 1 A 19 19 GLN H H 19 8.133 7.959 0.174 1
1 127 . 2 1 1 A 19 19 GLN CA C 19 58.722 56.856 1.866 1
1 128 . 2 1 1 A 19 19 GLN HA H 19 4.117 4.089 0.028 1
1 129 . 2 1 1 A 19 19 GLN CB C 19 26.290 26.162 0.128 1
1 138 . 2 1 1 A 19 19 GLN C C 19 174.950 174.385 0.565 1
1 139 . 2 1 1 A 20 20 LYS N N 20 121.633 119.313 2.320 1
1 140 . 2 1 1 A 20 20 LYS H H 20 7.934 7.965 -0.031 1
1 141 . 2 1 1 A 20 20 LYS CA C 20 57.862 56.182 1.680 1
1 142 . 2 1 1 A 20 20 LYS HA H 20 4.083 4.465 -0.382 1
1 143 . 2 1 1 A 20 20 LYS CB C 20 34.143 33.757 0.386 1
1 155 . 2 1 1 A 20 20 LYS C C 20 173.968 175.818 -1.850 1
1 156 . 2 1 1 A 21 21 ALA N N 21 123.578 126.779 -3.201 1
1 157 . 2 1 1 A 21 21 ALA H H 21 7.807 8.395 -0.588 1
1 158 . 2 1 1 A 21 21 ALA CA C 21 50.538 51.075 -0.537 1
1 159 . 2 1 1 A 21 21 ALA HA H 21 5.067 5.206 -0.139 1
1 160 . 2 1 1 A 21 21 ALA CB C 21 22.260 20.765 1.495 1
1 164 . 2 1 1 A 21 21 ALA C C 21 176.143 176.646 -0.503 1
1 165 . 2 1 1 A 22 22 PHE N N 22 116.532 118.527 -1.995 1
1 166 . 2 1 1 A 22 22 PHE H H 22 8.637 8.680 -0.043 1
1 167 . 2 1 1 A 22 22 PHE CA C 22 57.465 56.523 0.942 1
1 168 . 2 1 1 A 22 22 PHE HA H 22 4.665 4.897 -0.232 1
1 169 . 2 1 1 A 22 22 PHE CB C 22 43.945 42.871 1.074 1
1 182 . 2 1 1 A 22 22 PHE C C 22 175.082 175.639 -0.557 1
1 183 . 2 1 1 A 23 23 ASN CA C 23 55.192 55.196 -0.004 1
1 184 . 2 1 1 A 23 23 ASN HA H 23 4.880 4.843 0.037 1
1 185 . 2 1 1 A 23 23 ASN CB C 23 39.136 39.580 -0.444 1
1 191 . 2 1 1 A 23 23 ASN C C 23 175.375 175.515 -0.140 1
1 192 . 2 1 1 A 24 24 THR N N 24 120.293 108.500 11.793 1
1 193 . 2 1 1 A 24 24 THR H H 24 7.421 7.822 -0.401 1
1 194 . 2 1 1 A 24 24 THR CA C 24 58.831 59.195 -0.364 1
1 195 . 2 1 1 A 24 24 THR HA H 24 4.637 4.611 0.026 1
1 196 . 2 1 1 A 24 24 THR CB C 24 72.609 71.455 1.154 1
1 202 . 2 1 1 A 24 24 THR C C 24 173.507 174.689 -1.182 1
1 203 . 2 1 1 A 25 25 LYS N N 25 124.488 122.948 1.540 1
1 204 . 2 1 1 A 25 25 LYS H H 25 8.175 8.416 -0.241 1
1 205 . 2 1 1 A 25 25 LYS CA C 25 58.622 59.818 -1.196 1
1 206 . 2 1 1 A 25 25 LYS HA H 25 3.105 3.077 0.028 1
1 207 . 2 1 1 A 25 25 LYS CB C 25 31.613 31.772 -0.159 1
1 219 . 2 1 1 A 25 25 LYS C C 25 178.363 177.727 0.636 1
1 220 . 2 1 1 A 26 26 SER N N 26 112.511 114.681 -2.170 1
1 221 . 2 1 1 A 26 26 SER H H 26 8.248 8.237 0.011 1
1 222 . 2 1 1 A 26 26 SER CA C 26 61.540 61.226 0.314 1
1 223 . 2 1 1 A 26 26 SER HA H 26 3.962 4.080 -0.118 1
1 224 . 2 1 1 A 26 26 SER CB C 26 62.203 62.518 -0.315 1
1 227 . 2 1 1 A 26 26 SER C C 26 176.506 177.177 -0.671 1
1 228 . 2 1 1 A 27 27 ASN N N 27 118.519 120.435 -1.916 1
1 229 . 2 1 1 A 27 27 ASN H H 27 7.575 8.124 -0.549 1
1 230 . 2 1 1 A 27 27 ASN CA C 27 55.248 56.342 -1.094 1
1 231 . 2 1 1 A 27 27 ASN HA H 27 4.432 4.463 -0.031 1
1 232 . 2 1 1 A 27 27 ASN CB C 27 37.796 38.211 -0.415 1
1 238 . 2 1 1 A 27 27 ASN C C 27 177.845 177.689 0.156 1
1 239 . 2 1 1 A 28 28 LEU N N 28 123.404 121.377 2.027 1
1 240 . 2 1 1 A 28 28 LEU H H 28 7.347 7.571 -0.224 1
1 241 . 2 1 1 A 28 28 LEU CA C 28 58.281 58.012 0.269 1
1 242 . 2 1 1 A 28 28 LEU HA H 28 3.278 2.520 0.758 1
1 243 . 2 1 1 A 28 28 LEU CB C 28 40.486 41.327 -0.841 1
1 256 . 2 1 1 A 28 28 LEU C C 28 177.276 178.301 -1.025 1
1 257 . 2 1 1 A 29 29 ILE N N 29 120.611 120.023 0.588 1
1 258 . 2 1 1 A 29 29 ILE H H 29 8.285 8.004 0.281 1
1 259 . 2 1 1 A 29 29 ILE CA C 29 65.036 65.294 -0.258 1
1 260 . 2 1 1 A 29 29 ILE HA H 29 3.727 3.554 0.173 1
1 261 . 2 1 1 A 29 29 ILE CB C 29 37.616 37.850 -0.234 1
1 274 . 2 1 1 A 29 29 ILE C C 29 179.149 178.122 1.027 1
1 275 . 2 1 1 A 30 30 VAL N N 30 119.090 119.981 -0.891 1
1 276 . 2 1 1 A 30 30 VAL H H 30 7.578 7.856 -0.278 1
1 277 . 2 1 1 A 30 30 VAL CA C 30 66.753 65.899 0.854 1
1 278 . 2 1 1 A 30 30 VAL HA H 30 3.469 3.749 -0.280 1
1 279 . 2 1 1 A 30 30 VAL CB C 30 31.959 31.471 0.488 1
1 289 . 2 1 1 A 30 30 VAL C C 30 179.079 178.281 0.798 1
1 290 . 2 1 1 A 31 31 HIS N N 31 119.088 121.056 -1.968 1
1 291 . 2 1 1 A 31 31 HIS H H 31 7.441 8.232 -0.791 1
1 292 . 2 1 1 A 31 31 HIS CA C 31 59.210 59.046 0.164 1
1 293 . 2 1 1 A 31 31 HIS HA H 31 4.197 4.248 -0.051 1
1 294 . 2 1 1 A 31 31 HIS CB C 31 28.110 30.149 -2.039 1
1 301 . 2 1 1 A 31 31 HIS C C 31 178.149 176.879 1.270 1
1 302 . 2 1 1 A 32 32 GLN N N 32 120.672 117.585 3.087 1
1 303 . 2 1 1 A 32 32 GLN H H 32 8.973 8.591 0.382 1
1 304 . 2 1 1 A 32 32 GLN CA C 32 59.954 59.401 0.553 1
1 305 . 2 1 1 A 32 32 GLN HA H 32 3.620 3.919 -0.299 1
1 306 . 2 1 1 A 32 32 GLN CB C 32 28.132 28.244 -0.112 1
1 315 . 2 1 1 A 32 32 GLN C C 32 177.938 178.219 -0.281 1
1 316 . 2 1 1 A 33 33 ARG N N 33 117.768 117.946 -0.178 1
1 317 . 2 1 1 A 33 33 ARG H H 33 7.323 7.749 -0.426 1
1 318 . 2 1 1 A 33 33 ARG CA C 33 58.576 58.510 0.066 1
1 319 . 2 1 1 A 33 33 ARG HA H 33 4.171 4.060 0.111 1
1 320 . 2 1 1 A 33 33 ARG CB C 33 30.016 30.157 -0.141 1
1 329 . 2 1 1 A 33 33 ARG C C 33 178.202 177.692 0.510 1
1 330 . 2 1 1 A 34 34 THR N N 34 109.590 111.449 -1.859 1
1 331 . 2 1 1 A 34 34 THR H H 34 7.812 8.336 -0.524 1
1 332 . 2 1 1 A 34 34 THR CA C 34 63.867 65.266 -1.399 1
1 333 . 2 1 1 A 34 34 THR HA H 34 4.113 3.997 0.116 1
1 334 . 2 1 1 A 34 34 THR CB C 34 69.435 67.925 1.510 1
1 340 . 2 1 1 A 34 34 THR C C 34 175.584 176.980 -1.396 1
1 341 . 2 1 1 A 35 35 HIS N N 35 118.698 119.488 -0.790 1
1 342 . 2 1 1 A 35 35 HIS H H 35 7.187 7.411 -0.224 1
1 343 . 2 1 1 A 35 35 HIS CA C 35 55.498 58.743 -3.245 1
1 344 . 2 1 1 A 35 35 HIS HA H 35 4.864 4.395 0.469 1
1 345 . 2 1 1 A 35 35 HIS CB C 35 28.676 30.074 -1.398 1
1 352 . 2 1 1 A 35 35 HIS C C 35 175.584 176.341 -0.757 1
1 353 . 2 1 1 A 36 36 THR N N 36 112.399 111.740 0.659 1
1 354 . 2 1 1 A 36 36 THR H H 36 7.811 7.299 0.512 1
1 355 . 2 1 1 A 36 36 THR CA C 36 62.362 63.231 -0.869 1
1 356 . 2 1 1 A 36 36 THR HA H 36 4.358 4.110 0.248 1
1 357 . 2 1 1 A 36 36 THR CB C 36 69.845 69.218 0.627 1
1 363 . 2 1 1 A 36 36 THR C C 36 175.377 174.528 0.849 1
1 364 . 2 1 1 A 37 37 GLY N N 37 111.020 114.041 -3.021 1
1 365 . 2 1 1 A 37 37 GLY H H 37 8.446 8.313 0.133 1
1 366 . 2 1 1 A 37 37 GLY CA C 37 45.083 45.534 -0.451 1
1 367 . 2 1 1 A 37 37 GLY HA2 H 37 3.985 4.001 -0.016 1
1 368 . 2 1 1 A 37 37 GLY HA3 H 37 3.985 4.001 -0.016 1
1 369 . 2 1 1 A 37 37 GLY C C 37 174.005 175.030 -1.025 1
1 370 . 2 1 1 A 38 38 GLU N N 38 120.659 120.399 0.260 1
1 371 . 2 1 1 A 38 38 GLU H H 38 8.132 8.157 -0.025 1
1 372 . 2 1 1 A 38 38 GLU CA C 38 56.441 56.163 0.278 1
1 373 . 2 1 1 A 38 38 GLU HA H 38 4.240 4.391 -0.151 1
1 374 . 2 1 1 A 38 38 GLU CB C 38 30.497 29.008 1.489 1
1 380 . 2 1 1 A 38 38 GLU C C 38 176.239 174.656 1.583 1
1 381 . 2 1 1 A 39 39 LYS N N 39 123.933 119.281 4.652 1
1 382 . 2 1 1 A 39 39 LYS H H 39 8.428 7.415 1.013 1
1 383 . 2 1 1 A 39 39 LYS CA C 39 54.087 53.059 1.028 1
1 384 . 2 1 1 A 39 39 LYS HA H 39 4.601 4.795 -0.194 1
1 385 . 2 1 1 A 39 39 LYS CB C 39 32.513 34.383 -1.870 1
1 397 . 2 1 1 A 39 39 LYS C C 39 174.467 175.954 -1.487 1
1 398 . 2 1 1 A 40 40 PRO CA C 40 63.220 65.162 -1.942 1
1 399 . 2 1 1 A 40 40 PRO HA H 40 4.446 4.324 0.122 1
1 400 . 2 1 1 A 40 40 PRO CB C 40 32.146 32.026 0.120 1
1 409 . 2 1 1 A 40 40 PRO C C 40 176.972 178.001 -1.029 1
1 410 . 2 1 1 A 41 41 SER N N 41 116.493 112.398 4.095 1
1 411 . 2 1 1 A 41 41 SER H H 41 8.462 7.777 0.685 1
1 412 . 2 1 1 A 41 41 SER CA C 41 58.320 59.621 -1.301 1
1 413 . 2 1 1 A 41 41 SER HA H 41 4.470 4.486 -0.016 1
1 414 . 2 1 1 A 41 41 SER CB C 41 64.163 64.527 -0.364 1
1 417 . 2 1 1 A 41 41 SER C C 41 174.635 174.694 -0.059 1
1 418 . 2 1 1 A 42 42 GLY CA C 42 44.675 45.637 -0.962 1
1 419 . 2 1 1 A 42 42 GLY HA2 H 42 4.151 3.994 0.157 1
1 420 . 2 1 1 A 42 42 GLY HA3 H 42 4.095 3.996 0.099 1
1 421 . 2 1 1 A 43 43 PRO CA C 43 63.213 62.526 0.687 1
1 422 . 2 1 1 A 43 43 PRO HA H 43 4.476 4.512 -0.036 1
1 423 . 2 1 1 A 43 43 PRO CB C 43 32.217 33.215 -0.998 1
1 432 . 2 1 1 A 45 45 SER CA C 45 58.359 56.924 1.435 1
1 433 . 2 1 1 A 45 45 SER HA H 45 4.496 4.731 -0.235 1
1 434 . 2 1 1 A 45 45 SER CB C 45 64.036 65.412 -1.376 1
1 437 . 2 1 1 A 45 45 SER C C 45 173.895 173.573 0.322 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.428 45.698 -0.270 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.049 4.369 -0.320 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.049 4.369 -0.320 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.518 172.132 2.386 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.808 114.839 -2.031 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.145 8.508 -0.363 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.842 59.937 1.905 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.361 5.150 -0.789 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.802 71.689 -1.887 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.285 173.760 1.525 1
1 16 . 3 1 1 A 9 9 GLY N N 9 110.918 114.182 -3.264 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.318 8.595 -0.277 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.316 45.857 -0.541 1
1 19 . 3 1 1 A 9 9 GLY HA2 H 9 3.961 4.123 -0.162 1
1 20 . 3 1 1 A 9 9 GLY HA3 H 9 3.961 4.124 -0.163 1
1 21 . 3 1 1 A 10 10 GLU N N 10 120.269 119.673 0.596 1
1 22 . 3 1 1 A 10 10 GLU H H 10 8.223 7.988 0.235 1
1 23 . 3 1 1 A 10 10 GLU CA C 10 56.774 55.173 1.601 1
1 24 . 3 1 1 A 10 10 GLU HA H 10 4.196 4.649 -0.453 1
1 25 . 3 1 1 A 10 10 GLU CB C 10 30.450 32.302 -1.852 1
1 31 . 3 1 1 A 10 10 GLU C C 10 176.312 175.906 0.406 1
1 32 . 3 1 1 A 11 11 LYS N N 11 121.676 124.201 -2.525 1
1 33 . 3 1 1 A 11 11 LYS H H 11 8.287 8.909 -0.622 1
1 34 . 3 1 1 A 11 11 LYS CA C 11 53.916 53.272 0.644 1
1 35 . 3 1 1 A 11 11 LYS HA H 11 4.497 4.682 -0.185 1
1 36 . 3 1 1 A 11 11 LYS CB C 11 32.952 32.453 0.499 1
1 48 . 3 1 1 A 11 11 LYS C C 11 174.005 176.390 -2.385 1
1 49 . 3 1 1 A 12 12 PRO CA C 12 63.420 64.635 -1.215 1
1 50 . 3 1 1 A 12 12 PRO HA H 12 4.272 4.235 0.037 1
1 51 . 3 1 1 A 12 12 PRO CB C 12 32.270 31.635 0.635 1
1 60 . 3 1 1 A 12 12 PRO C C 12 176.312 176.175 0.137 1
1 61 . 3 1 1 A 13 13 PHE N N 13 118.211 117.741 0.470 1
1 62 . 3 1 1 A 13 13 PHE H H 13 8.097 7.741 0.356 1
1 63 . 3 1 1 A 13 13 PHE CA C 13 57.267 57.271 -0.004 1
1 64 . 3 1 1 A 13 13 PHE HA H 13 4.640 5.151 -0.511 1
1 65 . 3 1 1 A 13 13 PHE CB C 13 39.302 41.448 -2.146 1
1 78 . 3 1 1 A 13 13 PHE C C 13 174.594 174.242 0.352 1
1 79 . 3 1 1 A 14 14 GLU N N 14 124.060 122.632 1.428 1
1 80 . 3 1 1 A 14 14 GLU H H 14 8.568 9.005 -0.437 1
1 81 . 3 1 1 A 14 14 GLU CA C 14 55.291 54.950 0.341 1
1 82 . 3 1 1 A 14 14 GLU HA H 14 4.849 5.571 -0.722 1
1 83 . 3 1 1 A 14 14 GLU CB C 14 32.713 33.541 -0.828 1
1 89 . 3 1 1 A 14 14 GLU C C 14 175.419 174.863 0.556 1
1 90 . 3 1 1 A 15 15 CYS N N 15 126.818 125.191 1.627 1
1 91 . 3 1 1 A 15 15 CYS H H 15 9.101 9.372 -0.271 1
1 92 . 3 1 1 A 15 15 CYS CA C 15 59.631 59.613 0.018 1
1 93 . 3 1 1 A 15 15 CYS HA H 15 4.558 4.671 -0.113 1
1 94 . 3 1 1 A 15 15 CYS CB C 15 29.865 28.959 0.906 1
1 97 . 3 1 1 A 15 15 CYS C C 15 176.885 175.042 1.843 1
1 98 . 3 1 1 A 16 16 SER N N 16 112.930 119.267 -6.337 1
1 99 . 3 1 1 A 16 16 SER H H 16 9.124 9.001 0.123 1
1 100 . 3 1 1 A 16 16 SER CA C 16 60.826 59.757 1.069 1
1 101 . 3 1 1 A 16 16 SER HA H 16 4.356 4.623 -0.267 1
1 102 . 3 1 1 A 16 16 SER CB C 16 63.144 64.124 -0.980 1
1 105 . 3 1 1 A 16 16 SER C C 16 174.769 174.985 -0.216 1
1 106 . 3 1 1 A 17 17 GLU N N 17 123.223 120.959 2.264 1
1 107 . 3 1 1 A 17 17 GLU H H 17 8.865 7.904 0.961 1
1 108 . 3 1 1 A 17 17 GLU CA C 17 57.918 58.590 -0.672 1
1 109 . 3 1 1 A 17 17 GLU HA H 17 4.287 4.184 0.103 1
1 110 . 3 1 1 A 17 17 GLU CB C 17 29.917 29.830 0.087 1
1 116 . 3 1 1 A 17 17 GLU C C 17 176.999 178.669 -1.670 1
1 117 . 3 1 1 A 18 18 CYS N N 18 116.163 116.514 -0.351 1
1 118 . 3 1 1 A 18 18 CYS H H 18 7.875 7.726 0.149 1
1 119 . 3 1 1 A 18 18 CYS CA C 18 58.661 59.452 -0.791 1
1 120 . 3 1 1 A 18 18 CYS HA H 18 5.031 4.499 0.532 1
1 121 . 3 1 1 A 18 18 CYS CB C 18 31.745 28.693 3.052 1
1 124 . 3 1 1 A 18 18 CYS C C 18 174.845 174.765 0.080 1
1 125 . 3 1 1 A 19 19 GLN N N 19 116.345 116.413 -0.068 1
1 126 . 3 1 1 A 19 19 GLN H H 19 8.133 7.944 0.189 1
1 127 . 3 1 1 A 19 19 GLN CA C 19 58.722 56.972 1.750 1
1 128 . 3 1 1 A 19 19 GLN HA H 19 4.117 4.227 -0.110 1
1 129 . 3 1 1 A 19 19 GLN CB C 19 26.290 26.445 -0.155 1
1 138 . 3 1 1 A 19 19 GLN C C 19 174.950 174.452 0.498 1
1 139 . 3 1 1 A 20 20 LYS N N 20 121.633 119.451 2.182 1
1 140 . 3 1 1 A 20 20 LYS H H 20 7.934 7.495 0.439 1
1 141 . 3 1 1 A 20 20 LYS CA C 20 57.862 56.471 1.391 1
1 142 . 3 1 1 A 20 20 LYS HA H 20 4.083 4.301 -0.218 1
1 143 . 3 1 1 A 20 20 LYS CB C 20 34.143 33.785 0.358 1
1 155 . 3 1 1 A 20 20 LYS C C 20 173.968 175.672 -1.704 1
1 156 . 3 1 1 A 21 21 ALA N N 21 123.578 126.585 -3.007 1
1 157 . 3 1 1 A 21 21 ALA H H 21 7.807 8.396 -0.589 1
1 158 . 3 1 1 A 21 21 ALA CA C 21 50.538 51.258 -0.720 1
1 159 . 3 1 1 A 21 21 ALA HA H 21 5.067 5.155 -0.088 1
1 160 . 3 1 1 A 21 21 ALA CB C 21 22.260 20.666 1.594 1
1 164 . 3 1 1 A 21 21 ALA C C 21 176.143 176.786 -0.643 1
1 165 . 3 1 1 A 22 22 PHE N N 22 116.532 118.162 -1.630 1
1 166 . 3 1 1 A 22 22 PHE H H 22 8.637 8.715 -0.078 1
1 167 . 3 1 1 A 22 22 PHE CA C 22 57.465 56.840 0.625 1
1 168 . 3 1 1 A 22 22 PHE HA H 22 4.665 5.050 -0.385 1
1 169 . 3 1 1 A 22 22 PHE CB C 22 43.945 43.946 -0.001 1
1 182 . 3 1 1 A 22 22 PHE C C 22 175.082 175.737 -0.655 1
1 183 . 3 1 1 A 23 23 ASN CA C 23 55.192 55.400 -0.208 1
1 184 . 3 1 1 A 23 23 ASN HA H 23 4.880 4.981 -0.101 1
1 185 . 3 1 1 A 23 23 ASN CB C 23 39.136 39.812 -0.676 1
1 191 . 3 1 1 A 23 23 ASN C C 23 175.375 175.659 -0.284 1
1 192 . 3 1 1 A 24 24 THR N N 24 120.293 112.005 8.288 1
1 193 . 3 1 1 A 24 24 THR H H 24 7.421 7.822 -0.401 1
1 194 . 3 1 1 A 24 24 THR CA C 24 58.831 58.967 -0.136 1
1 195 . 3 1 1 A 24 24 THR HA H 24 4.637 4.809 -0.172 1
1 196 . 3 1 1 A 24 24 THR CB C 24 72.609 71.561 1.048 1
1 202 . 3 1 1 A 24 24 THR C C 24 173.507 174.797 -1.290 1
1 203 . 3 1 1 A 25 25 LYS N N 25 124.488 122.467 2.021 1
1 204 . 3 1 1 A 25 25 LYS H H 25 8.175 8.183 -0.008 1
1 205 . 3 1 1 A 25 25 LYS CA C 25 58.622 59.715 -1.093 1
1 206 . 3 1 1 A 25 25 LYS HA H 25 3.105 3.067 0.038 1
1 207 . 3 1 1 A 25 25 LYS CB C 25 31.613 31.457 0.156 1
1 219 . 3 1 1 A 25 25 LYS C C 25 178.363 178.081 0.282 1
1 220 . 3 1 1 A 26 26 SER N N 26 112.511 116.898 -4.387 1
1 221 . 3 1 1 A 26 26 SER H H 26 8.248 7.919 0.329 1
1 222 . 3 1 1 A 26 26 SER CA C 26 61.540 61.987 -0.447 1
1 223 . 3 1 1 A 26 26 SER HA H 26 3.962 3.996 -0.034 1
1 224 . 3 1 1 A 26 26 SER CB C 26 62.203 62.484 -0.281 1
1 227 . 3 1 1 A 26 26 SER C C 26 176.506 176.703 -0.197 1
1 228 . 3 1 1 A 27 27 ASN N N 27 118.519 120.849 -2.330 1
1 229 . 3 1 1 A 27 27 ASN H H 27 7.575 7.581 -0.006 1
1 230 . 3 1 1 A 27 27 ASN CA C 27 55.248 56.307 -1.059 1
1 231 . 3 1 1 A 27 27 ASN HA H 27 4.432 4.445 -0.013 1
1 232 . 3 1 1 A 27 27 ASN CB C 27 37.796 37.994 -0.198 1
1 238 . 3 1 1 A 27 27 ASN C C 27 177.845 177.632 0.213 1
1 239 . 3 1 1 A 28 28 LEU N N 28 123.404 121.263 2.141 1
1 240 . 3 1 1 A 28 28 LEU H H 28 7.347 7.334 0.013 1
1 241 . 3 1 1 A 28 28 LEU CA C 28 58.281 58.051 0.230 1
1 242 . 3 1 1 A 28 28 LEU HA H 28 3.278 2.899 0.379 1
1 243 . 3 1 1 A 28 28 LEU CB C 28 40.486 41.317 -0.831 1
1 256 . 3 1 1 A 28 28 LEU C C 28 177.276 178.577 -1.301 1
1 257 . 3 1 1 A 29 29 ILE N N 29 120.611 120.193 0.418 1
1 258 . 3 1 1 A 29 29 ILE H H 29 8.285 8.097 0.188 1
1 259 . 3 1 1 A 29 29 ILE CA C 29 65.036 65.352 -0.316 1
1 260 . 3 1 1 A 29 29 ILE HA H 29 3.727 3.575 0.152 1
1 261 . 3 1 1 A 29 29 ILE CB C 29 37.616 37.790 -0.174 1
1 274 . 3 1 1 A 29 29 ILE C C 29 179.149 178.201 0.948 1
1 275 . 3 1 1 A 30 30 VAL N N 30 119.090 119.854 -0.764 1
1 276 . 3 1 1 A 30 30 VAL H H 30 7.578 7.778 -0.200 1
1 277 . 3 1 1 A 30 30 VAL CA C 30 66.753 66.391 0.362 1
1 278 . 3 1 1 A 30 30 VAL HA H 30 3.469 3.650 -0.181 1
1 279 . 3 1 1 A 30 30 VAL CB C 30 31.959 31.469 0.490 1
1 289 . 3 1 1 A 30 30 VAL C C 30 179.079 178.206 0.873 1
1 290 . 3 1 1 A 31 31 HIS N N 31 119.088 119.427 -0.339 1
1 291 . 3 1 1 A 31 31 HIS H H 31 7.441 7.853 -0.412 1
1 292 . 3 1 1 A 31 31 HIS CA C 31 59.210 59.350 -0.140 1
1 293 . 3 1 1 A 31 31 HIS HA H 31 4.197 4.171 0.026 1
1 294 . 3 1 1 A 31 31 HIS CB C 31 28.110 29.947 -1.837 1
1 301 . 3 1 1 A 31 31 HIS C C 31 178.149 176.931 1.218 1
1 302 . 3 1 1 A 32 32 GLN N N 32 120.672 117.293 3.379 1
1 303 . 3 1 1 A 32 32 GLN H H 32 8.973 8.533 0.440 1
1 304 . 3 1 1 A 32 32 GLN CA C 32 59.954 59.370 0.584 1
1 305 . 3 1 1 A 32 32 GLN HA H 32 3.620 3.962 -0.342 1
1 306 . 3 1 1 A 32 32 GLN CB C 32 28.132 28.310 -0.178 1
1 315 . 3 1 1 A 32 32 GLN C C 32 177.938 178.583 -0.645 1
1 316 . 3 1 1 A 33 33 ARG N N 33 117.768 119.651 -1.883 1
1 317 . 3 1 1 A 33 33 ARG H H 33 7.323 7.741 -0.418 1
1 318 . 3 1 1 A 33 33 ARG CA C 33 58.576 59.557 -0.981 1
1 319 . 3 1 1 A 33 33 ARG HA H 33 4.171 3.953 0.218 1
1 320 . 3 1 1 A 33 33 ARG CB C 33 30.016 29.722 0.294 1
1 329 . 3 1 1 A 33 33 ARG C C 33 178.202 179.304 -1.102 1
1 330 . 3 1 1 A 34 34 THR N N 34 109.590 114.763 -5.173 1
1 331 . 3 1 1 A 34 34 THR H H 34 7.812 8.412 -0.600 1
1 332 . 3 1 1 A 34 34 THR CA C 34 63.867 64.253 -0.386 1
1 333 . 3 1 1 A 34 34 THR HA H 34 4.113 3.841 0.272 1
1 334 . 3 1 1 A 34 34 THR CB C 34 69.435 68.662 0.773 1
1 340 . 3 1 1 A 34 34 THR C C 34 175.584 175.796 -0.212 1
1 341 . 3 1 1 A 35 35 HIS N N 35 118.698 117.815 0.883 1
1 342 . 3 1 1 A 35 35 HIS H H 35 7.187 7.892 -0.705 1
1 343 . 3 1 1 A 35 35 HIS CA C 35 55.498 54.134 1.364 1
1 344 . 3 1 1 A 35 35 HIS HA H 35 4.864 4.702 0.162 1
1 345 . 3 1 1 A 35 35 HIS CB C 35 28.676 27.163 1.513 1
1 352 . 3 1 1 A 35 35 HIS C C 35 175.584 175.189 0.395 1
1 353 . 3 1 1 A 36 36 THR N N 36 112.399 111.958 0.441 1
1 354 . 3 1 1 A 36 36 THR H H 36 7.811 7.684 0.127 1
1 355 . 3 1 1 A 36 36 THR CA C 36 62.362 62.370 -0.008 1
1 356 . 3 1 1 A 36 36 THR HA H 36 4.358 4.489 -0.131 1
1 357 . 3 1 1 A 36 36 THR CB C 36 69.845 70.343 -0.498 1
1 363 . 3 1 1 A 36 36 THR C C 36 175.377 175.412 -0.035 1
1 364 . 3 1 1 A 37 37 GLY N N 37 111.020 110.683 0.337 1
1 365 . 3 1 1 A 37 37 GLY H H 37 8.446 7.745 0.701 1
1 366 . 3 1 1 A 37 37 GLY CA C 37 45.083 44.577 0.506 1
1 367 . 3 1 1 A 37 37 GLY HA2 H 37 3.985 4.071 -0.086 1
1 368 . 3 1 1 A 37 37 GLY HA3 H 37 3.985 4.074 -0.089 1
1 369 . 3 1 1 A 37 37 GLY C C 37 174.005 172.903 1.102 1
1 370 . 3 1 1 A 38 38 GLU N N 38 120.659 116.978 3.681 1
1 371 . 3 1 1 A 38 38 GLU H H 38 8.132 9.101 -0.969 1
1 372 . 3 1 1 A 38 38 GLU CA C 38 56.441 54.293 2.148 1
1 373 . 3 1 1 A 38 38 GLU HA H 38 4.240 5.128 -0.888 1
1 374 . 3 1 1 A 38 38 GLU CB C 38 30.497 33.495 -2.998 1
1 380 . 3 1 1 A 38 38 GLU C C 38 176.239 174.675 1.564 1
1 381 . 3 1 1 A 39 39 LYS N N 39 123.933 120.764 3.169 1
1 382 . 3 1 1 A 39 39 LYS H H 39 8.428 8.431 -0.003 1
1 383 . 3 1 1 A 39 39 LYS CA C 39 54.087 53.726 0.361 1
1 384 . 3 1 1 A 39 39 LYS HA H 39 4.601 4.741 -0.140 1
1 385 . 3 1 1 A 39 39 LYS CB C 39 32.513 32.431 0.082 1
1 397 . 3 1 1 A 39 39 LYS C C 39 174.467 174.572 -0.105 1
1 398 . 3 1 1 A 40 40 PRO CA C 40 63.220 62.362 0.858 1
1 399 . 3 1 1 A 40 40 PRO HA H 40 4.446 4.720 -0.274 1
1 400 . 3 1 1 A 40 40 PRO CB C 40 32.146 29.390 2.756 1
1 409 . 3 1 1 A 40 40 PRO C C 40 176.972 175.872 1.100 1
1 410 . 3 1 1 A 41 41 SER N N 41 116.493 113.927 2.566 1
1 411 . 3 1 1 A 41 41 SER H H 41 8.462 8.031 0.431 1
1 412 . 3 1 1 A 41 41 SER CA C 41 58.320 56.633 1.687 1
1 413 . 3 1 1 A 41 41 SER HA H 41 4.470 4.894 -0.424 1
1 414 . 3 1 1 A 41 41 SER CB C 41 64.163 66.030 -1.867 1
1 417 . 3 1 1 A 41 41 SER C C 41 174.635 174.680 -0.045 1
1 418 . 3 1 1 A 42 42 GLY CA C 42 44.675 44.369 0.306 1
1 419 . 3 1 1 A 42 42 GLY HA2 H 42 4.151 4.058 0.093 1
1 420 . 3 1 1 A 42 42 GLY HA3 H 42 4.095 4.058 0.037 1
1 421 . 3 1 1 A 43 43 PRO CA C 43 63.213 62.622 0.591 1
1 422 . 3 1 1 A 43 43 PRO HA H 43 4.476 4.369 0.107 1
1 423 . 3 1 1 A 43 43 PRO CB C 43 32.217 32.598 -0.381 1
1 432 . 3 1 1 A 45 45 SER CA C 45 58.359 57.132 1.227 1
1 433 . 3 1 1 A 45 45 SER HA H 45 4.496 4.699 -0.203 1
1 434 . 3 1 1 A 45 45 SER CB C 45 64.036 62.511 1.525 1
1 437 . 3 1 1 A 45 45 SER C C 45 173.895 174.957 -1.062 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.428 45.489 -0.061 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.049 3.983 0.066 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.049 3.984 0.065 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.518 174.517 0.001 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.808 114.819 -2.011 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.145 7.929 0.216 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.842 62.139 -0.297 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.361 4.326 0.035 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.802 70.154 -0.352 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.285 174.205 1.080 1
1 16 . 4 1 1 A 9 9 GLY N N 9 110.918 108.551 2.367 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.318 8.396 -0.078 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.316 43.978 1.338 1
1 19 . 4 1 1 A 9 9 GLY HA2 H 9 3.961 4.268 -0.307 1
1 20 . 4 1 1 A 9 9 GLY HA3 H 9 3.961 4.269 -0.308 1
1 21 . 4 1 1 A 10 10 GLU N N 10 120.269 122.202 -1.933 1
1 22 . 4 1 1 A 10 10 GLU H H 10 8.223 8.451 -0.228 1
1 23 . 4 1 1 A 10 10 GLU CA C 10 56.774 56.752 0.022 1
1 24 . 4 1 1 A 10 10 GLU HA H 10 4.196 4.441 -0.245 1
1 25 . 4 1 1 A 10 10 GLU CB C 10 30.450 30.020 0.430 1
1 31 . 4 1 1 A 10 10 GLU C C 10 176.312 175.945 0.367 1
1 32 . 4 1 1 A 11 11 LYS N N 11 121.676 128.047 -6.371 1
1 33 . 4 1 1 A 11 11 LYS H H 11 8.287 8.610 -0.323 1
1 34 . 4 1 1 A 11 11 LYS CA C 11 53.916 54.351 -0.435 1
1 35 . 4 1 1 A 11 11 LYS HA H 11 4.497 4.357 0.140 1
1 36 . 4 1 1 A 11 11 LYS CB C 11 32.952 31.926 1.026 1
1 48 . 4 1 1 A 11 11 LYS C C 11 174.005 176.528 -2.523 1
1 49 . 4 1 1 A 12 12 PRO CA C 12 63.420 64.430 -1.010 1
1 50 . 4 1 1 A 12 12 PRO HA H 12 4.272 4.289 -0.017 1
1 51 . 4 1 1 A 12 12 PRO CB C 12 32.270 31.699 0.571 1
1 60 . 4 1 1 A 12 12 PRO C C 12 176.312 175.979 0.333 1
1 61 . 4 1 1 A 13 13 PHE N N 13 118.211 117.958 0.253 1
1 62 . 4 1 1 A 13 13 PHE H H 13 8.097 7.631 0.466 1
1 63 . 4 1 1 A 13 13 PHE CA C 13 57.267 56.658 0.609 1
1 64 . 4 1 1 A 13 13 PHE HA H 13 4.640 5.322 -0.682 1
1 65 . 4 1 1 A 13 13 PHE CB C 13 39.302 42.242 -2.940 1
1 78 . 4 1 1 A 13 13 PHE C C 13 174.594 174.349 0.245 1
1 79 . 4 1 1 A 14 14 GLU N N 14 124.060 123.090 0.970 1
1 80 . 4 1 1 A 14 14 GLU H H 14 8.568 8.971 -0.403 1
1 81 . 4 1 1 A 14 14 GLU CA C 14 55.291 55.133 0.158 1
1 82 . 4 1 1 A 14 14 GLU HA H 14 4.849 5.527 -0.678 1
1 83 . 4 1 1 A 14 14 GLU CB C 14 32.713 33.595 -0.882 1
1 89 . 4 1 1 A 14 14 GLU C C 14 175.419 174.893 0.526 1
1 90 . 4 1 1 A 15 15 CYS N N 15 126.818 125.454 1.364 1
1 91 . 4 1 1 A 15 15 CYS H H 15 9.101 9.071 0.030 1
1 92 . 4 1 1 A 15 15 CYS CA C 15 59.631 59.227 0.404 1
1 93 . 4 1 1 A 15 15 CYS HA H 15 4.558 4.711 -0.153 1
1 94 . 4 1 1 A 15 15 CYS CB C 15 29.865 28.867 0.998 1
1 97 . 4 1 1 A 15 15 CYS C C 15 176.885 174.620 2.265 1
1 98 . 4 1 1 A 16 16 SER N N 16 112.930 119.911 -6.981 1
1 99 . 4 1 1 A 16 16 SER H H 16 9.124 8.876 0.248 1
1 100 . 4 1 1 A 16 16 SER CA C 16 60.826 59.220 1.606 1
1 101 . 4 1 1 A 16 16 SER HA H 16 4.356 4.532 -0.176 1
1 102 . 4 1 1 A 16 16 SER CB C 16 63.144 64.852 -1.708 1
1 105 . 4 1 1 A 16 16 SER C C 16 174.769 176.308 -1.539 1
1 106 . 4 1 1 A 17 17 GLU N N 17 123.223 121.040 2.183 1
1 107 . 4 1 1 A 17 17 GLU H H 17 8.865 8.061 0.804 1
1 108 . 4 1 1 A 17 17 GLU CA C 17 57.918 58.665 -0.747 1
1 109 . 4 1 1 A 17 17 GLU HA H 17 4.287 4.090 0.197 1
1 110 . 4 1 1 A 17 17 GLU CB C 17 29.917 29.994 -0.077 1
1 116 . 4 1 1 A 17 17 GLU C C 17 176.999 178.344 -1.345 1
1 117 . 4 1 1 A 18 18 CYS N N 18 116.163 115.126 1.037 1
1 118 . 4 1 1 A 18 18 CYS H H 18 7.875 7.616 0.259 1
1 119 . 4 1 1 A 18 18 CYS CA C 18 58.661 59.154 -0.493 1
1 120 . 4 1 1 A 18 18 CYS HA H 18 5.031 4.465 0.566 1
1 121 . 4 1 1 A 18 18 CYS CB C 18 31.745 28.914 2.831 1
1 124 . 4 1 1 A 18 18 CYS C C 18 174.845 174.397 0.448 1
1 125 . 4 1 1 A 19 19 GLN N N 19 116.345 116.736 -0.391 1
1 126 . 4 1 1 A 19 19 GLN H H 19 8.133 7.916 0.217 1
1 127 . 4 1 1 A 19 19 GLN CA C 19 58.722 56.798 1.924 1
1 128 . 4 1 1 A 19 19 GLN HA H 19 4.117 3.866 0.251 1
1 129 . 4 1 1 A 19 19 GLN CB C 19 26.290 26.279 0.011 1
1 138 . 4 1 1 A 19 19 GLN C C 19 174.950 174.305 0.645 1
1 139 . 4 1 1 A 20 20 LYS N N 20 121.633 119.851 1.782 1
1 140 . 4 1 1 A 20 20 LYS H H 20 7.934 7.903 0.031 1
1 141 . 4 1 1 A 20 20 LYS CA C 20 57.862 56.048 1.814 1
1 142 . 4 1 1 A 20 20 LYS HA H 20 4.083 4.536 -0.453 1
1 143 . 4 1 1 A 20 20 LYS CB C 20 34.143 33.895 0.248 1
1 155 . 4 1 1 A 20 20 LYS C C 20 173.968 175.768 -1.800 1
1 156 . 4 1 1 A 21 21 ALA N N 21 123.578 127.566 -3.988 1
1 157 . 4 1 1 A 21 21 ALA H H 21 7.807 8.492 -0.685 1
1 158 . 4 1 1 A 21 21 ALA CA C 21 50.538 50.616 -0.078 1
1 159 . 4 1 1 A 21 21 ALA HA H 21 5.067 5.135 -0.068 1
1 160 . 4 1 1 A 21 21 ALA CB C 21 22.260 20.472 1.788 1
1 164 . 4 1 1 A 21 21 ALA C C 21 176.143 176.600 -0.457 1
1 165 . 4 1 1 A 22 22 PHE N N 22 116.532 119.457 -2.925 1
1 166 . 4 1 1 A 22 22 PHE H H 22 8.637 8.971 -0.334 1
1 167 . 4 1 1 A 22 22 PHE CA C 22 57.465 56.952 0.513 1
1 168 . 4 1 1 A 22 22 PHE HA H 22 4.665 5.016 -0.351 1
1 169 . 4 1 1 A 22 22 PHE CB C 22 43.945 43.294 0.651 1
1 182 . 4 1 1 A 22 22 PHE C C 22 175.082 175.746 -0.664 1
1 183 . 4 1 1 A 23 23 ASN CA C 23 55.192 54.346 0.846 1
1 184 . 4 1 1 A 23 23 ASN HA H 23 4.880 4.946 -0.066 1
1 185 . 4 1 1 A 23 23 ASN CB C 23 39.136 39.188 -0.052 1
1 191 . 4 1 1 A 23 23 ASN C C 23 175.375 175.454 -0.079 1
1 192 . 4 1 1 A 24 24 THR N N 24 120.293 110.135 10.158 1
1 193 . 4 1 1 A 24 24 THR H H 24 7.421 7.718 -0.297 1
1 194 . 4 1 1 A 24 24 THR CA C 24 58.831 59.048 -0.217 1
1 195 . 4 1 1 A 24 24 THR HA H 24 4.637 4.662 -0.025 1
1 196 . 4 1 1 A 24 24 THR CB C 24 72.609 71.721 0.888 1
1 202 . 4 1 1 A 24 24 THR C C 24 173.507 174.421 -0.914 1
1 203 . 4 1 1 A 25 25 LYS N N 25 124.488 122.395 2.093 1
1 204 . 4 1 1 A 25 25 LYS H H 25 8.175 8.105 0.070 1
1 205 . 4 1 1 A 25 25 LYS CA C 25 58.622 59.365 -0.743 1
1 206 . 4 1 1 A 25 25 LYS HA H 25 3.105 2.978 0.127 1
1 207 . 4 1 1 A 25 25 LYS CB C 25 31.613 31.857 -0.244 1
1 219 . 4 1 1 A 25 25 LYS C C 25 178.363 178.077 0.286 1
1 220 . 4 1 1 A 26 26 SER N N 26 112.511 115.992 -3.481 1
1 221 . 4 1 1 A 26 26 SER H H 26 8.248 8.018 0.230 1
1 222 . 4 1 1 A 26 26 SER CA C 26 61.540 61.933 -0.393 1
1 223 . 4 1 1 A 26 26 SER HA H 26 3.962 4.016 -0.054 1
1 224 . 4 1 1 A 26 26 SER CB C 26 62.203 62.397 -0.194 1
1 227 . 4 1 1 A 26 26 SER C C 26 176.506 176.537 -0.031 1
1 228 . 4 1 1 A 27 27 ASN N N 27 118.519 120.542 -2.023 1
1 229 . 4 1 1 A 27 27 ASN H H 27 7.575 8.093 -0.518 1
1 230 . 4 1 1 A 27 27 ASN CA C 27 55.248 56.378 -1.130 1
1 231 . 4 1 1 A 27 27 ASN HA H 27 4.432 4.291 0.141 1
1 232 . 4 1 1 A 27 27 ASN CB C 27 37.796 38.019 -0.223 1
1 238 . 4 1 1 A 27 27 ASN C C 27 177.845 177.825 0.020 1
1 239 . 4 1 1 A 28 28 LEU N N 28 123.404 120.778 2.626 1
1 240 . 4 1 1 A 28 28 LEU H H 28 7.347 7.424 -0.077 1
1 241 . 4 1 1 A 28 28 LEU CA C 28 58.281 57.912 0.369 1
1 242 . 4 1 1 A 28 28 LEU HA H 28 3.278 2.633 0.645 1
1 243 . 4 1 1 A 28 28 LEU CB C 28 40.486 41.250 -0.764 1
1 256 . 4 1 1 A 28 28 LEU C C 28 177.276 178.462 -1.186 1
1 257 . 4 1 1 A 29 29 ILE N N 29 120.611 119.959 0.652 1
1 258 . 4 1 1 A 29 29 ILE H H 29 8.285 8.231 0.054 1
1 259 . 4 1 1 A 29 29 ILE CA C 29 65.036 65.392 -0.356 1
1 260 . 4 1 1 A 29 29 ILE HA H 29 3.727 3.539 0.188 1
1 261 . 4 1 1 A 29 29 ILE CB C 29 37.616 37.668 -0.052 1
1 274 . 4 1 1 A 29 29 ILE C C 29 179.149 178.144 1.005 1
1 275 . 4 1 1 A 30 30 VAL N N 30 119.090 119.880 -0.790 1
1 276 . 4 1 1 A 30 30 VAL H H 30 7.578 7.947 -0.369 1
1 277 . 4 1 1 A 30 30 VAL CA C 30 66.753 66.343 0.410 1
1 278 . 4 1 1 A 30 30 VAL HA H 30 3.469 3.669 -0.200 1
1 279 . 4 1 1 A 30 30 VAL CB C 30 31.959 31.559 0.400 1
1 289 . 4 1 1 A 30 30 VAL C C 30 179.079 178.378 0.701 1
1 290 . 4 1 1 A 31 31 HIS N N 31 119.088 119.440 -0.352 1
1 291 . 4 1 1 A 31 31 HIS H H 31 7.441 8.118 -0.677 1
1 292 . 4 1 1 A 31 31 HIS CA C 31 59.210 59.181 0.029 1
1 293 . 4 1 1 A 31 31 HIS HA H 31 4.197 4.189 0.008 1
1 294 . 4 1 1 A 31 31 HIS CB C 31 28.110 30.245 -2.135 1
1 301 . 4 1 1 A 31 31 HIS C C 31 178.149 176.738 1.411 1
1 302 . 4 1 1 A 32 32 GLN N N 32 120.672 117.340 3.332 1
1 303 . 4 1 1 A 32 32 GLN H H 32 8.973 8.574 0.399 1
1 304 . 4 1 1 A 32 32 GLN CA C 32 59.954 59.266 0.688 1
1 305 . 4 1 1 A 32 32 GLN HA H 32 3.620 3.898 -0.278 1
1 306 . 4 1 1 A 32 32 GLN CB C 32 28.132 28.180 -0.048 1
1 315 . 4 1 1 A 32 32 GLN C C 32 177.938 178.668 -0.730 1
1 316 . 4 1 1 A 33 33 ARG N N 33 117.768 119.242 -1.474 1
1 317 . 4 1 1 A 33 33 ARG H H 33 7.323 7.841 -0.518 1
1 318 . 4 1 1 A 33 33 ARG CA C 33 58.576 59.460 -0.884 1
1 319 . 4 1 1 A 33 33 ARG HA H 33 4.171 4.155 0.016 1
1 320 . 4 1 1 A 33 33 ARG CB C 33 30.016 30.067 -0.051 1
1 329 . 4 1 1 A 33 33 ARG C C 33 178.202 178.172 0.030 1
1 330 . 4 1 1 A 34 34 THR N N 34 109.590 112.598 -3.008 1
1 331 . 4 1 1 A 34 34 THR H H 34 7.812 8.447 -0.635 1
1 332 . 4 1 1 A 34 34 THR CA C 34 63.867 65.278 -1.411 1
1 333 . 4 1 1 A 34 34 THR HA H 34 4.113 3.986 0.127 1
1 334 . 4 1 1 A 34 34 THR CB C 34 69.435 67.889 1.546 1
1 340 . 4 1 1 A 34 34 THR C C 34 175.584 177.076 -1.492 1
1 341 . 4 1 1 A 35 35 HIS N N 35 118.698 120.030 -1.332 1
1 342 . 4 1 1 A 35 35 HIS H H 35 7.187 7.861 -0.674 1
1 343 . 4 1 1 A 35 35 HIS CA C 35 55.498 58.753 -3.255 1
1 344 . 4 1 1 A 35 35 HIS HA H 35 4.864 4.384 0.480 1
1 345 . 4 1 1 A 35 35 HIS CB C 35 28.676 30.053 -1.377 1
1 352 . 4 1 1 A 35 35 HIS C C 35 175.584 175.742 -0.158 1
1 353 . 4 1 1 A 36 36 THR N N 36 112.399 111.115 1.284 1
1 354 . 4 1 1 A 36 36 THR H H 36 7.811 7.120 0.691 1
1 355 . 4 1 1 A 36 36 THR CA C 36 62.362 62.401 -0.039 1
1 356 . 4 1 1 A 36 36 THR HA H 36 4.358 4.173 0.185 1
1 357 . 4 1 1 A 36 36 THR CB C 36 69.845 69.978 -0.133 1
1 363 . 4 1 1 A 36 36 THR C C 36 175.377 174.216 1.161 1
1 364 . 4 1 1 A 37 37 GLY N N 37 111.020 108.764 2.256 1
1 365 . 4 1 1 A 37 37 GLY H H 37 8.446 8.515 -0.069 1
1 366 . 4 1 1 A 37 37 GLY CA C 37 45.083 44.351 0.732 1
1 367 . 4 1 1 A 37 37 GLY HA2 H 37 3.985 4.104 -0.119 1
1 368 . 4 1 1 A 37 37 GLY HA3 H 37 3.985 4.107 -0.122 1
1 369 . 4 1 1 A 37 37 GLY C C 37 174.005 172.767 1.238 1
1 370 . 4 1 1 A 38 38 GLU N N 38 120.659 124.285 -3.626 1
1 371 . 4 1 1 A 38 38 GLU H H 38 8.132 8.472 -0.340 1
1 372 . 4 1 1 A 38 38 GLU CA C 38 56.441 55.623 0.818 1
1 373 . 4 1 1 A 38 38 GLU HA H 38 4.240 4.611 -0.371 1
1 374 . 4 1 1 A 38 38 GLU CB C 38 30.497 30.018 0.479 1
1 380 . 4 1 1 A 38 38 GLU C C 38 176.239 175.290 0.949 1
1 381 . 4 1 1 A 39 39 LYS N N 39 123.933 125.734 -1.801 1
1 382 . 4 1 1 A 39 39 LYS H H 39 8.428 8.296 0.132 1
1 383 . 4 1 1 A 39 39 LYS CA C 39 54.087 53.181 0.906 1
1 384 . 4 1 1 A 39 39 LYS HA H 39 4.601 4.800 -0.199 1
1 385 . 4 1 1 A 39 39 LYS CB C 39 32.513 34.328 -1.815 1
1 397 . 4 1 1 A 39 39 LYS C C 39 174.467 176.134 -1.667 1
1 398 . 4 1 1 A 40 40 PRO CA C 40 63.220 63.920 -0.700 1
1 399 . 4 1 1 A 40 40 PRO HA H 40 4.446 4.471 -0.025 1
1 400 . 4 1 1 A 40 40 PRO CB C 40 32.146 31.427 0.719 1
1 409 . 4 1 1 A 40 40 PRO C C 40 176.972 175.035 1.937 1
1 410 . 4 1 1 A 41 41 SER N N 41 116.493 110.526 5.967 1
1 411 . 4 1 1 A 41 41 SER H H 41 8.462 7.691 0.771 1
1 412 . 4 1 1 A 41 41 SER CA C 41 58.320 56.135 2.185 1
1 413 . 4 1 1 A 41 41 SER HA H 41 4.470 4.826 -0.356 1
1 414 . 4 1 1 A 41 41 SER CB C 41 64.163 65.862 -1.699 1
1 417 . 4 1 1 A 41 41 SER C C 41 174.635 174.362 0.273 1
1 418 . 4 1 1 A 42 42 GLY CA C 42 44.675 46.935 -2.260 1
1 419 . 4 1 1 A 42 42 GLY HA2 H 42 4.151 3.934 0.217 1
1 420 . 4 1 1 A 42 42 GLY HA3 H 42 4.095 3.935 0.160 1
1 421 . 4 1 1 A 43 43 PRO CA C 43 63.213 64.730 -1.517 1
1 422 . 4 1 1 A 43 43 PRO HA H 43 4.476 4.523 -0.047 1
1 423 . 4 1 1 A 43 43 PRO CB C 43 32.217 32.134 0.083 1
1 432 . 4 1 1 A 45 45 SER CA C 45 58.359 57.115 1.244 1
1 433 . 4 1 1 A 45 45 SER HA H 45 4.496 5.021 -0.525 1
1 434 . 4 1 1 A 45 45 SER CB C 45 64.036 66.242 -2.206 1
1 437 . 4 1 1 A 45 45 SER C C 45 173.895 174.094 -0.199 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.428 44.724 0.704 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.049 4.052 -0.003 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.049 4.052 -0.003 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.518 173.580 0.938 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.808 115.133 -2.325 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.145 8.375 -0.230 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.842 61.121 0.721 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.361 4.810 -0.449 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.802 69.221 0.581 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.285 173.940 1.345 1
1 16 . 5 1 1 A 9 9 GLY N N 9 110.918 111.954 -1.036 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.318 8.239 0.079 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.316 45.686 -0.370 1
1 19 . 5 1 1 A 9 9 GLY HA2 H 9 3.961 4.144 -0.183 1
1 20 . 5 1 1 A 9 9 GLY HA3 H 9 3.961 4.145 -0.184 1
1 21 . 5 1 1 A 10 10 GLU N N 10 120.269 120.240 0.029 1
1 22 . 5 1 1 A 10 10 GLU H H 10 8.223 8.475 -0.252 1
1 23 . 5 1 1 A 10 10 GLU CA C 10 56.774 55.783 0.991 1
1 24 . 5 1 1 A 10 10 GLU HA H 10 4.196 4.519 -0.323 1
1 25 . 5 1 1 A 10 10 GLU CB C 10 30.450 30.196 0.254 1
1 31 . 5 1 1 A 10 10 GLU C C 10 176.312 175.915 0.397 1
1 32 . 5 1 1 A 11 11 LYS N N 11 121.676 125.784 -4.108 1
1 33 . 5 1 1 A 11 11 LYS H H 11 8.287 8.588 -0.301 1
1 34 . 5 1 1 A 11 11 LYS CA C 11 53.916 54.706 -0.790 1
1 35 . 5 1 1 A 11 11 LYS HA H 11 4.497 4.299 0.198 1
1 36 . 5 1 1 A 11 11 LYS CB C 11 32.952 31.974 0.978 1
1 48 . 5 1 1 A 11 11 LYS C C 11 174.005 176.571 -2.566 1
1 49 . 5 1 1 A 12 12 PRO CA C 12 63.420 64.476 -1.056 1
1 50 . 5 1 1 A 12 12 PRO HA H 12 4.272 4.289 -0.017 1
1 51 . 5 1 1 A 12 12 PRO CB C 12 32.270 31.657 0.613 1
1 60 . 5 1 1 A 12 12 PRO C C 12 176.312 175.971 0.341 1
1 61 . 5 1 1 A 13 13 PHE N N 13 118.211 117.960 0.251 1
1 62 . 5 1 1 A 13 13 PHE H H 13 8.097 7.571 0.526 1
1 63 . 5 1 1 A 13 13 PHE CA C 13 57.267 56.752 0.515 1
1 64 . 5 1 1 A 13 13 PHE HA H 13 4.640 5.285 -0.645 1
1 65 . 5 1 1 A 13 13 PHE CB C 13 39.302 42.121 -2.819 1
1 78 . 5 1 1 A 13 13 PHE C C 13 174.594 174.201 0.393 1
1 79 . 5 1 1 A 14 14 GLU N N 14 124.060 122.914 1.146 1
1 80 . 5 1 1 A 14 14 GLU H H 14 8.568 9.024 -0.456 1
1 81 . 5 1 1 A 14 14 GLU CA C 14 55.291 54.929 0.362 1
1 82 . 5 1 1 A 14 14 GLU HA H 14 4.849 5.567 -0.718 1
1 83 . 5 1 1 A 14 14 GLU CB C 14 32.713 33.466 -0.753 1
1 89 . 5 1 1 A 14 14 GLU C C 14 175.419 174.886 0.533 1
1 90 . 5 1 1 A 15 15 CYS N N 15 126.818 125.496 1.322 1
1 91 . 5 1 1 A 15 15 CYS H H 15 9.101 9.178 -0.077 1
1 92 . 5 1 1 A 15 15 CYS CA C 15 59.631 59.639 -0.008 1
1 93 . 5 1 1 A 15 15 CYS HA H 15 4.558 4.632 -0.074 1
1 94 . 5 1 1 A 15 15 CYS CB C 15 29.865 28.958 0.907 1
1 97 . 5 1 1 A 15 15 CYS C C 15 176.885 175.764 1.121 1
1 98 . 5 1 1 A 16 16 SER N N 16 112.930 117.720 -4.790 1
1 99 . 5 1 1 A 16 16 SER H H 16 9.124 8.492 0.632 1
1 100 . 5 1 1 A 16 16 SER CA C 16 60.826 58.961 1.865 1
1 101 . 5 1 1 A 16 16 SER HA H 16 4.356 4.545 -0.189 1
1 102 . 5 1 1 A 16 16 SER CB C 16 63.144 64.282 -1.138 1
1 105 . 5 1 1 A 16 16 SER C C 16 174.769 176.168 -1.399 1
1 106 . 5 1 1 A 17 17 GLU N N 17 123.223 121.461 1.762 1
1 107 . 5 1 1 A 17 17 GLU H H 17 8.865 8.075 0.790 1
1 108 . 5 1 1 A 17 17 GLU CA C 17 57.918 58.733 -0.815 1
1 109 . 5 1 1 A 17 17 GLU HA H 17 4.287 4.151 0.136 1
1 110 . 5 1 1 A 17 17 GLU CB C 17 29.917 29.926 -0.009 1
1 116 . 5 1 1 A 17 17 GLU C C 17 176.999 178.541 -1.542 1
1 117 . 5 1 1 A 18 18 CYS N N 18 116.163 115.673 0.490 1
1 118 . 5 1 1 A 18 18 CYS H H 18 7.875 7.708 0.167 1
1 119 . 5 1 1 A 18 18 CYS CA C 18 58.661 59.390 -0.729 1
1 120 . 5 1 1 A 18 18 CYS HA H 18 5.031 4.446 0.585 1
1 121 . 5 1 1 A 18 18 CYS CB C 18 31.745 28.747 2.998 1
1 124 . 5 1 1 A 18 18 CYS C C 18 174.845 174.623 0.222 1
1 125 . 5 1 1 A 19 19 GLN N N 19 116.345 116.707 -0.362 1
1 126 . 5 1 1 A 19 19 GLN H H 19 8.133 7.958 0.175 1
1 127 . 5 1 1 A 19 19 GLN CA C 19 58.722 56.811 1.911 1
1 128 . 5 1 1 A 19 19 GLN HA H 19 4.117 4.035 0.082 1
1 129 . 5 1 1 A 19 19 GLN CB C 19 26.290 26.208 0.082 1
1 138 . 5 1 1 A 19 19 GLN C C 19 174.950 174.303 0.647 1
1 139 . 5 1 1 A 20 20 LYS N N 20 121.633 119.171 2.462 1
1 140 . 5 1 1 A 20 20 LYS H H 20 7.934 7.993 -0.059 1
1 141 . 5 1 1 A 20 20 LYS CA C 20 57.862 55.860 2.002 1
1 142 . 5 1 1 A 20 20 LYS HA H 20 4.083 4.561 -0.478 1
1 143 . 5 1 1 A 20 20 LYS CB C 20 34.143 34.085 0.058 1
1 155 . 5 1 1 A 20 20 LYS C C 20 173.968 175.478 -1.510 1
1 156 . 5 1 1 A 21 21 ALA N N 21 123.578 126.059 -2.481 1
1 157 . 5 1 1 A 21 21 ALA H H 21 7.807 8.366 -0.559 1
1 158 . 5 1 1 A 21 21 ALA CA C 21 50.538 51.049 -0.511 1
1 159 . 5 1 1 A 21 21 ALA HA H 21 5.067 5.275 -0.208 1
1 160 . 5 1 1 A 21 21 ALA CB C 21 22.260 20.990 1.270 1
1 164 . 5 1 1 A 21 21 ALA C C 21 176.143 176.714 -0.571 1
1 165 . 5 1 1 A 22 22 PHE N N 22 116.532 117.738 -1.206 1
1 166 . 5 1 1 A 22 22 PHE H H 22 8.637 8.643 -0.006 1
1 167 . 5 1 1 A 22 22 PHE CA C 22 57.465 56.834 0.631 1
1 168 . 5 1 1 A 22 22 PHE HA H 22 4.665 5.091 -0.426 1
1 169 . 5 1 1 A 22 22 PHE CB C 22 43.945 44.273 -0.328 1
1 182 . 5 1 1 A 22 22 PHE C C 22 175.082 175.614 -0.532 1
1 183 . 5 1 1 A 23 23 ASN CA C 23 55.192 54.798 0.394 1
1 184 . 5 1 1 A 23 23 ASN HA H 23 4.880 5.067 -0.187 1
1 185 . 5 1 1 A 23 23 ASN CB C 23 39.136 40.993 -1.857 1
1 191 . 5 1 1 A 23 23 ASN C C 23 175.375 175.319 0.056 1
1 192 . 5 1 1 A 24 24 THR N N 24 120.293 109.052 11.241 1
1 193 . 5 1 1 A 24 24 THR H H 24 7.421 7.860 -0.439 1
1 194 . 5 1 1 A 24 24 THR CA C 24 58.831 59.068 -0.237 1
1 195 . 5 1 1 A 24 24 THR HA H 24 4.637 4.604 0.033 1
1 196 . 5 1 1 A 24 24 THR CB C 24 72.609 71.416 1.193 1
1 202 . 5 1 1 A 24 24 THR C C 24 173.507 174.869 -1.362 1
1 203 . 5 1 1 A 25 25 LYS N N 25 124.488 122.780 1.708 1
1 204 . 5 1 1 A 25 25 LYS H H 25 8.175 8.339 -0.164 1
1 205 . 5 1 1 A 25 25 LYS CA C 25 58.622 60.013 -1.391 1
1 206 . 5 1 1 A 25 25 LYS HA H 25 3.105 3.226 -0.121 1
1 207 . 5 1 1 A 25 25 LYS CB C 25 31.613 31.655 -0.042 1
1 219 . 5 1 1 A 25 25 LYS C C 25 178.363 177.703 0.660 1
1 220 . 5 1 1 A 26 26 SER N N 26 112.511 113.961 -1.450 1
1 221 . 5 1 1 A 26 26 SER H H 26 8.248 7.788 0.460 1
1 222 . 5 1 1 A 26 26 SER CA C 26 61.540 61.648 -0.108 1
1 223 . 5 1 1 A 26 26 SER HA H 26 3.962 3.998 -0.036 1
1 224 . 5 1 1 A 26 26 SER CB C 26 62.203 62.997 -0.794 1
1 227 . 5 1 1 A 26 26 SER C C 26 176.506 177.352 -0.846 1
1 228 . 5 1 1 A 27 27 ASN N N 27 118.519 120.160 -1.641 1
1 229 . 5 1 1 A 27 27 ASN H H 27 7.575 8.205 -0.630 1
1 230 . 5 1 1 A 27 27 ASN CA C 27 55.248 56.445 -1.197 1
1 231 . 5 1 1 A 27 27 ASN HA H 27 4.432 4.371 0.061 1
1 232 . 5 1 1 A 27 27 ASN CB C 27 37.796 37.877 -0.081 1
1 238 . 5 1 1 A 27 27 ASN C C 27 177.845 177.723 0.122 1
1 239 . 5 1 1 A 28 28 LEU N N 28 123.404 121.085 2.319 1
1 240 . 5 1 1 A 28 28 LEU H H 28 7.347 7.363 -0.016 1
1 241 . 5 1 1 A 28 28 LEU CA C 28 58.281 57.941 0.340 1
1 242 . 5 1 1 A 28 28 LEU HA H 28 3.278 2.824 0.454 1
1 243 . 5 1 1 A 28 28 LEU CB C 28 40.486 41.294 -0.808 1
1 256 . 5 1 1 A 28 28 LEU C C 28 177.276 178.381 -1.105 1
1 257 . 5 1 1 A 29 29 ILE N N 29 120.611 120.143 0.468 1
1 258 . 5 1 1 A 29 29 ILE H H 29 8.285 8.400 -0.115 1
1 259 . 5 1 1 A 29 29 ILE CA C 29 65.036 65.289 -0.253 1
1 260 . 5 1 1 A 29 29 ILE HA H 29 3.727 3.545 0.182 1
1 261 . 5 1 1 A 29 29 ILE CB C 29 37.616 37.977 -0.361 1
1 274 . 5 1 1 A 29 29 ILE C C 29 179.149 178.075 1.074 1
1 275 . 5 1 1 A 30 30 VAL N N 30 119.090 119.952 -0.862 1
1 276 . 5 1 1 A 30 30 VAL H H 30 7.578 8.295 -0.717 1
1 277 . 5 1 1 A 30 30 VAL CA C 30 66.753 66.313 0.440 1
1 278 . 5 1 1 A 30 30 VAL HA H 30 3.469 3.639 -0.170 1
1 279 . 5 1 1 A 30 30 VAL CB C 30 31.959 31.481 0.478 1
1 289 . 5 1 1 A 30 30 VAL C C 30 179.079 177.558 1.521 1
1 290 . 5 1 1 A 31 31 HIS N N 31 119.088 119.845 -0.757 1
1 291 . 5 1 1 A 31 31 HIS H H 31 7.441 7.602 -0.161 1
1 292 . 5 1 1 A 31 31 HIS CA C 31 59.210 58.696 0.514 1
1 293 . 5 1 1 A 31 31 HIS HA H 31 4.197 4.211 -0.014 1
1 294 . 5 1 1 A 31 31 HIS CB C 31 28.110 30.124 -2.014 1
1 301 . 5 1 1 A 31 31 HIS C C 31 178.149 177.279 0.870 1
1 302 . 5 1 1 A 32 32 GLN N N 32 120.672 118.921 1.751 1
1 303 . 5 1 1 A 32 32 GLN H H 32 8.973 8.053 0.920 1
1 304 . 5 1 1 A 32 32 GLN CA C 32 59.954 59.338 0.616 1
1 305 . 5 1 1 A 32 32 GLN HA H 32 3.620 3.723 -0.103 1
1 306 . 5 1 1 A 32 32 GLN CB C 32 28.132 28.622 -0.490 1
1 315 . 5 1 1 A 32 32 GLN C C 32 177.938 178.770 -0.832 1
1 316 . 5 1 1 A 33 33 ARG N N 33 117.768 119.601 -1.833 1
1 317 . 5 1 1 A 33 33 ARG H H 33 7.323 7.786 -0.463 1
1 318 . 5 1 1 A 33 33 ARG CA C 33 58.576 59.401 -0.825 1
1 319 . 5 1 1 A 33 33 ARG HA H 33 4.171 3.916 0.255 1
1 320 . 5 1 1 A 33 33 ARG CB C 33 30.016 29.943 0.073 1
1 329 . 5 1 1 A 33 33 ARG C C 33 178.202 178.906 -0.704 1
1 330 . 5 1 1 A 34 34 THR N N 34 109.590 114.216 -4.626 1
1 331 . 5 1 1 A 34 34 THR H H 34 7.812 7.903 -0.091 1
1 332 . 5 1 1 A 34 34 THR CA C 34 63.867 64.759 -0.892 1
1 333 . 5 1 1 A 34 34 THR HA H 34 4.113 3.887 0.226 1
1 334 . 5 1 1 A 34 34 THR CB C 34 69.435 68.858 0.577 1
1 340 . 5 1 1 A 34 34 THR C C 34 175.584 176.539 -0.955 1
1 341 . 5 1 1 A 35 35 HIS N N 35 118.698 116.807 1.891 1
1 342 . 5 1 1 A 35 35 HIS H H 35 7.187 7.777 -0.590 1
1 343 . 5 1 1 A 35 35 HIS CA C 35 55.498 59.124 -3.626 1
1 344 . 5 1 1 A 35 35 HIS HA H 35 4.864 4.341 0.523 1
1 345 . 5 1 1 A 35 35 HIS CB C 35 28.676 30.537 -1.861 1
1 352 . 5 1 1 A 35 35 HIS C C 35 175.584 175.861 -0.277 1
1 353 . 5 1 1 A 36 36 THR N N 36 112.399 112.082 0.317 1
1 354 . 5 1 1 A 36 36 THR H H 36 7.811 7.730 0.081 1
1 355 . 5 1 1 A 36 36 THR CA C 36 62.362 60.081 2.281 1
1 356 . 5 1 1 A 36 36 THR HA H 36 4.358 4.600 -0.242 1
1 357 . 5 1 1 A 36 36 THR CB C 36 69.845 70.064 -0.219 1
1 363 . 5 1 1 A 36 36 THR C C 36 175.377 173.566 1.811 1
1 364 . 5 1 1 A 37 37 GLY N N 37 111.020 114.802 -3.782 1
1 365 . 5 1 1 A 37 37 GLY H H 37 8.446 8.458 -0.012 1
1 366 . 5 1 1 A 37 37 GLY CA C 37 45.083 46.069 -0.986 1
1 367 . 5 1 1 A 37 37 GLY HA2 H 37 3.985 4.046 -0.061 1
1 368 . 5 1 1 A 37 37 GLY HA3 H 37 3.985 4.051 -0.066 1
1 369 . 5 1 1 A 37 37 GLY C C 37 174.005 173.175 0.830 1
1 370 . 5 1 1 A 38 38 GLU N N 38 120.659 118.667 1.992 1
1 371 . 5 1 1 A 38 38 GLU H H 38 8.132 8.233 -0.101 1
1 372 . 5 1 1 A 38 38 GLU CA C 38 56.441 55.374 1.067 1
1 373 . 5 1 1 A 38 38 GLU HA H 38 4.240 4.550 -0.310 1
1 374 . 5 1 1 A 38 38 GLU CB C 38 30.497 29.837 0.660 1
1 380 . 5 1 1 A 38 38 GLU C C 38 176.239 175.914 0.325 1
1 381 . 5 1 1 A 39 39 LYS N N 39 123.933 122.965 0.968 1
1 382 . 5 1 1 A 39 39 LYS H H 39 8.428 8.389 0.039 1
1 383 . 5 1 1 A 39 39 LYS CA C 39 54.087 54.314 -0.227 1
1 384 . 5 1 1 A 39 39 LYS HA H 39 4.601 4.826 -0.225 1
1 385 . 5 1 1 A 39 39 LYS CB C 39 32.513 33.061 -0.548 1
1 397 . 5 1 1 A 39 39 LYS C C 39 174.467 175.106 -0.639 1
1 398 . 5 1 1 A 40 40 PRO CA C 40 63.220 62.684 0.536 1
1 399 . 5 1 1 A 40 40 PRO HA H 40 4.446 4.828 -0.382 1
1 400 . 5 1 1 A 40 40 PRO CB C 40 32.146 33.085 -0.939 1
1 409 . 5 1 1 A 40 40 PRO C C 40 176.972 175.296 1.676 1
1 410 . 5 1 1 A 41 41 SER N N 41 116.493 117.527 -1.034 1
1 411 . 5 1 1 A 41 41 SER H H 41 8.462 8.742 -0.280 1
1 412 . 5 1 1 A 41 41 SER CA C 41 58.320 55.899 2.421 1
1 413 . 5 1 1 A 41 41 SER HA H 41 4.470 4.944 -0.474 1
1 414 . 5 1 1 A 41 41 SER CB C 41 64.163 65.758 -1.595 1
1 417 . 5 1 1 A 41 41 SER C C 41 174.635 175.088 -0.453 1
1 418 . 5 1 1 A 42 42 GLY CA C 42 44.675 47.975 -3.300 1
1 419 . 5 1 1 A 42 42 GLY HA2 H 42 4.151 3.844 0.307 1
1 420 . 5 1 1 A 42 42 GLY HA3 H 42 4.095 3.844 0.251 1
1 421 . 5 1 1 A 43 43 PRO CA C 43 63.213 62.858 0.355 1
1 422 . 5 1 1 A 43 43 PRO HA H 43 4.476 4.624 -0.148 1
1 423 . 5 1 1 A 43 43 PRO CB C 43 32.217 31.645 0.572 1
1 432 . 5 1 1 A 45 45 SER CA C 45 58.359 59.253 -0.894 1
1 433 . 5 1 1 A 45 45 SER HA H 45 4.496 4.038 0.458 1
1 434 . 5 1 1 A 45 45 SER CB C 45 64.036 61.858 2.178 1
1 437 . 5 1 1 A 45 45 SER C C 45 173.895 173.746 0.149 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.428 44.865 0.563 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.049 4.178 -0.129 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.049 4.180 -0.131 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.518 172.712 1.806 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.808 115.110 -2.302 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.145 8.641 -0.496 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.842 60.796 1.046 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.361 5.142 -0.781 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.802 70.207 -0.405 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.285 173.857 1.428 1
1 16 . 6 1 1 A 9 9 GLY N N 9 110.918 111.976 -1.058 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.318 8.694 -0.376 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.316 45.782 -0.466 1
1 19 . 6 1 1 A 9 9 GLY HA2 H 9 3.961 4.168 -0.207 1
1 20 . 6 1 1 A 9 9 GLY HA3 H 9 3.961 4.176 -0.215 1
1 21 . 6 1 1 A 10 10 GLU N N 10 120.269 119.448 0.821 1
1 22 . 6 1 1 A 10 10 GLU H H 10 8.223 7.909 0.314 1
1 23 . 6 1 1 A 10 10 GLU CA C 10 56.774 55.368 1.406 1
1 24 . 6 1 1 A 10 10 GLU HA H 10 4.196 4.498 -0.302 1
1 25 . 6 1 1 A 10 10 GLU CB C 10 30.450 30.294 0.156 1
1 31 . 6 1 1 A 10 10 GLU C C 10 176.312 175.774 0.538 1
1 32 . 6 1 1 A 11 11 LYS N N 11 121.676 120.397 1.279 1
1 33 . 6 1 1 A 11 11 LYS H H 11 8.287 7.300 0.987 1
1 34 . 6 1 1 A 11 11 LYS CA C 11 53.916 54.123 -0.207 1
1 35 . 6 1 1 A 11 11 LYS HA H 11 4.497 4.512 -0.015 1
1 36 . 6 1 1 A 11 11 LYS CB C 11 32.952 31.843 1.109 1
1 48 . 6 1 1 A 11 11 LYS C C 11 174.005 176.300 -2.295 1
1 49 . 6 1 1 A 12 12 PRO CA C 12 63.420 64.500 -1.080 1
1 50 . 6 1 1 A 12 12 PRO HA H 12 4.272 4.241 0.031 1
1 51 . 6 1 1 A 12 12 PRO CB C 12 32.270 31.762 0.508 1
1 60 . 6 1 1 A 12 12 PRO C C 12 176.312 175.991 0.321 1
1 61 . 6 1 1 A 13 13 PHE N N 13 118.211 117.955 0.256 1
1 62 . 6 1 1 A 13 13 PHE H H 13 8.097 7.613 0.484 1
1 63 . 6 1 1 A 13 13 PHE CA C 13 57.267 57.090 0.177 1
1 64 . 6 1 1 A 13 13 PHE HA H 13 4.640 5.223 -0.583 1
1 65 . 6 1 1 A 13 13 PHE CB C 13 39.302 41.534 -2.232 1
1 78 . 6 1 1 A 13 13 PHE C C 13 174.594 174.047 0.547 1
1 79 . 6 1 1 A 14 14 GLU N N 14 124.060 123.312 0.748 1
1 80 . 6 1 1 A 14 14 GLU H H 14 8.568 9.088 -0.520 1
1 81 . 6 1 1 A 14 14 GLU CA C 14 55.291 54.723 0.568 1
1 82 . 6 1 1 A 14 14 GLU HA H 14 4.849 5.579 -0.730 1
1 83 . 6 1 1 A 14 14 GLU CB C 14 32.713 33.584 -0.871 1
1 89 . 6 1 1 A 14 14 GLU C C 14 175.419 174.931 0.488 1
1 90 . 6 1 1 A 15 15 CYS N N 15 126.818 125.023 1.795 1
1 91 . 6 1 1 A 15 15 CYS H H 15 9.101 9.183 -0.082 1
1 92 . 6 1 1 A 15 15 CYS CA C 15 59.631 59.068 0.563 1
1 93 . 6 1 1 A 15 15 CYS HA H 15 4.558 4.753 -0.195 1
1 94 . 6 1 1 A 15 15 CYS CB C 15 29.865 28.781 1.084 1
1 97 . 6 1 1 A 15 15 CYS C C 15 176.885 176.000 0.885 1
1 98 . 6 1 1 A 16 16 SER N N 16 112.930 117.684 -4.754 1
1 99 . 6 1 1 A 16 16 SER H H 16 9.124 8.487 0.637 1
1 100 . 6 1 1 A 16 16 SER CA C 16 60.826 59.061 1.765 1
1 101 . 6 1 1 A 16 16 SER HA H 16 4.356 4.461 -0.105 1
1 102 . 6 1 1 A 16 16 SER CB C 16 63.144 64.305 -1.161 1
1 105 . 6 1 1 A 16 16 SER C C 16 174.769 176.424 -1.655 1
1 106 . 6 1 1 A 17 17 GLU N N 17 123.223 121.652 1.571 1
1 107 . 6 1 1 A 17 17 GLU H H 17 8.865 7.986 0.879 1
1 108 . 6 1 1 A 17 17 GLU CA C 17 57.918 58.704 -0.786 1
1 109 . 6 1 1 A 17 17 GLU HA H 17 4.287 4.073 0.214 1
1 110 . 6 1 1 A 17 17 GLU CB C 17 29.917 29.797 0.120 1
1 116 . 6 1 1 A 17 17 GLU C C 17 176.999 178.559 -1.560 1
1 117 . 6 1 1 A 18 18 CYS N N 18 116.163 115.311 0.852 1
1 118 . 6 1 1 A 18 18 CYS H H 18 7.875 7.745 0.130 1
1 119 . 6 1 1 A 18 18 CYS CA C 18 58.661 59.403 -0.742 1
1 120 . 6 1 1 A 18 18 CYS HA H 18 5.031 4.510 0.521 1
1 121 . 6 1 1 A 18 18 CYS CB C 18 31.745 29.068 2.677 1
1 124 . 6 1 1 A 18 18 CYS C C 18 174.845 174.816 0.029 1
1 125 . 6 1 1 A 19 19 GLN N N 19 116.345 116.467 -0.122 1
1 126 . 6 1 1 A 19 19 GLN H H 19 8.133 7.953 0.180 1
1 127 . 6 1 1 A 19 19 GLN CA C 19 58.722 57.025 1.697 1
1 128 . 6 1 1 A 19 19 GLN HA H 19 4.117 4.257 -0.140 1
1 129 . 6 1 1 A 19 19 GLN CB C 19 26.290 26.297 -0.007 1
1 138 . 6 1 1 A 19 19 GLN C C 19 174.950 174.431 0.519 1
1 139 . 6 1 1 A 20 20 LYS N N 20 121.633 119.615 2.018 1
1 140 . 6 1 1 A 20 20 LYS H H 20 7.934 7.919 0.015 1
1 141 . 6 1 1 A 20 20 LYS CA C 20 57.862 56.220 1.642 1
1 142 . 6 1 1 A 20 20 LYS HA H 20 4.083 4.243 -0.160 1
1 143 . 6 1 1 A 20 20 LYS CB C 20 34.143 33.650 0.493 1
1 155 . 6 1 1 A 20 20 LYS C C 20 173.968 175.576 -1.608 1
1 156 . 6 1 1 A 21 21 ALA N N 21 123.578 126.822 -3.244 1
1 157 . 6 1 1 A 21 21 ALA H H 21 7.807 8.400 -0.593 1
1 158 . 6 1 1 A 21 21 ALA CA C 21 50.538 50.471 0.067 1
1 159 . 6 1 1 A 21 21 ALA HA H 21 5.067 5.556 -0.489 1
1 160 . 6 1 1 A 21 21 ALA CB C 21 22.260 20.782 1.478 1
1 164 . 6 1 1 A 21 21 ALA C C 21 176.143 176.667 -0.524 1
1 165 . 6 1 1 A 22 22 PHE N N 22 116.532 119.357 -2.825 1
1 166 . 6 1 1 A 22 22 PHE H H 22 8.637 8.821 -0.184 1
1 167 . 6 1 1 A 22 22 PHE CA C 22 57.465 56.356 1.109 1
1 168 . 6 1 1 A 22 22 PHE HA H 22 4.665 4.862 -0.197 1
1 169 . 6 1 1 A 22 22 PHE CB C 22 43.945 42.990 0.955 1
1 182 . 6 1 1 A 22 22 PHE C C 22 175.082 175.807 -0.725 1
1 183 . 6 1 1 A 23 23 ASN CA C 23 55.192 55.765 -0.573 1
1 184 . 6 1 1 A 23 23 ASN HA H 23 4.880 4.889 -0.009 1
1 185 . 6 1 1 A 23 23 ASN CB C 23 39.136 40.451 -1.315 1
1 191 . 6 1 1 A 23 23 ASN C C 23 175.375 175.635 -0.260 1
1 192 . 6 1 1 A 24 24 THR N N 24 120.293 111.658 8.635 1
1 193 . 6 1 1 A 24 24 THR H H 24 7.421 7.886 -0.465 1
1 194 . 6 1 1 A 24 24 THR CA C 24 58.831 59.118 -0.287 1
1 195 . 6 1 1 A 24 24 THR HA H 24 4.637 4.758 -0.121 1
1 196 . 6 1 1 A 24 24 THR CB C 24 72.609 71.574 1.035 1
1 202 . 6 1 1 A 24 24 THR C C 24 173.507 174.949 -1.442 1
1 203 . 6 1 1 A 25 25 LYS N N 25 124.488 122.815 1.673 1
1 204 . 6 1 1 A 25 25 LYS H H 25 8.175 8.628 -0.453 1
1 205 . 6 1 1 A 25 25 LYS CA C 25 58.622 59.247 -0.625 1
1 206 . 6 1 1 A 25 25 LYS HA H 25 3.105 3.177 -0.072 1
1 207 . 6 1 1 A 25 25 LYS CB C 25 31.613 31.807 -0.194 1
1 219 . 6 1 1 A 25 25 LYS C C 25 178.363 177.937 0.426 1
1 220 . 6 1 1 A 26 26 SER N N 26 112.511 114.684 -2.173 1
1 221 . 6 1 1 A 26 26 SER H H 26 8.248 8.236 0.012 1
1 222 . 6 1 1 A 26 26 SER CA C 26 61.540 61.201 0.339 1
1 223 . 6 1 1 A 26 26 SER HA H 26 3.962 4.058 -0.096 1
1 224 . 6 1 1 A 26 26 SER CB C 26 62.203 62.516 -0.313 1
1 227 . 6 1 1 A 26 26 SER C C 26 176.506 176.824 -0.318 1
1 228 . 6 1 1 A 27 27 ASN N N 27 118.519 120.725 -2.206 1
1 229 . 6 1 1 A 27 27 ASN H H 27 7.575 8.019 -0.444 1
1 230 . 6 1 1 A 27 27 ASN CA C 27 55.248 56.398 -1.150 1
1 231 . 6 1 1 A 27 27 ASN HA H 27 4.432 4.413 0.019 1
1 232 . 6 1 1 A 27 27 ASN CB C 27 37.796 38.113 -0.317 1
1 238 . 6 1 1 A 27 27 ASN C C 27 177.845 177.702 0.143 1
1 239 . 6 1 1 A 28 28 LEU N N 28 123.404 120.547 2.857 1
1 240 . 6 1 1 A 28 28 LEU H H 28 7.347 7.384 -0.037 1
1 241 . 6 1 1 A 28 28 LEU CA C 28 58.281 57.627 0.654 1
1 242 . 6 1 1 A 28 28 LEU HA H 28 3.278 2.475 0.803 1
1 243 . 6 1 1 A 28 28 LEU CB C 28 40.486 41.293 -0.807 1
1 256 . 6 1 1 A 28 28 LEU C C 28 177.276 178.655 -1.379 1
1 257 . 6 1 1 A 29 29 ILE N N 29 120.611 120.227 0.384 1
1 258 . 6 1 1 A 29 29 ILE H H 29 8.285 8.353 -0.068 1
1 259 . 6 1 1 A 29 29 ILE CA C 29 65.036 65.294 -0.258 1
1 260 . 6 1 1 A 29 29 ILE HA H 29 3.727 3.899 -0.172 1
1 261 . 6 1 1 A 29 29 ILE CB C 29 37.616 37.799 -0.183 1
1 274 . 6 1 1 A 29 29 ILE C C 29 179.149 178.263 0.886 1
1 275 . 6 1 1 A 30 30 VAL N N 30 119.090 119.698 -0.608 1
1 276 . 6 1 1 A 30 30 VAL H H 30 7.578 8.139 -0.561 1
1 277 . 6 1 1 A 30 30 VAL CA C 30 66.753 66.387 0.366 1
1 278 . 6 1 1 A 30 30 VAL HA H 30 3.469 3.567 -0.098 1
1 279 . 6 1 1 A 30 30 VAL CB C 30 31.959 31.431 0.528 1
1 289 . 6 1 1 A 30 30 VAL C C 30 179.079 178.377 0.702 1
1 290 . 6 1 1 A 31 31 HIS N N 31 119.088 119.947 -0.859 1
1 291 . 6 1 1 A 31 31 HIS H H 31 7.441 7.917 -0.476 1
1 292 . 6 1 1 A 31 31 HIS CA C 31 59.210 59.405 -0.195 1
1 293 . 6 1 1 A 31 31 HIS HA H 31 4.197 4.200 -0.003 1
1 294 . 6 1 1 A 31 31 HIS CB C 31 28.110 30.037 -1.927 1
1 301 . 6 1 1 A 31 31 HIS C C 31 178.149 176.786 1.363 1
1 302 . 6 1 1 A 32 32 GLN N N 32 120.672 117.384 3.288 1
1 303 . 6 1 1 A 32 32 GLN H H 32 8.973 8.356 0.617 1
1 304 . 6 1 1 A 32 32 GLN CA C 32 59.954 59.260 0.694 1
1 305 . 6 1 1 A 32 32 GLN HA H 32 3.620 3.904 -0.284 1
1 306 . 6 1 1 A 32 32 GLN CB C 32 28.132 28.267 -0.135 1
1 315 . 6 1 1 A 32 32 GLN C C 32 177.938 178.611 -0.673 1
1 316 . 6 1 1 A 33 33 ARG N N 33 117.768 119.603 -1.835 1
1 317 . 6 1 1 A 33 33 ARG H H 33 7.323 7.672 -0.349 1
1 318 . 6 1 1 A 33 33 ARG CA C 33 58.576 59.597 -1.021 1
1 319 . 6 1 1 A 33 33 ARG HA H 33 4.171 4.007 0.164 1
1 320 . 6 1 1 A 33 33 ARG CB C 33 30.016 29.812 0.204 1
1 329 . 6 1 1 A 33 33 ARG C C 33 178.202 178.878 -0.676 1
1 330 . 6 1 1 A 34 34 THR N N 34 109.590 114.430 -4.840 1
1 331 . 6 1 1 A 34 34 THR H H 34 7.812 8.395 -0.583 1
1 332 . 6 1 1 A 34 34 THR CA C 34 63.867 65.634 -1.767 1
1 333 . 6 1 1 A 34 34 THR HA H 34 4.113 3.887 0.226 1
1 334 . 6 1 1 A 34 34 THR CB C 34 69.435 68.712 0.723 1
1 340 . 6 1 1 A 34 34 THR C C 34 175.584 176.883 -1.299 1
1 341 . 6 1 1 A 35 35 HIS N N 35 118.698 116.869 1.829 1
1 342 . 6 1 1 A 35 35 HIS H H 35 7.187 7.645 -0.458 1
1 343 . 6 1 1 A 35 35 HIS CA C 35 55.498 58.943 -3.445 1
1 344 . 6 1 1 A 35 35 HIS HA H 35 4.864 4.417 0.447 1
1 345 . 6 1 1 A 35 35 HIS CB C 35 28.676 29.794 -1.118 1
1 352 . 6 1 1 A 35 35 HIS C C 35 175.584 175.748 -0.164 1
1 353 . 6 1 1 A 36 36 THR N N 36 112.399 110.310 2.089 1
1 354 . 6 1 1 A 36 36 THR H H 36 7.811 7.651 0.160 1
1 355 . 6 1 1 A 36 36 THR CA C 36 62.362 61.322 1.040 1
1 356 . 6 1 1 A 36 36 THR HA H 36 4.358 4.351 0.007 1
1 357 . 6 1 1 A 36 36 THR CB C 36 69.845 70.029 -0.184 1
1 363 . 6 1 1 A 36 36 THR C C 36 175.377 174.174 1.203 1
1 364 . 6 1 1 A 37 37 GLY N N 37 111.020 110.185 0.835 1
1 365 . 6 1 1 A 37 37 GLY H H 37 8.446 8.373 0.073 1
1 366 . 6 1 1 A 37 37 GLY CA C 37 45.083 45.399 -0.316 1
1 367 . 6 1 1 A 37 37 GLY HA2 H 37 3.985 4.003 -0.018 1
1 368 . 6 1 1 A 37 37 GLY HA3 H 37 3.985 4.007 -0.022 1
1 369 . 6 1 1 A 37 37 GLY C C 37 174.005 174.780 -0.775 1
1 370 . 6 1 1 A 38 38 GLU N N 38 120.659 120.990 -0.331 1
1 371 . 6 1 1 A 38 38 GLU H H 38 8.132 7.951 0.181 1
1 372 . 6 1 1 A 38 38 GLU CA C 38 56.441 57.006 -0.565 1
1 373 . 6 1 1 A 38 38 GLU HA H 38 4.240 4.301 -0.061 1
1 374 . 6 1 1 A 38 38 GLU CB C 38 30.497 29.923 0.574 1
1 380 . 6 1 1 A 38 38 GLU C C 38 176.239 175.985 0.254 1
1 381 . 6 1 1 A 39 39 LYS N N 39 123.933 124.946 -1.013 1
1 382 . 6 1 1 A 39 39 LYS H H 39 8.428 8.403 0.025 1
1 383 . 6 1 1 A 39 39 LYS CA C 39 54.087 53.311 0.776 1
1 384 . 6 1 1 A 39 39 LYS HA H 39 4.601 4.783 -0.182 1
1 385 . 6 1 1 A 39 39 LYS CB C 39 32.513 33.569 -1.056 1
1 397 . 6 1 1 A 39 39 LYS C C 39 174.467 176.390 -1.923 1
1 398 . 6 1 1 A 40 40 PRO CA C 40 63.220 64.976 -1.756 1
1 399 . 6 1 1 A 40 40 PRO HA H 40 4.446 4.357 0.089 1
1 400 . 6 1 1 A 40 40 PRO CB C 40 32.146 32.380 -0.234 1
1 409 . 6 1 1 A 40 40 PRO C C 40 176.972 176.284 0.688 1
1 410 . 6 1 1 A 41 41 SER N N 41 116.493 111.528 4.965 1
1 411 . 6 1 1 A 41 41 SER H H 41 8.462 7.668 0.794 1
1 412 . 6 1 1 A 41 41 SER CA C 41 58.320 56.830 1.490 1
1 413 . 6 1 1 A 41 41 SER HA H 41 4.470 4.673 -0.203 1
1 414 . 6 1 1 A 41 41 SER CB C 41 64.163 65.906 -1.743 1
1 417 . 6 1 1 A 41 41 SER C C 41 174.635 174.895 -0.260 1
1 418 . 6 1 1 A 42 42 GLY CA C 42 44.675 47.062 -2.387 1
1 419 . 6 1 1 A 42 42 GLY HA2 H 42 4.151 3.896 0.255 1
1 420 . 6 1 1 A 42 42 GLY HA3 H 42 4.095 3.896 0.199 1
1 421 . 6 1 1 A 43 43 PRO CA C 43 63.213 64.868 -1.655 1
1 422 . 6 1 1 A 43 43 PRO HA H 43 4.476 4.355 0.121 1
1 423 . 6 1 1 A 43 43 PRO CB C 43 32.217 31.884 0.333 1
1 432 . 6 1 1 A 45 45 SER CA C 45 58.359 58.159 0.200 1
1 433 . 6 1 1 A 45 45 SER HA H 45 4.496 4.690 -0.194 1
1 434 . 6 1 1 A 45 45 SER CB C 45 64.036 64.625 -0.589 1
1 437 . 6 1 1 A 45 45 SER C C 45 173.895 175.342 -1.447 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.428 45.477 -0.049 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.049 4.168 -0.119 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.049 4.172 -0.123 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.518 172.980 1.538 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.808 121.078 -8.270 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.145 8.667 -0.522 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.842 63.793 -1.951 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.361 4.241 0.120 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.802 67.988 1.814 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.285 175.193 0.092 1
1 16 . 7 1 1 A 9 9 GLY N N 9 110.918 115.465 -4.547 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.318 8.458 -0.140 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.316 46.766 -1.450 1
1 19 . 7 1 1 A 9 9 GLY HA2 H 9 3.961 3.912 0.049 1
1 20 . 7 1 1 A 9 9 GLY HA3 H 9 3.961 3.913 0.048 1
1 21 . 7 1 1 A 10 10 GLU N N 10 120.269 122.340 -2.071 1
1 22 . 7 1 1 A 10 10 GLU H H 10 8.223 8.398 -0.175 1
1 23 . 7 1 1 A 10 10 GLU CA C 10 56.774 56.018 0.756 1
1 24 . 7 1 1 A 10 10 GLU HA H 10 4.196 4.492 -0.296 1
1 25 . 7 1 1 A 10 10 GLU CB C 10 30.450 30.981 -0.531 1
1 31 . 7 1 1 A 10 10 GLU C C 10 176.312 175.919 0.393 1
1 32 . 7 1 1 A 11 11 LYS N N 11 121.676 124.255 -2.579 1
1 33 . 7 1 1 A 11 11 LYS H H 11 8.287 8.355 -0.068 1
1 34 . 7 1 1 A 11 11 LYS CA C 11 53.916 53.458 0.458 1
1 35 . 7 1 1 A 11 11 LYS HA H 11 4.497 4.764 -0.267 1
1 36 . 7 1 1 A 11 11 LYS CB C 11 32.952 33.142 -0.190 1
1 48 . 7 1 1 A 11 11 LYS C C 11 174.005 176.489 -2.484 1
1 49 . 7 1 1 A 12 12 PRO CA C 12 63.420 64.829 -1.409 1
1 50 . 7 1 1 A 12 12 PRO HA H 12 4.272 4.272 0.000 1
1 51 . 7 1 1 A 12 12 PRO CB C 12 32.270 31.656 0.614 1
1 60 . 7 1 1 A 12 12 PRO C C 12 176.312 176.123 0.189 1
1 61 . 7 1 1 A 13 13 PHE N N 13 118.211 118.220 -0.009 1
1 62 . 7 1 1 A 13 13 PHE H H 13 8.097 7.345 0.752 1
1 63 . 7 1 1 A 13 13 PHE CA C 13 57.267 57.368 -0.101 1
1 64 . 7 1 1 A 13 13 PHE HA H 13 4.640 5.013 -0.373 1
1 65 . 7 1 1 A 13 13 PHE CB C 13 39.302 41.145 -1.843 1
1 78 . 7 1 1 A 13 13 PHE C C 13 174.594 174.951 -0.357 1
1 79 . 7 1 1 A 14 14 GLU N N 14 124.060 121.899 2.161 1
1 80 . 7 1 1 A 14 14 GLU H H 14 8.568 9.096 -0.528 1
1 81 . 7 1 1 A 14 14 GLU CA C 14 55.291 54.942 0.349 1
1 82 . 7 1 1 A 14 14 GLU HA H 14 4.849 5.533 -0.684 1
1 83 . 7 1 1 A 14 14 GLU CB C 14 32.713 33.629 -0.916 1
1 89 . 7 1 1 A 14 14 GLU C C 14 175.419 174.443 0.976 1
1 90 . 7 1 1 A 15 15 CYS N N 15 126.818 124.382 2.436 1
1 91 . 7 1 1 A 15 15 CYS H H 15 9.101 9.503 -0.402 1
1 92 . 7 1 1 A 15 15 CYS CA C 15 59.631 59.053 0.578 1
1 93 . 7 1 1 A 15 15 CYS HA H 15 4.558 4.752 -0.194 1
1 94 . 7 1 1 A 15 15 CYS CB C 15 29.865 29.016 0.849 1
1 97 . 7 1 1 A 15 15 CYS C C 15 176.885 174.626 2.259 1
1 98 . 7 1 1 A 16 16 SER N N 16 112.930 119.710 -6.780 1
1 99 . 7 1 1 A 16 16 SER H H 16 9.124 8.942 0.182 1
1 100 . 7 1 1 A 16 16 SER CA C 16 60.826 59.139 1.687 1
1 101 . 7 1 1 A 16 16 SER HA H 16 4.356 4.544 -0.188 1
1 102 . 7 1 1 A 16 16 SER CB C 16 63.144 65.025 -1.881 1
1 105 . 7 1 1 A 16 16 SER C C 16 174.769 176.147 -1.378 1
1 106 . 7 1 1 A 17 17 GLU N N 17 123.223 120.559 2.664 1
1 107 . 7 1 1 A 17 17 GLU H H 17 8.865 8.125 0.740 1
1 108 . 7 1 1 A 17 17 GLU CA C 17 57.918 58.512 -0.594 1
1 109 . 7 1 1 A 17 17 GLU HA H 17 4.287 4.217 0.070 1
1 110 . 7 1 1 A 17 17 GLU CB C 17 29.917 30.157 -0.240 1
1 116 . 7 1 1 A 17 17 GLU C C 17 176.999 178.339 -1.340 1
1 117 . 7 1 1 A 18 18 CYS N N 18 116.163 115.713 0.450 1
1 118 . 7 1 1 A 18 18 CYS H H 18 7.875 7.806 0.069 1
1 119 . 7 1 1 A 18 18 CYS CA C 18 58.661 59.164 -0.503 1
1 120 . 7 1 1 A 18 18 CYS HA H 18 5.031 4.461 0.570 1
1 121 . 7 1 1 A 18 18 CYS CB C 18 31.745 28.333 3.412 1
1 124 . 7 1 1 A 18 18 CYS C C 18 174.845 174.315 0.530 1
1 125 . 7 1 1 A 19 19 GLN N N 19 116.345 116.809 -0.464 1
1 126 . 7 1 1 A 19 19 GLN H H 19 8.133 7.974 0.159 1
1 127 . 7 1 1 A 19 19 GLN CA C 19 58.722 56.903 1.819 1
1 128 . 7 1 1 A 19 19 GLN HA H 19 4.117 3.881 0.236 1
1 129 . 7 1 1 A 19 19 GLN CB C 19 26.290 26.239 0.051 1
1 138 . 7 1 1 A 19 19 GLN C C 19 174.950 174.323 0.627 1
1 139 . 7 1 1 A 20 20 LYS N N 20 121.633 119.316 2.317 1
1 140 . 7 1 1 A 20 20 LYS H H 20 7.934 7.898 0.036 1
1 141 . 7 1 1 A 20 20 LYS CA C 20 57.862 56.181 1.681 1
1 142 . 7 1 1 A 20 20 LYS HA H 20 4.083 4.355 -0.272 1
1 143 . 7 1 1 A 20 20 LYS CB C 20 34.143 33.667 0.476 1
1 155 . 7 1 1 A 20 20 LYS C C 20 173.968 175.534 -1.566 1
1 156 . 7 1 1 A 21 21 ALA N N 21 123.578 126.332 -2.754 1
1 157 . 7 1 1 A 21 21 ALA H H 21 7.807 8.326 -0.519 1
1 158 . 7 1 1 A 21 21 ALA CA C 21 50.538 51.214 -0.676 1
1 159 . 7 1 1 A 21 21 ALA HA H 21 5.067 5.099 -0.032 1
1 160 . 7 1 1 A 21 21 ALA CB C 21 22.260 20.757 1.503 1
1 164 . 7 1 1 A 21 21 ALA C C 21 176.143 176.649 -0.506 1
1 165 . 7 1 1 A 22 22 PHE N N 22 116.532 118.679 -2.147 1
1 166 . 7 1 1 A 22 22 PHE H H 22 8.637 8.925 -0.288 1
1 167 . 7 1 1 A 22 22 PHE CA C 22 57.465 56.514 0.951 1
1 168 . 7 1 1 A 22 22 PHE HA H 22 4.665 4.958 -0.293 1
1 169 . 7 1 1 A 22 22 PHE CB C 22 43.945 42.178 1.767 1
1 182 . 7 1 1 A 22 22 PHE C C 22 175.082 175.845 -0.763 1
1 183 . 7 1 1 A 23 23 ASN CA C 23 55.192 56.346 -1.154 1
1 184 . 7 1 1 A 23 23 ASN HA H 23 4.880 4.658 0.222 1
1 185 . 7 1 1 A 23 23 ASN CB C 23 39.136 38.654 0.482 1
1 191 . 7 1 1 A 23 23 ASN C C 23 175.375 175.510 -0.135 1
1 192 . 7 1 1 A 24 24 THR N N 24 120.293 108.446 11.847 1
1 193 . 7 1 1 A 24 24 THR H H 24 7.421 7.787 -0.366 1
1 194 . 7 1 1 A 24 24 THR CA C 24 58.831 59.108 -0.277 1
1 195 . 7 1 1 A 24 24 THR HA H 24 4.637 4.637 0.000 1
1 196 . 7 1 1 A 24 24 THR CB C 24 72.609 71.784 0.825 1
1 202 . 7 1 1 A 24 24 THR C C 24 173.507 174.580 -1.073 1
1 203 . 7 1 1 A 25 25 LYS N N 25 124.488 122.160 2.328 1
1 204 . 7 1 1 A 25 25 LYS H H 25 8.175 7.771 0.404 1
1 205 . 7 1 1 A 25 25 LYS CA C 25 58.622 59.760 -1.138 1
1 206 . 7 1 1 A 25 25 LYS HA H 25 3.105 3.248 -0.143 1
1 207 . 7 1 1 A 25 25 LYS CB C 25 31.613 31.613 0.000 1
1 219 . 7 1 1 A 25 25 LYS C C 25 178.363 177.723 0.640 1
1 220 . 7 1 1 A 26 26 SER N N 26 112.511 114.708 -2.197 1
1 221 . 7 1 1 A 26 26 SER H H 26 8.248 8.155 0.093 1
1 222 . 7 1 1 A 26 26 SER CA C 26 61.540 61.220 0.320 1
1 223 . 7 1 1 A 26 26 SER HA H 26 3.962 4.106 -0.144 1
1 224 . 7 1 1 A 26 26 SER CB C 26 62.203 62.608 -0.405 1
1 227 . 7 1 1 A 26 26 SER C C 26 176.506 176.627 -0.121 1
1 228 . 7 1 1 A 27 27 ASN N N 27 118.519 119.269 -0.750 1
1 229 . 7 1 1 A 27 27 ASN H H 27 7.575 8.055 -0.480 1
1 230 . 7 1 1 A 27 27 ASN CA C 27 55.248 56.789 -1.541 1
1 231 . 7 1 1 A 27 27 ASN HA H 27 4.432 4.425 0.007 1
1 232 . 7 1 1 A 27 27 ASN CB C 27 37.796 39.057 -1.261 1
1 238 . 7 1 1 A 27 27 ASN C C 27 177.845 177.227 0.618 1
1 239 . 7 1 1 A 28 28 LEU N N 28 123.404 119.591 3.813 1
1 240 . 7 1 1 A 28 28 LEU H H 28 7.347 7.407 -0.060 1
1 241 . 7 1 1 A 28 28 LEU CA C 28 58.281 57.096 1.185 1
1 242 . 7 1 1 A 28 28 LEU HA H 28 3.278 2.132 1.146 1
1 243 . 7 1 1 A 28 28 LEU CB C 28 40.486 40.977 -0.491 1
1 256 . 7 1 1 A 28 28 LEU C C 28 177.276 178.165 -0.889 1
1 257 . 7 1 1 A 29 29 ILE N N 29 120.611 119.480 1.131 1
1 258 . 7 1 1 A 29 29 ILE H H 29 8.285 8.234 0.051 1
1 259 . 7 1 1 A 29 29 ILE CA C 29 65.036 65.182 -0.146 1
1 260 . 7 1 1 A 29 29 ILE HA H 29 3.727 3.440 0.287 1
1 261 . 7 1 1 A 29 29 ILE CB C 29 37.616 37.662 -0.046 1
1 274 . 7 1 1 A 29 29 ILE C C 29 179.149 178.069 1.080 1
1 275 . 7 1 1 A 30 30 VAL N N 30 119.090 120.027 -0.937 1
1 276 . 7 1 1 A 30 30 VAL H H 30 7.578 7.883 -0.305 1
1 277 . 7 1 1 A 30 30 VAL CA C 30 66.753 66.340 0.413 1
1 278 . 7 1 1 A 30 30 VAL HA H 30 3.469 3.628 -0.159 1
1 279 . 7 1 1 A 30 30 VAL CB C 30 31.959 31.360 0.599 1
1 289 . 7 1 1 A 30 30 VAL C C 30 179.079 178.311 0.768 1
1 290 . 7 1 1 A 31 31 HIS N N 31 119.088 119.330 -0.242 1
1 291 . 7 1 1 A 31 31 HIS H H 31 7.441 7.408 0.033 1
1 292 . 7 1 1 A 31 31 HIS CA C 31 59.210 59.597 -0.387 1
1 293 . 7 1 1 A 31 31 HIS HA H 31 4.197 4.203 -0.006 1
1 294 . 7 1 1 A 31 31 HIS CB C 31 28.110 29.737 -1.627 1
1 301 . 7 1 1 A 31 31 HIS C C 31 178.149 176.677 1.472 1
1 302 . 7 1 1 A 32 32 GLN N N 32 120.672 117.361 3.311 1
1 303 . 7 1 1 A 32 32 GLN H H 32 8.973 8.561 0.412 1
1 304 . 7 1 1 A 32 32 GLN CA C 32 59.954 59.317 0.637 1
1 305 . 7 1 1 A 32 32 GLN HA H 32 3.620 3.904 -0.284 1
1 306 . 7 1 1 A 32 32 GLN CB C 32 28.132 28.222 -0.090 1
1 315 . 7 1 1 A 32 32 GLN C C 32 177.938 178.695 -0.757 1
1 316 . 7 1 1 A 33 33 ARG N N 33 117.768 119.252 -1.484 1
1 317 . 7 1 1 A 33 33 ARG H H 33 7.323 7.738 -0.415 1
1 318 . 7 1 1 A 33 33 ARG CA C 33 58.576 59.381 -0.805 1
1 319 . 7 1 1 A 33 33 ARG HA H 33 4.171 4.145 0.026 1
1 320 . 7 1 1 A 33 33 ARG CB C 33 30.016 30.005 0.011 1
1 329 . 7 1 1 A 33 33 ARG C C 33 178.202 178.214 -0.012 1
1 330 . 7 1 1 A 34 34 THR N N 34 109.590 112.543 -2.953 1
1 331 . 7 1 1 A 34 34 THR H H 34 7.812 8.399 -0.587 1
1 332 . 7 1 1 A 34 34 THR CA C 34 63.867 65.194 -1.327 1
1 333 . 7 1 1 A 34 34 THR HA H 34 4.113 3.959 0.154 1
1 334 . 7 1 1 A 34 34 THR CB C 34 69.435 67.884 1.551 1
1 340 . 7 1 1 A 34 34 THR C C 34 175.584 176.913 -1.329 1
1 341 . 7 1 1 A 35 35 HIS N N 35 118.698 119.289 -0.591 1
1 342 . 7 1 1 A 35 35 HIS H H 35 7.187 7.604 -0.417 1
1 343 . 7 1 1 A 35 35 HIS CA C 35 55.498 59.457 -3.959 1
1 344 . 7 1 1 A 35 35 HIS HA H 35 4.864 4.314 0.550 1
1 345 . 7 1 1 A 35 35 HIS CB C 35 28.676 30.604 -1.928 1
1 352 . 7 1 1 A 35 35 HIS C C 35 175.584 175.715 -0.131 1
1 353 . 7 1 1 A 36 36 THR N N 36 112.399 108.989 3.410 1
1 354 . 7 1 1 A 36 36 THR H H 36 7.811 7.328 0.483 1
1 355 . 7 1 1 A 36 36 THR CA C 36 62.362 61.332 1.030 1
1 356 . 7 1 1 A 36 36 THR HA H 36 4.358 4.408 -0.050 1
1 357 . 7 1 1 A 36 36 THR CB C 36 69.845 69.150 0.695 1
1 363 . 7 1 1 A 36 36 THR C C 36 175.377 174.484 0.893 1
1 364 . 7 1 1 A 37 37 GLY N N 37 111.020 112.080 -1.060 1
1 365 . 7 1 1 A 37 37 GLY H H 37 8.446 8.501 -0.055 1
1 366 . 7 1 1 A 37 37 GLY CA C 37 45.083 44.904 0.179 1
1 367 . 7 1 1 A 37 37 GLY HA2 H 37 3.985 4.194 -0.209 1
1 368 . 7 1 1 A 37 37 GLY HA3 H 37 3.985 4.195 -0.210 1
1 369 . 7 1 1 A 37 37 GLY C C 37 174.005 172.165 1.840 1
1 370 . 7 1 1 A 38 38 GLU N N 38 120.659 122.021 -1.362 1
1 371 . 7 1 1 A 38 38 GLU H H 38 8.132 9.273 -1.141 1
1 372 . 7 1 1 A 38 38 GLU CA C 38 56.441 54.496 1.945 1
1 373 . 7 1 1 A 38 38 GLU HA H 38 4.240 5.061 -0.821 1
1 374 . 7 1 1 A 38 38 GLU CB C 38 30.497 33.553 -3.056 1
1 380 . 7 1 1 A 38 38 GLU C C 38 176.239 174.584 1.655 1
1 381 . 7 1 1 A 39 39 LYS N N 39 123.933 123.613 0.320 1
1 382 . 7 1 1 A 39 39 LYS H H 39 8.428 8.625 -0.197 1
1 383 . 7 1 1 A 39 39 LYS CA C 39 54.087 52.812 1.275 1
1 384 . 7 1 1 A 39 39 LYS HA H 39 4.601 4.776 -0.175 1
1 385 . 7 1 1 A 39 39 LYS CB C 39 32.513 33.386 -0.873 1
1 397 . 7 1 1 A 39 39 LYS C C 39 174.467 174.354 0.113 1
1 398 . 7 1 1 A 40 40 PRO CA C 40 63.220 62.823 0.397 1
1 399 . 7 1 1 A 40 40 PRO HA H 40 4.446 4.629 -0.183 1
1 400 . 7 1 1 A 40 40 PRO CB C 40 32.146 31.902 0.244 1
1 409 . 7 1 1 A 40 40 PRO C C 40 176.972 176.626 0.346 1
1 410 . 7 1 1 A 41 41 SER N N 41 116.493 117.675 -1.182 1
1 411 . 7 1 1 A 41 41 SER H H 41 8.462 8.522 -0.060 1
1 412 . 7 1 1 A 41 41 SER CA C 41 58.320 57.468 0.852 1
1 413 . 7 1 1 A 41 41 SER HA H 41 4.470 4.580 -0.110 1
1 414 . 7 1 1 A 41 41 SER CB C 41 64.163 65.041 -0.878 1
1 417 . 7 1 1 A 41 41 SER C C 41 174.635 174.508 0.127 1
1 418 . 7 1 1 A 42 42 GLY CA C 42 44.675 44.980 -0.305 1
1 419 . 7 1 1 A 42 42 GLY HA2 H 42 4.151 4.103 0.048 1
1 420 . 7 1 1 A 42 42 GLY HA3 H 42 4.095 4.103 -0.008 1
1 421 . 7 1 1 A 43 43 PRO CA C 43 63.213 64.151 -0.938 1
1 422 . 7 1 1 A 43 43 PRO HA H 43 4.476 4.431 0.045 1
1 423 . 7 1 1 A 43 43 PRO CB C 43 32.217 31.966 0.251 1
1 432 . 7 1 1 A 45 45 SER CA C 45 58.359 59.663 -1.304 1
1 433 . 7 1 1 A 45 45 SER HA H 45 4.496 4.613 -0.117 1
1 434 . 7 1 1 A 45 45 SER CB C 45 64.036 64.868 -0.832 1
1 437 . 7 1 1 A 45 45 SER C C 45 173.895 175.869 -1.974 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.428 44.660 0.768 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.049 4.013 0.036 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.049 4.014 0.035 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.518 174.450 0.068 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.808 115.028 -2.220 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.145 8.660 -0.515 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.842 61.356 0.486 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.361 4.557 -0.196 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.802 67.590 2.212 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.285 173.727 1.558 1
1 16 . 8 1 1 A 9 9 GLY N N 9 110.918 109.810 1.108 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.318 7.946 0.372 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.316 44.944 0.372 1
1 19 . 8 1 1 A 9 9 GLY HA2 H 9 3.961 4.218 -0.257 1
1 20 . 8 1 1 A 9 9 GLY HA3 H 9 3.961 4.220 -0.259 1
1 21 . 8 1 1 A 10 10 GLU N N 10 120.269 122.619 -2.350 1
1 22 . 8 1 1 A 10 10 GLU H H 10 8.223 9.170 -0.947 1
1 23 . 8 1 1 A 10 10 GLU CA C 10 56.774 54.197 2.577 1
1 24 . 8 1 1 A 10 10 GLU HA H 10 4.196 5.076 -0.880 1
1 25 . 8 1 1 A 10 10 GLU CB C 10 30.450 33.402 -2.952 1
1 31 . 8 1 1 A 10 10 GLU C C 10 176.312 175.283 1.029 1
1 32 . 8 1 1 A 11 11 LYS N N 11 121.676 120.319 1.357 1
1 33 . 8 1 1 A 11 11 LYS H H 11 8.287 8.586 -0.299 1
1 34 . 8 1 1 A 11 11 LYS CA C 11 53.916 54.261 -0.345 1
1 35 . 8 1 1 A 11 11 LYS HA H 11 4.497 4.536 -0.039 1
1 36 . 8 1 1 A 11 11 LYS CB C 11 32.952 31.933 1.019 1
1 48 . 8 1 1 A 11 11 LYS C C 11 174.005 176.620 -2.615 1
1 49 . 8 1 1 A 12 12 PRO CA C 12 63.420 64.258 -0.838 1
1 50 . 8 1 1 A 12 12 PRO HA H 12 4.272 4.247 0.025 1
1 51 . 8 1 1 A 12 12 PRO CB C 12 32.270 31.590 0.680 1
1 60 . 8 1 1 A 12 12 PRO C C 12 176.312 176.035 0.277 1
1 61 . 8 1 1 A 13 13 PHE N N 13 118.211 117.629 0.582 1
1 62 . 8 1 1 A 13 13 PHE H H 13 8.097 7.578 0.519 1
1 63 . 8 1 1 A 13 13 PHE CA C 13 57.267 56.639 0.628 1
1 64 . 8 1 1 A 13 13 PHE HA H 13 4.640 5.230 -0.590 1
1 65 . 8 1 1 A 13 13 PHE CB C 13 39.302 41.242 -1.940 1
1 78 . 8 1 1 A 13 13 PHE C C 13 174.594 174.150 0.444 1
1 79 . 8 1 1 A 14 14 GLU N N 14 124.060 124.775 -0.715 1
1 80 . 8 1 1 A 14 14 GLU H H 14 8.568 9.215 -0.647 1
1 81 . 8 1 1 A 14 14 GLU CA C 14 55.291 54.576 0.715 1
1 82 . 8 1 1 A 14 14 GLU HA H 14 4.849 5.438 -0.589 1
1 83 . 8 1 1 A 14 14 GLU CB C 14 32.713 33.508 -0.795 1
1 89 . 8 1 1 A 14 14 GLU C C 14 175.419 175.284 0.135 1
1 90 . 8 1 1 A 15 15 CYS N N 15 126.818 125.670 1.148 1
1 91 . 8 1 1 A 15 15 CYS H H 15 9.101 9.010 0.091 1
1 92 . 8 1 1 A 15 15 CYS CA C 15 59.631 59.574 0.057 1
1 93 . 8 1 1 A 15 15 CYS HA H 15 4.558 4.717 -0.159 1
1 94 . 8 1 1 A 15 15 CYS CB C 15 29.865 29.017 0.848 1
1 97 . 8 1 1 A 15 15 CYS C C 15 176.885 175.027 1.858 1
1 98 . 8 1 1 A 16 16 SER N N 16 112.930 119.238 -6.308 1
1 99 . 8 1 1 A 16 16 SER H H 16 9.124 9.024 0.100 1
1 100 . 8 1 1 A 16 16 SER CA C 16 60.826 59.721 1.105 1
1 101 . 8 1 1 A 16 16 SER HA H 16 4.356 4.622 -0.266 1
1 102 . 8 1 1 A 16 16 SER CB C 16 63.144 64.423 -1.279 1
1 105 . 8 1 1 A 16 16 SER C C 16 174.769 175.165 -0.396 1
1 106 . 8 1 1 A 17 17 GLU N N 17 123.223 121.482 1.741 1
1 107 . 8 1 1 A 17 17 GLU H H 17 8.865 8.037 0.828 1
1 108 . 8 1 1 A 17 17 GLU CA C 17 57.918 58.781 -0.863 1
1 109 . 8 1 1 A 17 17 GLU HA H 17 4.287 4.172 0.115 1
1 110 . 8 1 1 A 17 17 GLU CB C 17 29.917 30.030 -0.113 1
1 116 . 8 1 1 A 17 17 GLU C C 17 176.999 178.462 -1.463 1
1 117 . 8 1 1 A 18 18 CYS N N 18 116.163 115.642 0.521 1
1 118 . 8 1 1 A 18 18 CYS H H 18 7.875 7.690 0.185 1
1 119 . 8 1 1 A 18 18 CYS CA C 18 58.661 59.336 -0.675 1
1 120 . 8 1 1 A 18 18 CYS HA H 18 5.031 4.404 0.627 1
1 121 . 8 1 1 A 18 18 CYS CB C 18 31.745 28.796 2.949 1
1 124 . 8 1 1 A 18 18 CYS C C 18 174.845 174.794 0.051 1
1 125 . 8 1 1 A 19 19 GLN N N 19 116.345 116.152 0.193 1
1 126 . 8 1 1 A 19 19 GLN H H 19 8.133 7.924 0.209 1
1 127 . 8 1 1 A 19 19 GLN CA C 19 58.722 57.111 1.611 1
1 128 . 8 1 1 A 19 19 GLN HA H 19 4.117 4.277 -0.160 1
1 129 . 8 1 1 A 19 19 GLN CB C 19 26.290 26.179 0.111 1
1 138 . 8 1 1 A 19 19 GLN C C 19 174.950 174.740 0.210 1
1 139 . 8 1 1 A 20 20 LYS N N 20 121.633 120.038 1.595 1
1 140 . 8 1 1 A 20 20 LYS H H 20 7.934 7.547 0.387 1
1 141 . 8 1 1 A 20 20 LYS CA C 20 57.862 56.095 1.767 1
1 142 . 8 1 1 A 20 20 LYS HA H 20 4.083 4.191 -0.108 1
1 143 . 8 1 1 A 20 20 LYS CB C 20 34.143 33.637 0.506 1
1 155 . 8 1 1 A 20 20 LYS C C 20 173.968 175.205 -1.237 1
1 156 . 8 1 1 A 21 21 ALA N N 21 123.578 125.550 -1.972 1
1 157 . 8 1 1 A 21 21 ALA H H 21 7.807 8.388 -0.581 1
1 158 . 8 1 1 A 21 21 ALA CA C 21 50.538 50.072 0.466 1
1 159 . 8 1 1 A 21 21 ALA HA H 21 5.067 5.500 -0.433 1
1 160 . 8 1 1 A 21 21 ALA CB C 21 22.260 21.330 0.930 1
1 164 . 8 1 1 A 21 21 ALA C C 21 176.143 176.288 -0.145 1
1 165 . 8 1 1 A 22 22 PHE N N 22 116.532 119.128 -2.596 1
1 166 . 8 1 1 A 22 22 PHE H H 22 8.637 8.697 -0.060 1
1 167 . 8 1 1 A 22 22 PHE CA C 22 57.465 56.498 0.967 1
1 168 . 8 1 1 A 22 22 PHE HA H 22 4.665 4.990 -0.325 1
1 169 . 8 1 1 A 22 22 PHE CB C 22 43.945 44.061 -0.116 1
1 182 . 8 1 1 A 22 22 PHE C C 22 175.082 175.583 -0.501 1
1 183 . 8 1 1 A 23 23 ASN CA C 23 55.192 54.871 0.321 1
1 184 . 8 1 1 A 23 23 ASN HA H 23 4.880 4.897 -0.017 1
1 185 . 8 1 1 A 23 23 ASN CB C 23 39.136 39.227 -0.091 1
1 191 . 8 1 1 A 23 23 ASN C C 23 175.375 175.630 -0.255 1
1 192 . 8 1 1 A 24 24 THR N N 24 120.293 110.284 10.009 1
1 193 . 8 1 1 A 24 24 THR H H 24 7.421 7.826 -0.405 1
1 194 . 8 1 1 A 24 24 THR CA C 24 58.831 58.873 -0.042 1
1 195 . 8 1 1 A 24 24 THR HA H 24 4.637 4.650 -0.013 1
1 196 . 8 1 1 A 24 24 THR CB C 24 72.609 71.487 1.122 1
1 202 . 8 1 1 A 24 24 THR C C 24 173.507 174.615 -1.108 1
1 203 . 8 1 1 A 25 25 LYS N N 25 124.488 122.492 1.996 1
1 204 . 8 1 1 A 25 25 LYS H H 25 8.175 8.239 -0.064 1
1 205 . 8 1 1 A 25 25 LYS CA C 25 58.622 59.455 -0.833 1
1 206 . 8 1 1 A 25 25 LYS HA H 25 3.105 3.226 -0.121 1
1 207 . 8 1 1 A 25 25 LYS CB C 25 31.613 31.843 -0.230 1
1 219 . 8 1 1 A 25 25 LYS C C 25 178.363 177.773 0.590 1
1 220 . 8 1 1 A 26 26 SER N N 26 112.511 114.515 -2.004 1
1 221 . 8 1 1 A 26 26 SER H H 26 8.248 8.179 0.069 1
1 222 . 8 1 1 A 26 26 SER CA C 26 61.540 61.403 0.137 1
1 223 . 8 1 1 A 26 26 SER HA H 26 3.962 4.110 -0.148 1
1 224 . 8 1 1 A 26 26 SER CB C 26 62.203 62.661 -0.458 1
1 227 . 8 1 1 A 26 26 SER C C 26 176.506 177.019 -0.513 1
1 228 . 8 1 1 A 27 27 ASN N N 27 118.519 120.619 -2.100 1
1 229 . 8 1 1 A 27 27 ASN H H 27 7.575 7.823 -0.248 1
1 230 . 8 1 1 A 27 27 ASN CA C 27 55.248 56.201 -0.953 1
1 231 . 8 1 1 A 27 27 ASN HA H 27 4.432 4.449 -0.017 1
1 232 . 8 1 1 A 27 27 ASN CB C 27 37.796 37.960 -0.164 1
1 238 . 8 1 1 A 27 27 ASN C C 27 177.845 177.742 0.103 1
1 239 . 8 1 1 A 28 28 LEU N N 28 123.404 120.702 2.702 1
1 240 . 8 1 1 A 28 28 LEU H H 28 7.347 7.644 -0.297 1
1 241 . 8 1 1 A 28 28 LEU CA C 28 58.281 57.871 0.410 1
1 242 . 8 1 1 A 28 28 LEU HA H 28 3.278 2.944 0.334 1
1 243 . 8 1 1 A 28 28 LEU CB C 28 40.486 41.539 -1.053 1
1 256 . 8 1 1 A 28 28 LEU C C 28 177.276 178.612 -1.336 1
1 257 . 8 1 1 A 29 29 ILE N N 29 120.611 120.257 0.354 1
1 258 . 8 1 1 A 29 29 ILE H H 29 8.285 8.202 0.083 1
1 259 . 8 1 1 A 29 29 ILE CA C 29 65.036 65.346 -0.310 1
1 260 . 8 1 1 A 29 29 ILE HA H 29 3.727 3.570 0.157 1
1 261 . 8 1 1 A 29 29 ILE CB C 29 37.616 37.891 -0.275 1
1 274 . 8 1 1 A 29 29 ILE C C 29 179.149 177.891 1.258 1
1 275 . 8 1 1 A 30 30 VAL N N 30 119.090 119.990 -0.900 1
1 276 . 8 1 1 A 30 30 VAL H H 30 7.578 7.811 -0.233 1
1 277 . 8 1 1 A 30 30 VAL CA C 30 66.753 66.298 0.455 1
1 278 . 8 1 1 A 30 30 VAL HA H 30 3.469 3.511 -0.042 1
1 279 . 8 1 1 A 30 30 VAL CB C 30 31.959 31.425 0.534 1
1 289 . 8 1 1 A 30 30 VAL C C 30 179.079 178.275 0.804 1
1 290 . 8 1 1 A 31 31 HIS N N 31 119.088 120.066 -0.978 1
1 291 . 8 1 1 A 31 31 HIS H H 31 7.441 7.892 -0.451 1
1 292 . 8 1 1 A 31 31 HIS CA C 31 59.210 59.392 -0.182 1
1 293 . 8 1 1 A 31 31 HIS HA H 31 4.197 4.161 0.036 1
1 294 . 8 1 1 A 31 31 HIS CB C 31 28.110 29.807 -1.697 1
1 301 . 8 1 1 A 31 31 HIS C C 31 178.149 177.166 0.983 1
1 302 . 8 1 1 A 32 32 GLN N N 32 120.672 117.317 3.355 1
1 303 . 8 1 1 A 32 32 GLN H H 32 8.973 8.442 0.531 1
1 304 . 8 1 1 A 32 32 GLN CA C 32 59.954 59.245 0.709 1
1 305 . 8 1 1 A 32 32 GLN HA H 32 3.620 3.708 -0.088 1
1 306 . 8 1 1 A 32 32 GLN CB C 32 28.132 28.163 -0.031 1
1 315 . 8 1 1 A 32 32 GLN C C 32 177.938 178.412 -0.474 1
1 316 . 8 1 1 A 33 33 ARG N N 33 117.768 119.745 -1.977 1
1 317 . 8 1 1 A 33 33 ARG H H 33 7.323 7.471 -0.148 1
1 318 . 8 1 1 A 33 33 ARG CA C 33 58.576 59.264 -0.688 1
1 319 . 8 1 1 A 33 33 ARG HA H 33 4.171 3.916 0.255 1
1 320 . 8 1 1 A 33 33 ARG CB C 33 30.016 29.858 0.158 1
1 329 . 8 1 1 A 33 33 ARG C C 33 178.202 178.677 -0.475 1
1 330 . 8 1 1 A 34 34 THR N N 34 109.590 112.474 -2.884 1
1 331 . 8 1 1 A 34 34 THR H H 34 7.812 8.220 -0.408 1
1 332 . 8 1 1 A 34 34 THR CA C 34 63.867 65.499 -1.632 1
1 333 . 8 1 1 A 34 34 THR HA H 34 4.113 4.023 0.090 1
1 334 . 8 1 1 A 34 34 THR CB C 34 69.435 68.097 1.338 1
1 340 . 8 1 1 A 34 34 THR C C 34 175.584 175.481 0.103 1
1 341 . 8 1 1 A 35 35 HIS N N 35 118.698 119.675 -0.977 1
1 342 . 8 1 1 A 35 35 HIS H H 35 7.187 7.437 -0.250 1
1 343 . 8 1 1 A 35 35 HIS CA C 35 55.498 54.143 1.355 1
1 344 . 8 1 1 A 35 35 HIS HA H 35 4.864 4.687 0.177 1
1 345 . 8 1 1 A 35 35 HIS CB C 35 28.676 27.373 1.303 1
1 352 . 8 1 1 A 35 35 HIS C C 35 175.584 175.129 0.455 1
1 353 . 8 1 1 A 36 36 THR N N 36 112.399 118.850 -6.451 1
1 354 . 8 1 1 A 36 36 THR H H 36 7.811 7.749 0.062 1
1 355 . 8 1 1 A 36 36 THR CA C 36 62.362 62.385 -0.023 1
1 356 . 8 1 1 A 36 36 THR HA H 36 4.358 4.081 0.277 1
1 357 . 8 1 1 A 36 36 THR CB C 36 69.845 69.389 0.456 1
1 363 . 8 1 1 A 36 36 THR C C 36 175.377 174.875 0.502 1
1 364 . 8 1 1 A 37 37 GLY N N 37 111.020 113.823 -2.803 1
1 365 . 8 1 1 A 37 37 GLY H H 37 8.446 8.651 -0.205 1
1 366 . 8 1 1 A 37 37 GLY CA C 37 45.083 46.832 -1.749 1
1 367 . 8 1 1 A 37 37 GLY HA2 H 37 3.985 3.978 0.007 1
1 368 . 8 1 1 A 37 37 GLY HA3 H 37 3.985 3.983 0.002 1
1 369 . 8 1 1 A 37 37 GLY C C 37 174.005 174.829 -0.824 1
1 370 . 8 1 1 A 38 38 GLU N N 38 120.659 119.645 1.014 1
1 371 . 8 1 1 A 38 38 GLU H H 38 8.132 7.962 0.170 1
1 372 . 8 1 1 A 38 38 GLU CA C 38 56.441 55.767 0.674 1
1 373 . 8 1 1 A 38 38 GLU HA H 38 4.240 4.498 -0.258 1
1 374 . 8 1 1 A 38 38 GLU CB C 38 30.497 29.354 1.143 1
1 380 . 8 1 1 A 38 38 GLU C C 38 176.239 175.194 1.045 1
1 381 . 8 1 1 A 39 39 LYS N N 39 123.933 122.415 1.518 1
1 382 . 8 1 1 A 39 39 LYS H H 39 8.428 7.795 0.633 1
1 383 . 8 1 1 A 39 39 LYS CA C 39 54.087 53.076 1.011 1
1 384 . 8 1 1 A 39 39 LYS HA H 39 4.601 4.954 -0.353 1
1 385 . 8 1 1 A 39 39 LYS CB C 39 32.513 33.522 -1.009 1
1 397 . 8 1 1 A 39 39 LYS C C 39 174.467 174.304 0.163 1
1 398 . 8 1 1 A 40 40 PRO CA C 40 63.220 62.548 0.672 1
1 399 . 8 1 1 A 40 40 PRO HA H 40 4.446 4.721 -0.275 1
1 400 . 8 1 1 A 40 40 PRO CB C 40 32.146 29.605 2.541 1
1 409 . 8 1 1 A 40 40 PRO C C 40 176.972 175.105 1.867 1
1 410 . 8 1 1 A 41 41 SER N N 41 116.493 119.015 -2.522 1
1 411 . 8 1 1 A 41 41 SER H H 41 8.462 8.395 0.067 1
1 412 . 8 1 1 A 41 41 SER CA C 41 58.320 56.417 1.903 1
1 413 . 8 1 1 A 41 41 SER HA H 41 4.470 4.968 -0.498 1
1 414 . 8 1 1 A 41 41 SER CB C 41 64.163 66.044 -1.881 1
1 417 . 8 1 1 A 41 41 SER C C 41 174.635 173.708 0.927 1
1 418 . 8 1 1 A 42 42 GLY CA C 42 44.675 46.275 -1.600 1
1 419 . 8 1 1 A 42 42 GLY HA2 H 42 4.151 3.863 0.288 1
1 420 . 8 1 1 A 42 42 GLY HA3 H 42 4.095 3.863 0.232 1
1 421 . 8 1 1 A 43 43 PRO CA C 43 63.213 62.666 0.547 1
1 422 . 8 1 1 A 43 43 PRO HA H 43 4.476 4.616 -0.140 1
1 423 . 8 1 1 A 43 43 PRO CB C 43 32.217 32.668 -0.451 1
1 432 . 8 1 1 A 45 45 SER CA C 45 58.359 60.802 -2.443 1
1 433 . 8 1 1 A 45 45 SER HA H 45 4.496 4.030 0.466 1
1 434 . 8 1 1 A 45 45 SER CB C 45 64.036 63.796 0.240 1
1 437 . 8 1 1 A 45 45 SER C C 45 173.895 174.875 -0.980 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.428 45.839 -0.411 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.049 4.170 -0.121 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.049 4.172 -0.123 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.518 174.718 -0.200 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.808 113.206 -0.398 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.145 8.081 0.064 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.842 64.752 -2.910 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.361 4.212 0.149 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.802 68.557 1.245 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.285 174.442 0.843 1
1 16 . 9 1 1 A 9 9 GLY N N 9 110.918 109.807 1.111 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.318 7.792 0.526 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.316 44.291 1.025 1
1 19 . 9 1 1 A 9 9 GLY HA2 H 9 3.961 4.163 -0.202 1
1 20 . 9 1 1 A 9 9 GLY HA3 H 9 3.961 4.164 -0.203 1
1 21 . 9 1 1 A 10 10 GLU N N 10 120.269 120.391 -0.122 1
1 22 . 9 1 1 A 10 10 GLU H H 10 8.223 8.590 -0.367 1
1 23 . 9 1 1 A 10 10 GLU CA C 10 56.774 54.855 1.919 1
1 24 . 9 1 1 A 10 10 GLU HA H 10 4.196 5.131 -0.935 1
1 25 . 9 1 1 A 10 10 GLU CB C 10 30.450 33.589 -3.139 1
1 31 . 9 1 1 A 10 10 GLU C C 10 176.312 174.880 1.432 1
1 32 . 9 1 1 A 11 11 LYS N N 11 121.676 126.286 -4.610 1
1 33 . 9 1 1 A 11 11 LYS H H 11 8.287 8.890 -0.603 1
1 34 . 9 1 1 A 11 11 LYS CA C 11 53.916 53.218 0.698 1
1 35 . 9 1 1 A 11 11 LYS HA H 11 4.497 4.731 -0.234 1
1 36 . 9 1 1 A 11 11 LYS CB C 11 32.952 32.478 0.474 1
1 48 . 9 1 1 A 11 11 LYS C C 11 174.005 176.338 -2.333 1
1 49 . 9 1 1 A 12 12 PRO CA C 12 63.420 64.608 -1.188 1
1 50 . 9 1 1 A 12 12 PRO HA H 12 4.272 4.285 -0.013 1
1 51 . 9 1 1 A 12 12 PRO CB C 12 32.270 31.844 0.426 1
1 60 . 9 1 1 A 12 12 PRO C C 12 176.312 176.200 0.112 1
1 61 . 9 1 1 A 13 13 PHE N N 13 118.211 118.007 0.204 1
1 62 . 9 1 1 A 13 13 PHE H H 13 8.097 7.856 0.241 1
1 63 . 9 1 1 A 13 13 PHE CA C 13 57.267 56.997 0.270 1
1 64 . 9 1 1 A 13 13 PHE HA H 13 4.640 5.040 -0.400 1
1 65 . 9 1 1 A 13 13 PHE CB C 13 39.302 40.804 -1.502 1
1 78 . 9 1 1 A 13 13 PHE C C 13 174.594 174.368 0.226 1
1 79 . 9 1 1 A 14 14 GLU N N 14 124.060 123.532 0.528 1
1 80 . 9 1 1 A 14 14 GLU H H 14 8.568 9.026 -0.458 1
1 81 . 9 1 1 A 14 14 GLU CA C 14 55.291 55.070 0.221 1
1 82 . 9 1 1 A 14 14 GLU HA H 14 4.849 5.551 -0.702 1
1 83 . 9 1 1 A 14 14 GLU CB C 14 32.713 33.592 -0.879 1
1 89 . 9 1 1 A 14 14 GLU C C 14 175.419 174.899 0.520 1
1 90 . 9 1 1 A 15 15 CYS N N 15 126.818 125.587 1.231 1
1 91 . 9 1 1 A 15 15 CYS H H 15 9.101 9.111 -0.010 1
1 92 . 9 1 1 A 15 15 CYS CA C 15 59.631 59.374 0.257 1
1 93 . 9 1 1 A 15 15 CYS HA H 15 4.558 4.714 -0.156 1
1 94 . 9 1 1 A 15 15 CYS CB C 15 29.865 28.952 0.913 1
1 97 . 9 1 1 A 15 15 CYS C C 15 176.885 175.061 1.824 1
1 98 . 9 1 1 A 16 16 SER N N 16 112.930 119.892 -6.962 1
1 99 . 9 1 1 A 16 16 SER H H 16 9.124 8.981 0.143 1
1 100 . 9 1 1 A 16 16 SER CA C 16 60.826 59.503 1.323 1
1 101 . 9 1 1 A 16 16 SER HA H 16 4.356 4.727 -0.371 1
1 102 . 9 1 1 A 16 16 SER CB C 16 63.144 64.035 -0.891 1
1 105 . 9 1 1 A 16 16 SER C C 16 174.769 176.091 -1.322 1
1 106 . 9 1 1 A 17 17 GLU N N 17 123.223 120.280 2.943 1
1 107 . 9 1 1 A 17 17 GLU H H 17 8.865 7.809 1.056 1
1 108 . 9 1 1 A 17 17 GLU CA C 17 57.918 58.599 -0.681 1
1 109 . 9 1 1 A 17 17 GLU HA H 17 4.287 4.190 0.097 1
1 110 . 9 1 1 A 17 17 GLU CB C 17 29.917 29.812 0.105 1
1 116 . 9 1 1 A 17 17 GLU C C 17 176.999 178.660 -1.661 1
1 117 . 9 1 1 A 18 18 CYS N N 18 116.163 116.293 -0.130 1
1 118 . 9 1 1 A 18 18 CYS H H 18 7.875 7.785 0.090 1
1 119 . 9 1 1 A 18 18 CYS CA C 18 58.661 59.407 -0.746 1
1 120 . 9 1 1 A 18 18 CYS HA H 18 5.031 4.499 0.532 1
1 121 . 9 1 1 A 18 18 CYS CB C 18 31.745 28.699 3.046 1
1 124 . 9 1 1 A 18 18 CYS C C 18 174.845 174.710 0.135 1
1 125 . 9 1 1 A 19 19 GLN N N 19 116.345 116.508 -0.163 1
1 126 . 9 1 1 A 19 19 GLN H H 19 8.133 7.940 0.193 1
1 127 . 9 1 1 A 19 19 GLN CA C 19 58.722 56.996 1.726 1
1 128 . 9 1 1 A 19 19 GLN HA H 19 4.117 4.278 -0.161 1
1 129 . 9 1 1 A 19 19 GLN CB C 19 26.290 26.317 -0.027 1
1 138 . 9 1 1 A 19 19 GLN C C 19 174.950 174.504 0.446 1
1 139 . 9 1 1 A 20 20 LYS N N 20 121.633 119.441 2.192 1
1 140 . 9 1 1 A 20 20 LYS H H 20 7.934 7.928 0.006 1
1 141 . 9 1 1 A 20 20 LYS CA C 20 57.862 56.279 1.583 1
1 142 . 9 1 1 A 20 20 LYS HA H 20 4.083 4.310 -0.227 1
1 143 . 9 1 1 A 20 20 LYS CB C 20 34.143 33.796 0.347 1
1 155 . 9 1 1 A 20 20 LYS C C 20 173.968 175.578 -1.610 1
1 156 . 9 1 1 A 21 21 ALA N N 21 123.578 126.435 -2.857 1
1 157 . 9 1 1 A 21 21 ALA H H 21 7.807 8.426 -0.619 1
1 158 . 9 1 1 A 21 21 ALA CA C 21 50.538 51.092 -0.554 1
1 159 . 9 1 1 A 21 21 ALA HA H 21 5.067 5.225 -0.158 1
1 160 . 9 1 1 A 21 21 ALA CB C 21 22.260 20.667 1.593 1
1 164 . 9 1 1 A 21 21 ALA C C 21 176.143 176.668 -0.525 1
1 165 . 9 1 1 A 22 22 PHE N N 22 116.532 118.583 -2.051 1
1 166 . 9 1 1 A 22 22 PHE H H 22 8.637 8.809 -0.172 1
1 167 . 9 1 1 A 22 22 PHE CA C 22 57.465 56.499 0.966 1
1 168 . 9 1 1 A 22 22 PHE HA H 22 4.665 4.958 -0.293 1
1 169 . 9 1 1 A 22 22 PHE CB C 22 43.945 43.895 0.050 1
1 182 . 9 1 1 A 22 22 PHE C C 22 175.082 175.482 -0.400 1
1 183 . 9 1 1 A 23 23 ASN CA C 23 55.192 54.855 0.337 1
1 184 . 9 1 1 A 23 23 ASN HA H 23 4.880 4.927 -0.047 1
1 185 . 9 1 1 A 23 23 ASN CB C 23 39.136 39.576 -0.440 1
1 191 . 9 1 1 A 23 23 ASN C C 23 175.375 175.471 -0.096 1
1 192 . 9 1 1 A 24 24 THR N N 24 120.293 108.650 11.643 1
1 193 . 9 1 1 A 24 24 THR H H 24 7.421 7.810 -0.389 1
1 194 . 9 1 1 A 24 24 THR CA C 24 58.831 59.059 -0.228 1
1 195 . 9 1 1 A 24 24 THR HA H 24 4.637 4.492 0.145 1
1 196 . 9 1 1 A 24 24 THR CB C 24 72.609 71.235 1.374 1
1 202 . 9 1 1 A 24 24 THR C C 24 173.507 174.623 -1.116 1
1 203 . 9 1 1 A 25 25 LYS N N 25 124.488 122.709 1.779 1
1 204 . 9 1 1 A 25 25 LYS H H 25 8.175 8.302 -0.127 1
1 205 . 9 1 1 A 25 25 LYS CA C 25 58.622 59.684 -1.062 1
1 206 . 9 1 1 A 25 25 LYS HA H 25 3.105 3.000 0.105 1
1 207 . 9 1 1 A 25 25 LYS CB C 25 31.613 31.980 -0.367 1
1 219 . 9 1 1 A 25 25 LYS C C 25 178.363 177.761 0.602 1
1 220 . 9 1 1 A 26 26 SER N N 26 112.511 114.669 -2.158 1
1 221 . 9 1 1 A 26 26 SER H H 26 8.248 8.237 0.011 1
1 222 . 9 1 1 A 26 26 SER CA C 26 61.540 61.170 0.370 1
1 223 . 9 1 1 A 26 26 SER HA H 26 3.962 4.105 -0.143 1
1 224 . 9 1 1 A 26 26 SER CB C 26 62.203 62.587 -0.384 1
1 227 . 9 1 1 A 26 26 SER C C 26 176.506 176.736 -0.230 1
1 228 . 9 1 1 A 27 27 ASN N N 27 118.519 120.409 -1.890 1
1 229 . 9 1 1 A 27 27 ASN H H 27 7.575 8.141 -0.566 1
1 230 . 9 1 1 A 27 27 ASN CA C 27 55.248 56.365 -1.117 1
1 231 . 9 1 1 A 27 27 ASN HA H 27 4.432 4.310 0.122 1
1 232 . 9 1 1 A 27 27 ASN CB C 27 37.796 37.960 -0.164 1
1 238 . 9 1 1 A 27 27 ASN C C 27 177.845 177.761 0.084 1
1 239 . 9 1 1 A 28 28 LEU N N 28 123.404 120.764 2.640 1
1 240 . 9 1 1 A 28 28 LEU H H 28 7.347 7.508 -0.161 1
1 241 . 9 1 1 A 28 28 LEU CA C 28 58.281 57.954 0.327 1
1 242 . 9 1 1 A 28 28 LEU HA H 28 3.278 2.526 0.752 1
1 243 . 9 1 1 A 28 28 LEU CB C 28 40.486 41.203 -0.717 1
1 256 . 9 1 1 A 28 28 LEU C C 28 177.276 178.336 -1.060 1
1 257 . 9 1 1 A 29 29 ILE N N 29 120.611 120.019 0.592 1
1 258 . 9 1 1 A 29 29 ILE H H 29 8.285 8.214 0.071 1
1 259 . 9 1 1 A 29 29 ILE CA C 29 65.036 65.418 -0.382 1
1 260 . 9 1 1 A 29 29 ILE HA H 29 3.727 3.543 0.184 1
1 261 . 9 1 1 A 29 29 ILE CB C 29 37.616 37.569 0.047 1
1 274 . 9 1 1 A 29 29 ILE C C 29 179.149 177.980 1.169 1
1 275 . 9 1 1 A 30 30 VAL N N 30 119.090 120.178 -1.088 1
1 276 . 9 1 1 A 30 30 VAL H H 30 7.578 7.951 -0.373 1
1 277 . 9 1 1 A 30 30 VAL CA C 30 66.753 66.279 0.474 1
1 278 . 9 1 1 A 30 30 VAL HA H 30 3.469 3.681 -0.212 1
1 279 . 9 1 1 A 30 30 VAL CB C 30 31.959 31.559 0.400 1
1 289 . 9 1 1 A 30 30 VAL C C 30 179.079 178.449 0.630 1
1 290 . 9 1 1 A 31 31 HIS N N 31 119.088 119.398 -0.310 1
1 291 . 9 1 1 A 31 31 HIS H H 31 7.441 8.048 -0.607 1
1 292 . 9 1 1 A 31 31 HIS CA C 31 59.210 59.575 -0.365 1
1 293 . 9 1 1 A 31 31 HIS HA H 31 4.197 4.193 0.004 1
1 294 . 9 1 1 A 31 31 HIS CB C 31 28.110 29.898 -1.788 1
1 301 . 9 1 1 A 31 31 HIS C C 31 178.149 176.789 1.360 1
1 302 . 9 1 1 A 32 32 GLN N N 32 120.672 117.341 3.331 1
1 303 . 9 1 1 A 32 32 GLN H H 32 8.973 8.624 0.349 1
1 304 . 9 1 1 A 32 32 GLN CA C 32 59.954 59.335 0.619 1
1 305 . 9 1 1 A 32 32 GLN HA H 32 3.620 3.889 -0.269 1
1 306 . 9 1 1 A 32 32 GLN CB C 32 28.132 28.296 -0.164 1
1 315 . 9 1 1 A 32 32 GLN C C 32 177.938 178.520 -0.582 1
1 316 . 9 1 1 A 33 33 ARG N N 33 117.768 119.687 -1.919 1
1 317 . 9 1 1 A 33 33 ARG H H 33 7.323 7.860 -0.537 1
1 318 . 9 1 1 A 33 33 ARG CA C 33 58.576 59.367 -0.791 1
1 319 . 9 1 1 A 33 33 ARG HA H 33 4.171 4.015 0.156 1
1 320 . 9 1 1 A 33 33 ARG CB C 33 30.016 29.799 0.217 1
1 329 . 9 1 1 A 33 33 ARG C C 33 178.202 179.157 -0.955 1
1 330 . 9 1 1 A 34 34 THR N N 34 109.590 114.295 -4.705 1
1 331 . 9 1 1 A 34 34 THR H H 34 7.812 8.217 -0.405 1
1 332 . 9 1 1 A 34 34 THR CA C 34 63.867 64.559 -0.692 1
1 333 . 9 1 1 A 34 34 THR HA H 34 4.113 3.877 0.236 1
1 334 . 9 1 1 A 34 34 THR CB C 34 69.435 68.875 0.560 1
1 340 . 9 1 1 A 34 34 THR C C 34 175.584 176.214 -0.630 1
1 341 . 9 1 1 A 35 35 HIS N N 35 118.698 116.112 2.586 1
1 342 . 9 1 1 A 35 35 HIS H H 35 7.187 7.754 -0.567 1
1 343 . 9 1 1 A 35 35 HIS CA C 35 55.498 58.841 -3.343 1
1 344 . 9 1 1 A 35 35 HIS HA H 35 4.864 4.330 0.534 1
1 345 . 9 1 1 A 35 35 HIS CB C 35 28.676 30.665 -1.989 1
1 352 . 9 1 1 A 35 35 HIS C C 35 175.584 175.644 -0.060 1
1 353 . 9 1 1 A 36 36 THR N N 36 112.399 111.586 0.813 1
1 354 . 9 1 1 A 36 36 THR H H 36 7.811 7.170 0.641 1
1 355 . 9 1 1 A 36 36 THR CA C 36 62.362 61.918 0.444 1
1 356 . 9 1 1 A 36 36 THR HA H 36 4.358 4.267 0.091 1
1 357 . 9 1 1 A 36 36 THR CB C 36 69.845 69.529 0.316 1
1 363 . 9 1 1 A 36 36 THR C C 36 175.377 174.985 0.392 1
1 364 . 9 1 1 A 37 37 GLY N N 37 111.020 110.790 0.230 1
1 365 . 9 1 1 A 37 37 GLY H H 37 8.446 8.544 -0.098 1
1 366 . 9 1 1 A 37 37 GLY CA C 37 45.083 44.150 0.933 1
1 367 . 9 1 1 A 37 37 GLY HA2 H 37 3.985 4.252 -0.267 1
1 368 . 9 1 1 A 37 37 GLY HA3 H 37 3.985 4.258 -0.273 1
1 369 . 9 1 1 A 37 37 GLY C C 37 174.005 172.432 1.573 1
1 370 . 9 1 1 A 38 38 GLU N N 38 120.659 119.668 0.991 1
1 371 . 9 1 1 A 38 38 GLU H H 38 8.132 8.780 -0.648 1
1 372 . 9 1 1 A 38 38 GLU CA C 38 56.441 54.669 1.772 1
1 373 . 9 1 1 A 38 38 GLU HA H 38 4.240 4.837 -0.597 1
1 374 . 9 1 1 A 38 38 GLU CB C 38 30.497 33.496 -2.999 1
1 380 . 9 1 1 A 38 38 GLU C C 38 176.239 176.301 -0.062 1
1 381 . 9 1 1 A 39 39 LYS N N 39 123.933 124.324 -0.391 1
1 382 . 9 1 1 A 39 39 LYS H H 39 8.428 8.696 -0.268 1
1 383 . 9 1 1 A 39 39 LYS CA C 39 54.087 57.117 -3.030 1
1 384 . 9 1 1 A 39 39 LYS HA H 39 4.601 3.981 0.620 1
1 385 . 9 1 1 A 39 39 LYS CB C 39 32.513 30.202 2.311 1
1 397 . 9 1 1 A 39 39 LYS C C 39 174.467 176.152 -1.685 1
1 398 . 9 1 1 A 40 40 PRO CA C 40 63.220 62.267 0.953 1
1 399 . 9 1 1 A 40 40 PRO HA H 40 4.446 4.518 -0.072 1
1 400 . 9 1 1 A 40 40 PRO CB C 40 32.146 32.539 -0.393 1
1 409 . 9 1 1 A 40 40 PRO C C 40 176.972 176.553 0.419 1
1 410 . 9 1 1 A 41 41 SER N N 41 116.493 118.182 -1.689 1
1 411 . 9 1 1 A 41 41 SER H H 41 8.462 8.411 0.051 1
1 412 . 9 1 1 A 41 41 SER CA C 41 58.320 59.503 -1.183 1
1 413 . 9 1 1 A 41 41 SER HA H 41 4.470 4.242 0.228 1
1 414 . 9 1 1 A 41 41 SER CB C 41 64.163 63.282 0.881 1
1 417 . 9 1 1 A 41 41 SER C C 41 174.635 174.072 0.563 1
1 418 . 9 1 1 A 42 42 GLY CA C 42 44.675 44.470 0.205 1
1 419 . 9 1 1 A 42 42 GLY HA2 H 42 4.151 4.361 -0.210 1
1 420 . 9 1 1 A 42 42 GLY HA3 H 42 4.095 4.361 -0.266 1
1 421 . 9 1 1 A 43 43 PRO CA C 43 63.213 62.481 0.732 1
1 422 . 9 1 1 A 43 43 PRO HA H 43 4.476 4.602 -0.126 1
1 423 . 9 1 1 A 43 43 PRO CB C 43 32.217 31.476 0.741 1
1 432 . 9 1 1 A 45 45 SER CA C 45 58.359 62.485 -4.126 1
1 433 . 9 1 1 A 45 45 SER HA H 45 4.496 4.424 0.072 1
1 434 . 9 1 1 A 45 45 SER CB C 45 64.036 63.139 0.897 1
1 437 . 9 1 1 A 45 45 SER C C 45 173.895 176.764 -2.869 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.428 44.780 0.648 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.049 4.089 -0.040 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.049 4.090 -0.041 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.518 174.209 0.309 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.808 114.843 -2.035 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.145 8.387 -0.242 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.842 63.464 -1.622 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.361 4.171 0.190 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.802 69.716 0.086 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.285 175.591 -0.306 1
1 16 . 10 1 1 A 9 9 GLY N N 9 110.918 110.685 0.233 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.318 8.062 0.256 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.316 46.238 -0.922 1
1 19 . 10 1 1 A 9 9 GLY HA2 H 9 3.961 4.003 -0.042 1
1 20 . 10 1 1 A 9 9 GLY HA3 H 9 3.961 4.003 -0.042 1
1 21 . 10 1 1 A 10 10 GLU N N 10 120.269 119.882 0.387 1
1 22 . 10 1 1 A 10 10 GLU H H 10 8.223 8.122 0.101 1
1 23 . 10 1 1 A 10 10 GLU CA C 10 56.774 55.537 1.237 1
1 24 . 10 1 1 A 10 10 GLU HA H 10 4.196 4.485 -0.289 1
1 25 . 10 1 1 A 10 10 GLU CB C 10 30.450 28.779 1.671 1
1 31 . 10 1 1 A 10 10 GLU C C 10 176.312 174.957 1.355 1
1 32 . 10 1 1 A 11 11 LYS N N 11 121.676 120.606 1.070 1
1 33 . 10 1 1 A 11 11 LYS H H 11 8.287 8.190 0.097 1
1 34 . 10 1 1 A 11 11 LYS CA C 11 53.916 54.460 -0.544 1
1 35 . 10 1 1 A 11 11 LYS HA H 11 4.497 4.829 -0.332 1
1 36 . 10 1 1 A 11 11 LYS CB C 11 32.952 35.470 -2.518 1
1 48 . 10 1 1 A 11 11 LYS C C 11 174.005 175.974 -1.969 1
1 49 . 10 1 1 A 12 12 PRO CA C 12 63.420 64.382 -0.962 1
1 50 . 10 1 1 A 12 12 PRO HA H 12 4.272 4.174 0.098 1
1 51 . 10 1 1 A 12 12 PRO CB C 12 32.270 31.908 0.362 1
1 60 . 10 1 1 A 12 12 PRO C C 12 176.312 175.901 0.411 1
1 61 . 10 1 1 A 13 13 PHE N N 13 118.211 117.768 0.443 1
1 62 . 10 1 1 A 13 13 PHE H H 13 8.097 7.553 0.544 1
1 63 . 10 1 1 A 13 13 PHE CA C 13 57.267 56.124 1.143 1
1 64 . 10 1 1 A 13 13 PHE HA H 13 4.640 5.288 -0.648 1
1 65 . 10 1 1 A 13 13 PHE CB C 13 39.302 43.559 -4.257 1
1 78 . 10 1 1 A 13 13 PHE C C 13 174.594 174.028 0.566 1
1 79 . 10 1 1 A 14 14 GLU N N 14 124.060 120.926 3.134 1
1 80 . 10 1 1 A 14 14 GLU H H 14 8.568 8.912 -0.344 1
1 81 . 10 1 1 A 14 14 GLU CA C 14 55.291 54.852 0.439 1
1 82 . 10 1 1 A 14 14 GLU HA H 14 4.849 5.384 -0.535 1
1 83 . 10 1 1 A 14 14 GLU CB C 14 32.713 33.817 -1.104 1
1 89 . 10 1 1 A 14 14 GLU C C 14 175.419 174.457 0.962 1
1 90 . 10 1 1 A 15 15 CYS N N 15 126.818 124.164 2.654 1
1 91 . 10 1 1 A 15 15 CYS H H 15 9.101 9.152 -0.051 1
1 92 . 10 1 1 A 15 15 CYS CA C 15 59.631 58.834 0.797 1
1 93 . 10 1 1 A 15 15 CYS HA H 15 4.558 4.738 -0.180 1
1 94 . 10 1 1 A 15 15 CYS CB C 15 29.865 28.985 0.880 1
1 97 . 10 1 1 A 15 15 CYS C C 15 176.885 174.557 2.328 1
1 98 . 10 1 1 A 16 16 SER N N 16 112.930 119.765 -6.835 1
1 99 . 10 1 1 A 16 16 SER H H 16 9.124 8.886 0.238 1
1 100 . 10 1 1 A 16 16 SER CA C 16 60.826 59.353 1.473 1
1 101 . 10 1 1 A 16 16 SER HA H 16 4.356 4.482 -0.126 1
1 102 . 10 1 1 A 16 16 SER CB C 16 63.144 64.662 -1.518 1
1 105 . 10 1 1 A 16 16 SER C C 16 174.769 176.400 -1.631 1
1 106 . 10 1 1 A 17 17 GLU N N 17 123.223 121.046 2.177 1
1 107 . 10 1 1 A 17 17 GLU H H 17 8.865 8.073 0.792 1
1 108 . 10 1 1 A 17 17 GLU CA C 17 57.918 58.669 -0.751 1
1 109 . 10 1 1 A 17 17 GLU HA H 17 4.287 4.099 0.188 1
1 110 . 10 1 1 A 17 17 GLU CB C 17 29.917 29.873 0.044 1
1 116 . 10 1 1 A 17 17 GLU C C 17 176.999 178.398 -1.399 1
1 117 . 10 1 1 A 18 18 CYS N N 18 116.163 115.068 1.095 1
1 118 . 10 1 1 A 18 18 CYS H H 18 7.875 7.640 0.235 1
1 119 . 10 1 1 A 18 18 CYS CA C 18 58.661 59.033 -0.372 1
1 120 . 10 1 1 A 18 18 CYS HA H 18 5.031 4.488 0.543 1
1 121 . 10 1 1 A 18 18 CYS CB C 18 31.745 28.303 3.442 1
1 124 . 10 1 1 A 18 18 CYS C C 18 174.845 174.338 0.507 1
1 125 . 10 1 1 A 19 19 GLN N N 19 116.345 116.803 -0.458 1
1 126 . 10 1 1 A 19 19 GLN H H 19 8.133 7.977 0.156 1
1 127 . 10 1 1 A 19 19 GLN CA C 19 58.722 56.938 1.784 1
1 128 . 10 1 1 A 19 19 GLN HA H 19 4.117 4.127 -0.010 1
1 129 . 10 1 1 A 19 19 GLN CB C 19 26.290 26.328 -0.038 1
1 138 . 10 1 1 A 19 19 GLN C C 19 174.950 174.599 0.351 1
1 139 . 10 1 1 A 20 20 LYS N N 20 121.633 119.532 2.101 1
1 140 . 10 1 1 A 20 20 LYS H H 20 7.934 8.008 -0.074 1
1 141 . 10 1 1 A 20 20 LYS CA C 20 57.862 56.157 1.705 1
1 142 . 10 1 1 A 20 20 LYS HA H 20 4.083 4.292 -0.209 1
1 143 . 10 1 1 A 20 20 LYS CB C 20 34.143 33.571 0.572 1
1 155 . 10 1 1 A 20 20 LYS C C 20 173.968 175.385 -1.417 1
1 156 . 10 1 1 A 21 21 ALA N N 21 123.578 126.409 -2.831 1
1 157 . 10 1 1 A 21 21 ALA H H 21 7.807 8.532 -0.725 1
1 158 . 10 1 1 A 21 21 ALA CA C 21 50.538 50.193 0.345 1
1 159 . 10 1 1 A 21 21 ALA HA H 21 5.067 5.361 -0.294 1
1 160 . 10 1 1 A 21 21 ALA CB C 21 22.260 21.157 1.103 1
1 164 . 10 1 1 A 21 21 ALA C C 21 176.143 176.513 -0.370 1
1 165 . 10 1 1 A 22 22 PHE N N 22 116.532 119.421 -2.889 1
1 166 . 10 1 1 A 22 22 PHE H H 22 8.637 8.563 0.074 1
1 167 . 10 1 1 A 22 22 PHE CA C 22 57.465 57.010 0.455 1
1 168 . 10 1 1 A 22 22 PHE HA H 22 4.665 5.013 -0.348 1
1 169 . 10 1 1 A 22 22 PHE CB C 22 43.945 43.476 0.469 1
1 182 . 10 1 1 A 22 22 PHE C C 22 175.082 175.922 -0.840 1
1 183 . 10 1 1 A 23 23 ASN CA C 23 55.192 54.733 0.459 1
1 184 . 10 1 1 A 23 23 ASN HA H 23 4.880 4.993 -0.113 1
1 185 . 10 1 1 A 23 23 ASN CB C 23 39.136 40.172 -1.036 1
1 191 . 10 1 1 A 23 23 ASN C C 23 175.375 175.438 -0.063 1
1 192 . 10 1 1 A 24 24 THR N N 24 120.293 108.864 11.429 1
1 193 . 10 1 1 A 24 24 THR H H 24 7.421 7.884 -0.463 1
1 194 . 10 1 1 A 24 24 THR CA C 24 58.831 59.065 -0.234 1
1 195 . 10 1 1 A 24 24 THR HA H 24 4.637 4.876 -0.239 1
1 196 . 10 1 1 A 24 24 THR CB C 24 72.609 71.667 0.942 1
1 202 . 10 1 1 A 24 24 THR C C 24 173.507 174.853 -1.346 1
1 203 . 10 1 1 A 25 25 LYS N N 25 124.488 122.481 2.007 1
1 204 . 10 1 1 A 25 25 LYS H H 25 8.175 8.492 -0.317 1
1 205 . 10 1 1 A 25 25 LYS CA C 25 58.622 59.838 -1.216 1
1 206 . 10 1 1 A 25 25 LYS HA H 25 3.105 2.990 0.115 1
1 207 . 10 1 1 A 25 25 LYS CB C 25 31.613 31.459 0.154 1
1 219 . 10 1 1 A 25 25 LYS C C 25 178.363 177.959 0.404 1
1 220 . 10 1 1 A 26 26 SER N N 26 112.511 116.542 -4.031 1
1 221 . 10 1 1 A 26 26 SER H H 26 8.248 7.900 0.348 1
1 222 . 10 1 1 A 26 26 SER CA C 26 61.540 61.820 -0.280 1
1 223 . 10 1 1 A 26 26 SER HA H 26 3.962 3.994 -0.032 1
1 224 . 10 1 1 A 26 26 SER CB C 26 62.203 62.522 -0.319 1
1 227 . 10 1 1 A 26 26 SER C C 26 176.506 176.702 -0.196 1
1 228 . 10 1 1 A 27 27 ASN N N 27 118.519 120.453 -1.934 1
1 229 . 10 1 1 A 27 27 ASN H H 27 7.575 7.613 -0.038 1
1 230 . 10 1 1 A 27 27 ASN CA C 27 55.248 56.473 -1.225 1
1 231 . 10 1 1 A 27 27 ASN HA H 27 4.432 4.430 0.002 1
1 232 . 10 1 1 A 27 27 ASN CB C 27 37.796 38.001 -0.205 1
1 238 . 10 1 1 A 27 27 ASN C C 27 177.845 177.714 0.131 1
1 239 . 10 1 1 A 28 28 LEU N N 28 123.404 120.873 2.531 1
1 240 . 10 1 1 A 28 28 LEU H H 28 7.347 7.386 -0.039 1
1 241 . 10 1 1 A 28 28 LEU CA C 28 58.281 57.960 0.321 1
1 242 . 10 1 1 A 28 28 LEU HA H 28 3.278 2.698 0.580 1
1 243 . 10 1 1 A 28 28 LEU CB C 28 40.486 41.463 -0.977 1
1 256 . 10 1 1 A 28 28 LEU C C 28 177.276 178.504 -1.228 1
1 257 . 10 1 1 A 29 29 ILE N N 29 120.611 119.943 0.668 1
1 258 . 10 1 1 A 29 29 ILE H H 29 8.285 8.145 0.140 1
1 259 . 10 1 1 A 29 29 ILE CA C 29 65.036 65.339 -0.303 1
1 260 . 10 1 1 A 29 29 ILE HA H 29 3.727 3.688 0.039 1
1 261 . 10 1 1 A 29 29 ILE CB C 29 37.616 37.827 -0.211 1
1 274 . 10 1 1 A 29 29 ILE C C 29 179.149 178.044 1.105 1
1 275 . 10 1 1 A 30 30 VAL N N 30 119.090 119.907 -0.817 1
1 276 . 10 1 1 A 30 30 VAL H H 30 7.578 8.045 -0.467 1
1 277 . 10 1 1 A 30 30 VAL CA C 30 66.753 66.410 0.343 1
1 278 . 10 1 1 A 30 30 VAL HA H 30 3.469 3.659 -0.190 1
1 279 . 10 1 1 A 30 30 VAL CB C 30 31.959 31.628 0.331 1
1 289 . 10 1 1 A 30 30 VAL C C 30 179.079 178.358 0.721 1
1 290 . 10 1 1 A 31 31 HIS N N 31 119.088 119.794 -0.706 1
1 291 . 10 1 1 A 31 31 HIS H H 31 7.441 7.970 -0.529 1
1 292 . 10 1 1 A 31 31 HIS CA C 31 59.210 59.110 0.100 1
1 293 . 10 1 1 A 31 31 HIS HA H 31 4.197 4.177 0.020 1
1 294 . 10 1 1 A 31 31 HIS CB C 31 28.110 30.209 -2.099 1
1 301 . 10 1 1 A 31 31 HIS C C 31 178.149 176.940 1.209 1
1 302 . 10 1 1 A 32 32 GLN N N 32 120.672 117.399 3.273 1
1 303 . 10 1 1 A 32 32 GLN H H 32 8.973 8.391 0.582 1
1 304 . 10 1 1 A 32 32 GLN CA C 32 59.954 59.248 0.706 1
1 305 . 10 1 1 A 32 32 GLN HA H 32 3.620 3.947 -0.327 1
1 306 . 10 1 1 A 32 32 GLN CB C 32 28.132 28.290 -0.158 1
1 315 . 10 1 1 A 32 32 GLN C C 32 177.938 178.591 -0.653 1
1 316 . 10 1 1 A 33 33 ARG N N 33 117.768 119.845 -2.077 1
1 317 . 10 1 1 A 33 33 ARG H H 33 7.323 7.634 -0.311 1
1 318 . 10 1 1 A 33 33 ARG CA C 33 58.576 59.446 -0.870 1
1 319 . 10 1 1 A 33 33 ARG HA H 33 4.171 3.955 0.216 1
1 320 . 10 1 1 A 33 33 ARG CB C 33 30.016 29.824 0.192 1
1 329 . 10 1 1 A 33 33 ARG C C 33 178.202 179.037 -0.835 1
1 330 . 10 1 1 A 34 34 THR N N 34 109.590 114.517 -4.927 1
1 331 . 10 1 1 A 34 34 THR H H 34 7.812 8.276 -0.464 1
1 332 . 10 1 1 A 34 34 THR CA C 34 63.867 64.445 -0.578 1
1 333 . 10 1 1 A 34 34 THR HA H 34 4.113 3.854 0.259 1
1 334 . 10 1 1 A 34 34 THR CB C 34 69.435 68.874 0.561 1
1 340 . 10 1 1 A 34 34 THR C C 34 175.584 175.980 -0.396 1
1 341 . 10 1 1 A 35 35 HIS N N 35 118.698 116.882 1.816 1
1 342 . 10 1 1 A 35 35 HIS H H 35 7.187 7.325 -0.138 1
1 343 . 10 1 1 A 35 35 HIS CA C 35 55.498 58.849 -3.351 1
1 344 . 10 1 1 A 35 35 HIS HA H 35 4.864 4.348 0.516 1
1 345 . 10 1 1 A 35 35 HIS CB C 35 28.676 31.131 -2.455 1
1 352 . 10 1 1 A 35 35 HIS C C 35 175.584 176.248 -0.664 1
1 353 . 10 1 1 A 36 36 THR N N 36 112.399 113.238 -0.839 1
1 354 . 10 1 1 A 36 36 THR H H 36 7.811 7.802 0.009 1
1 355 . 10 1 1 A 36 36 THR CA C 36 62.362 60.690 1.672 1
1 356 . 10 1 1 A 36 36 THR HA H 36 4.358 4.408 -0.050 1
1 357 . 10 1 1 A 36 36 THR CB C 36 69.845 68.277 1.568 1
1 363 . 10 1 1 A 36 36 THR C C 36 175.377 173.437 1.940 1
1 364 . 10 1 1 A 37 37 GLY N N 37 111.020 114.235 -3.215 1
1 365 . 10 1 1 A 37 37 GLY H H 37 8.446 8.089 0.357 1
1 366 . 10 1 1 A 37 37 GLY CA C 37 45.083 45.885 -0.802 1
1 367 . 10 1 1 A 37 37 GLY HA2 H 37 3.985 4.050 -0.065 1
1 368 . 10 1 1 A 37 37 GLY HA3 H 37 3.985 4.058 -0.073 1
1 369 . 10 1 1 A 37 37 GLY C C 37 174.005 172.268 1.737 1
1 370 . 10 1 1 A 38 38 GLU N N 38 120.659 123.850 -3.191 1
1 371 . 10 1 1 A 38 38 GLU H H 38 8.132 8.826 -0.694 1
1 372 . 10 1 1 A 38 38 GLU CA C 38 56.441 55.433 1.008 1
1 373 . 10 1 1 A 38 38 GLU HA H 38 4.240 4.817 -0.577 1
1 374 . 10 1 1 A 38 38 GLU CB C 38 30.497 33.708 -3.211 1
1 380 . 10 1 1 A 38 38 GLU C C 38 176.239 173.954 2.285 1
1 381 . 10 1 1 A 39 39 LYS N N 39 123.933 124.522 -0.589 1
1 382 . 10 1 1 A 39 39 LYS H H 39 8.428 8.795 -0.367 1
1 383 . 10 1 1 A 39 39 LYS CA C 39 54.087 53.066 1.021 1
1 384 . 10 1 1 A 39 39 LYS HA H 39 4.601 4.818 -0.217 1
1 385 . 10 1 1 A 39 39 LYS CB C 39 32.513 34.718 -2.205 1
1 397 . 10 1 1 A 39 39 LYS C C 39 174.467 175.884 -1.417 1
1 398 . 10 1 1 A 40 40 PRO CA C 40 63.220 64.070 -0.850 1
1 399 . 10 1 1 A 40 40 PRO HA H 40 4.446 4.447 -0.001 1
1 400 . 10 1 1 A 40 40 PRO CB C 40 32.146 31.791 0.355 1
1 409 . 10 1 1 A 40 40 PRO C C 40 176.972 177.216 -0.244 1
1 410 . 10 1 1 A 41 41 SER N N 41 116.493 113.608 2.885 1
1 411 . 10 1 1 A 41 41 SER H H 41 8.462 8.178 0.284 1
1 412 . 10 1 1 A 41 41 SER CA C 41 58.320 60.086 -1.766 1
1 413 . 10 1 1 A 41 41 SER HA H 41 4.470 4.390 0.080 1
1 414 . 10 1 1 A 41 41 SER CB C 41 64.163 63.932 0.231 1
1 417 . 10 1 1 A 41 41 SER C C 41 174.635 175.082 -0.447 1
1 418 . 10 1 1 A 42 42 GLY CA C 42 44.675 45.384 -0.709 1
1 419 . 10 1 1 A 42 42 GLY HA2 H 42 4.151 4.055 0.096 1
1 420 . 10 1 1 A 42 42 GLY HA3 H 42 4.095 4.055 0.040 1
1 421 . 10 1 1 A 43 43 PRO CA C 43 63.213 64.593 -1.380 1
1 422 . 10 1 1 A 43 43 PRO HA H 43 4.476 4.395 0.081 1
1 423 . 10 1 1 A 43 43 PRO CB C 43 32.217 31.526 0.691 1
1 432 . 10 1 1 A 45 45 SER CA C 45 58.359 57.970 0.389 1
1 433 . 10 1 1 A 45 45 SER HA H 45 4.496 4.393 0.103 1
1 434 . 10 1 1 A 45 45 SER CB C 45 64.036 64.552 -0.516 1
1 437 . 10 1 1 A 45 45 SER C C 45 173.895 175.628 -1.733 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.428 45.730 -0.302 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.049 4.055 -0.006 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.049 4.055 -0.006 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.518 174.350 0.168 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.808 114.570 -1.762 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.145 8.613 -0.468 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.842 61.321 0.521 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.361 4.560 -0.199 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.802 68.878 0.924 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.285 174.363 0.922 1
1 16 . 11 1 1 A 9 9 GLY N N 9 110.918 110.232 0.686 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.318 7.860 0.458 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.316 44.717 0.599 1
1 19 . 11 1 1 A 9 9 GLY HA2 H 9 3.961 4.081 -0.120 1
1 20 . 11 1 1 A 9 9 GLY HA3 H 9 3.961 4.082 -0.121 1
1 21 . 11 1 1 A 10 10 GLU N N 10 120.269 122.588 -2.319 1
1 22 . 11 1 1 A 10 10 GLU H H 10 8.223 8.663 -0.440 1
1 23 . 11 1 1 A 10 10 GLU CA C 10 56.774 54.902 1.872 1
1 24 . 11 1 1 A 10 10 GLU HA H 10 4.196 5.122 -0.926 1
1 25 . 11 1 1 A 10 10 GLU CB C 10 30.450 32.214 -1.764 1
1 31 . 11 1 1 A 10 10 GLU C C 10 176.312 175.622 0.690 1
1 32 . 11 1 1 A 11 11 LYS N N 11 121.676 126.716 -5.040 1
1 33 . 11 1 1 A 11 11 LYS H H 11 8.287 8.846 -0.559 1
1 34 . 11 1 1 A 11 11 LYS CA C 11 53.916 54.179 -0.263 1
1 35 . 11 1 1 A 11 11 LYS HA H 11 4.497 4.534 -0.037 1
1 36 . 11 1 1 A 11 11 LYS CB C 11 32.952 31.945 1.007 1
1 48 . 11 1 1 A 11 11 LYS C C 11 174.005 176.521 -2.516 1
1 49 . 11 1 1 A 12 12 PRO CA C 12 63.420 64.363 -0.943 1
1 50 . 11 1 1 A 12 12 PRO HA H 12 4.272 4.242 0.030 1
1 51 . 11 1 1 A 12 12 PRO CB C 12 32.270 31.703 0.567 1
1 60 . 11 1 1 A 12 12 PRO C C 12 176.312 175.926 0.386 1
1 61 . 11 1 1 A 13 13 PHE N N 13 118.211 117.928 0.283 1
1 62 . 11 1 1 A 13 13 PHE H H 13 8.097 7.516 0.581 1
1 63 . 11 1 1 A 13 13 PHE CA C 13 57.267 56.546 0.721 1
1 64 . 11 1 1 A 13 13 PHE HA H 13 4.640 5.308 -0.668 1
1 65 . 11 1 1 A 13 13 PHE CB C 13 39.302 42.837 -3.535 1
1 78 . 11 1 1 A 13 13 PHE C C 13 174.594 174.181 0.413 1
1 79 . 11 1 1 A 14 14 GLU N N 14 124.060 122.797 1.263 1
1 80 . 11 1 1 A 14 14 GLU H H 14 8.568 8.980 -0.412 1
1 81 . 11 1 1 A 14 14 GLU CA C 14 55.291 54.783 0.508 1
1 82 . 11 1 1 A 14 14 GLU HA H 14 4.849 5.510 -0.661 1
1 83 . 11 1 1 A 14 14 GLU CB C 14 32.713 33.469 -0.756 1
1 89 . 11 1 1 A 14 14 GLU C C 14 175.419 174.812 0.607 1
1 90 . 11 1 1 A 15 15 CYS N N 15 126.818 124.819 1.999 1
1 91 . 11 1 1 A 15 15 CYS H H 15 9.101 9.251 -0.150 1
1 92 . 11 1 1 A 15 15 CYS CA C 15 59.631 59.063 0.568 1
1 93 . 11 1 1 A 15 15 CYS HA H 15 4.558 4.733 -0.175 1
1 94 . 11 1 1 A 15 15 CYS CB C 15 29.865 28.847 1.018 1
1 97 . 11 1 1 A 15 15 CYS C C 15 176.885 174.757 2.128 1
1 98 . 11 1 1 A 16 16 SER N N 16 112.930 119.933 -7.003 1
1 99 . 11 1 1 A 16 16 SER H H 16 9.124 8.847 0.277 1
1 100 . 11 1 1 A 16 16 SER CA C 16 60.826 59.282 1.544 1
1 101 . 11 1 1 A 16 16 SER HA H 16 4.356 4.474 -0.118 1
1 102 . 11 1 1 A 16 16 SER CB C 16 63.144 64.678 -1.534 1
1 105 . 11 1 1 A 16 16 SER C C 16 174.769 176.329 -1.560 1
1 106 . 11 1 1 A 17 17 GLU N N 17 123.223 121.456 1.767 1
1 107 . 11 1 1 A 17 17 GLU H H 17 8.865 7.879 0.986 1
1 108 . 11 1 1 A 17 17 GLU CA C 17 57.918 58.770 -0.852 1
1 109 . 11 1 1 A 17 17 GLU HA H 17 4.287 4.049 0.238 1
1 110 . 11 1 1 A 17 17 GLU CB C 17 29.917 29.807 0.110 1
1 116 . 11 1 1 A 17 17 GLU C C 17 176.999 178.664 -1.665 1
1 117 . 11 1 1 A 18 18 CYS N N 18 116.163 115.213 0.950 1
1 118 . 11 1 1 A 18 18 CYS H H 18 7.875 7.592 0.283 1
1 119 . 11 1 1 A 18 18 CYS CA C 18 58.661 59.260 -0.599 1
1 120 . 11 1 1 A 18 18 CYS HA H 18 5.031 4.438 0.593 1
1 121 . 11 1 1 A 18 18 CYS CB C 18 31.745 29.024 2.721 1
1 124 . 11 1 1 A 18 18 CYS C C 18 174.845 174.754 0.091 1
1 125 . 11 1 1 A 19 19 GLN N N 19 116.345 116.439 -0.094 1
1 126 . 11 1 1 A 19 19 GLN H H 19 8.133 7.932 0.201 1
1 127 . 11 1 1 A 19 19 GLN CA C 19 58.722 57.168 1.554 1
1 128 . 11 1 1 A 19 19 GLN HA H 19 4.117 4.175 -0.058 1
1 129 . 11 1 1 A 19 19 GLN CB C 19 26.290 26.290 0.000 1
1 138 . 11 1 1 A 19 19 GLN C C 19 174.950 174.363 0.587 1
1 139 . 11 1 1 A 20 20 LYS N N 20 121.633 119.431 2.202 1
1 140 . 11 1 1 A 20 20 LYS H H 20 7.934 7.971 -0.037 1
1 141 . 11 1 1 A 20 20 LYS CA C 20 57.862 56.045 1.817 1
1 142 . 11 1 1 A 20 20 LYS HA H 20 4.083 4.414 -0.331 1
1 143 . 11 1 1 A 20 20 LYS CB C 20 34.143 34.024 0.119 1
1 155 . 11 1 1 A 20 20 LYS C C 20 173.968 175.434 -1.466 1
1 156 . 11 1 1 A 21 21 ALA N N 21 123.578 126.300 -2.722 1
1 157 . 11 1 1 A 21 21 ALA H H 21 7.807 8.415 -0.608 1
1 158 . 11 1 1 A 21 21 ALA CA C 21 50.538 51.076 -0.538 1
1 159 . 11 1 1 A 21 21 ALA HA H 21 5.067 5.333 -0.266 1
1 160 . 11 1 1 A 21 21 ALA CB C 21 22.260 20.867 1.393 1
1 164 . 11 1 1 A 21 21 ALA C C 21 176.143 176.877 -0.734 1
1 165 . 11 1 1 A 22 22 PHE N N 22 116.532 118.013 -1.481 1
1 166 . 11 1 1 A 22 22 PHE H H 22 8.637 8.785 -0.148 1
1 167 . 11 1 1 A 22 22 PHE CA C 22 57.465 56.847 0.618 1
1 168 . 11 1 1 A 22 22 PHE HA H 22 4.665 4.972 -0.307 1
1 169 . 11 1 1 A 22 22 PHE CB C 22 43.945 43.982 -0.037 1
1 182 . 11 1 1 A 22 22 PHE C C 22 175.082 175.440 -0.358 1
1 183 . 11 1 1 A 23 23 ASN CA C 23 55.192 54.186 1.006 1
1 184 . 11 1 1 A 23 23 ASN HA H 23 4.880 5.015 -0.135 1
1 185 . 11 1 1 A 23 23 ASN CB C 23 39.136 39.563 -0.427 1
1 191 . 11 1 1 A 23 23 ASN C C 23 175.375 175.475 -0.100 1
1 192 . 11 1 1 A 24 24 THR N N 24 120.293 110.271 10.022 1
1 193 . 11 1 1 A 24 24 THR H H 24 7.421 7.836 -0.415 1
1 194 . 11 1 1 A 24 24 THR CA C 24 58.831 59.055 -0.224 1
1 195 . 11 1 1 A 24 24 THR HA H 24 4.637 4.698 -0.061 1
1 196 . 11 1 1 A 24 24 THR CB C 24 72.609 71.562 1.047 1
1 202 . 11 1 1 A 24 24 THR C C 24 173.507 174.695 -1.188 1
1 203 . 11 1 1 A 25 25 LYS N N 25 124.488 122.818 1.670 1
1 204 . 11 1 1 A 25 25 LYS H H 25 8.175 8.409 -0.234 1
1 205 . 11 1 1 A 25 25 LYS CA C 25 58.622 59.651 -1.029 1
1 206 . 11 1 1 A 25 25 LYS HA H 25 3.105 3.083 0.022 1
1 207 . 11 1 1 A 25 25 LYS CB C 25 31.613 31.587 0.026 1
1 219 . 11 1 1 A 25 25 LYS C C 25 178.363 177.800 0.563 1
1 220 . 11 1 1 A 26 26 SER N N 26 112.511 114.665 -2.154 1
1 221 . 11 1 1 A 26 26 SER H H 26 8.248 8.238 0.010 1
1 222 . 11 1 1 A 26 26 SER CA C 26 61.540 61.277 0.263 1
1 223 . 11 1 1 A 26 26 SER HA H 26 3.962 4.095 -0.133 1
1 224 . 11 1 1 A 26 26 SER CB C 26 62.203 62.584 -0.381 1
1 227 . 11 1 1 A 26 26 SER C C 26 176.506 177.210 -0.704 1
1 228 . 11 1 1 A 27 27 ASN N N 27 118.519 120.650 -2.131 1
1 229 . 11 1 1 A 27 27 ASN H H 27 7.575 8.054 -0.479 1
1 230 . 11 1 1 A 27 27 ASN CA C 27 55.248 56.248 -1.000 1
1 231 . 11 1 1 A 27 27 ASN HA H 27 4.432 4.465 -0.033 1
1 232 . 11 1 1 A 27 27 ASN CB C 27 37.796 37.823 -0.027 1
1 238 . 11 1 1 A 27 27 ASN C C 27 177.845 177.652 0.193 1
1 239 . 11 1 1 A 28 28 LEU N N 28 123.404 120.693 2.711 1
1 240 . 11 1 1 A 28 28 LEU H H 28 7.347 7.619 -0.272 1
1 241 . 11 1 1 A 28 28 LEU CA C 28 58.281 57.911 0.370 1
1 242 . 11 1 1 A 28 28 LEU HA H 28 3.278 2.927 0.351 1
1 243 . 11 1 1 A 28 28 LEU CB C 28 40.486 41.533 -1.047 1
1 256 . 11 1 1 A 28 28 LEU C C 28 177.276 178.543 -1.267 1
1 257 . 11 1 1 A 29 29 ILE N N 29 120.611 120.032 0.579 1
1 258 . 11 1 1 A 29 29 ILE H H 29 8.285 8.138 0.147 1
1 259 . 11 1 1 A 29 29 ILE CA C 29 65.036 65.399 -0.363 1
1 260 . 11 1 1 A 29 29 ILE HA H 29 3.727 3.542 0.185 1
1 261 . 11 1 1 A 29 29 ILE CB C 29 37.616 37.682 -0.066 1
1 274 . 11 1 1 A 29 29 ILE C C 29 179.149 178.186 0.963 1
1 275 . 11 1 1 A 30 30 VAL N N 30 119.090 120.203 -1.113 1
1 276 . 11 1 1 A 30 30 VAL H H 30 7.578 7.832 -0.254 1
1 277 . 11 1 1 A 30 30 VAL CA C 30 66.753 66.177 0.576 1
1 278 . 11 1 1 A 30 30 VAL HA H 30 3.469 3.630 -0.161 1
1 279 . 11 1 1 A 30 30 VAL CB C 30 31.959 31.473 0.486 1
1 289 . 11 1 1 A 30 30 VAL C C 30 179.079 177.768 1.311 1
1 290 . 11 1 1 A 31 31 HIS N N 31 119.088 119.547 -0.459 1
1 291 . 11 1 1 A 31 31 HIS H H 31 7.441 7.827 -0.386 1
1 292 . 11 1 1 A 31 31 HIS CA C 31 59.210 58.536 0.674 1
1 293 . 11 1 1 A 31 31 HIS HA H 31 4.197 4.233 -0.036 1
1 294 . 11 1 1 A 31 31 HIS CB C 31 28.110 30.250 -2.140 1
1 301 . 11 1 1 A 31 31 HIS C C 31 178.149 177.083 1.066 1
1 302 . 11 1 1 A 32 32 GLN N N 32 120.672 118.757 1.915 1
1 303 . 11 1 1 A 32 32 GLN H H 32 8.973 7.944 1.029 1
1 304 . 11 1 1 A 32 32 GLN CA C 32 59.954 58.526 1.428 1
1 305 . 11 1 1 A 32 32 GLN HA H 32 3.620 4.087 -0.467 1
1 306 . 11 1 1 A 32 32 GLN CB C 32 28.132 28.563 -0.431 1
1 315 . 11 1 1 A 32 32 GLN C C 32 177.938 178.589 -0.651 1
1 316 . 11 1 1 A 33 33 ARG N N 33 117.768 118.870 -1.102 1
1 317 . 11 1 1 A 33 33 ARG H H 33 7.323 8.309 -0.986 1
1 318 . 11 1 1 A 33 33 ARG CA C 33 58.576 58.811 -0.235 1
1 319 . 11 1 1 A 33 33 ARG HA H 33 4.171 4.085 0.086 1
1 320 . 11 1 1 A 33 33 ARG CB C 33 30.016 29.880 0.136 1
1 329 . 11 1 1 A 33 33 ARG C C 33 178.202 178.355 -0.153 1
1 330 . 11 1 1 A 34 34 THR N N 34 109.590 115.243 -5.653 1
1 331 . 11 1 1 A 34 34 THR H H 34 7.812 7.492 0.320 1
1 332 . 11 1 1 A 34 34 THR CA C 34 63.867 65.106 -1.239 1
1 333 . 11 1 1 A 34 34 THR HA H 34 4.113 4.039 0.074 1
1 334 . 11 1 1 A 34 34 THR CB C 34 69.435 68.588 0.847 1
1 340 . 11 1 1 A 34 34 THR C C 34 175.584 176.791 -1.207 1
1 341 . 11 1 1 A 35 35 HIS N N 35 118.698 120.289 -1.591 1
1 342 . 11 1 1 A 35 35 HIS H H 35 7.187 7.881 -0.694 1
1 343 . 11 1 1 A 35 35 HIS CA C 35 55.498 59.197 -3.699 1
1 344 . 11 1 1 A 35 35 HIS HA H 35 4.864 4.125 0.739 1
1 345 . 11 1 1 A 35 35 HIS CB C 35 28.676 29.749 -1.073 1
1 352 . 11 1 1 A 35 35 HIS C C 35 175.584 175.507 0.077 1
1 353 . 11 1 1 A 36 36 THR N N 36 112.399 112.068 0.331 1
1 354 . 11 1 1 A 36 36 THR H H 36 7.811 8.167 -0.356 1
1 355 . 11 1 1 A 36 36 THR CA C 36 62.362 63.010 -0.648 1
1 356 . 11 1 1 A 36 36 THR HA H 36 4.358 3.953 0.405 1
1 357 . 11 1 1 A 36 36 THR CB C 36 69.845 66.733 3.112 1
1 363 . 11 1 1 A 36 36 THR C C 36 175.377 173.983 1.394 1
1 364 . 11 1 1 A 37 37 GLY N N 37 111.020 110.580 0.440 1
1 365 . 11 1 1 A 37 37 GLY H H 37 8.446 8.146 0.300 1
1 366 . 11 1 1 A 37 37 GLY CA C 37 45.083 44.240 0.843 1
1 367 . 11 1 1 A 37 37 GLY HA2 H 37 3.985 4.071 -0.086 1
1 368 . 11 1 1 A 37 37 GLY HA3 H 37 3.985 4.074 -0.089 1
1 369 . 11 1 1 A 37 37 GLY C C 37 174.005 172.909 1.096 1
1 370 . 11 1 1 A 38 38 GLU N N 38 120.659 120.982 -0.323 1
1 371 . 11 1 1 A 38 38 GLU H H 38 8.132 8.254 -0.122 1
1 372 . 11 1 1 A 38 38 GLU CA C 38 56.441 57.031 -0.590 1
1 373 . 11 1 1 A 38 38 GLU HA H 38 4.240 4.246 -0.006 1
1 374 . 11 1 1 A 38 38 GLU CB C 38 30.497 30.354 0.143 1
1 380 . 11 1 1 A 38 38 GLU C C 38 176.239 175.789 0.450 1
1 381 . 11 1 1 A 39 39 LYS N N 39 123.933 124.371 -0.438 1
1 382 . 11 1 1 A 39 39 LYS H H 39 8.428 8.368 0.060 1
1 383 . 11 1 1 A 39 39 LYS CA C 39 54.087 54.020 0.067 1
1 384 . 11 1 1 A 39 39 LYS HA H 39 4.601 4.841 -0.240 1
1 385 . 11 1 1 A 39 39 LYS CB C 39 32.513 33.204 -0.691 1
1 397 . 11 1 1 A 39 39 LYS C C 39 174.467 174.705 -0.238 1
1 398 . 11 1 1 A 40 40 PRO CA C 40 63.220 62.650 0.570 1
1 399 . 11 1 1 A 40 40 PRO HA H 40 4.446 4.636 -0.190 1
1 400 . 11 1 1 A 40 40 PRO CB C 40 32.146 31.623 0.523 1
1 409 . 11 1 1 A 40 40 PRO C C 40 176.972 176.730 0.242 1
1 410 . 11 1 1 A 41 41 SER N N 41 116.493 118.019 -1.526 1
1 411 . 11 1 1 A 41 41 SER H H 41 8.462 8.565 -0.103 1
1 412 . 11 1 1 A 41 41 SER CA C 41 58.320 59.348 -1.028 1
1 413 . 11 1 1 A 41 41 SER HA H 41 4.470 4.304 0.166 1
1 414 . 11 1 1 A 41 41 SER CB C 41 64.163 63.419 0.744 1
1 417 . 11 1 1 A 41 41 SER C C 41 174.635 174.056 0.579 1
1 418 . 11 1 1 A 42 42 GLY CA C 42 44.675 45.462 -0.787 1
1 419 . 11 1 1 A 42 42 GLY HA2 H 42 4.151 4.199 -0.048 1
1 420 . 11 1 1 A 42 42 GLY HA3 H 42 4.095 4.200 -0.105 1
1 421 . 11 1 1 A 43 43 PRO CA C 43 63.213 63.717 -0.504 1
1 422 . 11 1 1 A 43 43 PRO HA H 43 4.476 4.540 -0.064 1
1 423 . 11 1 1 A 43 43 PRO CB C 43 32.217 31.879 0.338 1
1 432 . 11 1 1 A 45 45 SER CA C 45 58.359 56.789 1.570 1
1 433 . 11 1 1 A 45 45 SER HA H 45 4.496 4.912 -0.416 1
1 434 . 11 1 1 A 45 45 SER CB C 45 64.036 64.138 -0.102 1
1 437 . 11 1 1 A 45 45 SER C C 45 173.895 173.448 0.447 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.428 44.461 0.967 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.049 4.046 0.003 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.049 4.048 0.001 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.518 174.512 0.006 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.808 114.890 -2.082 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.145 8.671 -0.526 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.842 61.918 -0.076 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.361 4.324 0.037 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.802 68.715 1.087 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.285 174.195 1.090 1
1 16 . 12 1 1 A 9 9 GLY N N 9 110.918 109.041 1.877 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.318 7.816 0.502 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.316 44.883 0.433 1
1 19 . 12 1 1 A 9 9 GLY HA2 H 9 3.961 3.997 -0.036 1
1 20 . 12 1 1 A 9 9 GLY HA3 H 9 3.961 4.006 -0.045 1
1 21 . 12 1 1 A 10 10 GLU N N 10 120.269 121.983 -1.714 1
1 22 . 12 1 1 A 10 10 GLU H H 10 8.223 8.935 -0.712 1
1 23 . 12 1 1 A 10 10 GLU CA C 10 56.774 56.072 0.702 1
1 24 . 12 1 1 A 10 10 GLU HA H 10 4.196 4.613 -0.417 1
1 25 . 12 1 1 A 10 10 GLU CB C 10 30.450 29.754 0.696 1
1 31 . 12 1 1 A 10 10 GLU C C 10 176.312 174.855 1.457 1
1 32 . 12 1 1 A 11 11 LYS N N 11 121.676 119.553 2.123 1
1 33 . 12 1 1 A 11 11 LYS H H 11 8.287 7.389 0.898 1
1 34 . 12 1 1 A 11 11 LYS CA C 11 53.916 53.172 0.744 1
1 35 . 12 1 1 A 11 11 LYS HA H 11 4.497 4.732 -0.235 1
1 36 . 12 1 1 A 11 11 LYS CB C 11 32.952 33.924 -0.972 1
1 48 . 12 1 1 A 11 11 LYS C C 11 174.005 176.302 -2.297 1
1 49 . 12 1 1 A 12 12 PRO CA C 12 63.420 64.448 -1.028 1
1 50 . 12 1 1 A 12 12 PRO HA H 12 4.272 4.239 0.033 1
1 51 . 12 1 1 A 12 12 PRO CB C 12 32.270 31.781 0.489 1
1 60 . 12 1 1 A 12 12 PRO C C 12 176.312 175.977 0.335 1
1 61 . 12 1 1 A 13 13 PHE N N 13 118.211 118.132 0.079 1
1 62 . 12 1 1 A 13 13 PHE H H 13 8.097 7.486 0.611 1
1 63 . 12 1 1 A 13 13 PHE CA C 13 57.267 56.760 0.507 1
1 64 . 12 1 1 A 13 13 PHE HA H 13 4.640 5.292 -0.652 1
1 65 . 12 1 1 A 13 13 PHE CB C 13 39.302 42.453 -3.151 1
1 78 . 12 1 1 A 13 13 PHE C C 13 174.594 174.263 0.331 1
1 79 . 12 1 1 A 14 14 GLU N N 14 124.060 122.528 1.532 1
1 80 . 12 1 1 A 14 14 GLU H H 14 8.568 8.971 -0.403 1
1 81 . 12 1 1 A 14 14 GLU CA C 14 55.291 54.771 0.520 1
1 82 . 12 1 1 A 14 14 GLU HA H 14 4.849 5.435 -0.586 1
1 83 . 12 1 1 A 14 14 GLU CB C 14 32.713 33.524 -0.811 1
1 89 . 12 1 1 A 14 14 GLU C C 14 175.419 174.743 0.676 1
1 90 . 12 1 1 A 15 15 CYS N N 15 126.818 124.627 2.191 1
1 91 . 12 1 1 A 15 15 CYS H H 15 9.101 9.280 -0.179 1
1 92 . 12 1 1 A 15 15 CYS CA C 15 59.631 59.088 0.543 1
1 93 . 12 1 1 A 15 15 CYS HA H 15 4.558 4.768 -0.210 1
1 94 . 12 1 1 A 15 15 CYS CB C 15 29.865 28.956 0.909 1
1 97 . 12 1 1 A 15 15 CYS C C 15 176.885 174.592 2.293 1
1 98 . 12 1 1 A 16 16 SER N N 16 112.930 119.736 -6.806 1
1 99 . 12 1 1 A 16 16 SER H H 16 9.124 8.895 0.229 1
1 100 . 12 1 1 A 16 16 SER CA C 16 60.826 58.883 1.943 1
1 101 . 12 1 1 A 16 16 SER HA H 16 4.356 4.897 -0.541 1
1 102 . 12 1 1 A 16 16 SER CB C 16 63.144 65.213 -2.069 1
1 105 . 12 1 1 A 16 16 SER C C 16 174.769 175.985 -1.216 1
1 106 . 12 1 1 A 17 17 GLU N N 17 123.223 120.273 2.950 1
1 107 . 12 1 1 A 17 17 GLU H H 17 8.865 8.139 0.726 1
1 108 . 12 1 1 A 17 17 GLU CA C 17 57.918 58.420 -0.502 1
1 109 . 12 1 1 A 17 17 GLU HA H 17 4.287 4.260 0.027 1
1 110 . 12 1 1 A 17 17 GLU CB C 17 29.917 30.394 -0.477 1
1 116 . 12 1 1 A 17 17 GLU C C 17 176.999 178.294 -1.295 1
1 117 . 12 1 1 A 18 18 CYS N N 18 116.163 115.688 0.475 1
1 118 . 12 1 1 A 18 18 CYS H H 18 7.875 7.682 0.193 1
1 119 . 12 1 1 A 18 18 CYS CA C 18 58.661 59.309 -0.648 1
1 120 . 12 1 1 A 18 18 CYS HA H 18 5.031 4.416 0.615 1
1 121 . 12 1 1 A 18 18 CYS CB C 18 31.745 28.764 2.981 1
1 124 . 12 1 1 A 18 18 CYS C C 18 174.845 174.589 0.256 1
1 125 . 12 1 1 A 19 19 GLN N N 19 116.345 116.495 -0.150 1
1 126 . 12 1 1 A 19 19 GLN H H 19 8.133 7.936 0.197 1
1 127 . 12 1 1 A 19 19 GLN CA C 19 58.722 56.821 1.901 1
1 128 . 12 1 1 A 19 19 GLN HA H 19 4.117 3.877 0.240 1
1 129 . 12 1 1 A 19 19 GLN CB C 19 26.290 26.249 0.041 1
1 138 . 12 1 1 A 19 19 GLN C C 19 174.950 174.150 0.800 1
1 139 . 12 1 1 A 20 20 LYS N N 20 121.633 119.350 2.283 1
1 140 . 12 1 1 A 20 20 LYS H H 20 7.934 7.921 0.013 1
1 141 . 12 1 1 A 20 20 LYS CA C 20 57.862 55.594 2.268 1
1 142 . 12 1 1 A 20 20 LYS HA H 20 4.083 4.681 -0.598 1
1 143 . 12 1 1 A 20 20 LYS CB C 20 34.143 34.253 -0.110 1
1 155 . 12 1 1 A 20 20 LYS C C 20 173.968 175.854 -1.886 1
1 156 . 12 1 1 A 21 21 ALA N N 21 123.578 126.942 -3.364 1
1 157 . 12 1 1 A 21 21 ALA H H 21 7.807 8.496 -0.689 1
1 158 . 12 1 1 A 21 21 ALA CA C 21 50.538 51.138 -0.600 1
1 159 . 12 1 1 A 21 21 ALA HA H 21 5.067 5.214 -0.147 1
1 160 . 12 1 1 A 21 21 ALA CB C 21 22.260 20.691 1.569 1
1 164 . 12 1 1 A 21 21 ALA C C 21 176.143 176.778 -0.635 1
1 165 . 12 1 1 A 22 22 PHE N N 22 116.532 118.233 -1.701 1
1 166 . 12 1 1 A 22 22 PHE H H 22 8.637 8.658 -0.021 1
1 167 . 12 1 1 A 22 22 PHE CA C 22 57.465 56.854 0.611 1
1 168 . 12 1 1 A 22 22 PHE HA H 22 4.665 5.030 -0.365 1
1 169 . 12 1 1 A 22 22 PHE CB C 22 43.945 43.901 0.044 1
1 182 . 12 1 1 A 22 22 PHE C C 22 175.082 175.638 -0.556 1
1 183 . 12 1 1 A 23 23 ASN CA C 23 55.192 54.742 0.450 1
1 184 . 12 1 1 A 23 23 ASN HA H 23 4.880 4.999 -0.119 1
1 185 . 12 1 1 A 23 23 ASN CB C 23 39.136 40.187 -1.051 1
1 191 . 12 1 1 A 23 23 ASN C C 23 175.375 175.466 -0.091 1
1 192 . 12 1 1 A 24 24 THR N N 24 120.293 108.798 11.495 1
1 193 . 12 1 1 A 24 24 THR H H 24 7.421 7.839 -0.418 1
1 194 . 12 1 1 A 24 24 THR CA C 24 58.831 59.029 -0.198 1
1 195 . 12 1 1 A 24 24 THR HA H 24 4.637 4.805 -0.168 1
1 196 . 12 1 1 A 24 24 THR CB C 24 72.609 71.599 1.010 1
1 202 . 12 1 1 A 24 24 THR C C 24 173.507 174.764 -1.257 1
1 203 . 12 1 1 A 25 25 LYS N N 25 124.488 122.678 1.810 1
1 204 . 12 1 1 A 25 25 LYS H H 25 8.175 8.304 -0.129 1
1 205 . 12 1 1 A 25 25 LYS CA C 25 58.622 59.811 -1.189 1
1 206 . 12 1 1 A 25 25 LYS HA H 25 3.105 3.167 -0.062 1
1 207 . 12 1 1 A 25 25 LYS CB C 25 31.613 31.325 0.288 1
1 219 . 12 1 1 A 25 25 LYS C C 25 178.363 178.038 0.325 1
1 220 . 12 1 1 A 26 26 SER N N 26 112.511 116.711 -4.200 1
1 221 . 12 1 1 A 26 26 SER H H 26 8.248 7.922 0.326 1
1 222 . 12 1 1 A 26 26 SER CA C 26 61.540 62.061 -0.521 1
1 223 . 12 1 1 A 26 26 SER HA H 26 3.962 3.975 -0.013 1
1 224 . 12 1 1 A 26 26 SER CB C 26 62.203 62.747 -0.544 1
1 227 . 12 1 1 A 26 26 SER C C 26 176.506 176.731 -0.225 1
1 228 . 12 1 1 A 27 27 ASN N N 27 118.519 120.546 -2.027 1
1 229 . 12 1 1 A 27 27 ASN H H 27 7.575 8.001 -0.426 1
1 230 . 12 1 1 A 27 27 ASN CA C 27 55.248 56.199 -0.951 1
1 231 . 12 1 1 A 27 27 ASN HA H 27 4.432 4.455 -0.023 1
1 232 . 12 1 1 A 27 27 ASN CB C 27 37.796 37.876 -0.080 1
1 238 . 12 1 1 A 27 27 ASN C C 27 177.845 177.583 0.262 1
1 239 . 12 1 1 A 28 28 LEU N N 28 123.404 120.758 2.646 1
1 240 . 12 1 1 A 28 28 LEU H H 28 7.347 7.474 -0.127 1
1 241 . 12 1 1 A 28 28 LEU CA C 28 58.281 57.933 0.348 1
1 242 . 12 1 1 A 28 28 LEU HA H 28 3.278 3.079 0.199 1
1 243 . 12 1 1 A 28 28 LEU CB C 28 40.486 41.509 -1.023 1
1 256 . 12 1 1 A 28 28 LEU C C 28 177.276 178.321 -1.045 1
1 257 . 12 1 1 A 29 29 ILE N N 29 120.611 120.029 0.582 1
1 258 . 12 1 1 A 29 29 ILE H H 29 8.285 8.121 0.164 1
1 259 . 12 1 1 A 29 29 ILE CA C 29 65.036 65.361 -0.325 1
1 260 . 12 1 1 A 29 29 ILE HA H 29 3.727 3.545 0.182 1
1 261 . 12 1 1 A 29 29 ILE CB C 29 37.616 37.564 0.052 1
1 274 . 12 1 1 A 29 29 ILE C C 29 179.149 178.075 1.074 1
1 275 . 12 1 1 A 30 30 VAL N N 30 119.090 120.100 -1.010 1
1 276 . 12 1 1 A 30 30 VAL H H 30 7.578 7.749 -0.171 1
1 277 . 12 1 1 A 30 30 VAL CA C 30 66.753 66.280 0.473 1
1 278 . 12 1 1 A 30 30 VAL HA H 30 3.469 3.575 -0.106 1
1 279 . 12 1 1 A 30 30 VAL CB C 30 31.959 31.371 0.588 1
1 289 . 12 1 1 A 30 30 VAL C C 30 179.079 177.542 1.537 1
1 290 . 12 1 1 A 31 31 HIS N N 31 119.088 119.696 -0.608 1
1 291 . 12 1 1 A 31 31 HIS H H 31 7.441 7.979 -0.538 1
1 292 . 12 1 1 A 31 31 HIS CA C 31 59.210 58.227 0.983 1
1 293 . 12 1 1 A 31 31 HIS HA H 31 4.197 4.118 0.079 1
1 294 . 12 1 1 A 31 31 HIS CB C 31 28.110 30.305 -2.195 1
1 301 . 12 1 1 A 31 31 HIS C C 31 178.149 176.847 1.302 1
1 302 . 12 1 1 A 32 32 GLN N N 32 120.672 118.610 2.062 1
1 303 . 12 1 1 A 32 32 GLN H H 32 8.973 7.829 1.144 1
1 304 . 12 1 1 A 32 32 GLN CA C 32 59.954 58.520 1.434 1
1 305 . 12 1 1 A 32 32 GLN HA H 32 3.620 4.175 -0.555 1
1 306 . 12 1 1 A 32 32 GLN CB C 32 28.132 29.018 -0.886 1
1 315 . 12 1 1 A 32 32 GLN C C 32 177.938 178.625 -0.687 1
1 316 . 12 1 1 A 33 33 ARG N N 33 117.768 118.869 -1.101 1
1 317 . 12 1 1 A 33 33 ARG H H 33 7.323 8.118 -0.795 1
1 318 . 12 1 1 A 33 33 ARG CA C 33 58.576 58.630 -0.054 1
1 319 . 12 1 1 A 33 33 ARG HA H 33 4.171 4.062 0.109 1
1 320 . 12 1 1 A 33 33 ARG CB C 33 30.016 30.086 -0.070 1
1 329 . 12 1 1 A 33 33 ARG C C 33 178.202 178.206 -0.004 1
1 330 . 12 1 1 A 34 34 THR N N 34 109.590 115.427 -5.837 1
1 331 . 12 1 1 A 34 34 THR H H 34 7.812 7.405 0.407 1
1 332 . 12 1 1 A 34 34 THR CA C 34 63.867 65.498 -1.631 1
1 333 . 12 1 1 A 34 34 THR HA H 34 4.113 3.892 0.221 1
1 334 . 12 1 1 A 34 34 THR CB C 34 69.435 68.561 0.874 1
1 340 . 12 1 1 A 34 34 THR C C 34 175.584 176.722 -1.138 1
1 341 . 12 1 1 A 35 35 HIS N N 35 118.698 119.398 -0.700 1
1 342 . 12 1 1 A 35 35 HIS H H 35 7.187 7.976 -0.789 1
1 343 . 12 1 1 A 35 35 HIS CA C 35 55.498 59.141 -3.643 1
1 344 . 12 1 1 A 35 35 HIS HA H 35 4.864 4.139 0.725 1
1 345 . 12 1 1 A 35 35 HIS CB C 35 28.676 29.922 -1.246 1
1 352 . 12 1 1 A 35 35 HIS C C 35 175.584 177.711 -2.127 1
1 353 . 12 1 1 A 36 36 THR N N 36 112.399 113.774 -1.375 1
1 354 . 12 1 1 A 36 36 THR H H 36 7.811 7.707 0.104 1
1 355 . 12 1 1 A 36 36 THR CA C 36 62.362 66.504 -4.142 1
1 356 . 12 1 1 A 36 36 THR HA H 36 4.358 3.876 0.482 1
1 357 . 12 1 1 A 36 36 THR CB C 36 69.845 68.392 1.453 1
1 363 . 12 1 1 A 36 36 THR C C 36 175.377 176.075 -0.698 1
1 364 . 12 1 1 A 37 37 GLY N N 37 111.020 108.436 2.584 1
1 365 . 12 1 1 A 37 37 GLY H H 37 8.446 8.330 0.116 1
1 366 . 12 1 1 A 37 37 GLY CA C 37 45.083 45.693 -0.610 1
1 367 . 12 1 1 A 37 37 GLY HA2 H 37 3.985 3.896 0.089 1
1 368 . 12 1 1 A 37 37 GLY HA3 H 37 3.985 3.904 0.081 1
1 369 . 12 1 1 A 37 37 GLY C C 37 174.005 174.932 -0.927 1
1 370 . 12 1 1 A 38 38 GLU N N 38 120.659 117.647 3.012 1
1 371 . 12 1 1 A 38 38 GLU H H 38 8.132 9.021 -0.889 1
1 372 . 12 1 1 A 38 38 GLU CA C 38 56.441 57.420 -0.979 1
1 373 . 12 1 1 A 38 38 GLU HA H 38 4.240 3.820 0.420 1
1 374 . 12 1 1 A 38 38 GLU CB C 38 30.497 27.723 2.774 1
1 380 . 12 1 1 A 38 38 GLU C C 38 176.239 175.400 0.839 1
1 381 . 12 1 1 A 39 39 LYS N N 39 123.933 117.362 6.571 1
1 382 . 12 1 1 A 39 39 LYS H H 39 8.428 7.591 0.837 1
1 383 . 12 1 1 A 39 39 LYS CA C 39 54.087 55.157 -1.070 1
1 384 . 12 1 1 A 39 39 LYS HA H 39 4.601 4.485 0.116 1
1 385 . 12 1 1 A 39 39 LYS CB C 39 32.513 32.250 0.263 1
1 397 . 12 1 1 A 39 39 LYS C C 39 174.467 175.956 -1.489 1
1 398 . 12 1 1 A 40 40 PRO CA C 40 63.220 62.521 0.699 1
1 399 . 12 1 1 A 40 40 PRO HA H 40 4.446 4.527 -0.081 1
1 400 . 12 1 1 A 40 40 PRO CB C 40 32.146 32.216 -0.070 1
1 409 . 12 1 1 A 40 40 PRO C C 40 176.972 176.684 0.288 1
1 410 . 12 1 1 A 41 41 SER N N 41 116.493 115.230 1.263 1
1 411 . 12 1 1 A 41 41 SER H H 41 8.462 8.479 -0.017 1
1 412 . 12 1 1 A 41 41 SER CA C 41 58.320 58.116 0.204 1
1 413 . 12 1 1 A 41 41 SER HA H 41 4.470 4.577 -0.107 1
1 414 . 12 1 1 A 41 41 SER CB C 41 64.163 63.499 0.664 1
1 417 . 12 1 1 A 41 41 SER C C 41 174.635 174.363 0.272 1
1 418 . 12 1 1 A 42 42 GLY CA C 42 44.675 46.618 -1.943 1
1 419 . 12 1 1 A 42 42 GLY HA2 H 42 4.151 4.486 -0.335 1
1 420 . 12 1 1 A 42 42 GLY HA3 H 42 4.095 4.486 -0.391 1
1 421 . 12 1 1 A 43 43 PRO CA C 43 63.213 62.714 0.499 1
1 422 . 12 1 1 A 43 43 PRO HA H 43 4.476 4.730 -0.254 1
1 423 . 12 1 1 A 43 43 PRO CB C 43 32.217 30.638 1.579 1
1 432 . 12 1 1 A 45 45 SER CA C 45 58.359 56.884 1.475 1
1 433 . 12 1 1 A 45 45 SER HA H 45 4.496 4.854 -0.358 1
1 434 . 12 1 1 A 45 45 SER CB C 45 64.036 64.247 -0.211 1
1 437 . 12 1 1 A 45 45 SER C C 45 173.895 174.320 -0.425 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.428 46.730 -1.302 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.049 3.958 0.091 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.049 3.958 0.091 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.518 173.758 0.760 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.808 115.154 -2.346 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.145 8.298 -0.153 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.842 60.499 1.343 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.361 4.801 -0.440 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.802 70.817 -1.015 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.285 174.688 0.597 1
1 16 . 13 1 1 A 9 9 GLY N N 9 110.918 112.428 -1.510 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.318 8.845 -0.527 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.316 46.651 -1.335 1
1 19 . 13 1 1 A 9 9 GLY HA2 H 9 3.961 3.886 0.075 1
1 20 . 13 1 1 A 9 9 GLY HA3 H 9 3.961 3.888 0.073 1
1 21 . 13 1 1 A 10 10 GLU N N 10 120.269 119.491 0.778 1
1 22 . 13 1 1 A 10 10 GLU H H 10 8.223 7.910 0.313 1
1 23 . 13 1 1 A 10 10 GLU CA C 10 56.774 55.521 1.253 1
1 24 . 13 1 1 A 10 10 GLU HA H 10 4.196 4.509 -0.313 1
1 25 . 13 1 1 A 10 10 GLU CB C 10 30.450 31.110 -0.660 1
1 31 . 13 1 1 A 10 10 GLU C C 10 176.312 176.125 0.187 1
1 32 . 13 1 1 A 11 11 LYS N N 11 121.676 124.566 -2.890 1
1 33 . 13 1 1 A 11 11 LYS H H 11 8.287 9.036 -0.749 1
1 34 . 13 1 1 A 11 11 LYS CA C 11 53.916 53.392 0.524 1
1 35 . 13 1 1 A 11 11 LYS HA H 11 4.497 4.657 -0.160 1
1 36 . 13 1 1 A 11 11 LYS CB C 11 32.952 32.790 0.162 1
1 48 . 13 1 1 A 11 11 LYS C C 11 174.005 176.313 -2.308 1
1 49 . 13 1 1 A 12 12 PRO CA C 12 63.420 64.558 -1.138 1
1 50 . 13 1 1 A 12 12 PRO HA H 12 4.272 4.257 0.015 1
1 51 . 13 1 1 A 12 12 PRO CB C 12 32.270 31.779 0.491 1
1 60 . 13 1 1 A 12 12 PRO C C 12 176.312 176.039 0.273 1
1 61 . 13 1 1 A 13 13 PHE N N 13 118.211 117.819 0.392 1
1 62 . 13 1 1 A 13 13 PHE H H 13 8.097 7.545 0.552 1
1 63 . 13 1 1 A 13 13 PHE CA C 13 57.267 56.666 0.601 1
1 64 . 13 1 1 A 13 13 PHE HA H 13 4.640 5.320 -0.680 1
1 65 . 13 1 1 A 13 13 PHE CB C 13 39.302 42.144 -2.842 1
1 78 . 13 1 1 A 13 13 PHE C C 13 174.594 174.238 0.356 1
1 79 . 13 1 1 A 14 14 GLU N N 14 124.060 123.614 0.446 1
1 80 . 13 1 1 A 14 14 GLU H H 14 8.568 9.102 -0.534 1
1 81 . 13 1 1 A 14 14 GLU CA C 14 55.291 54.935 0.356 1
1 82 . 13 1 1 A 14 14 GLU HA H 14 4.849 5.565 -0.716 1
1 83 . 13 1 1 A 14 14 GLU CB C 14 32.713 33.564 -0.851 1
1 89 . 13 1 1 A 14 14 GLU C C 14 175.419 174.958 0.461 1
1 90 . 13 1 1 A 15 15 CYS N N 15 126.818 125.687 1.131 1
1 91 . 13 1 1 A 15 15 CYS H H 15 9.101 8.972 0.129 1
1 92 . 13 1 1 A 15 15 CYS CA C 15 59.631 59.654 -0.023 1
1 93 . 13 1 1 A 15 15 CYS HA H 15 4.558 4.562 -0.004 1
1 94 . 13 1 1 A 15 15 CYS CB C 15 29.865 29.070 0.795 1
1 97 . 13 1 1 A 15 15 CYS C C 15 176.885 174.883 2.002 1
1 98 . 13 1 1 A 16 16 SER N N 16 112.930 118.871 -5.941 1
1 99 . 13 1 1 A 16 16 SER H H 16 9.124 8.864 0.260 1
1 100 . 13 1 1 A 16 16 SER CA C 16 60.826 59.396 1.430 1
1 101 . 13 1 1 A 16 16 SER HA H 16 4.356 4.729 -0.373 1
1 102 . 13 1 1 A 16 16 SER CB C 16 63.144 64.972 -1.828 1
1 105 . 13 1 1 A 16 16 SER C C 16 174.769 174.993 -0.224 1
1 106 . 13 1 1 A 17 17 GLU N N 17 123.223 121.100 2.123 1
1 107 . 13 1 1 A 17 17 GLU H H 17 8.865 8.336 0.529 1
1 108 . 13 1 1 A 17 17 GLU CA C 17 57.918 58.829 -0.911 1
1 109 . 13 1 1 A 17 17 GLU HA H 17 4.287 4.098 0.189 1
1 110 . 13 1 1 A 17 17 GLU CB C 17 29.917 30.049 -0.132 1
1 116 . 13 1 1 A 17 17 GLU C C 17 176.999 178.490 -1.491 1
1 117 . 13 1 1 A 18 18 CYS N N 18 116.163 115.433 0.730 1
1 118 . 13 1 1 A 18 18 CYS H H 18 7.875 7.867 0.008 1
1 119 . 13 1 1 A 18 18 CYS CA C 18 58.661 59.403 -0.742 1
1 120 . 13 1 1 A 18 18 CYS HA H 18 5.031 4.479 0.552 1
1 121 . 13 1 1 A 18 18 CYS CB C 18 31.745 29.181 2.564 1
1 124 . 13 1 1 A 18 18 CYS C C 18 174.845 174.871 -0.026 1
1 125 . 13 1 1 A 19 19 GLN N N 19 116.345 116.409 -0.064 1
1 126 . 13 1 1 A 19 19 GLN H H 19 8.133 7.981 0.152 1
1 127 . 13 1 1 A 19 19 GLN CA C 19 58.722 57.186 1.536 1
1 128 . 13 1 1 A 19 19 GLN HA H 19 4.117 4.295 -0.178 1
1 129 . 13 1 1 A 19 19 GLN CB C 19 26.290 26.371 -0.081 1
1 138 . 13 1 1 A 19 19 GLN C C 19 174.950 174.294 0.656 1
1 139 . 13 1 1 A 20 20 LYS N N 20 121.633 119.549 2.084 1
1 140 . 13 1 1 A 20 20 LYS H H 20 7.934 7.923 0.011 1
1 141 . 13 1 1 A 20 20 LYS CA C 20 57.862 55.901 1.961 1
1 142 . 13 1 1 A 20 20 LYS HA H 20 4.083 4.519 -0.436 1
1 143 . 13 1 1 A 20 20 LYS CB C 20 34.143 34.053 0.090 1
1 155 . 13 1 1 A 20 20 LYS C C 20 173.968 175.448 -1.480 1
1 156 . 13 1 1 A 21 21 ALA N N 21 123.578 126.093 -2.515 1
1 157 . 13 1 1 A 21 21 ALA H H 21 7.807 8.612 -0.805 1
1 158 . 13 1 1 A 21 21 ALA CA C 21 50.538 50.133 0.405 1
1 159 . 13 1 1 A 21 21 ALA HA H 21 5.067 5.309 -0.242 1
1 160 . 13 1 1 A 21 21 ALA CB C 21 22.260 20.892 1.368 1
1 164 . 13 1 1 A 21 21 ALA C C 21 176.143 176.282 -0.139 1
1 165 . 13 1 1 A 22 22 PHE N N 22 116.532 120.593 -4.061 1
1 166 . 13 1 1 A 22 22 PHE H H 22 8.637 9.229 -0.592 1
1 167 . 13 1 1 A 22 22 PHE CA C 22 57.465 57.111 0.354 1
1 168 . 13 1 1 A 22 22 PHE HA H 22 4.665 5.035 -0.370 1
1 169 . 13 1 1 A 22 22 PHE CB C 22 43.945 42.820 1.125 1
1 182 . 13 1 1 A 22 22 PHE C C 22 175.082 175.859 -0.777 1
1 183 . 13 1 1 A 23 23 ASN CA C 23 55.192 55.271 -0.079 1
1 184 . 13 1 1 A 23 23 ASN HA H 23 4.880 5.077 -0.197 1
1 185 . 13 1 1 A 23 23 ASN CB C 23 39.136 40.299 -1.163 1
1 191 . 13 1 1 A 23 23 ASN C C 23 175.375 175.502 -0.127 1
1 192 . 13 1 1 A 24 24 THR N N 24 120.293 111.557 8.736 1
1 193 . 13 1 1 A 24 24 THR H H 24 7.421 7.830 -0.409 1
1 194 . 13 1 1 A 24 24 THR CA C 24 58.831 59.196 -0.365 1
1 195 . 13 1 1 A 24 24 THR HA H 24 4.637 4.749 -0.112 1
1 196 . 13 1 1 A 24 24 THR CB C 24 72.609 71.660 0.949 1
1 202 . 13 1 1 A 24 24 THR C C 24 173.507 174.671 -1.164 1
1 203 . 13 1 1 A 25 25 LYS N N 25 124.488 122.660 1.828 1
1 204 . 13 1 1 A 25 25 LYS H H 25 8.175 7.990 0.185 1
1 205 . 13 1 1 A 25 25 LYS CA C 25 58.622 59.824 -1.202 1
1 206 . 13 1 1 A 25 25 LYS HA H 25 3.105 3.123 -0.018 1
1 207 . 13 1 1 A 25 25 LYS CB C 25 31.613 31.592 0.021 1
1 219 . 13 1 1 A 25 25 LYS C C 25 178.363 177.699 0.664 1
1 220 . 13 1 1 A 26 26 SER N N 26 112.511 114.662 -2.151 1
1 221 . 13 1 1 A 26 26 SER H H 26 8.248 8.177 0.071 1
1 222 . 13 1 1 A 26 26 SER CA C 26 61.540 61.197 0.343 1
1 223 . 13 1 1 A 26 26 SER HA H 26 3.962 4.064 -0.102 1
1 224 . 13 1 1 A 26 26 SER CB C 26 62.203 62.487 -0.284 1
1 227 . 13 1 1 A 26 26 SER C C 26 176.506 177.167 -0.661 1
1 228 . 13 1 1 A 27 27 ASN N N 27 118.519 120.410 -1.891 1
1 229 . 13 1 1 A 27 27 ASN H H 27 7.575 7.928 -0.353 1
1 230 . 13 1 1 A 27 27 ASN CA C 27 55.248 56.245 -0.997 1
1 231 . 13 1 1 A 27 27 ASN HA H 27 4.432 4.454 -0.022 1
1 232 . 13 1 1 A 27 27 ASN CB C 27 37.796 37.870 -0.074 1
1 238 . 13 1 1 A 27 27 ASN C C 27 177.845 177.647 0.198 1
1 239 . 13 1 1 A 28 28 LEU N N 28 123.404 120.704 2.700 1
1 240 . 13 1 1 A 28 28 LEU H H 28 7.347 7.451 -0.104 1
1 241 . 13 1 1 A 28 28 LEU CA C 28 58.281 57.826 0.455 1
1 242 . 13 1 1 A 28 28 LEU HA H 28 3.278 2.785 0.493 1
1 243 . 13 1 1 A 28 28 LEU CB C 28 40.486 41.443 -0.957 1
1 256 . 13 1 1 A 28 28 LEU C C 28 177.276 178.621 -1.345 1
1 257 . 13 1 1 A 29 29 ILE N N 29 120.611 120.237 0.374 1
1 258 . 13 1 1 A 29 29 ILE H H 29 8.285 8.365 -0.080 1
1 259 . 13 1 1 A 29 29 ILE CA C 29 65.036 65.328 -0.292 1
1 260 . 13 1 1 A 29 29 ILE HA H 29 3.727 3.533 0.194 1
1 261 . 13 1 1 A 29 29 ILE CB C 29 37.616 37.828 -0.212 1
1 274 . 13 1 1 A 29 29 ILE C C 29 179.149 178.068 1.081 1
1 275 . 13 1 1 A 30 30 VAL N N 30 119.090 120.010 -0.920 1
1 276 . 13 1 1 A 30 30 VAL H H 30 7.578 7.918 -0.340 1
1 277 . 13 1 1 A 30 30 VAL CA C 30 66.753 66.379 0.374 1
1 278 . 13 1 1 A 30 30 VAL HA H 30 3.469 3.642 -0.173 1
1 279 . 13 1 1 A 30 30 VAL CB C 30 31.959 31.361 0.598 1
1 289 . 13 1 1 A 30 30 VAL C C 30 179.079 178.387 0.692 1
1 290 . 13 1 1 A 31 31 HIS N N 31 119.088 119.332 -0.244 1
1 291 . 13 1 1 A 31 31 HIS H H 31 7.441 7.782 -0.341 1
1 292 . 13 1 1 A 31 31 HIS CA C 31 59.210 59.530 -0.320 1
1 293 . 13 1 1 A 31 31 HIS HA H 31 4.197 4.157 0.040 1
1 294 . 13 1 1 A 31 31 HIS CB C 31 28.110 29.837 -1.727 1
1 301 . 13 1 1 A 31 31 HIS C C 31 178.149 176.812 1.337 1
1 302 . 13 1 1 A 32 32 GLN N N 32 120.672 117.062 3.610 1
1 303 . 13 1 1 A 32 32 GLN H H 32 8.973 8.450 0.523 1
1 304 . 13 1 1 A 32 32 GLN CA C 32 59.954 59.172 0.782 1
1 305 . 13 1 1 A 32 32 GLN HA H 32 3.620 3.560 0.060 1
1 306 . 13 1 1 A 32 32 GLN CB C 32 28.132 28.225 -0.093 1
1 315 . 13 1 1 A 32 32 GLN C C 32 177.938 178.378 -0.440 1
1 316 . 13 1 1 A 33 33 ARG N N 33 117.768 119.595 -1.827 1
1 317 . 13 1 1 A 33 33 ARG H H 33 7.323 7.631 -0.308 1
1 318 . 13 1 1 A 33 33 ARG CA C 33 58.576 59.447 -0.871 1
1 319 . 13 1 1 A 33 33 ARG HA H 33 4.171 3.928 0.243 1
1 320 . 13 1 1 A 33 33 ARG CB C 33 30.016 29.746 0.270 1
1 329 . 13 1 1 A 33 33 ARG C C 33 178.202 178.932 -0.730 1
1 330 . 13 1 1 A 34 34 THR N N 34 109.590 112.472 -2.882 1
1 331 . 13 1 1 A 34 34 THR H H 34 7.812 8.415 -0.603 1
1 332 . 13 1 1 A 34 34 THR CA C 34 63.867 65.138 -1.271 1
1 333 . 13 1 1 A 34 34 THR HA H 34 4.113 4.081 0.032 1
1 334 . 13 1 1 A 34 34 THR CB C 34 69.435 68.077 1.358 1
1 340 . 13 1 1 A 34 34 THR C C 34 175.584 176.816 -1.232 1
1 341 . 13 1 1 A 35 35 HIS N N 35 118.698 119.913 -1.215 1
1 342 . 13 1 1 A 35 35 HIS H H 35 7.187 7.737 -0.550 1
1 343 . 13 1 1 A 35 35 HIS CA C 35 55.498 58.861 -3.363 1
1 344 . 13 1 1 A 35 35 HIS HA H 35 4.864 4.374 0.490 1
1 345 . 13 1 1 A 35 35 HIS CB C 35 28.676 29.985 -1.309 1
1 352 . 13 1 1 A 35 35 HIS C C 35 175.584 177.881 -2.297 1
1 353 . 13 1 1 A 36 36 THR N N 36 112.399 112.615 -0.216 1
1 354 . 13 1 1 A 36 36 THR H H 36 7.811 8.158 -0.347 1
1 355 . 13 1 1 A 36 36 THR CA C 36 62.362 65.307 -2.945 1
1 356 . 13 1 1 A 36 36 THR HA H 36 4.358 3.939 0.419 1
1 357 . 13 1 1 A 36 36 THR CB C 36 69.845 69.157 0.688 1
1 363 . 13 1 1 A 36 36 THR C C 36 175.377 174.734 0.643 1
1 364 . 13 1 1 A 37 37 GLY N N 37 111.020 109.667 1.353 1
1 365 . 13 1 1 A 37 37 GLY H H 37 8.446 8.479 -0.033 1
1 366 . 13 1 1 A 37 37 GLY CA C 37 45.083 47.169 -2.086 1
1 367 . 13 1 1 A 37 37 GLY HA2 H 37 3.985 3.886 0.099 1
1 368 . 13 1 1 A 37 37 GLY HA3 H 37 3.985 3.895 0.090 1
1 369 . 13 1 1 A 37 37 GLY C C 37 174.005 175.372 -1.367 1
1 370 . 13 1 1 A 38 38 GLU N N 38 120.659 117.677 2.982 1
1 371 . 13 1 1 A 38 38 GLU H H 38 8.132 8.113 0.019 1
1 372 . 13 1 1 A 38 38 GLU CA C 38 56.441 55.180 1.261 1
1 373 . 13 1 1 A 38 38 GLU HA H 38 4.240 4.599 -0.359 1
1 374 . 13 1 1 A 38 38 GLU CB C 38 30.497 30.186 0.311 1
1 380 . 13 1 1 A 38 38 GLU C C 38 176.239 175.402 0.837 1
1 381 . 13 1 1 A 39 39 LYS N N 39 123.933 121.390 2.543 1
1 382 . 13 1 1 A 39 39 LYS H H 39 8.428 7.413 1.015 1
1 383 . 13 1 1 A 39 39 LYS CA C 39 54.087 52.735 1.352 1
1 384 . 13 1 1 A 39 39 LYS HA H 39 4.601 4.834 -0.233 1
1 385 . 13 1 1 A 39 39 LYS CB C 39 32.513 33.639 -1.126 1
1 397 . 13 1 1 A 39 39 LYS C C 39 174.467 174.739 -0.272 1
1 398 . 13 1 1 A 40 40 PRO CA C 40 63.220 64.293 -1.073 1
1 399 . 13 1 1 A 40 40 PRO HA H 40 4.446 4.548 -0.102 1
1 400 . 13 1 1 A 40 40 PRO CB C 40 32.146 31.732 0.414 1
1 409 . 13 1 1 A 40 40 PRO C C 40 176.972 176.924 0.048 1
1 410 . 13 1 1 A 41 41 SER N N 41 116.493 112.682 3.811 1
1 411 . 13 1 1 A 41 41 SER H H 41 8.462 8.132 0.330 1
1 412 . 13 1 1 A 41 41 SER CA C 41 58.320 56.954 1.366 1
1 413 . 13 1 1 A 41 41 SER HA H 41 4.470 4.802 -0.332 1
1 414 . 13 1 1 A 41 41 SER CB C 41 64.163 63.646 0.517 1
1 417 . 13 1 1 A 41 41 SER C C 41 174.635 175.584 -0.949 1
1 418 . 13 1 1 A 42 42 GLY CA C 42 44.675 47.867 -3.192 1
1 419 . 13 1 1 A 42 42 GLY HA2 H 42 4.151 3.845 0.306 1
1 420 . 13 1 1 A 42 42 GLY HA3 H 42 4.095 3.846 0.249 1
1 421 . 13 1 1 A 43 43 PRO CA C 43 63.213 62.568 0.645 1
1 422 . 13 1 1 A 43 43 PRO HA H 43 4.476 4.496 -0.020 1
1 423 . 13 1 1 A 43 43 PRO CB C 43 32.217 32.127 0.090 1
1 432 . 13 1 1 A 45 45 SER CA C 45 58.359 60.062 -1.703 1
1 433 . 13 1 1 A 45 45 SER HA H 45 4.496 4.195 0.301 1
1 434 . 13 1 1 A 45 45 SER CB C 45 64.036 62.727 1.309 1
1 437 . 13 1 1 A 45 45 SER C C 45 173.895 175.701 -1.806 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.428 45.627 -0.199 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.049 4.055 -0.006 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.049 4.055 -0.006 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.518 173.812 0.706 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.808 116.839 -4.031 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.145 8.548 -0.403 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.842 62.537 -0.695 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.361 4.363 -0.002 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.802 68.423 1.379 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.285 175.259 0.026 1
1 16 . 14 1 1 A 9 9 GLY N N 9 110.918 114.644 -3.726 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.318 8.502 -0.184 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.316 46.091 -0.775 1
1 19 . 14 1 1 A 9 9 GLY HA2 H 9 3.961 4.045 -0.084 1
1 20 . 14 1 1 A 9 9 GLY HA3 H 9 3.961 4.047 -0.086 1
1 21 . 14 1 1 A 10 10 GLU N N 10 120.269 118.761 1.508 1
1 22 . 14 1 1 A 10 10 GLU H H 10 8.223 8.150 0.073 1
1 23 . 14 1 1 A 10 10 GLU CA C 10 56.774 56.364 0.410 1
1 24 . 14 1 1 A 10 10 GLU HA H 10 4.196 4.308 -0.112 1
1 25 . 14 1 1 A 10 10 GLU CB C 10 30.450 29.866 0.584 1
1 31 . 14 1 1 A 10 10 GLU C C 10 176.312 176.118 0.194 1
1 32 . 14 1 1 A 11 11 LYS N N 11 121.676 123.029 -1.353 1
1 33 . 14 1 1 A 11 11 LYS H H 11 8.287 8.487 -0.200 1
1 34 . 14 1 1 A 11 11 LYS CA C 11 53.916 55.027 -1.111 1
1 35 . 14 1 1 A 11 11 LYS HA H 11 4.497 4.244 0.253 1
1 36 . 14 1 1 A 11 11 LYS CB C 11 32.952 31.947 1.005 1
1 48 . 14 1 1 A 11 11 LYS C C 11 174.005 176.772 -2.767 1
1 49 . 14 1 1 A 12 12 PRO CA C 12 63.420 64.611 -1.191 1
1 50 . 14 1 1 A 12 12 PRO HA H 12 4.272 4.233 0.039 1
1 51 . 14 1 1 A 12 12 PRO CB C 12 32.270 31.681 0.589 1
1 60 . 14 1 1 A 12 12 PRO C C 12 176.312 176.152 0.160 1
1 61 . 14 1 1 A 13 13 PHE N N 13 118.211 117.781 0.430 1
1 62 . 14 1 1 A 13 13 PHE H H 13 8.097 7.713 0.384 1
1 63 . 14 1 1 A 13 13 PHE CA C 13 57.267 57.257 0.010 1
1 64 . 14 1 1 A 13 13 PHE HA H 13 4.640 5.200 -0.560 1
1 65 . 14 1 1 A 13 13 PHE CB C 13 39.302 41.461 -2.159 1
1 78 . 14 1 1 A 13 13 PHE C C 13 174.594 174.203 0.391 1
1 79 . 14 1 1 A 14 14 GLU N N 14 124.060 122.860 1.200 1
1 80 . 14 1 1 A 14 14 GLU H H 14 8.568 8.923 -0.355 1
1 81 . 14 1 1 A 14 14 GLU CA C 14 55.291 54.856 0.435 1
1 82 . 14 1 1 A 14 14 GLU HA H 14 4.849 5.517 -0.668 1
1 83 . 14 1 1 A 14 14 GLU CB C 14 32.713 33.523 -0.810 1
1 89 . 14 1 1 A 14 14 GLU C C 14 175.419 174.894 0.525 1
1 90 . 14 1 1 A 15 15 CYS N N 15 126.818 125.035 1.783 1
1 91 . 14 1 1 A 15 15 CYS H H 15 9.101 9.215 -0.114 1
1 92 . 14 1 1 A 15 15 CYS CA C 15 59.631 59.204 0.427 1
1 93 . 14 1 1 A 15 15 CYS HA H 15 4.558 4.759 -0.201 1
1 94 . 14 1 1 A 15 15 CYS CB C 15 29.865 28.939 0.926 1
1 97 . 14 1 1 A 15 15 CYS C C 15 176.885 174.925 1.960 1
1 98 . 14 1 1 A 16 16 SER N N 16 112.930 119.102 -6.172 1
1 99 . 14 1 1 A 16 16 SER H H 16 9.124 8.913 0.211 1
1 100 . 14 1 1 A 16 16 SER CA C 16 60.826 59.663 1.163 1
1 101 . 14 1 1 A 16 16 SER HA H 16 4.356 4.591 -0.235 1
1 102 . 14 1 1 A 16 16 SER CB C 16 63.144 64.435 -1.291 1
1 105 . 14 1 1 A 16 16 SER C C 16 174.769 175.215 -0.446 1
1 106 . 14 1 1 A 17 17 GLU N N 17 123.223 121.633 1.590 1
1 107 . 14 1 1 A 17 17 GLU H H 17 8.865 7.930 0.935 1
1 108 . 14 1 1 A 17 17 GLU CA C 17 57.918 58.849 -0.931 1
1 109 . 14 1 1 A 17 17 GLU HA H 17 4.287 4.002 0.285 1
1 110 . 14 1 1 A 17 17 GLU CB C 17 29.917 29.736 0.181 1
1 116 . 14 1 1 A 17 17 GLU C C 17 176.999 178.383 -1.384 1
1 117 . 14 1 1 A 18 18 CYS N N 18 116.163 115.224 0.939 1
1 118 . 14 1 1 A 18 18 CYS H H 18 7.875 7.678 0.197 1
1 119 . 14 1 1 A 18 18 CYS CA C 18 58.661 59.289 -0.628 1
1 120 . 14 1 1 A 18 18 CYS HA H 18 5.031 4.519 0.512 1
1 121 . 14 1 1 A 18 18 CYS CB C 18 31.745 29.203 2.542 1
1 124 . 14 1 1 A 18 18 CYS C C 18 174.845 174.747 0.098 1
1 125 . 14 1 1 A 19 19 GLN N N 19 116.345 116.441 -0.096 1
1 126 . 14 1 1 A 19 19 GLN H H 19 8.133 7.948 0.185 1
1 127 . 14 1 1 A 19 19 GLN CA C 19 58.722 57.108 1.614 1
1 128 . 14 1 1 A 19 19 GLN HA H 19 4.117 4.260 -0.143 1
1 129 . 14 1 1 A 19 19 GLN CB C 19 26.290 26.278 0.012 1
1 138 . 14 1 1 A 19 19 GLN C C 19 174.950 174.284 0.666 1
1 139 . 14 1 1 A 20 20 LYS N N 20 121.633 119.715 1.918 1
1 140 . 14 1 1 A 20 20 LYS H H 20 7.934 7.898 0.036 1
1 141 . 14 1 1 A 20 20 LYS CA C 20 57.862 56.075 1.787 1
1 142 . 14 1 1 A 20 20 LYS HA H 20 4.083 4.462 -0.379 1
1 143 . 14 1 1 A 20 20 LYS CB C 20 34.143 33.882 0.261 1
1 155 . 14 1 1 A 20 20 LYS C C 20 173.968 175.717 -1.749 1
1 156 . 14 1 1 A 21 21 ALA N N 21 123.578 127.592 -4.014 1
1 157 . 14 1 1 A 21 21 ALA H H 21 7.807 8.582 -0.775 1
1 158 . 14 1 1 A 21 21 ALA CA C 21 50.538 50.438 0.100 1
1 159 . 14 1 1 A 21 21 ALA HA H 21 5.067 5.343 -0.276 1
1 160 . 14 1 1 A 21 21 ALA CB C 21 22.260 20.936 1.324 1
1 164 . 14 1 1 A 21 21 ALA C C 21 176.143 176.654 -0.511 1
1 165 . 14 1 1 A 22 22 PHE N N 22 116.532 119.222 -2.690 1
1 166 . 14 1 1 A 22 22 PHE H H 22 8.637 8.847 -0.210 1
1 167 . 14 1 1 A 22 22 PHE CA C 22 57.465 56.860 0.605 1
1 168 . 14 1 1 A 22 22 PHE HA H 22 4.665 4.936 -0.271 1
1 169 . 14 1 1 A 22 22 PHE CB C 22 43.945 43.227 0.718 1
1 182 . 14 1 1 A 22 22 PHE C C 22 175.082 175.819 -0.737 1
1 183 . 14 1 1 A 23 23 ASN CA C 23 55.192 55.552 -0.360 1
1 184 . 14 1 1 A 23 23 ASN HA H 23 4.880 4.943 -0.063 1
1 185 . 14 1 1 A 23 23 ASN CB C 23 39.136 40.352 -1.216 1
1 191 . 14 1 1 A 23 23 ASN C C 23 175.375 175.588 -0.213 1
1 192 . 14 1 1 A 24 24 THR N N 24 120.293 111.692 8.601 1
1 193 . 14 1 1 A 24 24 THR H H 24 7.421 7.839 -0.418 1
1 194 . 14 1 1 A 24 24 THR CA C 24 58.831 59.009 -0.178 1
1 195 . 14 1 1 A 24 24 THR HA H 24 4.637 4.758 -0.121 1
1 196 . 14 1 1 A 24 24 THR CB C 24 72.609 71.554 1.055 1
1 202 . 14 1 1 A 24 24 THR C C 24 173.507 174.835 -1.328 1
1 203 . 14 1 1 A 25 25 LYS N N 25 124.488 122.821 1.667 1
1 204 . 14 1 1 A 25 25 LYS H H 25 8.175 8.541 -0.366 1
1 205 . 14 1 1 A 25 25 LYS CA C 25 58.622 59.859 -1.237 1
1 206 . 14 1 1 A 25 25 LYS HA H 25 3.105 3.050 0.055 1
1 207 . 14 1 1 A 25 25 LYS CB C 25 31.613 31.396 0.217 1
1 219 . 14 1 1 A 25 25 LYS C C 25 178.363 177.998 0.365 1
1 220 . 14 1 1 A 26 26 SER N N 26 112.511 116.876 -4.365 1
1 221 . 14 1 1 A 26 26 SER H H 26 8.248 7.958 0.290 1
1 222 . 14 1 1 A 26 26 SER CA C 26 61.540 62.068 -0.528 1
1 223 . 14 1 1 A 26 26 SER HA H 26 3.962 3.982 -0.020 1
1 224 . 14 1 1 A 26 26 SER CB C 26 62.203 62.767 -0.564 1
1 227 . 14 1 1 A 26 26 SER C C 26 176.506 176.629 -0.123 1
1 228 . 14 1 1 A 27 27 ASN N N 27 118.519 120.737 -2.218 1
1 229 . 14 1 1 A 27 27 ASN H H 27 7.575 7.607 -0.032 1
1 230 . 14 1 1 A 27 27 ASN CA C 27 55.248 56.259 -1.011 1
1 231 . 14 1 1 A 27 27 ASN HA H 27 4.432 4.441 -0.009 1
1 232 . 14 1 1 A 27 27 ASN CB C 27 37.796 38.151 -0.355 1
1 238 . 14 1 1 A 27 27 ASN C C 27 177.845 177.627 0.218 1
1 239 . 14 1 1 A 28 28 LEU N N 28 123.404 120.599 2.805 1
1 240 . 14 1 1 A 28 28 LEU H H 28 7.347 7.274 0.073 1
1 241 . 14 1 1 A 28 28 LEU CA C 28 58.281 57.751 0.530 1
1 242 . 14 1 1 A 28 28 LEU HA H 28 3.278 2.737 0.541 1
1 243 . 14 1 1 A 28 28 LEU CB C 28 40.486 41.517 -1.031 1
1 256 . 14 1 1 A 28 28 LEU C C 28 177.276 178.629 -1.353 1
1 257 . 14 1 1 A 29 29 ILE N N 29 120.611 120.032 0.579 1
1 258 . 14 1 1 A 29 29 ILE H H 29 8.285 8.362 -0.077 1
1 259 . 14 1 1 A 29 29 ILE CA C 29 65.036 65.276 -0.240 1
1 260 . 14 1 1 A 29 29 ILE HA H 29 3.727 3.530 0.197 1
1 261 . 14 1 1 A 29 29 ILE CB C 29 37.616 37.809 -0.193 1
1 274 . 14 1 1 A 29 29 ILE C C 29 179.149 178.349 0.800 1
1 275 . 14 1 1 A 30 30 VAL N N 30 119.090 120.013 -0.923 1
1 276 . 14 1 1 A 30 30 VAL H H 30 7.578 7.858 -0.280 1
1 277 . 14 1 1 A 30 30 VAL CA C 30 66.753 66.230 0.523 1
1 278 . 14 1 1 A 30 30 VAL HA H 30 3.469 3.540 -0.071 1
1 279 . 14 1 1 A 30 30 VAL CB C 30 31.959 31.360 0.599 1
1 289 . 14 1 1 A 30 30 VAL C C 30 179.079 178.527 0.552 1
1 290 . 14 1 1 A 31 31 HIS N N 31 119.088 119.568 -0.480 1
1 291 . 14 1 1 A 31 31 HIS H H 31 7.441 7.921 -0.480 1
1 292 . 14 1 1 A 31 31 HIS CA C 31 59.210 59.600 -0.390 1
1 293 . 14 1 1 A 31 31 HIS HA H 31 4.197 4.181 0.016 1
1 294 . 14 1 1 A 31 31 HIS CB C 31 28.110 29.678 -1.568 1
1 301 . 14 1 1 A 31 31 HIS C C 31 178.149 176.623 1.526 1
1 302 . 14 1 1 A 32 32 GLN N N 32 120.672 117.300 3.372 1
1 303 . 14 1 1 A 32 32 GLN H H 32 8.973 8.576 0.397 1
1 304 . 14 1 1 A 32 32 GLN CA C 32 59.954 59.271 0.683 1
1 305 . 14 1 1 A 32 32 GLN HA H 32 3.620 3.809 -0.189 1
1 306 . 14 1 1 A 32 32 GLN CB C 32 28.132 28.217 -0.085 1
1 315 . 14 1 1 A 32 32 GLN C C 32 177.938 178.686 -0.748 1
1 316 . 14 1 1 A 33 33 ARG N N 33 117.768 119.330 -1.562 1
1 317 . 14 1 1 A 33 33 ARG H H 33 7.323 7.729 -0.406 1
1 318 . 14 1 1 A 33 33 ARG CA C 33 58.576 59.261 -0.685 1
1 319 . 14 1 1 A 33 33 ARG HA H 33 4.171 4.028 0.143 1
1 320 . 14 1 1 A 33 33 ARG CB C 33 30.016 30.045 -0.029 1
1 329 . 14 1 1 A 33 33 ARG C C 33 178.202 178.240 -0.038 1
1 330 . 14 1 1 A 34 34 THR N N 34 109.590 112.587 -2.997 1
1 331 . 14 1 1 A 34 34 THR H H 34 7.812 8.405 -0.593 1
1 332 . 14 1 1 A 34 34 THR CA C 34 63.867 65.309 -1.442 1
1 333 . 14 1 1 A 34 34 THR HA H 34 4.113 3.984 0.129 1
1 334 . 14 1 1 A 34 34 THR CB C 34 69.435 67.948 1.487 1
1 340 . 14 1 1 A 34 34 THR C C 34 175.584 176.900 -1.316 1
1 341 . 14 1 1 A 35 35 HIS N N 35 118.698 119.385 -0.687 1
1 342 . 14 1 1 A 35 35 HIS H H 35 7.187 8.129 -0.942 1
1 343 . 14 1 1 A 35 35 HIS CA C 35 55.498 58.627 -3.129 1
1 344 . 14 1 1 A 35 35 HIS HA H 35 4.864 4.322 0.542 1
1 345 . 14 1 1 A 35 35 HIS CB C 35 28.676 30.003 -1.327 1
1 352 . 14 1 1 A 35 35 HIS C C 35 175.584 175.874 -0.290 1
1 353 . 14 1 1 A 36 36 THR N N 36 112.399 109.888 2.511 1
1 354 . 14 1 1 A 36 36 THR H H 36 7.811 7.220 0.591 1
1 355 . 14 1 1 A 36 36 THR CA C 36 62.362 63.336 -0.974 1
1 356 . 14 1 1 A 36 36 THR HA H 36 4.358 4.142 0.216 1
1 357 . 14 1 1 A 36 36 THR CB C 36 69.845 68.416 1.429 1
1 363 . 14 1 1 A 36 36 THR C C 36 175.377 174.228 1.149 1
1 364 . 14 1 1 A 37 37 GLY N N 37 111.020 110.861 0.159 1
1 365 . 14 1 1 A 37 37 GLY H H 37 8.446 8.194 0.252 1
1 366 . 14 1 1 A 37 37 GLY CA C 37 45.083 46.190 -1.107 1
1 367 . 14 1 1 A 37 37 GLY HA2 H 37 3.985 4.197 -0.212 1
1 368 . 14 1 1 A 37 37 GLY HA3 H 37 3.985 4.198 -0.213 1
1 369 . 14 1 1 A 37 37 GLY C C 37 174.005 172.548 1.457 1
1 370 . 14 1 1 A 38 38 GLU N N 38 120.659 123.456 -2.797 1
1 371 . 14 1 1 A 38 38 GLU H H 38 8.132 8.394 -0.262 1
1 372 . 14 1 1 A 38 38 GLU CA C 38 56.441 56.035 0.406 1
1 373 . 14 1 1 A 38 38 GLU HA H 38 4.240 4.615 -0.375 1
1 374 . 14 1 1 A 38 38 GLU CB C 38 30.497 30.358 0.139 1
1 380 . 14 1 1 A 38 38 GLU C C 38 176.239 175.287 0.952 1
1 381 . 14 1 1 A 39 39 LYS N N 39 123.933 125.794 -1.861 1
1 382 . 14 1 1 A 39 39 LYS H H 39 8.428 8.471 -0.043 1
1 383 . 14 1 1 A 39 39 LYS CA C 39 54.087 52.837 1.250 1
1 384 . 14 1 1 A 39 39 LYS HA H 39 4.601 4.687 -0.086 1
1 385 . 14 1 1 A 39 39 LYS CB C 39 32.513 35.028 -2.515 1
1 397 . 14 1 1 A 39 39 LYS C C 39 174.467 175.222 -0.755 1
1 398 . 14 1 1 A 40 40 PRO CA C 40 63.220 64.685 -1.465 1
1 399 . 14 1 1 A 40 40 PRO HA H 40 4.446 4.489 -0.043 1
1 400 . 14 1 1 A 40 40 PRO CB C 40 32.146 32.103 0.043 1
1 409 . 14 1 1 A 40 40 PRO C C 40 176.972 176.501 0.471 1
1 410 . 14 1 1 A 41 41 SER N N 41 116.493 111.452 5.041 1
1 411 . 14 1 1 A 41 41 SER H H 41 8.462 7.501 0.961 1
1 412 . 14 1 1 A 41 41 SER CA C 41 58.320 57.227 1.093 1
1 413 . 14 1 1 A 41 41 SER HA H 41 4.470 4.681 -0.211 1
1 414 . 14 1 1 A 41 41 SER CB C 41 64.163 65.762 -1.599 1
1 417 . 14 1 1 A 41 41 SER C C 41 174.635 172.839 1.796 1
1 418 . 14 1 1 A 42 42 GLY CA C 42 44.675 45.277 -0.602 1
1 419 . 14 1 1 A 42 42 GLY HA2 H 42 4.151 4.195 -0.044 1
1 420 . 14 1 1 A 42 42 GLY HA3 H 42 4.095 4.197 -0.102 1
1 421 . 14 1 1 A 43 43 PRO CA C 43 63.213 65.053 -1.840 1
1 422 . 14 1 1 A 43 43 PRO HA H 43 4.476 4.311 0.165 1
1 423 . 14 1 1 A 43 43 PRO CB C 43 32.217 31.743 0.474 1
1 432 . 14 1 1 A 45 45 SER CA C 45 58.359 59.238 -0.879 1
1 433 . 14 1 1 A 45 45 SER HA H 45 4.496 4.378 0.118 1
1 434 . 14 1 1 A 45 45 SER CB C 45 64.036 63.391 0.645 1
1 437 . 14 1 1 A 45 45 SER C C 45 173.895 175.094 -1.199 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.428 47.117 -1.689 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.049 3.670 0.379 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.049 3.671 0.378 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.518 174.962 -0.444 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.808 115.307 -2.499 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.145 7.803 0.342 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.842 62.927 -1.085 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.361 4.107 0.254 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.802 69.150 0.652 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.285 174.485 0.800 1
1 16 . 15 1 1 A 9 9 GLY N N 9 110.918 114.716 -3.798 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.318 8.441 -0.123 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.316 45.366 -0.050 1
1 19 . 15 1 1 A 9 9 GLY HA2 H 9 3.961 4.126 -0.165 1
1 20 . 15 1 1 A 9 9 GLY HA3 H 9 3.961 4.130 -0.169 1
1 21 . 15 1 1 A 10 10 GLU N N 10 120.269 117.440 2.829 1
1 22 . 15 1 1 A 10 10 GLU H H 10 8.223 8.370 -0.147 1
1 23 . 15 1 1 A 10 10 GLU CA C 10 56.774 56.633 0.141 1
1 24 . 15 1 1 A 10 10 GLU HA H 10 4.196 4.332 -0.136 1
1 25 . 15 1 1 A 10 10 GLU CB C 10 30.450 29.986 0.464 1
1 31 . 15 1 1 A 10 10 GLU C C 10 176.312 176.903 -0.591 1
1 32 . 15 1 1 A 11 11 LYS N N 11 121.676 120.983 0.693 1
1 33 . 15 1 1 A 11 11 LYS H H 11 8.287 7.337 0.950 1
1 34 . 15 1 1 A 11 11 LYS CA C 11 53.916 54.882 -0.966 1
1 35 . 15 1 1 A 11 11 LYS HA H 11 4.497 4.414 0.083 1
1 36 . 15 1 1 A 11 11 LYS CB C 11 32.952 31.925 1.027 1
1 48 . 15 1 1 A 11 11 LYS C C 11 174.005 176.477 -2.472 1
1 49 . 15 1 1 A 12 12 PRO CA C 12 63.420 64.514 -1.094 1
1 50 . 15 1 1 A 12 12 PRO HA H 12 4.272 4.274 -0.002 1
1 51 . 15 1 1 A 12 12 PRO CB C 12 32.270 31.705 0.565 1
1 60 . 15 1 1 A 12 12 PRO C C 12 176.312 176.008 0.304 1
1 61 . 15 1 1 A 13 13 PHE N N 13 118.211 117.909 0.302 1
1 62 . 15 1 1 A 13 13 PHE H H 13 8.097 7.605 0.492 1
1 63 . 15 1 1 A 13 13 PHE CA C 13 57.267 56.813 0.454 1
1 64 . 15 1 1 A 13 13 PHE HA H 13 4.640 5.307 -0.667 1
1 65 . 15 1 1 A 13 13 PHE CB C 13 39.302 42.081 -2.779 1
1 78 . 15 1 1 A 13 13 PHE C C 13 174.594 174.262 0.332 1
1 79 . 15 1 1 A 14 14 GLU N N 14 124.060 123.217 0.843 1
1 80 . 15 1 1 A 14 14 GLU H H 14 8.568 8.960 -0.392 1
1 81 . 15 1 1 A 14 14 GLU CA C 14 55.291 55.109 0.182 1
1 82 . 15 1 1 A 14 14 GLU HA H 14 4.849 5.424 -0.575 1
1 83 . 15 1 1 A 14 14 GLU CB C 14 32.713 33.458 -0.745 1
1 89 . 15 1 1 A 14 14 GLU C C 14 175.419 174.837 0.582 1
1 90 . 15 1 1 A 15 15 CYS N N 15 126.818 125.181 1.637 1
1 91 . 15 1 1 A 15 15 CYS H H 15 9.101 9.506 -0.405 1
1 92 . 15 1 1 A 15 15 CYS CA C 15 59.631 59.230 0.401 1
1 93 . 15 1 1 A 15 15 CYS HA H 15 4.558 4.663 -0.105 1
1 94 . 15 1 1 A 15 15 CYS CB C 15 29.865 28.845 1.020 1
1 97 . 15 1 1 A 15 15 CYS C C 15 176.885 174.602 2.283 1
1 98 . 15 1 1 A 16 16 SER N N 16 112.930 119.668 -6.738 1
1 99 . 15 1 1 A 16 16 SER H H 16 9.124 8.875 0.249 1
1 100 . 15 1 1 A 16 16 SER CA C 16 60.826 58.892 1.934 1
1 101 . 15 1 1 A 16 16 SER HA H 16 4.356 4.716 -0.360 1
1 102 . 15 1 1 A 16 16 SER CB C 16 63.144 65.512 -2.368 1
1 105 . 15 1 1 A 16 16 SER C C 16 174.769 175.885 -1.116 1
1 106 . 15 1 1 A 17 17 GLU N N 17 123.223 120.410 2.813 1
1 107 . 15 1 1 A 17 17 GLU H H 17 8.865 8.063 0.802 1
1 108 . 15 1 1 A 17 17 GLU CA C 17 57.918 58.541 -0.623 1
1 109 . 15 1 1 A 17 17 GLU HA H 17 4.287 4.191 0.096 1
1 110 . 15 1 1 A 17 17 GLU CB C 17 29.917 30.112 -0.195 1
1 116 . 15 1 1 A 17 17 GLU C C 17 176.999 178.389 -1.390 1
1 117 . 15 1 1 A 18 18 CYS N N 18 116.163 115.264 0.899 1
1 118 . 15 1 1 A 18 18 CYS H H 18 7.875 7.573 0.302 1
1 119 . 15 1 1 A 18 18 CYS CA C 18 58.661 59.134 -0.473 1
1 120 . 15 1 1 A 18 18 CYS HA H 18 5.031 4.477 0.554 1
1 121 . 15 1 1 A 18 18 CYS CB C 18 31.745 28.721 3.024 1
1 124 . 15 1 1 A 18 18 CYS C C 18 174.845 174.637 0.208 1
1 125 . 15 1 1 A 19 19 GLN N N 19 116.345 116.367 -0.022 1
1 126 . 15 1 1 A 19 19 GLN H H 19 8.133 7.945 0.188 1
1 127 . 15 1 1 A 19 19 GLN CA C 19 58.722 56.956 1.766 1
1 128 . 15 1 1 A 19 19 GLN HA H 19 4.117 3.881 0.236 1
1 129 . 15 1 1 A 19 19 GLN CB C 19 26.290 26.392 -0.102 1
1 138 . 15 1 1 A 19 19 GLN C C 19 174.950 174.324 0.626 1
1 139 . 15 1 1 A 20 20 LYS N N 20 121.633 119.731 1.902 1
1 140 . 15 1 1 A 20 20 LYS H H 20 7.934 7.976 -0.042 1
1 141 . 15 1 1 A 20 20 LYS CA C 20 57.862 56.215 1.647 1
1 142 . 15 1 1 A 20 20 LYS HA H 20 4.083 4.286 -0.203 1
1 143 . 15 1 1 A 20 20 LYS CB C 20 34.143 33.821 0.322 1
1 155 . 15 1 1 A 20 20 LYS C C 20 173.968 175.525 -1.557 1
1 156 . 15 1 1 A 21 21 ALA N N 21 123.578 126.476 -2.898 1
1 157 . 15 1 1 A 21 21 ALA H H 21 7.807 8.357 -0.550 1
1 158 . 15 1 1 A 21 21 ALA CA C 21 50.538 51.199 -0.661 1
1 159 . 15 1 1 A 21 21 ALA HA H 21 5.067 5.004 0.063 1
1 160 . 15 1 1 A 21 21 ALA CB C 21 22.260 20.752 1.508 1
1 164 . 15 1 1 A 21 21 ALA C C 21 176.143 176.705 -0.562 1
1 165 . 15 1 1 A 22 22 PHE N N 22 116.532 117.930 -1.398 1
1 166 . 15 1 1 A 22 22 PHE H H 22 8.637 8.901 -0.264 1
1 167 . 15 1 1 A 22 22 PHE CA C 22 57.465 56.844 0.621 1
1 168 . 15 1 1 A 22 22 PHE HA H 22 4.665 5.066 -0.401 1
1 169 . 15 1 1 A 22 22 PHE CB C 22 43.945 44.170 -0.225 1
1 182 . 15 1 1 A 22 22 PHE C C 22 175.082 175.628 -0.546 1
1 183 . 15 1 1 A 23 23 ASN CA C 23 55.192 54.596 0.596 1
1 184 . 15 1 1 A 23 23 ASN HA H 23 4.880 5.081 -0.201 1
1 185 . 15 1 1 A 23 23 ASN CB C 23 39.136 40.886 -1.750 1
1 191 . 15 1 1 A 23 23 ASN C C 23 175.375 175.384 -0.009 1
1 192 . 15 1 1 A 24 24 THR N N 24 120.293 108.562 11.731 1
1 193 . 15 1 1 A 24 24 THR H H 24 7.421 7.689 -0.268 1
1 194 . 15 1 1 A 24 24 THR CA C 24 58.831 58.900 -0.069 1
1 195 . 15 1 1 A 24 24 THR HA H 24 4.637 4.457 0.180 1
1 196 . 15 1 1 A 24 24 THR CB C 24 72.609 71.635 0.974 1
1 202 . 15 1 1 A 24 24 THR C C 24 173.507 174.351 -0.844 1
1 203 . 15 1 1 A 25 25 LYS N N 25 124.488 122.450 2.038 1
1 204 . 15 1 1 A 25 25 LYS H H 25 8.175 8.070 0.105 1
1 205 . 15 1 1 A 25 25 LYS CA C 25 58.622 59.399 -0.777 1
1 206 . 15 1 1 A 25 25 LYS HA H 25 3.105 3.260 -0.155 1
1 207 . 15 1 1 A 25 25 LYS CB C 25 31.613 32.082 -0.469 1
1 219 . 15 1 1 A 25 25 LYS C C 25 178.363 178.104 0.259 1
1 220 . 15 1 1 A 26 26 SER N N 26 112.511 115.867 -3.356 1
1 221 . 15 1 1 A 26 26 SER H H 26 8.248 8.047 0.201 1
1 222 . 15 1 1 A 26 26 SER CA C 26 61.540 61.998 -0.458 1
1 223 . 15 1 1 A 26 26 SER HA H 26 3.962 4.035 -0.073 1
1 224 . 15 1 1 A 26 26 SER CB C 26 62.203 62.815 -0.612 1
1 227 . 15 1 1 A 26 26 SER C C 26 176.506 176.521 -0.015 1
1 228 . 15 1 1 A 27 27 ASN N N 27 118.519 120.372 -1.853 1
1 229 . 15 1 1 A 27 27 ASN H H 27 7.575 8.018 -0.443 1
1 230 . 15 1 1 A 27 27 ASN CA C 27 55.248 56.296 -1.048 1
1 231 . 15 1 1 A 27 27 ASN HA H 27 4.432 4.376 0.056 1
1 232 . 15 1 1 A 27 27 ASN CB C 27 37.796 38.305 -0.509 1
1 238 . 15 1 1 A 27 27 ASN C C 27 177.845 177.604 0.241 1
1 239 . 15 1 1 A 28 28 LEU N N 28 123.404 120.658 2.746 1
1 240 . 15 1 1 A 28 28 LEU H H 28 7.347 7.377 -0.030 1
1 241 . 15 1 1 A 28 28 LEU CA C 28 58.281 57.716 0.565 1
1 242 . 15 1 1 A 28 28 LEU HA H 28 3.278 2.855 0.423 1
1 243 . 15 1 1 A 28 28 LEU CB C 28 40.486 40.991 -0.505 1
1 256 . 15 1 1 A 28 28 LEU C C 28 177.276 178.379 -1.103 1
1 257 . 15 1 1 A 29 29 ILE N N 29 120.611 120.039 0.572 1
1 258 . 15 1 1 A 29 29 ILE H H 29 8.285 8.349 -0.064 1
1 259 . 15 1 1 A 29 29 ILE CA C 29 65.036 65.342 -0.306 1
1 260 . 15 1 1 A 29 29 ILE HA H 29 3.727 3.587 0.140 1
1 261 . 15 1 1 A 29 29 ILE CB C 29 37.616 37.902 -0.286 1
1 274 . 15 1 1 A 29 29 ILE C C 29 179.149 177.906 1.243 1
1 275 . 15 1 1 A 30 30 VAL N N 30 119.090 120.140 -1.050 1
1 276 . 15 1 1 A 30 30 VAL H H 30 7.578 7.919 -0.341 1
1 277 . 15 1 1 A 30 30 VAL CA C 30 66.753 66.065 0.688 1
1 278 . 15 1 1 A 30 30 VAL HA H 30 3.469 3.679 -0.210 1
1 279 . 15 1 1 A 30 30 VAL CB C 30 31.959 31.562 0.397 1
1 289 . 15 1 1 A 30 30 VAL C C 30 179.079 177.027 2.052 1
1 290 . 15 1 1 A 31 31 HIS N N 31 119.088 121.143 -2.055 1
1 291 . 15 1 1 A 31 31 HIS H H 31 7.441 7.861 -0.420 1
1 292 . 15 1 1 A 31 31 HIS CA C 31 59.210 58.105 1.105 1
1 293 . 15 1 1 A 31 31 HIS HA H 31 4.197 4.286 -0.089 1
1 294 . 15 1 1 A 31 31 HIS CB C 31 28.110 30.442 -2.332 1
1 301 . 15 1 1 A 31 31 HIS C C 31 178.149 177.167 0.982 1
1 302 . 15 1 1 A 32 32 GLN N N 32 120.672 118.643 2.029 1
1 303 . 15 1 1 A 32 32 GLN H H 32 8.973 7.919 1.054 1
1 304 . 15 1 1 A 32 32 GLN CA C 32 59.954 58.205 1.749 1
1 305 . 15 1 1 A 32 32 GLN HA H 32 3.620 4.188 -0.568 1
1 306 . 15 1 1 A 32 32 GLN CB C 32 28.132 28.735 -0.603 1
1 315 . 15 1 1 A 32 32 GLN C C 32 177.938 178.658 -0.720 1
1 316 . 15 1 1 A 33 33 ARG N N 33 117.768 119.158 -1.390 1
1 317 . 15 1 1 A 33 33 ARG H H 33 7.323 8.284 -0.961 1
1 318 . 15 1 1 A 33 33 ARG CA C 33 58.576 58.397 0.179 1
1 319 . 15 1 1 A 33 33 ARG HA H 33 4.171 4.103 0.068 1
1 320 . 15 1 1 A 33 33 ARG CB C 33 30.016 30.319 -0.303 1
1 329 . 15 1 1 A 33 33 ARG C C 33 178.202 178.315 -0.113 1
1 330 . 15 1 1 A 34 34 THR N N 34 109.590 113.875 -4.285 1
1 331 . 15 1 1 A 34 34 THR H H 34 7.812 8.043 -0.231 1
1 332 . 15 1 1 A 34 34 THR CA C 34 63.867 64.338 -0.471 1
1 333 . 15 1 1 A 34 34 THR HA H 34 4.113 3.978 0.135 1
1 334 . 15 1 1 A 34 34 THR CB C 34 69.435 68.718 0.717 1
1 340 . 15 1 1 A 34 34 THR C C 34 175.584 175.527 0.057 1
1 341 . 15 1 1 A 35 35 HIS N N 35 118.698 118.128 0.570 1
1 342 . 15 1 1 A 35 35 HIS H H 35 7.187 7.780 -0.593 1
1 343 . 15 1 1 A 35 35 HIS CA C 35 55.498 54.346 1.152 1
1 344 . 15 1 1 A 35 35 HIS HA H 35 4.864 4.670 0.194 1
1 345 . 15 1 1 A 35 35 HIS CB C 35 28.676 27.097 1.579 1
1 352 . 15 1 1 A 35 35 HIS C C 35 175.584 175.467 0.117 1
1 353 . 15 1 1 A 36 36 THR N N 36 112.399 111.392 1.007 1
1 354 . 15 1 1 A 36 36 THR H H 36 7.811 8.029 -0.218 1
1 355 . 15 1 1 A 36 36 THR CA C 36 62.362 61.088 1.274 1
1 356 . 15 1 1 A 36 36 THR HA H 36 4.358 4.576 -0.218 1
1 357 . 15 1 1 A 36 36 THR CB C 36 69.845 69.121 0.724 1
1 363 . 15 1 1 A 36 36 THR C C 36 175.377 174.586 0.791 1
1 364 . 15 1 1 A 37 37 GLY N N 37 111.020 109.568 1.452 1
1 365 . 15 1 1 A 37 37 GLY H H 37 8.446 7.908 0.538 1
1 366 . 15 1 1 A 37 37 GLY CA C 37 45.083 46.754 -1.671 1
1 367 . 15 1 1 A 37 37 GLY HA2 H 37 3.985 3.929 0.056 1
1 368 . 15 1 1 A 37 37 GLY HA3 H 37 3.985 3.942 0.043 1
1 369 . 15 1 1 A 37 37 GLY C C 37 174.005 174.532 -0.527 1
1 370 . 15 1 1 A 38 38 GLU N N 38 120.659 120.998 -0.339 1
1 371 . 15 1 1 A 38 38 GLU H H 38 8.132 7.812 0.320 1
1 372 . 15 1 1 A 38 38 GLU CA C 38 56.441 55.214 1.227 1
1 373 . 15 1 1 A 38 38 GLU HA H 38 4.240 4.491 -0.251 1
1 374 . 15 1 1 A 38 38 GLU CB C 38 30.497 29.000 1.497 1
1 380 . 15 1 1 A 38 38 GLU C C 38 176.239 175.098 1.141 1
1 381 . 15 1 1 A 39 39 LYS N N 39 123.933 126.142 -2.209 1
1 382 . 15 1 1 A 39 39 LYS H H 39 8.428 8.480 -0.052 1
1 383 . 15 1 1 A 39 39 LYS CA C 39 54.087 53.758 0.329 1
1 384 . 15 1 1 A 39 39 LYS HA H 39 4.601 4.593 0.008 1
1 385 . 15 1 1 A 39 39 LYS CB C 39 32.513 32.477 0.036 1
1 397 . 15 1 1 A 39 39 LYS C C 39 174.467 174.610 -0.143 1
1 398 . 15 1 1 A 40 40 PRO CA C 40 63.220 63.587 -0.367 1
1 399 . 15 1 1 A 40 40 PRO HA H 40 4.446 4.339 0.107 1
1 400 . 15 1 1 A 40 40 PRO CB C 40 32.146 31.748 0.398 1
1 409 . 15 1 1 A 40 40 PRO C C 40 176.972 177.416 -0.444 1
1 410 . 15 1 1 A 41 41 SER N N 41 116.493 117.783 -1.290 1
1 411 . 15 1 1 A 41 41 SER H H 41 8.462 8.909 -0.447 1
1 412 . 15 1 1 A 41 41 SER CA C 41 58.320 59.338 -1.018 1
1 413 . 15 1 1 A 41 41 SER HA H 41 4.470 4.087 0.383 1
1 414 . 15 1 1 A 41 41 SER CB C 41 64.163 61.722 2.441 1
1 417 . 15 1 1 A 41 41 SER C C 41 174.635 173.700 0.935 1
1 418 . 15 1 1 A 42 42 GLY CA C 42 44.675 46.551 -1.876 1
1 419 . 15 1 1 A 42 42 GLY HA2 H 42 4.151 4.182 -0.031 1
1 420 . 15 1 1 A 42 42 GLY HA3 H 42 4.095 4.182 -0.087 1
1 421 . 15 1 1 A 43 43 PRO CA C 43 63.213 62.852 0.361 1
1 422 . 15 1 1 A 43 43 PRO HA H 43 4.476 4.516 -0.040 1
1 423 . 15 1 1 A 43 43 PRO CB C 43 32.217 31.714 0.503 1
1 432 . 15 1 1 A 45 45 SER CA C 45 58.359 61.928 -3.569 1
1 433 . 15 1 1 A 45 45 SER HA H 45 4.496 4.136 0.360 1
1 434 . 15 1 1 A 45 45 SER CB C 45 64.036 63.253 0.783 1
1 437 . 15 1 1 A 45 45 SER C C 45 173.895 175.533 -1.638 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.428 45.707 -0.279 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.049 4.122 -0.073 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.049 4.125 -0.076 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.518 172.630 1.888 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.808 115.352 -2.544 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.145 8.629 -0.484 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.842 60.184 1.658 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.361 4.880 -0.519 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.802 69.855 -0.053 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.285 174.478 0.807 1
1 16 . 16 1 1 A 9 9 GLY N N 9 110.918 112.809 -1.891 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.318 8.646 -0.328 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.316 47.145 -1.829 1
1 19 . 16 1 1 A 9 9 GLY HA2 H 9 3.961 3.887 0.074 1
1 20 . 16 1 1 A 9 9 GLY HA3 H 9 3.961 3.892 0.069 1
1 21 . 16 1 1 A 10 10 GLU N N 10 120.269 120.917 -0.648 1
1 22 . 16 1 1 A 10 10 GLU H H 10 8.223 7.893 0.330 1
1 23 . 16 1 1 A 10 10 GLU CA C 10 56.774 56.674 0.100 1
1 24 . 16 1 1 A 10 10 GLU HA H 10 4.196 4.373 -0.177 1
1 25 . 16 1 1 A 10 10 GLU CB C 10 30.450 30.070 0.380 1
1 31 . 16 1 1 A 10 10 GLU C C 10 176.312 176.097 0.215 1
1 32 . 16 1 1 A 11 11 LYS N N 11 121.676 121.308 0.368 1
1 33 . 16 1 1 A 11 11 LYS H H 11 8.287 7.396 0.891 1
1 34 . 16 1 1 A 11 11 LYS CA C 11 53.916 52.991 0.925 1
1 35 . 16 1 1 A 11 11 LYS HA H 11 4.497 4.724 -0.227 1
1 36 . 16 1 1 A 11 11 LYS CB C 11 32.952 33.922 -0.970 1
1 48 . 16 1 1 A 11 11 LYS C C 11 174.005 176.266 -2.261 1
1 49 . 16 1 1 A 12 12 PRO CA C 12 63.420 64.163 -0.743 1
1 50 . 16 1 1 A 12 12 PRO HA H 12 4.272 4.255 0.017 1
1 51 . 16 1 1 A 12 12 PRO CB C 12 32.270 31.353 0.917 1
1 60 . 16 1 1 A 12 12 PRO C C 12 176.312 175.893 0.419 1
1 61 . 16 1 1 A 13 13 PHE N N 13 118.211 117.939 0.272 1
1 62 . 16 1 1 A 13 13 PHE H H 13 8.097 7.528 0.569 1
1 63 . 16 1 1 A 13 13 PHE CA C 13 57.267 56.352 0.915 1
1 64 . 16 1 1 A 13 13 PHE HA H 13 4.640 5.300 -0.660 1
1 65 . 16 1 1 A 13 13 PHE CB C 13 39.302 42.530 -3.228 1
1 78 . 16 1 1 A 13 13 PHE C C 13 174.594 174.177 0.417 1
1 79 . 16 1 1 A 14 14 GLU N N 14 124.060 123.953 0.107 1
1 80 . 16 1 1 A 14 14 GLU H H 14 8.568 8.961 -0.393 1
1 81 . 16 1 1 A 14 14 GLU CA C 14 55.291 54.863 0.428 1
1 82 . 16 1 1 A 14 14 GLU HA H 14 4.849 5.527 -0.678 1
1 83 . 16 1 1 A 14 14 GLU CB C 14 32.713 33.415 -0.702 1
1 89 . 16 1 1 A 14 14 GLU C C 14 175.419 174.912 0.507 1
1 90 . 16 1 1 A 15 15 CYS N N 15 126.818 124.969 1.849 1
1 91 . 16 1 1 A 15 15 CYS H H 15 9.101 8.964 0.137 1
1 92 . 16 1 1 A 15 15 CYS CA C 15 59.631 59.240 0.391 1
1 93 . 16 1 1 A 15 15 CYS HA H 15 4.558 4.671 -0.113 1
1 94 . 16 1 1 A 15 15 CYS CB C 15 29.865 28.862 1.003 1
1 97 . 16 1 1 A 15 15 CYS C C 15 176.885 174.642 2.243 1
1 98 . 16 1 1 A 16 16 SER N N 16 112.930 119.833 -6.903 1
1 99 . 16 1 1 A 16 16 SER H H 16 9.124 8.933 0.191 1
1 100 . 16 1 1 A 16 16 SER CA C 16 60.826 59.112 1.714 1
1 101 . 16 1 1 A 16 16 SER HA H 16 4.356 4.537 -0.181 1
1 102 . 16 1 1 A 16 16 SER CB C 16 63.144 65.102 -1.958 1
1 105 . 16 1 1 A 16 16 SER C C 16 174.769 176.055 -1.286 1
1 106 . 16 1 1 A 17 17 GLU N N 17 123.223 120.855 2.368 1
1 107 . 16 1 1 A 17 17 GLU H H 17 8.865 8.141 0.724 1
1 108 . 16 1 1 A 17 17 GLU CA C 17 57.918 58.755 -0.837 1
1 109 . 16 1 1 A 17 17 GLU HA H 17 4.287 4.083 0.204 1
1 110 . 16 1 1 A 17 17 GLU CB C 17 29.917 30.299 -0.382 1
1 116 . 16 1 1 A 17 17 GLU C C 17 176.999 178.222 -1.223 1
1 117 . 16 1 1 A 18 18 CYS N N 18 116.163 115.076 1.087 1
1 118 . 16 1 1 A 18 18 CYS H H 18 7.875 7.628 0.247 1
1 119 . 16 1 1 A 18 18 CYS CA C 18 58.661 59.001 -0.340 1
1 120 . 16 1 1 A 18 18 CYS HA H 18 5.031 4.416 0.615 1
1 121 . 16 1 1 A 18 18 CYS CB C 18 31.745 28.934 2.811 1
1 124 . 16 1 1 A 18 18 CYS C C 18 174.845 174.456 0.389 1
1 125 . 16 1 1 A 19 19 GLN N N 19 116.345 116.522 -0.177 1
1 126 . 16 1 1 A 19 19 GLN H H 19 8.133 7.949 0.184 1
1 127 . 16 1 1 A 19 19 GLN CA C 19 58.722 56.878 1.844 1
1 128 . 16 1 1 A 19 19 GLN HA H 19 4.117 4.033 0.084 1
1 129 . 16 1 1 A 19 19 GLN CB C 19 26.290 26.237 0.053 1
1 138 . 16 1 1 A 19 19 GLN C C 19 174.950 174.431 0.519 1
1 139 . 16 1 1 A 20 20 LYS N N 20 121.633 118.867 2.766 1
1 140 . 16 1 1 A 20 20 LYS H H 20 7.934 7.965 -0.031 1
1 141 . 16 1 1 A 20 20 LYS CA C 20 57.862 55.728 2.134 1
1 142 . 16 1 1 A 20 20 LYS HA H 20 4.083 4.492 -0.409 1
1 143 . 16 1 1 A 20 20 LYS CB C 20 34.143 33.898 0.245 1
1 155 . 16 1 1 A 20 20 LYS C C 20 173.968 175.249 -1.281 1
1 156 . 16 1 1 A 21 21 ALA N N 21 123.578 124.943 -1.365 1
1 157 . 16 1 1 A 21 21 ALA H H 21 7.807 8.338 -0.531 1
1 158 . 16 1 1 A 21 21 ALA CA C 21 50.538 50.030 0.508 1
1 159 . 16 1 1 A 21 21 ALA HA H 21 5.067 5.568 -0.501 1
1 160 . 16 1 1 A 21 21 ALA CB C 21 22.260 22.031 0.229 1
1 164 . 16 1 1 A 21 21 ALA C C 21 176.143 176.301 -0.158 1
1 165 . 16 1 1 A 22 22 PHE N N 22 116.532 118.467 -1.935 1
1 166 . 16 1 1 A 22 22 PHE H H 22 8.637 8.796 -0.159 1
1 167 . 16 1 1 A 22 22 PHE CA C 22 57.465 56.827 0.638 1
1 168 . 16 1 1 A 22 22 PHE HA H 22 4.665 4.978 -0.313 1
1 169 . 16 1 1 A 22 22 PHE CB C 22 43.945 44.089 -0.144 1
1 182 . 16 1 1 A 22 22 PHE C C 22 175.082 175.506 -0.424 1
1 183 . 16 1 1 A 23 23 ASN CA C 23 55.192 54.196 0.996 1
1 184 . 16 1 1 A 23 23 ASN HA H 23 4.880 4.969 -0.089 1
1 185 . 16 1 1 A 23 23 ASN CB C 23 39.136 39.231 -0.095 1
1 191 . 16 1 1 A 23 23 ASN C C 23 175.375 175.443 -0.068 1
1 192 . 16 1 1 A 24 24 THR N N 24 120.293 110.132 10.161 1
1 193 . 16 1 1 A 24 24 THR H H 24 7.421 7.705 -0.284 1
1 194 . 16 1 1 A 24 24 THR CA C 24 58.831 58.828 0.003 1
1 195 . 16 1 1 A 24 24 THR HA H 24 4.637 4.402 0.235 1
1 196 . 16 1 1 A 24 24 THR CB C 24 72.609 71.570 1.039 1
1 202 . 16 1 1 A 24 24 THR C C 24 173.507 174.238 -0.731 1
1 203 . 16 1 1 A 25 25 LYS N N 25 124.488 122.417 2.071 1
1 204 . 16 1 1 A 25 25 LYS H H 25 8.175 8.125 0.050 1
1 205 . 16 1 1 A 25 25 LYS CA C 25 58.622 59.239 -0.617 1
1 206 . 16 1 1 A 25 25 LYS HA H 25 3.105 3.277 -0.172 1
1 207 . 16 1 1 A 25 25 LYS CB C 25 31.613 31.955 -0.342 1
1 219 . 16 1 1 A 25 25 LYS C C 25 178.363 177.995 0.368 1
1 220 . 16 1 1 A 26 26 SER N N 26 112.511 115.029 -2.518 1
1 221 . 16 1 1 A 26 26 SER H H 26 8.248 8.155 0.093 1
1 222 . 16 1 1 A 26 26 SER CA C 26 61.540 61.256 0.284 1
1 223 . 16 1 1 A 26 26 SER HA H 26 3.962 4.094 -0.132 1
1 224 . 16 1 1 A 26 26 SER CB C 26 62.203 62.581 -0.378 1
1 227 . 16 1 1 A 26 26 SER C C 26 176.506 177.074 -0.568 1
1 228 . 16 1 1 A 27 27 ASN N N 27 118.519 120.609 -2.090 1
1 229 . 16 1 1 A 27 27 ASN H H 27 7.575 7.966 -0.391 1
1 230 . 16 1 1 A 27 27 ASN CA C 27 55.248 56.249 -1.001 1
1 231 . 16 1 1 A 27 27 ASN HA H 27 4.432 4.424 0.008 1
1 232 . 16 1 1 A 27 27 ASN CB C 27 37.796 38.006 -0.210 1
1 238 . 16 1 1 A 27 27 ASN C C 27 177.845 177.560 0.285 1
1 239 . 16 1 1 A 28 28 LEU N N 28 123.404 121.209 2.195 1
1 240 . 16 1 1 A 28 28 LEU H H 28 7.347 7.429 -0.082 1
1 241 . 16 1 1 A 28 28 LEU CA C 28 58.281 57.963 0.318 1
1 242 . 16 1 1 A 28 28 LEU HA H 28 3.278 2.883 0.395 1
1 243 . 16 1 1 A 28 28 LEU CB C 28 40.486 41.459 -0.973 1
1 256 . 16 1 1 A 28 28 LEU C C 28 177.276 178.419 -1.143 1
1 257 . 16 1 1 A 29 29 ILE N N 29 120.611 120.033 0.578 1
1 258 . 16 1 1 A 29 29 ILE H H 29 8.285 8.218 0.067 1
1 259 . 16 1 1 A 29 29 ILE CA C 29 65.036 65.392 -0.356 1
1 260 . 16 1 1 A 29 29 ILE HA H 29 3.727 3.562 0.165 1
1 261 . 16 1 1 A 29 29 ILE CB C 29 37.616 37.646 -0.030 1
1 274 . 16 1 1 A 29 29 ILE C C 29 179.149 178.270 0.879 1
1 275 . 16 1 1 A 30 30 VAL N N 30 119.090 120.214 -1.124 1
1 276 . 16 1 1 A 30 30 VAL H H 30 7.578 7.779 -0.201 1
1 277 . 16 1 1 A 30 30 VAL CA C 30 66.753 66.379 0.374 1
1 278 . 16 1 1 A 30 30 VAL HA H 30 3.469 3.587 -0.118 1
1 279 . 16 1 1 A 30 30 VAL CB C 30 31.959 31.445 0.514 1
1 289 . 16 1 1 A 30 30 VAL C C 30 179.079 177.649 1.430 1
1 290 . 16 1 1 A 31 31 HIS N N 31 119.088 119.731 -0.643 1
1 291 . 16 1 1 A 31 31 HIS H H 31 7.441 8.061 -0.620 1
1 292 . 16 1 1 A 31 31 HIS CA C 31 59.210 58.510 0.700 1
1 293 . 16 1 1 A 31 31 HIS HA H 31 4.197 4.193 0.004 1
1 294 . 16 1 1 A 31 31 HIS CB C 31 28.110 30.245 -2.135 1
1 301 . 16 1 1 A 31 31 HIS C C 31 178.149 177.094 1.055 1
1 302 . 16 1 1 A 32 32 GLN N N 32 120.672 118.590 2.082 1
1 303 . 16 1 1 A 32 32 GLN H H 32 8.973 7.680 1.293 1
1 304 . 16 1 1 A 32 32 GLN CA C 32 59.954 58.477 1.477 1
1 305 . 16 1 1 A 32 32 GLN HA H 32 3.620 4.123 -0.503 1
1 306 . 16 1 1 A 32 32 GLN CB C 32 28.132 28.905 -0.773 1
1 315 . 16 1 1 A 32 32 GLN C C 32 177.938 178.595 -0.657 1
1 316 . 16 1 1 A 33 33 ARG N N 33 117.768 118.982 -1.214 1
1 317 . 16 1 1 A 33 33 ARG H H 33 7.323 8.320 -0.997 1
1 318 . 16 1 1 A 33 33 ARG CA C 33 58.576 58.654 -0.078 1
1 319 . 16 1 1 A 33 33 ARG HA H 33 4.171 4.088 0.083 1
1 320 . 16 1 1 A 33 33 ARG CB C 33 30.016 29.924 0.092 1
1 329 . 16 1 1 A 33 33 ARG C C 33 178.202 178.340 -0.138 1
1 330 . 16 1 1 A 34 34 THR N N 34 109.590 114.100 -4.510 1
1 331 . 16 1 1 A 34 34 THR H H 34 7.812 8.000 -0.188 1
1 332 . 16 1 1 A 34 34 THR CA C 34 63.867 64.130 -0.263 1
1 333 . 16 1 1 A 34 34 THR HA H 34 4.113 3.993 0.120 1
1 334 . 16 1 1 A 34 34 THR CB C 34 69.435 68.654 0.781 1
1 340 . 16 1 1 A 34 34 THR C C 34 175.584 175.710 -0.126 1
1 341 . 16 1 1 A 35 35 HIS N N 35 118.698 117.194 1.504 1
1 342 . 16 1 1 A 35 35 HIS H H 35 7.187 7.501 -0.314 1
1 343 . 16 1 1 A 35 35 HIS CA C 35 55.498 54.468 1.030 1
1 344 . 16 1 1 A 35 35 HIS HA H 35 4.864 4.650 0.214 1
1 345 . 16 1 1 A 35 35 HIS CB C 35 28.676 27.401 1.275 1
1 352 . 16 1 1 A 35 35 HIS C C 35 175.584 173.733 1.851 1
1 353 . 16 1 1 A 36 36 THR N N 36 112.399 110.902 1.497 1
1 354 . 16 1 1 A 36 36 THR H H 36 7.811 7.877 -0.066 1
1 355 . 16 1 1 A 36 36 THR CA C 36 62.362 60.537 1.825 1
1 356 . 16 1 1 A 36 36 THR HA H 36 4.358 4.939 -0.581 1
1 357 . 16 1 1 A 36 36 THR CB C 36 69.845 70.556 -0.711 1
1 363 . 16 1 1 A 36 36 THR C C 36 175.377 174.331 1.046 1
1 364 . 16 1 1 A 37 37 GLY N N 37 111.020 111.475 -0.455 1
1 365 . 16 1 1 A 37 37 GLY H H 37 8.446 8.631 -0.185 1
1 366 . 16 1 1 A 37 37 GLY CA C 37 45.083 45.391 -0.308 1
1 367 . 16 1 1 A 37 37 GLY HA2 H 37 3.985 4.199 -0.214 1
1 368 . 16 1 1 A 37 37 GLY HA3 H 37 3.985 4.204 -0.219 1
1 369 . 16 1 1 A 37 37 GLY C C 37 174.005 174.432 -0.427 1
1 370 . 16 1 1 A 38 38 GLU N N 38 120.659 120.653 0.006 1
1 371 . 16 1 1 A 38 38 GLU H H 38 8.132 8.236 -0.104 1
1 372 . 16 1 1 A 38 38 GLU CA C 38 56.441 56.824 -0.383 1
1 373 . 16 1 1 A 38 38 GLU HA H 38 4.240 4.483 -0.243 1
1 374 . 16 1 1 A 38 38 GLU CB C 38 30.497 30.372 0.125 1
1 380 . 16 1 1 A 38 38 GLU C C 38 176.239 176.242 -0.003 1
1 381 . 16 1 1 A 39 39 LYS N N 39 123.933 124.984 -1.051 1
1 382 . 16 1 1 A 39 39 LYS H H 39 8.428 8.697 -0.269 1
1 383 . 16 1 1 A 39 39 LYS CA C 39 54.087 52.691 1.396 1
1 384 . 16 1 1 A 39 39 LYS HA H 39 4.601 4.865 -0.264 1
1 385 . 16 1 1 A 39 39 LYS CB C 39 32.513 35.432 -2.919 1
1 397 . 16 1 1 A 39 39 LYS C C 39 174.467 174.389 0.078 1
1 398 . 16 1 1 A 40 40 PRO CA C 40 63.220 62.619 0.601 1
1 399 . 16 1 1 A 40 40 PRO HA H 40 4.446 4.634 -0.188 1
1 400 . 16 1 1 A 40 40 PRO CB C 40 32.146 31.479 0.667 1
1 409 . 16 1 1 A 40 40 PRO C C 40 176.972 177.845 -0.873 1
1 410 . 16 1 1 A 41 41 SER N N 41 116.493 118.729 -2.236 1
1 411 . 16 1 1 A 41 41 SER H H 41 8.462 8.804 -0.342 1
1 412 . 16 1 1 A 41 41 SER CA C 41 58.320 61.379 -3.059 1
1 413 . 16 1 1 A 41 41 SER HA H 41 4.470 4.189 0.281 1
1 414 . 16 1 1 A 41 41 SER CB C 41 64.163 63.699 0.464 1
1 417 . 16 1 1 A 41 41 SER C C 41 174.635 175.250 -0.615 1
1 418 . 16 1 1 A 42 42 GLY CA C 42 44.675 45.170 -0.495 1
1 419 . 16 1 1 A 42 42 GLY HA2 H 42 4.151 4.080 0.071 1
1 420 . 16 1 1 A 42 42 GLY HA3 H 42 4.095 4.080 0.015 1
1 421 . 16 1 1 A 43 43 PRO CA C 43 63.213 63.920 -0.707 1
1 422 . 16 1 1 A 43 43 PRO HA H 43 4.476 4.524 -0.048 1
1 423 . 16 1 1 A 43 43 PRO CB C 43 32.217 31.449 0.768 1
1 432 . 16 1 1 A 45 45 SER CA C 45 58.359 59.260 -0.901 1
1 433 . 16 1 1 A 45 45 SER HA H 45 4.496 4.046 0.450 1
1 434 . 16 1 1 A 45 45 SER CB C 45 64.036 61.805 2.231 1
1 437 . 16 1 1 A 45 45 SER C C 45 173.895 173.528 0.367 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.428 45.374 0.054 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.049 3.889 0.160 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.049 3.890 0.159 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.518 173.730 0.788 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.808 111.817 0.991 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.145 8.048 0.097 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.842 59.579 2.263 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.361 5.131 -0.770 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.802 71.581 -1.779 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.285 173.873 1.412 1
1 16 . 17 1 1 A 9 9 GLY N N 9 110.918 108.844 2.074 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.318 8.188 0.130 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.316 46.061 -0.745 1
1 19 . 17 1 1 A 9 9 GLY HA2 H 9 3.961 4.021 -0.060 1
1 20 . 17 1 1 A 9 9 GLY HA3 H 9 3.961 4.026 -0.065 1
1 21 . 17 1 1 A 10 10 GLU N N 10 120.269 120.670 -0.401 1
1 22 . 17 1 1 A 10 10 GLU H H 10 8.223 8.240 -0.017 1
1 23 . 17 1 1 A 10 10 GLU CA C 10 56.774 57.142 -0.368 1
1 24 . 17 1 1 A 10 10 GLU HA H 10 4.196 3.980 0.216 1
1 25 . 17 1 1 A 10 10 GLU CB C 10 30.450 28.245 2.205 1
1 31 . 17 1 1 A 10 10 GLU C C 10 176.312 175.693 0.619 1
1 32 . 17 1 1 A 11 11 LYS N N 11 121.676 120.087 1.589 1
1 33 . 17 1 1 A 11 11 LYS H H 11 8.287 7.994 0.293 1
1 34 . 17 1 1 A 11 11 LYS CA C 11 53.916 55.222 -1.306 1
1 35 . 17 1 1 A 11 11 LYS HA H 11 4.497 4.351 0.146 1
1 36 . 17 1 1 A 11 11 LYS CB C 11 32.952 32.075 0.877 1
1 48 . 17 1 1 A 11 11 LYS C C 11 174.005 176.615 -2.610 1
1 49 . 17 1 1 A 12 12 PRO CA C 12 63.420 64.731 -1.311 1
1 50 . 17 1 1 A 12 12 PRO HA H 12 4.272 4.305 -0.033 1
1 51 . 17 1 1 A 12 12 PRO CB C 12 32.270 31.775 0.495 1
1 60 . 17 1 1 A 12 12 PRO C C 12 176.312 176.130 0.182 1
1 61 . 17 1 1 A 13 13 PHE N N 13 118.211 118.192 0.019 1
1 62 . 17 1 1 A 13 13 PHE H H 13 8.097 7.860 0.237 1
1 63 . 17 1 1 A 13 13 PHE CA C 13 57.267 57.454 -0.187 1
1 64 . 17 1 1 A 13 13 PHE HA H 13 4.640 4.913 -0.273 1
1 65 . 17 1 1 A 13 13 PHE CB C 13 39.302 40.279 -0.977 1
1 78 . 17 1 1 A 13 13 PHE C C 13 174.594 174.916 -0.322 1
1 79 . 17 1 1 A 14 14 GLU N N 14 124.060 122.763 1.297 1
1 80 . 17 1 1 A 14 14 GLU H H 14 8.568 8.928 -0.360 1
1 81 . 17 1 1 A 14 14 GLU CA C 14 55.291 55.258 0.033 1
1 82 . 17 1 1 A 14 14 GLU HA H 14 4.849 5.521 -0.672 1
1 83 . 17 1 1 A 14 14 GLU CB C 14 32.713 33.761 -1.048 1
1 89 . 17 1 1 A 14 14 GLU C C 14 175.419 174.835 0.584 1
1 90 . 17 1 1 A 15 15 CYS N N 15 126.818 125.370 1.448 1
1 91 . 17 1 1 A 15 15 CYS H H 15 9.101 9.387 -0.286 1
1 92 . 17 1 1 A 15 15 CYS CA C 15 59.631 59.347 0.284 1
1 93 . 17 1 1 A 15 15 CYS HA H 15 4.558 4.618 -0.060 1
1 94 . 17 1 1 A 15 15 CYS CB C 15 29.865 28.768 1.097 1
1 97 . 17 1 1 A 15 15 CYS C C 15 176.885 174.815 2.070 1
1 98 . 17 1 1 A 16 16 SER N N 16 112.930 117.995 -5.065 1
1 99 . 17 1 1 A 16 16 SER H H 16 9.124 8.876 0.248 1
1 100 . 17 1 1 A 16 16 SER CA C 16 60.826 59.472 1.354 1
1 101 . 17 1 1 A 16 16 SER HA H 16 4.356 4.723 -0.367 1
1 102 . 17 1 1 A 16 16 SER CB C 16 63.144 64.983 -1.839 1
1 105 . 17 1 1 A 16 16 SER C C 16 174.769 174.951 -0.182 1
1 106 . 17 1 1 A 17 17 GLU N N 17 123.223 120.751 2.472 1
1 107 . 17 1 1 A 17 17 GLU H H 17 8.865 8.039 0.826 1
1 108 . 17 1 1 A 17 17 GLU CA C 17 57.918 58.434 -0.516 1
1 109 . 17 1 1 A 17 17 GLU HA H 17 4.287 4.115 0.172 1
1 110 . 17 1 1 A 17 17 GLU CB C 17 29.917 29.901 0.016 1
1 116 . 17 1 1 A 17 17 GLU C C 17 176.999 178.372 -1.373 1
1 117 . 17 1 1 A 18 18 CYS N N 18 116.163 115.625 0.538 1
1 118 . 17 1 1 A 18 18 CYS H H 18 7.875 7.755 0.120 1
1 119 . 17 1 1 A 18 18 CYS CA C 18 58.661 59.210 -0.549 1
1 120 . 17 1 1 A 18 18 CYS HA H 18 5.031 4.517 0.514 1
1 121 . 17 1 1 A 18 18 CYS CB C 18 31.745 28.754 2.991 1
1 124 . 17 1 1 A 18 18 CYS C C 18 174.845 174.429 0.416 1
1 125 . 17 1 1 A 19 19 GLN N N 19 116.345 116.614 -0.269 1
1 126 . 17 1 1 A 19 19 GLN H H 19 8.133 7.953 0.180 1
1 127 . 17 1 1 A 19 19 GLN CA C 19 58.722 56.897 1.825 1
1 128 . 17 1 1 A 19 19 GLN HA H 19 4.117 3.881 0.236 1
1 129 . 17 1 1 A 19 19 GLN CB C 19 26.290 26.086 0.204 1
1 138 . 17 1 1 A 19 19 GLN C C 19 174.950 174.304 0.646 1
1 139 . 17 1 1 A 20 20 LYS N N 20 121.633 119.280 2.353 1
1 140 . 17 1 1 A 20 20 LYS H H 20 7.934 7.931 0.003 1
1 141 . 17 1 1 A 20 20 LYS CA C 20 57.862 55.941 1.921 1
1 142 . 17 1 1 A 20 20 LYS HA H 20 4.083 4.529 -0.446 1
1 143 . 17 1 1 A 20 20 LYS CB C 20 34.143 33.764 0.379 1
1 155 . 17 1 1 A 20 20 LYS C C 20 173.968 175.574 -1.606 1
1 156 . 17 1 1 A 21 21 ALA N N 21 123.578 126.209 -2.631 1
1 157 . 17 1 1 A 21 21 ALA H H 21 7.807 8.391 -0.584 1
1 158 . 17 1 1 A 21 21 ALA CA C 21 50.538 51.109 -0.571 1
1 159 . 17 1 1 A 21 21 ALA HA H 21 5.067 5.139 -0.072 1
1 160 . 17 1 1 A 21 21 ALA CB C 21 22.260 20.930 1.330 1
1 164 . 17 1 1 A 21 21 ALA C C 21 176.143 176.658 -0.515 1
1 165 . 17 1 1 A 22 22 PHE N N 22 116.532 117.915 -1.383 1
1 166 . 17 1 1 A 22 22 PHE H H 22 8.637 8.736 -0.099 1
1 167 . 17 1 1 A 22 22 PHE CA C 22 57.465 56.496 0.969 1
1 168 . 17 1 1 A 22 22 PHE HA H 22 4.665 4.978 -0.313 1
1 169 . 17 1 1 A 22 22 PHE CB C 22 43.945 43.637 0.308 1
1 182 . 17 1 1 A 22 22 PHE C C 22 175.082 175.405 -0.323 1
1 183 . 17 1 1 A 23 23 ASN CA C 23 55.192 54.834 0.358 1
1 184 . 17 1 1 A 23 23 ASN HA H 23 4.880 4.866 0.014 1
1 185 . 17 1 1 A 23 23 ASN CB C 23 39.136 38.946 0.190 1
1 191 . 17 1 1 A 23 23 ASN C C 23 175.375 175.580 -0.205 1
1 192 . 17 1 1 A 24 24 THR N N 24 120.293 110.267 10.026 1
1 193 . 17 1 1 A 24 24 THR H H 24 7.421 7.807 -0.386 1
1 194 . 17 1 1 A 24 24 THR CA C 24 58.831 59.219 -0.388 1
1 195 . 17 1 1 A 24 24 THR HA H 24 4.637 4.417 0.220 1
1 196 . 17 1 1 A 24 24 THR CB C 24 72.609 70.949 1.660 1
1 202 . 17 1 1 A 24 24 THR C C 24 173.507 174.627 -1.120 1
1 203 . 17 1 1 A 25 25 LYS N N 25 124.488 122.595 1.893 1
1 204 . 17 1 1 A 25 25 LYS H H 25 8.175 8.219 -0.044 1
1 205 . 17 1 1 A 25 25 LYS CA C 25 58.622 59.848 -1.226 1
1 206 . 17 1 1 A 25 25 LYS HA H 25 3.105 3.013 0.092 1
1 207 . 17 1 1 A 25 25 LYS CB C 25 31.613 31.673 -0.060 1
1 219 . 17 1 1 A 25 25 LYS C C 25 178.363 177.892 0.471 1
1 220 . 17 1 1 A 26 26 SER N N 26 112.511 116.807 -4.296 1
1 221 . 17 1 1 A 26 26 SER H H 26 8.248 7.954 0.294 1
1 222 . 17 1 1 A 26 26 SER CA C 26 61.540 62.019 -0.479 1
1 223 . 17 1 1 A 26 26 SER HA H 26 3.962 4.002 -0.040 1
1 224 . 17 1 1 A 26 26 SER CB C 26 62.203 62.590 -0.387 1
1 227 . 17 1 1 A 26 26 SER C C 26 176.506 176.633 -0.127 1
1 228 . 17 1 1 A 27 27 ASN N N 27 118.519 120.750 -2.231 1
1 229 . 17 1 1 A 27 27 ASN H H 27 7.575 7.995 -0.420 1
1 230 . 17 1 1 A 27 27 ASN CA C 27 55.248 56.397 -1.149 1
1 231 . 17 1 1 A 27 27 ASN HA H 27 4.432 4.445 -0.013 1
1 232 . 17 1 1 A 27 27 ASN CB C 27 37.796 38.032 -0.236 1
1 238 . 17 1 1 A 27 27 ASN C C 27 177.845 177.734 0.111 1
1 239 . 17 1 1 A 28 28 LEU N N 28 123.404 121.372 2.032 1
1 240 . 17 1 1 A 28 28 LEU H H 28 7.347 7.559 -0.212 1
1 241 . 17 1 1 A 28 28 LEU CA C 28 58.281 57.903 0.378 1
1 242 . 17 1 1 A 28 28 LEU HA H 28 3.278 2.452 0.826 1
1 243 . 17 1 1 A 28 28 LEU CB C 28 40.486 41.286 -0.800 1
1 256 . 17 1 1 A 28 28 LEU C C 28 177.276 178.246 -0.970 1
1 257 . 17 1 1 A 29 29 ILE N N 29 120.611 120.026 0.585 1
1 258 . 17 1 1 A 29 29 ILE H H 29 8.285 7.901 0.384 1
1 259 . 17 1 1 A 29 29 ILE CA C 29 65.036 65.349 -0.313 1
1 260 . 17 1 1 A 29 29 ILE HA H 29 3.727 3.569 0.158 1
1 261 . 17 1 1 A 29 29 ILE CB C 29 37.616 37.882 -0.266 1
1 274 . 17 1 1 A 29 29 ILE C C 29 179.149 177.981 1.168 1
1 275 . 17 1 1 A 30 30 VAL N N 30 119.090 119.921 -0.831 1
1 276 . 17 1 1 A 30 30 VAL H H 30 7.578 7.933 -0.355 1
1 277 . 17 1 1 A 30 30 VAL CA C 30 66.753 65.973 0.780 1
1 278 . 17 1 1 A 30 30 VAL HA H 30 3.469 3.720 -0.251 1
1 279 . 17 1 1 A 30 30 VAL CB C 30 31.959 31.613 0.346 1
1 289 . 17 1 1 A 30 30 VAL C C 30 179.079 178.029 1.050 1
1 290 . 17 1 1 A 31 31 HIS N N 31 119.088 121.048 -1.960 1
1 291 . 17 1 1 A 31 31 HIS H H 31 7.441 8.092 -0.651 1
1 292 . 17 1 1 A 31 31 HIS CA C 31 59.210 58.644 0.566 1
1 293 . 17 1 1 A 31 31 HIS HA H 31 4.197 4.292 -0.095 1
1 294 . 17 1 1 A 31 31 HIS CB C 31 28.110 30.103 -1.993 1
1 301 . 17 1 1 A 31 31 HIS C C 31 178.149 177.059 1.090 1
1 302 . 17 1 1 A 32 32 GLN N N 32 120.672 118.809 1.863 1
1 303 . 17 1 1 A 32 32 GLN H H 32 8.973 8.350 0.623 1
1 304 . 17 1 1 A 32 32 GLN CA C 32 59.954 59.277 0.677 1
1 305 . 17 1 1 A 32 32 GLN HA H 32 3.620 3.870 -0.250 1
1 306 . 17 1 1 A 32 32 GLN CB C 32 28.132 28.321 -0.189 1
1 315 . 17 1 1 A 32 32 GLN C C 32 177.938 178.302 -0.364 1
1 316 . 17 1 1 A 33 33 ARG N N 33 117.768 117.768 0.000 1
1 317 . 17 1 1 A 33 33 ARG H H 33 7.323 7.810 -0.487 1
1 318 . 17 1 1 A 33 33 ARG CA C 33 58.576 58.484 0.092 1
1 319 . 17 1 1 A 33 33 ARG HA H 33 4.171 4.160 0.011 1
1 320 . 17 1 1 A 33 33 ARG CB C 33 30.016 30.012 0.004 1
1 329 . 17 1 1 A 33 33 ARG C C 33 178.202 177.716 0.486 1
1 330 . 17 1 1 A 34 34 THR N N 34 109.590 111.664 -2.074 1
1 331 . 17 1 1 A 34 34 THR H H 34 7.812 7.885 -0.073 1
1 332 . 17 1 1 A 34 34 THR CA C 34 63.867 65.424 -1.557 1
1 333 . 17 1 1 A 34 34 THR HA H 34 4.113 3.941 0.172 1
1 334 . 17 1 1 A 34 34 THR CB C 34 69.435 67.806 1.629 1
1 340 . 17 1 1 A 34 34 THR C C 34 175.584 176.958 -1.374 1
1 341 . 17 1 1 A 35 35 HIS N N 35 118.698 119.464 -0.766 1
1 342 . 17 1 1 A 35 35 HIS H H 35 7.187 7.778 -0.591 1
1 343 . 17 1 1 A 35 35 HIS CA C 35 55.498 58.666 -3.168 1
1 344 . 17 1 1 A 35 35 HIS HA H 35 4.864 4.350 0.514 1
1 345 . 17 1 1 A 35 35 HIS CB C 35 28.676 30.056 -1.380 1
1 352 . 17 1 1 A 35 35 HIS C C 35 175.584 175.006 0.578 1
1 353 . 17 1 1 A 36 36 THR N N 36 112.399 110.032 2.367 1
1 354 . 17 1 1 A 36 36 THR H H 36 7.811 7.634 0.177 1
1 355 . 17 1 1 A 36 36 THR CA C 36 62.362 60.517 1.845 1
1 356 . 17 1 1 A 36 36 THR HA H 36 4.358 4.719 -0.361 1
1 357 . 17 1 1 A 36 36 THR CB C 36 69.845 69.954 -0.109 1
1 363 . 17 1 1 A 36 36 THR C C 36 175.377 174.239 1.138 1
1 364 . 17 1 1 A 37 37 GLY N N 37 111.020 113.673 -2.653 1
1 365 . 17 1 1 A 37 37 GLY H H 37 8.446 8.780 -0.334 1
1 366 . 17 1 1 A 37 37 GLY CA C 37 45.083 45.757 -0.674 1
1 367 . 17 1 1 A 37 37 GLY HA2 H 37 3.985 4.155 -0.170 1
1 368 . 17 1 1 A 37 37 GLY HA3 H 37 3.985 4.160 -0.175 1
1 369 . 17 1 1 A 37 37 GLY C C 37 174.005 173.623 0.382 1
1 370 . 17 1 1 A 38 38 GLU N N 38 120.659 121.376 -0.717 1
1 371 . 17 1 1 A 38 38 GLU H H 38 8.132 8.247 -0.115 1
1 372 . 17 1 1 A 38 38 GLU CA C 38 56.441 56.417 0.024 1
1 373 . 17 1 1 A 38 38 GLU HA H 38 4.240 4.332 -0.092 1
1 374 . 17 1 1 A 38 38 GLU CB C 38 30.497 30.920 -0.423 1
1 380 . 17 1 1 A 38 38 GLU C C 38 176.239 176.453 -0.214 1
1 381 . 17 1 1 A 39 39 LYS N N 39 123.933 122.637 1.296 1
1 382 . 17 1 1 A 39 39 LYS H H 39 8.428 8.205 0.223 1
1 383 . 17 1 1 A 39 39 LYS CA C 39 54.087 54.337 -0.250 1
1 384 . 17 1 1 A 39 39 LYS HA H 39 4.601 4.391 0.210 1
1 385 . 17 1 1 A 39 39 LYS CB C 39 32.513 33.362 -0.849 1
1 397 . 17 1 1 A 39 39 LYS C C 39 174.467 176.569 -2.102 1
1 398 . 17 1 1 A 40 40 PRO CA C 40 63.220 64.732 -1.512 1
1 399 . 17 1 1 A 40 40 PRO HA H 40 4.446 4.462 -0.016 1
1 400 . 17 1 1 A 40 40 PRO CB C 40 32.146 32.166 -0.020 1
1 409 . 17 1 1 A 40 40 PRO C C 40 176.972 176.799 0.173 1
1 410 . 17 1 1 A 41 41 SER N N 41 116.493 113.862 2.631 1
1 411 . 17 1 1 A 41 41 SER H H 41 8.462 7.719 0.743 1
1 412 . 17 1 1 A 41 41 SER CA C 41 58.320 58.035 0.285 1
1 413 . 17 1 1 A 41 41 SER HA H 41 4.470 5.105 -0.635 1
1 414 . 17 1 1 A 41 41 SER CB C 41 64.163 66.610 -2.447 1
1 417 . 17 1 1 A 41 41 SER C C 41 174.635 172.885 1.750 1
1 418 . 17 1 1 A 42 42 GLY CA C 42 44.675 43.814 0.861 1
1 419 . 17 1 1 A 42 42 GLY HA2 H 42 4.151 4.275 -0.124 1
1 420 . 17 1 1 A 42 42 GLY HA3 H 42 4.095 4.275 -0.180 1
1 421 . 17 1 1 A 43 43 PRO CA C 43 63.213 64.712 -1.499 1
1 422 . 17 1 1 A 43 43 PRO HA H 43 4.476 4.432 0.044 1
1 423 . 17 1 1 A 43 43 PRO CB C 43 32.217 32.127 0.090 1
1 432 . 17 1 1 A 45 45 SER CA C 45 58.359 59.100 -0.741 1
1 433 . 17 1 1 A 45 45 SER HA H 45 4.496 4.514 -0.018 1
1 434 . 17 1 1 A 45 45 SER CB C 45 64.036 63.827 0.209 1
1 437 . 17 1 1 A 45 45 SER C C 45 173.895 174.420 -0.525 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.428 45.905 -0.477 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.049 4.218 -0.169 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.049 4.219 -0.170 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.518 171.687 2.831 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.808 113.104 -0.296 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.145 8.283 -0.138 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.842 60.039 1.803 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.361 4.898 -0.537 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.802 71.147 -1.345 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.285 172.748 2.537 1
1 16 . 18 1 1 A 9 9 GLY N N 9 110.918 114.301 -3.383 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.318 8.764 -0.446 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.316 45.306 0.010 1
1 19 . 18 1 1 A 9 9 GLY HA2 H 9 3.961 4.006 -0.045 1
1 20 . 18 1 1 A 9 9 GLY HA3 H 9 3.961 4.020 -0.059 1
1 21 . 18 1 1 A 10 10 GLU N N 10 120.269 123.591 -3.322 1
1 22 . 18 1 1 A 10 10 GLU H H 10 8.223 8.626 -0.403 1
1 23 . 18 1 1 A 10 10 GLU CA C 10 56.774 55.191 1.583 1
1 24 . 18 1 1 A 10 10 GLU HA H 10 4.196 4.899 -0.703 1
1 25 . 18 1 1 A 10 10 GLU CB C 10 30.450 31.262 -0.812 1
1 31 . 18 1 1 A 10 10 GLU C C 10 176.312 174.895 1.417 1
1 32 . 18 1 1 A 11 11 LYS N N 11 121.676 126.263 -4.587 1
1 33 . 18 1 1 A 11 11 LYS H H 11 8.287 8.340 -0.053 1
1 34 . 18 1 1 A 11 11 LYS CA C 11 53.916 53.462 0.454 1
1 35 . 18 1 1 A 11 11 LYS HA H 11 4.497 4.834 -0.337 1
1 36 . 18 1 1 A 11 11 LYS CB C 11 32.952 33.503 -0.551 1
1 48 . 18 1 1 A 11 11 LYS C C 11 174.005 176.476 -2.471 1
1 49 . 18 1 1 A 12 12 PRO CA C 12 63.420 64.863 -1.443 1
1 50 . 18 1 1 A 12 12 PRO HA H 12 4.272 4.265 0.007 1
1 51 . 18 1 1 A 12 12 PRO CB C 12 32.270 31.661 0.609 1
1 60 . 18 1 1 A 12 12 PRO C C 12 176.312 176.164 0.148 1
1 61 . 18 1 1 A 13 13 PHE N N 13 118.211 117.716 0.495 1
1 62 . 18 1 1 A 13 13 PHE H H 13 8.097 7.885 0.212 1
1 63 . 18 1 1 A 13 13 PHE CA C 13 57.267 57.459 -0.192 1
1 64 . 18 1 1 A 13 13 PHE HA H 13 4.640 4.802 -0.162 1
1 65 . 18 1 1 A 13 13 PHE CB C 13 39.302 39.703 -0.401 1
1 78 . 18 1 1 A 13 13 PHE C C 13 174.594 174.831 -0.237 1
1 79 . 18 1 1 A 14 14 GLU N N 14 124.060 124.556 -0.496 1
1 80 . 18 1 1 A 14 14 GLU H H 14 8.568 8.988 -0.420 1
1 81 . 18 1 1 A 14 14 GLU CA C 14 55.291 54.629 0.662 1
1 82 . 18 1 1 A 14 14 GLU HA H 14 4.849 5.664 -0.815 1
1 83 . 18 1 1 A 14 14 GLU CB C 14 32.713 33.410 -0.697 1
1 89 . 18 1 1 A 14 14 GLU C C 14 175.419 174.989 0.430 1
1 90 . 18 1 1 A 15 15 CYS N N 15 126.818 125.298 1.520 1
1 91 . 18 1 1 A 15 15 CYS H H 15 9.101 9.205 -0.104 1
1 92 . 18 1 1 A 15 15 CYS CA C 15 59.631 59.269 0.362 1
1 93 . 18 1 1 A 15 15 CYS HA H 15 4.558 4.690 -0.132 1
1 94 . 18 1 1 A 15 15 CYS CB C 15 29.865 28.833 1.032 1
1 97 . 18 1 1 A 15 15 CYS C C 15 176.885 174.923 1.962 1
1 98 . 18 1 1 A 16 16 SER N N 16 112.930 118.655 -5.725 1
1 99 . 18 1 1 A 16 16 SER H H 16 9.124 8.899 0.225 1
1 100 . 18 1 1 A 16 16 SER CA C 16 60.826 59.506 1.320 1
1 101 . 18 1 1 A 16 16 SER HA H 16 4.356 4.669 -0.313 1
1 102 . 18 1 1 A 16 16 SER CB C 16 63.144 64.660 -1.516 1
1 105 . 18 1 1 A 16 16 SER C C 16 174.769 175.004 -0.235 1
1 106 . 18 1 1 A 17 17 GLU N N 17 123.223 121.107 2.116 1
1 107 . 18 1 1 A 17 17 GLU H H 17 8.865 8.076 0.789 1
1 108 . 18 1 1 A 17 17 GLU CA C 17 57.918 58.678 -0.760 1
1 109 . 18 1 1 A 17 17 GLU HA H 17 4.287 4.092 0.195 1
1 110 . 18 1 1 A 17 17 GLU CB C 17 29.917 29.692 0.225 1
1 116 . 18 1 1 A 17 17 GLU C C 17 176.999 178.415 -1.416 1
1 117 . 18 1 1 A 18 18 CYS N N 18 116.163 115.196 0.967 1
1 118 . 18 1 1 A 18 18 CYS H H 18 7.875 7.787 0.088 1
1 119 . 18 1 1 A 18 18 CYS CA C 18 58.661 59.229 -0.568 1
1 120 . 18 1 1 A 18 18 CYS HA H 18 5.031 4.539 0.492 1
1 121 . 18 1 1 A 18 18 CYS CB C 18 31.745 28.907 2.838 1
1 124 . 18 1 1 A 18 18 CYS C C 18 174.845 174.449 0.396 1
1 125 . 18 1 1 A 19 19 GLN N N 19 116.345 116.654 -0.309 1
1 126 . 18 1 1 A 19 19 GLN H H 19 8.133 7.980 0.153 1
1 127 . 18 1 1 A 19 19 GLN CA C 19 58.722 56.806 1.916 1
1 128 . 18 1 1 A 19 19 GLN HA H 19 4.117 3.891 0.226 1
1 129 . 18 1 1 A 19 19 GLN CB C 19 26.290 26.189 0.101 1
1 138 . 18 1 1 A 19 19 GLN C C 19 174.950 174.377 0.573 1
1 139 . 18 1 1 A 20 20 LYS N N 20 121.633 119.314 2.319 1
1 140 . 18 1 1 A 20 20 LYS H H 20 7.934 7.921 0.013 1
1 141 . 18 1 1 A 20 20 LYS CA C 20 57.862 56.090 1.772 1
1 142 . 18 1 1 A 20 20 LYS HA H 20 4.083 4.405 -0.322 1
1 143 . 18 1 1 A 20 20 LYS CB C 20 34.143 33.682 0.461 1
1 155 . 18 1 1 A 20 20 LYS C C 20 173.968 175.748 -1.780 1
1 156 . 18 1 1 A 21 21 ALA N N 21 123.578 127.012 -3.434 1
1 157 . 18 1 1 A 21 21 ALA H H 21 7.807 8.456 -0.649 1
1 158 . 18 1 1 A 21 21 ALA CA C 21 50.538 50.953 -0.415 1
1 159 . 18 1 1 A 21 21 ALA HA H 21 5.067 5.021 0.046 1
1 160 . 18 1 1 A 21 21 ALA CB C 21 22.260 20.358 1.902 1
1 164 . 18 1 1 A 21 21 ALA C C 21 176.143 176.537 -0.394 1
1 165 . 18 1 1 A 22 22 PHE N N 22 116.532 119.664 -3.132 1
1 166 . 18 1 1 A 22 22 PHE H H 22 8.637 9.391 -0.754 1
1 167 . 18 1 1 A 22 22 PHE CA C 22 57.465 56.334 1.131 1
1 168 . 18 1 1 A 22 22 PHE HA H 22 4.665 5.001 -0.336 1
1 169 . 18 1 1 A 22 22 PHE CB C 22 43.945 42.280 1.665 1
1 182 . 18 1 1 A 22 22 PHE C C 22 175.082 175.877 -0.795 1
1 183 . 18 1 1 A 23 23 ASN CA C 23 55.192 55.931 -0.739 1
1 184 . 18 1 1 A 23 23 ASN HA H 23 4.880 4.864 0.016 1
1 185 . 18 1 1 A 23 23 ASN CB C 23 39.136 40.588 -1.452 1
1 191 . 18 1 1 A 23 23 ASN C C 23 175.375 175.688 -0.313 1
1 192 . 18 1 1 A 24 24 THR N N 24 120.293 111.452 8.841 1
1 193 . 18 1 1 A 24 24 THR H H 24 7.421 7.723 -0.302 1
1 194 . 18 1 1 A 24 24 THR CA C 24 58.831 58.771 0.060 1
1 195 . 18 1 1 A 24 24 THR HA H 24 4.637 4.325 0.312 1
1 196 . 18 1 1 A 24 24 THR CB C 24 72.609 71.484 1.125 1
1 202 . 18 1 1 A 24 24 THR C C 24 173.507 174.549 -1.042 1
1 203 . 18 1 1 A 25 25 LYS N N 25 124.488 122.693 1.795 1
1 204 . 18 1 1 A 25 25 LYS H H 25 8.175 8.071 0.104 1
1 205 . 18 1 1 A 25 25 LYS CA C 25 58.622 60.047 -1.425 1
1 206 . 18 1 1 A 25 25 LYS HA H 25 3.105 3.385 -0.280 1
1 207 . 18 1 1 A 25 25 LYS CB C 25 31.613 31.799 -0.186 1
1 219 . 18 1 1 A 25 25 LYS C C 25 178.363 177.998 0.365 1
1 220 . 18 1 1 A 26 26 SER N N 26 112.511 116.727 -4.216 1
1 221 . 18 1 1 A 26 26 SER H H 26 8.248 7.900 0.348 1
1 222 . 18 1 1 A 26 26 SER CA C 26 61.540 61.966 -0.426 1
1 223 . 18 1 1 A 26 26 SER HA H 26 3.962 4.024 -0.062 1
1 224 . 18 1 1 A 26 26 SER CB C 26 62.203 62.696 -0.493 1
1 227 . 18 1 1 A 26 26 SER C C 26 176.506 176.618 -0.112 1
1 228 . 18 1 1 A 27 27 ASN N N 27 118.519 120.716 -2.197 1
1 229 . 18 1 1 A 27 27 ASN H H 27 7.575 7.968 -0.393 1
1 230 . 18 1 1 A 27 27 ASN CA C 27 55.248 56.290 -1.042 1
1 231 . 18 1 1 A 27 27 ASN HA H 27 4.432 4.409 0.023 1
1 232 . 18 1 1 A 27 27 ASN CB C 27 37.796 38.310 -0.514 1
1 238 . 18 1 1 A 27 27 ASN C C 27 177.845 177.642 0.203 1
1 239 . 18 1 1 A 28 28 LEU N N 28 123.404 121.398 2.006 1
1 240 . 18 1 1 A 28 28 LEU H H 28 7.347 7.517 -0.170 1
1 241 . 18 1 1 A 28 28 LEU CA C 28 58.281 57.913 0.368 1
1 242 . 18 1 1 A 28 28 LEU HA H 28 3.278 2.462 0.816 1
1 243 . 18 1 1 A 28 28 LEU CB C 28 40.486 41.234 -0.748 1
1 256 . 18 1 1 A 28 28 LEU C C 28 177.276 178.351 -1.075 1
1 257 . 18 1 1 A 29 29 ILE N N 29 120.611 120.146 0.465 1
1 258 . 18 1 1 A 29 29 ILE H H 29 8.285 8.190 0.095 1
1 259 . 18 1 1 A 29 29 ILE CA C 29 65.036 65.338 -0.302 1
1 260 . 18 1 1 A 29 29 ILE HA H 29 3.727 3.619 0.108 1
1 261 . 18 1 1 A 29 29 ILE CB C 29 37.616 37.787 -0.171 1
1 274 . 18 1 1 A 29 29 ILE C C 29 179.149 178.013 1.136 1
1 275 . 18 1 1 A 30 30 VAL N N 30 119.090 120.021 -0.931 1
1 276 . 18 1 1 A 30 30 VAL H H 30 7.578 7.825 -0.247 1
1 277 . 18 1 1 A 30 30 VAL CA C 30 66.753 65.992 0.761 1
1 278 . 18 1 1 A 30 30 VAL HA H 30 3.469 3.731 -0.262 1
1 279 . 18 1 1 A 30 30 VAL CB C 30 31.959 31.464 0.495 1
1 289 . 18 1 1 A 30 30 VAL C C 30 179.079 178.279 0.800 1
1 290 . 18 1 1 A 31 31 HIS N N 31 119.088 121.064 -1.976 1
1 291 . 18 1 1 A 31 31 HIS H H 31 7.441 8.148 -0.707 1
1 292 . 18 1 1 A 31 31 HIS CA C 31 59.210 58.747 0.463 1
1 293 . 18 1 1 A 31 31 HIS HA H 31 4.197 4.272 -0.075 1
1 294 . 18 1 1 A 31 31 HIS CB C 31 28.110 30.153 -2.043 1
1 301 . 18 1 1 A 31 31 HIS C C 31 178.149 177.033 1.116 1
1 302 . 18 1 1 A 32 32 GLN N N 32 120.672 117.755 2.917 1
1 303 . 18 1 1 A 32 32 GLN H H 32 8.973 8.692 0.281 1
1 304 . 18 1 1 A 32 32 GLN CA C 32 59.954 59.123 0.831 1
1 305 . 18 1 1 A 32 32 GLN HA H 32 3.620 3.894 -0.274 1
1 306 . 18 1 1 A 32 32 GLN CB C 32 28.132 28.310 -0.178 1
1 315 . 18 1 1 A 32 32 GLN C C 32 177.938 178.693 -0.755 1
1 316 . 18 1 1 A 33 33 ARG N N 33 117.768 118.407 -0.639 1
1 317 . 18 1 1 A 33 33 ARG H H 33 7.323 7.720 -0.397 1
1 318 . 18 1 1 A 33 33 ARG CA C 33 58.576 58.554 0.022 1
1 319 . 18 1 1 A 33 33 ARG HA H 33 4.171 4.070 0.101 1
1 320 . 18 1 1 A 33 33 ARG CB C 33 30.016 29.782 0.234 1
1 329 . 18 1 1 A 33 33 ARG C C 33 178.202 177.740 0.462 1
1 330 . 18 1 1 A 34 34 THR N N 34 109.590 110.252 -0.662 1
1 331 . 18 1 1 A 34 34 THR H H 34 7.812 8.171 -0.359 1
1 332 . 18 1 1 A 34 34 THR CA C 34 63.867 64.718 -0.851 1
1 333 . 18 1 1 A 34 34 THR HA H 34 4.113 4.067 0.046 1
1 334 . 18 1 1 A 34 34 THR CB C 34 69.435 68.290 1.145 1
1 340 . 18 1 1 A 34 34 THR C C 34 175.584 175.405 0.179 1
1 341 . 18 1 1 A 35 35 HIS N N 35 118.698 118.893 -0.195 1
1 342 . 18 1 1 A 35 35 HIS H H 35 7.187 7.611 -0.424 1
1 343 . 18 1 1 A 35 35 HIS CA C 35 55.498 54.297 1.201 1
1 344 . 18 1 1 A 35 35 HIS HA H 35 4.864 4.702 0.162 1
1 345 . 18 1 1 A 35 35 HIS CB C 35 28.676 27.087 1.589 1
1 352 . 18 1 1 A 35 35 HIS C C 35 175.584 175.180 0.404 1
1 353 . 18 1 1 A 36 36 THR N N 36 112.399 113.825 -1.426 1
1 354 . 18 1 1 A 36 36 THR H H 36 7.811 8.778 -0.967 1
1 355 . 18 1 1 A 36 36 THR CA C 36 62.362 63.471 -1.109 1
1 356 . 18 1 1 A 36 36 THR HA H 36 4.358 4.535 -0.177 1
1 357 . 18 1 1 A 36 36 THR CB C 36 69.845 71.666 -1.821 1
1 363 . 18 1 1 A 36 36 THR C C 36 175.377 174.531 0.846 1
1 364 . 18 1 1 A 37 37 GLY N N 37 111.020 109.095 1.925 1
1 365 . 18 1 1 A 37 37 GLY H H 37 8.446 7.553 0.893 1
1 366 . 18 1 1 A 37 37 GLY CA C 37 45.083 45.764 -0.681 1
1 367 . 18 1 1 A 37 37 GLY HA2 H 37 3.985 4.101 -0.116 1
1 368 . 18 1 1 A 37 37 GLY HA3 H 37 3.985 4.101 -0.116 1
1 369 . 18 1 1 A 37 37 GLY C C 37 174.005 174.504 -0.499 1
1 370 . 18 1 1 A 38 38 GLU N N 38 120.659 121.264 -0.605 1
1 371 . 18 1 1 A 38 38 GLU H H 38 8.132 8.573 -0.441 1
1 372 . 18 1 1 A 38 38 GLU CA C 38 56.441 57.465 -1.024 1
1 373 . 18 1 1 A 38 38 GLU HA H 38 4.240 3.911 0.329 1
1 374 . 18 1 1 A 38 38 GLU CB C 38 30.497 28.634 1.863 1
1 380 . 18 1 1 A 38 38 GLU C C 38 176.239 175.138 1.101 1
1 381 . 18 1 1 A 39 39 LYS N N 39 123.933 114.772 9.161 1
1 382 . 18 1 1 A 39 39 LYS H H 39 8.428 7.657 0.771 1
1 383 . 18 1 1 A 39 39 LYS CA C 39 54.087 53.428 0.659 1
1 384 . 18 1 1 A 39 39 LYS HA H 39 4.601 4.958 -0.357 1
1 385 . 18 1 1 A 39 39 LYS CB C 39 32.513 34.678 -2.165 1
1 397 . 18 1 1 A 39 39 LYS C C 39 174.467 174.367 0.100 1
1 398 . 18 1 1 A 40 40 PRO CA C 40 63.220 62.912 0.308 1
1 399 . 18 1 1 A 40 40 PRO HA H 40 4.446 4.393 0.053 1
1 400 . 18 1 1 A 40 40 PRO CB C 40 32.146 32.120 0.026 1
1 409 . 18 1 1 A 40 40 PRO C C 40 176.972 177.003 -0.031 1
1 410 . 18 1 1 A 41 41 SER N N 41 116.493 118.345 -1.852 1
1 411 . 18 1 1 A 41 41 SER H H 41 8.462 8.502 -0.040 1
1 412 . 18 1 1 A 41 41 SER CA C 41 58.320 59.129 -0.809 1
1 413 . 18 1 1 A 41 41 SER HA H 41 4.470 4.258 0.212 1
1 414 . 18 1 1 A 41 41 SER CB C 41 64.163 63.233 0.930 1
1 417 . 18 1 1 A 41 41 SER C C 41 174.635 174.529 0.106 1
1 418 . 18 1 1 A 42 42 GLY CA C 42 44.675 44.009 0.666 1
1 419 . 18 1 1 A 42 42 GLY HA2 H 42 4.151 4.118 0.033 1
1 420 . 18 1 1 A 42 42 GLY HA3 H 42 4.095 4.119 -0.024 1
1 421 . 18 1 1 A 43 43 PRO CA C 43 63.213 63.889 -0.676 1
1 422 . 18 1 1 A 43 43 PRO HA H 43 4.476 4.475 0.001 1
1 423 . 18 1 1 A 43 43 PRO CB C 43 32.217 31.557 0.660 1
1 432 . 18 1 1 A 45 45 SER CA C 45 58.359 56.325 2.034 1
1 433 . 18 1 1 A 45 45 SER HA H 45 4.496 4.844 -0.348 1
1 434 . 18 1 1 A 45 45 SER CB C 45 64.036 62.677 1.359 1
1 437 . 18 1 1 A 45 45 SER C C 45 173.895 174.719 -0.824 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.428 46.690 -1.262 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.049 3.725 0.324 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.049 3.726 0.323 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.518 174.690 -0.172 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.808 114.161 -1.353 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.145 8.003 0.142 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.842 59.663 2.179 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.361 5.017 -0.656 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.802 71.551 -1.749 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.285 174.604 0.681 1
1 16 . 19 1 1 A 9 9 GLY N N 9 110.918 109.172 1.746 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.318 8.119 0.199 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.316 44.457 0.859 1
1 19 . 19 1 1 A 9 9 GLY HA2 H 9 3.961 4.040 -0.079 1
1 20 . 19 1 1 A 9 9 GLY HA3 H 9 3.961 4.043 -0.082 1
1 21 . 19 1 1 A 10 10 GLU N N 10 120.269 121.650 -1.381 1
1 22 . 19 1 1 A 10 10 GLU H H 10 8.223 8.677 -0.454 1
1 23 . 19 1 1 A 10 10 GLU CA C 10 56.774 55.671 1.103 1
1 24 . 19 1 1 A 10 10 GLU HA H 10 4.196 4.553 -0.357 1
1 25 . 19 1 1 A 10 10 GLU CB C 10 30.450 30.065 0.385 1
1 31 . 19 1 1 A 10 10 GLU C C 10 176.312 176.152 0.160 1
1 32 . 19 1 1 A 11 11 LYS N N 11 121.676 121.106 0.570 1
1 33 . 19 1 1 A 11 11 LYS H H 11 8.287 7.321 0.966 1
1 34 . 19 1 1 A 11 11 LYS CA C 11 53.916 53.128 0.788 1
1 35 . 19 1 1 A 11 11 LYS HA H 11 4.497 4.645 -0.148 1
1 36 . 19 1 1 A 11 11 LYS CB C 11 32.952 33.302 -0.350 1
1 48 . 19 1 1 A 11 11 LYS C C 11 174.005 176.294 -2.289 1
1 49 . 19 1 1 A 12 12 PRO CA C 12 63.420 64.435 -1.015 1
1 50 . 19 1 1 A 12 12 PRO HA H 12 4.272 4.291 -0.019 1
1 51 . 19 1 1 A 12 12 PRO CB C 12 32.270 31.638 0.632 1
1 60 . 19 1 1 A 12 12 PRO C C 12 176.312 176.072 0.240 1
1 61 . 19 1 1 A 13 13 PHE N N 13 118.211 118.178 0.033 1
1 62 . 19 1 1 A 13 13 PHE H H 13 8.097 7.687 0.410 1
1 63 . 19 1 1 A 13 13 PHE CA C 13 57.267 56.651 0.616 1
1 64 . 19 1 1 A 13 13 PHE HA H 13 4.640 5.117 -0.477 1
1 65 . 19 1 1 A 13 13 PHE CB C 13 39.302 40.413 -1.111 1
1 78 . 19 1 1 A 13 13 PHE C C 13 174.594 174.297 0.297 1
1 79 . 19 1 1 A 14 14 GLU N N 14 124.060 124.668 -0.608 1
1 80 . 19 1 1 A 14 14 GLU H H 14 8.568 9.050 -0.482 1
1 81 . 19 1 1 A 14 14 GLU CA C 14 55.291 54.752 0.539 1
1 82 . 19 1 1 A 14 14 GLU HA H 14 4.849 5.691 -0.842 1
1 83 . 19 1 1 A 14 14 GLU CB C 14 32.713 33.295 -0.582 1
1 89 . 19 1 1 A 14 14 GLU C C 14 175.419 174.949 0.470 1
1 90 . 19 1 1 A 15 15 CYS N N 15 126.818 125.599 1.219 1
1 91 . 19 1 1 A 15 15 CYS H H 15 9.101 9.188 -0.087 1
1 92 . 19 1 1 A 15 15 CYS CA C 15 59.631 59.383 0.248 1
1 93 . 19 1 1 A 15 15 CYS HA H 15 4.558 4.616 -0.058 1
1 94 . 19 1 1 A 15 15 CYS CB C 15 29.865 28.817 1.048 1
1 97 . 19 1 1 A 15 15 CYS C C 15 176.885 174.846 2.039 1
1 98 . 19 1 1 A 16 16 SER N N 16 112.930 118.019 -5.089 1
1 99 . 19 1 1 A 16 16 SER H H 16 9.124 8.905 0.219 1
1 100 . 19 1 1 A 16 16 SER CA C 16 60.826 59.486 1.340 1
1 101 . 19 1 1 A 16 16 SER HA H 16 4.356 4.741 -0.385 1
1 102 . 19 1 1 A 16 16 SER CB C 16 63.144 64.992 -1.848 1
1 105 . 19 1 1 A 16 16 SER C C 16 174.769 174.933 -0.164 1
1 106 . 19 1 1 A 17 17 GLU N N 17 123.223 120.857 2.366 1
1 107 . 19 1 1 A 17 17 GLU H H 17 8.865 8.133 0.732 1
1 108 . 19 1 1 A 17 17 GLU CA C 17 57.918 58.667 -0.749 1
1 109 . 19 1 1 A 17 17 GLU HA H 17 4.287 4.176 0.111 1
1 110 . 19 1 1 A 17 17 GLU CB C 17 29.917 29.997 -0.080 1
1 116 . 19 1 1 A 17 17 GLU C C 17 176.999 178.475 -1.476 1
1 117 . 19 1 1 A 18 18 CYS N N 18 116.163 115.393 0.770 1
1 118 . 19 1 1 A 18 18 CYS H H 18 7.875 7.835 0.040 1
1 119 . 19 1 1 A 18 18 CYS CA C 18 58.661 59.377 -0.716 1
1 120 . 19 1 1 A 18 18 CYS HA H 18 5.031 4.503 0.528 1
1 121 . 19 1 1 A 18 18 CYS CB C 18 31.745 29.025 2.720 1
1 124 . 19 1 1 A 18 18 CYS C C 18 174.845 174.600 0.245 1
1 125 . 19 1 1 A 19 19 GLN N N 19 116.345 116.689 -0.344 1
1 126 . 19 1 1 A 19 19 GLN H H 19 8.133 7.984 0.149 1
1 127 . 19 1 1 A 19 19 GLN CA C 19 58.722 56.825 1.897 1
1 128 . 19 1 1 A 19 19 GLN HA H 19 4.117 3.892 0.225 1
1 129 . 19 1 1 A 19 19 GLN CB C 19 26.290 26.231 0.059 1
1 138 . 19 1 1 A 19 19 GLN C C 19 174.950 174.296 0.654 1
1 139 . 19 1 1 A 20 20 LYS N N 20 121.633 119.685 1.948 1
1 140 . 19 1 1 A 20 20 LYS H H 20 7.934 7.985 -0.051 1
1 141 . 19 1 1 A 20 20 LYS CA C 20 57.862 55.888 1.974 1
1 142 . 19 1 1 A 20 20 LYS HA H 20 4.083 4.507 -0.424 1
1 143 . 19 1 1 A 20 20 LYS CB C 20 34.143 33.886 0.257 1
1 155 . 19 1 1 A 20 20 LYS C C 20 173.968 175.586 -1.618 1
1 156 . 19 1 1 A 21 21 ALA N N 21 123.578 125.957 -2.379 1
1 157 . 19 1 1 A 21 21 ALA H H 21 7.807 8.312 -0.505 1
1 158 . 19 1 1 A 21 21 ALA CA C 21 50.538 50.988 -0.450 1
1 159 . 19 1 1 A 21 21 ALA HA H 21 5.067 5.236 -0.169 1
1 160 . 19 1 1 A 21 21 ALA CB C 21 22.260 20.827 1.433 1
1 164 . 19 1 1 A 21 21 ALA C C 21 176.143 176.580 -0.437 1
1 165 . 19 1 1 A 22 22 PHE N N 22 116.532 118.302 -1.770 1
1 166 . 19 1 1 A 22 22 PHE H H 22 8.637 8.828 -0.191 1
1 167 . 19 1 1 A 22 22 PHE CA C 22 57.465 56.548 0.917 1
1 168 . 19 1 1 A 22 22 PHE HA H 22 4.665 4.967 -0.302 1
1 169 . 19 1 1 A 22 22 PHE CB C 22 43.945 44.078 -0.133 1
1 182 . 19 1 1 A 22 22 PHE C C 22 175.082 175.739 -0.657 1
1 183 . 19 1 1 A 23 23 ASN CA C 23 55.192 55.559 -0.367 1
1 184 . 19 1 1 A 23 23 ASN HA H 23 4.880 5.001 -0.121 1
1 185 . 19 1 1 A 23 23 ASN CB C 23 39.136 40.351 -1.215 1
1 191 . 19 1 1 A 23 23 ASN C C 23 175.375 175.503 -0.128 1
1 192 . 19 1 1 A 24 24 THR N N 24 120.293 111.584 8.709 1
1 193 . 19 1 1 A 24 24 THR H H 24 7.421 7.687 -0.266 1
1 194 . 19 1 1 A 24 24 THR CA C 24 58.831 58.718 0.113 1
1 195 . 19 1 1 A 24 24 THR HA H 24 4.637 4.320 0.317 1
1 196 . 19 1 1 A 24 24 THR CB C 24 72.609 71.609 1.000 1
1 202 . 19 1 1 A 24 24 THR C C 24 173.507 174.380 -0.873 1
1 203 . 19 1 1 A 25 25 LYS N N 25 124.488 122.247 2.241 1
1 204 . 19 1 1 A 25 25 LYS H H 25 8.175 7.947 0.228 1
1 205 . 19 1 1 A 25 25 LYS CA C 25 58.622 59.946 -1.324 1
1 206 . 19 1 1 A 25 25 LYS HA H 25 3.105 3.304 -0.199 1
1 207 . 19 1 1 A 25 25 LYS CB C 25 31.613 32.026 -0.413 1
1 219 . 19 1 1 A 25 25 LYS C C 25 178.363 178.037 0.326 1
1 220 . 19 1 1 A 26 26 SER N N 26 112.511 115.616 -3.105 1
1 221 . 19 1 1 A 26 26 SER H H 26 8.248 7.982 0.266 1
1 222 . 19 1 1 A 26 26 SER CA C 26 61.540 61.700 -0.160 1
1 223 . 19 1 1 A 26 26 SER HA H 26 3.962 4.039 -0.077 1
1 224 . 19 1 1 A 26 26 SER CB C 26 62.203 62.633 -0.430 1
1 227 . 19 1 1 A 26 26 SER C C 26 176.506 176.677 -0.171 1
1 228 . 19 1 1 A 27 27 ASN N N 27 118.519 120.714 -2.195 1
1 229 . 19 1 1 A 27 27 ASN H H 27 7.575 8.045 -0.470 1
1 230 . 19 1 1 A 27 27 ASN CA C 27 55.248 56.280 -1.032 1
1 231 . 19 1 1 A 27 27 ASN HA H 27 4.432 4.426 0.006 1
1 232 . 19 1 1 A 27 27 ASN CB C 27 37.796 38.108 -0.312 1
1 238 . 19 1 1 A 27 27 ASN C C 27 177.845 177.646 0.199 1
1 239 . 19 1 1 A 28 28 LEU N N 28 123.404 121.275 2.129 1
1 240 . 19 1 1 A 28 28 LEU H H 28 7.347 7.553 -0.206 1
1 241 . 19 1 1 A 28 28 LEU CA C 28 58.281 57.942 0.339 1
1 242 . 19 1 1 A 28 28 LEU HA H 28 3.278 2.666 0.612 1
1 243 . 19 1 1 A 28 28 LEU CB C 28 40.486 41.386 -0.900 1
1 256 . 19 1 1 A 28 28 LEU C C 28 177.276 178.488 -1.212 1
1 257 . 19 1 1 A 29 29 ILE N N 29 120.611 119.980 0.631 1
1 258 . 19 1 1 A 29 29 ILE H H 29 8.285 8.149 0.136 1
1 259 . 19 1 1 A 29 29 ILE CA C 29 65.036 65.338 -0.302 1
1 260 . 19 1 1 A 29 29 ILE HA H 29 3.727 3.576 0.151 1
1 261 . 19 1 1 A 29 29 ILE CB C 29 37.616 37.798 -0.182 1
1 274 . 19 1 1 A 29 29 ILE C C 29 179.149 178.247 0.902 1
1 275 . 19 1 1 A 30 30 VAL N N 30 119.090 119.917 -0.827 1
1 276 . 19 1 1 A 30 30 VAL H H 30 7.578 7.861 -0.283 1
1 277 . 19 1 1 A 30 30 VAL CA C 30 66.753 66.069 0.684 1
1 278 . 19 1 1 A 30 30 VAL HA H 30 3.469 3.700 -0.231 1
1 279 . 19 1 1 A 30 30 VAL CB C 30 31.959 31.629 0.330 1
1 289 . 19 1 1 A 30 30 VAL C C 30 179.079 178.453 0.626 1
1 290 . 19 1 1 A 31 31 HIS N N 31 119.088 120.658 -1.570 1
1 291 . 19 1 1 A 31 31 HIS H H 31 7.441 8.138 -0.697 1
1 292 . 19 1 1 A 31 31 HIS CA C 31 59.210 59.053 0.157 1
1 293 . 19 1 1 A 31 31 HIS HA H 31 4.197 4.187 0.010 1
1 294 . 19 1 1 A 31 31 HIS CB C 31 28.110 30.123 -2.013 1
1 301 . 19 1 1 A 31 31 HIS C C 31 178.149 176.973 1.176 1
1 302 . 19 1 1 A 32 32 GLN N N 32 120.672 117.591 3.081 1
1 303 . 19 1 1 A 32 32 GLN H H 32 8.973 8.606 0.367 1
1 304 . 19 1 1 A 32 32 GLN CA C 32 59.954 59.279 0.675 1
1 305 . 19 1 1 A 32 32 GLN HA H 32 3.620 3.877 -0.257 1
1 306 . 19 1 1 A 32 32 GLN CB C 32 28.132 28.212 -0.080 1
1 315 . 19 1 1 A 32 32 GLN C C 32 177.938 178.389 -0.451 1
1 316 . 19 1 1 A 33 33 ARG N N 33 117.768 118.083 -0.315 1
1 317 . 19 1 1 A 33 33 ARG H H 33 7.323 7.859 -0.536 1
1 318 . 19 1 1 A 33 33 ARG CA C 33 58.576 58.446 0.130 1
1 319 . 19 1 1 A 33 33 ARG HA H 33 4.171 4.056 0.115 1
1 320 . 19 1 1 A 33 33 ARG CB C 33 30.016 30.246 -0.230 1
1 329 . 19 1 1 A 33 33 ARG C C 33 178.202 177.735 0.467 1
1 330 . 19 1 1 A 34 34 THR N N 34 109.590 110.788 -1.198 1
1 331 . 19 1 1 A 34 34 THR H H 34 7.812 8.416 -0.604 1
1 332 . 19 1 1 A 34 34 THR CA C 34 63.867 65.757 -1.890 1
1 333 . 19 1 1 A 34 34 THR HA H 34 4.113 4.002 0.111 1
1 334 . 19 1 1 A 34 34 THR CB C 34 69.435 67.947 1.488 1
1 340 . 19 1 1 A 34 34 THR C C 34 175.584 177.053 -1.469 1
1 341 . 19 1 1 A 35 35 HIS N N 35 118.698 119.065 -0.367 1
1 342 . 19 1 1 A 35 35 HIS H H 35 7.187 7.286 -0.099 1
1 343 . 19 1 1 A 35 35 HIS CA C 35 55.498 58.830 -3.332 1
1 344 . 19 1 1 A 35 35 HIS HA H 35 4.864 4.329 0.535 1
1 345 . 19 1 1 A 35 35 HIS CB C 35 28.676 29.912 -1.236 1
1 352 . 19 1 1 A 35 35 HIS C C 35 175.584 176.329 -0.745 1
1 353 . 19 1 1 A 36 36 THR N N 36 112.399 112.216 0.183 1
1 354 . 19 1 1 A 36 36 THR H H 36 7.811 7.711 0.100 1
1 355 . 19 1 1 A 36 36 THR CA C 36 62.362 61.599 0.763 1
1 356 . 19 1 1 A 36 36 THR HA H 36 4.358 4.485 -0.127 1
1 357 . 19 1 1 A 36 36 THR CB C 36 69.845 69.424 0.421 1
1 363 . 19 1 1 A 36 36 THR C C 36 175.377 174.360 1.017 1
1 364 . 19 1 1 A 37 37 GLY N N 37 111.020 114.653 -3.633 1
1 365 . 19 1 1 A 37 37 GLY H H 37 8.446 8.777 -0.331 1
1 366 . 19 1 1 A 37 37 GLY CA C 37 45.083 44.883 0.200 1
1 367 . 19 1 1 A 37 37 GLY HA2 H 37 3.985 4.197 -0.212 1
1 368 . 19 1 1 A 37 37 GLY HA3 H 37 3.985 4.200 -0.215 1
1 369 . 19 1 1 A 37 37 GLY C C 37 174.005 172.005 2.000 1
1 370 . 19 1 1 A 38 38 GLU N N 38 120.659 124.955 -4.296 1
1 371 . 19 1 1 A 38 38 GLU H H 38 8.132 9.129 -0.997 1
1 372 . 19 1 1 A 38 38 GLU CA C 38 56.441 55.188 1.253 1
1 373 . 19 1 1 A 38 38 GLU HA H 38 4.240 5.205 -0.965 1
1 374 . 19 1 1 A 38 38 GLU CB C 38 30.497 33.660 -3.163 1
1 380 . 19 1 1 A 38 38 GLU C C 38 176.239 174.552 1.687 1
1 381 . 19 1 1 A 39 39 LYS N N 39 123.933 126.334 -2.401 1
1 382 . 19 1 1 A 39 39 LYS H H 39 8.428 8.803 -0.375 1
1 383 . 19 1 1 A 39 39 LYS CA C 39 54.087 52.997 1.090 1
1 384 . 19 1 1 A 39 39 LYS HA H 39 4.601 4.787 -0.186 1
1 385 . 19 1 1 A 39 39 LYS CB C 39 32.513 36.626 -4.113 1
1 397 . 19 1 1 A 39 39 LYS C C 39 174.467 174.481 -0.014 1
1 398 . 19 1 1 A 40 40 PRO CA C 40 63.220 62.271 0.949 1
1 399 . 19 1 1 A 40 40 PRO HA H 40 4.446 4.571 -0.125 1
1 400 . 19 1 1 A 40 40 PRO CB C 40 32.146 33.115 -0.969 1
1 409 . 19 1 1 A 40 40 PRO C C 40 176.972 177.463 -0.491 1
1 410 . 19 1 1 A 41 41 SER N N 41 116.493 116.917 -0.424 1
1 411 . 19 1 1 A 41 41 SER H H 41 8.462 8.677 -0.215 1
1 412 . 19 1 1 A 41 41 SER CA C 41 58.320 61.624 -3.304 1
1 413 . 19 1 1 A 41 41 SER HA H 41 4.470 4.130 0.340 1
1 414 . 19 1 1 A 41 41 SER CB C 41 64.163 63.257 0.906 1
1 417 . 19 1 1 A 41 41 SER C C 41 174.635 175.440 -0.805 1
1 418 . 19 1 1 A 42 42 GLY CA C 42 44.675 46.147 -1.472 1
1 419 . 19 1 1 A 42 42 GLY HA2 H 42 4.151 3.923 0.228 1
1 420 . 19 1 1 A 42 42 GLY HA3 H 42 4.095 3.923 0.172 1
1 421 . 19 1 1 A 43 43 PRO CA C 43 63.213 63.712 -0.499 1
1 422 . 19 1 1 A 43 43 PRO HA H 43 4.476 4.502 -0.026 1
1 423 . 19 1 1 A 43 43 PRO CB C 43 32.217 31.815 0.402 1
1 432 . 19 1 1 A 45 45 SER CA C 45 58.359 57.232 1.127 1
1 433 . 19 1 1 A 45 45 SER HA H 45 4.496 4.686 -0.190 1
1 434 . 19 1 1 A 45 45 SER CB C 45 64.036 63.921 0.115 1
1 437 . 19 1 1 A 45 45 SER C C 45 173.895 174.979 -1.084 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.428 45.541 -0.113 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.049 4.168 -0.119 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.049 4.170 -0.121 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.518 174.273 0.245 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.808 116.518 -3.710 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.145 8.376 -0.231 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.842 62.052 -0.210 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.361 4.231 0.130 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.802 69.936 -0.134 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.285 176.093 -0.808 1
1 16 . 20 1 1 A 9 9 GLY N N 9 110.918 110.039 0.879 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.318 8.777 -0.459 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.316 47.265 -1.949 1
1 19 . 20 1 1 A 9 9 GLY HA2 H 9 3.961 3.829 0.132 1
1 20 . 20 1 1 A 9 9 GLY HA3 H 9 3.961 3.836 0.125 1
1 21 . 20 1 1 A 10 10 GLU N N 10 120.269 119.406 0.863 1
1 22 . 20 1 1 A 10 10 GLU H H 10 8.223 8.253 -0.030 1
1 23 . 20 1 1 A 10 10 GLU CA C 10 56.774 57.377 -0.603 1
1 24 . 20 1 1 A 10 10 GLU HA H 10 4.196 3.959 0.237 1
1 25 . 20 1 1 A 10 10 GLU CB C 10 30.450 28.270 2.180 1
1 31 . 20 1 1 A 10 10 GLU C C 10 176.312 175.069 1.243 1
1 32 . 20 1 1 A 11 11 LYS N N 11 121.676 119.075 2.601 1
1 33 . 20 1 1 A 11 11 LYS H H 11 8.287 7.969 0.318 1
1 34 . 20 1 1 A 11 11 LYS CA C 11 53.916 53.035 0.881 1
1 35 . 20 1 1 A 11 11 LYS HA H 11 4.497 4.798 -0.301 1
1 36 . 20 1 1 A 11 11 LYS CB C 11 32.952 33.702 -0.750 1
1 48 . 20 1 1 A 11 11 LYS C C 11 174.005 176.243 -2.238 1
1 49 . 20 1 1 A 12 12 PRO CA C 12 63.420 64.261 -0.841 1
1 50 . 20 1 1 A 12 12 PRO HA H 12 4.272 4.287 -0.015 1
1 51 . 20 1 1 A 12 12 PRO CB C 12 32.270 31.588 0.682 1
1 60 . 20 1 1 A 12 12 PRO C C 12 176.312 175.975 0.337 1
1 61 . 20 1 1 A 13 13 PHE N N 13 118.211 118.223 -0.012 1
1 62 . 20 1 1 A 13 13 PHE H H 13 8.097 7.573 0.524 1
1 63 . 20 1 1 A 13 13 PHE CA C 13 57.267 56.759 0.508 1
1 64 . 20 1 1 A 13 13 PHE HA H 13 4.640 5.292 -0.652 1
1 65 . 20 1 1 A 13 13 PHE CB C 13 39.302 42.138 -2.836 1
1 78 . 20 1 1 A 13 13 PHE C C 13 174.594 174.298 0.296 1
1 79 . 20 1 1 A 14 14 GLU N N 14 124.060 123.862 0.198 1
1 80 . 20 1 1 A 14 14 GLU H H 14 8.568 8.898 -0.330 1
1 81 . 20 1 1 A 14 14 GLU CA C 14 55.291 54.875 0.416 1
1 82 . 20 1 1 A 14 14 GLU HA H 14 4.849 5.495 -0.646 1
1 83 . 20 1 1 A 14 14 GLU CB C 14 32.713 33.695 -0.982 1
1 89 . 20 1 1 A 14 14 GLU C C 14 175.419 174.478 0.941 1
1 90 . 20 1 1 A 15 15 CYS N N 15 126.818 124.364 2.454 1
1 91 . 20 1 1 A 15 15 CYS H H 15 9.101 9.319 -0.218 1
1 92 . 20 1 1 A 15 15 CYS CA C 15 59.631 58.821 0.810 1
1 93 . 20 1 1 A 15 15 CYS HA H 15 4.558 4.699 -0.141 1
1 94 . 20 1 1 A 15 15 CYS CB C 15 29.865 29.085 0.780 1
1 97 . 20 1 1 A 15 15 CYS C C 15 176.885 175.737 1.148 1
1 98 . 20 1 1 A 16 16 SER N N 16 112.930 117.351 -4.421 1
1 99 . 20 1 1 A 16 16 SER H H 16 9.124 8.474 0.650 1
1 100 . 20 1 1 A 16 16 SER CA C 16 60.826 58.770 2.056 1
1 101 . 20 1 1 A 16 16 SER HA H 16 4.356 4.565 -0.209 1
1 102 . 20 1 1 A 16 16 SER CB C 16 63.144 64.404 -1.260 1
1 105 . 20 1 1 A 16 16 SER C C 16 174.769 176.326 -1.557 1
1 106 . 20 1 1 A 17 17 GLU N N 17 123.223 121.294 1.929 1
1 107 . 20 1 1 A 17 17 GLU H H 17 8.865 8.083 0.782 1
1 108 . 20 1 1 A 17 17 GLU CA C 17 57.918 58.754 -0.836 1
1 109 . 20 1 1 A 17 17 GLU HA H 17 4.287 3.988 0.299 1
1 110 . 20 1 1 A 17 17 GLU CB C 17 29.917 29.684 0.233 1
1 116 . 20 1 1 A 17 17 GLU C C 17 176.999 178.207 -1.208 1
1 117 . 20 1 1 A 18 18 CYS N N 18 116.163 115.139 1.024 1
1 118 . 20 1 1 A 18 18 CYS H H 18 7.875 7.854 0.021 1
1 119 . 20 1 1 A 18 18 CYS CA C 18 58.661 59.130 -0.469 1
1 120 . 20 1 1 A 18 18 CYS HA H 18 5.031 4.525 0.506 1
1 121 . 20 1 1 A 18 18 CYS CB C 18 31.745 29.125 2.620 1
1 124 . 20 1 1 A 18 18 CYS C C 18 174.845 174.683 0.162 1
1 125 . 20 1 1 A 19 19 GLN N N 19 116.345 116.559 -0.214 1
1 126 . 20 1 1 A 19 19 GLN H H 19 8.133 7.978 0.155 1
1 127 . 20 1 1 A 19 19 GLN CA C 19 58.722 57.099 1.623 1
1 128 . 20 1 1 A 19 19 GLN HA H 19 4.117 4.104 0.013 1
1 129 . 20 1 1 A 19 19 GLN CB C 19 26.290 26.347 -0.057 1
1 138 . 20 1 1 A 19 19 GLN C C 19 174.950 174.322 0.628 1
1 139 . 20 1 1 A 20 20 LYS N N 20 121.633 119.707 1.926 1
1 140 . 20 1 1 A 20 20 LYS H H 20 7.934 7.459 0.475 1
1 141 . 20 1 1 A 20 20 LYS CA C 20 57.862 56.158 1.704 1
1 142 . 20 1 1 A 20 20 LYS HA H 20 4.083 4.391 -0.308 1
1 143 . 20 1 1 A 20 20 LYS CB C 20 34.143 33.855 0.288 1
1 155 . 20 1 1 A 20 20 LYS C C 20 173.968 175.568 -1.600 1
1 156 . 20 1 1 A 21 21 ALA N N 21 123.578 126.415 -2.837 1
1 157 . 20 1 1 A 21 21 ALA H H 21 7.807 8.335 -0.528 1
1 158 . 20 1 1 A 21 21 ALA CA C 21 50.538 51.295 -0.757 1
1 159 . 20 1 1 A 21 21 ALA HA H 21 5.067 5.085 -0.018 1
1 160 . 20 1 1 A 21 21 ALA CB C 21 22.260 20.793 1.467 1
1 164 . 20 1 1 A 21 21 ALA C C 21 176.143 176.717 -0.574 1
1 165 . 20 1 1 A 22 22 PHE N N 22 116.532 117.808 -1.276 1
1 166 . 20 1 1 A 22 22 PHE H H 22 8.637 8.783 -0.146 1
1 167 . 20 1 1 A 22 22 PHE CA C 22 57.465 56.609 0.856 1
1 168 . 20 1 1 A 22 22 PHE HA H 22 4.665 4.939 -0.274 1
1 169 . 20 1 1 A 22 22 PHE CB C 22 43.945 43.745 0.200 1
1 182 . 20 1 1 A 22 22 PHE C C 22 175.082 175.552 -0.470 1
1 183 . 20 1 1 A 23 23 ASN CA C 23 55.192 55.040 0.152 1
1 184 . 20 1 1 A 23 23 ASN HA H 23 4.880 4.889 -0.009 1
1 185 . 20 1 1 A 23 23 ASN CB C 23 39.136 39.478 -0.342 1
1 191 . 20 1 1 A 23 23 ASN C C 23 175.375 175.606 -0.231 1
1 192 . 20 1 1 A 24 24 THR N N 24 120.293 108.258 12.035 1
1 193 . 20 1 1 A 24 24 THR H H 24 7.421 7.723 -0.302 1
1 194 . 20 1 1 A 24 24 THR CA C 24 58.831 58.985 -0.154 1
1 195 . 20 1 1 A 24 24 THR HA H 24 4.637 4.472 0.165 1
1 196 . 20 1 1 A 24 24 THR CB C 24 72.609 71.858 0.751 1
1 202 . 20 1 1 A 24 24 THR C C 24 173.507 174.541 -1.034 1
1 203 . 20 1 1 A 25 25 LYS N N 25 124.488 122.351 2.137 1
1 204 . 20 1 1 A 25 25 LYS H H 25 8.175 7.920 0.255 1
1 205 . 20 1 1 A 25 25 LYS CA C 25 58.622 59.156 -0.534 1
1 206 . 20 1 1 A 25 25 LYS HA H 25 3.105 3.279 -0.174 1
1 207 . 20 1 1 A 25 25 LYS CB C 25 31.613 31.536 0.077 1
1 219 . 20 1 1 A 25 25 LYS C C 25 178.363 177.925 0.438 1
1 220 . 20 1 1 A 26 26 SER N N 26 112.511 115.403 -2.892 1
1 221 . 20 1 1 A 26 26 SER H H 26 8.248 8.141 0.107 1
1 222 . 20 1 1 A 26 26 SER CA C 26 61.540 60.984 0.556 1
1 223 . 20 1 1 A 26 26 SER HA H 26 3.962 4.062 -0.100 1
1 224 . 20 1 1 A 26 26 SER CB C 26 62.203 62.465 -0.262 1
1 227 . 20 1 1 A 26 26 SER C C 26 176.506 177.122 -0.616 1
1 228 . 20 1 1 A 27 27 ASN N N 27 118.519 121.141 -2.622 1
1 229 . 20 1 1 A 27 27 ASN H H 27 7.575 7.934 -0.359 1
1 230 . 20 1 1 A 27 27 ASN CA C 27 55.248 56.251 -1.003 1
1 231 . 20 1 1 A 27 27 ASN HA H 27 4.432 4.572 -0.140 1
1 232 . 20 1 1 A 27 27 ASN CB C 27 37.796 38.725 -0.929 1
1 238 . 20 1 1 A 27 27 ASN C C 27 177.845 177.506 0.339 1
1 239 . 20 1 1 A 28 28 LEU N N 28 123.404 121.036 2.368 1
1 240 . 20 1 1 A 28 28 LEU H H 28 7.347 7.374 -0.027 1
1 241 . 20 1 1 A 28 28 LEU CA C 28 58.281 58.068 0.213 1
1 242 . 20 1 1 A 28 28 LEU HA H 28 3.278 3.018 0.260 1
1 243 . 20 1 1 A 28 28 LEU CB C 28 40.486 41.296 -0.810 1
1 256 . 20 1 1 A 28 28 LEU C C 28 177.276 178.585 -1.309 1
1 257 . 20 1 1 A 29 29 ILE N N 29 120.611 120.309 0.302 1
1 258 . 20 1 1 A 29 29 ILE H H 29 8.285 8.375 -0.090 1
1 259 . 20 1 1 A 29 29 ILE CA C 29 65.036 65.212 -0.176 1
1 260 . 20 1 1 A 29 29 ILE HA H 29 3.727 3.589 0.138 1
1 261 . 20 1 1 A 29 29 ILE CB C 29 37.616 37.945 -0.329 1
1 274 . 20 1 1 A 29 29 ILE C C 29 179.149 178.128 1.021 1
1 275 . 20 1 1 A 30 30 VAL N N 30 119.090 120.231 -1.141 1
1 276 . 20 1 1 A 30 30 VAL H H 30 7.578 7.651 -0.073 1
1 277 . 20 1 1 A 30 30 VAL CA C 30 66.753 66.406 0.347 1
1 278 . 20 1 1 A 30 30 VAL HA H 30 3.469 3.606 -0.137 1
1 279 . 20 1 1 A 30 30 VAL CB C 30 31.959 31.619 0.340 1
1 289 . 20 1 1 A 30 30 VAL C C 30 179.079 178.393 0.686 1
1 290 . 20 1 1 A 31 31 HIS N N 31 119.088 120.083 -0.995 1
1 291 . 20 1 1 A 31 31 HIS H H 31 7.441 8.074 -0.633 1
1 292 . 20 1 1 A 31 31 HIS CA C 31 59.210 59.131 0.079 1
1 293 . 20 1 1 A 31 31 HIS HA H 31 4.197 4.225 -0.028 1
1 294 . 20 1 1 A 31 31 HIS CB C 31 28.110 30.243 -2.133 1
1 301 . 20 1 1 A 31 31 HIS C C 31 178.149 176.967 1.182 1
1 302 . 20 1 1 A 32 32 GLN N N 32 120.672 117.337 3.335 1
1 303 . 20 1 1 A 32 32 GLN H H 32 8.973 8.603 0.370 1
1 304 . 20 1 1 A 32 32 GLN CA C 32 59.954 59.317 0.637 1
1 305 . 20 1 1 A 32 32 GLN HA H 32 3.620 3.985 -0.365 1
1 306 . 20 1 1 A 32 32 GLN CB C 32 28.132 28.244 -0.112 1
1 315 . 20 1 1 A 32 32 GLN C C 32 177.938 178.625 -0.687 1
1 316 . 20 1 1 A 33 33 ARG N N 33 117.768 119.387 -1.619 1
1 317 . 20 1 1 A 33 33 ARG H H 33 7.323 7.713 -0.390 1
1 318 . 20 1 1 A 33 33 ARG CA C 33 58.576 59.378 -0.802 1
1 319 . 20 1 1 A 33 33 ARG HA H 33 4.171 3.945 0.226 1
1 320 . 20 1 1 A 33 33 ARG CB C 33 30.016 29.790 0.226 1
1 329 . 20 1 1 A 33 33 ARG C C 33 178.202 179.118 -0.916 1
1 330 . 20 1 1 A 34 34 THR N N 34 109.590 114.762 -5.172 1
1 331 . 20 1 1 A 34 34 THR H H 34 7.812 8.455 -0.643 1
1 332 . 20 1 1 A 34 34 THR CA C 34 63.867 64.243 -0.376 1
1 333 . 20 1 1 A 34 34 THR HA H 34 4.113 3.866 0.247 1
1 334 . 20 1 1 A 34 34 THR CB C 34 69.435 68.689 0.746 1
1 340 . 20 1 1 A 34 34 THR C C 34 175.584 176.016 -0.432 1
1 341 . 20 1 1 A 35 35 HIS N N 35 118.698 117.167 1.531 1
1 342 . 20 1 1 A 35 35 HIS H H 35 7.187 8.155 -0.968 1
1 343 . 20 1 1 A 35 35 HIS CA C 35 55.498 54.684 0.814 1
1 344 . 20 1 1 A 35 35 HIS HA H 35 4.864 4.587 0.277 1
1 345 . 20 1 1 A 35 35 HIS CB C 35 28.676 27.534 1.142 1
1 352 . 20 1 1 A 35 35 HIS C C 35 175.584 174.260 1.324 1
1 353 . 20 1 1 A 36 36 THR N N 36 112.399 114.344 -1.945 1
1 354 . 20 1 1 A 36 36 THR H H 36 7.811 7.953 -0.142 1
1 355 . 20 1 1 A 36 36 THR CA C 36 62.362 60.767 1.595 1
1 356 . 20 1 1 A 36 36 THR HA H 36 4.358 4.485 -0.127 1
1 357 . 20 1 1 A 36 36 THR CB C 36 69.845 70.785 -0.940 1
1 363 . 20 1 1 A 36 36 THR C C 36 175.377 173.202 2.175 1
1 364 . 20 1 1 A 37 37 GLY N N 37 111.020 114.047 -3.027 1
1 365 . 20 1 1 A 37 37 GLY H H 37 8.446 8.321 0.125 1
1 366 . 20 1 1 A 37 37 GLY CA C 37 45.083 45.365 -0.282 1
1 367 . 20 1 1 A 37 37 GLY HA2 H 37 3.985 3.962 0.023 1
1 368 . 20 1 1 A 37 37 GLY HA3 H 37 3.985 3.967 0.018 1
1 369 . 20 1 1 A 37 37 GLY C C 37 174.005 174.474 -0.469 1
1 370 . 20 1 1 A 38 38 GLU N N 38 120.659 119.555 1.104 1
1 371 . 20 1 1 A 38 38 GLU H H 38 8.132 7.899 0.233 1
1 372 . 20 1 1 A 38 38 GLU CA C 38 56.441 55.306 1.135 1
1 373 . 20 1 1 A 38 38 GLU HA H 38 4.240 4.392 -0.152 1
1 374 . 20 1 1 A 38 38 GLU CB C 38 30.497 30.363 0.134 1
1 380 . 20 1 1 A 38 38 GLU C C 38 176.239 176.319 -0.080 1
1 381 . 20 1 1 A 39 39 LYS N N 39 123.933 121.080 2.853 1
1 382 . 20 1 1 A 39 39 LYS H H 39 8.428 8.326 0.102 1
1 383 . 20 1 1 A 39 39 LYS CA C 39 54.087 55.371 -1.284 1
1 384 . 20 1 1 A 39 39 LYS HA H 39 4.601 4.213 0.388 1
1 385 . 20 1 1 A 39 39 LYS CB C 39 32.513 32.211 0.302 1
1 397 . 20 1 1 A 39 39 LYS C C 39 174.467 174.912 -0.445 1
1 398 . 20 1 1 A 40 40 PRO CA C 40 63.220 62.534 0.686 1
1 399 . 20 1 1 A 40 40 PRO HA H 40 4.446 4.642 -0.196 1
1 400 . 20 1 1 A 40 40 PRO CB C 40 32.146 32.455 -0.309 1
1 409 . 20 1 1 A 40 40 PRO C C 40 176.972 176.189 0.783 1
1 410 . 20 1 1 A 41 41 SER N N 41 116.493 113.790 2.703 1
1 411 . 20 1 1 A 41 41 SER H H 41 8.462 8.508 -0.046 1
1 412 . 20 1 1 A 41 41 SER CA C 41 58.320 56.574 1.746 1
1 413 . 20 1 1 A 41 41 SER HA H 41 4.470 5.109 -0.639 1
1 414 . 20 1 1 A 41 41 SER CB C 41 64.163 65.828 -1.665 1
1 417 . 20 1 1 A 41 41 SER C C 41 174.635 173.986 0.649 1
1 418 . 20 1 1 A 42 42 GLY CA C 42 44.675 45.053 -0.378 1
1 419 . 20 1 1 A 42 42 GLY HA2 H 42 4.151 4.473 -0.322 1
1 420 . 20 1 1 A 42 42 GLY HA3 H 42 4.095 4.473 -0.378 1
1 421 . 20 1 1 A 43 43 PRO CA C 43 63.213 62.776 0.437 1
1 422 . 20 1 1 A 43 43 PRO HA H 43 4.476 4.643 -0.167 1
1 423 . 20 1 1 A 43 43 PRO CB C 43 32.217 31.770 0.447 1
1 432 . 20 1 1 A 45 45 SER CA C 45 58.359 56.432 1.927 1
1 433 . 20 1 1 A 45 45 SER HA H 45 4.496 4.727 -0.231 1
1 434 . 20 1 1 A 45 45 SER CB C 45 64.036 65.659 -1.623 1
1 437 . 20 1 1 A 45 45 SER C C 45 173.895 174.071 -0.176 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 35 1.200 1
2 1 1 1 "RMS(OBS, PRED)" CA 38 1.249 1
3 1 1 1 "RMS(OBS, PRED)" CB 34 1.492 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.468 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.364 1
6 1 1 1 "RMS(OBS, PRED)" N 31 3.451 1
7 1 2 1 "RMS(OBS, PRED)" C 35 1.053 1
8 1 2 1 "RMS(OBS, PRED)" CA 38 1.096 1
9 1 2 1 "RMS(OBS, PRED)" CB 34 1.205 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.440 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.282 1
12 1 2 1 "RMS(OBS, PRED)" N 31 3.392 1
13 1 3 1 "RMS(OBS, PRED)" C 35 1.073 1
14 1 3 1 "RMS(OBS, PRED)" CA 38 0.950 1
15 1 3 1 "RMS(OBS, PRED)" CB 34 1.332 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.446 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.319 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.968 1
19 1 4 1 "RMS(OBS, PRED)" C 35 1.098 1
20 1 4 1 "RMS(OBS, PRED)" CA 38 1.134 1
21 1 4 1 "RMS(OBS, PRED)" CB 34 1.219 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.428 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.296 1
24 1 4 1 "RMS(OBS, PRED)" N 31 3.435 1
25 1 5 1 "RMS(OBS, PRED)" C 35 1.045 1
26 1 5 1 "RMS(OBS, PRED)" CA 38 1.293 1
27 1 5 1 "RMS(OBS, PRED)" CB 34 1.193 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.408 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.309 1
30 1 5 1 "RMS(OBS, PRED)" N 31 2.940 1
31 1 6 1 "RMS(OBS, PRED)" C 35 1.080 1
32 1 6 1 "RMS(OBS, PRED)" CA 38 1.184 1
33 1 6 1 "RMS(OBS, PRED)" CB 34 1.030 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.465 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.300 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.764 1
37 1 7 1 "RMS(OBS, PRED)" C 35 1.119 1
38 1 7 1 "RMS(OBS, PRED)" CA 38 1.225 1
39 1 7 1 "RMS(OBS, PRED)" CB 34 1.279 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.423 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.321 1
42 1 7 1 "RMS(OBS, PRED)" N 31 3.596 1
43 1 8 1 "RMS(OBS, PRED)" C 35 0.987 1
44 1 8 1 "RMS(OBS, PRED)" CA 38 1.088 1
45 1 8 1 "RMS(OBS, PRED)" CB 34 1.278 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.406 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.302 1
48 1 8 1 "RMS(OBS, PRED)" N 31 3.041 1
49 1 9 1 "RMS(OBS, PRED)" C 35 1.110 1
50 1 9 1 "RMS(OBS, PRED)" CA 38 1.416 1
51 1 9 1 "RMS(OBS, PRED)" CB 34 1.300 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.427 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.335 1
54 1 9 1 "RMS(OBS, PRED)" N 31 3.176 1
55 1 10 1 "RMS(OBS, PRED)" C 35 1.167 1
56 1 10 1 "RMS(OBS, PRED)" CA 38 1.120 1
57 1 10 1 "RMS(OBS, PRED)" CB 34 1.536 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.379 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.268 1
60 1 10 1 "RMS(OBS, PRED)" N 31 3.323 1
61 1 11 1 "RMS(OBS, PRED)" C 35 1.012 1
62 1 11 1 "RMS(OBS, PRED)" CA 38 1.089 1
63 1 11 1 "RMS(OBS, PRED)" CB 34 1.252 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.471 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.314 1
66 1 11 1 "RMS(OBS, PRED)" N 31 3.008 1
67 1 12 1 "RMS(OBS, PRED)" C 35 1.107 1
68 1 12 1 "RMS(OBS, PRED)" CA 38 1.342 1
69 1 12 1 "RMS(OBS, PRED)" CB 34 1.289 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.536 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.321 1
72 1 12 1 "RMS(OBS, PRED)" N 31 3.490 1
73 1 13 1 "RMS(OBS, PRED)" C 35 1.064 1
74 1 13 1 "RMS(OBS, PRED)" CA 38 1.369 1
75 1 13 1 "RMS(OBS, PRED)" CB 34 1.080 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.440 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.298 1
78 1 13 1 "RMS(OBS, PRED)" N 31 2.828 1
79 1 14 1 "RMS(OBS, PRED)" C 35 1.060 1
80 1 14 1 "RMS(OBS, PRED)" CA 38 1.058 1
81 1 14 1 "RMS(OBS, PRED)" CB 34 1.139 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.441 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.257 1
84 1 14 1 "RMS(OBS, PRED)" N 31 3.076 1
85 1 15 1 "RMS(OBS, PRED)" C 35 1.015 1
86 1 15 1 "RMS(OBS, PRED)" CA 38 1.165 1
87 1 15 1 "RMS(OBS, PRED)" CB 34 1.262 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.466 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.274 1
90 1 15 1 "RMS(OBS, PRED)" N 31 3.188 1
91 1 16 1 "RMS(OBS, PRED)" C 35 0.988 1
92 1 16 1 "RMS(OBS, PRED)" CA 38 1.097 1
93 1 16 1 "RMS(OBS, PRED)" CB 34 1.245 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.463 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.303 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.851 1
97 1 17 1 "RMS(OBS, PRED)" C 35 1.058 1
98 1 17 1 "RMS(OBS, PRED)" CA 38 1.131 1
99 1 17 1 "RMS(OBS, PRED)" CB 34 1.181 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.384 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.309 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.738 1
103 1 18 1 "RMS(OBS, PRED)" C 35 1.121 1
104 1 18 1 "RMS(OBS, PRED)" CA 38 0.993 1
105 1 18 1 "RMS(OBS, PRED)" CB 34 1.223 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.460 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.305 1
108 1 18 1 "RMS(OBS, PRED)" N 31 3.304 1
109 1 19 1 "RMS(OBS, PRED)" C 35 1.004 1
110 1 19 1 "RMS(OBS, PRED)" CA 38 1.271 1
111 1 19 1 "RMS(OBS, PRED)" CB 34 1.350 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.434 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.344 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.620 1
115 1 20 1 "RMS(OBS, PRED)" C 35 0.985 1
116 1 20 1 "RMS(OBS, PRED)" CA 38 0.981 1
117 1 20 1 "RMS(OBS, PRED)" CB 34 1.126 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.401 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.276 1
120 1 20 1 "RMS(OBS, PRED)" N 31 3.219 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 45.428 45.659 -0.231 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.049 4.045 0.004 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.049 4.047 0.002 2
1 4 . 1 1 A 7 7 GLY C C 7 174.518 173.733 0.785 2
1 5 . 1 1 A 8 8 THR N N 8 112.808 115.112 -2.304 2
1 6 . 1 1 A 8 8 THR H H 8 8.145 8.357 -0.212 2
1 7 . 1 1 A 8 8 THR CA C 8 61.842 61.510 0.332 2
1 8 . 1 1 A 8 8 THR HA H 8 4.361 4.616 -0.255 2
1 9 . 1 1 A 8 8 THR CB C 8 69.802 69.830 -0.028 2
1 15 . 1 1 A 8 8 THR C C 8 175.285 174.387 0.898 2
1 16 . 1 1 A 9 9 GLY N N 9 110.918 111.611 -0.693 2
1 17 . 1 1 A 9 9 GLY H H 9 8.318 8.357 -0.039 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.316 45.551 -0.235 2
1 19 . 1 1 A 9 9 GLY HA2 H 9 3.961 4.053 -0.092 2
1 20 . 1 1 A 9 9 GLY HA3 H 9 3.961 4.056 -0.095 2
1 21 . 1 1 A 10 10 GLU N N 10 120.269 120.759 -0.490 2
1 22 . 1 1 A 10 10 GLU H H 10 8.223 8.438 -0.215 2
1 23 . 1 1 A 10 10 GLU CA C 10 56.774 55.739 1.035 2
1 24 . 1 1 A 10 10 GLU HA H 10 4.196 4.599 -0.403 2
1 25 . 1 1 A 10 10 GLU CB C 10 30.450 30.852 -0.402 2
1 31 . 1 1 A 10 10 GLU C C 10 176.312 175.620 0.692 2
1 32 . 1 1 A 11 11 LYS N N 11 121.676 123.028 -1.352 2
1 33 . 1 1 A 11 11 LYS H H 11 8.287 8.249 0.038 2
1 34 . 1 1 A 11 11 LYS CA C 11 53.916 53.887 0.029 2
1 35 . 1 1 A 11 11 LYS HA H 11 4.497 4.596 -0.100 2
1 36 . 1 1 A 11 11 LYS CB C 11 32.952 32.774 0.178 2
1 48 . 1 1 A 11 11 LYS C C 11 174.005 176.424 -2.419 2
1 49 . 1 1 A 12 12 PRO CA C 12 63.420 64.510 -1.090 2
1 50 . 1 1 A 12 12 PRO HA H 12 4.272 4.258 0.014 2
1 51 . 1 1 A 12 12 PRO CB C 12 32.270 31.667 0.603 2
1 60 . 1 1 A 12 12 PRO C C 12 176.312 176.035 0.277 2
1 61 . 1 1 A 13 13 PHE N N 13 118.211 117.960 0.251 2
1 62 . 1 1 A 13 13 PHE H H 13 8.097 7.630 0.467 2
1 63 . 1 1 A 13 13 PHE CA C 13 57.267 56.880 0.387 2
1 64 . 1 1 A 13 13 PHE HA H 13 4.640 5.185 -0.545 2
1 65 . 1 1 A 13 13 PHE CB C 13 39.302 41.671 -2.369 2
1 78 . 1 1 A 13 13 PHE C C 13 174.594 174.350 0.244 2
1 79 . 1 1 A 14 14 GLU N N 14 124.060 123.211 0.849 2
1 80 . 1 1 A 14 14 GLU H H 14 8.568 9.003 -0.435 2
1 81 . 1 1 A 14 14 GLU CA C 14 55.291 54.888 0.403 2
1 82 . 1 1 A 14 14 GLU HA H 14 4.849 5.538 -0.689 2
1 83 . 1 1 A 14 14 GLU CB C 14 32.713 33.542 -0.829 2
1 89 . 1 1 A 14 14 GLU C C 14 175.419 174.845 0.574 2
1 90 . 1 1 A 15 15 CYS N N 15 126.818 125.128 1.690 2
1 91 . 1 1 A 15 15 CYS H H 15 9.101 9.221 -0.120 2
1 92 . 1 1 A 15 15 CYS CA C 15 59.631 59.273 0.358 2
1 93 . 1 1 A 15 15 CYS HA H 15 4.558 4.684 -0.126 2
1 94 . 1 1 A 15 15 CYS CB C 15 29.865 28.918 0.947 2
1 97 . 1 1 A 15 15 CYS C C 15 176.885 174.943 1.942 2
1 98 . 1 1 A 16 16 SER N N 16 112.930 119.051 -6.121 2
1 99 . 1 1 A 16 16 SER H H 16 9.124 8.848 0.276 2
1 100 . 1 1 A 16 16 SER CA C 16 60.826 59.288 1.537 2
1 101 . 1 1 A 16 16 SER HA H 16 4.356 4.640 -0.284 2
1 102 . 1 1 A 16 16 SER CB C 16 63.144 64.720 -1.576 2
1 105 . 1 1 A 16 16 SER C C 16 174.769 175.723 -0.954 2
1 106 . 1 1 A 17 17 GLU N N 17 123.223 120.980 2.243 2
1 107 . 1 1 A 17 17 GLU H H 17 8.865 8.059 0.806 2
1 108 . 1 1 A 17 17 GLU CA C 17 57.918 58.655 -0.737 2
1 109 . 1 1 A 17 17 GLU HA H 17 4.287 4.121 0.166 2
1 110 . 1 1 A 17 17 GLU CB C 17 29.917 29.964 -0.047 2
1 116 . 1 1 A 17 17 GLU C C 17 176.999 178.417 -1.418 2
1 117 . 1 1 A 18 18 CYS N N 18 116.163 115.443 0.720 2
1 118 . 1 1 A 18 18 CYS H H 18 7.875 7.722 0.153 2
1 119 . 1 1 A 18 18 CYS CA C 18 58.661 59.234 -0.573 2
1 120 . 1 1 A 18 18 CYS HA H 18 5.031 4.477 0.554 2
1 121 . 1 1 A 18 18 CYS CB C 18 31.745 28.819 2.926 2
1 124 . 1 1 A 18 18 CYS C C 18 174.845 174.591 0.254 2
1 125 . 1 1 A 19 19 GLN N N 19 116.345 116.559 -0.214 2
1 126 . 1 1 A 19 19 GLN H H 19 8.133 7.953 0.180 2
1 127 . 1 1 A 19 19 GLN CA C 19 58.722 56.958 1.764 2
1 128 . 1 1 A 19 19 GLN HA H 19 4.117 4.062 0.055 2
1 129 . 1 1 A 19 19 GLN CB C 19 26.290 26.266 0.024 2
1 138 . 1 1 A 19 19 GLN C C 19 174.950 174.376 0.574 2
1 139 . 1 1 A 20 20 LYS N N 20 121.633 119.486 2.147 2
1 140 . 1 1 A 20 20 LYS H H 20 7.934 7.879 0.055 2
1 141 . 1 1 A 20 20 LYS CA C 20 57.862 56.064 1.798 2
1 142 . 1 1 A 20 20 LYS HA H 20 4.083 4.422 -0.339 2
1 143 . 1 1 A 20 20 LYS CB C 20 34.143 33.844 0.299 2
1 155 . 1 1 A 20 20 LYS C C 20 173.968 175.569 -1.601 2
1 156 . 1 1 A 21 21 ALA N N 21 123.578 126.449 -2.871 2
1 157 . 1 1 A 21 21 ALA H H 21 7.807 8.422 -0.615 2
1 158 . 1 1 A 21 21 ALA CA C 21 50.538 50.837 -0.299 2
1 159 . 1 1 A 21 21 ALA HA H 21 5.067 5.244 -0.177 2
1 160 . 1 1 A 21 21 ALA CB C 21 22.260 20.874 1.386 2
1 164 . 1 1 A 21 21 ALA C C 21 176.143 176.624 -0.480 2
1 165 . 1 1 A 22 22 PHE N N 22 116.532 118.665 -2.133 2
1 166 . 1 1 A 22 22 PHE H H 22 8.637 8.828 -0.191 2
1 167 . 1 1 A 22 22 PHE CA C 22 57.465 56.689 0.776 2
1 168 . 1 1 A 22 22 PHE HA H 22 4.665 4.985 -0.320 2
1 169 . 1 1 A 22 22 PHE CB C 22 43.945 43.528 0.417 2
1 182 . 1 1 A 22 22 PHE C C 22 175.082 175.673 -0.591 2
1 183 . 1 1 A 23 23 ASN CA C 23 55.192 55.076 0.116 2
1 184 . 1 1 A 23 23 ASN HA H 23 4.880 4.937 -0.057 2
1 185 . 1 1 A 23 23 ASN CB C 23 39.136 39.816 -0.680 2
1 191 . 1 1 A 23 23 ASN C C 23 175.375 175.535 -0.160 2
1 192 . 1 1 A 24 24 THR N N 24 120.293 110.030 10.263 2
1 193 . 1 1 A 24 24 THR H H 24 7.421 7.800 -0.379 2
1 194 . 1 1 A 24 24 THR CA C 24 58.831 59.026 -0.194 2
1 195 . 1 1 A 24 24 THR HA H 24 4.637 4.607 0.030 2
1 196 . 1 1 A 24 24 THR CB C 24 72.609 71.528 1.081 2
1 202 . 1 1 A 24 24 THR C C 24 173.507 174.650 -1.143 2
1 203 . 1 1 A 25 25 LYS N N 25 124.488 122.587 1.901 2
1 204 . 1 1 A 25 25 LYS H H 25 8.175 8.219 -0.044 2
1 205 . 1 1 A 25 25 LYS CA C 25 58.622 59.675 -1.053 2
1 206 . 1 1 A 25 25 LYS HA H 25 3.105 3.153 -0.048 2
1 207 . 1 1 A 25 25 LYS CB C 25 31.613 31.697 -0.084 2
1 219 . 1 1 A 25 25 LYS C C 25 178.363 177.911 0.452 2
1 220 . 1 1 A 26 26 SER N N 26 112.511 115.594 -3.083 2
1 221 . 1 1 A 26 26 SER H H 26 8.248 8.051 0.197 2
1 222 . 1 1 A 26 26 SER CA C 26 61.540 61.598 -0.058 2
1 223 . 1 1 A 26 26 SER HA H 26 3.962 4.043 -0.081 2
1 224 . 1 1 A 26 26 SER CB C 26 62.203 62.612 -0.409 2
1 227 . 1 1 A 26 26 SER C C 26 176.506 176.841 -0.335 2
1 228 . 1 1 A 27 27 ASN N N 27 118.519 120.548 -2.029 2
1 229 . 1 1 A 27 27 ASN H H 27 7.575 7.965 -0.390 2
1 230 . 1 1 A 27 27 ASN CA C 27 55.248 56.338 -1.090 2
1 231 . 1 1 A 27 27 ASN HA H 27 4.432 4.428 0.003 2
1 232 . 1 1 A 27 27 ASN CB C 27 37.796 38.135 -0.339 2
1 238 . 1 1 A 27 27 ASN C C 27 177.845 177.646 0.199 2
1 239 . 1 1 A 28 28 LEU N N 28 123.404 120.866 2.538 2
1 240 . 1 1 A 28 28 LEU H H 28 7.347 7.450 -0.103 2
1 241 . 1 1 A 28 28 LEU CA C 28 58.281 57.861 0.420 2
1 242 . 1 1 A 28 28 LEU HA H 28 3.278 2.716 0.562 2
1 243 . 1 1 A 28 28 LEU CB C 28 40.486 41.343 -0.857 2
1 256 . 1 1 A 28 28 LEU C C 28 177.276 178.455 -1.179 2
1 257 . 1 1 A 29 29 ILE N N 29 120.611 120.054 0.557 2
1 258 . 1 1 A 29 29 ILE H H 29 8.285 8.221 0.064 2
1 259 . 1 1 A 29 29 ILE CA C 29 65.036 65.329 -0.293 2
1 260 . 1 1 A 29 29 ILE HA H 29 3.727 3.577 0.150 2
1 261 . 1 1 A 29 29 ILE CB C 29 37.616 37.785 -0.169 2
1 274 . 1 1 A 29 29 ILE C C 29 179.149 178.109 1.040 2
1 275 . 1 1 A 30 30 VAL N N 30 119.090 120.023 -0.933 2
1 276 . 1 1 A 30 30 VAL H H 30 7.578 7.899 -0.321 2
1 277 . 1 1 A 30 30 VAL CA C 30 66.753 66.252 0.501 2
1 278 . 1 1 A 30 30 VAL HA H 30 3.469 3.637 -0.168 2
1 279 . 1 1 A 30 30 VAL CB C 30 31.959 31.483 0.476 2
1 289 . 1 1 A 30 30 VAL C C 30 179.079 178.110 0.969 2
1 290 . 1 1 A 31 31 HIS N N 31 119.088 119.994 -0.906 2
1 291 . 1 1 A 31 31 HIS H H 31 7.441 7.942 -0.501 2
1 292 . 1 1 A 31 31 HIS CA C 31 59.210 59.019 0.191 2
1 293 . 1 1 A 31 31 HIS HA H 31 4.197 4.204 -0.007 2
1 294 . 1 1 A 31 31 HIS CB C 31 28.110 30.049 -1.939 2
1 301 . 1 1 A 31 31 HIS C C 31 178.149 176.958 1.191 2
1 302 . 1 1 A 32 32 GLN N N 32 120.672 117.858 2.814 2
1 303 . 1 1 A 32 32 GLN H H 32 8.973 8.332 0.641 2
1 304 . 1 1 A 32 32 GLN CA C 32 59.954 59.117 0.837 2
1 305 . 1 1 A 32 32 GLN HA H 32 3.620 3.908 -0.288 2
1 306 . 1 1 A 32 32 GLN CB C 32 28.132 28.385 -0.253 2
1 315 . 1 1 A 32 32 GLN C C 32 177.938 178.565 -0.627 2
1 316 . 1 1 A 33 33 ARG N N 33 117.768 119.153 -1.385 2
1 317 . 1 1 A 33 33 ARG H H 33 7.323 7.820 -0.497 2
1 318 . 1 1 A 33 33 ARG CA C 33 58.576 59.076 -0.500 2
1 319 . 1 1 A 33 33 ARG HA H 33 4.171 4.029 0.142 2
1 320 . 1 1 A 33 33 ARG CB C 33 30.016 29.951 0.065 2
1 329 . 1 1 A 33 33 ARG C C 33 178.202 178.482 -0.280 2
1 330 . 1 1 A 34 34 THR N N 34 109.590 113.359 -3.769 2
1 331 . 1 1 A 34 34 THR H H 34 7.812 8.167 -0.355 2
1 332 . 1 1 A 34 34 THR CA C 34 63.867 64.957 -1.090 2
1 333 . 1 1 A 34 34 THR HA H 34 4.113 3.949 0.164 2
1 334 . 1 1 A 34 34 THR CB C 34 69.435 68.399 1.036 2
1 340 . 1 1 A 34 34 THR C C 34 175.584 176.393 -0.809 2
1 341 . 1 1 A 35 35 HIS N N 35 118.698 118.449 0.249 2
1 342 . 1 1 A 35 35 HIS H H 35 7.187 7.699 -0.512 2
1 343 . 1 1 A 35 35 HIS CA C 35 55.498 57.328 -1.830 2
1 344 . 1 1 A 35 35 HIS HA H 35 4.864 4.440 0.424 2
1 345 . 1 1 A 35 35 HIS CB C 35 28.676 29.170 -0.494 2
1 352 . 1 1 A 35 35 HIS C C 35 175.584 175.603 -0.019 2
1 353 . 1 1 A 36 36 THR N N 36 112.399 112.091 0.308 2
1 354 . 1 1 A 36 36 THR H H 36 7.811 7.765 0.046 2
1 355 . 1 1 A 36 36 THR CA C 36 62.362 62.072 0.290 2
1 356 . 1 1 A 36 36 THR HA H 36 4.358 4.366 -0.008 2
1 357 . 1 1 A 36 36 THR CB C 36 69.845 69.594 0.250 2
1 363 . 1 1 A 36 36 THR C C 36 175.377 174.406 0.971 2
1 364 . 1 1 A 37 37 GLY N N 37 111.020 111.581 -0.561 2
1 365 . 1 1 A 37 37 GLY H H 37 8.446 8.338 0.108 2
1 366 . 1 1 A 37 37 GLY CA C 37 45.083 45.493 -0.410 2
1 367 . 1 1 A 37 37 GLY HA2 H 37 3.985 4.067 -0.082 2
1 368 . 1 1 A 37 37 GLY HA3 H 37 3.985 4.072 -0.087 2
1 369 . 1 1 A 37 37 GLY C C 37 174.005 173.625 0.380 2
1 370 . 1 1 A 38 38 GLU N N 38 120.659 120.763 -0.104 2
1 371 . 1 1 A 38 38 GLU H H 38 8.132 8.445 -0.313 2
1 372 . 1 1 A 38 38 GLU CA C 38 56.441 55.772 0.669 2
1 373 . 1 1 A 38 38 GLU HA H 38 4.240 4.561 -0.321 2
1 374 . 1 1 A 38 38 GLU CB C 38 30.497 30.863 -0.366 2
1 380 . 1 1 A 38 38 GLU C C 38 176.239 175.415 0.824 2
1 381 . 1 1 A 39 39 LYS N N 39 123.933 122.664 1.269 2
1 382 . 1 1 A 39 39 LYS H H 39 8.428 8.284 0.144 2
1 383 . 1 1 A 39 39 LYS CA C 39 54.087 53.892 0.195 2
1 384 . 1 1 A 39 39 LYS HA H 39 4.601 4.648 -0.047 2
1 385 . 1 1 A 39 39 LYS CB C 39 32.513 33.441 -0.928 2
1 397 . 1 1 A 39 39 LYS C C 39 174.467 175.270 -0.803 2
1 398 . 1 1 A 40 40 PRO CA C 40 63.220 63.464 -0.244 2
1 399 . 1 1 A 40 40 PRO HA H 40 4.446 4.528 -0.082 2
1 400 . 1 1 A 40 40 PRO CB C 40 32.146 31.808 0.338 2
1 409 . 1 1 A 40 40 PRO C C 40 176.972 176.704 0.268 2
1 410 . 1 1 A 41 41 SER N N 41 116.493 115.148 1.345 2
1 411 . 1 1 A 41 41 SER H H 41 8.462 8.256 0.206 2
1 412 . 1 1 A 41 41 SER CA C 41 58.320 58.286 0.034 2
1 413 . 1 1 A 41 41 SER HA H 41 4.470 4.590 -0.120 2
1 414 . 1 1 A 41 41 SER CB C 41 64.163 64.615 -0.452 2
1 417 . 1 1 A 41 41 SER C C 41 174.635 174.413 0.222 2
1 418 . 1 1 A 42 42 GLY CA C 42 44.675 45.716 -1.041 2
1 419 . 1 1 A 42 42 GLY HA2 H 42 4.151 4.096 0.055 2
1 420 . 1 1 A 42 42 GLY HA3 H 42 4.095 4.096 -0.001 2
1 421 . 1 1 A 43 43 PRO CA C 43 63.213 63.499 -0.286 2
1 422 . 1 1 A 43 43 PRO HA H 43 4.476 4.510 -0.034 2
1 423 . 1 1 A 43 43 PRO CB C 43 32.217 31.939 0.278 2
1 432 . 1 1 A 45 45 SER CA C 45 58.359 58.614 -0.255 2
1 433 . 1 1 A 45 45 SER HA H 45 4.496 4.503 -0.007 2
1 434 . 1 1 A 45 45 SER CB C 45 64.036 63.714 0.322 2
1 437 . 1 1 A 45 45 SER C C 45 173.895 174.759 -0.864 2
stop_
save_