data_10184_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10184
_Entry.PDB_ID 2EMG
_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 45.450 45.553 -0.103 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.030 4.214 -0.184 1
1 3 . 1 1 1 A 7 7 GLY HA2 H 7 4.030 4.213 -0.183 1
1 4 . 1 1 1 A 8 8 THR N N 8 112.777 115.218 -2.441 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.142 8.465 -0.323 1
1 6 . 1 1 1 A 8 8 THR CA C 8 61.874 60.936 0.938 1
1 7 . 1 1 1 A 8 8 THR HA H 8 4.374 4.842 -0.468 1
1 8 . 1 1 1 A 8 8 THR CB C 8 69.838 70.289 -0.451 1
1 14 . 1 1 1 A 8 8 THR C C 8 174.631 173.836 0.795 1
1 15 . 1 1 1 A 9 9 GLY N N 9 110.604 112.749 -2.145 1
1 16 . 1 1 1 A 9 9 GLY H H 9 8.219 8.252 -0.033 1
1 17 . 1 1 1 A 9 9 GLY CA C 9 45.339 45.603 -0.264 1
1 18 . 1 1 1 A 9 9 GLY HA3 H 9 3.974 4.110 -0.136 1
1 19 . 1 1 1 A 9 9 GLY C C 9 173.976 173.674 0.302 1
1 20 . 1 1 1 A 9 9 GLY HA2 H 9 3.929 4.109 -0.180 1
1 21 . 1 1 1 A 10 10 GLU N N 10 120.077 123.583 -3.506 1
1 22 . 1 1 1 A 10 10 GLU H H 10 8.193 8.513 -0.320 1
1 23 . 1 1 1 A 10 10 GLU CA C 10 56.334 56.693 -0.359 1
1 24 . 1 1 1 A 10 10 GLU HA H 10 4.257 4.292 -0.035 1
1 25 . 1 1 1 A 10 10 GLU CB C 10 30.542 29.864 0.678 1
1 29 . 1 1 1 A 10 10 GLU C C 10 175.869 176.256 -0.387 1
1 32 . 1 1 1 A 11 11 ASN N N 11 120.072 120.323 -0.251 1
1 33 . 1 1 1 A 11 11 ASN H H 11 8.365 8.353 0.012 1
1 34 . 1 1 1 A 11 11 ASN CA C 11 51.358 49.606 1.752 1
1 35 . 1 1 1 A 11 11 ASN HA H 11 4.872 5.176 -0.304 1
1 36 . 1 1 1 A 11 11 ASN CB C 11 39.215 40.011 -0.796 1
1 41 . 1 1 1 A 11 11 ASN C C 11 173.417 174.970 -1.553 1
1 43 . 1 1 1 A 12 12 PRO CA C 12 63.071 64.410 -1.339 1
1 44 . 1 1 1 A 12 12 PRO HA H 12 4.304 3.996 0.308 1
1 45 . 1 1 1 A 12 12 PRO CB C 12 32.343 31.886 0.457 1
1 51 . 1 1 1 A 12 12 PRO C C 12 175.981 175.736 0.245 1
1 55 . 1 1 1 A 13 13 PHE N N 13 119.314 116.154 3.160 1
1 56 . 1 1 1 A 13 13 PHE H H 13 8.292 7.426 0.866 1
1 57 . 1 1 1 A 13 13 PHE CA C 13 57.055 56.265 0.790 1
1 58 . 1 1 1 A 13 13 PHE HA H 13 4.705 5.130 -0.425 1
1 59 . 1 1 1 A 13 13 PHE CB C 13 39.402 43.452 -4.050 1
1 71 . 1 1 1 A 13 13 PHE C C 13 174.054 174.103 -0.049 1
1 73 . 1 1 1 A 14 14 ILE N N 14 122.850 120.319 2.531 1
1 74 . 1 1 1 A 14 14 ILE H H 14 8.311 8.573 -0.262 1
1 75 . 1 1 1 A 14 14 ILE CA C 14 59.824 60.422 -0.598 1
1 76 . 1 1 1 A 14 14 ILE HA H 14 4.848 5.042 -0.194 1
1 77 . 1 1 1 A 14 14 ILE CB C 14 41.237 42.134 -0.897 1
1 89 . 1 1 1 A 14 14 ILE C C 14 175.774 175.346 0.428 1
1 91 . 1 1 1 A 15 15 CYS N N 15 129.055 126.694 2.361 1
1 92 . 1 1 1 A 15 15 CYS H H 15 9.276 8.663 0.613 1
1 93 . 1 1 1 A 15 15 CYS CA C 15 59.920 58.440 1.480 1
1 94 . 1 1 1 A 15 15 CYS HA H 15 4.586 4.675 -0.089 1
1 95 . 1 1 1 A 15 15 CYS CB C 15 29.432 27.497 1.935 1
1 97 . 1 1 1 A 15 15 CYS C C 15 177.331 175.382 1.949 1
1 99 . 1 1 1 A 16 16 SER N N 16 114.664 122.074 -7.410 1
1 100 . 1 1 1 A 16 16 SER H H 16 9.283 8.233 1.050 1
1 101 . 1 1 1 A 16 16 SER CA C 16 61.085 61.803 -0.718 1
1 102 . 1 1 1 A 16 16 SER HA H 16 4.215 4.064 0.151 1
1 103 . 1 1 1 A 16 16 SER CB C 16 63.030 63.070 -0.040 1
1 105 . 1 1 1 A 16 16 SER C C 16 174.495 176.735 -2.240 1
1 107 . 1 1 1 A 17 17 GLU N N 17 122.474 121.229 1.245 1
1 108 . 1 1 1 A 17 17 GLU H H 17 8.603 8.345 0.258 1
1 109 . 1 1 1 A 17 17 GLU CA C 17 58.006 58.865 -0.859 1
1 110 . 1 1 1 A 17 17 GLU HA H 17 4.251 3.902 0.349 1
1 111 . 1 1 1 A 17 17 GLU CB C 17 29.542 28.636 0.906 1
1 115 . 1 1 1 A 17 17 GLU C C 17 177.153 178.207 -1.054 1
1 118 . 1 1 1 A 18 18 CYS N N 18 114.558 114.806 -0.248 1
1 119 . 1 1 1 A 18 18 CYS H H 18 7.882 7.896 -0.014 1
1 120 . 1 1 1 A 18 18 CYS CA C 18 58.430 59.726 -1.296 1
1 121 . 1 1 1 A 18 18 CYS HA H 18 5.183 4.612 0.571 1
1 122 . 1 1 1 A 18 18 CYS CB C 18 32.630 29.566 3.064 1
1 124 . 1 1 1 A 18 18 CYS C C 18 176.361 175.433 0.928 1
1 126 . 1 1 1 A 19 19 GLY N N 19 113.615 110.060 3.555 1
1 127 . 1 1 1 A 19 19 GLY H H 19 8.332 8.323 0.009 1
1 128 . 1 1 1 A 19 19 GLY CA C 19 46.106 45.645 0.461 1
1 129 . 1 1 1 A 19 19 GLY HA3 H 19 3.733 4.083 -0.350 1
1 130 . 1 1 1 A 19 19 GLY C C 19 173.422 174.379 -0.957 1
1 131 . 1 1 1 A 19 19 GLY HA2 H 19 4.186 4.066 0.120 1
1 132 . 1 1 1 A 20 20 LYS N N 20 122.607 120.788 1.819 1
1 133 . 1 1 1 A 20 20 LYS H H 20 7.917 7.788 0.129 1
1 134 . 1 1 1 A 20 20 LYS CA C 20 58.336 54.671 3.665 1
1 135 . 1 1 1 A 20 20 LYS HA H 20 3.994 4.611 -0.617 1
1 136 . 1 1 1 A 20 20 LYS CB C 20 33.765 34.225 -0.460 1
1 144 . 1 1 1 A 20 20 LYS C C 20 174.018 175.309 -1.291 1
1 149 . 1 1 1 A 21 21 VAL N N 21 119.988 126.509 -6.521 1
1 150 . 1 1 1 A 21 21 VAL H H 21 7.622 8.448 -0.826 1
1 151 . 1 1 1 A 21 21 VAL CA C 21 61.260 61.572 -0.312 1
1 152 . 1 1 1 A 21 21 VAL HA H 21 4.565 4.937 -0.372 1
1 153 . 1 1 1 A 21 21 VAL CB C 21 33.625 32.843 0.782 1
1 163 . 1 1 1 A 21 21 VAL C C 21 175.348 174.288 1.060 1
1 164 . 1 1 1 A 22 22 PHE N N 22 122.931 126.396 -3.465 1
1 165 . 1 1 1 A 22 22 PHE H H 22 8.909 9.103 -0.194 1
1 166 . 1 1 1 A 22 22 PHE CA C 22 57.177 56.422 0.755 1
1 167 . 1 1 1 A 22 22 PHE HA H 22 4.774 4.932 -0.158 1
1 168 . 1 1 1 A 22 22 PHE CB C 22 42.896 42.792 0.104 1
1 180 . 1 1 1 A 22 22 PHE C C 22 175.213 176.140 -0.927 1
1 182 . 1 1 1 A 23 23 THR N N 23 113.904 116.532 -2.628 1
1 183 . 1 1 1 A 23 23 THR H H 23 8.911 8.689 0.222 1
1 184 . 1 1 1 A 23 23 THR CA C 23 63.768 65.659 -1.891 1
1 185 . 1 1 1 A 23 23 THR HA H 23 4.347 4.361 -0.014 1
1 186 . 1 1 1 A 23 23 THR CB C 23 69.464 69.032 0.432 1
1 192 . 1 1 1 A 23 23 THR C C 23 174.304 174.845 -0.541 1
1 193 . 1 1 1 A 24 24 HIS N N 24 118.243 119.248 -1.005 1
1 194 . 1 1 1 A 24 24 HIS H H 24 7.673 8.117 -0.444 1
1 195 . 1 1 1 A 24 24 HIS CA C 24 55.567 54.331 1.236 1
1 196 . 1 1 1 A 24 24 HIS HA H 24 4.801 5.017 -0.216 1
1 197 . 1 1 1 A 24 24 HIS CB C 24 33.368 32.154 1.214 1
1 203 . 1 1 1 A 24 24 HIS C C 24 175.494 174.982 0.512 1
1 205 . 1 1 1 A 25 25 LYS N N 25 127.606 124.994 2.612 1
1 206 . 1 1 1 A 25 25 LYS H H 25 8.431 8.383 0.048 1
1 207 . 1 1 1 A 25 25 LYS CA C 25 59.580 58.960 0.620 1
1 208 . 1 1 1 A 25 25 LYS HA H 25 2.970 3.032 -0.062 1
1 209 . 1 1 1 A 25 25 LYS CB C 25 31.932 31.512 0.420 1
1 216 . 1 1 1 A 25 25 LYS C C 25 178.019 177.152 0.867 1
1 221 . 1 1 1 A 26 26 THR N N 26 111.783 114.522 -2.739 1
1 222 . 1 1 1 A 26 26 THR H H 26 8.670 7.558 1.112 1
1 223 . 1 1 1 A 26 26 THR CA C 26 65.774 65.293 0.481 1
1 224 . 1 1 1 A 26 26 THR HA H 26 3.753 4.012 -0.259 1
1 225 . 1 1 1 A 26 26 THR CB C 26 68.322 68.875 -0.553 1
1 231 . 1 1 1 A 26 26 THR C C 26 176.052 177.047 -0.995 1
1 232 . 1 1 1 A 27 27 ASN N N 27 116.833 119.554 -2.721 1
1 233 . 1 1 1 A 27 27 ASN H H 27 6.988 8.328 -1.340 1
1 234 . 1 1 1 A 27 27 ASN CA C 27 55.638 56.450 -0.812 1
1 235 . 1 1 1 A 27 27 ASN HA H 27 4.441 4.445 -0.004 1
1 236 . 1 1 1 A 27 27 ASN CB C 27 38.215 39.462 -1.247 1
1 241 . 1 1 1 A 27 27 ASN C C 27 177.347 177.106 0.241 1
1 243 . 1 1 1 A 28 28 LEU N N 28 122.994 119.370 3.624 1
1 244 . 1 1 1 A 28 28 LEU H H 28 6.999 7.132 -0.133 1
1 245 . 1 1 1 A 28 28 LEU CA C 28 57.966 57.292 0.674 1
1 246 . 1 1 1 A 28 28 LEU HA H 28 2.973 2.201 0.772 1
1 247 . 1 1 1 A 28 28 LEU CB C 28 40.441 41.414 -0.973 1
1 259 . 1 1 1 A 28 28 LEU C C 28 177.008 178.421 -1.413 1
1 261 . 1 1 1 A 29 29 ILE N N 29 119.568 119.750 -0.182 1
1 262 . 1 1 1 A 29 29 ILE H H 29 7.936 7.797 0.139 1
1 263 . 1 1 1 A 29 29 ILE CA C 29 64.632 65.332 -0.700 1
1 264 . 1 1 1 A 29 29 ILE HA H 29 3.709 3.495 0.214 1
1 265 . 1 1 1 A 29 29 ILE CB C 29 37.474 37.880 -0.406 1
1 277 . 1 1 1 A 29 29 ILE C C 29 179.171 178.050 1.121 1
1 279 . 1 1 1 A 30 30 ILE N N 30 119.207 120.951 -1.744 1
1 280 . 1 1 1 A 30 30 ILE H H 30 7.589 7.815 -0.226 1
1 281 . 1 1 1 A 30 30 ILE CA C 30 64.891 64.688 0.203 1
1 282 . 1 1 1 A 30 30 ILE HA H 30 3.617 3.580 0.037 1
1 283 . 1 1 1 A 30 30 ILE CB C 30 38.513 36.917 1.596 1
1 295 . 1 1 1 A 30 30 ILE C C 30 178.757 178.512 0.245 1
1 297 . 1 1 1 A 31 31 HIS N N 31 119.828 120.399 -0.571 1
1 298 . 1 1 1 A 31 31 HIS H H 31 7.534 7.805 -0.271 1
1 299 . 1 1 1 A 31 31 HIS CA C 31 59.278 59.570 -0.292 1
1 300 . 1 1 1 A 31 31 HIS HA H 31 4.193 4.254 -0.061 1
1 301 . 1 1 1 A 31 31 HIS CB C 31 28.635 29.795 -1.160 1
1 307 . 1 1 1 A 31 31 HIS C C 31 176.316 176.959 -0.643 1
1 309 . 1 1 1 A 32 32 GLN N N 32 115.270 117.473 -2.203 1
1 310 . 1 1 1 A 32 32 GLN H H 32 8.431 8.434 -0.003 1
1 311 . 1 1 1 A 32 32 GLN CA C 32 59.504 59.129 0.375 1
1 312 . 1 1 1 A 32 32 GLN HA H 32 3.661 3.966 -0.305 1
1 313 . 1 1 1 A 32 32 GLN CB C 32 28.316 28.373 -0.057 1
1 320 . 1 1 1 A 32 32 GLN C C 32 177.585 178.669 -1.084 1
1 323 . 1 1 1 A 33 33 LYS N N 33 117.874 119.807 -1.933 1
1 324 . 1 1 1 A 33 33 LYS H H 33 7.208 8.085 -0.877 1
1 325 . 1 1 1 A 33 33 LYS CA C 33 58.591 58.932 -0.341 1
1 326 . 1 1 1 A 33 33 LYS HA H 33 4.110 3.973 0.137 1
1 327 . 1 1 1 A 33 33 LYS CB C 33 32.257 32.591 -0.334 1
1 335 . 1 1 1 A 33 33 LYS C C 33 178.936 179.165 -0.229 1
1 340 . 1 1 1 A 34 34 ILE N N 34 116.468 117.272 -0.804 1
1 341 . 1 1 1 A 34 34 ILE H H 34 7.885 7.921 -0.036 1
1 342 . 1 1 1 A 34 34 ILE CA C 34 63.144 63.806 -0.662 1
1 343 . 1 1 1 A 34 34 ILE HA H 34 3.968 3.720 0.248 1
1 344 . 1 1 1 A 34 34 ILE CB C 34 37.733 37.049 0.684 1
1 356 . 1 1 1 A 34 34 ILE C C 34 177.569 177.660 -0.091 1
1 358 . 1 1 1 A 35 35 HIS N N 35 117.615 119.654 -2.039 1
1 359 . 1 1 1 A 35 35 HIS H H 35 7.189 7.982 -0.793 1
1 360 . 1 1 1 A 35 35 HIS CA C 35 55.293 59.300 -4.007 1
1 361 . 1 1 1 A 35 35 HIS HA H 35 4.851 4.391 0.460 1
1 362 . 1 1 1 A 35 35 HIS CB C 35 28.494 31.251 -2.757 1
1 368 . 1 1 1 A 35 35 HIS C C 35 175.810 176.293 -0.483 1
1 370 . 1 1 1 A 36 36 THR N N 36 111.886 113.166 -1.280 1
1 371 . 1 1 1 A 36 36 THR H H 36 7.768 7.336 0.432 1
1 372 . 1 1 1 A 36 36 THR CA C 36 62.648 60.860 1.788 1
1 373 . 1 1 1 A 36 36 THR HA H 36 4.341 4.404 -0.063 1
1 374 . 1 1 1 A 36 36 THR CB C 36 69.832 68.204 1.628 1
1 380 . 1 1 1 A 36 36 THR C C 36 175.433 173.893 1.540 1
1 381 . 1 1 1 A 37 37 GLY N N 37 110.507 113.871 -3.364 1
1 382 . 1 1 1 A 37 37 GLY H H 37 8.214 8.238 -0.024 1
1 383 . 1 1 1 A 37 37 GLY CA C 37 45.365 45.799 -0.434 1
1 384 . 1 1 1 A 37 37 GLY HA3 H 37 4.013 4.139 -0.126 1
1 385 . 1 1 1 A 37 37 GLY C C 37 174.057 173.175 0.882 1
1 386 . 1 1 1 A 37 37 GLY HA2 H 37 3.972 4.132 -0.160 1
1 387 . 1 1 1 A 38 38 GLU N N 38 120.478 117.062 3.416 1
1 388 . 1 1 1 A 38 38 GLU H H 38 8.114 8.075 0.039 1
1 389 . 1 1 1 A 38 38 GLU CA C 38 56.517 54.719 1.798 1
1 390 . 1 1 1 A 38 38 GLU HA H 38 4.258 5.019 -0.761 1
1 391 . 1 1 1 A 38 38 GLU CB C 38 30.505 32.975 -2.470 1
1 395 . 1 1 1 A 38 38 GLU C C 38 176.260 175.238 1.022 1
1 398 . 1 1 1 A 39 39 ARG N N 39 123.108 120.639 2.469 1
1 399 . 1 1 1 A 39 39 ARG H H 39 8.347 8.461 -0.114 1
1 400 . 1 1 1 A 39 39 ARG CA C 39 53.836 54.526 -0.690 1
1 401 . 1 1 1 A 39 39 ARG HA H 39 4.641 4.667 -0.026 1
1 402 . 1 1 1 A 39 39 ARG CB C 39 30.295 30.894 -0.599 1
1 408 . 1 1 1 A 39 39 ARG C C 39 174.196 175.096 -0.900 1
1 412 . 1 1 1 A 40 40 PRO CA C 40 63.247 62.471 0.776 1
1 413 . 1 1 1 A 40 40 PRO HA H 40 4.475 4.535 -0.060 1
1 414 . 1 1 1 A 40 40 PRO CB C 40 32.174 32.727 -0.553 1
1 423 . 1 1 1 A 41 41 SER N N 41 116.362 116.570 -0.208 1
1 424 . 1 1 1 A 41 41 SER H H 41 8.471 8.779 -0.308 1
1 425 . 1 1 1 A 41 41 SER CA C 41 58.579 61.600 -3.021 1
1 426 . 1 1 1 A 41 41 SER HA H 41 4.503 4.176 0.327 1
1 427 . 1 1 1 A 41 41 SER CB C 41 63.945 63.302 0.643 1
1 430 . 1 1 1 A 42 42 GLY CA C 42 44.665 44.812 -0.147 1
1 431 . 1 1 1 A 42 42 GLY HA3 H 42 4.158 4.090 0.068 1
1 432 . 1 1 1 A 42 42 GLY HA2 H 42 4.116 4.090 0.026 1
1 433 . 1 1 1 A 43 43 PRO CA C 43 63.255 64.110 -0.855 1
1 434 . 1 1 1 A 43 43 PRO HA H 43 4.474 4.497 -0.023 1
1 435 . 1 1 1 A 43 43 PRO CB C 43 32.218 31.954 0.264 1
1 444 . 1 1 1 A 45 45 SER CA C 45 58.342 58.210 0.132 1
1 445 . 1 1 1 A 45 45 SER HA H 45 4.495 4.761 -0.266 1
1 446 . 1 1 1 A 45 45 SER CB C 45 63.915 65.168 -1.253 1
1 447 . 1 1 1 A 45 45 SER C C 45 173.905 174.562 -0.657 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.450 46.815 -1.365 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.030 3.904 0.126 1
1 3 . 2 1 1 A 7 7 GLY HA2 H 7 4.030 3.902 0.128 1
1 4 . 2 1 1 A 8 8 THR N N 8 112.777 113.867 -1.090 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.142 7.675 0.467 1
1 6 . 2 1 1 A 8 8 THR CA C 8 61.874 66.430 -4.556 1
1 7 . 2 1 1 A 8 8 THR HA H 8 4.374 4.016 0.358 1
1 8 . 2 1 1 A 8 8 THR CB C 8 69.838 68.363 1.475 1
1 14 . 2 1 1 A 8 8 THR C C 8 174.631 177.396 -2.765 1
1 15 . 2 1 1 A 9 9 GLY N N 9 110.604 107.835 2.769 1
1 16 . 2 1 1 A 9 9 GLY H H 9 8.219 8.058 0.161 1
1 17 . 2 1 1 A 9 9 GLY CA C 9 45.339 47.288 -1.949 1
1 18 . 2 1 1 A 9 9 GLY HA3 H 9 3.974 3.753 0.221 1
1 19 . 2 1 1 A 9 9 GLY C C 9 173.976 173.750 0.226 1
1 20 . 2 1 1 A 9 9 GLY HA2 H 9 3.929 3.750 0.179 1
1 21 . 2 1 1 A 10 10 GLU N N 10 120.077 114.871 5.206 1
1 22 . 2 1 1 A 10 10 GLU H H 10 8.193 7.908 0.285 1
1 23 . 2 1 1 A 10 10 GLU CA C 10 56.334 57.374 -1.040 1
1 24 . 2 1 1 A 10 10 GLU HA H 10 4.257 3.799 0.458 1
1 25 . 2 1 1 A 10 10 GLU CB C 10 30.542 27.084 3.458 1
1 29 . 2 1 1 A 10 10 GLU C C 10 175.869 174.433 1.436 1
1 32 . 2 1 1 A 11 11 ASN N N 11 120.072 114.826 5.246 1
1 33 . 2 1 1 A 11 11 ASN H H 11 8.365 7.884 0.481 1
1 34 . 2 1 1 A 11 11 ASN CA C 11 51.358 50.602 0.756 1
1 35 . 2 1 1 A 11 11 ASN HA H 11 4.872 5.025 -0.153 1
1 36 . 2 1 1 A 11 11 ASN CB C 11 39.215 39.910 -0.695 1
1 41 . 2 1 1 A 11 11 ASN C C 11 173.417 174.920 -1.503 1
1 43 . 2 1 1 A 12 12 PRO CA C 12 63.071 64.312 -1.241 1
1 44 . 2 1 1 A 12 12 PRO HA H 12 4.304 3.965 0.339 1
1 45 . 2 1 1 A 12 12 PRO CB C 12 32.343 31.719 0.624 1
1 51 . 2 1 1 A 12 12 PRO C C 12 175.981 175.757 0.224 1
1 55 . 2 1 1 A 13 13 PHE N N 13 119.314 116.148 3.166 1
1 56 . 2 1 1 A 13 13 PHE H H 13 8.292 7.402 0.890 1
1 57 . 2 1 1 A 13 13 PHE CA C 13 57.055 56.448 0.607 1
1 58 . 2 1 1 A 13 13 PHE HA H 13 4.705 5.138 -0.433 1
1 59 . 2 1 1 A 13 13 PHE CB C 13 39.402 43.570 -4.168 1
1 71 . 2 1 1 A 13 13 PHE C C 13 174.054 174.195 -0.141 1
1 73 . 2 1 1 A 14 14 ILE N N 14 122.850 120.820 2.030 1
1 74 . 2 1 1 A 14 14 ILE H H 14 8.311 8.632 -0.321 1
1 75 . 2 1 1 A 14 14 ILE CA C 14 59.824 59.872 -0.048 1
1 76 . 2 1 1 A 14 14 ILE HA H 14 4.848 4.933 -0.085 1
1 77 . 2 1 1 A 14 14 ILE CB C 14 41.237 41.908 -0.671 1
1 89 . 2 1 1 A 14 14 ILE C C 14 175.774 175.284 0.490 1
1 91 . 2 1 1 A 15 15 CYS N N 15 129.055 128.997 0.058 1
1 92 . 2 1 1 A 15 15 CYS H H 15 9.276 9.079 0.197 1
1 93 . 2 1 1 A 15 15 CYS CA C 15 59.920 60.314 -0.394 1
1 94 . 2 1 1 A 15 15 CYS HA H 15 4.586 4.416 0.170 1
1 95 . 2 1 1 A 15 15 CYS CB C 15 29.432 29.094 0.338 1
1 97 . 2 1 1 A 15 15 CYS C C 15 177.331 176.327 1.004 1
1 99 . 2 1 1 A 16 16 SER N N 16 114.664 122.382 -7.718 1
1 100 . 2 1 1 A 16 16 SER H H 16 9.283 9.167 0.116 1
1 101 . 2 1 1 A 16 16 SER CA C 16 61.085 58.216 2.869 1
1 102 . 2 1 1 A 16 16 SER HA H 16 4.215 4.659 -0.444 1
1 103 . 2 1 1 A 16 16 SER CB C 16 63.030 63.163 -0.133 1
1 105 . 2 1 1 A 16 16 SER C C 16 174.495 175.174 -0.679 1
1 107 . 2 1 1 A 17 17 GLU N N 17 122.474 121.381 1.093 1
1 108 . 2 1 1 A 17 17 GLU H H 17 8.603 7.970 0.633 1
1 109 . 2 1 1 A 17 17 GLU CA C 17 58.006 57.229 0.777 1
1 110 . 2 1 1 A 17 17 GLU HA H 17 4.251 4.393 -0.142 1
1 111 . 2 1 1 A 17 17 GLU CB C 17 29.542 31.534 -1.992 1
1 115 . 2 1 1 A 17 17 GLU C C 17 177.153 177.661 -0.508 1
1 118 . 2 1 1 A 18 18 CYS N N 18 114.558 114.625 -0.067 1
1 119 . 2 1 1 A 18 18 CYS H H 18 7.882 8.070 -0.188 1
1 120 . 2 1 1 A 18 18 CYS CA C 18 58.430 59.730 -1.300 1
1 121 . 2 1 1 A 18 18 CYS HA H 18 5.183 4.630 0.553 1
1 122 . 2 1 1 A 18 18 CYS CB C 18 32.630 29.860 2.770 1
1 124 . 2 1 1 A 18 18 CYS C C 18 176.361 175.462 0.899 1
1 126 . 2 1 1 A 19 19 GLY N N 19 113.615 109.934 3.681 1
1 127 . 2 1 1 A 19 19 GLY H H 19 8.332 8.140 0.192 1
1 128 . 2 1 1 A 19 19 GLY CA C 19 46.106 45.422 0.684 1
1 129 . 2 1 1 A 19 19 GLY HA3 H 19 3.733 4.088 -0.355 1
1 130 . 2 1 1 A 19 19 GLY C C 19 173.422 174.453 -1.031 1
1 131 . 2 1 1 A 19 19 GLY HA2 H 19 4.186 4.071 0.115 1
1 132 . 2 1 1 A 20 20 LYS N N 20 122.607 120.848 1.759 1
1 133 . 2 1 1 A 20 20 LYS H H 20 7.917 7.801 0.116 1
1 134 . 2 1 1 A 20 20 LYS CA C 20 58.336 54.688 3.648 1
1 135 . 2 1 1 A 20 20 LYS HA H 20 3.994 4.626 -0.632 1
1 136 . 2 1 1 A 20 20 LYS CB C 20 33.765 34.458 -0.693 1
1 144 . 2 1 1 A 20 20 LYS C C 20 174.018 175.342 -1.324 1
1 149 . 2 1 1 A 21 21 VAL N N 21 119.988 125.605 -5.617 1
1 150 . 2 1 1 A 21 21 VAL H H 21 7.622 8.519 -0.897 1
1 151 . 2 1 1 A 21 21 VAL CA C 21 61.260 61.441 -0.181 1
1 152 . 2 1 1 A 21 21 VAL HA H 21 4.565 5.041 -0.476 1
1 153 . 2 1 1 A 21 21 VAL CB C 21 33.625 32.603 1.022 1
1 163 . 2 1 1 A 21 21 VAL C C 21 175.348 175.086 0.262 1
1 164 . 2 1 1 A 22 22 PHE N N 22 122.931 125.046 -2.115 1
1 165 . 2 1 1 A 22 22 PHE H H 22 8.909 8.585 0.324 1
1 166 . 2 1 1 A 22 22 PHE CA C 22 57.177 56.674 0.503 1
1 167 . 2 1 1 A 22 22 PHE HA H 22 4.774 4.883 -0.109 1
1 168 . 2 1 1 A 22 22 PHE CB C 22 42.896 42.737 0.159 1
1 180 . 2 1 1 A 22 22 PHE C C 22 175.213 175.912 -0.699 1
1 182 . 2 1 1 A 23 23 THR N N 23 113.904 116.777 -2.873 1
1 183 . 2 1 1 A 23 23 THR H H 23 8.911 8.738 0.173 1
1 184 . 2 1 1 A 23 23 THR CA C 23 63.768 65.281 -1.513 1
1 185 . 2 1 1 A 23 23 THR HA H 23 4.347 4.442 -0.095 1
1 186 . 2 1 1 A 23 23 THR CB C 23 69.464 69.387 0.077 1
1 192 . 2 1 1 A 23 23 THR C C 23 174.304 174.899 -0.595 1
1 193 . 2 1 1 A 24 24 HIS N N 24 118.243 119.904 -1.661 1
1 194 . 2 1 1 A 24 24 HIS H H 24 7.673 8.017 -0.344 1
1 195 . 2 1 1 A 24 24 HIS CA C 24 55.567 54.660 0.907 1
1 196 . 2 1 1 A 24 24 HIS HA H 24 4.801 4.911 -0.110 1
1 197 . 2 1 1 A 24 24 HIS CB C 24 33.368 31.807 1.561 1
1 203 . 2 1 1 A 24 24 HIS C C 24 175.494 175.374 0.120 1
1 205 . 2 1 1 A 25 25 LYS N N 25 127.606 125.040 2.566 1
1 206 . 2 1 1 A 25 25 LYS H H 25 8.431 8.462 -0.031 1
1 207 . 2 1 1 A 25 25 LYS CA C 25 59.580 59.873 -0.293 1
1 208 . 2 1 1 A 25 25 LYS HA H 25 2.970 3.066 -0.096 1
1 209 . 2 1 1 A 25 25 LYS CB C 25 31.932 31.485 0.447 1
1 216 . 2 1 1 A 25 25 LYS C C 25 178.019 178.078 -0.059 1
1 221 . 2 1 1 A 26 26 THR N N 26 111.783 117.229 -5.446 1
1 222 . 2 1 1 A 26 26 THR H H 26 8.670 7.730 0.940 1
1 223 . 2 1 1 A 26 26 THR CA C 26 65.774 67.340 -1.566 1
1 224 . 2 1 1 A 26 26 THR HA H 26 3.753 3.842 -0.089 1
1 225 . 2 1 1 A 26 26 THR CB C 26 68.322 68.139 0.183 1
1 231 . 2 1 1 A 26 26 THR C C 26 176.052 176.558 -0.506 1
1 232 . 2 1 1 A 27 27 ASN N N 27 116.833 119.827 -2.994 1
1 233 . 2 1 1 A 27 27 ASN H H 27 6.988 8.212 -1.224 1
1 234 . 2 1 1 A 27 27 ASN CA C 27 55.638 56.473 -0.835 1
1 235 . 2 1 1 A 27 27 ASN HA H 27 4.441 4.559 -0.118 1
1 236 . 2 1 1 A 27 27 ASN CB C 27 38.215 38.641 -0.426 1
1 241 . 2 1 1 A 27 27 ASN C C 27 177.347 177.849 -0.502 1
1 243 . 2 1 1 A 28 28 LEU N N 28 122.994 120.897 2.097 1
1 244 . 2 1 1 A 28 28 LEU H H 28 6.999 7.487 -0.488 1
1 245 . 2 1 1 A 28 28 LEU CA C 28 57.966 57.674 0.292 1
1 246 . 2 1 1 A 28 28 LEU HA H 28 2.973 2.414 0.559 1
1 247 . 2 1 1 A 28 28 LEU CB C 28 40.441 40.987 -0.546 1
1 259 . 2 1 1 A 28 28 LEU C C 28 177.008 178.093 -1.085 1
1 261 . 2 1 1 A 29 29 ILE N N 29 119.568 119.580 -0.012 1
1 262 . 2 1 1 A 29 29 ILE H H 29 7.936 7.821 0.115 1
1 263 . 2 1 1 A 29 29 ILE CA C 29 64.632 65.272 -0.640 1
1 264 . 2 1 1 A 29 29 ILE HA H 29 3.709 3.437 0.272 1
1 265 . 2 1 1 A 29 29 ILE CB C 29 37.474 37.879 -0.405 1
1 277 . 2 1 1 A 29 29 ILE C C 29 179.171 178.253 0.918 1
1 279 . 2 1 1 A 30 30 ILE N N 30 119.207 120.114 -0.907 1
1 280 . 2 1 1 A 30 30 ILE H H 30 7.589 8.048 -0.459 1
1 281 . 2 1 1 A 30 30 ILE CA C 30 64.891 64.884 0.007 1
1 282 . 2 1 1 A 30 30 ILE HA H 30 3.617 3.535 0.082 1
1 283 . 2 1 1 A 30 30 ILE CB C 30 38.513 37.532 0.981 1
1 295 . 2 1 1 A 30 30 ILE C C 30 178.757 178.310 0.447 1
1 297 . 2 1 1 A 31 31 HIS N N 31 119.828 120.322 -0.494 1
1 298 . 2 1 1 A 31 31 HIS H H 31 7.534 8.006 -0.472 1
1 299 . 2 1 1 A 31 31 HIS CA C 31 59.278 60.115 -0.837 1
1 300 . 2 1 1 A 31 31 HIS HA H 31 4.193 4.102 0.091 1
1 301 . 2 1 1 A 31 31 HIS CB C 31 28.635 29.584 -0.949 1
1 307 . 2 1 1 A 31 31 HIS C C 31 176.316 177.199 -0.883 1
1 309 . 2 1 1 A 32 32 GLN N N 32 115.270 118.038 -2.768 1
1 310 . 2 1 1 A 32 32 GLN H H 32 8.431 8.216 0.215 1
1 311 . 2 1 1 A 32 32 GLN CA C 32 59.504 59.102 0.402 1
1 312 . 2 1 1 A 32 32 GLN HA H 32 3.661 4.087 -0.426 1
1 313 . 2 1 1 A 32 32 GLN CB C 32 28.316 28.416 -0.100 1
1 320 . 2 1 1 A 32 32 GLN C C 32 177.585 178.269 -0.684 1
1 323 . 2 1 1 A 33 33 LYS N N 33 117.874 118.562 -0.688 1
1 324 . 2 1 1 A 33 33 LYS H H 33 7.208 7.510 -0.302 1
1 325 . 2 1 1 A 33 33 LYS CA C 33 58.591 58.161 0.430 1
1 326 . 2 1 1 A 33 33 LYS HA H 33 4.110 4.289 -0.179 1
1 327 . 2 1 1 A 33 33 LYS CB C 33 32.257 32.295 -0.038 1
1 335 . 2 1 1 A 33 33 LYS C C 33 178.936 178.414 0.522 1
1 340 . 2 1 1 A 34 34 ILE N N 34 116.468 115.018 1.450 1
1 341 . 2 1 1 A 34 34 ILE H H 34 7.885 7.940 -0.055 1
1 342 . 2 1 1 A 34 34 ILE CA C 34 63.144 62.681 0.463 1
1 343 . 2 1 1 A 34 34 ILE HA H 34 3.968 3.875 0.093 1
1 344 . 2 1 1 A 34 34 ILE CB C 34 37.733 37.028 0.705 1
1 356 . 2 1 1 A 34 34 ILE C C 34 177.569 175.881 1.688 1
1 358 . 2 1 1 A 35 35 HIS N N 35 117.615 119.070 -1.455 1
1 359 . 2 1 1 A 35 35 HIS H H 35 7.189 8.200 -1.011 1
1 360 . 2 1 1 A 35 35 HIS CA C 35 55.293 56.763 -1.470 1
1 361 . 2 1 1 A 35 35 HIS HA H 35 4.851 4.724 0.127 1
1 362 . 2 1 1 A 35 35 HIS CB C 35 28.494 31.751 -3.257 1
1 368 . 2 1 1 A 35 35 HIS C C 35 175.810 175.040 0.770 1
1 370 . 2 1 1 A 36 36 THR N N 36 111.886 111.233 0.653 1
1 371 . 2 1 1 A 36 36 THR H H 36 7.768 7.365 0.403 1
1 372 . 2 1 1 A 36 36 THR CA C 36 62.648 61.066 1.582 1
1 373 . 2 1 1 A 36 36 THR HA H 36 4.341 4.381 -0.040 1
1 374 . 2 1 1 A 36 36 THR CB C 36 69.832 70.697 -0.865 1
1 380 . 2 1 1 A 36 36 THR C C 36 175.433 174.004 1.429 1
1 381 . 2 1 1 A 37 37 GLY N N 37 110.507 108.802 1.705 1
1 382 . 2 1 1 A 37 37 GLY H H 37 8.214 8.364 -0.150 1
1 383 . 2 1 1 A 37 37 GLY CA C 37 45.365 45.634 -0.269 1
1 384 . 2 1 1 A 37 37 GLY HA3 H 37 4.013 4.054 -0.041 1
1 385 . 2 1 1 A 37 37 GLY C C 37 174.057 174.330 -0.273 1
1 386 . 2 1 1 A 37 37 GLY HA2 H 37 3.972 4.053 -0.081 1
1 387 . 2 1 1 A 38 38 GLU N N 38 120.478 119.997 0.481 1
1 388 . 2 1 1 A 38 38 GLU H H 38 8.114 8.029 0.085 1
1 389 . 2 1 1 A 38 38 GLU CA C 38 56.517 56.506 0.011 1
1 390 . 2 1 1 A 38 38 GLU HA H 38 4.258 4.399 -0.141 1
1 391 . 2 1 1 A 38 38 GLU CB C 38 30.505 30.427 0.078 1
1 395 . 2 1 1 A 38 38 GLU C C 38 176.260 175.572 0.688 1
1 398 . 2 1 1 A 39 39 ARG N N 39 123.108 123.447 -0.339 1
1 399 . 2 1 1 A 39 39 ARG H H 39 8.347 8.485 -0.138 1
1 400 . 2 1 1 A 39 39 ARG CA C 39 53.836 52.754 1.082 1
1 401 . 2 1 1 A 39 39 ARG HA H 39 4.641 4.766 -0.125 1
1 402 . 2 1 1 A 39 39 ARG CB C 39 30.295 33.548 -3.253 1
1 408 . 2 1 1 A 39 39 ARG C C 39 174.196 175.515 -1.319 1
1 412 . 2 1 1 A 40 40 PRO CA C 40 63.247 64.740 -1.493 1
1 413 . 2 1 1 A 40 40 PRO HA H 40 4.475 4.482 -0.007 1
1 414 . 2 1 1 A 40 40 PRO CB C 40 32.174 32.129 0.045 1
1 423 . 2 1 1 A 41 41 SER N N 41 116.362 108.417 7.945 1
1 424 . 2 1 1 A 41 41 SER H H 41 8.471 7.560 0.911 1
1 425 . 2 1 1 A 41 41 SER CA C 41 58.579 57.710 0.869 1
1 426 . 2 1 1 A 41 41 SER HA H 41 4.503 4.819 -0.316 1
1 427 . 2 1 1 A 41 41 SER CB C 41 63.945 65.598 -1.653 1
1 430 . 2 1 1 A 42 42 GLY CA C 42 44.665 43.624 1.041 1
1 431 . 2 1 1 A 42 42 GLY HA3 H 42 4.158 4.287 -0.129 1
1 432 . 2 1 1 A 42 42 GLY HA2 H 42 4.116 4.287 -0.171 1
1 433 . 2 1 1 A 43 43 PRO CA C 43 63.255 64.073 -0.818 1
1 434 . 2 1 1 A 43 43 PRO HA H 43 4.474 4.434 0.040 1
1 435 . 2 1 1 A 43 43 PRO CB C 43 32.218 31.962 0.256 1
1 444 . 2 1 1 A 45 45 SER CA C 45 58.342 57.639 0.703 1
1 445 . 2 1 1 A 45 45 SER HA H 45 4.495 4.882 -0.387 1
1 446 . 2 1 1 A 45 45 SER CB C 45 63.915 67.173 -3.258 1
1 447 . 2 1 1 A 45 45 SER C C 45 173.905 175.044 -1.139 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.450 45.786 -0.336 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.030 4.294 -0.264 1
1 3 . 3 1 1 A 7 7 GLY HA2 H 7 4.030 4.292 -0.262 1
1 4 . 3 1 1 A 8 8 THR N N 8 112.777 114.077 -1.300 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.142 7.917 0.225 1
1 6 . 3 1 1 A 8 8 THR CA C 8 61.874 63.555 -1.681 1
1 7 . 3 1 1 A 8 8 THR HA H 8 4.374 4.337 0.037 1
1 8 . 3 1 1 A 8 8 THR CB C 8 69.838 70.318 -0.480 1
1 14 . 3 1 1 A 8 8 THR C C 8 174.631 174.829 -0.198 1
1 15 . 3 1 1 A 9 9 GLY N N 9 110.604 109.246 1.358 1
1 16 . 3 1 1 A 9 9 GLY H H 9 8.219 8.072 0.147 1
1 17 . 3 1 1 A 9 9 GLY CA C 9 45.339 46.636 -1.297 1
1 18 . 3 1 1 A 9 9 GLY HA3 H 9 3.974 3.856 0.118 1
1 19 . 3 1 1 A 9 9 GLY C C 9 173.976 173.509 0.467 1
1 20 . 3 1 1 A 9 9 GLY HA2 H 9 3.929 3.855 0.074 1
1 21 . 3 1 1 A 10 10 GLU N N 10 120.077 123.468 -3.391 1
1 22 . 3 1 1 A 10 10 GLU H H 10 8.193 8.695 -0.502 1
1 23 . 3 1 1 A 10 10 GLU CA C 10 56.334 55.420 0.914 1
1 24 . 3 1 1 A 10 10 GLU HA H 10 4.257 4.900 -0.643 1
1 25 . 3 1 1 A 10 10 GLU CB C 10 30.542 31.734 -1.192 1
1 29 . 3 1 1 A 10 10 GLU C C 10 175.869 175.081 0.788 1
1 32 . 3 1 1 A 11 11 ASN N N 11 120.072 123.684 -3.612 1
1 33 . 3 1 1 A 11 11 ASN H H 11 8.365 8.433 -0.068 1
1 34 . 3 1 1 A 11 11 ASN CA C 11 51.358 50.219 1.139 1
1 35 . 3 1 1 A 11 11 ASN HA H 11 4.872 5.055 -0.183 1
1 36 . 3 1 1 A 11 11 ASN CB C 11 39.215 40.817 -1.602 1
1 41 . 3 1 1 A 11 11 ASN C C 11 173.417 175.145 -1.728 1
1 43 . 3 1 1 A 12 12 PRO CA C 12 63.071 64.386 -1.315 1
1 44 . 3 1 1 A 12 12 PRO HA H 12 4.304 4.012 0.292 1
1 45 . 3 1 1 A 12 12 PRO CB C 12 32.343 31.657 0.686 1
1 51 . 3 1 1 A 12 12 PRO C C 12 175.981 175.976 0.005 1
1 55 . 3 1 1 A 13 13 PHE N N 13 119.314 116.040 3.274 1
1 56 . 3 1 1 A 13 13 PHE H H 13 8.292 7.442 0.850 1
1 57 . 3 1 1 A 13 13 PHE CA C 13 57.055 56.362 0.693 1
1 58 . 3 1 1 A 13 13 PHE HA H 13 4.705 5.205 -0.500 1
1 59 . 3 1 1 A 13 13 PHE CB C 13 39.402 43.727 -4.325 1
1 71 . 3 1 1 A 13 13 PHE C C 13 174.054 174.292 -0.238 1
1 73 . 3 1 1 A 14 14 ILE N N 14 122.850 121.486 1.364 1
1 74 . 3 1 1 A 14 14 ILE H H 14 8.311 9.113 -0.802 1
1 75 . 3 1 1 A 14 14 ILE CA C 14 59.824 59.679 0.145 1
1 76 . 3 1 1 A 14 14 ILE HA H 14 4.848 4.952 -0.104 1
1 77 . 3 1 1 A 14 14 ILE CB C 14 41.237 42.069 -0.832 1
1 89 . 3 1 1 A 14 14 ILE C C 14 175.774 174.916 0.858 1
1 91 . 3 1 1 A 15 15 CYS N N 15 129.055 126.172 2.883 1
1 92 . 3 1 1 A 15 15 CYS H H 15 9.276 8.481 0.795 1
1 93 . 3 1 1 A 15 15 CYS CA C 15 59.920 57.427 2.493 1
1 94 . 3 1 1 A 15 15 CYS HA H 15 4.586 4.752 -0.166 1
1 95 . 3 1 1 A 15 15 CYS CB C 15 29.432 27.203 2.229 1
1 97 . 3 1 1 A 15 15 CYS C C 15 177.331 174.754 2.577 1
1 99 . 3 1 1 A 16 16 SER N N 16 114.664 123.066 -8.402 1
1 100 . 3 1 1 A 16 16 SER H H 16 9.283 8.005 1.278 1
1 101 . 3 1 1 A 16 16 SER CA C 16 61.085 61.249 -0.164 1
1 102 . 3 1 1 A 16 16 SER HA H 16 4.215 4.083 0.132 1
1 103 . 3 1 1 A 16 16 SER CB C 16 63.030 62.804 0.226 1
1 105 . 3 1 1 A 16 16 SER C C 16 174.495 176.701 -2.206 1
1 107 . 3 1 1 A 17 17 GLU N N 17 122.474 121.130 1.344 1
1 108 . 3 1 1 A 17 17 GLU H H 17 8.603 8.256 0.347 1
1 109 . 3 1 1 A 17 17 GLU CA C 17 58.006 58.831 -0.825 1
1 110 . 3 1 1 A 17 17 GLU HA H 17 4.251 3.906 0.345 1
1 111 . 3 1 1 A 17 17 GLU CB C 17 29.542 28.813 0.729 1
1 115 . 3 1 1 A 17 17 GLU C C 17 177.153 177.999 -0.846 1
1 118 . 3 1 1 A 18 18 CYS N N 18 114.558 114.878 -0.320 1
1 119 . 3 1 1 A 18 18 CYS H H 18 7.882 7.726 0.156 1
1 120 . 3 1 1 A 18 18 CYS CA C 18 58.430 59.667 -1.237 1
1 121 . 3 1 1 A 18 18 CYS HA H 18 5.183 4.526 0.657 1
1 122 . 3 1 1 A 18 18 CYS CB C 18 32.630 29.517 3.113 1
1 124 . 3 1 1 A 18 18 CYS C C 18 176.361 175.276 1.085 1
1 126 . 3 1 1 A 19 19 GLY N N 19 113.615 110.190 3.425 1
1 127 . 3 1 1 A 19 19 GLY H H 19 8.332 8.239 0.093 1
1 128 . 3 1 1 A 19 19 GLY CA C 19 46.106 45.379 0.727 1
1 129 . 3 1 1 A 19 19 GLY HA3 H 19 3.733 4.068 -0.335 1
1 130 . 3 1 1 A 19 19 GLY C C 19 173.422 174.328 -0.906 1
1 131 . 3 1 1 A 19 19 GLY HA2 H 19 4.186 4.053 0.133 1
1 132 . 3 1 1 A 20 20 LYS N N 20 122.607 120.842 1.765 1
1 133 . 3 1 1 A 20 20 LYS H H 20 7.917 7.784 0.133 1
1 134 . 3 1 1 A 20 20 LYS CA C 20 58.336 54.694 3.642 1
1 135 . 3 1 1 A 20 20 LYS HA H 20 3.994 4.615 -0.621 1
1 136 . 3 1 1 A 20 20 LYS CB C 20 33.765 34.769 -1.004 1
1 144 . 3 1 1 A 20 20 LYS C C 20 174.018 174.446 -0.428 1
1 149 . 3 1 1 A 21 21 VAL N N 21 119.988 124.978 -4.990 1
1 150 . 3 1 1 A 21 21 VAL H H 21 7.622 8.568 -0.946 1
1 151 . 3 1 1 A 21 21 VAL CA C 21 61.260 59.787 1.473 1
1 152 . 3 1 1 A 21 21 VAL HA H 21 4.565 5.276 -0.711 1
1 153 . 3 1 1 A 21 21 VAL CB C 21 33.625 34.163 -0.538 1
1 163 . 3 1 1 A 21 21 VAL C C 21 175.348 173.769 1.579 1
1 164 . 3 1 1 A 22 22 PHE N N 22 122.931 126.346 -3.415 1
1 165 . 3 1 1 A 22 22 PHE H H 22 8.909 8.812 0.097 1
1 166 . 3 1 1 A 22 22 PHE CA C 22 57.177 56.422 0.755 1
1 167 . 3 1 1 A 22 22 PHE HA H 22 4.774 4.925 -0.151 1
1 168 . 3 1 1 A 22 22 PHE CB C 22 42.896 42.823 0.073 1
1 180 . 3 1 1 A 22 22 PHE C C 22 175.213 176.054 -0.841 1
1 182 . 3 1 1 A 23 23 THR N N 23 113.904 116.556 -2.652 1
1 183 . 3 1 1 A 23 23 THR H H 23 8.911 8.721 0.190 1
1 184 . 3 1 1 A 23 23 THR CA C 23 63.768 64.163 -0.395 1
1 185 . 3 1 1 A 23 23 THR HA H 23 4.347 4.484 -0.137 1
1 186 . 3 1 1 A 23 23 THR CB C 23 69.464 69.391 0.073 1
1 192 . 3 1 1 A 23 23 THR C C 23 174.304 174.939 -0.635 1
1 193 . 3 1 1 A 24 24 HIS N N 24 118.243 119.626 -1.383 1
1 194 . 3 1 1 A 24 24 HIS H H 24 7.673 8.189 -0.516 1
1 195 . 3 1 1 A 24 24 HIS CA C 24 55.567 54.822 0.745 1
1 196 . 3 1 1 A 24 24 HIS HA H 24 4.801 5.052 -0.251 1
1 197 . 3 1 1 A 24 24 HIS CB C 24 33.368 31.775 1.593 1
1 203 . 3 1 1 A 24 24 HIS C C 24 175.494 175.730 -0.236 1
1 205 . 3 1 1 A 25 25 LYS N N 25 127.606 126.269 1.337 1
1 206 . 3 1 1 A 25 25 LYS H H 25 8.431 8.351 0.080 1
1 207 . 3 1 1 A 25 25 LYS CA C 25 59.580 60.066 -0.486 1
1 208 . 3 1 1 A 25 25 LYS HA H 25 2.970 3.314 -0.344 1
1 209 . 3 1 1 A 25 25 LYS CB C 25 31.932 31.694 0.238 1
1 216 . 3 1 1 A 25 25 LYS C C 25 178.019 178.361 -0.342 1
1 221 . 3 1 1 A 26 26 THR N N 26 111.783 114.685 -2.902 1
1 222 . 3 1 1 A 26 26 THR H H 26 8.670 8.274 0.396 1
1 223 . 3 1 1 A 26 26 THR CA C 26 65.774 65.760 0.014 1
1 224 . 3 1 1 A 26 26 THR HA H 26 3.753 3.882 -0.129 1
1 225 . 3 1 1 A 26 26 THR CB C 26 68.322 69.049 -0.727 1
1 231 . 3 1 1 A 26 26 THR C C 26 176.052 176.602 -0.550 1
1 232 . 3 1 1 A 27 27 ASN N N 27 116.833 119.949 -3.116 1
1 233 . 3 1 1 A 27 27 ASN H H 27 6.988 8.409 -1.421 1
1 234 . 3 1 1 A 27 27 ASN CA C 27 55.638 56.127 -0.489 1
1 235 . 3 1 1 A 27 27 ASN HA H 27 4.441 4.514 -0.073 1
1 236 . 3 1 1 A 27 27 ASN CB C 27 38.215 37.970 0.245 1
1 241 . 3 1 1 A 27 27 ASN C C 27 177.347 177.782 -0.435 1
1 243 . 3 1 1 A 28 28 LEU N N 28 122.994 119.474 3.520 1
1 244 . 3 1 1 A 28 28 LEU H H 28 6.999 7.734 -0.735 1
1 245 . 3 1 1 A 28 28 LEU CA C 28 57.966 57.372 0.594 1
1 246 . 3 1 1 A 28 28 LEU HA H 28 2.973 2.879 0.094 1
1 247 . 3 1 1 A 28 28 LEU CB C 28 40.441 41.462 -1.021 1
1 259 . 3 1 1 A 28 28 LEU C C 28 177.008 178.435 -1.427 1
1 261 . 3 1 1 A 29 29 ILE N N 29 119.568 119.491 0.077 1
1 262 . 3 1 1 A 29 29 ILE H H 29 7.936 8.327 -0.391 1
1 263 . 3 1 1 A 29 29 ILE CA C 29 64.632 65.260 -0.628 1
1 264 . 3 1 1 A 29 29 ILE HA H 29 3.709 3.533 0.176 1
1 265 . 3 1 1 A 29 29 ILE CB C 29 37.474 37.917 -0.443 1
1 277 . 3 1 1 A 29 29 ILE C C 29 179.171 178.374 0.797 1
1 279 . 3 1 1 A 30 30 ILE N N 30 119.207 120.870 -1.663 1
1 280 . 3 1 1 A 30 30 ILE H H 30 7.589 7.710 -0.121 1
1 281 . 3 1 1 A 30 30 ILE CA C 30 64.891 64.218 0.673 1
1 282 . 3 1 1 A 30 30 ILE HA H 30 3.617 3.803 -0.186 1
1 283 . 3 1 1 A 30 30 ILE CB C 30 38.513 36.883 1.630 1
1 295 . 3 1 1 A 30 30 ILE C C 30 178.757 178.215 0.542 1
1 297 . 3 1 1 A 31 31 HIS N N 31 119.828 120.438 -0.610 1
1 298 . 3 1 1 A 31 31 HIS H H 31 7.534 8.016 -0.482 1
1 299 . 3 1 1 A 31 31 HIS CA C 31 59.278 59.404 -0.126 1
1 300 . 3 1 1 A 31 31 HIS HA H 31 4.193 4.034 0.159 1
1 301 . 3 1 1 A 31 31 HIS CB C 31 28.635 29.610 -0.975 1
1 307 . 3 1 1 A 31 31 HIS C C 31 176.316 177.280 -0.964 1
1 309 . 3 1 1 A 32 32 GLN N N 32 115.270 118.764 -3.494 1
1 310 . 3 1 1 A 32 32 GLN H H 32 8.431 8.474 -0.043 1
1 311 . 3 1 1 A 32 32 GLN CA C 32 59.504 58.409 1.095 1
1 312 . 3 1 1 A 32 32 GLN HA H 32 3.661 4.087 -0.426 1
1 313 . 3 1 1 A 32 32 GLN CB C 32 28.316 28.404 -0.088 1
1 320 . 3 1 1 A 32 32 GLN C C 32 177.585 178.428 -0.843 1
1 323 . 3 1 1 A 33 33 LYS N N 33 117.874 118.739 -0.865 1
1 324 . 3 1 1 A 33 33 LYS H H 33 7.208 7.496 -0.288 1
1 325 . 3 1 1 A 33 33 LYS CA C 33 58.591 58.148 0.443 1
1 326 . 3 1 1 A 33 33 LYS HA H 33 4.110 4.000 0.110 1
1 327 . 3 1 1 A 33 33 LYS CB C 33 32.257 32.200 0.057 1
1 335 . 3 1 1 A 33 33 LYS C C 33 178.936 178.521 0.415 1
1 340 . 3 1 1 A 34 34 ILE N N 34 116.468 114.358 2.110 1
1 341 . 3 1 1 A 34 34 ILE H H 34 7.885 7.325 0.560 1
1 342 . 3 1 1 A 34 34 ILE CA C 34 63.144 62.226 0.918 1
1 343 . 3 1 1 A 34 34 ILE HA H 34 3.968 3.888 0.080 1
1 344 . 3 1 1 A 34 34 ILE CB C 34 37.733 37.148 0.585 1
1 356 . 3 1 1 A 34 34 ILE C C 34 177.569 176.045 1.524 1
1 358 . 3 1 1 A 35 35 HIS N N 35 117.615 119.852 -2.237 1
1 359 . 3 1 1 A 35 35 HIS H H 35 7.189 8.013 -0.824 1
1 360 . 3 1 1 A 35 35 HIS CA C 35 55.293 56.019 -0.726 1
1 361 . 3 1 1 A 35 35 HIS HA H 35 4.851 4.648 0.203 1
1 362 . 3 1 1 A 35 35 HIS CB C 35 28.494 31.144 -2.650 1
1 368 . 3 1 1 A 35 35 HIS C C 35 175.810 176.226 -0.416 1
1 370 . 3 1 1 A 36 36 THR N N 36 111.886 109.613 2.273 1
1 371 . 3 1 1 A 36 36 THR H H 36 7.768 7.777 -0.009 1
1 372 . 3 1 1 A 36 36 THR CA C 36 62.648 62.715 -0.067 1
1 373 . 3 1 1 A 36 36 THR HA H 36 4.341 4.251 0.090 1
1 374 . 3 1 1 A 36 36 THR CB C 36 69.832 70.233 -0.401 1
1 380 . 3 1 1 A 36 36 THR C C 36 175.433 175.254 0.179 1
1 381 . 3 1 1 A 37 37 GLY N N 37 110.507 110.571 -0.064 1
1 382 . 3 1 1 A 37 37 GLY H H 37 8.214 7.949 0.265 1
1 383 . 3 1 1 A 37 37 GLY CA C 37 45.365 45.962 -0.597 1
1 384 . 3 1 1 A 37 37 GLY HA3 H 37 4.013 3.950 0.063 1
1 385 . 3 1 1 A 37 37 GLY C C 37 174.057 174.230 -0.173 1
1 386 . 3 1 1 A 37 37 GLY HA2 H 37 3.972 3.940 0.032 1
1 387 . 3 1 1 A 38 38 GLU N N 38 120.478 123.012 -2.534 1
1 388 . 3 1 1 A 38 38 GLU H H 38 8.114 8.362 -0.248 1
1 389 . 3 1 1 A 38 38 GLU CA C 38 56.517 56.111 0.406 1
1 390 . 3 1 1 A 38 38 GLU HA H 38 4.258 4.388 -0.130 1
1 391 . 3 1 1 A 38 38 GLU CB C 38 30.505 30.758 -0.253 1
1 395 . 3 1 1 A 38 38 GLU C C 38 176.260 176.268 -0.008 1
1 398 . 3 1 1 A 39 39 ARG N N 39 123.108 124.374 -1.266 1
1 399 . 3 1 1 A 39 39 ARG H H 39 8.347 8.399 -0.052 1
1 400 . 3 1 1 A 39 39 ARG CA C 39 53.836 55.180 -1.344 1
1 401 . 3 1 1 A 39 39 ARG HA H 39 4.641 4.394 0.247 1
1 402 . 3 1 1 A 39 39 ARG CB C 39 30.295 30.475 -0.180 1
1 408 . 3 1 1 A 39 39 ARG C C 39 174.196 175.529 -1.333 1
1 412 . 3 1 1 A 40 40 PRO CA C 40 63.247 62.291 0.956 1
1 413 . 3 1 1 A 40 40 PRO HA H 40 4.475 4.540 -0.065 1
1 414 . 3 1 1 A 40 40 PRO CB C 40 32.174 32.664 -0.490 1
1 423 . 3 1 1 A 41 41 SER N N 41 116.362 118.020 -1.658 1
1 424 . 3 1 1 A 41 41 SER H H 41 8.471 8.416 0.055 1
1 425 . 3 1 1 A 41 41 SER CA C 41 58.579 59.733 -1.154 1
1 426 . 3 1 1 A 41 41 SER HA H 41 4.503 4.326 0.177 1
1 427 . 3 1 1 A 41 41 SER CB C 41 63.945 64.348 -0.403 1
1 430 . 3 1 1 A 42 42 GLY CA C 42 44.665 45.481 -0.816 1
1 431 . 3 1 1 A 42 42 GLY HA3 H 42 4.158 4.053 0.105 1
1 432 . 3 1 1 A 42 42 GLY HA2 H 42 4.116 4.053 0.063 1
1 433 . 3 1 1 A 43 43 PRO CA C 43 63.255 64.804 -1.549 1
1 434 . 3 1 1 A 43 43 PRO HA H 43 4.474 4.401 0.073 1
1 435 . 3 1 1 A 43 43 PRO CB C 43 32.218 31.926 0.292 1
1 444 . 3 1 1 A 45 45 SER CA C 45 58.342 59.220 -0.878 1
1 445 . 3 1 1 A 45 45 SER HA H 45 4.495 4.704 -0.209 1
1 446 . 3 1 1 A 45 45 SER CB C 45 63.915 65.396 -1.481 1
1 447 . 3 1 1 A 45 45 SER C C 45 173.905 174.485 -0.580 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.450 45.325 0.125 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.030 4.123 -0.093 1
1 3 . 4 1 1 A 7 7 GLY HA2 H 7 4.030 4.123 -0.093 1
1 4 . 4 1 1 A 8 8 THR N N 8 112.777 115.507 -2.730 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.142 8.460 -0.318 1
1 6 . 4 1 1 A 8 8 THR CA C 8 61.874 63.219 -1.345 1
1 7 . 4 1 1 A 8 8 THR HA H 8 4.374 4.099 0.275 1
1 8 . 4 1 1 A 8 8 THR CB C 8 69.838 69.020 0.818 1
1 14 . 4 1 1 A 8 8 THR C C 8 174.631 175.997 -1.366 1
1 15 . 4 1 1 A 9 9 GLY N N 9 110.604 113.314 -2.710 1
1 16 . 4 1 1 A 9 9 GLY H H 9 8.219 8.860 -0.641 1
1 17 . 4 1 1 A 9 9 GLY CA C 9 45.339 47.499 -2.160 1
1 18 . 4 1 1 A 9 9 GLY HA3 H 9 3.974 3.807 0.167 1
1 19 . 4 1 1 A 9 9 GLY C C 9 173.976 174.922 -0.946 1
1 20 . 4 1 1 A 9 9 GLY HA2 H 9 3.929 3.798 0.131 1
1 21 . 4 1 1 A 10 10 GLU N N 10 120.077 119.690 0.387 1
1 22 . 4 1 1 A 10 10 GLU H H 10 8.193 8.280 -0.087 1
1 23 . 4 1 1 A 10 10 GLU CA C 10 56.334 57.680 -1.346 1
1 24 . 4 1 1 A 10 10 GLU HA H 10 4.257 3.915 0.342 1
1 25 . 4 1 1 A 10 10 GLU CB C 10 30.542 28.616 1.926 1
1 29 . 4 1 1 A 10 10 GLU C C 10 175.869 174.902 0.967 1
1 32 . 4 1 1 A 11 11 ASN N N 11 120.072 116.673 3.399 1
1 33 . 4 1 1 A 11 11 ASN H H 11 8.365 7.726 0.639 1
1 34 . 4 1 1 A 11 11 ASN CA C 11 51.358 49.905 1.453 1
1 35 . 4 1 1 A 11 11 ASN HA H 11 4.872 5.121 -0.249 1
1 36 . 4 1 1 A 11 11 ASN CB C 11 39.215 41.550 -2.335 1
1 41 . 4 1 1 A 11 11 ASN C C 11 173.417 174.870 -1.453 1
1 43 . 4 1 1 A 12 12 PRO CA C 12 63.071 64.387 -1.316 1
1 44 . 4 1 1 A 12 12 PRO HA H 12 4.304 3.961 0.343 1
1 45 . 4 1 1 A 12 12 PRO CB C 12 32.343 31.808 0.535 1
1 51 . 4 1 1 A 12 12 PRO C C 12 175.981 175.628 0.353 1
1 55 . 4 1 1 A 13 13 PHE N N 13 119.314 116.126 3.188 1
1 56 . 4 1 1 A 13 13 PHE H H 13 8.292 7.419 0.873 1
1 57 . 4 1 1 A 13 13 PHE CA C 13 57.055 56.389 0.666 1
1 58 . 4 1 1 A 13 13 PHE HA H 13 4.705 5.123 -0.418 1
1 59 . 4 1 1 A 13 13 PHE CB C 13 39.402 43.376 -3.974 1
1 71 . 4 1 1 A 13 13 PHE C C 13 174.054 174.149 -0.095 1
1 73 . 4 1 1 A 14 14 ILE N N 14 122.850 120.319 2.531 1
1 74 . 4 1 1 A 14 14 ILE H H 14 8.311 8.516 -0.205 1
1 75 . 4 1 1 A 14 14 ILE CA C 14 59.824 60.242 -0.418 1
1 76 . 4 1 1 A 14 14 ILE HA H 14 4.848 4.917 -0.069 1
1 77 . 4 1 1 A 14 14 ILE CB C 14 41.237 42.226 -0.989 1
1 89 . 4 1 1 A 14 14 ILE C C 14 175.774 175.013 0.761 1
1 91 . 4 1 1 A 15 15 CYS N N 15 129.055 126.698 2.357 1
1 92 . 4 1 1 A 15 15 CYS H H 15 9.276 8.419 0.857 1
1 93 . 4 1 1 A 15 15 CYS CA C 15 59.920 59.403 0.517 1
1 94 . 4 1 1 A 15 15 CYS HA H 15 4.586 4.651 -0.065 1
1 95 . 4 1 1 A 15 15 CYS CB C 15 29.432 28.408 1.024 1
1 97 . 4 1 1 A 15 15 CYS C C 15 177.331 175.834 1.497 1
1 99 . 4 1 1 A 16 16 SER N N 16 114.664 123.102 -8.438 1
1 100 . 4 1 1 A 16 16 SER H H 16 9.283 8.969 0.314 1
1 101 . 4 1 1 A 16 16 SER CA C 16 61.085 61.318 -0.233 1
1 102 . 4 1 1 A 16 16 SER HA H 16 4.215 4.221 -0.006 1
1 103 . 4 1 1 A 16 16 SER CB C 16 63.030 62.797 0.233 1
1 105 . 4 1 1 A 16 16 SER C C 16 174.495 176.601 -2.106 1
1 107 . 4 1 1 A 17 17 GLU N N 17 122.474 122.051 0.423 1
1 108 . 4 1 1 A 17 17 GLU H H 17 8.603 7.627 0.976 1
1 109 . 4 1 1 A 17 17 GLU CA C 17 58.006 58.773 -0.767 1
1 110 . 4 1 1 A 17 17 GLU HA H 17 4.251 3.869 0.382 1
1 111 . 4 1 1 A 17 17 GLU CB C 17 29.542 28.996 0.546 1
1 115 . 4 1 1 A 17 17 GLU C C 17 177.153 178.072 -0.919 1
1 118 . 4 1 1 A 18 18 CYS N N 18 114.558 114.800 -0.242 1
1 119 . 4 1 1 A 18 18 CYS H H 18 7.882 7.818 0.064 1
1 120 . 4 1 1 A 18 18 CYS CA C 18 58.430 59.748 -1.318 1
1 121 . 4 1 1 A 18 18 CYS HA H 18 5.183 4.640 0.543 1
1 122 . 4 1 1 A 18 18 CYS CB C 18 32.630 29.138 3.492 1
1 124 . 4 1 1 A 18 18 CYS C C 18 176.361 175.382 0.979 1
1 126 . 4 1 1 A 19 19 GLY N N 19 113.615 109.925 3.690 1
1 127 . 4 1 1 A 19 19 GLY H H 19 8.332 8.146 0.186 1
1 128 . 4 1 1 A 19 19 GLY CA C 19 46.106 45.421 0.685 1
1 129 . 4 1 1 A 19 19 GLY HA3 H 19 3.733 4.092 -0.359 1
1 130 . 4 1 1 A 19 19 GLY C C 19 173.422 174.449 -1.027 1
1 131 . 4 1 1 A 19 19 GLY HA2 H 19 4.186 4.080 0.106 1
1 132 . 4 1 1 A 20 20 LYS N N 20 122.607 121.061 1.546 1
1 133 . 4 1 1 A 20 20 LYS H H 20 7.917 7.794 0.123 1
1 134 . 4 1 1 A 20 20 LYS CA C 20 58.336 54.803 3.533 1
1 135 . 4 1 1 A 20 20 LYS HA H 20 3.994 4.627 -0.633 1
1 136 . 4 1 1 A 20 20 LYS CB C 20 33.765 34.389 -0.624 1
1 144 . 4 1 1 A 20 20 LYS C C 20 174.018 175.709 -1.691 1
1 149 . 4 1 1 A 21 21 VAL N N 21 119.988 126.135 -6.147 1
1 150 . 4 1 1 A 21 21 VAL H H 21 7.622 8.407 -0.785 1
1 151 . 4 1 1 A 21 21 VAL CA C 21 61.260 62.102 -0.842 1
1 152 . 4 1 1 A 21 21 VAL HA H 21 4.565 4.816 -0.251 1
1 153 . 4 1 1 A 21 21 VAL CB C 21 33.625 32.262 1.363 1
1 163 . 4 1 1 A 21 21 VAL C C 21 175.348 175.235 0.113 1
1 164 . 4 1 1 A 22 22 PHE N N 22 122.931 125.415 -2.484 1
1 165 . 4 1 1 A 22 22 PHE H H 22 8.909 9.236 -0.327 1
1 166 . 4 1 1 A 22 22 PHE CA C 22 57.177 56.334 0.843 1
1 167 . 4 1 1 A 22 22 PHE HA H 22 4.774 4.945 -0.171 1
1 168 . 4 1 1 A 22 22 PHE CB C 22 42.896 42.593 0.303 1
1 180 . 4 1 1 A 22 22 PHE C C 22 175.213 176.087 -0.874 1
1 182 . 4 1 1 A 23 23 THR N N 23 113.904 116.469 -2.565 1
1 183 . 4 1 1 A 23 23 THR H H 23 8.911 8.705 0.206 1
1 184 . 4 1 1 A 23 23 THR CA C 23 63.768 64.000 -0.232 1
1 185 . 4 1 1 A 23 23 THR HA H 23 4.347 4.513 -0.166 1
1 186 . 4 1 1 A 23 23 THR CB C 23 69.464 69.459 0.005 1
1 192 . 4 1 1 A 23 23 THR C C 23 174.304 175.089 -0.785 1
1 193 . 4 1 1 A 24 24 HIS N N 24 118.243 120.552 -2.309 1
1 194 . 4 1 1 A 24 24 HIS H H 24 7.673 8.128 -0.455 1
1 195 . 4 1 1 A 24 24 HIS CA C 24 55.567 54.586 0.981 1
1 196 . 4 1 1 A 24 24 HIS HA H 24 4.801 4.894 -0.093 1
1 197 . 4 1 1 A 24 24 HIS CB C 24 33.368 31.380 1.988 1
1 203 . 4 1 1 A 24 24 HIS C C 24 175.494 176.126 -0.632 1
1 205 . 4 1 1 A 25 25 LYS N N 25 127.606 125.352 2.254 1
1 206 . 4 1 1 A 25 25 LYS H H 25 8.431 8.200 0.231 1
1 207 . 4 1 1 A 25 25 LYS CA C 25 59.580 58.172 1.408 1
1 208 . 4 1 1 A 25 25 LYS HA H 25 2.970 2.987 -0.017 1
1 209 . 4 1 1 A 25 25 LYS CB C 25 31.932 31.145 0.787 1
1 216 . 4 1 1 A 25 25 LYS C C 25 178.019 177.791 0.228 1
1 221 . 4 1 1 A 26 26 THR N N 26 111.783 116.242 -4.459 1
1 222 . 4 1 1 A 26 26 THR H H 26 8.670 7.671 0.999 1
1 223 . 4 1 1 A 26 26 THR CA C 26 65.774 67.348 -1.574 1
1 224 . 4 1 1 A 26 26 THR HA H 26 3.753 3.749 0.004 1
1 225 . 4 1 1 A 26 26 THR CB C 26 68.322 68.509 -0.187 1
1 231 . 4 1 1 A 26 26 THR C C 26 176.052 175.968 0.084 1
1 232 . 4 1 1 A 27 27 ASN N N 27 116.833 119.612 -2.779 1
1 233 . 4 1 1 A 27 27 ASN H H 27 6.988 8.204 -1.216 1
1 234 . 4 1 1 A 27 27 ASN CA C 27 55.638 56.650 -1.012 1
1 235 . 4 1 1 A 27 27 ASN HA H 27 4.441 4.387 0.054 1
1 236 . 4 1 1 A 27 27 ASN CB C 27 38.215 39.589 -1.374 1
1 241 . 4 1 1 A 27 27 ASN C C 27 177.347 177.086 0.261 1
1 243 . 4 1 1 A 28 28 LEU N N 28 122.994 119.687 3.307 1
1 244 . 4 1 1 A 28 28 LEU H H 28 6.999 7.508 -0.509 1
1 245 . 4 1 1 A 28 28 LEU CA C 28 57.966 57.775 0.191 1
1 246 . 4 1 1 A 28 28 LEU HA H 28 2.973 2.334 0.639 1
1 247 . 4 1 1 A 28 28 LEU CB C 28 40.441 41.248 -0.807 1
1 259 . 4 1 1 A 28 28 LEU C C 28 177.008 178.466 -1.458 1
1 261 . 4 1 1 A 29 29 ILE N N 29 119.568 119.579 -0.011 1
1 262 . 4 1 1 A 29 29 ILE H H 29 7.936 7.882 0.054 1
1 263 . 4 1 1 A 29 29 ILE CA C 29 64.632 65.325 -0.693 1
1 264 . 4 1 1 A 29 29 ILE HA H 29 3.709 3.518 0.191 1
1 265 . 4 1 1 A 29 29 ILE CB C 29 37.474 37.941 -0.467 1
1 277 . 4 1 1 A 29 29 ILE C C 29 179.171 177.989 1.182 1
1 279 . 4 1 1 A 30 30 ILE N N 30 119.207 120.765 -1.558 1
1 280 . 4 1 1 A 30 30 ILE H H 30 7.589 7.915 -0.326 1
1 281 . 4 1 1 A 30 30 ILE CA C 30 64.891 64.435 0.456 1
1 282 . 4 1 1 A 30 30 ILE HA H 30 3.617 3.706 -0.089 1
1 283 . 4 1 1 A 30 30 ILE CB C 30 38.513 36.982 1.531 1
1 295 . 4 1 1 A 30 30 ILE C C 30 178.757 178.492 0.265 1
1 297 . 4 1 1 A 31 31 HIS N N 31 119.828 120.317 -0.489 1
1 298 . 4 1 1 A 31 31 HIS H H 31 7.534 7.932 -0.398 1
1 299 . 4 1 1 A 31 31 HIS CA C 31 59.278 59.834 -0.556 1
1 300 . 4 1 1 A 31 31 HIS HA H 31 4.193 4.265 -0.072 1
1 301 . 4 1 1 A 31 31 HIS CB C 31 28.635 29.851 -1.216 1
1 307 . 4 1 1 A 31 31 HIS C C 31 176.316 177.102 -0.786 1
1 309 . 4 1 1 A 32 32 GLN N N 32 115.270 117.371 -2.101 1
1 310 . 4 1 1 A 32 32 GLN H H 32 8.431 8.532 -0.101 1
1 311 . 4 1 1 A 32 32 GLN CA C 32 59.504 59.425 0.079 1
1 312 . 4 1 1 A 32 32 GLN HA H 32 3.661 4.084 -0.423 1
1 313 . 4 1 1 A 32 32 GLN CB C 32 28.316 28.411 -0.095 1
1 320 . 4 1 1 A 32 32 GLN C C 32 177.585 178.533 -0.948 1
1 323 . 4 1 1 A 33 33 LYS N N 33 117.874 120.006 -2.132 1
1 324 . 4 1 1 A 33 33 LYS H H 33 7.208 8.019 -0.811 1
1 325 . 4 1 1 A 33 33 LYS CA C 33 58.591 59.201 -0.610 1
1 326 . 4 1 1 A 33 33 LYS HA H 33 4.110 4.071 0.039 1
1 327 . 4 1 1 A 33 33 LYS CB C 33 32.257 32.587 -0.330 1
1 335 . 4 1 1 A 33 33 LYS C C 33 178.936 179.393 -0.457 1
1 340 . 4 1 1 A 34 34 ILE N N 34 116.468 117.783 -1.315 1
1 341 . 4 1 1 A 34 34 ILE H H 34 7.885 8.047 -0.162 1
1 342 . 4 1 1 A 34 34 ILE CA C 34 63.144 63.899 -0.755 1
1 343 . 4 1 1 A 34 34 ILE HA H 34 3.968 3.771 0.197 1
1 344 . 4 1 1 A 34 34 ILE CB C 34 37.733 37.359 0.374 1
1 356 . 4 1 1 A 34 34 ILE C C 34 177.569 177.394 0.175 1
1 358 . 4 1 1 A 35 35 HIS N N 35 117.615 119.546 -1.931 1
1 359 . 4 1 1 A 35 35 HIS H H 35 7.189 7.511 -0.322 1
1 360 . 4 1 1 A 35 35 HIS CA C 35 55.293 59.252 -3.959 1
1 361 . 4 1 1 A 35 35 HIS HA H 35 4.851 4.338 0.513 1
1 362 . 4 1 1 A 35 35 HIS CB C 35 28.494 30.951 -2.457 1
1 368 . 4 1 1 A 35 35 HIS C C 35 175.810 175.353 0.457 1
1 370 . 4 1 1 A 36 36 THR N N 36 111.886 112.947 -1.061 1
1 371 . 4 1 1 A 36 36 THR H H 36 7.768 7.844 -0.076 1
1 372 . 4 1 1 A 36 36 THR CA C 36 62.648 61.108 1.540 1
1 373 . 4 1 1 A 36 36 THR HA H 36 4.341 4.624 -0.283 1
1 374 . 4 1 1 A 36 36 THR CB C 36 69.832 70.946 -1.114 1
1 380 . 4 1 1 A 36 36 THR C C 36 175.433 173.764 1.669 1
1 381 . 4 1 1 A 37 37 GLY N N 37 110.507 113.024 -2.517 1
1 382 . 4 1 1 A 37 37 GLY H H 37 8.214 8.324 -0.110 1
1 383 . 4 1 1 A 37 37 GLY CA C 37 45.365 46.143 -0.778 1
1 384 . 4 1 1 A 37 37 GLY HA3 H 37 4.013 4.176 -0.163 1
1 385 . 4 1 1 A 37 37 GLY C C 37 174.057 173.246 0.811 1
1 386 . 4 1 1 A 37 37 GLY HA2 H 37 3.972 4.173 -0.201 1
1 387 . 4 1 1 A 38 38 GLU N N 38 120.478 120.252 0.226 1
1 388 . 4 1 1 A 38 38 GLU H H 38 8.114 8.096 0.018 1
1 389 . 4 1 1 A 38 38 GLU CA C 38 56.517 56.452 0.065 1
1 390 . 4 1 1 A 38 38 GLU HA H 38 4.258 4.336 -0.078 1
1 391 . 4 1 1 A 38 38 GLU CB C 38 30.505 30.413 0.092 1
1 395 . 4 1 1 A 38 38 GLU C C 38 176.260 176.246 0.014 1
1 398 . 4 1 1 A 39 39 ARG N N 39 123.108 117.209 5.899 1
1 399 . 4 1 1 A 39 39 ARG H H 39 8.347 8.946 -0.599 1
1 400 . 4 1 1 A 39 39 ARG CA C 39 53.836 56.559 -2.723 1
1 401 . 4 1 1 A 39 39 ARG HA H 39 4.641 3.838 0.803 1
1 402 . 4 1 1 A 39 39 ARG CB C 39 30.295 28.178 2.117 1
1 408 . 4 1 1 A 39 39 ARG C C 39 174.196 174.697 -0.501 1
1 412 . 4 1 1 A 40 40 PRO CA C 40 63.247 62.447 0.800 1
1 413 . 4 1 1 A 40 40 PRO HA H 40 4.475 4.566 -0.091 1
1 414 . 4 1 1 A 40 40 PRO CB C 40 32.174 33.160 -0.986 1
1 423 . 4 1 1 A 41 41 SER N N 41 116.362 115.470 0.892 1
1 424 . 4 1 1 A 41 41 SER H H 41 8.471 8.398 0.073 1
1 425 . 4 1 1 A 41 41 SER CA C 41 58.579 56.790 1.789 1
1 426 . 4 1 1 A 41 41 SER HA H 41 4.503 4.983 -0.480 1
1 427 . 4 1 1 A 41 41 SER CB C 41 63.945 65.808 -1.863 1
1 430 . 4 1 1 A 42 42 GLY CA C 42 44.665 43.969 0.696 1
1 431 . 4 1 1 A 42 42 GLY HA3 H 42 4.158 4.093 0.065 1
1 432 . 4 1 1 A 42 42 GLY HA2 H 42 4.116 4.093 0.023 1
1 433 . 4 1 1 A 43 43 PRO CA C 43 63.255 62.574 0.681 1
1 434 . 4 1 1 A 43 43 PRO HA H 43 4.474 4.640 -0.166 1
1 435 . 4 1 1 A 43 43 PRO CB C 43 32.218 33.318 -1.100 1
1 444 . 4 1 1 A 45 45 SER CA C 45 58.342 61.883 -3.541 1
1 445 . 4 1 1 A 45 45 SER HA H 45 4.495 4.133 0.362 1
1 446 . 4 1 1 A 45 45 SER CB C 45 63.915 63.385 0.530 1
1 447 . 4 1 1 A 45 45 SER C C 45 173.905 175.200 -1.295 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.450 46.292 -0.842 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.030 3.957 0.073 1
1 3 . 5 1 1 A 7 7 GLY HA2 H 7 4.030 3.954 0.076 1
1 4 . 5 1 1 A 8 8 THR N N 8 112.777 108.658 4.119 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.142 7.937 0.205 1
1 6 . 5 1 1 A 8 8 THR CA C 8 61.874 63.097 -1.223 1
1 7 . 5 1 1 A 8 8 THR HA H 8 4.374 4.039 0.335 1
1 8 . 5 1 1 A 8 8 THR CB C 8 69.838 67.195 2.643 1
1 14 . 5 1 1 A 8 8 THR C C 8 174.631 173.856 0.775 1
1 15 . 5 1 1 A 9 9 GLY N N 9 110.604 107.951 2.653 1
1 16 . 5 1 1 A 9 9 GLY H H 9 8.219 8.177 0.042 1
1 17 . 5 1 1 A 9 9 GLY CA C 9 45.339 43.843 1.496 1
1 18 . 5 1 1 A 9 9 GLY HA3 H 9 3.974 4.035 -0.061 1
1 19 . 5 1 1 A 9 9 GLY C C 9 173.976 172.422 1.554 1
1 20 . 5 1 1 A 9 9 GLY HA2 H 9 3.929 4.033 -0.104 1
1 21 . 5 1 1 A 10 10 GLU N N 10 120.077 119.280 0.797 1
1 22 . 5 1 1 A 10 10 GLU H H 10 8.193 8.332 -0.139 1
1 23 . 5 1 1 A 10 10 GLU CA C 10 56.334 54.482 1.852 1
1 24 . 5 1 1 A 10 10 GLU HA H 10 4.257 4.986 -0.729 1
1 25 . 5 1 1 A 10 10 GLU CB C 10 30.542 32.679 -2.137 1
1 29 . 5 1 1 A 10 10 GLU C C 10 175.869 176.035 -0.166 1
1 32 . 5 1 1 A 11 11 ASN N N 11 120.072 119.882 0.190 1
1 33 . 5 1 1 A 11 11 ASN H H 11 8.365 8.577 -0.212 1
1 34 . 5 1 1 A 11 11 ASN CA C 11 51.358 51.832 -0.474 1
1 35 . 5 1 1 A 11 11 ASN HA H 11 4.872 4.908 -0.036 1
1 36 . 5 1 1 A 11 11 ASN CB C 11 39.215 37.931 1.284 1
1 41 . 5 1 1 A 11 11 ASN C C 11 173.417 175.693 -2.276 1
1 43 . 5 1 1 A 12 12 PRO CA C 12 63.071 64.525 -1.454 1
1 44 . 5 1 1 A 12 12 PRO HA H 12 4.304 4.043 0.261 1
1 45 . 5 1 1 A 12 12 PRO CB C 12 32.343 31.863 0.480 1
1 51 . 5 1 1 A 12 12 PRO C C 12 175.981 176.060 -0.079 1
1 55 . 5 1 1 A 13 13 PHE N N 13 119.314 116.243 3.071 1
1 56 . 5 1 1 A 13 13 PHE H H 13 8.292 7.441 0.851 1
1 57 . 5 1 1 A 13 13 PHE CA C 13 57.055 56.258 0.797 1
1 58 . 5 1 1 A 13 13 PHE HA H 13 4.705 5.186 -0.481 1
1 59 . 5 1 1 A 13 13 PHE CB C 13 39.402 43.550 -4.148 1
1 71 . 5 1 1 A 13 13 PHE C C 13 174.054 174.079 -0.025 1
1 73 . 5 1 1 A 14 14 ILE N N 14 122.850 120.332 2.518 1
1 74 . 5 1 1 A 14 14 ILE H H 14 8.311 8.683 -0.372 1
1 75 . 5 1 1 A 14 14 ILE CA C 14 59.824 59.995 -0.171 1
1 76 . 5 1 1 A 14 14 ILE HA H 14 4.848 5.240 -0.392 1
1 77 . 5 1 1 A 14 14 ILE CB C 14 41.237 42.257 -1.020 1
1 89 . 5 1 1 A 14 14 ILE C C 14 175.774 175.103 0.671 1
1 91 . 5 1 1 A 15 15 CYS N N 15 129.055 125.845 3.210 1
1 92 . 5 1 1 A 15 15 CYS H H 15 9.276 8.758 0.518 1
1 93 . 5 1 1 A 15 15 CYS CA C 15 59.920 57.860 2.060 1
1 94 . 5 1 1 A 15 15 CYS HA H 15 4.586 4.644 -0.058 1
1 95 . 5 1 1 A 15 15 CYS CB C 15 29.432 27.314 2.118 1
1 97 . 5 1 1 A 15 15 CYS C C 15 177.331 175.115 2.216 1
1 99 . 5 1 1 A 16 16 SER N N 16 114.664 121.736 -7.072 1
1 100 . 5 1 1 A 16 16 SER H H 16 9.283 8.159 1.124 1
1 101 . 5 1 1 A 16 16 SER CA C 16 61.085 61.789 -0.704 1
1 102 . 5 1 1 A 16 16 SER HA H 16 4.215 4.067 0.148 1
1 103 . 5 1 1 A 16 16 SER CB C 16 63.030 63.020 0.010 1
1 105 . 5 1 1 A 16 16 SER C C 16 174.495 176.707 -2.212 1
1 107 . 5 1 1 A 17 17 GLU N N 17 122.474 121.290 1.184 1
1 108 . 5 1 1 A 17 17 GLU H H 17 8.603 8.006 0.597 1
1 109 . 5 1 1 A 17 17 GLU CA C 17 58.006 58.941 -0.935 1
1 110 . 5 1 1 A 17 17 GLU HA H 17 4.251 3.945 0.306 1
1 111 . 5 1 1 A 17 17 GLU CB C 17 29.542 29.010 0.532 1
1 115 . 5 1 1 A 17 17 GLU C C 17 177.153 178.363 -1.210 1
1 118 . 5 1 1 A 18 18 CYS N N 18 114.558 114.635 -0.077 1
1 119 . 5 1 1 A 18 18 CYS H H 18 7.882 7.767 0.115 1
1 120 . 5 1 1 A 18 18 CYS CA C 18 58.430 59.916 -1.486 1
1 121 . 5 1 1 A 18 18 CYS HA H 18 5.183 4.470 0.713 1
1 122 . 5 1 1 A 18 18 CYS CB C 18 32.630 29.207 3.423 1
1 124 . 5 1 1 A 18 18 CYS C C 18 176.361 175.233 1.128 1
1 126 . 5 1 1 A 19 19 GLY N N 19 113.615 110.087 3.528 1
1 127 . 5 1 1 A 19 19 GLY H H 19 8.332 8.033 0.299 1
1 128 . 5 1 1 A 19 19 GLY CA C 19 46.106 45.315 0.791 1
1 129 . 5 1 1 A 19 19 GLY HA3 H 19 3.733 4.086 -0.353 1
1 130 . 5 1 1 A 19 19 GLY C C 19 173.422 174.404 -0.982 1
1 131 . 5 1 1 A 19 19 GLY HA2 H 19 4.186 4.069 0.117 1
1 132 . 5 1 1 A 20 20 LYS N N 20 122.607 120.892 1.715 1
1 133 . 5 1 1 A 20 20 LYS H H 20 7.917 7.808 0.109 1
1 134 . 5 1 1 A 20 20 LYS CA C 20 58.336 54.786 3.550 1
1 135 . 5 1 1 A 20 20 LYS HA H 20 3.994 4.628 -0.634 1
1 136 . 5 1 1 A 20 20 LYS CB C 20 33.765 34.553 -0.788 1
1 144 . 5 1 1 A 20 20 LYS C C 20 174.018 175.014 -0.996 1
1 149 . 5 1 1 A 21 21 VAL N N 21 119.988 125.002 -5.014 1
1 150 . 5 1 1 A 21 21 VAL H H 21 7.622 8.455 -0.833 1
1 151 . 5 1 1 A 21 21 VAL CA C 21 61.260 61.200 0.060 1
1 152 . 5 1 1 A 21 21 VAL HA H 21 4.565 5.101 -0.536 1
1 153 . 5 1 1 A 21 21 VAL CB C 21 33.625 33.207 0.418 1
1 163 . 5 1 1 A 21 21 VAL C C 21 175.348 174.756 0.592 1
1 164 . 5 1 1 A 22 22 PHE N N 22 122.931 125.563 -2.632 1
1 165 . 5 1 1 A 22 22 PHE H H 22 8.909 9.064 -0.155 1
1 166 . 5 1 1 A 22 22 PHE CA C 22 57.177 56.510 0.667 1
1 167 . 5 1 1 A 22 22 PHE HA H 22 4.774 4.941 -0.167 1
1 168 . 5 1 1 A 22 22 PHE CB C 22 42.896 42.172 0.724 1
1 180 . 5 1 1 A 22 22 PHE C C 22 175.213 176.020 -0.807 1
1 182 . 5 1 1 A 23 23 THR N N 23 113.904 117.163 -3.259 1
1 183 . 5 1 1 A 23 23 THR H H 23 8.911 8.881 0.030 1
1 184 . 5 1 1 A 23 23 THR CA C 23 63.768 66.022 -2.254 1
1 185 . 5 1 1 A 23 23 THR HA H 23 4.347 4.353 -0.006 1
1 186 . 5 1 1 A 23 23 THR CB C 23 69.464 69.060 0.404 1
1 192 . 5 1 1 A 23 23 THR C C 23 174.304 175.063 -0.759 1
1 193 . 5 1 1 A 24 24 HIS N N 24 118.243 120.070 -1.827 1
1 194 . 5 1 1 A 24 24 HIS H H 24 7.673 8.006 -0.333 1
1 195 . 5 1 1 A 24 24 HIS CA C 24 55.567 55.387 0.180 1
1 196 . 5 1 1 A 24 24 HIS HA H 24 4.801 4.918 -0.117 1
1 197 . 5 1 1 A 24 24 HIS CB C 24 33.368 30.917 2.451 1
1 203 . 5 1 1 A 24 24 HIS C C 24 175.494 175.473 0.021 1
1 205 . 5 1 1 A 25 25 LYS N N 25 127.606 125.195 2.411 1
1 206 . 5 1 1 A 25 25 LYS H H 25 8.431 8.554 -0.123 1
1 207 . 5 1 1 A 25 25 LYS CA C 25 59.580 59.821 -0.241 1
1 208 . 5 1 1 A 25 25 LYS HA H 25 2.970 3.054 -0.084 1
1 209 . 5 1 1 A 25 25 LYS CB C 25 31.932 31.630 0.302 1
1 216 . 5 1 1 A 25 25 LYS C C 25 178.019 178.029 -0.010 1
1 221 . 5 1 1 A 26 26 THR N N 26 111.783 117.668 -5.885 1
1 222 . 5 1 1 A 26 26 THR H H 26 8.670 7.781 0.889 1
1 223 . 5 1 1 A 26 26 THR CA C 26 65.774 66.788 -1.014 1
1 224 . 5 1 1 A 26 26 THR HA H 26 3.753 3.929 -0.176 1
1 225 . 5 1 1 A 26 26 THR CB C 26 68.322 68.278 0.044 1
1 231 . 5 1 1 A 26 26 THR C C 26 176.052 177.171 -1.119 1
1 232 . 5 1 1 A 27 27 ASN N N 27 116.833 119.759 -2.926 1
1 233 . 5 1 1 A 27 27 ASN H H 27 6.988 8.262 -1.274 1
1 234 . 5 1 1 A 27 27 ASN CA C 27 55.638 56.506 -0.868 1
1 235 . 5 1 1 A 27 27 ASN HA H 27 4.441 4.565 -0.124 1
1 236 . 5 1 1 A 27 27 ASN CB C 27 38.215 38.308 -0.093 1
1 241 . 5 1 1 A 27 27 ASN C C 27 177.347 177.899 -0.552 1
1 243 . 5 1 1 A 28 28 LEU N N 28 122.994 118.863 4.131 1
1 244 . 5 1 1 A 28 28 LEU H H 28 6.999 7.251 -0.252 1
1 245 . 5 1 1 A 28 28 LEU CA C 28 57.966 57.045 0.921 1
1 246 . 5 1 1 A 28 28 LEU HA H 28 2.973 2.591 0.382 1
1 247 . 5 1 1 A 28 28 LEU CB C 28 40.441 41.345 -0.904 1
1 259 . 5 1 1 A 28 28 LEU C C 28 177.008 178.089 -1.081 1
1 261 . 5 1 1 A 29 29 ILE N N 29 119.568 119.701 -0.133 1
1 262 . 5 1 1 A 29 29 ILE H H 29 7.936 7.651 0.285 1
1 263 . 5 1 1 A 29 29 ILE CA C 29 64.632 65.167 -0.535 1
1 264 . 5 1 1 A 29 29 ILE HA H 29 3.709 3.745 -0.036 1
1 265 . 5 1 1 A 29 29 ILE CB C 29 37.474 37.719 -0.245 1
1 277 . 5 1 1 A 29 29 ILE C C 29 179.171 178.147 1.024 1
1 279 . 5 1 1 A 30 30 ILE N N 30 119.207 120.776 -1.569 1
1 280 . 5 1 1 A 30 30 ILE H H 30 7.589 8.160 -0.571 1
1 281 . 5 1 1 A 30 30 ILE CA C 30 64.891 64.597 0.294 1
1 282 . 5 1 1 A 30 30 ILE HA H 30 3.617 3.597 0.020 1
1 283 . 5 1 1 A 30 30 ILE CB C 30 38.513 37.291 1.222 1
1 295 . 5 1 1 A 30 30 ILE C C 30 178.757 178.213 0.544 1
1 297 . 5 1 1 A 31 31 HIS N N 31 119.828 120.701 -0.873 1
1 298 . 5 1 1 A 31 31 HIS H H 31 7.534 7.515 0.019 1
1 299 . 5 1 1 A 31 31 HIS CA C 31 59.278 59.680 -0.402 1
1 300 . 5 1 1 A 31 31 HIS HA H 31 4.193 4.190 0.003 1
1 301 . 5 1 1 A 31 31 HIS CB C 31 28.635 29.970 -1.335 1
1 307 . 5 1 1 A 31 31 HIS C C 31 176.316 177.534 -1.218 1
1 309 . 5 1 1 A 32 32 GLN N N 32 115.270 118.159 -2.889 1
1 310 . 5 1 1 A 32 32 GLN H H 32 8.431 8.492 -0.061 1
1 311 . 5 1 1 A 32 32 GLN CA C 32 59.504 59.126 0.378 1
1 312 . 5 1 1 A 32 32 GLN HA H 32 3.661 4.042 -0.381 1
1 313 . 5 1 1 A 32 32 GLN CB C 32 28.316 28.387 -0.071 1
1 320 . 5 1 1 A 32 32 GLN C C 32 177.585 178.580 -0.995 1
1 323 . 5 1 1 A 33 33 LYS N N 33 117.874 119.377 -1.503 1
1 324 . 5 1 1 A 33 33 LYS H H 33 7.208 7.951 -0.743 1
1 325 . 5 1 1 A 33 33 LYS CA C 33 58.591 58.560 0.031 1
1 326 . 5 1 1 A 33 33 LYS HA H 33 4.110 4.285 -0.175 1
1 327 . 5 1 1 A 33 33 LYS CB C 33 32.257 31.958 0.299 1
1 335 . 5 1 1 A 33 33 LYS C C 33 178.936 179.028 -0.092 1
1 340 . 5 1 1 A 34 34 ILE N N 34 116.468 115.656 0.812 1
1 341 . 5 1 1 A 34 34 ILE H H 34 7.885 7.801 0.084 1
1 342 . 5 1 1 A 34 34 ILE CA C 34 63.144 62.706 0.438 1
1 343 . 5 1 1 A 34 34 ILE HA H 34 3.968 3.866 0.102 1
1 344 . 5 1 1 A 34 34 ILE CB C 34 37.733 36.979 0.754 1
1 356 . 5 1 1 A 34 34 ILE C C 34 177.569 176.242 1.327 1
1 358 . 5 1 1 A 35 35 HIS N N 35 117.615 118.982 -1.367 1
1 359 . 5 1 1 A 35 35 HIS H H 35 7.189 8.070 -0.881 1
1 360 . 5 1 1 A 35 35 HIS CA C 35 55.293 56.623 -1.330 1
1 361 . 5 1 1 A 35 35 HIS HA H 35 4.851 4.704 0.147 1
1 362 . 5 1 1 A 35 35 HIS CB C 35 28.494 31.689 -3.195 1
1 368 . 5 1 1 A 35 35 HIS C C 35 175.810 175.291 0.519 1
1 370 . 5 1 1 A 36 36 THR N N 36 111.886 109.684 2.202 1
1 371 . 5 1 1 A 36 36 THR H H 36 7.768 7.284 0.484 1
1 372 . 5 1 1 A 36 36 THR CA C 36 62.648 61.168 1.480 1
1 373 . 5 1 1 A 36 36 THR HA H 36 4.341 4.315 0.026 1
1 374 . 5 1 1 A 36 36 THR CB C 36 69.832 68.031 1.801 1
1 380 . 5 1 1 A 36 36 THR C C 36 175.433 174.530 0.903 1
1 381 . 5 1 1 A 37 37 GLY N N 37 110.507 111.795 -1.288 1
1 382 . 5 1 1 A 37 37 GLY H H 37 8.214 8.518 -0.304 1
1 383 . 5 1 1 A 37 37 GLY CA C 37 45.365 44.058 1.307 1
1 384 . 5 1 1 A 37 37 GLY HA3 H 37 4.013 4.246 -0.233 1
1 385 . 5 1 1 A 37 37 GLY C C 37 174.057 172.847 1.210 1
1 386 . 5 1 1 A 37 37 GLY HA2 H 37 3.972 4.238 -0.266 1
1 387 . 5 1 1 A 38 38 GLU N N 38 120.478 117.873 2.605 1
1 388 . 5 1 1 A 38 38 GLU H H 38 8.114 8.862 -0.748 1
1 389 . 5 1 1 A 38 38 GLU CA C 38 56.517 55.659 0.858 1
1 390 . 5 1 1 A 38 38 GLU HA H 38 4.258 5.014 -0.756 1
1 391 . 5 1 1 A 38 38 GLU CB C 38 30.505 30.357 0.148 1
1 395 . 5 1 1 A 38 38 GLU C C 38 176.260 175.002 1.258 1
1 398 . 5 1 1 A 39 39 ARG N N 39 123.108 124.540 -1.432 1
1 399 . 5 1 1 A 39 39 ARG H H 39 8.347 8.252 0.095 1
1 400 . 5 1 1 A 39 39 ARG CA C 39 53.836 53.095 0.741 1
1 401 . 5 1 1 A 39 39 ARG HA H 39 4.641 4.614 0.027 1
1 402 . 5 1 1 A 39 39 ARG CB C 39 30.295 33.755 -3.460 1
1 408 . 5 1 1 A 39 39 ARG C C 39 174.196 175.251 -1.055 1
1 412 . 5 1 1 A 40 40 PRO CA C 40 63.247 63.738 -0.491 1
1 413 . 5 1 1 A 40 40 PRO HA H 40 4.475 4.466 0.009 1
1 414 . 5 1 1 A 40 40 PRO CB C 40 32.174 32.081 0.093 1
1 423 . 5 1 1 A 41 41 SER N N 41 116.362 114.346 2.016 1
1 424 . 5 1 1 A 41 41 SER H H 41 8.471 8.034 0.437 1
1 425 . 5 1 1 A 41 41 SER CA C 41 58.579 59.320 -0.741 1
1 426 . 5 1 1 A 41 41 SER HA H 41 4.503 4.084 0.419 1
1 427 . 5 1 1 A 41 41 SER CB C 41 63.945 61.749 2.196 1
1 430 . 5 1 1 A 42 42 GLY CA C 42 44.665 44.197 0.468 1
1 431 . 5 1 1 A 42 42 GLY HA3 H 42 4.158 4.121 0.037 1
1 432 . 5 1 1 A 42 42 GLY HA2 H 42 4.116 4.120 -0.004 1
1 433 . 5 1 1 A 43 43 PRO CA C 43 63.255 62.391 0.864 1
1 434 . 5 1 1 A 43 43 PRO HA H 43 4.474 4.545 -0.071 1
1 435 . 5 1 1 A 43 43 PRO CB C 43 32.218 32.398 -0.180 1
1 444 . 5 1 1 A 45 45 SER CA C 45 58.342 56.083 2.259 1
1 445 . 5 1 1 A 45 45 SER HA H 45 4.495 5.365 -0.870 1
1 446 . 5 1 1 A 45 45 SER CB C 45 63.915 66.453 -2.538 1
1 447 . 5 1 1 A 45 45 SER C C 45 173.905 173.217 0.688 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.450 45.138 0.312 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.030 4.279 -0.249 1
1 3 . 6 1 1 A 7 7 GLY HA2 H 7 4.030 4.277 -0.247 1
1 4 . 6 1 1 A 8 8 THR N N 8 112.777 112.151 0.626 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.142 8.606 -0.464 1
1 6 . 6 1 1 A 8 8 THR CA C 8 61.874 61.016 0.858 1
1 7 . 6 1 1 A 8 8 THR HA H 8 4.374 4.589 -0.215 1
1 8 . 6 1 1 A 8 8 THR CB C 8 69.838 68.704 1.134 1
1 14 . 6 1 1 A 8 8 THR C C 8 174.631 174.387 0.244 1
1 15 . 6 1 1 A 9 9 GLY N N 9 110.604 111.544 -0.940 1
1 16 . 6 1 1 A 9 9 GLY H H 9 8.219 8.658 -0.439 1
1 17 . 6 1 1 A 9 9 GLY CA C 9 45.339 46.025 -0.686 1
1 18 . 6 1 1 A 9 9 GLY HA3 H 9 3.974 3.961 0.013 1
1 19 . 6 1 1 A 9 9 GLY C C 9 173.976 173.327 0.649 1
1 20 . 6 1 1 A 9 9 GLY HA2 H 9 3.929 3.960 -0.031 1
1 21 . 6 1 1 A 10 10 GLU N N 10 120.077 124.836 -4.759 1
1 22 . 6 1 1 A 10 10 GLU H H 10 8.193 8.570 -0.377 1
1 23 . 6 1 1 A 10 10 GLU CA C 10 56.334 55.302 1.032 1
1 24 . 6 1 1 A 10 10 GLU HA H 10 4.257 4.785 -0.528 1
1 25 . 6 1 1 A 10 10 GLU CB C 10 30.542 30.915 -0.373 1
1 29 . 6 1 1 A 10 10 GLU C C 10 175.869 175.132 0.737 1
1 32 . 6 1 1 A 11 11 ASN N N 11 120.072 124.181 -4.109 1
1 33 . 6 1 1 A 11 11 ASN H H 11 8.365 8.479 -0.114 1
1 34 . 6 1 1 A 11 11 ASN CA C 11 51.358 49.913 1.445 1
1 35 . 6 1 1 A 11 11 ASN HA H 11 4.872 5.165 -0.293 1
1 36 . 6 1 1 A 11 11 ASN CB C 11 39.215 40.251 -1.036 1
1 41 . 6 1 1 A 11 11 ASN C C 11 173.417 175.159 -1.742 1
1 43 . 6 1 1 A 12 12 PRO CA C 12 63.071 64.564 -1.493 1
1 44 . 6 1 1 A 12 12 PRO HA H 12 4.304 4.114 0.190 1
1 45 . 6 1 1 A 12 12 PRO CB C 12 32.343 31.893 0.450 1
1 51 . 6 1 1 A 12 12 PRO C C 12 175.981 175.892 0.089 1
1 55 . 6 1 1 A 13 13 PHE N N 13 119.314 115.578 3.736 1
1 56 . 6 1 1 A 13 13 PHE H H 13 8.292 7.552 0.740 1
1 57 . 6 1 1 A 13 13 PHE CA C 13 57.055 56.432 0.623 1
1 58 . 6 1 1 A 13 13 PHE HA H 13 4.705 5.189 -0.484 1
1 59 . 6 1 1 A 13 13 PHE CB C 13 39.402 43.151 -3.749 1
1 71 . 6 1 1 A 13 13 PHE C C 13 174.054 174.315 -0.261 1
1 73 . 6 1 1 A 14 14 ILE N N 14 122.850 123.162 -0.312 1
1 74 . 6 1 1 A 14 14 ILE H H 14 8.311 9.062 -0.751 1
1 75 . 6 1 1 A 14 14 ILE CA C 14 59.824 59.654 0.170 1
1 76 . 6 1 1 A 14 14 ILE HA H 14 4.848 5.170 -0.322 1
1 77 . 6 1 1 A 14 14 ILE CB C 14 41.237 41.142 0.095 1
1 89 . 6 1 1 A 14 14 ILE C C 14 175.774 175.041 0.733 1
1 91 . 6 1 1 A 15 15 CYS N N 15 129.055 125.240 3.815 1
1 92 . 6 1 1 A 15 15 CYS H H 15 9.276 8.435 0.841 1
1 93 . 6 1 1 A 15 15 CYS CA C 15 59.920 57.607 2.313 1
1 94 . 6 1 1 A 15 15 CYS HA H 15 4.586 4.747 -0.161 1
1 95 . 6 1 1 A 15 15 CYS CB C 15 29.432 27.267 2.165 1
1 97 . 6 1 1 A 15 15 CYS C C 15 177.331 174.982 2.349 1
1 99 . 6 1 1 A 16 16 SER N N 16 114.664 123.170 -8.506 1
1 100 . 6 1 1 A 16 16 SER H H 16 9.283 8.122 1.161 1
1 101 . 6 1 1 A 16 16 SER CA C 16 61.085 61.262 -0.177 1
1 102 . 6 1 1 A 16 16 SER HA H 16 4.215 4.094 0.121 1
1 103 . 6 1 1 A 16 16 SER CB C 16 63.030 62.676 0.354 1
1 105 . 6 1 1 A 16 16 SER C C 16 174.495 176.642 -2.147 1
1 107 . 6 1 1 A 17 17 GLU N N 17 122.474 121.143 1.331 1
1 108 . 6 1 1 A 17 17 GLU H H 17 8.603 8.496 0.107 1
1 109 . 6 1 1 A 17 17 GLU CA C 17 58.006 58.962 -0.956 1
1 110 . 6 1 1 A 17 17 GLU HA H 17 4.251 3.971 0.280 1
1 111 . 6 1 1 A 17 17 GLU CB C 17 29.542 29.338 0.204 1
1 115 . 6 1 1 A 17 17 GLU C C 17 177.153 178.042 -0.889 1
1 118 . 6 1 1 A 18 18 CYS N N 18 114.558 115.170 -0.612 1
1 119 . 6 1 1 A 18 18 CYS H H 18 7.882 7.960 -0.078 1
1 120 . 6 1 1 A 18 18 CYS CA C 18 58.430 59.873 -1.443 1
1 121 . 6 1 1 A 18 18 CYS HA H 18 5.183 4.678 0.505 1
1 122 . 6 1 1 A 18 18 CYS CB C 18 32.630 29.884 2.746 1
1 124 . 6 1 1 A 18 18 CYS C C 18 176.361 175.378 0.983 1
1 126 . 6 1 1 A 19 19 GLY N N 19 113.615 110.006 3.609 1
1 127 . 6 1 1 A 19 19 GLY H H 19 8.332 8.162 0.170 1
1 128 . 6 1 1 A 19 19 GLY CA C 19 46.106 45.203 0.903 1
1 129 . 6 1 1 A 19 19 GLY HA3 H 19 3.733 4.097 -0.364 1
1 130 . 6 1 1 A 19 19 GLY C C 19 173.422 174.175 -0.753 1
1 131 . 6 1 1 A 19 19 GLY HA2 H 19 4.186 4.081 0.105 1
1 132 . 6 1 1 A 20 20 LYS N N 20 122.607 121.509 1.098 1
1 133 . 6 1 1 A 20 20 LYS H H 20 7.917 7.894 0.023 1
1 134 . 6 1 1 A 20 20 LYS CA C 20 58.336 54.817 3.519 1
1 135 . 6 1 1 A 20 20 LYS HA H 20 3.994 4.547 -0.553 1
1 136 . 6 1 1 A 20 20 LYS CB C 20 33.765 33.856 -0.091 1
1 144 . 6 1 1 A 20 20 LYS C C 20 174.018 175.199 -1.181 1
1 149 . 6 1 1 A 21 21 VAL N N 21 119.988 126.479 -6.491 1
1 150 . 6 1 1 A 21 21 VAL H H 21 7.622 8.388 -0.766 1
1 151 . 6 1 1 A 21 21 VAL CA C 21 61.260 61.399 -0.139 1
1 152 . 6 1 1 A 21 21 VAL HA H 21 4.565 4.881 -0.316 1
1 153 . 6 1 1 A 21 21 VAL CB C 21 33.625 32.384 1.241 1
1 163 . 6 1 1 A 21 21 VAL C C 21 175.348 174.478 0.870 1
1 164 . 6 1 1 A 22 22 PHE N N 22 122.931 126.078 -3.147 1
1 165 . 6 1 1 A 22 22 PHE H H 22 8.909 9.020 -0.111 1
1 166 . 6 1 1 A 22 22 PHE CA C 22 57.177 56.620 0.557 1
1 167 . 6 1 1 A 22 22 PHE HA H 22 4.774 4.841 -0.067 1
1 168 . 6 1 1 A 22 22 PHE CB C 22 42.896 43.071 -0.175 1
1 180 . 6 1 1 A 22 22 PHE C C 22 175.213 175.883 -0.670 1
1 182 . 6 1 1 A 23 23 THR N N 23 113.904 116.419 -2.515 1
1 183 . 6 1 1 A 23 23 THR H H 23 8.911 8.868 0.043 1
1 184 . 6 1 1 A 23 23 THR CA C 23 63.768 64.306 -0.538 1
1 185 . 6 1 1 A 23 23 THR HA H 23 4.347 4.503 -0.156 1
1 186 . 6 1 1 A 23 23 THR CB C 23 69.464 69.370 0.094 1
1 192 . 6 1 1 A 23 23 THR C C 23 174.304 174.683 -0.379 1
1 193 . 6 1 1 A 24 24 HIS N N 24 118.243 120.437 -2.194 1
1 194 . 6 1 1 A 24 24 HIS H H 24 7.673 7.966 -0.293 1
1 195 . 6 1 1 A 24 24 HIS CA C 24 55.567 54.512 1.055 1
1 196 . 6 1 1 A 24 24 HIS HA H 24 4.801 4.971 -0.170 1
1 197 . 6 1 1 A 24 24 HIS CB C 24 33.368 30.802 2.566 1
1 203 . 6 1 1 A 24 24 HIS C C 24 175.494 175.484 0.010 1
1 205 . 6 1 1 A 25 25 LYS N N 25 127.606 125.341 2.265 1
1 206 . 6 1 1 A 25 25 LYS H H 25 8.431 8.546 -0.115 1
1 207 . 6 1 1 A 25 25 LYS CA C 25 59.580 59.462 0.118 1
1 208 . 6 1 1 A 25 25 LYS HA H 25 2.970 3.259 -0.289 1
1 209 . 6 1 1 A 25 25 LYS CB C 25 31.932 31.611 0.321 1
1 216 . 6 1 1 A 25 25 LYS C C 25 178.019 178.117 -0.098 1
1 221 . 6 1 1 A 26 26 THR N N 26 111.783 117.464 -5.681 1
1 222 . 6 1 1 A 26 26 THR H H 26 8.670 7.598 1.072 1
1 223 . 6 1 1 A 26 26 THR CA C 26 65.774 67.349 -1.575 1
1 224 . 6 1 1 A 26 26 THR HA H 26 3.753 3.902 -0.149 1
1 225 . 6 1 1 A 26 26 THR CB C 26 68.322 68.455 -0.133 1
1 231 . 6 1 1 A 26 26 THR C C 26 176.052 176.621 -0.569 1
1 232 . 6 1 1 A 27 27 ASN N N 27 116.833 119.649 -2.816 1
1 233 . 6 1 1 A 27 27 ASN H H 27 6.988 8.353 -1.365 1
1 234 . 6 1 1 A 27 27 ASN CA C 27 55.638 56.662 -1.024 1
1 235 . 6 1 1 A 27 27 ASN HA H 27 4.441 4.498 -0.057 1
1 236 . 6 1 1 A 27 27 ASN CB C 27 38.215 38.094 0.121 1
1 241 . 6 1 1 A 27 27 ASN C C 27 177.347 177.699 -0.352 1
1 243 . 6 1 1 A 28 28 LEU N N 28 122.994 120.435 2.559 1
1 244 . 6 1 1 A 28 28 LEU H H 28 6.999 7.398 -0.399 1
1 245 . 6 1 1 A 28 28 LEU CA C 28 57.966 57.667 0.299 1
1 246 . 6 1 1 A 28 28 LEU HA H 28 2.973 2.439 0.534 1
1 247 . 6 1 1 A 28 28 LEU CB C 28 40.441 41.245 -0.804 1
1 259 . 6 1 1 A 28 28 LEU C C 28 177.008 178.457 -1.449 1
1 261 . 6 1 1 A 29 29 ILE N N 29 119.568 119.919 -0.351 1
1 262 . 6 1 1 A 29 29 ILE H H 29 7.936 7.672 0.264 1
1 263 . 6 1 1 A 29 29 ILE CA C 29 64.632 65.328 -0.696 1
1 264 . 6 1 1 A 29 29 ILE HA H 29 3.709 3.609 0.100 1
1 265 . 6 1 1 A 29 29 ILE CB C 29 37.474 37.860 -0.386 1
1 277 . 6 1 1 A 29 29 ILE C C 29 179.171 178.273 0.898 1
1 279 . 6 1 1 A 30 30 ILE N N 30 119.207 120.387 -1.180 1
1 280 . 6 1 1 A 30 30 ILE H H 30 7.589 8.025 -0.436 1
1 281 . 6 1 1 A 30 30 ILE CA C 30 64.891 64.798 0.093 1
1 282 . 6 1 1 A 30 30 ILE HA H 30 3.617 3.573 0.044 1
1 283 . 6 1 1 A 30 30 ILE CB C 30 38.513 37.449 1.064 1
1 295 . 6 1 1 A 30 30 ILE C C 30 178.757 178.658 0.099 1
1 297 . 6 1 1 A 31 31 HIS N N 31 119.828 120.126 -0.298 1
1 298 . 6 1 1 A 31 31 HIS H H 31 7.534 7.694 -0.160 1
1 299 . 6 1 1 A 31 31 HIS CA C 31 59.278 59.554 -0.276 1
1 300 . 6 1 1 A 31 31 HIS HA H 31 4.193 4.137 0.056 1
1 301 . 6 1 1 A 31 31 HIS CB C 31 28.635 29.784 -1.149 1
1 307 . 6 1 1 A 31 31 HIS C C 31 176.316 176.849 -0.533 1
1 309 . 6 1 1 A 32 32 GLN N N 32 115.270 117.404 -2.134 1
1 310 . 6 1 1 A 32 32 GLN H H 32 8.431 8.456 -0.025 1
1 311 . 6 1 1 A 32 32 GLN CA C 32 59.504 59.004 0.500 1
1 312 . 6 1 1 A 32 32 GLN HA H 32 3.661 3.816 -0.155 1
1 313 . 6 1 1 A 32 32 GLN CB C 32 28.316 28.359 -0.043 1
1 320 . 6 1 1 A 32 32 GLN C C 32 177.585 178.434 -0.849 1
1 323 . 6 1 1 A 33 33 LYS N N 33 117.874 119.722 -1.848 1
1 324 . 6 1 1 A 33 33 LYS H H 33 7.208 7.697 -0.489 1
1 325 . 6 1 1 A 33 33 LYS CA C 33 58.591 58.941 -0.350 1
1 326 . 6 1 1 A 33 33 LYS HA H 33 4.110 3.941 0.169 1
1 327 . 6 1 1 A 33 33 LYS CB C 33 32.257 32.400 -0.143 1
1 335 . 6 1 1 A 33 33 LYS C C 33 178.936 179.108 -0.172 1
1 340 . 6 1 1 A 34 34 ILE N N 34 116.468 117.704 -1.236 1
1 341 . 6 1 1 A 34 34 ILE H H 34 7.885 8.004 -0.119 1
1 342 . 6 1 1 A 34 34 ILE CA C 34 63.144 63.931 -0.787 1
1 343 . 6 1 1 A 34 34 ILE HA H 34 3.968 3.754 0.214 1
1 344 . 6 1 1 A 34 34 ILE CB C 34 37.733 37.253 0.480 1
1 356 . 6 1 1 A 34 34 ILE C C 34 177.569 177.454 0.115 1
1 358 . 6 1 1 A 35 35 HIS N N 35 117.615 119.405 -1.790 1
1 359 . 6 1 1 A 35 35 HIS H H 35 7.189 7.900 -0.711 1
1 360 . 6 1 1 A 35 35 HIS CA C 35 55.293 59.816 -4.523 1
1 361 . 6 1 1 A 35 35 HIS HA H 35 4.851 4.269 0.582 1
1 362 . 6 1 1 A 35 35 HIS CB C 35 28.494 30.524 -2.030 1
1 368 . 6 1 1 A 35 35 HIS C C 35 175.810 175.814 -0.004 1
1 370 . 6 1 1 A 36 36 THR N N 36 111.886 114.333 -2.447 1
1 371 . 6 1 1 A 36 36 THR H H 36 7.768 7.924 -0.156 1
1 372 . 6 1 1 A 36 36 THR CA C 36 62.648 63.261 -0.613 1
1 373 . 6 1 1 A 36 36 THR HA H 36 4.341 4.007 0.334 1
1 374 . 6 1 1 A 36 36 THR CB C 36 69.832 68.922 0.910 1
1 380 . 6 1 1 A 36 36 THR C C 36 175.433 174.465 0.968 1
1 381 . 6 1 1 A 37 37 GLY N N 37 110.507 113.361 -2.854 1
1 382 . 6 1 1 A 37 37 GLY H H 37 8.214 8.478 -0.264 1
1 383 . 6 1 1 A 37 37 GLY CA C 37 45.365 45.958 -0.593 1
1 384 . 6 1 1 A 37 37 GLY HA3 H 37 4.013 4.219 -0.206 1
1 385 . 6 1 1 A 37 37 GLY C C 37 174.057 172.400 1.657 1
1 386 . 6 1 1 A 37 37 GLY HA2 H 37 3.972 4.213 -0.241 1
1 387 . 6 1 1 A 38 38 GLU N N 38 120.478 122.320 -1.842 1
1 388 . 6 1 1 A 38 38 GLU H H 38 8.114 8.624 -0.510 1
1 389 . 6 1 1 A 38 38 GLU CA C 38 56.517 55.349 1.168 1
1 390 . 6 1 1 A 38 38 GLU HA H 38 4.258 5.166 -0.908 1
1 391 . 6 1 1 A 38 38 GLU CB C 38 30.505 32.372 -1.867 1
1 395 . 6 1 1 A 38 38 GLU C C 38 176.260 175.325 0.935 1
1 398 . 6 1 1 A 39 39 ARG N N 39 123.108 119.083 4.025 1
1 399 . 6 1 1 A 39 39 ARG H H 39 8.347 8.799 -0.452 1
1 400 . 6 1 1 A 39 39 ARG CA C 39 53.836 54.545 -0.709 1
1 401 . 6 1 1 A 39 39 ARG HA H 39 4.641 4.881 -0.240 1
1 402 . 6 1 1 A 39 39 ARG CB C 39 30.295 33.457 -3.162 1
1 408 . 6 1 1 A 39 39 ARG C C 39 174.196 175.885 -1.689 1
1 412 . 6 1 1 A 40 40 PRO CA C 40 63.247 64.124 -0.877 1
1 413 . 6 1 1 A 40 40 PRO HA H 40 4.475 4.362 0.113 1
1 414 . 6 1 1 A 40 40 PRO CB C 40 32.174 32.046 0.128 1
1 423 . 6 1 1 A 41 41 SER N N 41 116.362 112.556 3.806 1
1 424 . 6 1 1 A 41 41 SER H H 41 8.471 8.178 0.293 1
1 425 . 6 1 1 A 41 41 SER CA C 41 58.579 58.938 -0.359 1
1 426 . 6 1 1 A 41 41 SER HA H 41 4.503 4.184 0.319 1
1 427 . 6 1 1 A 41 41 SER CB C 41 63.945 60.873 3.072 1
1 430 . 6 1 1 A 42 42 GLY CA C 42 44.665 44.975 -0.310 1
1 431 . 6 1 1 A 42 42 GLY HA3 H 42 4.158 4.059 0.099 1
1 432 . 6 1 1 A 42 42 GLY HA2 H 42 4.116 4.059 0.057 1
1 433 . 6 1 1 A 43 43 PRO CA C 43 63.255 64.766 -1.511 1
1 434 . 6 1 1 A 43 43 PRO HA H 43 4.474 4.410 0.064 1
1 435 . 6 1 1 A 43 43 PRO CB C 43 32.218 32.048 0.170 1
1 444 . 6 1 1 A 45 45 SER CA C 45 58.342 57.442 0.900 1
1 445 . 6 1 1 A 45 45 SER HA H 45 4.495 5.111 -0.616 1
1 446 . 6 1 1 A 45 45 SER CB C 45 63.915 65.300 -1.385 1
1 447 . 6 1 1 A 45 45 SER C C 45 173.905 173.253 0.652 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.450 44.383 1.067 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.030 4.056 -0.026 1
1 3 . 7 1 1 A 7 7 GLY HA2 H 7 4.030 4.054 -0.024 1
1 4 . 7 1 1 A 8 8 THR N N 8 112.777 113.620 -0.843 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.142 8.108 0.034 1
1 6 . 7 1 1 A 8 8 THR CA C 8 61.874 64.665 -2.791 1
1 7 . 7 1 1 A 8 8 THR HA H 8 4.374 3.948 0.426 1
1 8 . 7 1 1 A 8 8 THR CB C 8 69.838 69.842 -0.004 1
1 14 . 7 1 1 A 8 8 THR C C 8 174.631 174.532 0.099 1
1 15 . 7 1 1 A 9 9 GLY N N 9 110.604 108.770 1.834 1
1 16 . 7 1 1 A 9 9 GLY H H 9 8.219 7.893 0.326 1
1 17 . 7 1 1 A 9 9 GLY CA C 9 45.339 45.191 0.148 1
1 18 . 7 1 1 A 9 9 GLY HA3 H 9 3.974 3.951 0.023 1
1 19 . 7 1 1 A 9 9 GLY C C 9 173.976 173.627 0.349 1
1 20 . 7 1 1 A 9 9 GLY HA2 H 9 3.929 3.951 -0.022 1
1 21 . 7 1 1 A 10 10 GLU N N 10 120.077 122.364 -2.287 1
1 22 . 7 1 1 A 10 10 GLU H H 10 8.193 8.486 -0.293 1
1 23 . 7 1 1 A 10 10 GLU CA C 10 56.334 55.570 0.764 1
1 24 . 7 1 1 A 10 10 GLU HA H 10 4.257 4.491 -0.234 1
1 25 . 7 1 1 A 10 10 GLU CB C 10 30.542 28.487 2.055 1
1 29 . 7 1 1 A 10 10 GLU C C 10 175.869 174.977 0.892 1
1 32 . 7 1 1 A 11 11 ASN N N 11 120.072 122.641 -2.569 1
1 33 . 7 1 1 A 11 11 ASN H H 11 8.365 7.718 0.647 1
1 34 . 7 1 1 A 11 11 ASN CA C 11 51.358 49.512 1.846 1
1 35 . 7 1 1 A 11 11 ASN HA H 11 4.872 5.200 -0.328 1
1 36 . 7 1 1 A 11 11 ASN CB C 11 39.215 41.929 -2.714 1
1 41 . 7 1 1 A 11 11 ASN C C 11 173.417 174.736 -1.319 1
1 43 . 7 1 1 A 12 12 PRO CA C 12 63.071 64.423 -1.352 1
1 44 . 7 1 1 A 12 12 PRO HA H 12 4.304 4.023 0.281 1
1 45 . 7 1 1 A 12 12 PRO CB C 12 32.343 31.830 0.513 1
1 51 . 7 1 1 A 12 12 PRO C C 12 175.981 175.716 0.265 1
1 55 . 7 1 1 A 13 13 PHE N N 13 119.314 115.352 3.962 1
1 56 . 7 1 1 A 13 13 PHE H H 13 8.292 7.522 0.770 1
1 57 . 7 1 1 A 13 13 PHE CA C 13 57.055 56.500 0.555 1
1 58 . 7 1 1 A 13 13 PHE HA H 13 4.705 5.108 -0.403 1
1 59 . 7 1 1 A 13 13 PHE CB C 13 39.402 43.727 -4.325 1
1 71 . 7 1 1 A 13 13 PHE C C 13 174.054 174.257 -0.203 1
1 73 . 7 1 1 A 14 14 ILE N N 14 122.850 122.278 0.572 1
1 74 . 7 1 1 A 14 14 ILE H H 14 8.311 8.929 -0.618 1
1 75 . 7 1 1 A 14 14 ILE CA C 14 59.824 59.362 0.462 1
1 76 . 7 1 1 A 14 14 ILE HA H 14 4.848 5.182 -0.334 1
1 77 . 7 1 1 A 14 14 ILE CB C 14 41.237 41.628 -0.391 1
1 89 . 7 1 1 A 14 14 ILE C C 14 175.774 175.563 0.211 1
1 91 . 7 1 1 A 15 15 CYS N N 15 129.055 128.654 0.401 1
1 92 . 7 1 1 A 15 15 CYS H H 15 9.276 9.075 0.201 1
1 93 . 7 1 1 A 15 15 CYS CA C 15 59.920 59.711 0.209 1
1 94 . 7 1 1 A 15 15 CYS HA H 15 4.586 4.638 -0.052 1
1 95 . 7 1 1 A 15 15 CYS CB C 15 29.432 28.425 1.007 1
1 97 . 7 1 1 A 15 15 CYS C C 15 177.331 175.960 1.371 1
1 99 . 7 1 1 A 16 16 SER N N 16 114.664 122.354 -7.690 1
1 100 . 7 1 1 A 16 16 SER H H 16 9.283 9.070 0.213 1
1 101 . 7 1 1 A 16 16 SER CA C 16 61.085 58.084 3.001 1
1 102 . 7 1 1 A 16 16 SER HA H 16 4.215 4.611 -0.396 1
1 103 . 7 1 1 A 16 16 SER CB C 16 63.030 62.761 0.269 1
1 105 . 7 1 1 A 16 16 SER C C 16 174.495 175.177 -0.682 1
1 107 . 7 1 1 A 17 17 GLU N N 17 122.474 121.707 0.767 1
1 108 . 7 1 1 A 17 17 GLU H H 17 8.603 8.025 0.578 1
1 109 . 7 1 1 A 17 17 GLU CA C 17 58.006 57.206 0.800 1
1 110 . 7 1 1 A 17 17 GLU HA H 17 4.251 4.383 -0.132 1
1 111 . 7 1 1 A 17 17 GLU CB C 17 29.542 31.375 -1.833 1
1 115 . 7 1 1 A 17 17 GLU C C 17 177.153 177.656 -0.503 1
1 118 . 7 1 1 A 18 18 CYS N N 18 114.558 114.829 -0.271 1
1 119 . 7 1 1 A 18 18 CYS H H 18 7.882 8.058 -0.176 1
1 120 . 7 1 1 A 18 18 CYS CA C 18 58.430 59.745 -1.315 1
1 121 . 7 1 1 A 18 18 CYS HA H 18 5.183 4.592 0.591 1
1 122 . 7 1 1 A 18 18 CYS CB C 18 32.630 29.584 3.046 1
1 124 . 7 1 1 A 18 18 CYS C C 18 176.361 175.313 1.048 1
1 126 . 7 1 1 A 19 19 GLY N N 19 113.615 109.980 3.635 1
1 127 . 7 1 1 A 19 19 GLY H H 19 8.332 8.112 0.220 1
1 128 . 7 1 1 A 19 19 GLY CA C 19 46.106 45.248 0.858 1
1 129 . 7 1 1 A 19 19 GLY HA3 H 19 3.733 4.072 -0.339 1
1 130 . 7 1 1 A 19 19 GLY C C 19 173.422 174.404 -0.982 1
1 131 . 7 1 1 A 19 19 GLY HA2 H 19 4.186 4.061 0.125 1
1 132 . 7 1 1 A 20 20 LYS N N 20 122.607 121.361 1.246 1
1 133 . 7 1 1 A 20 20 LYS H H 20 7.917 7.827 0.090 1
1 134 . 7 1 1 A 20 20 LYS CA C 20 58.336 54.990 3.346 1
1 135 . 7 1 1 A 20 20 LYS HA H 20 3.994 4.641 -0.647 1
1 136 . 7 1 1 A 20 20 LYS CB C 20 33.765 34.197 -0.432 1
1 144 . 7 1 1 A 20 20 LYS C C 20 174.018 175.148 -1.130 1
1 149 . 7 1 1 A 21 21 VAL N N 21 119.988 124.867 -4.879 1
1 150 . 7 1 1 A 21 21 VAL H H 21 7.622 8.216 -0.594 1
1 151 . 7 1 1 A 21 21 VAL CA C 21 61.260 61.047 0.213 1
1 152 . 7 1 1 A 21 21 VAL HA H 21 4.565 5.123 -0.558 1
1 153 . 7 1 1 A 21 21 VAL CB C 21 33.625 33.748 -0.123 1
1 163 . 7 1 1 A 21 21 VAL C C 21 175.348 174.772 0.576 1
1 164 . 7 1 1 A 22 22 PHE N N 22 122.931 125.238 -2.307 1
1 165 . 7 1 1 A 22 22 PHE H H 22 8.909 8.833 0.076 1
1 166 . 7 1 1 A 22 22 PHE CA C 22 57.177 56.463 0.714 1
1 167 . 7 1 1 A 22 22 PHE HA H 22 4.774 4.960 -0.186 1
1 168 . 7 1 1 A 22 22 PHE CB C 22 42.896 41.850 1.046 1
1 180 . 7 1 1 A 22 22 PHE C C 22 175.213 176.147 -0.934 1
1 182 . 7 1 1 A 23 23 THR N N 23 113.904 117.611 -3.707 1
1 183 . 7 1 1 A 23 23 THR H H 23 8.911 8.860 0.051 1
1 184 . 7 1 1 A 23 23 THR CA C 23 63.768 66.767 -2.999 1
1 185 . 7 1 1 A 23 23 THR HA H 23 4.347 4.201 0.146 1
1 186 . 7 1 1 A 23 23 THR CB C 23 69.464 68.671 0.793 1
1 192 . 7 1 1 A 23 23 THR C C 23 174.304 174.964 -0.660 1
1 193 . 7 1 1 A 24 24 HIS N N 24 118.243 119.917 -1.674 1
1 194 . 7 1 1 A 24 24 HIS H H 24 7.673 7.993 -0.320 1
1 195 . 7 1 1 A 24 24 HIS CA C 24 55.567 55.183 0.384 1
1 196 . 7 1 1 A 24 24 HIS HA H 24 4.801 4.905 -0.104 1
1 197 . 7 1 1 A 24 24 HIS CB C 24 33.368 31.548 1.820 1
1 203 . 7 1 1 A 24 24 HIS C C 24 175.494 174.933 0.561 1
1 205 . 7 1 1 A 25 25 LYS N N 25 127.606 124.604 3.002 1
1 206 . 7 1 1 A 25 25 LYS H H 25 8.431 8.243 0.188 1
1 207 . 7 1 1 A 25 25 LYS CA C 25 59.580 59.414 0.166 1
1 208 . 7 1 1 A 25 25 LYS HA H 25 2.970 2.709 0.261 1
1 209 . 7 1 1 A 25 25 LYS CB C 25 31.932 31.436 0.496 1
1 216 . 7 1 1 A 25 25 LYS C C 25 178.019 178.029 -0.010 1
1 221 . 7 1 1 A 26 26 THR N N 26 111.783 115.701 -3.918 1
1 222 . 7 1 1 A 26 26 THR H H 26 8.670 8.055 0.615 1
1 223 . 7 1 1 A 26 26 THR CA C 26 65.774 66.881 -1.107 1
1 224 . 7 1 1 A 26 26 THR HA H 26 3.753 3.873 -0.120 1
1 225 . 7 1 1 A 26 26 THR CB C 26 68.322 68.468 -0.146 1
1 231 . 7 1 1 A 26 26 THR C C 26 176.052 176.274 -0.222 1
1 232 . 7 1 1 A 27 27 ASN N N 27 116.833 118.710 -1.877 1
1 233 . 7 1 1 A 27 27 ASN H H 27 6.988 8.345 -1.357 1
1 234 . 7 1 1 A 27 27 ASN CA C 27 55.638 56.538 -0.900 1
1 235 . 7 1 1 A 27 27 ASN HA H 27 4.441 4.383 0.058 1
1 236 . 7 1 1 A 27 27 ASN CB C 27 38.215 37.965 0.250 1
1 241 . 7 1 1 A 27 27 ASN C C 27 177.347 177.806 -0.459 1
1 243 . 7 1 1 A 28 28 LEU N N 28 122.994 120.614 2.380 1
1 244 . 7 1 1 A 28 28 LEU H H 28 6.999 7.303 -0.304 1
1 245 . 7 1 1 A 28 28 LEU CA C 28 57.966 57.956 0.010 1
1 246 . 7 1 1 A 28 28 LEU HA H 28 2.973 2.886 0.087 1
1 247 . 7 1 1 A 28 28 LEU CB C 28 40.441 41.613 -1.172 1
1 259 . 7 1 1 A 28 28 LEU C C 28 177.008 178.690 -1.682 1
1 261 . 7 1 1 A 29 29 ILE N N 29 119.568 119.806 -0.238 1
1 262 . 7 1 1 A 29 29 ILE H H 29 7.936 7.886 0.050 1
1 263 . 7 1 1 A 29 29 ILE CA C 29 64.632 65.353 -0.721 1
1 264 . 7 1 1 A 29 29 ILE HA H 29 3.709 3.915 -0.206 1
1 265 . 7 1 1 A 29 29 ILE CB C 29 37.474 37.952 -0.478 1
1 277 . 7 1 1 A 29 29 ILE C C 29 179.171 178.398 0.773 1
1 279 . 7 1 1 A 30 30 ILE N N 30 119.207 120.829 -1.622 1
1 280 . 7 1 1 A 30 30 ILE H H 30 7.589 7.927 -0.338 1
1 281 . 7 1 1 A 30 30 ILE CA C 30 64.891 64.640 0.251 1
1 282 . 7 1 1 A 30 30 ILE HA H 30 3.617 3.504 0.113 1
1 283 . 7 1 1 A 30 30 ILE CB C 30 38.513 37.391 1.122 1
1 295 . 7 1 1 A 30 30 ILE C C 30 178.757 178.281 0.476 1
1 297 . 7 1 1 A 31 31 HIS N N 31 119.828 119.931 -0.103 1
1 298 . 7 1 1 A 31 31 HIS H H 31 7.534 7.895 -0.361 1
1 299 . 7 1 1 A 31 31 HIS CA C 31 59.278 60.155 -0.877 1
1 300 . 7 1 1 A 31 31 HIS HA H 31 4.193 4.056 0.137 1
1 301 . 7 1 1 A 31 31 HIS CB C 31 28.635 29.634 -0.999 1
1 307 . 7 1 1 A 31 31 HIS C C 31 176.316 177.097 -0.781 1
1 309 . 7 1 1 A 32 32 GLN N N 32 115.270 117.413 -2.143 1
1 310 . 7 1 1 A 32 32 GLN H H 32 8.431 8.481 -0.050 1
1 311 . 7 1 1 A 32 32 GLN CA C 32 59.504 59.119 0.385 1
1 312 . 7 1 1 A 32 32 GLN HA H 32 3.661 4.053 -0.392 1
1 313 . 7 1 1 A 32 32 GLN CB C 32 28.316 28.516 -0.200 1
1 320 . 7 1 1 A 32 32 GLN C C 32 177.585 178.583 -0.998 1
1 323 . 7 1 1 A 33 33 LYS N N 33 117.874 119.483 -1.609 1
1 324 . 7 1 1 A 33 33 LYS H H 33 7.208 8.047 -0.839 1
1 325 . 7 1 1 A 33 33 LYS CA C 33 58.591 58.975 -0.384 1
1 326 . 7 1 1 A 33 33 LYS HA H 33 4.110 4.022 0.088 1
1 327 . 7 1 1 A 33 33 LYS CB C 33 32.257 32.135 0.122 1
1 335 . 7 1 1 A 33 33 LYS C C 33 178.936 179.196 -0.260 1
1 340 . 7 1 1 A 34 34 ILE N N 34 116.468 116.179 0.289 1
1 341 . 7 1 1 A 34 34 ILE H H 34 7.885 7.763 0.122 1
1 342 . 7 1 1 A 34 34 ILE CA C 34 63.144 62.796 0.348 1
1 343 . 7 1 1 A 34 34 ILE HA H 34 3.968 3.817 0.151 1
1 344 . 7 1 1 A 34 34 ILE CB C 34 37.733 37.193 0.540 1
1 356 . 7 1 1 A 34 34 ILE C C 34 177.569 176.453 1.116 1
1 358 . 7 1 1 A 35 35 HIS N N 35 117.615 119.043 -1.428 1
1 359 . 7 1 1 A 35 35 HIS H H 35 7.189 8.121 -0.932 1
1 360 . 7 1 1 A 35 35 HIS CA C 35 55.293 56.928 -1.635 1
1 361 . 7 1 1 A 35 35 HIS HA H 35 4.851 4.630 0.221 1
1 362 . 7 1 1 A 35 35 HIS CB C 35 28.494 31.636 -3.142 1
1 368 . 7 1 1 A 35 35 HIS C C 35 175.810 175.211 0.599 1
1 370 . 7 1 1 A 36 36 THR N N 36 111.886 111.760 0.126 1
1 371 . 7 1 1 A 36 36 THR H H 36 7.768 7.437 0.331 1
1 372 . 7 1 1 A 36 36 THR CA C 36 62.648 62.215 0.433 1
1 373 . 7 1 1 A 36 36 THR HA H 36 4.341 4.246 0.095 1
1 374 . 7 1 1 A 36 36 THR CB C 36 69.832 69.045 0.787 1
1 380 . 7 1 1 A 36 36 THR C C 36 175.433 174.732 0.701 1
1 381 . 7 1 1 A 37 37 GLY N N 37 110.507 110.832 -0.325 1
1 382 . 7 1 1 A 37 37 GLY H H 37 8.214 8.694 -0.480 1
1 383 . 7 1 1 A 37 37 GLY CA C 37 45.365 45.198 0.167 1
1 384 . 7 1 1 A 37 37 GLY HA3 H 37 4.013 4.064 -0.051 1
1 385 . 7 1 1 A 37 37 GLY C C 37 174.057 174.811 -0.754 1
1 386 . 7 1 1 A 37 37 GLY HA2 H 37 3.972 4.061 -0.089 1
1 387 . 7 1 1 A 38 38 GLU N N 38 120.478 117.640 2.838 1
1 388 . 7 1 1 A 38 38 GLU H H 38 8.114 8.440 -0.326 1
1 389 . 7 1 1 A 38 38 GLU CA C 38 56.517 55.511 1.006 1
1 390 . 7 1 1 A 38 38 GLU HA H 38 4.258 4.655 -0.397 1
1 391 . 7 1 1 A 38 38 GLU CB C 38 30.505 29.531 0.974 1
1 395 . 7 1 1 A 38 38 GLU C C 38 176.260 176.116 0.144 1
1 398 . 7 1 1 A 39 39 ARG N N 39 123.108 117.508 5.600 1
1 399 . 7 1 1 A 39 39 ARG H H 39 8.347 7.536 0.811 1
1 400 . 7 1 1 A 39 39 ARG CA C 39 53.836 53.430 0.406 1
1 401 . 7 1 1 A 39 39 ARG HA H 39 4.641 4.944 -0.303 1
1 402 . 7 1 1 A 39 39 ARG CB C 39 30.295 31.924 -1.629 1
1 408 . 7 1 1 A 39 39 ARG C C 39 174.196 175.546 -1.350 1
1 412 . 7 1 1 A 40 40 PRO CA C 40 63.247 65.339 -2.092 1
1 413 . 7 1 1 A 40 40 PRO HA H 40 4.475 4.356 0.119 1
1 414 . 7 1 1 A 40 40 PRO CB C 40 32.174 31.958 0.216 1
1 423 . 7 1 1 A 41 41 SER N N 41 116.362 112.292 4.070 1
1 424 . 7 1 1 A 41 41 SER H H 41 8.471 8.204 0.267 1
1 425 . 7 1 1 A 41 41 SER CA C 41 58.579 57.922 0.657 1
1 426 . 7 1 1 A 41 41 SER HA H 41 4.503 4.662 -0.159 1
1 427 . 7 1 1 A 41 41 SER CB C 41 63.945 62.834 1.111 1
1 430 . 7 1 1 A 42 42 GLY CA C 42 44.665 43.982 0.683 1
1 431 . 7 1 1 A 42 42 GLY HA3 H 42 4.158 4.136 0.022 1
1 432 . 7 1 1 A 42 42 GLY HA2 H 42 4.116 4.135 -0.019 1
1 433 . 7 1 1 A 43 43 PRO CA C 43 63.255 62.340 0.915 1
1 434 . 7 1 1 A 43 43 PRO HA H 43 4.474 4.706 -0.232 1
1 435 . 7 1 1 A 43 43 PRO CB C 43 32.218 29.569 2.649 1
1 444 . 7 1 1 A 45 45 SER CA C 45 58.342 59.042 -0.700 1
1 445 . 7 1 1 A 45 45 SER HA H 45 4.495 4.452 0.043 1
1 446 . 7 1 1 A 45 45 SER CB C 45 63.915 63.291 0.624 1
1 447 . 7 1 1 A 45 45 SER C C 45 173.905 175.157 -1.252 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.450 46.777 -1.327 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.030 3.949 0.081 1
1 3 . 8 1 1 A 7 7 GLY HA2 H 7 4.030 3.949 0.081 1
1 4 . 8 1 1 A 8 8 THR N N 8 112.777 114.900 -2.123 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.142 8.306 -0.164 1
1 6 . 8 1 1 A 8 8 THR CA C 8 61.874 60.222 1.652 1
1 7 . 8 1 1 A 8 8 THR HA H 8 4.374 4.992 -0.618 1
1 8 . 8 1 1 A 8 8 THR CB C 8 69.838 70.622 -0.784 1
1 14 . 8 1 1 A 8 8 THR C C 8 174.631 174.436 0.195 1
1 15 . 8 1 1 A 9 9 GLY N N 9 110.604 113.511 -2.907 1
1 16 . 8 1 1 A 9 9 GLY H H 9 8.219 8.653 -0.434 1
1 17 . 8 1 1 A 9 9 GLY CA C 9 45.339 46.903 -1.564 1
1 18 . 8 1 1 A 9 9 GLY HA3 H 9 3.974 3.877 0.097 1
1 19 . 8 1 1 A 9 9 GLY C C 9 173.976 174.948 -0.972 1
1 20 . 8 1 1 A 9 9 GLY HA2 H 9 3.929 3.877 0.052 1
1 21 . 8 1 1 A 10 10 GLU N N 10 120.077 119.520 0.557 1
1 22 . 8 1 1 A 10 10 GLU H H 10 8.193 8.240 -0.047 1
1 23 . 8 1 1 A 10 10 GLU CA C 10 56.334 57.053 -0.719 1
1 24 . 8 1 1 A 10 10 GLU HA H 10 4.257 4.291 -0.034 1
1 25 . 8 1 1 A 10 10 GLU CB C 10 30.542 30.151 0.391 1
1 29 . 8 1 1 A 10 10 GLU C C 10 175.869 176.586 -0.717 1
1 32 . 8 1 1 A 11 11 ASN N N 11 120.072 124.649 -4.577 1
1 33 . 8 1 1 A 11 11 ASN H H 11 8.365 8.746 -0.381 1
1 34 . 8 1 1 A 11 11 ASN CA C 11 51.358 51.252 0.106 1
1 35 . 8 1 1 A 11 11 ASN HA H 11 4.872 5.012 -0.140 1
1 36 . 8 1 1 A 11 11 ASN CB C 11 39.215 38.110 1.105 1
1 41 . 8 1 1 A 11 11 ASN C C 11 173.417 175.370 -1.953 1
1 43 . 8 1 1 A 12 12 PRO CA C 12 63.071 64.661 -1.590 1
1 44 . 8 1 1 A 12 12 PRO HA H 12 4.304 4.216 0.088 1
1 45 . 8 1 1 A 12 12 PRO CB C 12 32.343 32.056 0.287 1
1 51 . 8 1 1 A 12 12 PRO C C 12 175.981 176.199 -0.218 1
1 55 . 8 1 1 A 13 13 PHE N N 13 119.314 116.205 3.109 1
1 56 . 8 1 1 A 13 13 PHE H H 13 8.292 7.500 0.792 1
1 57 . 8 1 1 A 13 13 PHE CA C 13 57.055 56.293 0.762 1
1 58 . 8 1 1 A 13 13 PHE HA H 13 4.705 5.179 -0.474 1
1 59 . 8 1 1 A 13 13 PHE CB C 13 39.402 43.486 -4.084 1
1 71 . 8 1 1 A 13 13 PHE C C 13 174.054 174.300 -0.246 1
1 73 . 8 1 1 A 14 14 ILE N N 14 122.850 120.266 2.584 1
1 74 . 8 1 1 A 14 14 ILE H H 14 8.311 8.570 -0.259 1
1 75 . 8 1 1 A 14 14 ILE CA C 14 59.824 60.123 -0.299 1
1 76 . 8 1 1 A 14 14 ILE HA H 14 4.848 5.075 -0.227 1
1 77 . 8 1 1 A 14 14 ILE CB C 14 41.237 42.134 -0.897 1
1 89 . 8 1 1 A 14 14 ILE C C 14 175.774 175.119 0.655 1
1 91 . 8 1 1 A 15 15 CYS N N 15 129.055 128.361 0.694 1
1 92 . 8 1 1 A 15 15 CYS H H 15 9.276 9.165 0.111 1
1 93 . 8 1 1 A 15 15 CYS CA C 15 59.920 60.226 -0.306 1
1 94 . 8 1 1 A 15 15 CYS HA H 15 4.586 4.547 0.039 1
1 95 . 8 1 1 A 15 15 CYS CB C 15 29.432 28.794 0.638 1
1 97 . 8 1 1 A 15 15 CYS C C 15 177.331 176.119 1.212 1
1 99 . 8 1 1 A 16 16 SER N N 16 114.664 122.899 -8.235 1
1 100 . 8 1 1 A 16 16 SER H H 16 9.283 8.971 0.312 1
1 101 . 8 1 1 A 16 16 SER CA C 16 61.085 58.429 2.656 1
1 102 . 8 1 1 A 16 16 SER HA H 16 4.215 4.669 -0.454 1
1 103 . 8 1 1 A 16 16 SER CB C 16 63.030 63.036 -0.006 1
1 105 . 8 1 1 A 16 16 SER C C 16 174.495 174.534 -0.039 1
1 107 . 8 1 1 A 17 17 GLU N N 17 122.474 119.233 3.241 1
1 108 . 8 1 1 A 17 17 GLU H H 17 8.603 7.951 0.652 1
1 109 . 8 1 1 A 17 17 GLU CA C 17 58.006 57.060 0.946 1
1 110 . 8 1 1 A 17 17 GLU HA H 17 4.251 4.390 -0.139 1
1 111 . 8 1 1 A 17 17 GLU CB C 17 29.542 31.102 -1.560 1
1 115 . 8 1 1 A 17 17 GLU C C 17 177.153 177.664 -0.511 1
1 118 . 8 1 1 A 18 18 CYS N N 18 114.558 114.740 -0.182 1
1 119 . 8 1 1 A 18 18 CYS H H 18 7.882 8.055 -0.173 1
1 120 . 8 1 1 A 18 18 CYS CA C 18 58.430 59.794 -1.364 1
1 121 . 8 1 1 A 18 18 CYS HA H 18 5.183 4.591 0.592 1
1 122 . 8 1 1 A 18 18 CYS CB C 18 32.630 29.527 3.103 1
1 124 . 8 1 1 A 18 18 CYS C C 18 176.361 175.303 1.058 1
1 126 . 8 1 1 A 19 19 GLY N N 19 113.615 109.921 3.694 1
1 127 . 8 1 1 A 19 19 GLY H H 19 8.332 8.029 0.303 1
1 128 . 8 1 1 A 19 19 GLY CA C 19 46.106 45.229 0.877 1
1 129 . 8 1 1 A 19 19 GLY HA3 H 19 3.733 4.082 -0.349 1
1 130 . 8 1 1 A 19 19 GLY C C 19 173.422 174.411 -0.989 1
1 131 . 8 1 1 A 19 19 GLY HA2 H 19 4.186 4.072 0.114 1
1 132 . 8 1 1 A 20 20 LYS N N 20 122.607 121.017 1.590 1
1 133 . 8 1 1 A 20 20 LYS H H 20 7.917 7.786 0.131 1
1 134 . 8 1 1 A 20 20 LYS CA C 20 58.336 54.769 3.567 1
1 135 . 8 1 1 A 20 20 LYS HA H 20 3.994 4.596 -0.602 1
1 136 . 8 1 1 A 20 20 LYS CB C 20 33.765 34.196 -0.431 1
1 144 . 8 1 1 A 20 20 LYS C C 20 174.018 175.321 -1.303 1
1 149 . 8 1 1 A 21 21 VAL N N 21 119.988 125.782 -5.794 1
1 150 . 8 1 1 A 21 21 VAL H H 21 7.622 8.498 -0.876 1
1 151 . 8 1 1 A 21 21 VAL CA C 21 61.260 61.328 -0.068 1
1 152 . 8 1 1 A 21 21 VAL HA H 21 4.565 5.062 -0.497 1
1 153 . 8 1 1 A 21 21 VAL CB C 21 33.625 32.767 0.858 1
1 163 . 8 1 1 A 21 21 VAL C C 21 175.348 174.885 0.463 1
1 164 . 8 1 1 A 22 22 PHE N N 22 122.931 125.671 -2.740 1
1 165 . 8 1 1 A 22 22 PHE H H 22 8.909 9.023 -0.114 1
1 166 . 8 1 1 A 22 22 PHE CA C 22 57.177 56.504 0.673 1
1 167 . 8 1 1 A 22 22 PHE HA H 22 4.774 4.921 -0.147 1
1 168 . 8 1 1 A 22 22 PHE CB C 22 42.896 43.042 -0.146 1
1 180 . 8 1 1 A 22 22 PHE C C 22 175.213 175.934 -0.721 1
1 182 . 8 1 1 A 23 23 THR N N 23 113.904 115.850 -1.946 1
1 183 . 8 1 1 A 23 23 THR H H 23 8.911 8.634 0.277 1
1 184 . 8 1 1 A 23 23 THR CA C 23 63.768 64.547 -0.779 1
1 185 . 8 1 1 A 23 23 THR HA H 23 4.347 4.371 -0.024 1
1 186 . 8 1 1 A 23 23 THR CB C 23 69.464 69.390 0.074 1
1 192 . 8 1 1 A 23 23 THR C C 23 174.304 174.726 -0.422 1
1 193 . 8 1 1 A 24 24 HIS N N 24 118.243 117.803 0.440 1
1 194 . 8 1 1 A 24 24 HIS H H 24 7.673 7.398 0.275 1
1 195 . 8 1 1 A 24 24 HIS CA C 24 55.567 53.641 1.926 1
1 196 . 8 1 1 A 24 24 HIS HA H 24 4.801 4.804 -0.003 1
1 197 . 8 1 1 A 24 24 HIS CB C 24 33.368 32.284 1.084 1
1 203 . 8 1 1 A 24 24 HIS C C 24 175.494 175.038 0.456 1
1 205 . 8 1 1 A 25 25 LYS N N 25 127.606 120.266 7.340 1
1 206 . 8 1 1 A 25 25 LYS H H 25 8.431 8.302 0.129 1
1 207 . 8 1 1 A 25 25 LYS CA C 25 59.580 58.469 1.111 1
1 208 . 8 1 1 A 25 25 LYS HA H 25 2.970 3.271 -0.301 1
1 209 . 8 1 1 A 25 25 LYS CB C 25 31.932 31.584 0.348 1
1 216 . 8 1 1 A 25 25 LYS C C 25 178.019 177.760 0.259 1
1 221 . 8 1 1 A 26 26 THR N N 26 111.783 115.966 -4.183 1
1 222 . 8 1 1 A 26 26 THR H H 26 8.670 7.960 0.710 1
1 223 . 8 1 1 A 26 26 THR CA C 26 65.774 66.378 -0.604 1
1 224 . 8 1 1 A 26 26 THR HA H 26 3.753 3.806 -0.053 1
1 225 . 8 1 1 A 26 26 THR CB C 26 68.322 68.244 0.078 1
1 231 . 8 1 1 A 26 26 THR C C 26 176.052 176.341 -0.289 1
1 232 . 8 1 1 A 27 27 ASN N N 27 116.833 119.743 -2.910 1
1 233 . 8 1 1 A 27 27 ASN H H 27 6.988 8.080 -1.092 1
1 234 . 8 1 1 A 27 27 ASN CA C 27 55.638 56.614 -0.976 1
1 235 . 8 1 1 A 27 27 ASN HA H 27 4.441 4.304 0.137 1
1 236 . 8 1 1 A 27 27 ASN CB C 27 38.215 38.925 -0.710 1
1 241 . 8 1 1 A 27 27 ASN C C 27 177.347 177.061 0.286 1
1 243 . 8 1 1 A 28 28 LEU N N 28 122.994 119.624 3.370 1
1 244 . 8 1 1 A 28 28 LEU H H 28 6.999 7.466 -0.467 1
1 245 . 8 1 1 A 28 28 LEU CA C 28 57.966 57.856 0.110 1
1 246 . 8 1 1 A 28 28 LEU HA H 28 2.973 2.484 0.489 1
1 247 . 8 1 1 A 28 28 LEU CB C 28 40.441 41.331 -0.890 1
1 259 . 8 1 1 A 28 28 LEU C C 28 177.008 178.531 -1.523 1
1 261 . 8 1 1 A 29 29 ILE N N 29 119.568 119.489 0.079 1
1 262 . 8 1 1 A 29 29 ILE H H 29 7.936 8.336 -0.400 1
1 263 . 8 1 1 A 29 29 ILE CA C 29 64.632 65.296 -0.664 1
1 264 . 8 1 1 A 29 29 ILE HA H 29 3.709 3.591 0.118 1
1 265 . 8 1 1 A 29 29 ILE CB C 29 37.474 37.916 -0.442 1
1 277 . 8 1 1 A 29 29 ILE C C 29 179.171 178.466 0.705 1
1 279 . 8 1 1 A 30 30 ILE N N 30 119.207 120.794 -1.587 1
1 280 . 8 1 1 A 30 30 ILE H H 30 7.589 7.722 -0.133 1
1 281 . 8 1 1 A 30 30 ILE CA C 30 64.891 64.683 0.208 1
1 282 . 8 1 1 A 30 30 ILE HA H 30 3.617 3.490 0.127 1
1 283 . 8 1 1 A 30 30 ILE CB C 30 38.513 37.426 1.087 1
1 295 . 8 1 1 A 30 30 ILE C C 30 178.757 178.431 0.326 1
1 297 . 8 1 1 A 31 31 HIS N N 31 119.828 120.093 -0.265 1
1 298 . 8 1 1 A 31 31 HIS H H 31 7.534 7.865 -0.331 1
1 299 . 8 1 1 A 31 31 HIS CA C 31 59.278 60.028 -0.750 1
1 300 . 8 1 1 A 31 31 HIS HA H 31 4.193 4.161 0.032 1
1 301 . 8 1 1 A 31 31 HIS CB C 31 28.635 29.914 -1.279 1
1 307 . 8 1 1 A 31 31 HIS C C 31 176.316 177.405 -1.089 1
1 309 . 8 1 1 A 32 32 GLN N N 32 115.270 117.828 -2.558 1
1 310 . 8 1 1 A 32 32 GLN H H 32 8.431 8.634 -0.203 1
1 311 . 8 1 1 A 32 32 GLN CA C 32 59.504 59.146 0.358 1
1 312 . 8 1 1 A 32 32 GLN HA H 32 3.661 4.115 -0.454 1
1 313 . 8 1 1 A 32 32 GLN CB C 32 28.316 28.507 -0.191 1
1 320 . 8 1 1 A 32 32 GLN C C 32 177.585 178.498 -0.913 1
1 323 . 8 1 1 A 33 33 LYS N N 33 117.874 119.481 -1.607 1
1 324 . 8 1 1 A 33 33 LYS H H 33 7.208 8.016 -0.808 1
1 325 . 8 1 1 A 33 33 LYS CA C 33 58.591 58.938 -0.347 1
1 326 . 8 1 1 A 33 33 LYS HA H 33 4.110 4.340 -0.230 1
1 327 . 8 1 1 A 33 33 LYS CB C 33 32.257 32.010 0.247 1
1 335 . 8 1 1 A 33 33 LYS C C 33 178.936 179.151 -0.215 1
1 340 . 8 1 1 A 34 34 ILE N N 34 116.468 116.065 0.403 1
1 341 . 8 1 1 A 34 34 ILE H H 34 7.885 7.798 0.087 1
1 342 . 8 1 1 A 34 34 ILE CA C 34 63.144 62.762 0.382 1
1 343 . 8 1 1 A 34 34 ILE HA H 34 3.968 3.849 0.119 1
1 344 . 8 1 1 A 34 34 ILE CB C 34 37.733 37.070 0.663 1
1 356 . 8 1 1 A 34 34 ILE C C 34 177.569 176.383 1.186 1
1 358 . 8 1 1 A 35 35 HIS N N 35 117.615 118.899 -1.284 1
1 359 . 8 1 1 A 35 35 HIS H H 35 7.189 7.811 -0.622 1
1 360 . 8 1 1 A 35 35 HIS CA C 35 55.293 57.048 -1.755 1
1 361 . 8 1 1 A 35 35 HIS HA H 35 4.851 4.592 0.259 1
1 362 . 8 1 1 A 35 35 HIS CB C 35 28.494 31.276 -2.782 1
1 368 . 8 1 1 A 35 35 HIS C C 35 175.810 177.471 -1.661 1
1 370 . 8 1 1 A 36 36 THR N N 36 111.886 113.072 -1.186 1
1 371 . 8 1 1 A 36 36 THR H H 36 7.768 8.286 -0.518 1
1 372 . 8 1 1 A 36 36 THR CA C 36 62.648 65.477 -2.829 1
1 373 . 8 1 1 A 36 36 THR HA H 36 4.341 4.000 0.341 1
1 374 . 8 1 1 A 36 36 THR CB C 36 69.832 67.942 1.890 1
1 380 . 8 1 1 A 36 36 THR C C 36 175.433 176.873 -1.440 1
1 381 . 8 1 1 A 37 37 GLY N N 37 110.507 110.730 -0.223 1
1 382 . 8 1 1 A 37 37 GLY H H 37 8.214 8.324 -0.110 1
1 383 . 8 1 1 A 37 37 GLY CA C 37 45.365 47.434 -2.069 1
1 384 . 8 1 1 A 37 37 GLY HA3 H 37 4.013 3.712 0.301 1
1 385 . 8 1 1 A 37 37 GLY C C 37 174.057 175.101 -1.044 1
1 386 . 8 1 1 A 37 37 GLY HA2 H 37 3.972 3.702 0.270 1
1 387 . 8 1 1 A 38 38 GLU N N 38 120.478 118.806 1.672 1
1 388 . 8 1 1 A 38 38 GLU H H 38 8.114 7.806 0.308 1
1 389 . 8 1 1 A 38 38 GLU CA C 38 56.517 55.444 1.073 1
1 390 . 8 1 1 A 38 38 GLU HA H 38 4.258 4.478 -0.220 1
1 391 . 8 1 1 A 38 38 GLU CB C 38 30.505 28.172 2.333 1
1 395 . 8 1 1 A 38 38 GLU C C 38 176.260 175.792 0.468 1
1 398 . 8 1 1 A 39 39 ARG N N 39 123.108 122.512 0.596 1
1 399 . 8 1 1 A 39 39 ARG H H 39 8.347 7.560 0.787 1
1 400 . 8 1 1 A 39 39 ARG CA C 39 53.836 53.527 0.309 1
1 401 . 8 1 1 A 39 39 ARG HA H 39 4.641 4.722 -0.081 1
1 402 . 8 1 1 A 39 39 ARG CB C 39 30.295 30.260 0.035 1
1 408 . 8 1 1 A 39 39 ARG C C 39 174.196 176.063 -1.867 1
1 412 . 8 1 1 A 40 40 PRO CA C 40 63.247 64.900 -1.653 1
1 413 . 8 1 1 A 40 40 PRO HA H 40 4.475 4.451 0.024 1
1 414 . 8 1 1 A 40 40 PRO CB C 40 32.174 32.103 0.071 1
1 423 . 8 1 1 A 41 41 SER N N 41 116.362 111.755 4.607 1
1 424 . 8 1 1 A 41 41 SER H H 41 8.471 7.807 0.664 1
1 425 . 8 1 1 A 41 41 SER CA C 41 58.579 57.128 1.451 1
1 426 . 8 1 1 A 41 41 SER HA H 41 4.503 4.805 -0.302 1
1 427 . 8 1 1 A 41 41 SER CB C 41 63.945 63.688 0.257 1
1 430 . 8 1 1 A 42 42 GLY CA C 42 44.665 44.276 0.389 1
1 431 . 8 1 1 A 42 42 GLY HA3 H 42 4.158 4.060 0.098 1
1 432 . 8 1 1 A 42 42 GLY HA2 H 42 4.116 4.059 0.057 1
1 433 . 8 1 1 A 43 43 PRO CA C 43 63.255 62.596 0.659 1
1 434 . 8 1 1 A 43 43 PRO HA H 43 4.474 4.722 -0.248 1
1 435 . 8 1 1 A 43 43 PRO CB C 43 32.218 31.290 0.928 1
1 444 . 8 1 1 A 45 45 SER CA C 45 58.342 57.060 1.282 1
1 445 . 8 1 1 A 45 45 SER HA H 45 4.495 4.896 -0.401 1
1 446 . 8 1 1 A 45 45 SER CB C 45 63.915 64.207 -0.292 1
1 447 . 8 1 1 A 45 45 SER C C 45 173.905 175.439 -1.534 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.450 45.674 -0.224 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.030 4.146 -0.116 1
1 3 . 9 1 1 A 7 7 GLY HA2 H 7 4.030 4.145 -0.115 1
1 4 . 9 1 1 A 8 8 THR N N 8 112.777 116.250 -3.473 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.142 9.001 -0.859 1
1 6 . 9 1 1 A 8 8 THR CA C 8 61.874 59.249 2.625 1
1 7 . 9 1 1 A 8 8 THR HA H 8 4.374 5.109 -0.735 1
1 8 . 9 1 1 A 8 8 THR CB C 8 69.838 71.833 -1.995 1
1 14 . 9 1 1 A 8 8 THR C C 8 174.631 174.348 0.283 1
1 15 . 9 1 1 A 9 9 GLY N N 9 110.604 109.275 1.329 1
1 16 . 9 1 1 A 9 9 GLY H H 9 8.219 8.854 -0.635 1
1 17 . 9 1 1 A 9 9 GLY CA C 9 45.339 46.372 -1.033 1
1 18 . 9 1 1 A 9 9 GLY HA3 H 9 3.974 4.026 -0.052 1
1 19 . 9 1 1 A 9 9 GLY C C 9 173.976 174.518 -0.542 1
1 20 . 9 1 1 A 9 9 GLY HA2 H 9 3.929 4.025 -0.096 1
1 21 . 9 1 1 A 10 10 GLU N N 10 120.077 117.148 2.929 1
1 22 . 9 1 1 A 10 10 GLU H H 10 8.193 8.105 0.088 1
1 23 . 9 1 1 A 10 10 GLU CA C 10 56.334 57.251 -0.917 1
1 24 . 9 1 1 A 10 10 GLU HA H 10 4.257 3.993 0.264 1
1 25 . 9 1 1 A 10 10 GLU CB C 10 30.542 28.101 2.441 1
1 29 . 9 1 1 A 10 10 GLU C C 10 175.869 175.697 0.172 1
1 32 . 9 1 1 A 11 11 ASN N N 11 120.072 118.166 1.906 1
1 33 . 9 1 1 A 11 11 ASN H H 11 8.365 7.972 0.393 1
1 34 . 9 1 1 A 11 11 ASN CA C 11 51.358 51.991 -0.633 1
1 35 . 9 1 1 A 11 11 ASN HA H 11 4.872 4.704 0.168 1
1 36 . 9 1 1 A 11 11 ASN CB C 11 39.215 38.139 1.076 1
1 41 . 9 1 1 A 11 11 ASN C C 11 173.417 175.278 -1.861 1
1 43 . 9 1 1 A 12 12 PRO CA C 12 63.071 64.499 -1.428 1
1 44 . 9 1 1 A 12 12 PRO HA H 12 4.304 4.026 0.278 1
1 45 . 9 1 1 A 12 12 PRO CB C 12 32.343 31.852 0.491 1
1 51 . 9 1 1 A 12 12 PRO C C 12 175.981 175.944 0.037 1
1 55 . 9 1 1 A 13 13 PHE N N 13 119.314 116.160 3.154 1
1 56 . 9 1 1 A 13 13 PHE H H 13 8.292 7.511 0.781 1
1 57 . 9 1 1 A 13 13 PHE CA C 13 57.055 56.527 0.528 1
1 58 . 9 1 1 A 13 13 PHE HA H 13 4.705 5.136 -0.431 1
1 59 . 9 1 1 A 13 13 PHE CB C 13 39.402 43.590 -4.188 1
1 71 . 9 1 1 A 13 13 PHE C C 13 174.054 174.100 -0.046 1
1 73 . 9 1 1 A 14 14 ILE N N 14 122.850 120.623 2.227 1
1 74 . 9 1 1 A 14 14 ILE H H 14 8.311 8.598 -0.287 1
1 75 . 9 1 1 A 14 14 ILE CA C 14 59.824 59.737 0.087 1
1 76 . 9 1 1 A 14 14 ILE HA H 14 4.848 5.258 -0.410 1
1 77 . 9 1 1 A 14 14 ILE CB C 14 41.237 42.173 -0.936 1
1 89 . 9 1 1 A 14 14 ILE C C 14 175.774 174.920 0.854 1
1 91 . 9 1 1 A 15 15 CYS N N 15 129.055 126.934 2.121 1
1 92 . 9 1 1 A 15 15 CYS H H 15 9.276 9.037 0.239 1
1 93 . 9 1 1 A 15 15 CYS CA C 15 59.920 59.273 0.647 1
1 94 . 9 1 1 A 15 15 CYS HA H 15 4.586 4.712 -0.126 1
1 95 . 9 1 1 A 15 15 CYS CB C 15 29.432 28.427 1.005 1
1 97 . 9 1 1 A 15 15 CYS C C 15 177.331 175.856 1.475 1
1 99 . 9 1 1 A 16 16 SER N N 16 114.664 122.586 -7.922 1
1 100 . 9 1 1 A 16 16 SER H H 16 9.283 9.061 0.222 1
1 101 . 9 1 1 A 16 16 SER CA C 16 61.085 58.037 3.048 1
1 102 . 9 1 1 A 16 16 SER HA H 16 4.215 4.606 -0.391 1
1 103 . 9 1 1 A 16 16 SER CB C 16 63.030 62.546 0.484 1
1 105 . 9 1 1 A 16 16 SER C C 16 174.495 175.188 -0.693 1
1 107 . 9 1 1 A 17 17 GLU N N 17 122.474 121.759 0.715 1
1 108 . 9 1 1 A 17 17 GLU H H 17 8.603 8.064 0.539 1
1 109 . 9 1 1 A 17 17 GLU CA C 17 58.006 57.228 0.778 1
1 110 . 9 1 1 A 17 17 GLU HA H 17 4.251 4.410 -0.159 1
1 111 . 9 1 1 A 17 17 GLU CB C 17 29.542 31.678 -2.136 1
1 115 . 9 1 1 A 17 17 GLU C C 17 177.153 177.688 -0.535 1
1 118 . 9 1 1 A 18 18 CYS N N 18 114.558 114.554 0.004 1
1 119 . 9 1 1 A 18 18 CYS H H 18 7.882 8.126 -0.244 1
1 120 . 9 1 1 A 18 18 CYS CA C 18 58.430 59.779 -1.349 1
1 121 . 9 1 1 A 18 18 CYS HA H 18 5.183 4.662 0.521 1
1 122 . 9 1 1 A 18 18 CYS CB C 18 32.630 29.816 2.814 1
1 124 . 9 1 1 A 18 18 CYS C C 18 176.361 175.435 0.926 1
1 126 . 9 1 1 A 19 19 GLY N N 19 113.615 109.942 3.673 1
1 127 . 9 1 1 A 19 19 GLY H H 19 8.332 8.113 0.219 1
1 128 . 9 1 1 A 19 19 GLY CA C 19 46.106 45.334 0.772 1
1 129 . 9 1 1 A 19 19 GLY HA3 H 19 3.733 4.087 -0.354 1
1 130 . 9 1 1 A 19 19 GLY C C 19 173.422 174.412 -0.990 1
1 131 . 9 1 1 A 19 19 GLY HA2 H 19 4.186 4.076 0.110 1
1 132 . 9 1 1 A 20 20 LYS N N 20 122.607 120.661 1.946 1
1 133 . 9 1 1 A 20 20 LYS H H 20 7.917 7.757 0.160 1
1 134 . 9 1 1 A 20 20 LYS CA C 20 58.336 54.626 3.710 1
1 135 . 9 1 1 A 20 20 LYS HA H 20 3.994 4.657 -0.663 1
1 136 . 9 1 1 A 20 20 LYS CB C 20 33.765 34.803 -1.038 1
1 144 . 9 1 1 A 20 20 LYS C C 20 174.018 174.898 -0.880 1
1 149 . 9 1 1 A 21 21 VAL N N 21 119.988 124.590 -4.602 1
1 150 . 9 1 1 A 21 21 VAL H H 21 7.622 8.343 -0.721 1
1 151 . 9 1 1 A 21 21 VAL CA C 21 61.260 61.178 0.082 1
1 152 . 9 1 1 A 21 21 VAL HA H 21 4.565 5.226 -0.661 1
1 153 . 9 1 1 A 21 21 VAL CB C 21 33.625 33.764 -0.139 1
1 163 . 9 1 1 A 21 21 VAL C C 21 175.348 174.770 0.578 1
1 164 . 9 1 1 A 22 22 PHE N N 22 122.931 124.987 -2.056 1
1 165 . 9 1 1 A 22 22 PHE H H 22 8.909 8.574 0.335 1
1 166 . 9 1 1 A 22 22 PHE CA C 22 57.177 56.753 0.424 1
1 167 . 9 1 1 A 22 22 PHE HA H 22 4.774 4.836 -0.062 1
1 168 . 9 1 1 A 22 22 PHE CB C 22 42.896 43.380 -0.484 1
1 180 . 9 1 1 A 22 22 PHE C C 22 175.213 175.924 -0.711 1
1 182 . 9 1 1 A 23 23 THR N N 23 113.904 116.222 -2.318 1
1 183 . 9 1 1 A 23 23 THR H H 23 8.911 8.747 0.164 1
1 184 . 9 1 1 A 23 23 THR CA C 23 63.768 64.016 -0.248 1
1 185 . 9 1 1 A 23 23 THR HA H 23 4.347 4.517 -0.170 1
1 186 . 9 1 1 A 23 23 THR CB C 23 69.464 69.435 0.029 1
1 192 . 9 1 1 A 23 23 THR C C 23 174.304 174.819 -0.515 1
1 193 . 9 1 1 A 24 24 HIS N N 24 118.243 119.716 -1.473 1
1 194 . 9 1 1 A 24 24 HIS H H 24 7.673 8.138 -0.465 1
1 195 . 9 1 1 A 24 24 HIS CA C 24 55.567 54.417 1.150 1
1 196 . 9 1 1 A 24 24 HIS HA H 24 4.801 4.916 -0.115 1
1 197 . 9 1 1 A 24 24 HIS CB C 24 33.368 31.992 1.376 1
1 203 . 9 1 1 A 24 24 HIS C C 24 175.494 174.967 0.527 1
1 205 . 9 1 1 A 25 25 LYS N N 25 127.606 125.174 2.432 1
1 206 . 9 1 1 A 25 25 LYS H H 25 8.431 8.311 0.120 1
1 207 . 9 1 1 A 25 25 LYS CA C 25 59.580 59.451 0.129 1
1 208 . 9 1 1 A 25 25 LYS HA H 25 2.970 3.127 -0.157 1
1 209 . 9 1 1 A 25 25 LYS CB C 25 31.932 31.430 0.502 1
1 216 . 9 1 1 A 25 25 LYS C C 25 178.019 177.731 0.288 1
1 221 . 9 1 1 A 26 26 THR N N 26 111.783 114.413 -2.630 1
1 222 . 9 1 1 A 26 26 THR H H 26 8.670 7.671 0.999 1
1 223 . 9 1 1 A 26 26 THR CA C 26 65.774 65.816 -0.042 1
1 224 . 9 1 1 A 26 26 THR HA H 26 3.753 3.856 -0.103 1
1 225 . 9 1 1 A 26 26 THR CB C 26 68.322 68.930 -0.608 1
1 231 . 9 1 1 A 26 26 THR C C 26 176.052 176.645 -0.593 1
1 232 . 9 1 1 A 27 27 ASN N N 27 116.833 120.178 -3.345 1
1 233 . 9 1 1 A 27 27 ASN H H 27 6.988 8.139 -1.151 1
1 234 . 9 1 1 A 27 27 ASN CA C 27 55.638 56.071 -0.433 1
1 235 . 9 1 1 A 27 27 ASN HA H 27 4.441 4.431 0.010 1
1 236 . 9 1 1 A 27 27 ASN CB C 27 38.215 38.097 0.118 1
1 241 . 9 1 1 A 27 27 ASN C C 27 177.347 177.520 -0.173 1
1 243 . 9 1 1 A 28 28 LEU N N 28 122.994 120.475 2.519 1
1 244 . 9 1 1 A 28 28 LEU H H 28 6.999 7.180 -0.181 1
1 245 . 9 1 1 A 28 28 LEU CA C 28 57.966 57.868 0.098 1
1 246 . 9 1 1 A 28 28 LEU HA H 28 2.973 2.813 0.160 1
1 247 . 9 1 1 A 28 28 LEU CB C 28 40.441 41.297 -0.856 1
1 259 . 9 1 1 A 28 28 LEU C C 28 177.008 178.089 -1.081 1
1 261 . 9 1 1 A 29 29 ILE N N 29 119.568 119.346 0.222 1
1 262 . 9 1 1 A 29 29 ILE H H 29 7.936 8.127 -0.191 1
1 263 . 9 1 1 A 29 29 ILE CA C 29 64.632 64.964 -0.332 1
1 264 . 9 1 1 A 29 29 ILE HA H 29 3.709 3.575 0.134 1
1 265 . 9 1 1 A 29 29 ILE CB C 29 37.474 37.367 0.107 1
1 277 . 9 1 1 A 29 29 ILE C C 29 179.171 178.649 0.522 1
1 279 . 9 1 1 A 30 30 ILE N N 30 119.207 121.758 -2.551 1
1 280 . 9 1 1 A 30 30 ILE H H 30 7.589 7.566 0.023 1
1 281 . 9 1 1 A 30 30 ILE CA C 30 64.891 64.414 0.477 1
1 282 . 9 1 1 A 30 30 ILE HA H 30 3.617 3.729 -0.112 1
1 283 . 9 1 1 A 30 30 ILE CB C 30 38.513 36.581 1.932 1
1 295 . 9 1 1 A 30 30 ILE C C 30 178.757 178.278 0.479 1
1 297 . 9 1 1 A 31 31 HIS N N 31 119.828 120.406 -0.578 1
1 298 . 9 1 1 A 31 31 HIS H H 31 7.534 8.203 -0.669 1
1 299 . 9 1 1 A 31 31 HIS CA C 31 59.278 60.099 -0.821 1
1 300 . 9 1 1 A 31 31 HIS HA H 31 4.193 4.065 0.128 1
1 301 . 9 1 1 A 31 31 HIS CB C 31 28.635 29.638 -1.003 1
1 307 . 9 1 1 A 31 31 HIS C C 31 176.316 176.992 -0.676 1
1 309 . 9 1 1 A 32 32 GLN N N 32 115.270 117.573 -2.303 1
1 310 . 9 1 1 A 32 32 GLN H H 32 8.431 8.329 0.102 1
1 311 . 9 1 1 A 32 32 GLN CA C 32 59.504 58.868 0.636 1
1 312 . 9 1 1 A 32 32 GLN HA H 32 3.661 3.962 -0.301 1
1 313 . 9 1 1 A 32 32 GLN CB C 32 28.316 28.343 -0.027 1
1 320 . 9 1 1 A 32 32 GLN C C 32 177.585 178.665 -1.080 1
1 323 . 9 1 1 A 33 33 LYS N N 33 117.874 119.558 -1.684 1
1 324 . 9 1 1 A 33 33 LYS H H 33 7.208 7.672 -0.464 1
1 325 . 9 1 1 A 33 33 LYS CA C 33 58.591 58.934 -0.343 1
1 326 . 9 1 1 A 33 33 LYS HA H 33 4.110 4.019 0.091 1
1 327 . 9 1 1 A 33 33 LYS CB C 33 32.257 32.563 -0.306 1
1 335 . 9 1 1 A 33 33 LYS C C 33 178.936 179.243 -0.307 1
1 340 . 9 1 1 A 34 34 ILE N N 34 116.468 116.839 -0.371 1
1 341 . 9 1 1 A 34 34 ILE H H 34 7.885 7.877 0.008 1
1 342 . 9 1 1 A 34 34 ILE CA C 34 63.144 63.062 0.082 1
1 343 . 9 1 1 A 34 34 ILE HA H 34 3.968 3.824 0.144 1
1 344 . 9 1 1 A 34 34 ILE CB C 34 37.733 37.233 0.500 1
1 356 . 9 1 1 A 34 34 ILE C C 34 177.569 176.617 0.952 1
1 358 . 9 1 1 A 35 35 HIS N N 35 117.615 119.734 -2.119 1
1 359 . 9 1 1 A 35 35 HIS H H 35 7.189 7.949 -0.760 1
1 360 . 9 1 1 A 35 35 HIS CA C 35 55.293 57.254 -1.961 1
1 361 . 9 1 1 A 35 35 HIS HA H 35 4.851 4.581 0.270 1
1 362 . 9 1 1 A 35 35 HIS CB C 35 28.494 31.530 -3.036 1
1 368 . 9 1 1 A 35 35 HIS C C 35 175.810 177.253 -1.443 1
1 370 . 9 1 1 A 36 36 THR N N 36 111.886 111.614 0.272 1
1 371 . 9 1 1 A 36 36 THR H H 36 7.768 7.797 -0.029 1
1 372 . 9 1 1 A 36 36 THR CA C 36 62.648 64.063 -1.415 1
1 373 . 9 1 1 A 36 36 THR HA H 36 4.341 4.098 0.243 1
1 374 . 9 1 1 A 36 36 THR CB C 36 69.832 69.026 0.806 1
1 380 . 9 1 1 A 36 36 THR C C 36 175.433 174.849 0.584 1
1 381 . 9 1 1 A 37 37 GLY N N 37 110.507 108.375 2.132 1
1 382 . 9 1 1 A 37 37 GLY H H 37 8.214 6.998 1.216 1
1 383 . 9 1 1 A 37 37 GLY CA C 37 45.365 45.792 -0.427 1
1 384 . 9 1 1 A 37 37 GLY HA3 H 37 4.013 4.041 -0.028 1
1 385 . 9 1 1 A 37 37 GLY C C 37 174.057 173.481 0.576 1
1 386 . 9 1 1 A 37 37 GLY HA2 H 37 3.972 4.038 -0.066 1
1 387 . 9 1 1 A 38 38 GLU N N 38 120.478 118.726 1.752 1
1 388 . 9 1 1 A 38 38 GLU H H 38 8.114 8.748 -0.634 1
1 389 . 9 1 1 A 38 38 GLU CA C 38 56.517 57.232 -0.715 1
1 390 . 9 1 1 A 38 38 GLU HA H 38 4.258 4.533 -0.275 1
1 391 . 9 1 1 A 38 38 GLU CB C 38 30.505 31.905 -1.400 1
1 395 . 9 1 1 A 38 38 GLU C C 38 176.260 176.192 0.068 1
1 398 . 9 1 1 A 39 39 ARG N N 39 123.108 118.524 4.584 1
1 399 . 9 1 1 A 39 39 ARG H H 39 8.347 7.420 0.927 1
1 400 . 9 1 1 A 39 39 ARG CA C 39 53.836 55.333 -1.497 1
1 401 . 9 1 1 A 39 39 ARG HA H 39 4.641 4.449 0.192 1
1 402 . 9 1 1 A 39 39 ARG CB C 39 30.295 30.229 0.066 1
1 408 . 9 1 1 A 39 39 ARG C C 39 174.196 175.547 -1.351 1
1 412 . 9 1 1 A 40 40 PRO CA C 40 63.247 62.843 0.404 1
1 413 . 9 1 1 A 40 40 PRO HA H 40 4.475 4.501 -0.026 1
1 414 . 9 1 1 A 40 40 PRO CB C 40 32.174 31.718 0.456 1
1 423 . 9 1 1 A 41 41 SER N N 41 116.362 118.291 -1.929 1
1 424 . 9 1 1 A 41 41 SER H H 41 8.471 8.525 -0.054 1
1 425 . 9 1 1 A 41 41 SER CA C 41 58.579 59.687 -1.108 1
1 426 . 9 1 1 A 41 41 SER HA H 41 4.503 4.242 0.261 1
1 427 . 9 1 1 A 41 41 SER CB C 41 63.945 63.143 0.802 1
1 430 . 9 1 1 A 42 42 GLY CA C 42 44.665 46.095 -1.430 1
1 431 . 9 1 1 A 42 42 GLY HA3 H 42 4.158 4.113 0.045 1
1 432 . 9 1 1 A 42 42 GLY HA2 H 42 4.116 4.113 0.003 1
1 433 . 9 1 1 A 43 43 PRO CA C 43 63.255 65.382 -2.127 1
1 434 . 9 1 1 A 43 43 PRO HA H 43 4.474 4.306 0.168 1
1 435 . 9 1 1 A 43 43 PRO CB C 43 32.218 31.012 1.206 1
1 444 . 9 1 1 A 45 45 SER CA C 45 58.342 59.388 -1.046 1
1 445 . 9 1 1 A 45 45 SER HA H 45 4.495 4.176 0.319 1
1 446 . 9 1 1 A 45 45 SER CB C 45 63.915 61.662 2.253 1
1 447 . 9 1 1 A 45 45 SER C C 45 173.905 174.504 -0.599 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.450 45.430 0.020 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.030 4.119 -0.089 1
1 3 . 10 1 1 A 7 7 GLY HA2 H 7 4.030 4.118 -0.088 1
1 4 . 10 1 1 A 8 8 THR N N 8 112.777 115.596 -2.819 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.142 8.411 -0.269 1
1 6 . 10 1 1 A 8 8 THR CA C 8 61.874 59.457 2.417 1
1 7 . 10 1 1 A 8 8 THR HA H 8 4.374 5.039 -0.665 1
1 8 . 10 1 1 A 8 8 THR CB C 8 69.838 71.728 -1.890 1
1 14 . 10 1 1 A 8 8 THR C C 8 174.631 174.107 0.524 1
1 15 . 10 1 1 A 9 9 GLY N N 9 110.604 114.436 -3.832 1
1 16 . 10 1 1 A 9 9 GLY H H 9 8.219 8.568 -0.349 1
1 17 . 10 1 1 A 9 9 GLY CA C 9 45.339 45.133 0.206 1
1 18 . 10 1 1 A 9 9 GLY HA3 H 9 3.974 4.153 -0.179 1
1 19 . 10 1 1 A 9 9 GLY C C 9 173.976 173.876 0.100 1
1 20 . 10 1 1 A 9 9 GLY HA2 H 9 3.929 4.150 -0.221 1
1 21 . 10 1 1 A 10 10 GLU N N 10 120.077 124.064 -3.987 1
1 22 . 10 1 1 A 10 10 GLU H H 10 8.193 8.339 -0.146 1
1 23 . 10 1 1 A 10 10 GLU CA C 10 56.334 54.759 1.575 1
1 24 . 10 1 1 A 10 10 GLU HA H 10 4.257 4.929 -0.672 1
1 25 . 10 1 1 A 10 10 GLU CB C 10 30.542 31.659 -1.117 1
1 29 . 10 1 1 A 10 10 GLU C C 10 175.869 175.684 0.185 1
1 32 . 10 1 1 A 11 11 ASN N N 11 120.072 125.212 -5.140 1
1 33 . 10 1 1 A 11 11 ASN H H 11 8.365 8.852 -0.487 1
1 34 . 10 1 1 A 11 11 ASN CA C 11 51.358 51.835 -0.477 1
1 35 . 10 1 1 A 11 11 ASN HA H 11 4.872 4.734 0.138 1
1 36 . 10 1 1 A 11 11 ASN CB C 11 39.215 37.755 1.460 1
1 41 . 10 1 1 A 11 11 ASN C C 11 173.417 175.634 -2.217 1
1 43 . 10 1 1 A 12 12 PRO CA C 12 63.071 64.441 -1.370 1
1 44 . 10 1 1 A 12 12 PRO HA H 12 4.304 3.979 0.325 1
1 45 . 10 1 1 A 12 12 PRO CB C 12 32.343 31.803 0.540 1
1 51 . 10 1 1 A 12 12 PRO C C 12 175.981 175.836 0.145 1
1 55 . 10 1 1 A 13 13 PHE N N 13 119.314 115.858 3.456 1
1 56 . 10 1 1 A 13 13 PHE H H 13 8.292 7.488 0.804 1
1 57 . 10 1 1 A 13 13 PHE CA C 13 57.055 56.529 0.526 1
1 58 . 10 1 1 A 13 13 PHE HA H 13 4.705 5.089 -0.384 1
1 59 . 10 1 1 A 13 13 PHE CB C 13 39.402 43.642 -4.240 1
1 71 . 10 1 1 A 13 13 PHE C C 13 174.054 174.200 -0.146 1
1 73 . 10 1 1 A 14 14 ILE N N 14 122.850 121.620 1.230 1
1 74 . 10 1 1 A 14 14 ILE H H 14 8.311 8.727 -0.416 1
1 75 . 10 1 1 A 14 14 ILE CA C 14 59.824 59.575 0.249 1
1 76 . 10 1 1 A 14 14 ILE HA H 14 4.848 4.735 0.113 1
1 77 . 10 1 1 A 14 14 ILE CB C 14 41.237 41.694 -0.457 1
1 89 . 10 1 1 A 14 14 ILE C C 14 175.774 175.406 0.368 1
1 91 . 10 1 1 A 15 15 CYS N N 15 129.055 130.154 -1.099 1
1 92 . 10 1 1 A 15 15 CYS H H 15 9.276 9.110 0.166 1
1 93 . 10 1 1 A 15 15 CYS CA C 15 59.920 60.259 -0.339 1
1 94 . 10 1 1 A 15 15 CYS HA H 15 4.586 4.573 0.013 1
1 95 . 10 1 1 A 15 15 CYS CB C 15 29.432 28.888 0.544 1
1 97 . 10 1 1 A 15 15 CYS C C 15 177.331 176.357 0.974 1
1 99 . 10 1 1 A 16 16 SER N N 16 114.664 122.852 -8.188 1
1 100 . 10 1 1 A 16 16 SER H H 16 9.283 9.168 0.115 1
1 101 . 10 1 1 A 16 16 SER CA C 16 61.085 58.556 2.529 1
1 102 . 10 1 1 A 16 16 SER HA H 16 4.215 4.657 -0.442 1
1 103 . 10 1 1 A 16 16 SER CB C 16 63.030 63.208 -0.178 1
1 105 . 10 1 1 A 16 16 SER C C 16 174.495 175.338 -0.843 1
1 107 . 10 1 1 A 17 17 GLU N N 17 122.474 120.887 1.587 1
1 108 . 10 1 1 A 17 17 GLU H H 17 8.603 8.016 0.587 1
1 109 . 10 1 1 A 17 17 GLU CA C 17 58.006 57.436 0.570 1
1 110 . 10 1 1 A 17 17 GLU HA H 17 4.251 4.421 -0.170 1
1 111 . 10 1 1 A 17 17 GLU CB C 17 29.542 31.008 -1.466 1
1 115 . 10 1 1 A 17 17 GLU C C 17 177.153 178.002 -0.849 1
1 118 . 10 1 1 A 18 18 CYS N N 18 114.558 114.879 -0.321 1
1 119 . 10 1 1 A 18 18 CYS H H 18 7.882 8.195 -0.313 1
1 120 . 10 1 1 A 18 18 CYS CA C 18 58.430 59.713 -1.283 1
1 121 . 10 1 1 A 18 18 CYS HA H 18 5.183 4.599 0.584 1
1 122 . 10 1 1 A 18 18 CYS CB C 18 32.630 29.235 3.395 1
1 124 . 10 1 1 A 18 18 CYS C C 18 176.361 175.241 1.120 1
1 126 . 10 1 1 A 19 19 GLY N N 19 113.615 109.931 3.684 1
1 127 . 10 1 1 A 19 19 GLY H H 19 8.332 8.098 0.234 1
1 128 . 10 1 1 A 19 19 GLY CA C 19 46.106 45.331 0.775 1
1 129 . 10 1 1 A 19 19 GLY HA3 H 19 3.733 4.094 -0.361 1
1 130 . 10 1 1 A 19 19 GLY C C 19 173.422 174.346 -0.924 1
1 131 . 10 1 1 A 19 19 GLY HA2 H 19 4.186 4.082 0.104 1
1 132 . 10 1 1 A 20 20 LYS N N 20 122.607 120.891 1.716 1
1 133 . 10 1 1 A 20 20 LYS H H 20 7.917 7.725 0.192 1
1 134 . 10 1 1 A 20 20 LYS CA C 20 58.336 54.762 3.574 1
1 135 . 10 1 1 A 20 20 LYS HA H 20 3.994 4.619 -0.625 1
1 136 . 10 1 1 A 20 20 LYS CB C 20 33.765 34.488 -0.723 1
1 144 . 10 1 1 A 20 20 LYS C C 20 174.018 174.967 -0.949 1
1 149 . 10 1 1 A 21 21 VAL N N 21 119.988 126.701 -6.713 1
1 150 . 10 1 1 A 21 21 VAL H H 21 7.622 8.393 -0.771 1
1 151 . 10 1 1 A 21 21 VAL CA C 21 61.260 61.145 0.115 1
1 152 . 10 1 1 A 21 21 VAL HA H 21 4.565 4.962 -0.397 1
1 153 . 10 1 1 A 21 21 VAL CB C 21 33.625 33.000 0.625 1
1 163 . 10 1 1 A 21 21 VAL C C 21 175.348 174.243 1.105 1
1 164 . 10 1 1 A 22 22 PHE N N 22 122.931 126.511 -3.580 1
1 165 . 10 1 1 A 22 22 PHE H H 22 8.909 8.836 0.073 1
1 166 . 10 1 1 A 22 22 PHE CA C 22 57.177 56.553 0.624 1
1 167 . 10 1 1 A 22 22 PHE HA H 22 4.774 4.931 -0.157 1
1 168 . 10 1 1 A 22 22 PHE CB C 22 42.896 42.995 -0.099 1
1 180 . 10 1 1 A 22 22 PHE C C 22 175.213 176.164 -0.951 1
1 182 . 10 1 1 A 23 23 THR N N 23 113.904 116.089 -2.185 1
1 183 . 10 1 1 A 23 23 THR H H 23 8.911 8.957 -0.046 1
1 184 . 10 1 1 A 23 23 THR CA C 23 63.768 62.527 1.241 1
1 185 . 10 1 1 A 23 23 THR HA H 23 4.347 4.600 -0.253 1
1 186 . 10 1 1 A 23 23 THR CB C 23 69.464 68.864 0.600 1
1 192 . 10 1 1 A 23 23 THR C C 23 174.304 174.426 -0.122 1
1 193 . 10 1 1 A 24 24 HIS N N 24 118.243 120.900 -2.657 1
1 194 . 10 1 1 A 24 24 HIS H H 24 7.673 7.847 -0.174 1
1 195 . 10 1 1 A 24 24 HIS CA C 24 55.567 56.371 -0.804 1
1 196 . 10 1 1 A 24 24 HIS HA H 24 4.801 4.907 -0.106 1
1 197 . 10 1 1 A 24 24 HIS CB C 24 33.368 32.773 0.595 1
1 203 . 10 1 1 A 24 24 HIS C C 24 175.494 175.263 0.231 1
1 205 . 10 1 1 A 25 25 LYS N N 25 127.606 124.254 3.352 1
1 206 . 10 1 1 A 25 25 LYS H H 25 8.431 8.387 0.044 1
1 207 . 10 1 1 A 25 25 LYS CA C 25 59.580 58.473 1.107 1
1 208 . 10 1 1 A 25 25 LYS HA H 25 2.970 3.302 -0.332 1
1 209 . 10 1 1 A 25 25 LYS CB C 25 31.932 31.364 0.568 1
1 216 . 10 1 1 A 25 25 LYS C C 25 178.019 177.815 0.204 1
1 221 . 10 1 1 A 26 26 THR N N 26 111.783 117.008 -5.225 1
1 222 . 10 1 1 A 26 26 THR H H 26 8.670 7.582 1.088 1
1 223 . 10 1 1 A 26 26 THR CA C 26 65.774 67.499 -1.725 1
1 224 . 10 1 1 A 26 26 THR HA H 26 3.753 3.887 -0.134 1
1 225 . 10 1 1 A 26 26 THR CB C 26 68.322 68.352 -0.030 1
1 231 . 10 1 1 A 26 26 THR C C 26 176.052 176.531 -0.479 1
1 232 . 10 1 1 A 27 27 ASN N N 27 116.833 119.112 -2.279 1
1 233 . 10 1 1 A 27 27 ASN H H 27 6.988 8.418 -1.430 1
1 234 . 10 1 1 A 27 27 ASN CA C 27 55.638 56.546 -0.908 1
1 235 . 10 1 1 A 27 27 ASN HA H 27 4.441 4.502 -0.061 1
1 236 . 10 1 1 A 27 27 ASN CB C 27 38.215 38.362 -0.147 1
1 241 . 10 1 1 A 27 27 ASN C C 27 177.347 177.629 -0.282 1
1 243 . 10 1 1 A 28 28 LEU N N 28 122.994 120.262 2.732 1
1 244 . 10 1 1 A 28 28 LEU H H 28 6.999 7.494 -0.495 1
1 245 . 10 1 1 A 28 28 LEU CA C 28 57.966 57.728 0.238 1
1 246 . 10 1 1 A 28 28 LEU HA H 28 2.973 2.467 0.506 1
1 247 . 10 1 1 A 28 28 LEU CB C 28 40.441 41.628 -1.187 1
1 259 . 10 1 1 A 28 28 LEU C C 28 177.008 178.556 -1.548 1
1 261 . 10 1 1 A 29 29 ILE N N 29 119.568 119.849 -0.281 1
1 262 . 10 1 1 A 29 29 ILE H H 29 7.936 7.814 0.122 1
1 263 . 10 1 1 A 29 29 ILE CA C 29 64.632 65.294 -0.662 1
1 264 . 10 1 1 A 29 29 ILE HA H 29 3.709 3.464 0.245 1
1 265 . 10 1 1 A 29 29 ILE CB C 29 37.474 37.806 -0.332 1
1 277 . 10 1 1 A 29 29 ILE C C 29 179.171 178.252 0.919 1
1 279 . 10 1 1 A 30 30 ILE N N 30 119.207 120.143 -0.936 1
1 280 . 10 1 1 A 30 30 ILE H H 30 7.589 8.007 -0.418 1
1 281 . 10 1 1 A 30 30 ILE CA C 30 64.891 64.901 -0.010 1
1 282 . 10 1 1 A 30 30 ILE HA H 30 3.617 3.575 0.042 1
1 283 . 10 1 1 A 30 30 ILE CB C 30 38.513 37.413 1.100 1
1 295 . 10 1 1 A 30 30 ILE C C 30 178.757 178.451 0.306 1
1 297 . 10 1 1 A 31 31 HIS N N 31 119.828 120.264 -0.436 1
1 298 . 10 1 1 A 31 31 HIS H H 31 7.534 7.756 -0.222 1
1 299 . 10 1 1 A 31 31 HIS CA C 31 59.278 59.767 -0.489 1
1 300 . 10 1 1 A 31 31 HIS HA H 31 4.193 4.187 0.006 1
1 301 . 10 1 1 A 31 31 HIS CB C 31 28.635 29.703 -1.068 1
1 307 . 10 1 1 A 31 31 HIS C C 31 176.316 176.975 -0.659 1
1 309 . 10 1 1 A 32 32 GLN N N 32 115.270 117.312 -2.042 1
1 310 . 10 1 1 A 32 32 GLN H H 32 8.431 8.361 0.070 1
1 311 . 10 1 1 A 32 32 GLN CA C 32 59.504 59.351 0.153 1
1 312 . 10 1 1 A 32 32 GLN HA H 32 3.661 3.976 -0.315 1
1 313 . 10 1 1 A 32 32 GLN CB C 32 28.316 28.416 -0.100 1
1 320 . 10 1 1 A 32 32 GLN C C 32 177.585 178.554 -0.969 1
1 323 . 10 1 1 A 33 33 LYS N N 33 117.874 119.929 -2.055 1
1 324 . 10 1 1 A 33 33 LYS H H 33 7.208 8.008 -0.800 1
1 325 . 10 1 1 A 33 33 LYS CA C 33 58.591 59.002 -0.411 1
1 326 . 10 1 1 A 33 33 LYS HA H 33 4.110 3.990 0.120 1
1 327 . 10 1 1 A 33 33 LYS CB C 33 32.257 32.663 -0.406 1
1 335 . 10 1 1 A 33 33 LYS C C 33 178.936 179.461 -0.525 1
1 340 . 10 1 1 A 34 34 ILE N N 34 116.468 116.868 -0.400 1
1 341 . 10 1 1 A 34 34 ILE H H 34 7.885 7.992 -0.107 1
1 342 . 10 1 1 A 34 34 ILE CA C 34 63.144 63.515 -0.371 1
1 343 . 10 1 1 A 34 34 ILE HA H 34 3.968 3.760 0.208 1
1 344 . 10 1 1 A 34 34 ILE CB C 34 37.733 37.220 0.513 1
1 356 . 10 1 1 A 34 34 ILE C C 34 177.569 176.643 0.926 1
1 358 . 10 1 1 A 35 35 HIS N N 35 117.615 119.482 -1.867 1
1 359 . 10 1 1 A 35 35 HIS H H 35 7.189 7.788 -0.599 1
1 360 . 10 1 1 A 35 35 HIS CA C 35 55.293 55.850 -0.557 1
1 361 . 10 1 1 A 35 35 HIS HA H 35 4.851 4.657 0.194 1
1 362 . 10 1 1 A 35 35 HIS CB C 35 28.494 29.667 -1.173 1
1 368 . 10 1 1 A 35 35 HIS C C 35 175.810 174.707 1.103 1
1 370 . 10 1 1 A 36 36 THR N N 36 111.886 113.224 -1.338 1
1 371 . 10 1 1 A 36 36 THR H H 36 7.768 7.820 -0.052 1
1 372 . 10 1 1 A 36 36 THR CA C 36 62.648 61.008 1.640 1
1 373 . 10 1 1 A 36 36 THR HA H 36 4.341 4.598 -0.257 1
1 374 . 10 1 1 A 36 36 THR CB C 36 69.832 71.373 -1.541 1
1 380 . 10 1 1 A 36 36 THR C C 36 175.433 172.686 2.747 1
1 381 . 10 1 1 A 37 37 GLY N N 37 110.507 114.547 -4.040 1
1 382 . 10 1 1 A 37 37 GLY H H 37 8.214 8.690 -0.476 1
1 383 . 10 1 1 A 37 37 GLY CA C 37 45.365 44.556 0.809 1
1 384 . 10 1 1 A 37 37 GLY HA3 H 37 4.013 4.110 -0.097 1
1 385 . 10 1 1 A 37 37 GLY C C 37 174.057 172.417 1.640 1
1 386 . 10 1 1 A 37 37 GLY HA2 H 37 3.972 4.105 -0.133 1
1 387 . 10 1 1 A 38 38 GLU N N 38 120.478 122.656 -2.178 1
1 388 . 10 1 1 A 38 38 GLU H H 38 8.114 8.662 -0.548 1
1 389 . 10 1 1 A 38 38 GLU CA C 38 56.517 55.191 1.326 1
1 390 . 10 1 1 A 38 38 GLU HA H 38 4.258 4.797 -0.539 1
1 391 . 10 1 1 A 38 38 GLU CB C 38 30.505 30.934 -0.429 1
1 395 . 10 1 1 A 38 38 GLU C C 38 176.260 175.182 1.078 1
1 398 . 10 1 1 A 39 39 ARG N N 39 123.108 126.276 -3.168 1
1 399 . 10 1 1 A 39 39 ARG H H 39 8.347 8.790 -0.443 1
1 400 . 10 1 1 A 39 39 ARG CA C 39 53.836 53.357 0.479 1
1 401 . 10 1 1 A 39 39 ARG HA H 39 4.641 5.006 -0.365 1
1 402 . 10 1 1 A 39 39 ARG CB C 39 30.295 31.311 -1.016 1
1 408 . 10 1 1 A 39 39 ARG C C 39 174.196 173.868 0.328 1
1 412 . 10 1 1 A 40 40 PRO CA C 40 63.247 62.619 0.628 1
1 413 . 10 1 1 A 40 40 PRO HA H 40 4.475 4.644 -0.169 1
1 414 . 10 1 1 A 40 40 PRO CB C 40 32.174 31.557 0.617 1
1 423 . 10 1 1 A 41 41 SER N N 41 116.362 118.978 -2.616 1
1 424 . 10 1 1 A 41 41 SER H H 41 8.471 8.575 -0.104 1
1 425 . 10 1 1 A 41 41 SER CA C 41 58.579 60.413 -1.834 1
1 426 . 10 1 1 A 41 41 SER HA H 41 4.503 4.118 0.385 1
1 427 . 10 1 1 A 41 41 SER CB C 41 63.945 62.773 1.172 1
1 430 . 10 1 1 A 42 42 GLY CA C 42 44.665 44.777 -0.112 1
1 431 . 10 1 1 A 42 42 GLY HA3 H 42 4.158 4.018 0.140 1
1 432 . 10 1 1 A 42 42 GLY HA2 H 42 4.116 4.018 0.098 1
1 433 . 10 1 1 A 43 43 PRO CA C 43 63.255 62.306 0.949 1
1 434 . 10 1 1 A 43 43 PRO HA H 43 4.474 4.658 -0.184 1
1 435 . 10 1 1 A 43 43 PRO CB C 43 32.218 29.866 2.352 1
1 444 . 10 1 1 A 45 45 SER CA C 45 58.342 57.012 1.330 1
1 445 . 10 1 1 A 45 45 SER HA H 45 4.495 4.603 -0.108 1
1 446 . 10 1 1 A 45 45 SER CB C 45 63.915 65.375 -1.460 1
1 447 . 10 1 1 A 45 45 SER C C 45 173.905 172.983 0.922 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.450 44.588 0.862 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.030 4.139 -0.109 1
1 3 . 11 1 1 A 7 7 GLY HA2 H 7 4.030 4.137 -0.107 1
1 4 . 11 1 1 A 8 8 THR N N 8 112.777 116.984 -4.207 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.142 8.758 -0.616 1
1 6 . 11 1 1 A 8 8 THR CA C 8 61.874 62.798 -0.924 1
1 7 . 11 1 1 A 8 8 THR HA H 8 4.374 3.915 0.459 1
1 8 . 11 1 1 A 8 8 THR CB C 8 69.838 67.569 2.269 1
1 14 . 11 1 1 A 8 8 THR C C 8 174.631 173.466 1.165 1
1 15 . 11 1 1 A 9 9 GLY N N 9 110.604 108.045 2.559 1
1 16 . 11 1 1 A 9 9 GLY H H 9 8.219 7.893 0.326 1
1 17 . 11 1 1 A 9 9 GLY CA C 9 45.339 45.046 0.293 1
1 18 . 11 1 1 A 9 9 GLY HA3 H 9 3.974 4.058 -0.084 1
1 19 . 11 1 1 A 9 9 GLY C C 9 173.976 171.333 2.643 1
1 20 . 11 1 1 A 9 9 GLY HA2 H 9 3.929 4.057 -0.128 1
1 21 . 11 1 1 A 10 10 GLU N N 10 120.077 120.680 -0.603 1
1 22 . 11 1 1 A 10 10 GLU H H 10 8.193 8.604 -0.411 1
1 23 . 11 1 1 A 10 10 GLU CA C 10 56.334 55.314 1.020 1
1 24 . 11 1 1 A 10 10 GLU HA H 10 4.257 4.864 -0.607 1
1 25 . 11 1 1 A 10 10 GLU CB C 10 30.542 30.103 0.439 1
1 29 . 11 1 1 A 10 10 GLU C C 10 175.869 174.725 1.144 1
1 32 . 11 1 1 A 11 11 ASN N N 11 120.072 123.795 -3.723 1
1 33 . 11 1 1 A 11 11 ASN H H 11 8.365 8.384 -0.019 1
1 34 . 11 1 1 A 11 11 ASN CA C 11 51.358 49.963 1.395 1
1 35 . 11 1 1 A 11 11 ASN HA H 11 4.872 5.123 -0.251 1
1 36 . 11 1 1 A 11 11 ASN CB C 11 39.215 40.484 -1.269 1
1 41 . 11 1 1 A 11 11 ASN C C 11 173.417 174.773 -1.356 1
1 43 . 11 1 1 A 12 12 PRO CA C 12 63.071 64.701 -1.630 1
1 44 . 11 1 1 A 12 12 PRO HA H 12 4.304 4.209 0.095 1
1 45 . 11 1 1 A 12 12 PRO CB C 12 32.343 32.110 0.233 1
1 51 . 11 1 1 A 12 12 PRO C C 12 175.981 176.042 -0.061 1
1 55 . 11 1 1 A 13 13 PHE N N 13 119.314 116.113 3.201 1
1 56 . 11 1 1 A 13 13 PHE H H 13 8.292 7.518 0.774 1
1 57 . 11 1 1 A 13 13 PHE CA C 13 57.055 56.448 0.607 1
1 58 . 11 1 1 A 13 13 PHE HA H 13 4.705 5.094 -0.389 1
1 59 . 11 1 1 A 13 13 PHE CB C 13 39.402 43.626 -4.224 1
1 71 . 11 1 1 A 13 13 PHE C C 13 174.054 174.033 0.021 1
1 73 . 11 1 1 A 14 14 ILE N N 14 122.850 120.293 2.557 1
1 74 . 11 1 1 A 14 14 ILE H H 14 8.311 8.567 -0.256 1
1 75 . 11 1 1 A 14 14 ILE CA C 14 59.824 60.186 -0.362 1
1 76 . 11 1 1 A 14 14 ILE HA H 14 4.848 5.213 -0.365 1
1 77 . 11 1 1 A 14 14 ILE CB C 14 41.237 42.233 -0.996 1
1 89 . 11 1 1 A 14 14 ILE C C 14 175.774 174.787 0.987 1
1 91 . 11 1 1 A 15 15 CYS N N 15 129.055 127.038 2.017 1
1 92 . 11 1 1 A 15 15 CYS H H 15 9.276 8.920 0.356 1
1 93 . 11 1 1 A 15 15 CYS CA C 15 59.920 59.231 0.689 1
1 94 . 11 1 1 A 15 15 CYS HA H 15 4.586 4.621 -0.035 1
1 95 . 11 1 1 A 15 15 CYS CB C 15 29.432 28.673 0.759 1
1 97 . 11 1 1 A 15 15 CYS C C 15 177.331 176.102 1.229 1
1 99 . 11 1 1 A 16 16 SER N N 16 114.664 122.818 -8.154 1
1 100 . 11 1 1 A 16 16 SER H H 16 9.283 9.135 0.148 1
1 101 . 11 1 1 A 16 16 SER CA C 16 61.085 58.501 2.584 1
1 102 . 11 1 1 A 16 16 SER HA H 16 4.215 4.634 -0.419 1
1 103 . 11 1 1 A 16 16 SER CB C 16 63.030 63.230 -0.200 1
1 105 . 11 1 1 A 16 16 SER C C 16 174.495 175.327 -0.832 1
1 107 . 11 1 1 A 17 17 GLU N N 17 122.474 121.176 1.298 1
1 108 . 11 1 1 A 17 17 GLU H H 17 8.603 7.828 0.775 1
1 109 . 11 1 1 A 17 17 GLU CA C 17 58.006 57.194 0.812 1
1 110 . 11 1 1 A 17 17 GLU HA H 17 4.251 4.395 -0.144 1
1 111 . 11 1 1 A 17 17 GLU CB C 17 29.542 30.914 -1.372 1
1 115 . 11 1 1 A 17 17 GLU C C 17 177.153 177.729 -0.576 1
1 118 . 11 1 1 A 18 18 CYS N N 18 114.558 114.714 -0.156 1
1 119 . 11 1 1 A 18 18 CYS H H 18 7.882 8.003 -0.121 1
1 120 . 11 1 1 A 18 18 CYS CA C 18 58.430 59.768 -1.338 1
1 121 . 11 1 1 A 18 18 CYS HA H 18 5.183 4.634 0.549 1
1 122 . 11 1 1 A 18 18 CYS CB C 18 32.630 29.641 2.989 1
1 124 . 11 1 1 A 18 18 CYS C C 18 176.361 175.320 1.041 1
1 126 . 11 1 1 A 19 19 GLY N N 19 113.615 109.851 3.764 1
1 127 . 11 1 1 A 19 19 GLY H H 19 8.332 7.959 0.373 1
1 128 . 11 1 1 A 19 19 GLY CA C 19 46.106 45.181 0.925 1
1 129 . 11 1 1 A 19 19 GLY HA3 H 19 3.733 4.071 -0.338 1
1 130 . 11 1 1 A 19 19 GLY C C 19 173.422 174.316 -0.894 1
1 131 . 11 1 1 A 19 19 GLY HA2 H 19 4.186 4.067 0.119 1
1 132 . 11 1 1 A 20 20 LYS N N 20 122.607 121.474 1.133 1
1 133 . 11 1 1 A 20 20 LYS H H 20 7.917 7.863 0.054 1
1 134 . 11 1 1 A 20 20 LYS CA C 20 58.336 55.216 3.120 1
1 135 . 11 1 1 A 20 20 LYS HA H 20 3.994 4.524 -0.530 1
1 136 . 11 1 1 A 20 20 LYS CB C 20 33.765 33.639 0.126 1
1 144 . 11 1 1 A 20 20 LYS C C 20 174.018 174.764 -0.746 1
1 149 . 11 1 1 A 21 21 VAL N N 21 119.988 124.863 -4.875 1
1 150 . 11 1 1 A 21 21 VAL H H 21 7.622 8.314 -0.692 1
1 151 . 11 1 1 A 21 21 VAL CA C 21 61.260 59.577 1.683 1
1 152 . 11 1 1 A 21 21 VAL HA H 21 4.565 5.127 -0.562 1
1 153 . 11 1 1 A 21 21 VAL CB C 21 33.625 34.454 -0.829 1
1 163 . 11 1 1 A 21 21 VAL C C 21 175.348 173.455 1.893 1
1 164 . 11 1 1 A 22 22 PHE N N 22 122.931 125.669 -2.738 1
1 165 . 11 1 1 A 22 22 PHE H H 22 8.909 8.934 -0.025 1
1 166 . 11 1 1 A 22 22 PHE CA C 22 57.177 56.610 0.567 1
1 167 . 11 1 1 A 22 22 PHE HA H 22 4.774 4.883 -0.109 1
1 168 . 11 1 1 A 22 22 PHE CB C 22 42.896 42.725 0.171 1
1 180 . 11 1 1 A 22 22 PHE C C 22 175.213 175.806 -0.593 1
1 182 . 11 1 1 A 23 23 THR N N 23 113.904 116.619 -2.715 1
1 183 . 11 1 1 A 23 23 THR H H 23 8.911 8.917 -0.006 1
1 184 . 11 1 1 A 23 23 THR CA C 23 63.768 64.516 -0.748 1
1 185 . 11 1 1 A 23 23 THR HA H 23 4.347 4.527 -0.180 1
1 186 . 11 1 1 A 23 23 THR CB C 23 69.464 69.353 0.111 1
1 192 . 11 1 1 A 23 23 THR C C 23 174.304 175.056 -0.752 1
1 193 . 11 1 1 A 24 24 HIS N N 24 118.243 120.407 -2.164 1
1 194 . 11 1 1 A 24 24 HIS H H 24 7.673 8.031 -0.358 1
1 195 . 11 1 1 A 24 24 HIS CA C 24 55.567 54.831 0.736 1
1 196 . 11 1 1 A 24 24 HIS HA H 24 4.801 4.842 -0.041 1
1 197 . 11 1 1 A 24 24 HIS CB C 24 33.368 30.852 2.516 1
1 203 . 11 1 1 A 24 24 HIS C C 24 175.494 175.198 0.296 1
1 205 . 11 1 1 A 25 25 LYS N N 25 127.606 127.034 0.572 1
1 206 . 11 1 1 A 25 25 LYS H H 25 8.431 8.401 0.030 1
1 207 . 11 1 1 A 25 25 LYS CA C 25 59.580 59.183 0.397 1
1 208 . 11 1 1 A 25 25 LYS HA H 25 2.970 3.042 -0.072 1
1 209 . 11 1 1 A 25 25 LYS CB C 25 31.932 31.819 0.113 1
1 216 . 11 1 1 A 25 25 LYS C C 25 178.019 178.183 -0.164 1
1 221 . 11 1 1 A 26 26 THR N N 26 111.783 114.998 -3.215 1
1 222 . 11 1 1 A 26 26 THR H H 26 8.670 7.942 0.728 1
1 223 . 11 1 1 A 26 26 THR CA C 26 65.774 66.763 -0.989 1
1 224 . 11 1 1 A 26 26 THR HA H 26 3.753 3.826 -0.073 1
1 225 . 11 1 1 A 26 26 THR CB C 26 68.322 68.437 -0.115 1
1 231 . 11 1 1 A 26 26 THR C C 26 176.052 175.992 0.060 1
1 232 . 11 1 1 A 27 27 ASN N N 27 116.833 119.660 -2.827 1
1 233 . 11 1 1 A 27 27 ASN H H 27 6.988 8.565 -1.577 1
1 234 . 11 1 1 A 27 27 ASN CA C 27 55.638 56.675 -1.037 1
1 235 . 11 1 1 A 27 27 ASN HA H 27 4.441 4.331 0.110 1
1 236 . 11 1 1 A 27 27 ASN CB C 27 38.215 39.369 -1.154 1
1 241 . 11 1 1 A 27 27 ASN C C 27 177.347 177.039 0.308 1
1 243 . 11 1 1 A 28 28 LEU N N 28 122.994 119.610 3.384 1
1 244 . 11 1 1 A 28 28 LEU H H 28 6.999 7.350 -0.351 1
1 245 . 11 1 1 A 28 28 LEU CA C 28 57.966 57.634 0.332 1
1 246 . 11 1 1 A 28 28 LEU HA H 28 2.973 2.097 0.876 1
1 247 . 11 1 1 A 28 28 LEU CB C 28 40.441 41.256 -0.815 1
1 259 . 11 1 1 A 28 28 LEU C C 28 177.008 178.161 -1.153 1
1 261 . 11 1 1 A 29 29 ILE N N 29 119.568 119.567 0.001 1
1 262 . 11 1 1 A 29 29 ILE H H 29 7.936 8.013 -0.077 1
1 263 . 11 1 1 A 29 29 ILE CA C 29 64.632 65.312 -0.680 1
1 264 . 11 1 1 A 29 29 ILE HA H 29 3.709 3.648 0.061 1
1 265 . 11 1 1 A 29 29 ILE CB C 29 37.474 37.808 -0.334 1
1 277 . 11 1 1 A 29 29 ILE C C 29 179.171 178.224 0.947 1
1 279 . 11 1 1 A 30 30 ILE N N 30 119.207 120.857 -1.650 1
1 280 . 11 1 1 A 30 30 ILE H H 30 7.589 7.818 -0.229 1
1 281 . 11 1 1 A 30 30 ILE CA C 30 64.891 65.282 -0.391 1
1 282 . 11 1 1 A 30 30 ILE HA H 30 3.617 3.524 0.093 1
1 283 . 11 1 1 A 30 30 ILE CB C 30 38.513 37.621 0.892 1
1 295 . 11 1 1 A 30 30 ILE C C 30 178.757 177.950 0.807 1
1 297 . 11 1 1 A 31 31 HIS N N 31 119.828 119.357 0.471 1
1 298 . 11 1 1 A 31 31 HIS H H 31 7.534 7.959 -0.425 1
1 299 . 11 1 1 A 31 31 HIS CA C 31 59.278 60.173 -0.895 1
1 300 . 11 1 1 A 31 31 HIS HA H 31 4.193 4.119 0.074 1
1 301 . 11 1 1 A 31 31 HIS CB C 31 28.635 29.695 -1.060 1
1 307 . 11 1 1 A 31 31 HIS C C 31 176.316 177.389 -1.073 1
1 309 . 11 1 1 A 32 32 GLN N N 32 115.270 117.783 -2.513 1
1 310 . 11 1 1 A 32 32 GLN H H 32 8.431 8.332 0.099 1
1 311 . 11 1 1 A 32 32 GLN CA C 32 59.504 59.150 0.354 1
1 312 . 11 1 1 A 32 32 GLN HA H 32 3.661 4.140 -0.479 1
1 313 . 11 1 1 A 32 32 GLN CB C 32 28.316 28.465 -0.149 1
1 320 . 11 1 1 A 32 32 GLN C C 32 177.585 178.599 -1.014 1
1 323 . 11 1 1 A 33 33 LYS N N 33 117.874 119.271 -1.397 1
1 324 . 11 1 1 A 33 33 LYS H H 33 7.208 7.758 -0.550 1
1 325 . 11 1 1 A 33 33 LYS CA C 33 58.591 58.782 -0.191 1
1 326 . 11 1 1 A 33 33 LYS HA H 33 4.110 4.171 -0.061 1
1 327 . 11 1 1 A 33 33 LYS CB C 33 32.257 31.975 0.282 1
1 335 . 11 1 1 A 33 33 LYS C C 33 178.936 179.089 -0.153 1
1 340 . 11 1 1 A 34 34 ILE N N 34 116.468 115.411 1.057 1
1 341 . 11 1 1 A 34 34 ILE H H 34 7.885 7.918 -0.033 1
1 342 . 11 1 1 A 34 34 ILE CA C 34 63.144 62.816 0.328 1
1 343 . 11 1 1 A 34 34 ILE HA H 34 3.968 3.873 0.095 1
1 344 . 11 1 1 A 34 34 ILE CB C 34 37.733 37.108 0.625 1
1 356 . 11 1 1 A 34 34 ILE C C 34 177.569 176.247 1.322 1
1 358 . 11 1 1 A 35 35 HIS N N 35 117.615 119.889 -2.274 1
1 359 . 11 1 1 A 35 35 HIS H H 35 7.189 8.119 -0.930 1
1 360 . 11 1 1 A 35 35 HIS CA C 35 55.293 55.481 -0.188 1
1 361 . 11 1 1 A 35 35 HIS HA H 35 4.851 4.795 0.056 1
1 362 . 11 1 1 A 35 35 HIS CB C 35 28.494 30.167 -1.673 1
1 368 . 11 1 1 A 35 35 HIS C C 35 175.810 175.458 0.352 1
1 370 . 11 1 1 A 36 36 THR N N 36 111.886 109.140 2.746 1
1 371 . 11 1 1 A 36 36 THR H H 36 7.768 7.535 0.233 1
1 372 . 11 1 1 A 36 36 THR CA C 36 62.648 60.849 1.799 1
1 373 . 11 1 1 A 36 36 THR HA H 36 4.341 4.500 -0.159 1
1 374 . 11 1 1 A 36 36 THR CB C 36 69.832 68.873 0.959 1
1 380 . 11 1 1 A 36 36 THR C C 36 175.433 174.264 1.169 1
1 381 . 11 1 1 A 37 37 GLY N N 37 110.507 109.740 0.767 1
1 382 . 11 1 1 A 37 37 GLY H H 37 8.214 7.861 0.353 1
1 383 . 11 1 1 A 37 37 GLY CA C 37 45.365 46.858 -1.493 1
1 384 . 11 1 1 A 37 37 GLY HA3 H 37 4.013 3.911 0.102 1
1 385 . 11 1 1 A 37 37 GLY C C 37 174.057 174.860 -0.803 1
1 386 . 11 1 1 A 37 37 GLY HA2 H 37 3.972 3.907 0.065 1
1 387 . 11 1 1 A 38 38 GLU N N 38 120.478 117.858 2.620 1
1 388 . 11 1 1 A 38 38 GLU H H 38 8.114 8.199 -0.085 1
1 389 . 11 1 1 A 38 38 GLU CA C 38 56.517 57.186 -0.669 1
1 390 . 11 1 1 A 38 38 GLU HA H 38 4.258 4.473 -0.215 1
1 391 . 11 1 1 A 38 38 GLU CB C 38 30.505 32.427 -1.922 1
1 395 . 11 1 1 A 38 38 GLU C C 38 176.260 176.227 0.033 1
1 398 . 11 1 1 A 39 39 ARG N N 39 123.108 119.312 3.796 1
1 399 . 11 1 1 A 39 39 ARG H H 39 8.347 7.717 0.630 1
1 400 . 11 1 1 A 39 39 ARG CA C 39 53.836 54.564 -0.728 1
1 401 . 11 1 1 A 39 39 ARG HA H 39 4.641 4.426 0.215 1
1 402 . 11 1 1 A 39 39 ARG CB C 39 30.295 29.621 0.674 1
1 408 . 11 1 1 A 39 39 ARG C C 39 174.196 174.899 -0.703 1
1 412 . 11 1 1 A 40 40 PRO CA C 40 63.247 62.226 1.021 1
1 413 . 11 1 1 A 40 40 PRO HA H 40 4.475 4.642 -0.167 1
1 414 . 11 1 1 A 40 40 PRO CB C 40 32.174 29.535 2.639 1
1 423 . 11 1 1 A 41 41 SER N N 41 116.362 119.810 -3.448 1
1 424 . 11 1 1 A 41 41 SER H H 41 8.471 8.696 -0.225 1
1 425 . 11 1 1 A 41 41 SER CA C 41 58.579 59.456 -0.877 1
1 426 . 11 1 1 A 41 41 SER HA H 41 4.503 4.566 -0.063 1
1 427 . 11 1 1 A 41 41 SER CB C 41 63.945 64.923 -0.978 1
1 430 . 11 1 1 A 42 42 GLY CA C 42 44.665 45.503 -0.838 1
1 431 . 11 1 1 A 42 42 GLY HA3 H 42 4.158 4.023 0.135 1
1 432 . 11 1 1 A 42 42 GLY HA2 H 42 4.116 4.022 0.094 1
1 433 . 11 1 1 A 43 43 PRO CA C 43 63.255 62.742 0.513 1
1 434 . 11 1 1 A 43 43 PRO HA H 43 4.474 4.643 -0.169 1
1 435 . 11 1 1 A 43 43 PRO CB C 43 32.218 32.104 0.114 1
1 444 . 11 1 1 A 45 45 SER CA C 45 58.342 59.135 -0.793 1
1 445 . 11 1 1 A 45 45 SER HA H 45 4.495 4.580 -0.085 1
1 446 . 11 1 1 A 45 45 SER CB C 45 63.915 64.116 -0.201 1
1 447 . 11 1 1 A 45 45 SER C C 45 173.905 174.479 -0.574 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.450 45.779 -0.329 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.030 4.012 0.018 1
1 3 . 12 1 1 A 7 7 GLY HA2 H 7 4.030 4.010 0.020 1
1 4 . 12 1 1 A 8 8 THR N N 8 112.777 113.236 -0.459 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.142 7.615 0.527 1
1 6 . 12 1 1 A 8 8 THR CA C 8 61.874 63.233 -1.359 1
1 7 . 12 1 1 A 8 8 THR HA H 8 4.374 4.076 0.298 1
1 8 . 12 1 1 A 8 8 THR CB C 8 69.838 68.367 1.471 1
1 14 . 12 1 1 A 8 8 THR C C 8 174.631 175.047 -0.416 1
1 15 . 12 1 1 A 9 9 GLY N N 9 110.604 112.789 -2.185 1
1 16 . 12 1 1 A 9 9 GLY H H 9 8.219 8.528 -0.309 1
1 17 . 12 1 1 A 9 9 GLY CA C 9 45.339 45.509 -0.170 1
1 18 . 12 1 1 A 9 9 GLY HA3 H 9 3.974 3.960 0.014 1
1 19 . 12 1 1 A 9 9 GLY C C 9 173.976 174.381 -0.405 1
1 20 . 12 1 1 A 9 9 GLY HA2 H 9 3.929 3.949 -0.020 1
1 21 . 12 1 1 A 10 10 GLU N N 10 120.077 123.554 -3.477 1
1 22 . 12 1 1 A 10 10 GLU H H 10 8.193 7.683 0.510 1
1 23 . 12 1 1 A 10 10 GLU CA C 10 56.334 58.493 -2.159 1
1 24 . 12 1 1 A 10 10 GLU HA H 10 4.257 4.144 0.113 1
1 25 . 12 1 1 A 10 10 GLU CB C 10 30.542 30.719 -0.177 1
1 29 . 12 1 1 A 10 10 GLU C C 10 175.869 176.262 -0.393 1
1 32 . 12 1 1 A 11 11 ASN N N 11 120.072 115.057 5.015 1
1 33 . 12 1 1 A 11 11 ASN H H 11 8.365 7.836 0.529 1
1 34 . 12 1 1 A 11 11 ASN CA C 11 51.358 51.296 0.062 1
1 35 . 12 1 1 A 11 11 ASN HA H 11 4.872 4.853 0.019 1
1 36 . 12 1 1 A 11 11 ASN CB C 11 39.215 38.025 1.190 1
1 41 . 12 1 1 A 11 11 ASN C C 11 173.417 174.994 -1.577 1
1 43 . 12 1 1 A 12 12 PRO CA C 12 63.071 64.529 -1.458 1
1 44 . 12 1 1 A 12 12 PRO HA H 12 4.304 4.131 0.173 1
1 45 . 12 1 1 A 12 12 PRO CB C 12 32.343 31.964 0.379 1
1 51 . 12 1 1 A 12 12 PRO C C 12 175.981 175.973 0.008 1
1 55 . 12 1 1 A 13 13 PHE N N 13 119.314 115.335 3.979 1
1 56 . 12 1 1 A 13 13 PHE H H 13 8.292 7.550 0.742 1
1 57 . 12 1 1 A 13 13 PHE CA C 13 57.055 56.560 0.495 1
1 58 . 12 1 1 A 13 13 PHE HA H 13 4.705 5.107 -0.402 1
1 59 . 12 1 1 A 13 13 PHE CB C 13 39.402 43.212 -3.810 1
1 71 . 12 1 1 A 13 13 PHE C C 13 174.054 174.535 -0.481 1
1 73 . 12 1 1 A 14 14 ILE N N 14 122.850 122.883 -0.033 1
1 74 . 12 1 1 A 14 14 ILE H H 14 8.311 8.825 -0.514 1
1 75 . 12 1 1 A 14 14 ILE CA C 14 59.824 60.226 -0.402 1
1 76 . 12 1 1 A 14 14 ILE HA H 14 4.848 5.071 -0.223 1
1 77 . 12 1 1 A 14 14 ILE CB C 14 41.237 40.537 0.700 1
1 89 . 12 1 1 A 14 14 ILE C C 14 175.774 175.455 0.319 1
1 91 . 12 1 1 A 15 15 CYS N N 15 129.055 128.065 0.990 1
1 92 . 12 1 1 A 15 15 CYS H H 15 9.276 8.922 0.354 1
1 93 . 12 1 1 A 15 15 CYS CA C 15 59.920 60.424 -0.504 1
1 94 . 12 1 1 A 15 15 CYS HA H 15 4.586 4.371 0.215 1
1 95 . 12 1 1 A 15 15 CYS CB C 15 29.432 29.293 0.139 1
1 97 . 12 1 1 A 15 15 CYS C C 15 177.331 176.128 1.203 1
1 99 . 12 1 1 A 16 16 SER N N 16 114.664 122.535 -7.871 1
1 100 . 12 1 1 A 16 16 SER H H 16 9.283 8.848 0.435 1
1 101 . 12 1 1 A 16 16 SER CA C 16 61.085 58.529 2.556 1
1 102 . 12 1 1 A 16 16 SER HA H 16 4.215 4.672 -0.457 1
1 103 . 12 1 1 A 16 16 SER CB C 16 63.030 63.301 -0.271 1
1 105 . 12 1 1 A 16 16 SER C C 16 174.495 174.660 -0.165 1
1 107 . 12 1 1 A 17 17 GLU N N 17 122.474 119.537 2.937 1
1 108 . 12 1 1 A 17 17 GLU H H 17 8.603 7.986 0.617 1
1 109 . 12 1 1 A 17 17 GLU CA C 17 58.006 56.996 1.010 1
1 110 . 12 1 1 A 17 17 GLU HA H 17 4.251 4.438 -0.187 1
1 111 . 12 1 1 A 17 17 GLU CB C 17 29.542 32.062 -2.520 1
1 115 . 12 1 1 A 17 17 GLU C C 17 177.153 177.655 -0.502 1
1 118 . 12 1 1 A 18 18 CYS N N 18 114.558 114.721 -0.163 1
1 119 . 12 1 1 A 18 18 CYS H H 18 7.882 8.018 -0.136 1
1 120 . 12 1 1 A 18 18 CYS CA C 18 58.430 59.595 -1.165 1
1 121 . 12 1 1 A 18 18 CYS HA H 18 5.183 4.686 0.497 1
1 122 . 12 1 1 A 18 18 CYS CB C 18 32.630 30.067 2.563 1
1 124 . 12 1 1 A 18 18 CYS C C 18 176.361 175.725 0.636 1
1 126 . 12 1 1 A 19 19 GLY N N 19 113.615 110.426 3.189 1
1 127 . 12 1 1 A 19 19 GLY H H 19 8.332 8.276 0.056 1
1 128 . 12 1 1 A 19 19 GLY CA C 19 46.106 45.609 0.497 1
1 129 . 12 1 1 A 19 19 GLY HA3 H 19 3.733 4.073 -0.340 1
1 130 . 12 1 1 A 19 19 GLY C C 19 173.422 174.408 -0.986 1
1 131 . 12 1 1 A 19 19 GLY HA2 H 19 4.186 4.056 0.130 1
1 132 . 12 1 1 A 20 20 LYS N N 20 122.607 120.746 1.861 1
1 133 . 12 1 1 A 20 20 LYS H H 20 7.917 7.772 0.145 1
1 134 . 12 1 1 A 20 20 LYS CA C 20 58.336 54.728 3.608 1
1 135 . 12 1 1 A 20 20 LYS HA H 20 3.994 4.564 -0.570 1
1 136 . 12 1 1 A 20 20 LYS CB C 20 33.765 34.268 -0.503 1
1 144 . 12 1 1 A 20 20 LYS C C 20 174.018 174.976 -0.958 1
1 149 . 12 1 1 A 21 21 VAL N N 21 119.988 124.979 -4.991 1
1 150 . 12 1 1 A 21 21 VAL H H 21 7.622 8.388 -0.766 1
1 151 . 12 1 1 A 21 21 VAL CA C 21 61.260 60.992 0.268 1
1 152 . 12 1 1 A 21 21 VAL HA H 21 4.565 5.080 -0.515 1
1 153 . 12 1 1 A 21 21 VAL CB C 21 33.625 32.741 0.884 1
1 163 . 12 1 1 A 21 21 VAL C C 21 175.348 174.812 0.536 1
1 164 . 12 1 1 A 22 22 PHE N N 22 122.931 125.723 -2.792 1
1 165 . 12 1 1 A 22 22 PHE H H 22 8.909 9.064 -0.155 1
1 166 . 12 1 1 A 22 22 PHE CA C 22 57.177 56.073 1.104 1
1 167 . 12 1 1 A 22 22 PHE HA H 22 4.774 4.953 -0.179 1
1 168 . 12 1 1 A 22 22 PHE CB C 22 42.896 42.218 0.678 1
1 180 . 12 1 1 A 22 22 PHE C C 22 175.213 175.945 -0.732 1
1 182 . 12 1 1 A 23 23 THR N N 23 113.904 116.826 -2.922 1
1 183 . 12 1 1 A 23 23 THR H H 23 8.911 8.709 0.202 1
1 184 . 12 1 1 A 23 23 THR CA C 23 63.768 65.018 -1.250 1
1 185 . 12 1 1 A 23 23 THR HA H 23 4.347 4.421 -0.074 1
1 186 . 12 1 1 A 23 23 THR CB C 23 69.464 69.405 0.059 1
1 192 . 12 1 1 A 23 23 THR C C 23 174.304 174.930 -0.626 1
1 193 . 12 1 1 A 24 24 HIS N N 24 118.243 117.897 0.346 1
1 194 . 12 1 1 A 24 24 HIS H H 24 7.673 8.006 -0.333 1
1 195 . 12 1 1 A 24 24 HIS CA C 24 55.567 53.854 1.713 1
1 196 . 12 1 1 A 24 24 HIS HA H 24 4.801 4.867 -0.066 1
1 197 . 12 1 1 A 24 24 HIS CB C 24 33.368 31.655 1.713 1
1 203 . 12 1 1 A 24 24 HIS C C 24 175.494 175.149 0.345 1
1 205 . 12 1 1 A 25 25 LYS N N 25 127.606 121.691 5.915 1
1 206 . 12 1 1 A 25 25 LYS H H 25 8.431 8.721 -0.290 1
1 207 . 12 1 1 A 25 25 LYS CA C 25 59.580 59.437 0.143 1
1 208 . 12 1 1 A 25 25 LYS HA H 25 2.970 2.868 0.102 1
1 209 . 12 1 1 A 25 25 LYS CB C 25 31.932 31.746 0.186 1
1 216 . 12 1 1 A 25 25 LYS C C 25 178.019 178.001 0.018 1
1 221 . 12 1 1 A 26 26 THR N N 26 111.783 114.816 -3.033 1
1 222 . 12 1 1 A 26 26 THR H H 26 8.670 7.892 0.778 1
1 223 . 12 1 1 A 26 26 THR CA C 26 65.774 66.218 -0.444 1
1 224 . 12 1 1 A 26 26 THR HA H 26 3.753 3.738 0.015 1
1 225 . 12 1 1 A 26 26 THR CB C 26 68.322 68.281 0.041 1
1 231 . 12 1 1 A 26 26 THR C C 26 176.052 176.421 -0.369 1
1 232 . 12 1 1 A 27 27 ASN N N 27 116.833 119.264 -2.431 1
1 233 . 12 1 1 A 27 27 ASN H H 27 6.988 7.833 -0.845 1
1 234 . 12 1 1 A 27 27 ASN CA C 27 55.638 56.246 -0.608 1
1 235 . 12 1 1 A 27 27 ASN HA H 27 4.441 4.266 0.175 1
1 236 . 12 1 1 A 27 27 ASN CB C 27 38.215 38.849 -0.634 1
1 241 . 12 1 1 A 27 27 ASN C C 27 177.347 177.027 0.320 1
1 243 . 12 1 1 A 28 28 LEU N N 28 122.994 119.560 3.434 1
1 244 . 12 1 1 A 28 28 LEU H H 28 6.999 7.577 -0.578 1
1 245 . 12 1 1 A 28 28 LEU CA C 28 57.966 57.512 0.454 1
1 246 . 12 1 1 A 28 28 LEU HA H 28 2.973 2.116 0.857 1
1 247 . 12 1 1 A 28 28 LEU CB C 28 40.441 40.829 -0.388 1
1 259 . 12 1 1 A 28 28 LEU C C 28 177.008 178.116 -1.108 1
1 261 . 12 1 1 A 29 29 ILE N N 29 119.568 119.940 -0.372 1
1 262 . 12 1 1 A 29 29 ILE H H 29 7.936 7.993 -0.057 1
1 263 . 12 1 1 A 29 29 ILE CA C 29 64.632 65.072 -0.440 1
1 264 . 12 1 1 A 29 29 ILE HA H 29 3.709 3.682 0.027 1
1 265 . 12 1 1 A 29 29 ILE CB C 29 37.474 37.696 -0.222 1
1 277 . 12 1 1 A 29 29 ILE C C 29 179.171 178.402 0.769 1
1 279 . 12 1 1 A 30 30 ILE N N 30 119.207 120.508 -1.301 1
1 280 . 12 1 1 A 30 30 ILE H H 30 7.589 8.027 -0.438 1
1 281 . 12 1 1 A 30 30 ILE CA C 30 64.891 64.567 0.324 1
1 282 . 12 1 1 A 30 30 ILE HA H 30 3.617 3.647 -0.030 1
1 283 . 12 1 1 A 30 30 ILE CB C 30 38.513 36.939 1.574 1
1 295 . 12 1 1 A 30 30 ILE C C 30 178.757 178.425 0.332 1
1 297 . 12 1 1 A 31 31 HIS N N 31 119.828 120.290 -0.462 1
1 298 . 12 1 1 A 31 31 HIS H H 31 7.534 8.221 -0.687 1
1 299 . 12 1 1 A 31 31 HIS CA C 31 59.278 60.024 -0.746 1
1 300 . 12 1 1 A 31 31 HIS HA H 31 4.193 4.172 0.021 1
1 301 . 12 1 1 A 31 31 HIS CB C 31 28.635 29.923 -1.288 1
1 307 . 12 1 1 A 31 31 HIS C C 31 176.316 177.339 -1.023 1
1 309 . 12 1 1 A 32 32 GLN N N 32 115.270 117.975 -2.705 1
1 310 . 12 1 1 A 32 32 GLN H H 32 8.431 8.629 -0.198 1
1 311 . 12 1 1 A 32 32 GLN CA C 32 59.504 59.134 0.370 1
1 312 . 12 1 1 A 32 32 GLN HA H 32 3.661 4.115 -0.454 1
1 313 . 12 1 1 A 32 32 GLN CB C 32 28.316 28.433 -0.117 1
1 320 . 12 1 1 A 32 32 GLN C C 32 177.585 178.565 -0.980 1
1 323 . 12 1 1 A 33 33 LYS N N 33 117.874 119.273 -1.399 1
1 324 . 12 1 1 A 33 33 LYS H H 33 7.208 8.007 -0.799 1
1 325 . 12 1 1 A 33 33 LYS CA C 33 58.591 58.808 -0.217 1
1 326 . 12 1 1 A 33 33 LYS HA H 33 4.110 4.146 -0.036 1
1 327 . 12 1 1 A 33 33 LYS CB C 33 32.257 31.982 0.275 1
1 335 . 12 1 1 A 33 33 LYS C C 33 178.936 179.137 -0.201 1
1 340 . 12 1 1 A 34 34 ILE N N 34 116.468 115.711 0.757 1
1 341 . 12 1 1 A 34 34 ILE H H 34 7.885 7.887 -0.002 1
1 342 . 12 1 1 A 34 34 ILE CA C 34 63.144 62.812 0.332 1
1 343 . 12 1 1 A 34 34 ILE HA H 34 3.968 3.845 0.123 1
1 344 . 12 1 1 A 34 34 ILE CB C 34 37.733 37.058 0.675 1
1 356 . 12 1 1 A 34 34 ILE C C 34 177.569 176.315 1.254 1
1 358 . 12 1 1 A 35 35 HIS N N 35 117.615 119.648 -2.033 1
1 359 . 12 1 1 A 35 35 HIS H H 35 7.189 7.906 -0.717 1
1 360 . 12 1 1 A 35 35 HIS CA C 35 55.293 55.486 -0.193 1
1 361 . 12 1 1 A 35 35 HIS HA H 35 4.851 4.792 0.059 1
1 362 . 12 1 1 A 35 35 HIS CB C 35 28.494 30.193 -1.699 1
1 368 . 12 1 1 A 35 35 HIS C C 35 175.810 174.503 1.307 1
1 370 . 12 1 1 A 36 36 THR N N 36 111.886 110.195 1.691 1
1 371 . 12 1 1 A 36 36 THR H H 36 7.768 7.751 0.017 1
1 372 . 12 1 1 A 36 36 THR CA C 36 62.648 60.657 1.991 1
1 373 . 12 1 1 A 36 36 THR HA H 36 4.341 5.134 -0.793 1
1 374 . 12 1 1 A 36 36 THR CB C 36 69.832 70.757 -0.925 1
1 380 . 12 1 1 A 36 36 THR C C 36 175.433 173.336 2.097 1
1 381 . 12 1 1 A 37 37 GLY N N 37 110.507 110.240 0.267 1
1 382 . 12 1 1 A 37 37 GLY H H 37 8.214 8.459 -0.245 1
1 383 . 12 1 1 A 37 37 GLY CA C 37 45.365 46.056 -0.691 1
1 384 . 12 1 1 A 37 37 GLY HA3 H 37 4.013 4.226 -0.213 1
1 385 . 12 1 1 A 37 37 GLY C C 37 174.057 171.711 2.346 1
1 386 . 12 1 1 A 37 37 GLY HA2 H 37 3.972 4.226 -0.254 1
1 387 . 12 1 1 A 38 38 GLU N N 38 120.478 120.194 0.284 1
1 388 . 12 1 1 A 38 38 GLU H H 38 8.114 8.542 -0.428 1
1 389 . 12 1 1 A 38 38 GLU CA C 38 56.517 54.835 1.682 1
1 390 . 12 1 1 A 38 38 GLU HA H 38 4.258 5.077 -0.819 1
1 391 . 12 1 1 A 38 38 GLU CB C 38 30.505 32.927 -2.422 1
1 395 . 12 1 1 A 38 38 GLU C C 38 176.260 175.278 0.982 1
1 398 . 12 1 1 A 39 39 ARG N N 39 123.108 118.238 4.870 1
1 399 . 12 1 1 A 39 39 ARG H H 39 8.347 8.930 -0.583 1
1 400 . 12 1 1 A 39 39 ARG CA C 39 53.836 53.853 -0.017 1
1 401 . 12 1 1 A 39 39 ARG HA H 39 4.641 4.966 -0.325 1
1 402 . 12 1 1 A 39 39 ARG CB C 39 30.295 33.539 -3.244 1
1 408 . 12 1 1 A 39 39 ARG C C 39 174.196 174.246 -0.050 1
1 412 . 12 1 1 A 40 40 PRO CA C 40 63.247 62.353 0.894 1
1 413 . 12 1 1 A 40 40 PRO HA H 40 4.475 4.740 -0.265 1
1 414 . 12 1 1 A 40 40 PRO CB C 40 32.174 33.274 -1.100 1
1 423 . 12 1 1 A 41 41 SER N N 41 116.362 111.923 4.439 1
1 424 . 12 1 1 A 41 41 SER H H 41 8.471 8.310 0.161 1
1 425 . 12 1 1 A 41 41 SER CA C 41 58.579 57.381 1.198 1
1 426 . 12 1 1 A 41 41 SER HA H 41 4.503 4.737 -0.234 1
1 427 . 12 1 1 A 41 41 SER CB C 41 63.945 62.909 1.036 1
1 430 . 12 1 1 A 42 42 GLY CA C 42 44.665 43.758 0.907 1
1 431 . 12 1 1 A 42 42 GLY HA3 H 42 4.158 4.175 -0.017 1
1 432 . 12 1 1 A 42 42 GLY HA2 H 42 4.116 4.175 -0.059 1
1 433 . 12 1 1 A 43 43 PRO CA C 43 63.255 62.456 0.799 1
1 434 . 12 1 1 A 43 43 PRO HA H 43 4.474 4.731 -0.257 1
1 435 . 12 1 1 A 43 43 PRO CB C 43 32.218 31.190 1.028 1
1 444 . 12 1 1 A 45 45 SER CA C 45 58.342 58.979 -0.637 1
1 445 . 12 1 1 A 45 45 SER HA H 45 4.495 4.113 0.382 1
1 446 . 12 1 1 A 45 45 SER CB C 45 63.915 61.309 2.606 1
1 447 . 12 1 1 A 45 45 SER C C 45 173.905 174.575 -0.670 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.450 46.145 -0.695 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.030 4.084 -0.054 1
1 3 . 13 1 1 A 7 7 GLY HA2 H 7 4.030 4.084 -0.054 1
1 4 . 13 1 1 A 8 8 THR N N 8 112.777 117.990 -5.213 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.142 8.284 -0.142 1
1 6 . 13 1 1 A 8 8 THR CA C 8 61.874 63.148 -1.274 1
1 7 . 13 1 1 A 8 8 THR HA H 8 4.374 4.249 0.125 1
1 8 . 13 1 1 A 8 8 THR CB C 8 69.838 68.489 1.349 1
1 14 . 13 1 1 A 8 8 THR C C 8 174.631 175.207 -0.576 1
1 15 . 13 1 1 A 9 9 GLY N N 9 110.604 114.762 -4.158 1
1 16 . 13 1 1 A 9 9 GLY H H 9 8.219 8.646 -0.427 1
1 17 . 13 1 1 A 9 9 GLY CA C 9 45.339 45.991 -0.652 1
1 18 . 13 1 1 A 9 9 GLY HA3 H 9 3.974 4.159 -0.185 1
1 19 . 13 1 1 A 9 9 GLY C C 9 173.976 174.145 -0.169 1
1 20 . 13 1 1 A 9 9 GLY HA2 H 9 3.929 4.157 -0.228 1
1 21 . 13 1 1 A 10 10 GLU N N 10 120.077 119.995 0.082 1
1 22 . 13 1 1 A 10 10 GLU H H 10 8.193 7.929 0.264 1
1 23 . 13 1 1 A 10 10 GLU CA C 10 56.334 55.860 0.474 1
1 24 . 13 1 1 A 10 10 GLU HA H 10 4.257 4.462 -0.205 1
1 25 . 13 1 1 A 10 10 GLU CB C 10 30.542 29.558 0.984 1
1 29 . 13 1 1 A 10 10 GLU C C 10 175.869 175.502 0.367 1
1 32 . 13 1 1 A 11 11 ASN N N 11 120.072 118.651 1.421 1
1 33 . 13 1 1 A 11 11 ASN H H 11 8.365 7.541 0.824 1
1 34 . 13 1 1 A 11 11 ASN CA C 11 51.358 51.474 -0.116 1
1 35 . 13 1 1 A 11 11 ASN HA H 11 4.872 4.822 0.050 1
1 36 . 13 1 1 A 11 11 ASN CB C 11 39.215 38.027 1.188 1
1 41 . 13 1 1 A 11 11 ASN C C 11 173.417 175.306 -1.889 1
1 43 . 13 1 1 A 12 12 PRO CA C 12 63.071 64.468 -1.397 1
1 44 . 13 1 1 A 12 12 PRO HA H 12 4.304 4.046 0.258 1
1 45 . 13 1 1 A 12 12 PRO CB C 12 32.343 31.891 0.452 1
1 51 . 13 1 1 A 12 12 PRO C C 12 175.981 175.945 0.036 1
1 55 . 13 1 1 A 13 13 PHE N N 13 119.314 115.859 3.455 1
1 56 . 13 1 1 A 13 13 PHE H H 13 8.292 7.446 0.846 1
1 57 . 13 1 1 A 13 13 PHE CA C 13 57.055 56.574 0.481 1
1 58 . 13 1 1 A 13 13 PHE HA H 13 4.705 5.104 -0.399 1
1 59 . 13 1 1 A 13 13 PHE CB C 13 39.402 43.665 -4.263 1
1 71 . 13 1 1 A 13 13 PHE C C 13 174.054 174.067 -0.013 1
1 73 . 13 1 1 A 14 14 ILE N N 14 122.850 120.815 2.035 1
1 74 . 13 1 1 A 14 14 ILE H H 14 8.311 8.755 -0.444 1
1 75 . 13 1 1 A 14 14 ILE CA C 14 59.824 59.468 0.356 1
1 76 . 13 1 1 A 14 14 ILE HA H 14 4.848 5.270 -0.422 1
1 77 . 13 1 1 A 14 14 ILE CB C 14 41.237 41.973 -0.736 1
1 89 . 13 1 1 A 14 14 ILE C C 14 175.774 174.932 0.842 1
1 91 . 13 1 1 A 15 15 CYS N N 15 129.055 125.782 3.273 1
1 92 . 13 1 1 A 15 15 CYS H H 15 9.276 8.997 0.279 1
1 93 . 13 1 1 A 15 15 CYS CA C 15 59.920 57.714 2.206 1
1 94 . 13 1 1 A 15 15 CYS HA H 15 4.586 4.777 -0.191 1
1 95 . 13 1 1 A 15 15 CYS CB C 15 29.432 27.370 2.062 1
1 97 . 13 1 1 A 15 15 CYS C C 15 177.331 174.870 2.461 1
1 99 . 13 1 1 A 16 16 SER N N 16 114.664 123.116 -8.452 1
1 100 . 13 1 1 A 16 16 SER H H 16 9.283 8.569 0.714 1
1 101 . 13 1 1 A 16 16 SER CA C 16 61.085 61.215 -0.130 1
1 102 . 13 1 1 A 16 16 SER HA H 16 4.215 4.117 0.098 1
1 103 . 13 1 1 A 16 16 SER CB C 16 63.030 62.751 0.279 1
1 105 . 13 1 1 A 16 16 SER C C 16 174.495 176.610 -2.115 1
1 107 . 13 1 1 A 17 17 GLU N N 17 122.474 120.926 1.548 1
1 108 . 13 1 1 A 17 17 GLU H H 17 8.603 8.019 0.584 1
1 109 . 13 1 1 A 17 17 GLU CA C 17 58.006 58.732 -0.726 1
1 110 . 13 1 1 A 17 17 GLU HA H 17 4.251 3.956 0.295 1
1 111 . 13 1 1 A 17 17 GLU CB C 17 29.542 29.607 -0.065 1
1 115 . 13 1 1 A 17 17 GLU C C 17 177.153 178.074 -0.921 1
1 118 . 13 1 1 A 18 18 CYS N N 18 114.558 115.163 -0.605 1
1 119 . 13 1 1 A 18 18 CYS H H 18 7.882 7.656 0.226 1
1 120 . 13 1 1 A 18 18 CYS CA C 18 58.430 59.736 -1.306 1
1 121 . 13 1 1 A 18 18 CYS HA H 18 5.183 4.637 0.546 1
1 122 . 13 1 1 A 18 18 CYS CB C 18 32.630 29.688 2.942 1
1 124 . 13 1 1 A 18 18 CYS C C 18 176.361 175.343 1.018 1
1 126 . 13 1 1 A 19 19 GLY N N 19 113.615 110.081 3.534 1
1 127 . 13 1 1 A 19 19 GLY H H 19 8.332 7.954 0.378 1
1 128 . 13 1 1 A 19 19 GLY CA C 19 46.106 45.039 1.067 1
1 129 . 13 1 1 A 19 19 GLY HA3 H 19 3.733 4.113 -0.380 1
1 130 . 13 1 1 A 19 19 GLY C C 19 173.422 174.273 -0.851 1
1 131 . 13 1 1 A 19 19 GLY HA2 H 19 4.186 4.099 0.087 1
1 132 . 13 1 1 A 20 20 LYS N N 20 122.607 119.850 2.757 1
1 133 . 13 1 1 A 20 20 LYS H H 20 7.917 7.276 0.641 1
1 134 . 13 1 1 A 20 20 LYS CA C 20 58.336 55.684 2.652 1
1 135 . 13 1 1 A 20 20 LYS HA H 20 3.994 4.346 -0.352 1
1 136 . 13 1 1 A 20 20 LYS CB C 20 33.765 33.539 0.226 1
1 144 . 13 1 1 A 20 20 LYS C C 20 174.018 175.273 -1.255 1
1 149 . 13 1 1 A 21 21 VAL N N 21 119.988 121.454 -1.466 1
1 150 . 13 1 1 A 21 21 VAL H H 21 7.622 8.080 -0.458 1
1 151 . 13 1 1 A 21 21 VAL CA C 21 61.260 61.060 0.200 1
1 152 . 13 1 1 A 21 21 VAL HA H 21 4.565 5.289 -0.724 1
1 153 . 13 1 1 A 21 21 VAL CB C 21 33.625 34.330 -0.705 1
1 163 . 13 1 1 A 21 21 VAL C C 21 175.348 174.790 0.558 1
1 164 . 13 1 1 A 22 22 PHE N N 22 122.931 125.468 -2.537 1
1 165 . 13 1 1 A 22 22 PHE H H 22 8.909 8.872 0.037 1
1 166 . 13 1 1 A 22 22 PHE CA C 22 57.177 56.443 0.734 1
1 167 . 13 1 1 A 22 22 PHE HA H 22 4.774 4.946 -0.172 1
1 168 . 13 1 1 A 22 22 PHE CB C 22 42.896 42.364 0.532 1
1 180 . 13 1 1 A 22 22 PHE C C 22 175.213 176.076 -0.863 1
1 182 . 13 1 1 A 23 23 THR N N 23 113.904 116.933 -3.029 1
1 183 . 13 1 1 A 23 23 THR H H 23 8.911 8.937 -0.026 1
1 184 . 13 1 1 A 23 23 THR CA C 23 63.768 65.714 -1.946 1
1 185 . 13 1 1 A 23 23 THR HA H 23 4.347 4.370 -0.023 1
1 186 . 13 1 1 A 23 23 THR CB C 23 69.464 68.936 0.528 1
1 192 . 13 1 1 A 23 23 THR C C 23 174.304 174.972 -0.668 1
1 193 . 13 1 1 A 24 24 HIS N N 24 118.243 119.888 -1.645 1
1 194 . 13 1 1 A 24 24 HIS H H 24 7.673 8.056 -0.383 1
1 195 . 13 1 1 A 24 24 HIS CA C 24 55.567 54.761 0.806 1
1 196 . 13 1 1 A 24 24 HIS HA H 24 4.801 4.934 -0.133 1
1 197 . 13 1 1 A 24 24 HIS CB C 24 33.368 31.744 1.624 1
1 203 . 13 1 1 A 24 24 HIS C C 24 175.494 175.446 0.048 1
1 205 . 13 1 1 A 25 25 LYS N N 25 127.606 125.131 2.475 1
1 206 . 13 1 1 A 25 25 LYS H H 25 8.431 8.442 -0.011 1
1 207 . 13 1 1 A 25 25 LYS CA C 25 59.580 59.748 -0.168 1
1 208 . 13 1 1 A 25 25 LYS HA H 25 2.970 2.938 0.032 1
1 209 . 13 1 1 A 25 25 LYS CB C 25 31.932 31.418 0.514 1
1 216 . 13 1 1 A 25 25 LYS C C 25 178.019 178.024 -0.005 1
1 221 . 13 1 1 A 26 26 THR N N 26 111.783 115.979 -4.196 1
1 222 . 13 1 1 A 26 26 THR H H 26 8.670 8.099 0.571 1
1 223 . 13 1 1 A 26 26 THR CA C 26 65.774 67.028 -1.254 1
1 224 . 13 1 1 A 26 26 THR HA H 26 3.753 3.773 -0.020 1
1 225 . 13 1 1 A 26 26 THR CB C 26 68.322 68.373 -0.051 1
1 231 . 13 1 1 A 26 26 THR C C 26 176.052 176.387 -0.335 1
1 232 . 13 1 1 A 27 27 ASN N N 27 116.833 119.366 -2.533 1
1 233 . 13 1 1 A 27 27 ASN H H 27 6.988 8.284 -1.296 1
1 234 . 13 1 1 A 27 27 ASN CA C 27 55.638 56.625 -0.987 1
1 235 . 13 1 1 A 27 27 ASN HA H 27 4.441 4.485 -0.044 1
1 236 . 13 1 1 A 27 27 ASN CB C 27 38.215 38.248 -0.033 1
1 241 . 13 1 1 A 27 27 ASN C C 27 177.347 177.686 -0.339 1
1 243 . 13 1 1 A 28 28 LEU N N 28 122.994 120.347 2.647 1
1 244 . 13 1 1 A 28 28 LEU H H 28 6.999 7.309 -0.310 1
1 245 . 13 1 1 A 28 28 LEU CA C 28 57.966 57.825 0.141 1
1 246 . 13 1 1 A 28 28 LEU HA H 28 2.973 2.614 0.359 1
1 247 . 13 1 1 A 28 28 LEU CB C 28 40.441 41.656 -1.215 1
1 259 . 13 1 1 A 28 28 LEU C C 28 177.008 178.549 -1.541 1
1 261 . 13 1 1 A 29 29 ILE N N 29 119.568 119.360 0.208 1
1 262 . 13 1 1 A 29 29 ILE H H 29 7.936 7.810 0.126 1
1 263 . 13 1 1 A 29 29 ILE CA C 29 64.632 65.238 -0.606 1
1 264 . 13 1 1 A 29 29 ILE HA H 29 3.709 3.517 0.192 1
1 265 . 13 1 1 A 29 29 ILE CB C 29 37.474 37.845 -0.371 1
1 277 . 13 1 1 A 29 29 ILE C C 29 179.171 177.963 1.208 1
1 279 . 13 1 1 A 30 30 ILE N N 30 119.207 120.242 -1.035 1
1 280 . 13 1 1 A 30 30 ILE H H 30 7.589 7.906 -0.317 1
1 281 . 13 1 1 A 30 30 ILE CA C 30 64.891 64.765 0.126 1
1 282 . 13 1 1 A 30 30 ILE HA H 30 3.617 3.555 0.062 1
1 283 . 13 1 1 A 30 30 ILE CB C 30 38.513 37.327 1.186 1
1 295 . 13 1 1 A 30 30 ILE C C 30 178.757 178.669 0.088 1
1 297 . 13 1 1 A 31 31 HIS N N 31 119.828 120.119 -0.291 1
1 298 . 13 1 1 A 31 31 HIS H H 31 7.534 7.946 -0.412 1
1 299 . 13 1 1 A 31 31 HIS CA C 31 59.278 59.544 -0.266 1
1 300 . 13 1 1 A 31 31 HIS HA H 31 4.193 4.148 0.045 1
1 301 . 13 1 1 A 31 31 HIS CB C 31 28.635 29.631 -0.996 1
1 307 . 13 1 1 A 31 31 HIS C C 31 176.316 176.888 -0.572 1
1 309 . 13 1 1 A 32 32 GLN N N 32 115.270 117.394 -2.124 1
1 310 . 13 1 1 A 32 32 GLN H H 32 8.431 8.444 -0.013 1
1 311 . 13 1 1 A 32 32 GLN CA C 32 59.504 59.015 0.489 1
1 312 . 13 1 1 A 32 32 GLN HA H 32 3.661 3.865 -0.204 1
1 313 . 13 1 1 A 32 32 GLN CB C 32 28.316 28.372 -0.056 1
1 320 . 13 1 1 A 32 32 GLN C C 32 177.585 178.451 -0.866 1
1 323 . 13 1 1 A 33 33 LYS N N 33 117.874 119.729 -1.855 1
1 324 . 13 1 1 A 33 33 LYS H H 33 7.208 7.632 -0.424 1
1 325 . 13 1 1 A 33 33 LYS CA C 33 58.591 59.054 -0.463 1
1 326 . 13 1 1 A 33 33 LYS HA H 33 4.110 3.945 0.165 1
1 327 . 13 1 1 A 33 33 LYS CB C 33 32.257 32.386 -0.129 1
1 335 . 13 1 1 A 33 33 LYS C C 33 178.936 179.109 -0.173 1
1 340 . 13 1 1 A 34 34 ILE N N 34 116.468 117.378 -0.910 1
1 341 . 13 1 1 A 34 34 ILE H H 34 7.885 7.984 -0.099 1
1 342 . 13 1 1 A 34 34 ILE CA C 34 63.144 63.986 -0.842 1
1 343 . 13 1 1 A 34 34 ILE HA H 34 3.968 3.734 0.234 1
1 344 . 13 1 1 A 34 34 ILE CB C 34 37.733 37.256 0.477 1
1 356 . 13 1 1 A 34 34 ILE C C 34 177.569 177.456 0.113 1
1 358 . 13 1 1 A 35 35 HIS N N 35 117.615 120.621 -3.006 1
1 359 . 13 1 1 A 35 35 HIS H H 35 7.189 7.790 -0.601 1
1 360 . 13 1 1 A 35 35 HIS CA C 35 55.293 59.689 -4.396 1
1 361 . 13 1 1 A 35 35 HIS HA H 35 4.851 4.330 0.521 1
1 362 . 13 1 1 A 35 35 HIS CB C 35 28.494 31.219 -2.725 1
1 368 . 13 1 1 A 35 35 HIS C C 35 175.810 177.079 -1.269 1
1 370 . 13 1 1 A 36 36 THR N N 36 111.886 111.669 0.217 1
1 371 . 13 1 1 A 36 36 THR H H 36 7.768 7.941 -0.173 1
1 372 . 13 1 1 A 36 36 THR CA C 36 62.648 62.986 -0.338 1
1 373 . 13 1 1 A 36 36 THR HA H 36 4.341 4.307 0.034 1
1 374 . 13 1 1 A 36 36 THR CB C 36 69.832 69.543 0.289 1
1 380 . 13 1 1 A 36 36 THR C C 36 175.433 174.753 0.680 1
1 381 . 13 1 1 A 37 37 GLY N N 37 110.507 110.493 0.014 1
1 382 . 13 1 1 A 37 37 GLY H H 37 8.214 7.928 0.286 1
1 383 . 13 1 1 A 37 37 GLY CA C 37 45.365 46.611 -1.246 1
1 384 . 13 1 1 A 37 37 GLY HA3 H 37 4.013 3.921 0.092 1
1 385 . 13 1 1 A 37 37 GLY C C 37 174.057 174.699 -0.642 1
1 386 . 13 1 1 A 37 37 GLY HA2 H 37 3.972 3.906 0.066 1
1 387 . 13 1 1 A 38 38 GLU N N 38 120.478 120.575 -0.097 1
1 388 . 13 1 1 A 38 38 GLU H H 38 8.114 7.366 0.748 1
1 389 . 13 1 1 A 38 38 GLU CA C 38 56.517 55.694 0.823 1
1 390 . 13 1 1 A 38 38 GLU HA H 38 4.258 4.558 -0.300 1
1 391 . 13 1 1 A 38 38 GLU CB C 38 30.505 30.771 -0.266 1
1 395 . 13 1 1 A 38 38 GLU C C 38 176.260 175.861 0.399 1
1 398 . 13 1 1 A 39 39 ARG N N 39 123.108 124.547 -1.439 1
1 399 . 13 1 1 A 39 39 ARG H H 39 8.347 8.925 -0.578 1
1 400 . 13 1 1 A 39 39 ARG CA C 39 53.836 53.791 0.045 1
1 401 . 13 1 1 A 39 39 ARG HA H 39 4.641 4.947 -0.306 1
1 402 . 13 1 1 A 39 39 ARG CB C 39 30.295 33.463 -3.168 1
1 408 . 13 1 1 A 39 39 ARG C C 39 174.196 173.221 0.975 1
1 412 . 13 1 1 A 40 40 PRO CA C 40 63.247 62.742 0.505 1
1 413 . 13 1 1 A 40 40 PRO HA H 40 4.475 4.717 -0.242 1
1 414 . 13 1 1 A 40 40 PRO CB C 40 32.174 31.514 0.660 1
1 423 . 13 1 1 A 41 41 SER N N 41 116.362 115.363 0.999 1
1 424 . 13 1 1 A 41 41 SER H H 41 8.471 8.545 -0.074 1
1 425 . 13 1 1 A 41 41 SER CA C 41 58.579 58.455 0.124 1
1 426 . 13 1 1 A 41 41 SER HA H 41 4.503 4.922 -0.419 1
1 427 . 13 1 1 A 41 41 SER CB C 41 63.945 63.941 0.004 1
1 430 . 13 1 1 A 42 42 GLY CA C 42 44.665 44.352 0.313 1
1 431 . 13 1 1 A 42 42 GLY HA3 H 42 4.158 4.102 0.056 1
1 432 . 13 1 1 A 42 42 GLY HA2 H 42 4.116 4.102 0.014 1
1 433 . 13 1 1 A 43 43 PRO CA C 43 63.255 62.627 0.628 1
1 434 . 13 1 1 A 43 43 PRO HA H 43 4.474 4.595 -0.121 1
1 435 . 13 1 1 A 43 43 PRO CB C 43 32.218 33.074 -0.856 1
1 444 . 13 1 1 A 45 45 SER CA C 45 58.342 57.796 0.546 1
1 445 . 13 1 1 A 45 45 SER HA H 45 4.495 4.600 -0.105 1
1 446 . 13 1 1 A 45 45 SER CB C 45 63.915 63.247 0.668 1
1 447 . 13 1 1 A 45 45 SER C C 45 173.905 175.056 -1.151 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.450 46.108 -0.658 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.030 4.007 0.023 1
1 3 . 14 1 1 A 7 7 GLY HA2 H 7 4.030 4.007 0.023 1
1 4 . 14 1 1 A 8 8 THR N N 8 112.777 116.218 -3.441 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.142 7.889 0.253 1
1 6 . 14 1 1 A 8 8 THR CA C 8 61.874 62.518 -0.644 1
1 7 . 14 1 1 A 8 8 THR HA H 8 4.374 4.294 0.080 1
1 8 . 14 1 1 A 8 8 THR CB C 8 69.838 68.973 0.865 1
1 14 . 14 1 1 A 8 8 THR C C 8 174.631 174.065 0.566 1
1 15 . 14 1 1 A 9 9 GLY N N 9 110.604 112.572 -1.968 1
1 16 . 14 1 1 A 9 9 GLY H H 9 8.219 8.420 -0.201 1
1 17 . 14 1 1 A 9 9 GLY CA C 9 45.339 46.036 -0.697 1
1 18 . 14 1 1 A 9 9 GLY HA3 H 9 3.974 4.055 -0.081 1
1 19 . 14 1 1 A 9 9 GLY C C 9 173.976 173.906 0.070 1
1 20 . 14 1 1 A 9 9 GLY HA2 H 9 3.929 4.054 -0.125 1
1 21 . 14 1 1 A 10 10 GLU N N 10 120.077 121.557 -1.480 1
1 22 . 14 1 1 A 10 10 GLU H H 10 8.193 7.995 0.198 1
1 23 . 14 1 1 A 10 10 GLU CA C 10 56.334 56.360 -0.026 1
1 24 . 14 1 1 A 10 10 GLU HA H 10 4.257 4.341 -0.084 1
1 25 . 14 1 1 A 10 10 GLU CB C 10 30.542 30.630 -0.088 1
1 29 . 14 1 1 A 10 10 GLU C C 10 175.869 175.966 -0.097 1
1 32 . 14 1 1 A 11 11 ASN N N 11 120.072 124.771 -4.699 1
1 33 . 14 1 1 A 11 11 ASN H H 11 8.365 8.185 0.180 1
1 34 . 14 1 1 A 11 11 ASN CA C 11 51.358 49.927 1.431 1
1 35 . 14 1 1 A 11 11 ASN HA H 11 4.872 5.214 -0.342 1
1 36 . 14 1 1 A 11 11 ASN CB C 11 39.215 41.232 -2.017 1
1 41 . 14 1 1 A 11 11 ASN C C 11 173.417 175.092 -1.675 1
1 43 . 14 1 1 A 12 12 PRO CA C 12 63.071 64.474 -1.403 1
1 44 . 14 1 1 A 12 12 PRO HA H 12 4.304 4.041 0.263 1
1 45 . 14 1 1 A 12 12 PRO CB C 12 32.343 31.888 0.455 1
1 51 . 14 1 1 A 12 12 PRO C C 12 175.981 175.751 0.230 1
1 55 . 14 1 1 A 13 13 PHE N N 13 119.314 115.972 3.342 1
1 56 . 14 1 1 A 13 13 PHE H H 13 8.292 7.466 0.826 1
1 57 . 14 1 1 A 13 13 PHE CA C 13 57.055 56.455 0.600 1
1 58 . 14 1 1 A 13 13 PHE HA H 13 4.705 5.090 -0.385 1
1 59 . 14 1 1 A 13 13 PHE CB C 13 39.402 43.313 -3.911 1
1 71 . 14 1 1 A 13 13 PHE C C 13 174.054 174.094 -0.040 1
1 73 . 14 1 1 A 14 14 ILE N N 14 122.850 120.598 2.252 1
1 74 . 14 1 1 A 14 14 ILE H H 14 8.311 8.522 -0.211 1
1 75 . 14 1 1 A 14 14 ILE CA C 14 59.824 59.595 0.229 1
1 76 . 14 1 1 A 14 14 ILE HA H 14 4.848 5.015 -0.167 1
1 77 . 14 1 1 A 14 14 ILE CB C 14 41.237 41.709 -0.472 1
1 89 . 14 1 1 A 14 14 ILE C C 14 175.774 174.520 1.254 1
1 91 . 14 1 1 A 15 15 CYS N N 15 129.055 126.043 3.012 1
1 92 . 14 1 1 A 15 15 CYS H H 15 9.276 8.452 0.824 1
1 93 . 14 1 1 A 15 15 CYS CA C 15 59.920 58.001 1.919 1
1 94 . 14 1 1 A 15 15 CYS HA H 15 4.586 4.948 -0.362 1
1 95 . 14 1 1 A 15 15 CYS CB C 15 29.432 30.041 -0.609 1
1 97 . 14 1 1 A 15 15 CYS C C 15 177.331 175.728 1.603 1
1 99 . 14 1 1 A 16 16 SER N N 16 114.664 123.038 -8.374 1
1 100 . 14 1 1 A 16 16 SER H H 16 9.283 9.051 0.232 1
1 101 . 14 1 1 A 16 16 SER CA C 16 61.085 58.186 2.899 1
1 102 . 14 1 1 A 16 16 SER HA H 16 4.215 4.643 -0.428 1
1 103 . 14 1 1 A 16 16 SER CB C 16 63.030 62.713 0.317 1
1 105 . 14 1 1 A 16 16 SER C C 16 174.495 175.220 -0.725 1
1 107 . 14 1 1 A 17 17 GLU N N 17 122.474 121.775 0.699 1
1 108 . 14 1 1 A 17 17 GLU H H 17 8.603 8.110 0.493 1
1 109 . 14 1 1 A 17 17 GLU CA C 17 58.006 57.297 0.709 1
1 110 . 14 1 1 A 17 17 GLU HA H 17 4.251 4.437 -0.186 1
1 111 . 14 1 1 A 17 17 GLU CB C 17 29.542 32.171 -2.629 1
1 115 . 14 1 1 A 17 17 GLU C C 17 177.153 177.743 -0.590 1
1 118 . 14 1 1 A 18 18 CYS N N 18 114.558 114.676 -0.118 1
1 119 . 14 1 1 A 18 18 CYS H H 18 7.882 8.141 -0.259 1
1 120 . 14 1 1 A 18 18 CYS CA C 18 58.430 59.711 -1.281 1
1 121 . 14 1 1 A 18 18 CYS HA H 18 5.183 4.666 0.517 1
1 122 . 14 1 1 A 18 18 CYS CB C 18 32.630 30.099 2.531 1
1 124 . 14 1 1 A 18 18 CYS C C 18 176.361 175.632 0.729 1
1 126 . 14 1 1 A 19 19 GLY N N 19 113.615 110.397 3.218 1
1 127 . 14 1 1 A 19 19 GLY H H 19 8.332 8.296 0.036 1
1 128 . 14 1 1 A 19 19 GLY CA C 19 46.106 45.449 0.657 1
1 129 . 14 1 1 A 19 19 GLY HA3 H 19 3.733 4.089 -0.356 1
1 130 . 14 1 1 A 19 19 GLY C C 19 173.422 174.437 -1.015 1
1 131 . 14 1 1 A 19 19 GLY HA2 H 19 4.186 4.068 0.118 1
1 132 . 14 1 1 A 20 20 LYS N N 20 122.607 120.966 1.641 1
1 133 . 14 1 1 A 20 20 LYS H H 20 7.917 7.805 0.112 1
1 134 . 14 1 1 A 20 20 LYS CA C 20 58.336 54.827 3.509 1
1 135 . 14 1 1 A 20 20 LYS HA H 20 3.994 4.572 -0.578 1
1 136 . 14 1 1 A 20 20 LYS CB C 20 33.765 34.093 -0.328 1
1 144 . 14 1 1 A 20 20 LYS C C 20 174.018 175.331 -1.313 1
1 149 . 14 1 1 A 21 21 VAL N N 21 119.988 125.095 -5.107 1
1 150 . 14 1 1 A 21 21 VAL H H 21 7.622 8.312 -0.690 1
1 151 . 14 1 1 A 21 21 VAL CA C 21 61.260 61.199 0.061 1
1 152 . 14 1 1 A 21 21 VAL HA H 21 4.565 4.719 -0.154 1
1 153 . 14 1 1 A 21 21 VAL CB C 21 33.625 32.624 1.001 1
1 163 . 14 1 1 A 21 21 VAL C C 21 175.348 174.666 0.682 1
1 164 . 14 1 1 A 22 22 PHE N N 22 122.931 125.564 -2.633 1
1 165 . 14 1 1 A 22 22 PHE H H 22 8.909 8.702 0.207 1
1 166 . 14 1 1 A 22 22 PHE CA C 22 57.177 56.305 0.872 1
1 167 . 14 1 1 A 22 22 PHE HA H 22 4.774 4.921 -0.147 1
1 168 . 14 1 1 A 22 22 PHE CB C 22 42.896 42.429 0.467 1
1 180 . 14 1 1 A 22 22 PHE C C 22 175.213 176.086 -0.873 1
1 182 . 14 1 1 A 23 23 THR N N 23 113.904 116.889 -2.985 1
1 183 . 14 1 1 A 23 23 THR H H 23 8.911 8.771 0.140 1
1 184 . 14 1 1 A 23 23 THR CA C 23 63.768 65.627 -1.859 1
1 185 . 14 1 1 A 23 23 THR HA H 23 4.347 4.415 -0.068 1
1 186 . 14 1 1 A 23 23 THR CB C 23 69.464 69.116 0.348 1
1 192 . 14 1 1 A 23 23 THR C C 23 174.304 174.830 -0.526 1
1 193 . 14 1 1 A 24 24 HIS N N 24 118.243 119.997 -1.754 1
1 194 . 14 1 1 A 24 24 HIS H H 24 7.673 8.075 -0.402 1
1 195 . 14 1 1 A 24 24 HIS CA C 24 55.567 54.620 0.947 1
1 196 . 14 1 1 A 24 24 HIS HA H 24 4.801 4.875 -0.074 1
1 197 . 14 1 1 A 24 24 HIS CB C 24 33.368 31.929 1.439 1
1 203 . 14 1 1 A 24 24 HIS C C 24 175.494 174.753 0.741 1
1 205 . 14 1 1 A 25 25 LYS N N 25 127.606 124.742 2.864 1
1 206 . 14 1 1 A 25 25 LYS H H 25 8.431 8.132 0.299 1
1 207 . 14 1 1 A 25 25 LYS CA C 25 59.580 59.534 0.046 1
1 208 . 14 1 1 A 25 25 LYS HA H 25 2.970 2.883 0.087 1
1 209 . 14 1 1 A 25 25 LYS CB C 25 31.932 31.388 0.544 1
1 216 . 14 1 1 A 25 25 LYS C C 25 178.019 177.981 0.038 1
1 221 . 14 1 1 A 26 26 THR N N 26 111.783 117.201 -5.418 1
1 222 . 14 1 1 A 26 26 THR H H 26 8.670 7.674 0.996 1
1 223 . 14 1 1 A 26 26 THR CA C 26 65.774 67.262 -1.488 1
1 224 . 14 1 1 A 26 26 THR HA H 26 3.753 3.801 -0.048 1
1 225 . 14 1 1 A 26 26 THR CB C 26 68.322 67.963 0.359 1
1 231 . 14 1 1 A 26 26 THR C C 26 176.052 176.368 -0.316 1
1 232 . 14 1 1 A 27 27 ASN N N 27 116.833 119.770 -2.937 1
1 233 . 14 1 1 A 27 27 ASN H H 27 6.988 8.179 -1.191 1
1 234 . 14 1 1 A 27 27 ASN CA C 27 55.638 56.346 -0.708 1
1 235 . 14 1 1 A 27 27 ASN HA H 27 4.441 4.486 -0.045 1
1 236 . 14 1 1 A 27 27 ASN CB C 27 38.215 38.214 0.001 1
1 241 . 14 1 1 A 27 27 ASN C C 27 177.347 177.782 -0.435 1
1 243 . 14 1 1 A 28 28 LEU N N 28 122.994 120.513 2.481 1
1 244 . 14 1 1 A 28 28 LEU H H 28 6.999 7.265 -0.266 1
1 245 . 14 1 1 A 28 28 LEU CA C 28 57.966 57.590 0.376 1
1 246 . 14 1 1 A 28 28 LEU HA H 28 2.973 2.652 0.321 1
1 247 . 14 1 1 A 28 28 LEU CB C 28 40.441 41.016 -0.575 1
1 259 . 14 1 1 A 28 28 LEU C C 28 177.008 178.109 -1.101 1
1 261 . 14 1 1 A 29 29 ILE N N 29 119.568 119.067 0.501 1
1 262 . 14 1 1 A 29 29 ILE H H 29 7.936 7.637 0.299 1
1 263 . 14 1 1 A 29 29 ILE CA C 29 64.632 65.071 -0.439 1
1 264 . 14 1 1 A 29 29 ILE HA H 29 3.709 3.699 0.010 1
1 265 . 14 1 1 A 29 29 ILE CB C 29 37.474 37.587 -0.113 1
1 277 . 14 1 1 A 29 29 ILE C C 29 179.171 178.490 0.681 1
1 279 . 14 1 1 A 30 30 ILE N N 30 119.207 120.979 -1.772 1
1 280 . 14 1 1 A 30 30 ILE H H 30 7.589 7.972 -0.383 1
1 281 . 14 1 1 A 30 30 ILE CA C 30 64.891 64.468 0.423 1
1 282 . 14 1 1 A 30 30 ILE HA H 30 3.617 3.662 -0.045 1
1 283 . 14 1 1 A 30 30 ILE CB C 30 38.513 36.945 1.568 1
1 295 . 14 1 1 A 30 30 ILE C C 30 178.757 178.348 0.409 1
1 297 . 14 1 1 A 31 31 HIS N N 31 119.828 120.265 -0.437 1
1 298 . 14 1 1 A 31 31 HIS H H 31 7.534 7.964 -0.430 1
1 299 . 14 1 1 A 31 31 HIS CA C 31 59.278 59.700 -0.422 1
1 300 . 14 1 1 A 31 31 HIS HA H 31 4.193 4.106 0.087 1
1 301 . 14 1 1 A 31 31 HIS CB C 31 28.635 29.593 -0.958 1
1 307 . 14 1 1 A 31 31 HIS C C 31 176.316 176.614 -0.298 1
1 309 . 14 1 1 A 32 32 GLN N N 32 115.270 117.054 -1.784 1
1 310 . 14 1 1 A 32 32 GLN H H 32 8.431 8.248 0.183 1
1 311 . 14 1 1 A 32 32 GLN CA C 32 59.504 58.968 0.536 1
1 312 . 14 1 1 A 32 32 GLN HA H 32 3.661 3.766 -0.105 1
1 313 . 14 1 1 A 32 32 GLN CB C 32 28.316 28.387 -0.071 1
1 320 . 14 1 1 A 32 32 GLN C C 32 177.585 178.402 -0.817 1
1 323 . 14 1 1 A 33 33 LYS N N 33 117.874 119.457 -1.583 1
1 324 . 14 1 1 A 33 33 LYS H H 33 7.208 8.058 -0.850 1
1 325 . 14 1 1 A 33 33 LYS CA C 33 58.591 59.004 -0.413 1
1 326 . 14 1 1 A 33 33 LYS HA H 33 4.110 3.930 0.180 1
1 327 . 14 1 1 A 33 33 LYS CB C 33 32.257 32.315 -0.058 1
1 335 . 14 1 1 A 33 33 LYS C C 33 178.936 179.152 -0.216 1
1 340 . 14 1 1 A 34 34 ILE N N 34 116.468 117.123 -0.655 1
1 341 . 14 1 1 A 34 34 ILE H H 34 7.885 8.020 -0.135 1
1 342 . 14 1 1 A 34 34 ILE CA C 34 63.144 63.929 -0.785 1
1 343 . 14 1 1 A 34 34 ILE HA H 34 3.968 3.757 0.211 1
1 344 . 14 1 1 A 34 34 ILE CB C 34 37.733 37.264 0.469 1
1 356 . 14 1 1 A 34 34 ILE C C 34 177.569 177.451 0.118 1
1 358 . 14 1 1 A 35 35 HIS N N 35 117.615 119.549 -1.934 1
1 359 . 14 1 1 A 35 35 HIS H H 35 7.189 7.713 -0.524 1
1 360 . 14 1 1 A 35 35 HIS CA C 35 55.293 59.191 -3.898 1
1 361 . 14 1 1 A 35 35 HIS HA H 35 4.851 4.338 0.513 1
1 362 . 14 1 1 A 35 35 HIS CB C 35 28.494 31.140 -2.646 1
1 368 . 14 1 1 A 35 35 HIS C C 35 175.810 175.751 0.059 1
1 370 . 14 1 1 A 36 36 THR N N 36 111.886 112.889 -1.003 1
1 371 . 14 1 1 A 36 36 THR H H 36 7.768 8.367 -0.599 1
1 372 . 14 1 1 A 36 36 THR CA C 36 62.648 60.601 2.047 1
1 373 . 14 1 1 A 36 36 THR HA H 36 4.341 4.590 -0.249 1
1 374 . 14 1 1 A 36 36 THR CB C 36 69.832 71.106 -1.274 1
1 380 . 14 1 1 A 36 36 THR C C 36 175.433 174.632 0.801 1
1 381 . 14 1 1 A 37 37 GLY N N 37 110.507 115.739 -5.232 1
1 382 . 14 1 1 A 37 37 GLY H H 37 8.214 8.728 -0.514 1
1 383 . 14 1 1 A 37 37 GLY CA C 37 45.365 46.464 -1.099 1
1 384 . 14 1 1 A 37 37 GLY HA3 H 37 4.013 3.946 0.067 1
1 385 . 14 1 1 A 37 37 GLY C C 37 174.057 174.068 -0.011 1
1 386 . 14 1 1 A 37 37 GLY HA2 H 37 3.972 3.939 0.033 1
1 387 . 14 1 1 A 38 38 GLU N N 38 120.478 119.766 0.712 1
1 388 . 14 1 1 A 38 38 GLU H H 38 8.114 7.903 0.211 1
1 389 . 14 1 1 A 38 38 GLU CA C 38 56.517 54.671 1.846 1
1 390 . 14 1 1 A 38 38 GLU HA H 38 4.258 4.723 -0.465 1
1 391 . 14 1 1 A 38 38 GLU CB C 38 30.505 32.603 -2.098 1
1 395 . 14 1 1 A 38 38 GLU C C 38 176.260 175.931 0.329 1
1 398 . 14 1 1 A 39 39 ARG N N 39 123.108 126.362 -3.254 1
1 399 . 14 1 1 A 39 39 ARG H H 39 8.347 8.968 -0.621 1
1 400 . 14 1 1 A 39 39 ARG CA C 39 53.836 56.989 -3.153 1
1 401 . 14 1 1 A 39 39 ARG HA H 39 4.641 3.985 0.656 1
1 402 . 14 1 1 A 39 39 ARG CB C 39 30.295 28.893 1.402 1
1 408 . 14 1 1 A 39 39 ARG C C 39 174.196 174.950 -0.754 1
1 412 . 14 1 1 A 40 40 PRO CA C 40 63.247 62.451 0.796 1
1 413 . 14 1 1 A 40 40 PRO HA H 40 4.475 4.561 -0.086 1
1 414 . 14 1 1 A 40 40 PRO CB C 40 32.174 32.862 -0.688 1
1 423 . 14 1 1 A 41 41 SER N N 41 116.362 116.708 -0.346 1
1 424 . 14 1 1 A 41 41 SER H H 41 8.471 8.457 0.014 1
1 425 . 14 1 1 A 41 41 SER CA C 41 58.579 57.479 1.100 1
1 426 . 14 1 1 A 41 41 SER HA H 41 4.503 5.010 -0.507 1
1 427 . 14 1 1 A 41 41 SER CB C 41 63.945 64.430 -0.485 1
1 430 . 14 1 1 A 42 42 GLY CA C 42 44.665 43.794 0.871 1
1 431 . 14 1 1 A 42 42 GLY HA3 H 42 4.158 4.248 -0.090 1
1 432 . 14 1 1 A 42 42 GLY HA2 H 42 4.116 4.248 -0.132 1
1 433 . 14 1 1 A 43 43 PRO CA C 43 63.255 63.663 -0.408 1
1 434 . 14 1 1 A 43 43 PRO HA H 43 4.474 4.521 -0.047 1
1 435 . 14 1 1 A 43 43 PRO CB C 43 32.218 31.841 0.377 1
1 444 . 14 1 1 A 45 45 SER CA C 45 58.342 61.135 -2.793 1
1 445 . 14 1 1 A 45 45 SER HA H 45 4.495 4.199 0.296 1
1 446 . 14 1 1 A 45 45 SER CB C 45 63.915 62.964 0.951 1
1 447 . 14 1 1 A 45 45 SER C C 45 173.905 176.817 -2.912 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.450 45.836 -0.386 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.030 4.105 -0.075 1
1 3 . 15 1 1 A 7 7 GLY HA2 H 7 4.030 4.104 -0.074 1
1 4 . 15 1 1 A 8 8 THR N N 8 112.777 112.289 0.488 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.142 7.574 0.568 1
1 6 . 15 1 1 A 8 8 THR CA C 8 61.874 61.001 0.873 1
1 7 . 15 1 1 A 8 8 THR HA H 8 4.374 4.616 -0.242 1
1 8 . 15 1 1 A 8 8 THR CB C 8 69.838 70.928 -1.090 1
1 14 . 15 1 1 A 8 8 THR C C 8 174.631 172.602 2.029 1
1 15 . 15 1 1 A 9 9 GLY N N 9 110.604 112.740 -2.136 1
1 16 . 15 1 1 A 9 9 GLY H H 9 8.219 8.402 -0.183 1
1 17 . 15 1 1 A 9 9 GLY CA C 9 45.339 45.741 -0.402 1
1 18 . 15 1 1 A 9 9 GLY HA3 H 9 3.974 4.183 -0.209 1
1 19 . 15 1 1 A 9 9 GLY C C 9 173.976 174.435 -0.459 1
1 20 . 15 1 1 A 9 9 GLY HA2 H 9 3.929 4.180 -0.251 1
1 21 . 15 1 1 A 10 10 GLU N N 10 120.077 119.748 0.329 1
1 22 . 15 1 1 A 10 10 GLU H H 10 8.193 8.065 0.128 1
1 23 . 15 1 1 A 10 10 GLU CA C 10 56.334 55.465 0.869 1
1 24 . 15 1 1 A 10 10 GLU HA H 10 4.257 4.545 -0.288 1
1 25 . 15 1 1 A 10 10 GLU CB C 10 30.542 29.572 0.970 1
1 29 . 15 1 1 A 10 10 GLU C C 10 175.869 175.421 0.448 1
1 32 . 15 1 1 A 11 11 ASN N N 11 120.072 115.327 4.745 1
1 33 . 15 1 1 A 11 11 ASN H H 11 8.365 7.535 0.830 1
1 34 . 15 1 1 A 11 11 ASN CA C 11 51.358 50.844 0.514 1
1 35 . 15 1 1 A 11 11 ASN HA H 11 4.872 5.064 -0.192 1
1 36 . 15 1 1 A 11 11 ASN CB C 11 39.215 41.132 -1.917 1
1 41 . 15 1 1 A 11 11 ASN C C 11 173.417 175.041 -1.624 1
1 43 . 15 1 1 A 12 12 PRO CA C 12 63.071 64.769 -1.698 1
1 44 . 15 1 1 A 12 12 PRO HA H 12 4.304 4.293 0.011 1
1 45 . 15 1 1 A 12 12 PRO CB C 12 32.343 32.042 0.301 1
1 51 . 15 1 1 A 12 12 PRO C C 12 175.981 176.343 -0.362 1
1 55 . 15 1 1 A 13 13 PHE N N 13 119.314 116.210 3.104 1
1 56 . 15 1 1 A 13 13 PHE H H 13 8.292 7.658 0.634 1
1 57 . 15 1 1 A 13 13 PHE CA C 13 57.055 56.215 0.840 1
1 58 . 15 1 1 A 13 13 PHE HA H 13 4.705 5.284 -0.579 1
1 59 . 15 1 1 A 13 13 PHE CB C 13 39.402 43.581 -4.179 1
1 71 . 15 1 1 A 13 13 PHE C C 13 174.054 174.375 -0.321 1
1 73 . 15 1 1 A 14 14 ILE N N 14 122.850 120.606 2.244 1
1 74 . 15 1 1 A 14 14 ILE H H 14 8.311 8.873 -0.562 1
1 75 . 15 1 1 A 14 14 ILE CA C 14 59.824 59.587 0.237 1
1 76 . 15 1 1 A 14 14 ILE HA H 14 4.848 5.156 -0.308 1
1 77 . 15 1 1 A 14 14 ILE CB C 14 41.237 42.191 -0.954 1
1 89 . 15 1 1 A 14 14 ILE C C 14 175.774 174.879 0.895 1
1 91 . 15 1 1 A 15 15 CYS N N 15 129.055 126.755 2.300 1
1 92 . 15 1 1 A 15 15 CYS H H 15 9.276 9.044 0.232 1
1 93 . 15 1 1 A 15 15 CYS CA C 15 59.920 58.864 1.056 1
1 94 . 15 1 1 A 15 15 CYS HA H 15 4.586 4.691 -0.105 1
1 95 . 15 1 1 A 15 15 CYS CB C 15 29.432 28.541 0.891 1
1 97 . 15 1 1 A 15 15 CYS C C 15 177.331 176.118 1.213 1
1 99 . 15 1 1 A 16 16 SER N N 16 114.664 123.056 -8.392 1
1 100 . 15 1 1 A 16 16 SER H H 16 9.283 8.861 0.422 1
1 101 . 15 1 1 A 16 16 SER CA C 16 61.085 58.400 2.685 1
1 102 . 15 1 1 A 16 16 SER HA H 16 4.215 4.727 -0.512 1
1 103 . 15 1 1 A 16 16 SER CB C 16 63.030 63.413 -0.383 1
1 105 . 15 1 1 A 16 16 SER C C 16 174.495 174.615 -0.120 1
1 107 . 15 1 1 A 17 17 GLU N N 17 122.474 119.485 2.989 1
1 108 . 15 1 1 A 17 17 GLU H H 17 8.603 7.940 0.663 1
1 109 . 15 1 1 A 17 17 GLU CA C 17 58.006 57.087 0.919 1
1 110 . 15 1 1 A 17 17 GLU HA H 17 4.251 4.393 -0.142 1
1 111 . 15 1 1 A 17 17 GLU CB C 17 29.542 31.744 -2.202 1
1 115 . 15 1 1 A 17 17 GLU C C 17 177.153 177.559 -0.406 1
1 118 . 15 1 1 A 18 18 CYS N N 18 114.558 114.925 -0.367 1
1 119 . 15 1 1 A 18 18 CYS H H 18 7.882 8.087 -0.205 1
1 120 . 15 1 1 A 18 18 CYS CA C 18 58.430 59.721 -1.291 1
1 121 . 15 1 1 A 18 18 CYS HA H 18 5.183 4.629 0.554 1
1 122 . 15 1 1 A 18 18 CYS CB C 18 32.630 29.829 2.801 1
1 124 . 15 1 1 A 18 18 CYS C C 18 176.361 175.433 0.928 1
1 126 . 15 1 1 A 19 19 GLY N N 19 113.615 109.924 3.691 1
1 127 . 15 1 1 A 19 19 GLY H H 19 8.332 8.137 0.195 1
1 128 . 15 1 1 A 19 19 GLY CA C 19 46.106 45.375 0.731 1
1 129 . 15 1 1 A 19 19 GLY HA3 H 19 3.733 4.083 -0.350 1
1 130 . 15 1 1 A 19 19 GLY C C 19 173.422 174.330 -0.908 1
1 131 . 15 1 1 A 19 19 GLY HA2 H 19 4.186 4.071 0.115 1
1 132 . 15 1 1 A 20 20 LYS N N 20 122.607 120.725 1.882 1
1 133 . 15 1 1 A 20 20 LYS H H 20 7.917 7.792 0.125 1
1 134 . 15 1 1 A 20 20 LYS CA C 20 58.336 54.777 3.559 1
1 135 . 15 1 1 A 20 20 LYS HA H 20 3.994 4.695 -0.701 1
1 136 . 15 1 1 A 20 20 LYS CB C 20 33.765 35.055 -1.290 1
1 144 . 15 1 1 A 20 20 LYS C C 20 174.018 174.160 -0.142 1
1 149 . 15 1 1 A 21 21 VAL N N 21 119.988 124.053 -4.065 1
1 150 . 15 1 1 A 21 21 VAL H H 21 7.622 8.577 -0.955 1
1 151 . 15 1 1 A 21 21 VAL CA C 21 61.260 59.634 1.626 1
1 152 . 15 1 1 A 21 21 VAL HA H 21 4.565 5.453 -0.888 1
1 153 . 15 1 1 A 21 21 VAL CB C 21 33.625 34.557 -0.932 1
1 163 . 15 1 1 A 21 21 VAL C C 21 175.348 173.586 1.762 1
1 164 . 15 1 1 A 22 22 PHE N N 22 122.931 125.536 -2.605 1
1 165 . 15 1 1 A 22 22 PHE H H 22 8.909 8.641 0.268 1
1 166 . 15 1 1 A 22 22 PHE CA C 22 57.177 56.706 0.471 1
1 167 . 15 1 1 A 22 22 PHE HA H 22 4.774 4.856 -0.082 1
1 168 . 15 1 1 A 22 22 PHE CB C 22 42.896 42.694 0.202 1
1 180 . 15 1 1 A 22 22 PHE C C 22 175.213 175.912 -0.699 1
1 182 . 15 1 1 A 23 23 THR N N 23 113.904 116.670 -2.766 1
1 183 . 15 1 1 A 23 23 THR H H 23 8.911 8.860 0.051 1
1 184 . 15 1 1 A 23 23 THR CA C 23 63.768 65.717 -1.949 1
1 185 . 15 1 1 A 23 23 THR HA H 23 4.347 4.368 -0.021 1
1 186 . 15 1 1 A 23 23 THR CB C 23 69.464 69.106 0.358 1
1 192 . 15 1 1 A 23 23 THR C C 23 174.304 174.675 -0.371 1
1 193 . 15 1 1 A 24 24 HIS N N 24 118.243 120.276 -2.033 1
1 194 . 15 1 1 A 24 24 HIS H H 24 7.673 8.023 -0.350 1
1 195 . 15 1 1 A 24 24 HIS CA C 24 55.567 55.097 0.470 1
1 196 . 15 1 1 A 24 24 HIS HA H 24 4.801 4.818 -0.017 1
1 197 . 15 1 1 A 24 24 HIS CB C 24 33.368 31.394 1.974 1
1 203 . 15 1 1 A 24 24 HIS C C 24 175.494 175.283 0.211 1
1 205 . 15 1 1 A 25 25 LYS N N 25 127.606 124.903 2.703 1
1 206 . 15 1 1 A 25 25 LYS H H 25 8.431 8.366 0.065 1
1 207 . 15 1 1 A 25 25 LYS CA C 25 59.580 59.816 -0.236 1
1 208 . 15 1 1 A 25 25 LYS HA H 25 2.970 2.919 0.051 1
1 209 . 15 1 1 A 25 25 LYS CB C 25 31.932 31.478 0.454 1
1 216 . 15 1 1 A 25 25 LYS C C 25 178.019 177.994 0.025 1
1 221 . 15 1 1 A 26 26 THR N N 26 111.783 117.209 -5.426 1
1 222 . 15 1 1 A 26 26 THR H H 26 8.670 7.774 0.896 1
1 223 . 15 1 1 A 26 26 THR CA C 26 65.774 67.371 -1.597 1
1 224 . 15 1 1 A 26 26 THR HA H 26 3.753 3.797 -0.044 1
1 225 . 15 1 1 A 26 26 THR CB C 26 68.322 68.127 0.195 1
1 231 . 15 1 1 A 26 26 THR C C 26 176.052 176.501 -0.449 1
1 232 . 15 1 1 A 27 27 ASN N N 27 116.833 119.473 -2.640 1
1 233 . 15 1 1 A 27 27 ASN H H 27 6.988 8.426 -1.438 1
1 234 . 15 1 1 A 27 27 ASN CA C 27 55.638 56.658 -1.020 1
1 235 . 15 1 1 A 27 27 ASN HA H 27 4.441 4.435 0.006 1
1 236 . 15 1 1 A 27 27 ASN CB C 27 38.215 38.199 0.016 1
1 241 . 15 1 1 A 27 27 ASN C C 27 177.347 177.676 -0.329 1
1 243 . 15 1 1 A 28 28 LEU N N 28 122.994 118.841 4.153 1
1 244 . 15 1 1 A 28 28 LEU H H 28 6.999 7.082 -0.083 1
1 245 . 15 1 1 A 28 28 LEU CA C 28 57.966 56.944 1.022 1
1 246 . 15 1 1 A 28 28 LEU HA H 28 2.973 2.811 0.162 1
1 247 . 15 1 1 A 28 28 LEU CB C 28 40.441 41.367 -0.926 1
1 259 . 15 1 1 A 28 28 LEU C C 28 177.008 178.262 -1.254 1
1 261 . 15 1 1 A 29 29 ILE N N 29 119.568 119.840 -0.272 1
1 262 . 15 1 1 A 29 29 ILE H H 29 7.936 7.743 0.193 1
1 263 . 15 1 1 A 29 29 ILE CA C 29 64.632 65.320 -0.688 1
1 264 . 15 1 1 A 29 29 ILE HA H 29 3.709 3.508 0.201 1
1 265 . 15 1 1 A 29 29 ILE CB C 29 37.474 37.848 -0.374 1
1 277 . 15 1 1 A 29 29 ILE C C 29 179.171 178.009 1.162 1
1 279 . 15 1 1 A 30 30 ILE N N 30 119.207 120.423 -1.216 1
1 280 . 15 1 1 A 30 30 ILE H H 30 7.589 8.203 -0.614 1
1 281 . 15 1 1 A 30 30 ILE CA C 30 64.891 64.514 0.377 1
1 282 . 15 1 1 A 30 30 ILE HA H 30 3.617 3.592 0.025 1
1 283 . 15 1 1 A 30 30 ILE CB C 30 38.513 37.104 1.409 1
1 295 . 15 1 1 A 30 30 ILE C C 30 178.757 178.312 0.445 1
1 297 . 15 1 1 A 31 31 HIS N N 31 119.828 120.545 -0.717 1
1 298 . 15 1 1 A 31 31 HIS H H 31 7.534 7.585 -0.051 1
1 299 . 15 1 1 A 31 31 HIS CA C 31 59.278 59.752 -0.474 1
1 300 . 15 1 1 A 31 31 HIS HA H 31 4.193 4.114 0.079 1
1 301 . 15 1 1 A 31 31 HIS CB C 31 28.635 29.918 -1.283 1
1 307 . 15 1 1 A 31 31 HIS C C 31 176.316 177.562 -1.246 1
1 309 . 15 1 1 A 32 32 GLN N N 32 115.270 118.140 -2.870 1
1 310 . 15 1 1 A 32 32 GLN H H 32 8.431 8.511 -0.080 1
1 311 . 15 1 1 A 32 32 GLN CA C 32 59.504 59.092 0.412 1
1 312 . 15 1 1 A 32 32 GLN HA H 32 3.661 3.979 -0.318 1
1 313 . 15 1 1 A 32 32 GLN CB C 32 28.316 28.342 -0.026 1
1 320 . 15 1 1 A 32 32 GLN C C 32 177.585 178.699 -1.114 1
1 323 . 15 1 1 A 33 33 LYS N N 33 117.874 119.084 -1.210 1
1 324 . 15 1 1 A 33 33 LYS H H 33 7.208 7.921 -0.713 1
1 325 . 15 1 1 A 33 33 LYS CA C 33 58.591 58.362 0.229 1
1 326 . 15 1 1 A 33 33 LYS HA H 33 4.110 3.995 0.115 1
1 327 . 15 1 1 A 33 33 LYS CB C 33 32.257 31.919 0.338 1
1 335 . 15 1 1 A 33 33 LYS C C 33 178.936 178.812 0.124 1
1 340 . 15 1 1 A 34 34 ILE N N 34 116.468 115.076 1.392 1
1 341 . 15 1 1 A 34 34 ILE H H 34 7.885 7.789 0.096 1
1 342 . 15 1 1 A 34 34 ILE CA C 34 63.144 62.740 0.404 1
1 343 . 15 1 1 A 34 34 ILE HA H 34 3.968 3.833 0.135 1
1 344 . 15 1 1 A 34 34 ILE CB C 34 37.733 37.083 0.650 1
1 356 . 15 1 1 A 34 34 ILE C C 34 177.569 176.253 1.316 1
1 358 . 15 1 1 A 35 35 HIS N N 35 117.615 120.027 -2.412 1
1 359 . 15 1 1 A 35 35 HIS H H 35 7.189 8.093 -0.904 1
1 360 . 15 1 1 A 35 35 HIS CA C 35 55.293 55.440 -0.147 1
1 361 . 15 1 1 A 35 35 HIS HA H 35 4.851 4.802 0.049 1
1 362 . 15 1 1 A 35 35 HIS CB C 35 28.494 29.899 -1.405 1
1 368 . 15 1 1 A 35 35 HIS C C 35 175.810 175.368 0.442 1
1 370 . 15 1 1 A 36 36 THR N N 36 111.886 109.967 1.919 1
1 371 . 15 1 1 A 36 36 THR H H 36 7.768 7.639 0.129 1
1 372 . 15 1 1 A 36 36 THR CA C 36 62.648 60.589 2.059 1
1 373 . 15 1 1 A 36 36 THR HA H 36 4.341 4.648 -0.307 1
1 374 . 15 1 1 A 36 36 THR CB C 36 69.832 68.366 1.466 1
1 380 . 15 1 1 A 36 36 THR C C 36 175.433 175.573 -0.140 1
1 381 . 15 1 1 A 37 37 GLY N N 37 110.507 111.489 -0.982 1
1 382 . 15 1 1 A 37 37 GLY H H 37 8.214 8.403 -0.189 1
1 383 . 15 1 1 A 37 37 GLY CA C 37 45.365 46.710 -1.345 1
1 384 . 15 1 1 A 37 37 GLY HA3 H 37 4.013 3.843 0.170 1
1 385 . 15 1 1 A 37 37 GLY C C 37 174.057 175.186 -1.129 1
1 386 . 15 1 1 A 37 37 GLY HA2 H 37 3.972 3.841 0.131 1
1 387 . 15 1 1 A 38 38 GLU N N 38 120.478 119.459 1.019 1
1 388 . 15 1 1 A 38 38 GLU H H 38 8.114 7.967 0.147 1
1 389 . 15 1 1 A 38 38 GLU CA C 38 56.517 57.844 -1.327 1
1 390 . 15 1 1 A 38 38 GLU HA H 38 4.258 4.307 -0.049 1
1 391 . 15 1 1 A 38 38 GLU CB C 38 30.505 30.546 -0.041 1
1 395 . 15 1 1 A 38 38 GLU C C 38 176.260 176.298 -0.038 1
1 398 . 15 1 1 A 39 39 ARG N N 39 123.108 123.626 -0.518 1
1 399 . 15 1 1 A 39 39 ARG H H 39 8.347 8.377 -0.030 1
1 400 . 15 1 1 A 39 39 ARG CA C 39 53.836 54.053 -0.217 1
1 401 . 15 1 1 A 39 39 ARG HA H 39 4.641 4.712 -0.071 1
1 402 . 15 1 1 A 39 39 ARG CB C 39 30.295 33.483 -3.188 1
1 408 . 15 1 1 A 39 39 ARG C C 39 174.196 173.747 0.449 1
1 412 . 15 1 1 A 40 40 PRO CA C 40 63.247 62.642 0.605 1
1 413 . 15 1 1 A 40 40 PRO HA H 40 4.475 4.719 -0.244 1
1 414 . 15 1 1 A 40 40 PRO CB C 40 32.174 32.132 0.042 1
1 423 . 15 1 1 A 41 41 SER N N 41 116.362 117.712 -1.350 1
1 424 . 15 1 1 A 41 41 SER H H 41 8.471 8.656 -0.185 1
1 425 . 15 1 1 A 41 41 SER CA C 41 58.579 56.987 1.592 1
1 426 . 15 1 1 A 41 41 SER HA H 41 4.503 4.769 -0.266 1
1 427 . 15 1 1 A 41 41 SER CB C 41 63.945 63.941 0.004 1
1 430 . 15 1 1 A 42 42 GLY CA C 42 44.665 44.044 0.621 1
1 431 . 15 1 1 A 42 42 GLY HA3 H 42 4.158 4.067 0.091 1
1 432 . 15 1 1 A 42 42 GLY HA2 H 42 4.116 4.067 0.049 1
1 433 . 15 1 1 A 43 43 PRO CA C 43 63.255 64.245 -0.990 1
1 434 . 15 1 1 A 43 43 PRO HA H 43 4.474 4.490 -0.016 1
1 435 . 15 1 1 A 43 43 PRO CB C 43 32.218 31.670 0.548 1
1 444 . 15 1 1 A 45 45 SER CA C 45 58.342 59.437 -1.095 1
1 445 . 15 1 1 A 45 45 SER HA H 45 4.495 4.361 0.134 1
1 446 . 15 1 1 A 45 45 SER CB C 45 63.915 63.240 0.675 1
1 447 . 15 1 1 A 45 45 SER C C 45 173.905 174.786 -0.881 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.450 45.819 -0.369 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.030 4.202 -0.172 1
1 3 . 16 1 1 A 7 7 GLY HA2 H 7 4.030 4.200 -0.170 1
1 4 . 16 1 1 A 8 8 THR N N 8 112.777 117.049 -4.272 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.142 8.589 -0.447 1
1 6 . 16 1 1 A 8 8 THR CA C 8 61.874 59.281 2.593 1
1 7 . 16 1 1 A 8 8 THR HA H 8 4.374 5.219 -0.845 1
1 8 . 16 1 1 A 8 8 THR CB C 8 69.838 71.798 -1.960 1
1 14 . 16 1 1 A 8 8 THR C C 8 174.631 173.004 1.627 1
1 15 . 16 1 1 A 9 9 GLY N N 9 110.604 111.403 -0.799 1
1 16 . 16 1 1 A 9 9 GLY H H 9 8.219 8.494 -0.275 1
1 17 . 16 1 1 A 9 9 GLY CA C 9 45.339 45.560 -0.221 1
1 18 . 16 1 1 A 9 9 GLY HA3 H 9 3.974 4.159 -0.185 1
1 19 . 16 1 1 A 9 9 GLY C C 9 173.976 171.856 2.120 1
1 20 . 16 1 1 A 9 9 GLY HA2 H 9 3.929 4.158 -0.229 1
1 21 . 16 1 1 A 10 10 GLU N N 10 120.077 120.193 -0.116 1
1 22 . 16 1 1 A 10 10 GLU H H 10 8.193 8.424 -0.231 1
1 23 . 16 1 1 A 10 10 GLU CA C 10 56.334 55.951 0.383 1
1 24 . 16 1 1 A 10 10 GLU HA H 10 4.257 4.480 -0.223 1
1 25 . 16 1 1 A 10 10 GLU CB C 10 30.542 29.054 1.488 1
1 29 . 16 1 1 A 10 10 GLU C C 10 175.869 175.232 0.637 1
1 32 . 16 1 1 A 11 11 ASN N N 11 120.072 124.349 -4.277 1
1 33 . 16 1 1 A 11 11 ASN H H 11 8.365 7.770 0.595 1
1 34 . 16 1 1 A 11 11 ASN CA C 11 51.358 49.817 1.541 1
1 35 . 16 1 1 A 11 11 ASN HA H 11 4.872 5.175 -0.303 1
1 36 . 16 1 1 A 11 11 ASN CB C 11 39.215 39.448 -0.233 1
1 41 . 16 1 1 A 11 11 ASN C C 11 173.417 175.058 -1.641 1
1 43 . 16 1 1 A 12 12 PRO CA C 12 63.071 64.500 -1.429 1
1 44 . 16 1 1 A 12 12 PRO HA H 12 4.304 4.085 0.219 1
1 45 . 16 1 1 A 12 12 PRO CB C 12 32.343 31.833 0.510 1
1 51 . 16 1 1 A 12 12 PRO C C 12 175.981 175.993 -0.012 1
1 55 . 16 1 1 A 13 13 PHE N N 13 119.314 115.591 3.723 1
1 56 . 16 1 1 A 13 13 PHE H H 13 8.292 7.496 0.796 1
1 57 . 16 1 1 A 13 13 PHE CA C 13 57.055 56.431 0.624 1
1 58 . 16 1 1 A 13 13 PHE HA H 13 4.705 5.193 -0.488 1
1 59 . 16 1 1 A 13 13 PHE CB C 13 39.402 43.175 -3.773 1
1 71 . 16 1 1 A 13 13 PHE C C 13 174.054 174.308 -0.254 1
1 73 . 16 1 1 A 14 14 ILE N N 14 122.850 123.147 -0.297 1
1 74 . 16 1 1 A 14 14 ILE H H 14 8.311 9.136 -0.825 1
1 75 . 16 1 1 A 14 14 ILE CA C 14 59.824 59.636 0.188 1
1 76 . 16 1 1 A 14 14 ILE HA H 14 4.848 5.255 -0.407 1
1 77 . 16 1 1 A 14 14 ILE CB C 14 41.237 41.127 0.110 1
1 89 . 16 1 1 A 14 14 ILE C C 14 175.774 174.902 0.872 1
1 91 . 16 1 1 A 15 15 CYS N N 15 129.055 125.202 3.853 1
1 92 . 16 1 1 A 15 15 CYS H H 15 9.276 8.323 0.953 1
1 93 . 16 1 1 A 15 15 CYS CA C 15 59.920 57.591 2.329 1
1 94 . 16 1 1 A 15 15 CYS HA H 15 4.586 4.765 -0.179 1
1 95 . 16 1 1 A 15 15 CYS CB C 15 29.432 27.325 2.107 1
1 97 . 16 1 1 A 15 15 CYS C C 15 177.331 175.105 2.226 1
1 99 . 16 1 1 A 16 16 SER N N 16 114.664 121.740 -7.076 1
1 100 . 16 1 1 A 16 16 SER H H 16 9.283 8.156 1.127 1
1 101 . 16 1 1 A 16 16 SER CA C 16 61.085 61.816 -0.731 1
1 102 . 16 1 1 A 16 16 SER HA H 16 4.215 4.067 0.148 1
1 103 . 16 1 1 A 16 16 SER CB C 16 63.030 63.076 -0.046 1
1 105 . 16 1 1 A 16 16 SER C C 16 174.495 176.737 -2.242 1
1 107 . 16 1 1 A 17 17 GLU N N 17 122.474 121.024 1.450 1
1 108 . 16 1 1 A 17 17 GLU H H 17 8.603 8.379 0.224 1
1 109 . 16 1 1 A 17 17 GLU CA C 17 58.006 59.114 -1.108 1
1 110 . 16 1 1 A 17 17 GLU HA H 17 4.251 3.932 0.319 1
1 111 . 16 1 1 A 17 17 GLU CB C 17 29.542 28.819 0.723 1
1 115 . 16 1 1 A 17 17 GLU C C 17 177.153 178.315 -1.162 1
1 118 . 16 1 1 A 18 18 CYS N N 18 114.558 114.970 -0.412 1
1 119 . 16 1 1 A 18 18 CYS H H 18 7.882 7.919 -0.037 1
1 120 . 16 1 1 A 18 18 CYS CA C 18 58.430 59.793 -1.363 1
1 121 . 16 1 1 A 18 18 CYS HA H 18 5.183 4.577 0.606 1
1 122 . 16 1 1 A 18 18 CYS CB C 18 32.630 29.304 3.326 1
1 124 . 16 1 1 A 18 18 CYS C C 18 176.361 175.235 1.126 1
1 126 . 16 1 1 A 19 19 GLY N N 19 113.615 110.071 3.544 1
1 127 . 16 1 1 A 19 19 GLY H H 19 8.332 7.915 0.417 1
1 128 . 16 1 1 A 19 19 GLY CA C 19 46.106 45.334 0.772 1
1 129 . 16 1 1 A 19 19 GLY HA3 H 19 3.733 4.083 -0.350 1
1 130 . 16 1 1 A 19 19 GLY C C 19 173.422 174.315 -0.893 1
1 131 . 16 1 1 A 19 19 GLY HA2 H 19 4.186 4.066 0.120 1
1 132 . 16 1 1 A 20 20 LYS N N 20 122.607 120.979 1.628 1
1 133 . 16 1 1 A 20 20 LYS H H 20 7.917 7.752 0.165 1
1 134 . 16 1 1 A 20 20 LYS CA C 20 58.336 54.718 3.618 1
1 135 . 16 1 1 A 20 20 LYS HA H 20 3.994 4.533 -0.539 1
1 136 . 16 1 1 A 20 20 LYS CB C 20 33.765 34.078 -0.313 1
1 144 . 16 1 1 A 20 20 LYS C C 20 174.018 174.965 -0.947 1
1 149 . 16 1 1 A 21 21 VAL N N 21 119.988 126.141 -6.153 1
1 150 . 16 1 1 A 21 21 VAL H H 21 7.622 8.501 -0.879 1
1 151 . 16 1 1 A 21 21 VAL CA C 21 61.260 60.613 0.647 1
1 152 . 16 1 1 A 21 21 VAL HA H 21 4.565 4.900 -0.335 1
1 153 . 16 1 1 A 21 21 VAL CB C 21 33.625 33.212 0.413 1
1 163 . 16 1 1 A 21 21 VAL C C 21 175.348 173.680 1.668 1
1 164 . 16 1 1 A 22 22 PHE N N 22 122.931 126.760 -3.829 1
1 165 . 16 1 1 A 22 22 PHE H H 22 8.909 9.076 -0.167 1
1 166 . 16 1 1 A 22 22 PHE CA C 22 57.177 55.988 1.189 1
1 167 . 16 1 1 A 22 22 PHE HA H 22 4.774 4.959 -0.185 1
1 168 . 16 1 1 A 22 22 PHE CB C 22 42.896 41.717 1.179 1
1 180 . 16 1 1 A 22 22 PHE C C 22 175.213 176.353 -1.140 1
1 182 . 16 1 1 A 23 23 THR N N 23 113.904 116.800 -2.896 1
1 183 . 16 1 1 A 23 23 THR H H 23 8.911 8.796 0.115 1
1 184 . 16 1 1 A 23 23 THR CA C 23 63.768 64.135 -0.367 1
1 185 . 16 1 1 A 23 23 THR HA H 23 4.347 4.315 0.032 1
1 186 . 16 1 1 A 23 23 THR CB C 23 69.464 69.056 0.408 1
1 192 . 16 1 1 A 23 23 THR C C 23 174.304 174.631 -0.327 1
1 193 . 16 1 1 A 24 24 HIS N N 24 118.243 117.392 0.851 1
1 194 . 16 1 1 A 24 24 HIS H H 24 7.673 7.923 -0.250 1
1 195 . 16 1 1 A 24 24 HIS CA C 24 55.567 54.102 1.465 1
1 196 . 16 1 1 A 24 24 HIS HA H 24 4.801 4.877 -0.076 1
1 197 . 16 1 1 A 24 24 HIS CB C 24 33.368 32.388 0.980 1
1 203 . 16 1 1 A 24 24 HIS C C 24 175.494 175.104 0.390 1
1 205 . 16 1 1 A 25 25 LYS N N 25 127.606 122.114 5.492 1
1 206 . 16 1 1 A 25 25 LYS H H 25 8.431 8.543 -0.112 1
1 207 . 16 1 1 A 25 25 LYS CA C 25 59.580 59.533 0.047 1
1 208 . 16 1 1 A 25 25 LYS HA H 25 2.970 3.264 -0.294 1
1 209 . 16 1 1 A 25 25 LYS CB C 25 31.932 31.593 0.339 1
1 216 . 16 1 1 A 25 25 LYS C C 25 178.019 178.020 -0.001 1
1 221 . 16 1 1 A 26 26 THR N N 26 111.783 114.629 -2.846 1
1 222 . 16 1 1 A 26 26 THR H H 26 8.670 7.827 0.843 1
1 223 . 16 1 1 A 26 26 THR CA C 26 65.774 66.283 -0.509 1
1 224 . 16 1 1 A 26 26 THR HA H 26 3.753 3.731 0.022 1
1 225 . 16 1 1 A 26 26 THR CB C 26 68.322 68.343 -0.021 1
1 231 . 16 1 1 A 26 26 THR C C 26 176.052 176.275 -0.223 1
1 232 . 16 1 1 A 27 27 ASN N N 27 116.833 119.115 -2.282 1
1 233 . 16 1 1 A 27 27 ASN H H 27 6.988 7.531 -0.543 1
1 234 . 16 1 1 A 27 27 ASN CA C 27 55.638 56.219 -0.581 1
1 235 . 16 1 1 A 27 27 ASN HA H 27 4.441 4.145 0.296 1
1 236 . 16 1 1 A 27 27 ASN CB C 27 38.215 38.940 -0.725 1
1 241 . 16 1 1 A 27 27 ASN C C 27 177.347 176.777 0.570 1
1 243 . 16 1 1 A 28 28 LEU N N 28 122.994 119.446 3.548 1
1 244 . 16 1 1 A 28 28 LEU H H 28 6.999 7.353 -0.354 1
1 245 . 16 1 1 A 28 28 LEU CA C 28 57.966 57.612 0.354 1
1 246 . 16 1 1 A 28 28 LEU HA H 28 2.973 2.627 0.346 1
1 247 . 16 1 1 A 28 28 LEU CB C 28 40.441 40.968 -0.527 1
1 259 . 16 1 1 A 28 28 LEU C C 28 177.008 177.969 -0.961 1
1 261 . 16 1 1 A 29 29 ILE N N 29 119.568 119.212 0.356 1
1 262 . 16 1 1 A 29 29 ILE H H 29 7.936 8.054 -0.118 1
1 263 . 16 1 1 A 29 29 ILE CA C 29 64.632 64.907 -0.275 1
1 264 . 16 1 1 A 29 29 ILE HA H 29 3.709 3.529 0.180 1
1 265 . 16 1 1 A 29 29 ILE CB C 29 37.474 37.251 0.223 1
1 277 . 16 1 1 A 29 29 ILE C C 29 179.171 178.671 0.500 1
1 279 . 16 1 1 A 30 30 ILE N N 30 119.207 121.676 -2.469 1
1 280 . 16 1 1 A 30 30 ILE H H 30 7.589 7.648 -0.059 1
1 281 . 16 1 1 A 30 30 ILE CA C 30 64.891 63.600 1.291 1
1 282 . 16 1 1 A 30 30 ILE HA H 30 3.617 3.775 -0.158 1
1 283 . 16 1 1 A 30 30 ILE CB C 30 38.513 36.570 1.943 1
1 295 . 16 1 1 A 30 30 ILE C C 30 178.757 178.327 0.430 1
1 297 . 16 1 1 A 31 31 HIS N N 31 119.828 120.227 -0.399 1
1 298 . 16 1 1 A 31 31 HIS H H 31 7.534 8.333 -0.799 1
1 299 . 16 1 1 A 31 31 HIS CA C 31 59.278 59.642 -0.364 1
1 300 . 16 1 1 A 31 31 HIS HA H 31 4.193 4.139 0.054 1
1 301 . 16 1 1 A 31 31 HIS CB C 31 28.635 29.698 -1.063 1
1 307 . 16 1 1 A 31 31 HIS C C 31 176.316 176.839 -0.523 1
1 309 . 16 1 1 A 32 32 GLN N N 32 115.270 117.451 -2.181 1
1 310 . 16 1 1 A 32 32 GLN H H 32 8.431 8.444 -0.013 1
1 311 . 16 1 1 A 32 32 GLN CA C 32 59.504 59.065 0.439 1
1 312 . 16 1 1 A 32 32 GLN HA H 32 3.661 3.942 -0.281 1
1 313 . 16 1 1 A 32 32 GLN CB C 32 28.316 28.403 -0.087 1
1 320 . 16 1 1 A 32 32 GLN C C 32 177.585 178.469 -0.884 1
1 323 . 16 1 1 A 33 33 LYS N N 33 117.874 119.483 -1.609 1
1 324 . 16 1 1 A 33 33 LYS H H 33 7.208 8.079 -0.871 1
1 325 . 16 1 1 A 33 33 LYS CA C 33 58.591 59.011 -0.420 1
1 326 . 16 1 1 A 33 33 LYS HA H 33 4.110 3.943 0.167 1
1 327 . 16 1 1 A 33 33 LYS CB C 33 32.257 32.386 -0.129 1
1 335 . 16 1 1 A 33 33 LYS C C 33 178.936 178.997 -0.061 1
1 340 . 16 1 1 A 34 34 ILE N N 34 116.468 117.118 -0.650 1
1 341 . 16 1 1 A 34 34 ILE H H 34 7.885 8.014 -0.129 1
1 342 . 16 1 1 A 34 34 ILE CA C 34 63.144 63.655 -0.511 1
1 343 . 16 1 1 A 34 34 ILE HA H 34 3.968 3.737 0.231 1
1 344 . 16 1 1 A 34 34 ILE CB C 34 37.733 37.224 0.509 1
1 356 . 16 1 1 A 34 34 ILE C C 34 177.569 177.391 0.178 1
1 358 . 16 1 1 A 35 35 HIS N N 35 117.615 120.360 -2.745 1
1 359 . 16 1 1 A 35 35 HIS H H 35 7.189 7.939 -0.750 1
1 360 . 16 1 1 A 35 35 HIS CA C 35 55.293 59.270 -3.977 1
1 361 . 16 1 1 A 35 35 HIS HA H 35 4.851 4.387 0.464 1
1 362 . 16 1 1 A 35 35 HIS CB C 35 28.494 31.377 -2.883 1
1 368 . 16 1 1 A 35 35 HIS C C 35 175.810 176.517 -0.707 1
1 370 . 16 1 1 A 36 36 THR N N 36 111.886 113.366 -1.480 1
1 371 . 16 1 1 A 36 36 THR H H 36 7.768 8.155 -0.387 1
1 372 . 16 1 1 A 36 36 THR CA C 36 62.648 63.179 -0.531 1
1 373 . 16 1 1 A 36 36 THR HA H 36 4.341 4.260 0.081 1
1 374 . 16 1 1 A 36 36 THR CB C 36 69.832 69.353 0.479 1
1 380 . 16 1 1 A 36 36 THR C C 36 175.433 175.312 0.121 1
1 381 . 16 1 1 A 37 37 GLY N N 37 110.507 108.136 2.371 1
1 382 . 16 1 1 A 37 37 GLY H H 37 8.214 7.803 0.411 1
1 383 . 16 1 1 A 37 37 GLY CA C 37 45.365 45.891 -0.526 1
1 384 . 16 1 1 A 37 37 GLY HA3 H 37 4.013 4.058 -0.045 1
1 385 . 16 1 1 A 37 37 GLY C C 37 174.057 173.417 0.640 1
1 386 . 16 1 1 A 37 37 GLY HA2 H 37 3.972 4.043 -0.071 1
1 387 . 16 1 1 A 38 38 GLU N N 38 120.478 120.094 0.384 1
1 388 . 16 1 1 A 38 38 GLU H H 38 8.114 7.923 0.191 1
1 389 . 16 1 1 A 38 38 GLU CA C 38 56.517 55.900 0.617 1
1 390 . 16 1 1 A 38 38 GLU HA H 38 4.258 4.603 -0.345 1
1 391 . 16 1 1 A 38 38 GLU CB C 38 30.505 30.496 0.009 1
1 395 . 16 1 1 A 38 38 GLU C C 38 176.260 175.838 0.422 1
1 398 . 16 1 1 A 39 39 ARG N N 39 123.108 126.208 -3.100 1
1 399 . 16 1 1 A 39 39 ARG H H 39 8.347 8.477 -0.130 1
1 400 . 16 1 1 A 39 39 ARG CA C 39 53.836 52.313 1.523 1
1 401 . 16 1 1 A 39 39 ARG HA H 39 4.641 4.807 -0.166 1
1 402 . 16 1 1 A 39 39 ARG CB C 39 30.295 31.688 -1.393 1
1 408 . 16 1 1 A 39 39 ARG C C 39 174.196 175.077 -0.881 1
1 412 . 16 1 1 A 40 40 PRO CA C 40 63.247 64.507 -1.260 1
1 413 . 16 1 1 A 40 40 PRO HA H 40 4.475 4.331 0.144 1
1 414 . 16 1 1 A 40 40 PRO CB C 40 32.174 31.953 0.221 1
1 423 . 16 1 1 A 41 41 SER N N 41 116.362 112.644 3.718 1
1 424 . 16 1 1 A 41 41 SER H H 41 8.471 8.200 0.271 1
1 425 . 16 1 1 A 41 41 SER CA C 41 58.579 59.025 -0.446 1
1 426 . 16 1 1 A 41 41 SER HA H 41 4.503 4.124 0.379 1
1 427 . 16 1 1 A 41 41 SER CB C 41 63.945 60.982 2.963 1
1 430 . 16 1 1 A 42 42 GLY CA C 42 44.665 45.832 -1.167 1
1 431 . 16 1 1 A 42 42 GLY HA3 H 42 4.158 4.193 -0.035 1
1 432 . 16 1 1 A 42 42 GLY HA2 H 42 4.116 4.193 -0.077 1
1 433 . 16 1 1 A 43 43 PRO CA C 43 63.255 62.820 0.435 1
1 434 . 16 1 1 A 43 43 PRO HA H 43 4.474 4.632 -0.158 1
1 435 . 16 1 1 A 43 43 PRO CB C 43 32.218 32.184 0.034 1
1 444 . 16 1 1 A 45 45 SER CA C 45 58.342 58.884 -0.542 1
1 445 . 16 1 1 A 45 45 SER HA H 45 4.495 4.143 0.352 1
1 446 . 16 1 1 A 45 45 SER CB C 45 63.915 61.797 2.118 1
1 447 . 16 1 1 A 45 45 SER C C 45 173.905 174.693 -0.788 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.450 47.402 -1.952 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.030 3.787 0.243 1
1 3 . 17 1 1 A 7 7 GLY HA2 H 7 4.030 3.787 0.243 1
1 4 . 17 1 1 A 8 8 THR N N 8 112.777 118.593 -5.816 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.142 8.166 -0.024 1
1 6 . 17 1 1 A 8 8 THR CA C 8 61.874 59.491 2.383 1
1 7 . 17 1 1 A 8 8 THR HA H 8 4.374 5.069 -0.695 1
1 8 . 17 1 1 A 8 8 THR CB C 8 69.838 72.036 -2.198 1
1 14 . 17 1 1 A 8 8 THR C C 8 174.631 172.574 2.057 1
1 15 . 17 1 1 A 9 9 GLY N N 9 110.604 112.399 -1.795 1
1 16 . 17 1 1 A 9 9 GLY H H 9 8.219 8.322 -0.103 1
1 17 . 17 1 1 A 9 9 GLY CA C 9 45.339 45.324 0.015 1
1 18 . 17 1 1 A 9 9 GLY HA3 H 9 3.974 4.422 -0.448 1
1 19 . 17 1 1 A 9 9 GLY C C 9 173.976 172.326 1.650 1
1 20 . 17 1 1 A 9 9 GLY HA2 H 9 3.929 4.422 -0.493 1
1 21 . 17 1 1 A 10 10 GLU N N 10 120.077 117.018 3.059 1
1 22 . 17 1 1 A 10 10 GLU H H 10 8.193 8.929 -0.736 1
1 23 . 17 1 1 A 10 10 GLU CA C 10 56.334 54.644 1.690 1
1 24 . 17 1 1 A 10 10 GLU HA H 10 4.257 5.353 -1.096 1
1 25 . 17 1 1 A 10 10 GLU CB C 10 30.542 33.876 -3.334 1
1 29 . 17 1 1 A 10 10 GLU C C 10 175.869 174.485 1.384 1
1 32 . 17 1 1 A 11 11 ASN N N 11 120.072 117.170 2.902 1
1 33 . 17 1 1 A 11 11 ASN H H 11 8.365 8.463 -0.098 1
1 34 . 17 1 1 A 11 11 ASN CA C 11 51.358 50.892 0.466 1
1 35 . 17 1 1 A 11 11 ASN HA H 11 4.872 5.162 -0.290 1
1 36 . 17 1 1 A 11 11 ASN CB C 11 39.215 41.781 -2.566 1
1 41 . 17 1 1 A 11 11 ASN C C 11 173.417 174.721 -1.304 1
1 43 . 17 1 1 A 12 12 PRO CA C 12 63.071 65.620 -2.549 1
1 44 . 17 1 1 A 12 12 PRO HA H 12 4.304 4.266 0.038 1
1 45 . 17 1 1 A 12 12 PRO CB C 12 32.343 31.484 0.859 1
1 51 . 17 1 1 A 12 12 PRO C C 12 175.981 176.106 -0.125 1
1 55 . 17 1 1 A 13 13 PHE N N 13 119.314 115.614 3.700 1
1 56 . 17 1 1 A 13 13 PHE H H 13 8.292 7.912 0.380 1
1 57 . 17 1 1 A 13 13 PHE CA C 13 57.055 56.681 0.374 1
1 58 . 17 1 1 A 13 13 PHE HA H 13 4.705 5.313 -0.608 1
1 59 . 17 1 1 A 13 13 PHE CB C 13 39.402 42.162 -2.760 1
1 71 . 17 1 1 A 13 13 PHE C C 13 174.054 174.950 -0.896 1
1 73 . 17 1 1 A 14 14 ILE N N 14 122.850 120.887 1.963 1
1 74 . 17 1 1 A 14 14 ILE H H 14 8.311 8.880 -0.569 1
1 75 . 17 1 1 A 14 14 ILE CA C 14 59.824 59.846 -0.022 1
1 76 . 17 1 1 A 14 14 ILE HA H 14 4.848 5.294 -0.446 1
1 77 . 17 1 1 A 14 14 ILE CB C 14 41.237 41.936 -0.699 1
1 89 . 17 1 1 A 14 14 ILE C C 14 175.774 174.219 1.555 1
1 91 . 17 1 1 A 15 15 CYS N N 15 129.055 125.275 3.780 1
1 92 . 17 1 1 A 15 15 CYS H H 15 9.276 8.359 0.917 1
1 93 . 17 1 1 A 15 15 CYS CA C 15 59.920 57.364 2.556 1
1 94 . 17 1 1 A 15 15 CYS HA H 15 4.586 4.954 -0.368 1
1 95 . 17 1 1 A 15 15 CYS CB C 15 29.432 30.471 -1.039 1
1 97 . 17 1 1 A 15 15 CYS C C 15 177.331 176.154 1.177 1
1 99 . 17 1 1 A 16 16 SER N N 16 114.664 122.810 -8.146 1
1 100 . 17 1 1 A 16 16 SER H H 16 9.283 9.295 -0.012 1
1 101 . 17 1 1 A 16 16 SER CA C 16 61.085 59.866 1.219 1
1 102 . 17 1 1 A 16 16 SER HA H 16 4.215 4.458 -0.243 1
1 103 . 17 1 1 A 16 16 SER CB C 16 63.030 62.972 0.058 1
1 105 . 17 1 1 A 16 16 SER C C 16 174.495 175.551 -1.056 1
1 107 . 17 1 1 A 17 17 GLU N N 17 122.474 119.911 2.563 1
1 108 . 17 1 1 A 17 17 GLU H H 17 8.603 7.919 0.684 1
1 109 . 17 1 1 A 17 17 GLU CA C 17 58.006 58.243 -0.237 1
1 110 . 17 1 1 A 17 17 GLU HA H 17 4.251 4.208 0.043 1
1 111 . 17 1 1 A 17 17 GLU CB C 17 29.542 30.339 -0.797 1
1 115 . 17 1 1 A 17 17 GLU C C 17 177.153 177.926 -0.773 1
1 118 . 17 1 1 A 18 18 CYS N N 18 114.558 115.103 -0.545 1
1 119 . 17 1 1 A 18 18 CYS H H 18 7.882 8.117 -0.235 1
1 120 . 17 1 1 A 18 18 CYS CA C 18 58.430 59.722 -1.292 1
1 121 . 17 1 1 A 18 18 CYS HA H 18 5.183 4.658 0.525 1
1 122 . 17 1 1 A 18 18 CYS CB C 18 32.630 29.898 2.732 1
1 124 . 17 1 1 A 18 18 CYS C C 18 176.361 175.602 0.759 1
1 126 . 17 1 1 A 19 19 GLY N N 19 113.615 110.100 3.515 1
1 127 . 17 1 1 A 19 19 GLY H H 19 8.332 8.145 0.187 1
1 128 . 17 1 1 A 19 19 GLY CA C 19 46.106 45.205 0.901 1
1 129 . 17 1 1 A 19 19 GLY HA3 H 19 3.733 4.090 -0.357 1
1 130 . 17 1 1 A 19 19 GLY C C 19 173.422 174.360 -0.938 1
1 131 . 17 1 1 A 19 19 GLY HA2 H 19 4.186 4.071 0.115 1
1 132 . 17 1 1 A 20 20 LYS N N 20 122.607 121.667 0.940 1
1 133 . 17 1 1 A 20 20 LYS H H 20 7.917 7.971 -0.054 1
1 134 . 17 1 1 A 20 20 LYS CA C 20 58.336 55.467 2.869 1
1 135 . 17 1 1 A 20 20 LYS HA H 20 3.994 4.441 -0.447 1
1 136 . 17 1 1 A 20 20 LYS CB C 20 33.765 33.675 0.090 1
1 144 . 17 1 1 A 20 20 LYS C C 20 174.018 175.335 -1.317 1
1 149 . 17 1 1 A 21 21 VAL N N 21 119.988 124.216 -4.228 1
1 150 . 17 1 1 A 21 21 VAL H H 21 7.622 7.944 -0.322 1
1 151 . 17 1 1 A 21 21 VAL CA C 21 61.260 61.040 0.220 1
1 152 . 17 1 1 A 21 21 VAL HA H 21 4.565 4.946 -0.381 1
1 153 . 17 1 1 A 21 21 VAL CB C 21 33.625 33.709 -0.084 1
1 163 . 17 1 1 A 21 21 VAL C C 21 175.348 174.720 0.628 1
1 164 . 17 1 1 A 22 22 PHE N N 22 122.931 125.452 -2.521 1
1 165 . 17 1 1 A 22 22 PHE H H 22 8.909 8.848 0.061 1
1 166 . 17 1 1 A 22 22 PHE CA C 22 57.177 55.877 1.300 1
1 167 . 17 1 1 A 22 22 PHE HA H 22 4.774 5.040 -0.266 1
1 168 . 17 1 1 A 22 22 PHE CB C 22 42.896 41.806 1.090 1
1 180 . 17 1 1 A 22 22 PHE C C 22 175.213 176.017 -0.804 1
1 182 . 17 1 1 A 23 23 THR N N 23 113.904 117.640 -3.736 1
1 183 . 17 1 1 A 23 23 THR H H 23 8.911 8.752 0.159 1
1 184 . 17 1 1 A 23 23 THR CA C 23 63.768 65.756 -1.988 1
1 185 . 17 1 1 A 23 23 THR HA H 23 4.347 4.345 0.002 1
1 186 . 17 1 1 A 23 23 THR CB C 23 69.464 68.805 0.659 1
1 192 . 17 1 1 A 23 23 THR C C 23 174.304 174.915 -0.611 1
1 193 . 17 1 1 A 24 24 HIS N N 24 118.243 119.531 -1.288 1
1 194 . 17 1 1 A 24 24 HIS H H 24 7.673 8.032 -0.359 1
1 195 . 17 1 1 A 24 24 HIS CA C 24 55.567 54.500 1.067 1
1 196 . 17 1 1 A 24 24 HIS HA H 24 4.801 4.825 -0.024 1
1 197 . 17 1 1 A 24 24 HIS CB C 24 33.368 31.014 2.354 1
1 203 . 17 1 1 A 24 24 HIS C C 24 175.494 176.185 -0.691 1
1 205 . 17 1 1 A 25 25 LYS N N 25 127.606 124.943 2.663 1
1 206 . 17 1 1 A 25 25 LYS H H 25 8.431 8.015 0.416 1
1 207 . 17 1 1 A 25 25 LYS CA C 25 59.580 58.164 1.416 1
1 208 . 17 1 1 A 25 25 LYS HA H 25 2.970 3.047 -0.077 1
1 209 . 17 1 1 A 25 25 LYS CB C 25 31.932 31.154 0.778 1
1 216 . 17 1 1 A 25 25 LYS C C 25 178.019 178.023 -0.004 1
1 221 . 17 1 1 A 26 26 THR N N 26 111.783 114.726 -2.943 1
1 222 . 17 1 1 A 26 26 THR H H 26 8.670 7.741 0.929 1
1 223 . 17 1 1 A 26 26 THR CA C 26 65.774 65.751 0.023 1
1 224 . 17 1 1 A 26 26 THR HA H 26 3.753 3.861 -0.108 1
1 225 . 17 1 1 A 26 26 THR CB C 26 68.322 68.930 -0.608 1
1 231 . 17 1 1 A 26 26 THR C C 26 176.052 177.023 -0.971 1
1 232 . 17 1 1 A 27 27 ASN N N 27 116.833 118.850 -2.017 1
1 233 . 17 1 1 A 27 27 ASN H H 27 6.988 8.586 -1.598 1
1 234 . 17 1 1 A 27 27 ASN CA C 27 55.638 56.191 -0.553 1
1 235 . 17 1 1 A 27 27 ASN HA H 27 4.441 4.412 0.029 1
1 236 . 17 1 1 A 27 27 ASN CB C 27 38.215 39.161 -0.946 1
1 241 . 17 1 1 A 27 27 ASN C C 27 177.347 177.153 0.194 1
1 243 . 17 1 1 A 28 28 LEU N N 28 122.994 119.514 3.480 1
1 244 . 17 1 1 A 28 28 LEU H H 28 6.999 7.535 -0.536 1
1 245 . 17 1 1 A 28 28 LEU CA C 28 57.966 56.954 1.012 1
1 246 . 17 1 1 A 28 28 LEU HA H 28 2.973 2.790 0.183 1
1 247 . 17 1 1 A 28 28 LEU CB C 28 40.441 41.481 -1.040 1
1 259 . 17 1 1 A 28 28 LEU C C 28 177.008 178.132 -1.124 1
1 261 . 17 1 1 A 29 29 ILE N N 29 119.568 119.738 -0.170 1
1 262 . 17 1 1 A 29 29 ILE H H 29 7.936 8.271 -0.335 1
1 263 . 17 1 1 A 29 29 ILE CA C 29 64.632 65.258 -0.626 1
1 264 . 17 1 1 A 29 29 ILE HA H 29 3.709 3.466 0.243 1
1 265 . 17 1 1 A 29 29 ILE CB C 29 37.474 37.728 -0.254 1
1 277 . 17 1 1 A 29 29 ILE C C 29 179.171 178.120 1.051 1
1 279 . 17 1 1 A 30 30 ILE N N 30 119.207 120.522 -1.315 1
1 280 . 17 1 1 A 30 30 ILE H H 30 7.589 7.940 -0.351 1
1 281 . 17 1 1 A 30 30 ILE CA C 30 64.891 64.305 0.586 1
1 282 . 17 1 1 A 30 30 ILE HA H 30 3.617 3.699 -0.082 1
1 283 . 17 1 1 A 30 30 ILE CB C 30 38.513 36.766 1.747 1
1 295 . 17 1 1 A 30 30 ILE C C 30 178.757 178.324 0.433 1
1 297 . 17 1 1 A 31 31 HIS N N 31 119.828 120.242 -0.414 1
1 298 . 17 1 1 A 31 31 HIS H H 31 7.534 7.757 -0.223 1
1 299 . 17 1 1 A 31 31 HIS CA C 31 59.278 59.579 -0.301 1
1 300 . 17 1 1 A 31 31 HIS HA H 31 4.193 4.170 0.023 1
1 301 . 17 1 1 A 31 31 HIS CB C 31 28.635 29.693 -1.058 1
1 307 . 17 1 1 A 31 31 HIS C C 31 176.316 176.992 -0.676 1
1 309 . 17 1 1 A 32 32 GLN N N 32 115.270 117.455 -2.185 1
1 310 . 17 1 1 A 32 32 GLN H H 32 8.431 8.574 -0.143 1
1 311 . 17 1 1 A 32 32 GLN CA C 32 59.504 59.047 0.457 1
1 312 . 17 1 1 A 32 32 GLN HA H 32 3.661 3.948 -0.287 1
1 313 . 17 1 1 A 32 32 GLN CB C 32 28.316 28.407 -0.091 1
1 320 . 17 1 1 A 32 32 GLN C C 32 177.585 178.478 -0.893 1
1 323 . 17 1 1 A 33 33 LYS N N 33 117.874 120.086 -2.212 1
1 324 . 17 1 1 A 33 33 LYS H H 33 7.208 7.915 -0.707 1
1 325 . 17 1 1 A 33 33 LYS CA C 33 58.591 59.176 -0.585 1
1 326 . 17 1 1 A 33 33 LYS HA H 33 4.110 4.081 0.029 1
1 327 . 17 1 1 A 33 33 LYS CB C 33 32.257 32.520 -0.263 1
1 335 . 17 1 1 A 33 33 LYS C C 33 178.936 179.415 -0.479 1
1 340 . 17 1 1 A 34 34 ILE N N 34 116.468 117.477 -1.009 1
1 341 . 17 1 1 A 34 34 ILE H H 34 7.885 7.914 -0.029 1
1 342 . 17 1 1 A 34 34 ILE CA C 34 63.144 63.608 -0.464 1
1 343 . 17 1 1 A 34 34 ILE HA H 34 3.968 3.732 0.236 1
1 344 . 17 1 1 A 34 34 ILE CB C 34 37.733 37.186 0.547 1
1 356 . 17 1 1 A 34 34 ILE C C 34 177.569 177.166 0.403 1
1 358 . 17 1 1 A 35 35 HIS N N 35 117.615 119.745 -2.130 1
1 359 . 17 1 1 A 35 35 HIS H H 35 7.189 7.572 -0.383 1
1 360 . 17 1 1 A 35 35 HIS CA C 35 55.293 58.452 -3.159 1
1 361 . 17 1 1 A 35 35 HIS HA H 35 4.851 4.455 0.396 1
1 362 . 17 1 1 A 35 35 HIS CB C 35 28.494 31.398 -2.904 1
1 368 . 17 1 1 A 35 35 HIS C C 35 175.810 175.771 0.039 1
1 370 . 17 1 1 A 36 36 THR N N 36 111.886 112.285 -0.399 1
1 371 . 17 1 1 A 36 36 THR H H 36 7.768 7.806 -0.038 1
1 372 . 17 1 1 A 36 36 THR CA C 36 62.648 60.867 1.781 1
1 373 . 17 1 1 A 36 36 THR HA H 36 4.341 4.504 -0.163 1
1 374 . 17 1 1 A 36 36 THR CB C 36 69.832 69.501 0.331 1
1 380 . 17 1 1 A 36 36 THR C C 36 175.433 174.882 0.551 1
1 381 . 17 1 1 A 37 37 GLY N N 37 110.507 112.456 -1.949 1
1 382 . 17 1 1 A 37 37 GLY H H 37 8.214 7.991 0.223 1
1 383 . 17 1 1 A 37 37 GLY CA C 37 45.365 46.009 -0.644 1
1 384 . 17 1 1 A 37 37 GLY HA3 H 37 4.013 4.029 -0.016 1
1 385 . 17 1 1 A 37 37 GLY C C 37 174.057 174.079 -0.022 1
1 386 . 17 1 1 A 37 37 GLY HA2 H 37 3.972 4.016 -0.044 1
1 387 . 17 1 1 A 38 38 GLU N N 38 120.478 118.430 2.048 1
1 388 . 17 1 1 A 38 38 GLU H H 38 8.114 8.079 0.035 1
1 389 . 17 1 1 A 38 38 GLU CA C 38 56.517 55.548 0.969 1
1 390 . 17 1 1 A 38 38 GLU HA H 38 4.258 4.466 -0.208 1
1 391 . 17 1 1 A 38 38 GLU CB C 38 30.505 29.404 1.101 1
1 395 . 17 1 1 A 38 38 GLU C C 38 176.260 175.149 1.111 1
1 398 . 17 1 1 A 39 39 ARG N N 39 123.108 123.499 -0.391 1
1 399 . 17 1 1 A 39 39 ARG H H 39 8.347 8.033 0.314 1
1 400 . 17 1 1 A 39 39 ARG CA C 39 53.836 52.684 1.152 1
1 401 . 17 1 1 A 39 39 ARG HA H 39 4.641 4.824 -0.183 1
1 402 . 17 1 1 A 39 39 ARG CB C 39 30.295 31.818 -1.523 1
1 408 . 17 1 1 A 39 39 ARG C C 39 174.196 175.708 -1.512 1
1 412 . 17 1 1 A 40 40 PRO CA C 40 63.247 65.031 -1.784 1
1 413 . 17 1 1 A 40 40 PRO HA H 40 4.475 4.430 0.045 1
1 414 . 17 1 1 A 40 40 PRO CB C 40 32.174 32.109 0.065 1
1 423 . 17 1 1 A 41 41 SER N N 41 116.362 110.958 5.404 1
1 424 . 17 1 1 A 41 41 SER H H 41 8.471 8.137 0.334 1
1 425 . 17 1 1 A 41 41 SER CA C 41 58.579 57.114 1.465 1
1 426 . 17 1 1 A 41 41 SER HA H 41 4.503 4.643 -0.140 1
1 427 . 17 1 1 A 41 41 SER CB C 41 63.945 63.478 0.467 1
1 430 . 17 1 1 A 42 42 GLY CA C 42 44.665 45.105 -0.440 1
1 431 . 17 1 1 A 42 42 GLY HA3 H 42 4.158 4.211 -0.053 1
1 432 . 17 1 1 A 42 42 GLY HA2 H 42 4.116 4.211 -0.095 1
1 433 . 17 1 1 A 43 43 PRO CA C 43 63.255 62.523 0.732 1
1 434 . 17 1 1 A 43 43 PRO HA H 43 4.474 4.723 -0.249 1
1 435 . 17 1 1 A 43 43 PRO CB C 43 32.218 30.984 1.234 1
1 444 . 17 1 1 A 45 45 SER CA C 45 58.342 59.528 -1.186 1
1 445 . 17 1 1 A 45 45 SER HA H 45 4.495 4.252 0.243 1
1 446 . 17 1 1 A 45 45 SER CB C 45 63.915 61.089 2.826 1
1 447 . 17 1 1 A 45 45 SER C C 45 173.905 173.498 0.407 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.450 44.557 0.893 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.030 4.077 -0.047 1
1 3 . 18 1 1 A 7 7 GLY HA2 H 7 4.030 4.077 -0.047 1
1 4 . 18 1 1 A 8 8 THR N N 8 112.777 114.358 -1.581 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.142 8.303 -0.161 1
1 6 . 18 1 1 A 8 8 THR CA C 8 61.874 63.749 -1.875 1
1 7 . 18 1 1 A 8 8 THR HA H 8 4.374 4.050 0.324 1
1 8 . 18 1 1 A 8 8 THR CB C 8 69.838 69.174 0.664 1
1 14 . 18 1 1 A 8 8 THR C C 8 174.631 175.316 -0.685 1
1 15 . 18 1 1 A 9 9 GLY N N 9 110.604 114.707 -4.103 1
1 16 . 18 1 1 A 9 9 GLY H H 9 8.219 8.739 -0.520 1
1 17 . 18 1 1 A 9 9 GLY CA C 9 45.339 46.842 -1.503 1
1 18 . 18 1 1 A 9 9 GLY HA3 H 9 3.974 3.838 0.136 1
1 19 . 18 1 1 A 9 9 GLY C C 9 173.976 174.607 -0.631 1
1 20 . 18 1 1 A 9 9 GLY HA2 H 9 3.929 3.838 0.091 1
1 21 . 18 1 1 A 10 10 GLU N N 10 120.077 117.486 2.591 1
1 22 . 18 1 1 A 10 10 GLU H H 10 8.193 7.642 0.551 1
1 23 . 18 1 1 A 10 10 GLU CA C 10 56.334 56.410 -0.076 1
1 24 . 18 1 1 A 10 10 GLU HA H 10 4.257 4.372 -0.115 1
1 25 . 18 1 1 A 10 10 GLU CB C 10 30.542 30.278 0.264 1
1 29 . 18 1 1 A 10 10 GLU C C 10 175.869 176.313 -0.444 1
1 32 . 18 1 1 A 11 11 ASN N N 11 120.072 119.336 0.736 1
1 33 . 18 1 1 A 11 11 ASN H H 11 8.365 8.530 -0.165 1
1 34 . 18 1 1 A 11 11 ASN CA C 11 51.358 49.868 1.490 1
1 35 . 18 1 1 A 11 11 ASN HA H 11 4.872 5.313 -0.441 1
1 36 . 18 1 1 A 11 11 ASN CB C 11 39.215 40.210 -0.995 1
1 41 . 18 1 1 A 11 11 ASN C C 11 173.417 173.910 -0.493 1
1 43 . 18 1 1 A 12 12 PRO CA C 12 63.071 64.494 -1.423 1
1 44 . 18 1 1 A 12 12 PRO HA H 12 4.304 4.076 0.228 1
1 45 . 18 1 1 A 12 12 PRO CB C 12 32.343 31.869 0.474 1
1 51 . 18 1 1 A 12 12 PRO C C 12 175.981 175.811 0.170 1
1 55 . 18 1 1 A 13 13 PHE N N 13 119.314 115.643 3.671 1
1 56 . 18 1 1 A 13 13 PHE H H 13 8.292 7.535 0.757 1
1 57 . 18 1 1 A 13 13 PHE CA C 13 57.055 56.508 0.547 1
1 58 . 18 1 1 A 13 13 PHE HA H 13 4.705 5.113 -0.408 1
1 59 . 18 1 1 A 13 13 PHE CB C 13 39.402 43.750 -4.348 1
1 71 . 18 1 1 A 13 13 PHE C C 13 174.054 174.493 -0.439 1
1 73 . 18 1 1 A 14 14 ILE N N 14 122.850 121.867 0.983 1
1 74 . 18 1 1 A 14 14 ILE H H 14 8.311 8.664 -0.353 1
1 75 . 18 1 1 A 14 14 ILE CA C 14 59.824 59.996 -0.172 1
1 76 . 18 1 1 A 14 14 ILE HA H 14 4.848 5.022 -0.174 1
1 77 . 18 1 1 A 14 14 ILE CB C 14 41.237 41.639 -0.402 1
1 89 . 18 1 1 A 14 14 ILE C C 14 175.774 175.605 0.169 1
1 91 . 18 1 1 A 15 15 CYS N N 15 129.055 128.533 0.522 1
1 92 . 18 1 1 A 15 15 CYS H H 15 9.276 9.223 0.053 1
1 93 . 18 1 1 A 15 15 CYS CA C 15 59.920 60.321 -0.401 1
1 94 . 18 1 1 A 15 15 CYS HA H 15 4.586 4.496 0.090 1
1 95 . 18 1 1 A 15 15 CYS CB C 15 29.432 29.229 0.203 1
1 97 . 18 1 1 A 15 15 CYS C C 15 177.331 176.294 1.037 1
1 99 . 18 1 1 A 16 16 SER N N 16 114.664 122.701 -8.037 1
1 100 . 18 1 1 A 16 16 SER H H 16 9.283 9.063 0.220 1
1 101 . 18 1 1 A 16 16 SER CA C 16 61.085 58.252 2.833 1
1 102 . 18 1 1 A 16 16 SER HA H 16 4.215 4.668 -0.453 1
1 103 . 18 1 1 A 16 16 SER CB C 16 63.030 63.091 -0.061 1
1 105 . 18 1 1 A 16 16 SER C C 16 174.495 175.201 -0.706 1
1 107 . 18 1 1 A 17 17 GLU N N 17 122.474 121.714 0.760 1
1 108 . 18 1 1 A 17 17 GLU H H 17 8.603 8.077 0.526 1
1 109 . 18 1 1 A 17 17 GLU CA C 17 58.006 57.158 0.848 1
1 110 . 18 1 1 A 17 17 GLU HA H 17 4.251 4.433 -0.182 1
1 111 . 18 1 1 A 17 17 GLU CB C 17 29.542 31.968 -2.426 1
1 115 . 18 1 1 A 17 17 GLU C C 17 177.153 177.760 -0.607 1
1 118 . 18 1 1 A 18 18 CYS N N 18 114.558 114.991 -0.433 1
1 119 . 18 1 1 A 18 18 CYS H H 18 7.882 8.184 -0.302 1
1 120 . 18 1 1 A 18 18 CYS CA C 18 58.430 59.793 -1.363 1
1 121 . 18 1 1 A 18 18 CYS HA H 18 5.183 4.688 0.495 1
1 122 . 18 1 1 A 18 18 CYS CB C 18 32.630 29.865 2.765 1
1 124 . 18 1 1 A 18 18 CYS C C 18 176.361 175.474 0.887 1
1 126 . 18 1 1 A 19 19 GLY N N 19 113.615 109.963 3.652 1
1 127 . 18 1 1 A 19 19 GLY H H 19 8.332 8.179 0.153 1
1 128 . 18 1 1 A 19 19 GLY CA C 19 46.106 45.435 0.671 1
1 129 . 18 1 1 A 19 19 GLY HA3 H 19 3.733 4.097 -0.364 1
1 130 . 18 1 1 A 19 19 GLY C C 19 173.422 174.426 -1.004 1
1 131 . 18 1 1 A 19 19 GLY HA2 H 19 4.186 4.075 0.111 1
1 132 . 18 1 1 A 20 20 LYS N N 20 122.607 120.808 1.799 1
1 133 . 18 1 1 A 20 20 LYS H H 20 7.917 7.815 0.102 1
1 134 . 18 1 1 A 20 20 LYS CA C 20 58.336 54.684 3.652 1
1 135 . 18 1 1 A 20 20 LYS HA H 20 3.994 4.589 -0.595 1
1 136 . 18 1 1 A 20 20 LYS CB C 20 33.765 34.415 -0.650 1
1 144 . 18 1 1 A 20 20 LYS C C 20 174.018 175.149 -1.131 1
1 149 . 18 1 1 A 21 21 VAL N N 21 119.988 125.659 -5.671 1
1 150 . 18 1 1 A 21 21 VAL H H 21 7.622 8.354 -0.732 1
1 151 . 18 1 1 A 21 21 VAL CA C 21 61.260 61.303 -0.043 1
1 152 . 18 1 1 A 21 21 VAL HA H 21 4.565 5.083 -0.518 1
1 153 . 18 1 1 A 21 21 VAL CB C 21 33.625 32.708 0.917 1
1 163 . 18 1 1 A 21 21 VAL C C 21 175.348 174.847 0.501 1
1 164 . 18 1 1 A 22 22 PHE N N 22 122.931 125.731 -2.800 1
1 165 . 18 1 1 A 22 22 PHE H H 22 8.909 8.847 0.062 1
1 166 . 18 1 1 A 22 22 PHE CA C 22 57.177 56.469 0.708 1
1 167 . 18 1 1 A 22 22 PHE HA H 22 4.774 4.907 -0.133 1
1 168 . 18 1 1 A 22 22 PHE CB C 22 42.896 41.929 0.967 1
1 180 . 18 1 1 A 22 22 PHE C C 22 175.213 176.179 -0.966 1
1 182 . 18 1 1 A 23 23 THR N N 23 113.904 116.478 -2.574 1
1 183 . 18 1 1 A 23 23 THR H H 23 8.911 8.463 0.448 1
1 184 . 18 1 1 A 23 23 THR CA C 23 63.768 65.381 -1.613 1
1 185 . 18 1 1 A 23 23 THR HA H 23 4.347 4.046 0.301 1
1 186 . 18 1 1 A 23 23 THR CB C 23 69.464 68.292 1.172 1
1 192 . 18 1 1 A 23 23 THR C C 23 174.304 174.833 -0.529 1
1 193 . 18 1 1 A 24 24 HIS N N 24 118.243 117.737 0.506 1
1 194 . 18 1 1 A 24 24 HIS H H 24 7.673 7.350 0.323 1
1 195 . 18 1 1 A 24 24 HIS CA C 24 55.567 53.716 1.851 1
1 196 . 18 1 1 A 24 24 HIS HA H 24 4.801 4.935 -0.134 1
1 197 . 18 1 1 A 24 24 HIS CB C 24 33.368 32.154 1.214 1
1 203 . 18 1 1 A 24 24 HIS C C 24 175.494 174.946 0.548 1
1 205 . 18 1 1 A 25 25 LYS N N 25 127.606 120.672 6.934 1
1 206 . 18 1 1 A 25 25 LYS H H 25 8.431 8.626 -0.195 1
1 207 . 18 1 1 A 25 25 LYS CA C 25 59.580 59.688 -0.108 1
1 208 . 18 1 1 A 25 25 LYS HA H 25 2.970 3.237 -0.267 1
1 209 . 18 1 1 A 25 25 LYS CB C 25 31.932 31.801 0.131 1
1 216 . 18 1 1 A 25 25 LYS C C 25 178.019 178.285 -0.266 1
1 221 . 18 1 1 A 26 26 THR N N 26 111.783 114.965 -3.182 1
1 222 . 18 1 1 A 26 26 THR H H 26 8.670 7.951 0.719 1
1 223 . 18 1 1 A 26 26 THR CA C 26 65.774 66.342 -0.568 1
1 224 . 18 1 1 A 26 26 THR HA H 26 3.753 3.815 -0.062 1
1 225 . 18 1 1 A 26 26 THR CB C 26 68.322 68.186 0.136 1
1 231 . 18 1 1 A 26 26 THR C C 26 176.052 176.590 -0.538 1
1 232 . 18 1 1 A 27 27 ASN N N 27 116.833 119.777 -2.944 1
1 233 . 18 1 1 A 27 27 ASN H H 27 6.988 8.700 -1.712 1
1 234 . 18 1 1 A 27 27 ASN CA C 27 55.638 56.869 -1.231 1
1 235 . 18 1 1 A 27 27 ASN HA H 27 4.441 4.527 -0.086 1
1 236 . 18 1 1 A 27 27 ASN CB C 27 38.215 39.074 -0.859 1
1 241 . 18 1 1 A 27 27 ASN C C 27 177.347 177.389 -0.042 1
1 243 . 18 1 1 A 28 28 LEU N N 28 122.994 119.825 3.169 1
1 244 . 18 1 1 A 28 28 LEU H H 28 6.999 7.831 -0.832 1
1 245 . 18 1 1 A 28 28 LEU CA C 28 57.966 57.620 0.346 1
1 246 . 18 1 1 A 28 28 LEU HA H 28 2.973 2.276 0.697 1
1 247 . 18 1 1 A 28 28 LEU CB C 28 40.441 40.933 -0.492 1
1 259 . 18 1 1 A 28 28 LEU C C 28 177.008 178.271 -1.263 1
1 261 . 18 1 1 A 29 29 ILE N N 29 119.568 119.733 -0.165 1
1 262 . 18 1 1 A 29 29 ILE H H 29 7.936 8.359 -0.423 1
1 263 . 18 1 1 A 29 29 ILE CA C 29 64.632 65.169 -0.537 1
1 264 . 18 1 1 A 29 29 ILE HA H 29 3.709 3.784 -0.075 1
1 265 . 18 1 1 A 29 29 ILE CB C 29 37.474 37.446 0.028 1
1 277 . 18 1 1 A 29 29 ILE C C 29 179.171 178.374 0.797 1
1 279 . 18 1 1 A 30 30 ILE N N 30 119.207 121.679 -2.472 1
1 280 . 18 1 1 A 30 30 ILE H H 30 7.589 7.732 -0.143 1
1 281 . 18 1 1 A 30 30 ILE CA C 30 64.891 64.415 0.476 1
1 282 . 18 1 1 A 30 30 ILE HA H 30 3.617 3.709 -0.092 1
1 283 . 18 1 1 A 30 30 ILE CB C 30 38.513 36.828 1.685 1
1 295 . 18 1 1 A 30 30 ILE C C 30 178.757 178.543 0.214 1
1 297 . 18 1 1 A 31 31 HIS N N 31 119.828 120.305 -0.477 1
1 298 . 18 1 1 A 31 31 HIS H H 31 7.534 7.867 -0.333 1
1 299 . 18 1 1 A 31 31 HIS CA C 31 59.278 59.663 -0.385 1
1 300 . 18 1 1 A 31 31 HIS HA H 31 4.193 4.240 -0.047 1
1 301 . 18 1 1 A 31 31 HIS CB C 31 28.635 29.949 -1.314 1
1 307 . 18 1 1 A 31 31 HIS C C 31 176.316 176.903 -0.587 1
1 309 . 18 1 1 A 32 32 GLN N N 32 115.270 117.377 -2.107 1
1 310 . 18 1 1 A 32 32 GLN H H 32 8.431 8.426 0.005 1
1 311 . 18 1 1 A 32 32 GLN CA C 32 59.504 59.229 0.275 1
1 312 . 18 1 1 A 32 32 GLN HA H 32 3.661 3.743 -0.082 1
1 313 . 18 1 1 A 32 32 GLN CB C 32 28.316 28.376 -0.060 1
1 320 . 18 1 1 A 32 32 GLN C C 32 177.585 178.398 -0.813 1
1 323 . 18 1 1 A 33 33 LYS N N 33 117.874 119.807 -1.933 1
1 324 . 18 1 1 A 33 33 LYS H H 33 7.208 7.986 -0.778 1
1 325 . 18 1 1 A 33 33 LYS CA C 33 58.591 59.000 -0.409 1
1 326 . 18 1 1 A 33 33 LYS HA H 33 4.110 3.981 0.129 1
1 327 . 18 1 1 A 33 33 LYS CB C 33 32.257 32.679 -0.422 1
1 335 . 18 1 1 A 33 33 LYS C C 33 178.936 179.309 -0.373 1
1 340 . 18 1 1 A 34 34 ILE N N 34 116.468 117.545 -1.077 1
1 341 . 18 1 1 A 34 34 ILE H H 34 7.885 7.949 -0.064 1
1 342 . 18 1 1 A 34 34 ILE CA C 34 63.144 64.311 -1.167 1
1 343 . 18 1 1 A 34 34 ILE HA H 34 3.968 3.732 0.236 1
1 344 . 18 1 1 A 34 34 ILE CB C 34 37.733 37.231 0.502 1
1 356 . 18 1 1 A 34 34 ILE C C 34 177.569 177.839 -0.270 1
1 358 . 18 1 1 A 35 35 HIS N N 35 117.615 119.560 -1.945 1
1 359 . 18 1 1 A 35 35 HIS H H 35 7.189 7.548 -0.359 1
1 360 . 18 1 1 A 35 35 HIS CA C 35 55.293 59.654 -4.361 1
1 361 . 18 1 1 A 35 35 HIS HA H 35 4.851 4.319 0.532 1
1 362 . 18 1 1 A 35 35 HIS CB C 35 28.494 30.625 -2.131 1
1 368 . 18 1 1 A 35 35 HIS C C 35 175.810 175.869 -0.059 1
1 370 . 18 1 1 A 36 36 THR N N 36 111.886 113.164 -1.278 1
1 371 . 18 1 1 A 36 36 THR H H 36 7.768 7.821 -0.053 1
1 372 . 18 1 1 A 36 36 THR CA C 36 62.648 61.736 0.912 1
1 373 . 18 1 1 A 36 36 THR HA H 36 4.341 4.453 -0.112 1
1 374 . 18 1 1 A 36 36 THR CB C 36 69.832 70.169 -0.337 1
1 380 . 18 1 1 A 36 36 THR C C 36 175.433 174.546 0.887 1
1 381 . 18 1 1 A 37 37 GLY N N 37 110.507 115.768 -5.261 1
1 382 . 18 1 1 A 37 37 GLY H H 37 8.214 8.183 0.031 1
1 383 . 18 1 1 A 37 37 GLY CA C 37 45.365 45.712 -0.347 1
1 384 . 18 1 1 A 37 37 GLY HA3 H 37 4.013 4.091 -0.078 1
1 385 . 18 1 1 A 37 37 GLY C C 37 174.057 174.615 -0.558 1
1 386 . 18 1 1 A 37 37 GLY HA2 H 37 3.972 4.087 -0.115 1
1 387 . 18 1 1 A 38 38 GLU N N 38 120.478 125.713 -5.235 1
1 388 . 18 1 1 A 38 38 GLU H H 38 8.114 8.634 -0.520 1
1 389 . 18 1 1 A 38 38 GLU CA C 38 56.517 57.291 -0.774 1
1 390 . 18 1 1 A 38 38 GLU HA H 38 4.258 4.400 -0.142 1
1 391 . 18 1 1 A 38 38 GLU CB C 38 30.505 31.242 -0.737 1
1 395 . 18 1 1 A 38 38 GLU C C 38 176.260 177.090 -0.830 1
1 398 . 18 1 1 A 39 39 ARG N N 39 123.108 119.901 3.207 1
1 399 . 18 1 1 A 39 39 ARG H H 39 8.347 7.752 0.595 1
1 400 . 18 1 1 A 39 39 ARG CA C 39 53.836 54.762 -0.926 1
1 401 . 18 1 1 A 39 39 ARG HA H 39 4.641 4.435 0.206 1
1 402 . 18 1 1 A 39 39 ARG CB C 39 30.295 29.761 0.534 1
1 408 . 18 1 1 A 39 39 ARG C C 39 174.196 174.474 -0.278 1
1 412 . 18 1 1 A 40 40 PRO CA C 40 63.247 62.849 0.398 1
1 413 . 18 1 1 A 40 40 PRO HA H 40 4.475 4.694 -0.219 1
1 414 . 18 1 1 A 40 40 PRO CB C 40 32.174 32.300 -0.126 1
1 423 . 18 1 1 A 41 41 SER N N 41 116.362 118.883 -2.521 1
1 424 . 18 1 1 A 41 41 SER H H 41 8.471 8.743 -0.272 1
1 425 . 18 1 1 A 41 41 SER CA C 41 58.579 57.567 1.012 1
1 426 . 18 1 1 A 41 41 SER HA H 41 4.503 4.983 -0.480 1
1 427 . 18 1 1 A 41 41 SER CB C 41 63.945 65.403 -1.458 1
1 430 . 18 1 1 A 42 42 GLY CA C 42 44.665 44.882 -0.217 1
1 431 . 18 1 1 A 42 42 GLY HA3 H 42 4.158 3.945 0.213 1
1 432 . 18 1 1 A 42 42 GLY HA2 H 42 4.116 3.936 0.180 1
1 433 . 18 1 1 A 43 43 PRO CA C 43 63.255 64.972 -1.717 1
1 434 . 18 1 1 A 43 43 PRO HA H 43 4.474 4.391 0.083 1
1 435 . 18 1 1 A 43 43 PRO CB C 43 32.218 32.002 0.216 1
1 444 . 18 1 1 A 45 45 SER CA C 45 58.342 58.957 -0.615 1
1 445 . 18 1 1 A 45 45 SER HA H 45 4.495 4.676 -0.181 1
1 446 . 18 1 1 A 45 45 SER CB C 45 63.915 62.407 1.508 1
1 447 . 18 1 1 A 45 45 SER C C 45 173.905 175.168 -1.263 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.450 45.557 -0.107 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.030 4.225 -0.195 1
1 3 . 19 1 1 A 7 7 GLY HA2 H 7 4.030 4.225 -0.195 1
1 4 . 19 1 1 A 8 8 THR N N 8 112.777 115.944 -3.167 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.142 8.445 -0.303 1
1 6 . 19 1 1 A 8 8 THR CA C 8 61.874 61.162 0.712 1
1 7 . 19 1 1 A 8 8 THR HA H 8 4.374 4.765 -0.391 1
1 8 . 19 1 1 A 8 8 THR CB C 8 69.838 69.990 -0.152 1
1 14 . 19 1 1 A 8 8 THR C C 8 174.631 174.049 0.582 1
1 15 . 19 1 1 A 9 9 GLY N N 9 110.604 115.557 -4.953 1
1 16 . 19 1 1 A 9 9 GLY H H 9 8.219 8.436 -0.217 1
1 17 . 19 1 1 A 9 9 GLY CA C 9 45.339 46.456 -1.117 1
1 18 . 19 1 1 A 9 9 GLY HA3 H 9 3.974 4.137 -0.163 1
1 19 . 19 1 1 A 9 9 GLY C C 9 173.976 174.742 -0.766 1
1 20 . 19 1 1 A 9 9 GLY HA2 H 9 3.929 4.136 -0.207 1
1 21 . 19 1 1 A 10 10 GLU N N 10 120.077 120.154 -0.077 1
1 22 . 19 1 1 A 10 10 GLU H H 10 8.193 8.001 0.192 1
1 23 . 19 1 1 A 10 10 GLU CA C 10 56.334 58.043 -1.709 1
1 24 . 19 1 1 A 10 10 GLU HA H 10 4.257 4.381 -0.124 1
1 25 . 19 1 1 A 10 10 GLU CB C 10 30.542 30.568 -0.026 1
1 29 . 19 1 1 A 10 10 GLU C C 10 175.869 177.187 -1.318 1
1 32 . 19 1 1 A 11 11 ASN N N 11 120.072 118.311 1.761 1
1 33 . 19 1 1 A 11 11 ASN H H 11 8.365 7.877 0.488 1
1 34 . 19 1 1 A 11 11 ASN CA C 11 51.358 52.105 -0.747 1
1 35 . 19 1 1 A 11 11 ASN HA H 11 4.872 4.793 0.079 1
1 36 . 19 1 1 A 11 11 ASN CB C 11 39.215 37.769 1.446 1
1 41 . 19 1 1 A 11 11 ASN C C 11 173.417 175.147 -1.730 1
1 43 . 19 1 1 A 12 12 PRO CA C 12 63.071 64.625 -1.554 1
1 44 . 19 1 1 A 12 12 PRO HA H 12 4.304 4.140 0.164 1
1 45 . 19 1 1 A 12 12 PRO CB C 12 32.343 31.907 0.436 1
1 51 . 19 1 1 A 12 12 PRO C C 12 175.981 176.083 -0.102 1
1 55 . 19 1 1 A 13 13 PHE N N 13 119.314 115.844 3.470 1
1 56 . 19 1 1 A 13 13 PHE H H 13 8.292 7.550 0.742 1
1 57 . 19 1 1 A 13 13 PHE CA C 13 57.055 56.289 0.766 1
1 58 . 19 1 1 A 13 13 PHE HA H 13 4.705 5.247 -0.542 1
1 59 . 19 1 1 A 13 13 PHE CB C 13 39.402 43.651 -4.249 1
1 71 . 19 1 1 A 13 13 PHE C C 13 174.054 174.457 -0.403 1
1 73 . 19 1 1 A 14 14 ILE N N 14 122.850 122.743 0.107 1
1 74 . 19 1 1 A 14 14 ILE H H 14 8.311 9.177 -0.866 1
1 75 . 19 1 1 A 14 14 ILE CA C 14 59.824 59.307 0.517 1
1 76 . 19 1 1 A 14 14 ILE HA H 14 4.848 4.985 -0.137 1
1 77 . 19 1 1 A 14 14 ILE CB C 14 41.237 41.609 -0.372 1
1 89 . 19 1 1 A 14 14 ILE C C 14 175.774 174.954 0.820 1
1 91 . 19 1 1 A 15 15 CYS N N 15 129.055 126.949 2.106 1
1 92 . 19 1 1 A 15 15 CYS H H 15 9.276 8.530 0.746 1
1 93 . 19 1 1 A 15 15 CYS CA C 15 59.920 59.375 0.545 1
1 94 . 19 1 1 A 15 15 CYS HA H 15 4.586 4.632 -0.046 1
1 95 . 19 1 1 A 15 15 CYS CB C 15 29.432 29.162 0.270 1
1 97 . 19 1 1 A 15 15 CYS C C 15 177.331 176.186 1.145 1
1 99 . 19 1 1 A 16 16 SER N N 16 114.664 122.782 -8.118 1
1 100 . 19 1 1 A 16 16 SER H H 16 9.283 8.975 0.308 1
1 101 . 19 1 1 A 16 16 SER CA C 16 61.085 60.789 0.296 1
1 102 . 19 1 1 A 16 16 SER HA H 16 4.215 4.273 -0.058 1
1 103 . 19 1 1 A 16 16 SER CB C 16 63.030 63.374 -0.344 1
1 105 . 19 1 1 A 16 16 SER C C 16 174.495 176.073 -1.578 1
1 107 . 19 1 1 A 17 17 GLU N N 17 122.474 121.049 1.425 1
1 108 . 19 1 1 A 17 17 GLU H H 17 8.603 7.151 1.452 1
1 109 . 19 1 1 A 17 17 GLU CA C 17 58.006 58.828 -0.822 1
1 110 . 19 1 1 A 17 17 GLU HA H 17 4.251 4.016 0.235 1
1 111 . 19 1 1 A 17 17 GLU CB C 17 29.542 29.402 0.140 1
1 115 . 19 1 1 A 17 17 GLU C C 17 177.153 178.139 -0.986 1
1 118 . 19 1 1 A 18 18 CYS N N 18 114.558 114.632 -0.074 1
1 119 . 19 1 1 A 18 18 CYS H H 18 7.882 7.727 0.155 1
1 120 . 19 1 1 A 18 18 CYS CA C 18 58.430 59.807 -1.377 1
1 121 . 19 1 1 A 18 18 CYS HA H 18 5.183 4.603 0.580 1
1 122 . 19 1 1 A 18 18 CYS CB C 18 32.630 29.117 3.513 1
1 124 . 19 1 1 A 18 18 CYS C C 18 176.361 175.277 1.084 1
1 126 . 19 1 1 A 19 19 GLY N N 19 113.615 109.948 3.667 1
1 127 . 19 1 1 A 19 19 GLY H H 19 8.332 8.149 0.183 1
1 128 . 19 1 1 A 19 19 GLY CA C 19 46.106 45.450 0.656 1
1 129 . 19 1 1 A 19 19 GLY HA3 H 19 3.733 4.073 -0.340 1
1 130 . 19 1 1 A 19 19 GLY C C 19 173.422 174.368 -0.946 1
1 131 . 19 1 1 A 19 19 GLY HA2 H 19 4.186 4.056 0.130 1
1 132 . 19 1 1 A 20 20 LYS N N 20 122.607 121.077 1.530 1
1 133 . 19 1 1 A 20 20 LYS H H 20 7.917 7.749 0.168 1
1 134 . 19 1 1 A 20 20 LYS CA C 20 58.336 54.735 3.601 1
1 135 . 19 1 1 A 20 20 LYS HA H 20 3.994 4.536 -0.542 1
1 136 . 19 1 1 A 20 20 LYS CB C 20 33.765 33.885 -0.120 1
1 144 . 19 1 1 A 20 20 LYS C C 20 174.018 175.519 -1.501 1
1 149 . 19 1 1 A 21 21 VAL N N 21 119.988 126.077 -6.089 1
1 150 . 19 1 1 A 21 21 VAL H H 21 7.622 8.264 -0.642 1
1 151 . 19 1 1 A 21 21 VAL CA C 21 61.260 62.009 -0.749 1
1 152 . 19 1 1 A 21 21 VAL HA H 21 4.565 4.863 -0.298 1
1 153 . 19 1 1 A 21 21 VAL CB C 21 33.625 31.838 1.787 1
1 163 . 19 1 1 A 21 21 VAL C C 21 175.348 175.065 0.283 1
1 164 . 19 1 1 A 22 22 PHE N N 22 122.931 125.785 -2.854 1
1 165 . 19 1 1 A 22 22 PHE H H 22 8.909 8.956 -0.047 1
1 166 . 19 1 1 A 22 22 PHE CA C 22 57.177 56.244 0.933 1
1 167 . 19 1 1 A 22 22 PHE HA H 22 4.774 5.053 -0.279 1
1 168 . 19 1 1 A 22 22 PHE CB C 22 42.896 42.568 0.328 1
1 180 . 19 1 1 A 22 22 PHE C C 22 175.213 176.215 -1.002 1
1 182 . 19 1 1 A 23 23 THR N N 23 113.904 116.828 -2.924 1
1 183 . 19 1 1 A 23 23 THR H H 23 8.911 8.657 0.254 1
1 184 . 19 1 1 A 23 23 THR CA C 23 63.768 66.320 -2.552 1
1 185 . 19 1 1 A 23 23 THR HA H 23 4.347 3.923 0.424 1
1 186 . 19 1 1 A 23 23 THR CB C 23 69.464 68.945 0.519 1
1 192 . 19 1 1 A 23 23 THR C C 23 174.304 174.903 -0.599 1
1 193 . 19 1 1 A 24 24 HIS N N 24 118.243 116.062 2.181 1
1 194 . 19 1 1 A 24 24 HIS H H 24 7.673 8.170 -0.497 1
1 195 . 19 1 1 A 24 24 HIS CA C 24 55.567 53.181 2.386 1
1 196 . 19 1 1 A 24 24 HIS HA H 24 4.801 4.942 -0.141 1
1 197 . 19 1 1 A 24 24 HIS CB C 24 33.368 33.008 0.360 1
1 203 . 19 1 1 A 24 24 HIS C C 24 175.494 175.359 0.135 1
1 205 . 19 1 1 A 25 25 LYS N N 25 127.606 116.764 10.842 1
1 206 . 19 1 1 A 25 25 LYS H H 25 8.431 8.018 0.413 1
1 207 . 19 1 1 A 25 25 LYS CA C 25 59.580 58.347 1.233 1
1 208 . 19 1 1 A 25 25 LYS HA H 25 2.970 3.301 -0.331 1
1 209 . 19 1 1 A 25 25 LYS CB C 25 31.932 31.343 0.589 1
1 216 . 19 1 1 A 25 25 LYS C C 25 178.019 177.977 0.042 1
1 221 . 19 1 1 A 26 26 THR N N 26 111.783 116.556 -4.773 1
1 222 . 19 1 1 A 26 26 THR H H 26 8.670 7.713 0.957 1
1 223 . 19 1 1 A 26 26 THR CA C 26 65.774 66.842 -1.068 1
1 224 . 19 1 1 A 26 26 THR HA H 26 3.753 3.705 0.048 1
1 225 . 19 1 1 A 26 26 THR CB C 26 68.322 67.785 0.537 1
1 231 . 19 1 1 A 26 26 THR C C 26 176.052 176.576 -0.524 1
1 232 . 19 1 1 A 27 27 ASN N N 27 116.833 119.313 -2.480 1
1 233 . 19 1 1 A 27 27 ASN H H 27 6.988 8.177 -1.189 1
1 234 . 19 1 1 A 27 27 ASN CA C 27 55.638 56.063 -0.425 1
1 235 . 19 1 1 A 27 27 ASN HA H 27 4.441 4.498 -0.057 1
1 236 . 19 1 1 A 27 27 ASN CB C 27 38.215 38.627 -0.412 1
1 241 . 19 1 1 A 27 27 ASN C C 27 177.347 177.557 -0.210 1
1 243 . 19 1 1 A 28 28 LEU N N 28 122.994 120.737 2.257 1
1 244 . 19 1 1 A 28 28 LEU H H 28 6.999 7.404 -0.405 1
1 245 . 19 1 1 A 28 28 LEU CA C 28 57.966 57.844 0.122 1
1 246 . 19 1 1 A 28 28 LEU HA H 28 2.973 2.656 0.317 1
1 247 . 19 1 1 A 28 28 LEU CB C 28 40.441 41.264 -0.823 1
1 259 . 19 1 1 A 28 28 LEU C C 28 177.008 178.284 -1.276 1
1 261 . 19 1 1 A 29 29 ILE N N 29 119.568 119.772 -0.204 1
1 262 . 19 1 1 A 29 29 ILE H H 29 7.936 8.300 -0.364 1
1 263 . 19 1 1 A 29 29 ILE CA C 29 64.632 65.283 -0.651 1
1 264 . 19 1 1 A 29 29 ILE HA H 29 3.709 3.590 0.119 1
1 265 . 19 1 1 A 29 29 ILE CB C 29 37.474 37.625 -0.151 1
1 277 . 19 1 1 A 29 29 ILE C C 29 179.171 178.396 0.775 1
1 279 . 19 1 1 A 30 30 ILE N N 30 119.207 120.933 -1.726 1
1 280 . 19 1 1 A 30 30 ILE H H 30 7.589 7.611 -0.022 1
1 281 . 19 1 1 A 30 30 ILE CA C 30 64.891 64.708 0.183 1
1 282 . 19 1 1 A 30 30 ILE HA H 30 3.617 3.560 0.057 1
1 283 . 19 1 1 A 30 30 ILE CB C 30 38.513 37.195 1.318 1
1 295 . 19 1 1 A 30 30 ILE C C 30 178.757 178.642 0.115 1
1 297 . 19 1 1 A 31 31 HIS N N 31 119.828 120.194 -0.366 1
1 298 . 19 1 1 A 31 31 HIS H H 31 7.534 7.675 -0.141 1
1 299 . 19 1 1 A 31 31 HIS CA C 31 59.278 59.321 -0.043 1
1 300 . 19 1 1 A 31 31 HIS HA H 31 4.193 4.184 0.009 1
1 301 . 19 1 1 A 31 31 HIS CB C 31 28.635 29.927 -1.292 1
1 307 . 19 1 1 A 31 31 HIS C C 31 176.316 176.924 -0.608 1
1 309 . 19 1 1 A 32 32 GLN N N 32 115.270 117.287 -2.017 1
1 310 . 19 1 1 A 32 32 GLN H H 32 8.431 8.563 -0.132 1
1 311 . 19 1 1 A 32 32 GLN CA C 32 59.504 59.048 0.456 1
1 312 . 19 1 1 A 32 32 GLN HA H 32 3.661 3.929 -0.268 1
1 313 . 19 1 1 A 32 32 GLN CB C 32 28.316 28.354 -0.038 1
1 320 . 19 1 1 A 32 32 GLN C C 32 177.585 178.516 -0.931 1
1 323 . 19 1 1 A 33 33 LYS N N 33 117.874 119.516 -1.642 1
1 324 . 19 1 1 A 33 33 LYS H H 33 7.208 8.159 -0.951 1
1 325 . 19 1 1 A 33 33 LYS CA C 33 58.591 59.059 -0.468 1
1 326 . 19 1 1 A 33 33 LYS HA H 33 4.110 3.958 0.152 1
1 327 . 19 1 1 A 33 33 LYS CB C 33 32.257 32.389 -0.132 1
1 335 . 19 1 1 A 33 33 LYS C C 33 178.936 179.309 -0.373 1
1 340 . 19 1 1 A 34 34 ILE N N 34 116.468 117.239 -0.771 1
1 341 . 19 1 1 A 34 34 ILE H H 34 7.885 8.183 -0.298 1
1 342 . 19 1 1 A 34 34 ILE CA C 34 63.144 63.819 -0.675 1
1 343 . 19 1 1 A 34 34 ILE HA H 34 3.968 3.751 0.217 1
1 344 . 19 1 1 A 34 34 ILE CB C 34 37.733 37.267 0.466 1
1 356 . 19 1 1 A 34 34 ILE C C 34 177.569 176.621 0.948 1
1 358 . 19 1 1 A 35 35 HIS N N 35 117.615 119.302 -1.687 1
1 359 . 19 1 1 A 35 35 HIS H H 35 7.189 8.016 -0.827 1
1 360 . 19 1 1 A 35 35 HIS CA C 35 55.293 56.246 -0.953 1
1 361 . 19 1 1 A 35 35 HIS HA H 35 4.851 4.579 0.272 1
1 362 . 19 1 1 A 35 35 HIS CB C 35 28.494 29.840 -1.346 1
1 368 . 19 1 1 A 35 35 HIS C C 35 175.810 174.700 1.110 1
1 370 . 19 1 1 A 36 36 THR N N 36 111.886 113.343 -1.457 1
1 371 . 19 1 1 A 36 36 THR H H 36 7.768 7.966 -0.198 1
1 372 . 19 1 1 A 36 36 THR CA C 36 62.648 59.889 2.759 1
1 373 . 19 1 1 A 36 36 THR HA H 36 4.341 4.532 -0.191 1
1 374 . 19 1 1 A 36 36 THR CB C 36 69.832 71.431 -1.599 1
1 380 . 19 1 1 A 36 36 THR C C 36 175.433 175.074 0.359 1
1 381 . 19 1 1 A 37 37 GLY N N 37 110.507 115.095 -4.588 1
1 382 . 19 1 1 A 37 37 GLY H H 37 8.214 8.839 -0.625 1
1 383 . 19 1 1 A 37 37 GLY CA C 37 45.365 47.314 -1.949 1
1 384 . 19 1 1 A 37 37 GLY HA3 H 37 4.013 3.817 0.196 1
1 385 . 19 1 1 A 37 37 GLY C C 37 174.057 175.134 -1.077 1
1 386 . 19 1 1 A 37 37 GLY HA2 H 37 3.972 3.811 0.161 1
1 387 . 19 1 1 A 38 38 GLU N N 38 120.478 119.921 0.557 1
1 388 . 19 1 1 A 38 38 GLU H H 38 8.114 8.294 -0.180 1
1 389 . 19 1 1 A 38 38 GLU CA C 38 56.517 57.463 -0.946 1
1 390 . 19 1 1 A 38 38 GLU HA H 38 4.258 3.903 0.355 1
1 391 . 19 1 1 A 38 38 GLU CB C 38 30.505 28.642 1.863 1
1 395 . 19 1 1 A 38 38 GLU C C 38 176.260 175.068 1.192 1
1 398 . 19 1 1 A 39 39 ARG N N 39 123.108 115.214 7.894 1
1 399 . 19 1 1 A 39 39 ARG H H 39 8.347 7.334 1.013 1
1 400 . 19 1 1 A 39 39 ARG CA C 39 53.836 54.751 -0.915 1
1 401 . 19 1 1 A 39 39 ARG HA H 39 4.641 4.672 -0.031 1
1 402 . 19 1 1 A 39 39 ARG CB C 39 30.295 32.166 -1.871 1
1 408 . 19 1 1 A 39 39 ARG C C 39 174.196 173.098 1.098 1
1 412 . 19 1 1 A 40 40 PRO CA C 40 63.247 62.169 1.078 1
1 413 . 19 1 1 A 40 40 PRO HA H 40 4.475 4.645 -0.170 1
1 414 . 19 1 1 A 40 40 PRO CB C 40 32.174 29.715 2.459 1
1 423 . 19 1 1 A 41 41 SER N N 41 116.362 119.138 -2.776 1
1 424 . 19 1 1 A 41 41 SER H H 41 8.471 8.301 0.170 1
1 425 . 19 1 1 A 41 41 SER CA C 41 58.579 62.018 -3.439 1
1 426 . 19 1 1 A 41 41 SER HA H 41 4.503 4.141 0.362 1
1 427 . 19 1 1 A 41 41 SER CB C 41 63.945 62.959 0.986 1
1 430 . 19 1 1 A 42 42 GLY CA C 42 44.665 45.400 -0.735 1
1 431 . 19 1 1 A 42 42 GLY HA3 H 42 4.158 3.923 0.235 1
1 432 . 19 1 1 A 42 42 GLY HA2 H 42 4.116 3.922 0.194 1
1 433 . 19 1 1 A 43 43 PRO CA C 43 63.255 64.252 -0.997 1
1 434 . 19 1 1 A 43 43 PRO HA H 43 4.474 4.482 -0.008 1
1 435 . 19 1 1 A 43 43 PRO CB C 43 32.218 31.791 0.427 1
1 444 . 19 1 1 A 45 45 SER CA C 45 58.342 58.148 0.194 1
1 445 . 19 1 1 A 45 45 SER HA H 45 4.495 4.419 0.076 1
1 446 . 19 1 1 A 45 45 SER CB C 45 63.915 63.080 0.835 1
1 447 . 19 1 1 A 45 45 SER C C 45 173.905 174.826 -0.921 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.450 46.373 -0.923 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.030 3.909 0.121 1
1 3 . 20 1 1 A 7 7 GLY HA2 H 7 4.030 3.907 0.123 1
1 4 . 20 1 1 A 8 8 THR N N 8 112.777 113.108 -0.331 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.142 8.511 -0.369 1
1 6 . 20 1 1 A 8 8 THR CA C 8 61.874 62.906 -1.032 1
1 7 . 20 1 1 A 8 8 THR HA H 8 4.374 4.090 0.284 1
1 8 . 20 1 1 A 8 8 THR CB C 8 69.838 66.628 3.210 1
1 14 . 20 1 1 A 8 8 THR C C 8 174.631 174.497 0.134 1
1 15 . 20 1 1 A 9 9 GLY N N 9 110.604 111.408 -0.804 1
1 16 . 20 1 1 A 9 9 GLY H H 9 8.219 8.606 -0.387 1
1 17 . 20 1 1 A 9 9 GLY CA C 9 45.339 47.389 -2.050 1
1 18 . 20 1 1 A 9 9 GLY HA3 H 9 3.974 3.837 0.137 1
1 19 . 20 1 1 A 9 9 GLY C C 9 173.976 173.811 0.165 1
1 20 . 20 1 1 A 9 9 GLY HA2 H 9 3.929 3.834 0.095 1
1 21 . 20 1 1 A 10 10 GLU N N 10 120.077 124.672 -4.595 1
1 22 . 20 1 1 A 10 10 GLU H H 10 8.193 8.537 -0.344 1
1 23 . 20 1 1 A 10 10 GLU CA C 10 56.334 54.961 1.373 1
1 24 . 20 1 1 A 10 10 GLU HA H 10 4.257 4.871 -0.614 1
1 25 . 20 1 1 A 10 10 GLU CB C 10 30.542 30.845 -0.303 1
1 29 . 20 1 1 A 10 10 GLU C C 10 175.869 175.519 0.350 1
1 32 . 20 1 1 A 11 11 ASN N N 11 120.072 124.238 -4.166 1
1 33 . 20 1 1 A 11 11 ASN H H 11 8.365 8.844 -0.479 1
1 34 . 20 1 1 A 11 11 ASN CA C 11 51.358 51.820 -0.462 1
1 35 . 20 1 1 A 11 11 ASN HA H 11 4.872 4.758 0.114 1
1 36 . 20 1 1 A 11 11 ASN CB C 11 39.215 37.815 1.400 1
1 41 . 20 1 1 A 11 11 ASN C C 11 173.417 175.243 -1.826 1
1 43 . 20 1 1 A 12 12 PRO CA C 12 63.071 64.556 -1.485 1
1 44 . 20 1 1 A 12 12 PRO HA H 12 4.304 4.007 0.297 1
1 45 . 20 1 1 A 12 12 PRO CB C 12 32.343 31.842 0.501 1
1 51 . 20 1 1 A 12 12 PRO C C 12 175.981 175.712 0.269 1
1 55 . 20 1 1 A 13 13 PHE N N 13 119.314 115.166 4.148 1
1 56 . 20 1 1 A 13 13 PHE H H 13 8.292 7.516 0.776 1
1 57 . 20 1 1 A 13 13 PHE CA C 13 57.055 56.589 0.466 1
1 58 . 20 1 1 A 13 13 PHE HA H 13 4.705 5.103 -0.398 1
1 59 . 20 1 1 A 13 13 PHE CB C 13 39.402 42.978 -3.576 1
1 71 . 20 1 1 A 13 13 PHE C C 13 174.054 174.338 -0.284 1
1 73 . 20 1 1 A 14 14 ILE N N 14 122.850 122.969 -0.119 1
1 74 . 20 1 1 A 14 14 ILE H H 14 8.311 8.849 -0.538 1
1 75 . 20 1 1 A 14 14 ILE CA C 14 59.824 59.372 0.452 1
1 76 . 20 1 1 A 14 14 ILE HA H 14 4.848 4.963 -0.115 1
1 77 . 20 1 1 A 14 14 ILE CB C 14 41.237 41.635 -0.398 1
1 89 . 20 1 1 A 14 14 ILE C C 14 175.774 175.659 0.115 1
1 91 . 20 1 1 A 15 15 CYS N N 15 129.055 128.960 0.095 1
1 92 . 20 1 1 A 15 15 CYS H H 15 9.276 9.365 -0.089 1
1 93 . 20 1 1 A 15 15 CYS CA C 15 59.920 59.909 0.011 1
1 94 . 20 1 1 A 15 15 CYS HA H 15 4.586 4.651 -0.065 1
1 95 . 20 1 1 A 15 15 CYS CB C 15 29.432 28.774 0.658 1
1 97 . 20 1 1 A 15 15 CYS C C 15 177.331 175.762 1.569 1
1 99 . 20 1 1 A 16 16 SER N N 16 114.664 123.174 -8.510 1
1 100 . 20 1 1 A 16 16 SER H H 16 9.283 8.825 0.458 1
1 101 . 20 1 1 A 16 16 SER CA C 16 61.085 58.360 2.725 1
1 102 . 20 1 1 A 16 16 SER HA H 16 4.215 4.743 -0.528 1
1 103 . 20 1 1 A 16 16 SER CB C 16 63.030 63.326 -0.296 1
1 105 . 20 1 1 A 16 16 SER C C 16 174.495 174.668 -0.173 1
1 107 . 20 1 1 A 17 17 GLU N N 17 122.474 119.847 2.627 1
1 108 . 20 1 1 A 17 17 GLU H H 17 8.603 8.026 0.577 1
1 109 . 20 1 1 A 17 17 GLU CA C 17 58.006 57.167 0.839 1
1 110 . 20 1 1 A 17 17 GLU HA H 17 4.251 4.371 -0.120 1
1 111 . 20 1 1 A 17 17 GLU CB C 17 29.542 31.512 -1.970 1
1 115 . 20 1 1 A 17 17 GLU C C 17 177.153 177.704 -0.551 1
1 118 . 20 1 1 A 18 18 CYS N N 18 114.558 114.694 -0.136 1
1 119 . 20 1 1 A 18 18 CYS H H 18 7.882 8.122 -0.240 1
1 120 . 20 1 1 A 18 18 CYS CA C 18 58.430 59.745 -1.315 1
1 121 . 20 1 1 A 18 18 CYS HA H 18 5.183 4.694 0.489 1
1 122 . 20 1 1 A 18 18 CYS CB C 18 32.630 29.908 2.722 1
1 124 . 20 1 1 A 18 18 CYS C C 18 176.361 175.440 0.921 1
1 126 . 20 1 1 A 19 19 GLY N N 19 113.615 109.973 3.642 1
1 127 . 20 1 1 A 19 19 GLY H H 19 8.332 8.156 0.176 1
1 128 . 20 1 1 A 19 19 GLY CA C 19 46.106 45.252 0.854 1
1 129 . 20 1 1 A 19 19 GLY HA3 H 19 3.733 4.088 -0.355 1
1 130 . 20 1 1 A 19 19 GLY C C 19 173.422 174.330 -0.908 1
1 131 . 20 1 1 A 19 19 GLY HA2 H 19 4.186 4.073 0.113 1
1 132 . 20 1 1 A 20 20 LYS N N 20 122.607 121.003 1.604 1
1 133 . 20 1 1 A 20 20 LYS H H 20 7.917 7.779 0.138 1
1 134 . 20 1 1 A 20 20 LYS CA C 20 58.336 54.769 3.567 1
1 135 . 20 1 1 A 20 20 LYS HA H 20 3.994 4.605 -0.611 1
1 136 . 20 1 1 A 20 20 LYS CB C 20 33.765 34.449 -0.684 1
1 144 . 20 1 1 A 20 20 LYS C C 20 174.018 174.754 -0.736 1
1 149 . 20 1 1 A 21 21 VAL N N 21 119.988 126.995 -7.007 1
1 150 . 20 1 1 A 21 21 VAL H H 21 7.622 8.479 -0.857 1
1 151 . 20 1 1 A 21 21 VAL CA C 21 61.260 61.045 0.215 1
1 152 . 20 1 1 A 21 21 VAL HA H 21 4.565 4.974 -0.409 1
1 153 . 20 1 1 A 21 21 VAL CB C 21 33.625 33.025 0.600 1
1 163 . 20 1 1 A 21 21 VAL C C 21 175.348 173.968 1.380 1
1 164 . 20 1 1 A 22 22 PHE N N 22 122.931 126.067 -3.136 1
1 165 . 20 1 1 A 22 22 PHE H H 22 8.909 9.218 -0.309 1
1 166 . 20 1 1 A 22 22 PHE CA C 22 57.177 56.525 0.652 1
1 167 . 20 1 1 A 22 22 PHE HA H 22 4.774 4.877 -0.103 1
1 168 . 20 1 1 A 22 22 PHE CB C 22 42.896 42.130 0.766 1
1 180 . 20 1 1 A 22 22 PHE C C 22 175.213 176.102 -0.889 1
1 182 . 20 1 1 A 23 23 THR N N 23 113.904 117.162 -3.258 1
1 183 . 20 1 1 A 23 23 THR H H 23 8.911 8.797 0.114 1
1 184 . 20 1 1 A 23 23 THR CA C 23 63.768 66.487 -2.719 1
1 185 . 20 1 1 A 23 23 THR HA H 23 4.347 4.235 0.112 1
1 186 . 20 1 1 A 23 23 THR CB C 23 69.464 68.707 0.757 1
1 192 . 20 1 1 A 23 23 THR C C 23 174.304 174.908 -0.604 1
1 193 . 20 1 1 A 24 24 HIS N N 24 118.243 120.124 -1.881 1
1 194 . 20 1 1 A 24 24 HIS H H 24 7.673 8.119 -0.446 1
1 195 . 20 1 1 A 24 24 HIS CA C 24 55.567 54.697 0.870 1
1 196 . 20 1 1 A 24 24 HIS HA H 24 4.801 4.942 -0.141 1
1 197 . 20 1 1 A 24 24 HIS CB C 24 33.368 31.978 1.390 1
1 203 . 20 1 1 A 24 24 HIS C C 24 175.494 176.203 -0.709 1
1 205 . 20 1 1 A 25 25 LYS N N 25 127.606 123.192 4.414 1
1 206 . 20 1 1 A 25 25 LYS H H 25 8.431 8.150 0.281 1
1 207 . 20 1 1 A 25 25 LYS CA C 25 59.580 58.372 1.208 1
1 208 . 20 1 1 A 25 25 LYS HA H 25 2.970 3.008 -0.038 1
1 209 . 20 1 1 A 25 25 LYS CB C 25 31.932 31.245 0.687 1
1 216 . 20 1 1 A 25 25 LYS C C 25 178.019 178.025 -0.006 1
1 221 . 20 1 1 A 26 26 THR N N 26 111.783 116.286 -4.503 1
1 222 . 20 1 1 A 26 26 THR H H 26 8.670 7.708 0.962 1
1 223 . 20 1 1 A 26 26 THR CA C 26 65.774 67.092 -1.318 1
1 224 . 20 1 1 A 26 26 THR HA H 26 3.753 3.722 0.031 1
1 225 . 20 1 1 A 26 26 THR CB C 26 68.322 68.429 -0.107 1
1 231 . 20 1 1 A 26 26 THR C C 26 176.052 176.336 -0.284 1
1 232 . 20 1 1 A 27 27 ASN N N 27 116.833 118.862 -2.029 1
1 233 . 20 1 1 A 27 27 ASN H H 27 6.988 8.346 -1.358 1
1 234 . 20 1 1 A 27 27 ASN CA C 27 55.638 56.364 -0.726 1
1 235 . 20 1 1 A 27 27 ASN HA H 27 4.441 4.412 0.029 1
1 236 . 20 1 1 A 27 27 ASN CB C 27 38.215 37.951 0.264 1
1 241 . 20 1 1 A 27 27 ASN C C 27 177.347 177.735 -0.388 1
1 243 . 20 1 1 A 28 28 LEU N N 28 122.994 121.096 1.898 1
1 244 . 20 1 1 A 28 28 LEU H H 28 6.999 7.441 -0.442 1
1 245 . 20 1 1 A 28 28 LEU CA C 28 57.966 57.969 -0.003 1
1 246 . 20 1 1 A 28 28 LEU HA H 28 2.973 2.494 0.479 1
1 247 . 20 1 1 A 28 28 LEU CB C 28 40.441 41.624 -1.183 1
1 259 . 20 1 1 A 28 28 LEU C C 28 177.008 178.426 -1.418 1
1 261 . 20 1 1 A 29 29 ILE N N 29 119.568 119.298 0.270 1
1 262 . 20 1 1 A 29 29 ILE H H 29 7.936 7.755 0.181 1
1 263 . 20 1 1 A 29 29 ILE CA C 29 64.632 65.356 -0.724 1
1 264 . 20 1 1 A 29 29 ILE HA H 29 3.709 3.507 0.202 1
1 265 . 20 1 1 A 29 29 ILE CB C 29 37.474 37.812 -0.338 1
1 277 . 20 1 1 A 29 29 ILE C C 29 179.171 178.178 0.993 1
1 279 . 20 1 1 A 30 30 ILE N N 30 119.207 120.709 -1.502 1
1 280 . 20 1 1 A 30 30 ILE H H 30 7.589 7.837 -0.248 1
1 281 . 20 1 1 A 30 30 ILE CA C 30 64.891 64.649 0.242 1
1 282 . 20 1 1 A 30 30 ILE HA H 30 3.617 3.548 0.069 1
1 283 . 20 1 1 A 30 30 ILE CB C 30 38.513 37.473 1.040 1
1 295 . 20 1 1 A 30 30 ILE C C 30 178.757 178.445 0.312 1
1 297 . 20 1 1 A 31 31 HIS N N 31 119.828 119.976 -0.148 1
1 298 . 20 1 1 A 31 31 HIS H H 31 7.534 7.985 -0.451 1
1 299 . 20 1 1 A 31 31 HIS CA C 31 59.278 59.473 -0.195 1
1 300 . 20 1 1 A 31 31 HIS HA H 31 4.193 4.199 -0.006 1
1 301 . 20 1 1 A 31 31 HIS CB C 31 28.635 29.814 -1.179 1
1 307 . 20 1 1 A 31 31 HIS C C 31 176.316 176.960 -0.644 1
1 309 . 20 1 1 A 32 32 GLN N N 32 115.270 117.295 -2.025 1
1 310 . 20 1 1 A 32 32 GLN H H 32 8.431 8.381 0.050 1
1 311 . 20 1 1 A 32 32 GLN CA C 32 59.504 59.242 0.262 1
1 312 . 20 1 1 A 32 32 GLN HA H 32 3.661 3.763 -0.102 1
1 313 . 20 1 1 A 32 32 GLN CB C 32 28.316 28.360 -0.044 1
1 320 . 20 1 1 A 32 32 GLN C C 32 177.585 178.522 -0.937 1
1 323 . 20 1 1 A 33 33 LYS N N 33 117.874 119.361 -1.487 1
1 324 . 20 1 1 A 33 33 LYS H H 33 7.208 7.583 -0.375 1
1 325 . 20 1 1 A 33 33 LYS CA C 33 58.591 58.790 -0.199 1
1 326 . 20 1 1 A 33 33 LYS HA H 33 4.110 4.010 0.100 1
1 327 . 20 1 1 A 33 33 LYS CB C 33 32.257 32.526 -0.269 1
1 335 . 20 1 1 A 33 33 LYS C C 33 178.936 179.049 -0.113 1
1 340 . 20 1 1 A 34 34 ILE N N 34 116.468 116.782 -0.314 1
1 341 . 20 1 1 A 34 34 ILE H H 34 7.885 7.888 -0.003 1
1 342 . 20 1 1 A 34 34 ILE CA C 34 63.144 64.215 -1.071 1
1 343 . 20 1 1 A 34 34 ILE HA H 34 3.968 4.029 -0.061 1
1 344 . 20 1 1 A 34 34 ILE CB C 34 37.733 36.976 0.757 1
1 356 . 20 1 1 A 34 34 ILE C C 34 177.569 178.188 -0.619 1
1 358 . 20 1 1 A 35 35 HIS N N 35 117.615 120.753 -3.138 1
1 359 . 20 1 1 A 35 35 HIS H H 35 7.189 8.155 -0.966 1
1 360 . 20 1 1 A 35 35 HIS CA C 35 55.293 59.852 -4.559 1
1 361 . 20 1 1 A 35 35 HIS HA H 35 4.851 4.263 0.588 1
1 362 . 20 1 1 A 35 35 HIS CB C 35 28.494 30.843 -2.349 1
1 368 . 20 1 1 A 35 35 HIS C C 35 175.810 177.848 -2.038 1
1 370 . 20 1 1 A 36 36 THR N N 36 111.886 113.784 -1.898 1
1 371 . 20 1 1 A 36 36 THR H H 36 7.768 7.583 0.185 1
1 372 . 20 1 1 A 36 36 THR CA C 36 62.648 64.890 -2.242 1
1 373 . 20 1 1 A 36 36 THR HA H 36 4.341 4.098 0.243 1
1 374 . 20 1 1 A 36 36 THR CB C 36 69.832 69.852 -0.020 1
1 380 . 20 1 1 A 36 36 THR C C 36 175.433 174.622 0.811 1
1 381 . 20 1 1 A 37 37 GLY N N 37 110.507 108.164 2.343 1
1 382 . 20 1 1 A 37 37 GLY H H 37 8.214 8.114 0.100 1
1 383 . 20 1 1 A 37 37 GLY CA C 37 45.365 44.136 1.229 1
1 384 . 20 1 1 A 37 37 GLY HA3 H 37 4.013 4.088 -0.075 1
1 385 . 20 1 1 A 37 37 GLY C C 37 174.057 173.486 0.571 1
1 386 . 20 1 1 A 37 37 GLY HA2 H 37 3.972 4.080 -0.108 1
1 387 . 20 1 1 A 38 38 GLU N N 38 120.478 117.472 3.006 1
1 388 . 20 1 1 A 38 38 GLU H H 38 8.114 8.766 -0.652 1
1 389 . 20 1 1 A 38 38 GLU CA C 38 56.517 57.283 -0.766 1
1 390 . 20 1 1 A 38 38 GLU HA H 38 4.258 3.816 0.442 1
1 391 . 20 1 1 A 38 38 GLU CB C 38 30.505 27.797 2.708 1
1 395 . 20 1 1 A 38 38 GLU C C 38 176.260 174.931 1.329 1
1 398 . 20 1 1 A 39 39 ARG N N 39 123.108 115.225 7.883 1
1 399 . 20 1 1 A 39 39 ARG H H 39 8.347 7.628 0.719 1
1 400 . 20 1 1 A 39 39 ARG CA C 39 53.836 53.612 0.224 1
1 401 . 20 1 1 A 39 39 ARG HA H 39 4.641 4.928 -0.287 1
1 402 . 20 1 1 A 39 39 ARG CB C 39 30.295 32.736 -2.441 1
1 408 . 20 1 1 A 39 39 ARG C C 39 174.196 173.701 0.495 1
1 412 . 20 1 1 A 40 40 PRO CA C 40 63.247 62.912 0.335 1
1 413 . 20 1 1 A 40 40 PRO HA H 40 4.475 4.649 -0.174 1
1 414 . 20 1 1 A 40 40 PRO CB C 40 32.174 31.569 0.605 1
1 423 . 20 1 1 A 41 41 SER N N 41 116.362 117.434 -1.072 1
1 424 . 20 1 1 A 41 41 SER H H 41 8.471 8.470 0.001 1
1 425 . 20 1 1 A 41 41 SER CA C 41 58.579 59.629 -1.050 1
1 426 . 20 1 1 A 41 41 SER HA H 41 4.503 4.305 0.198 1
1 427 . 20 1 1 A 41 41 SER CB C 41 63.945 62.925 1.020 1
1 430 . 20 1 1 A 42 42 GLY CA C 42 44.665 45.778 -1.113 1
1 431 . 20 1 1 A 42 42 GLY HA3 H 42 4.158 4.081 0.077 1
1 432 . 20 1 1 A 42 42 GLY HA2 H 42 4.116 4.079 0.037 1
1 433 . 20 1 1 A 43 43 PRO CA C 43 63.255 62.678 0.577 1
1 434 . 20 1 1 A 43 43 PRO HA H 43 4.474 4.305 0.169 1
1 435 . 20 1 1 A 43 43 PRO CB C 43 32.218 32.613 -0.395 1
1 444 . 20 1 1 A 45 45 SER CA C 45 58.342 59.712 -1.370 1
1 445 . 20 1 1 A 45 45 SER HA H 45 4.495 4.324 0.171 1
1 446 . 20 1 1 A 45 45 SER CB C 45 63.915 62.888 1.027 1
1 447 . 20 1 1 A 45 45 SER C C 45 173.905 174.432 -0.527 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 33 0.998 1
2 1 1 1 "RMS(OBS, PRED)" CA 38 1.357 1
3 1 1 1 "RMS(OBS, PRED)" CB 33 1.390 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.522 1
5 1 1 1 "RMS(OBS, PRED)" HA 43 0.303 1
6 1 1 1 "RMS(OBS, PRED)" N 32 2.908 1
7 1 2 1 "RMS(OBS, PRED)" C 33 0.999 1
8 1 2 1 "RMS(OBS, PRED)" CA 38 1.414 1
9 1 2 1 "RMS(OBS, PRED)" CB 33 1.651 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.518 1
11 1 2 1 "RMS(OBS, PRED)" HA 43 0.273 1
12 1 2 1 "RMS(OBS, PRED)" N 32 3.272 1
13 1 3 1 "RMS(OBS, PRED)" C 33 1.012 1
14 1 3 1 "RMS(OBS, PRED)" CA 38 1.134 1
15 1 3 1 "RMS(OBS, PRED)" CB 33 1.358 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.559 1
17 1 3 1 "RMS(OBS, PRED)" HA 43 0.282 1
18 1 3 1 "RMS(OBS, PRED)" N 32 2.872 1
19 1 4 1 "RMS(OBS, PRED)" C 33 0.996 1
20 1 4 1 "RMS(OBS, PRED)" CA 38 1.486 1
21 1 4 1 "RMS(OBS, PRED)" CB 33 1.500 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.532 1
23 1 4 1 "RMS(OBS, PRED)" HA 43 0.303 1
24 1 4 1 "RMS(OBS, PRED)" N 32 3.089 1
25 1 5 1 "RMS(OBS, PRED)" C 33 1.101 1
26 1 5 1 "RMS(OBS, PRED)" CA 38 1.218 1
27 1 5 1 "RMS(OBS, PRED)" CB 33 1.744 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.543 1
29 1 5 1 "RMS(OBS, PRED)" HA 43 0.333 1
30 1 5 1 "RMS(OBS, PRED)" N 32 2.926 1
31 1 6 1 "RMS(OBS, PRED)" C 33 1.002 1
32 1 6 1 "RMS(OBS, PRED)" CA 38 1.302 1
33 1 6 1 "RMS(OBS, PRED)" CB 33 1.488 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.549 1
35 1 6 1 "RMS(OBS, PRED)" HA 43 0.321 1
36 1 6 1 "RMS(OBS, PRED)" N 32 3.291 1
37 1 7 1 "RMS(OBS, PRED)" C 33 0.836 1
38 1 7 1 "RMS(OBS, PRED)" CA 38 1.303 1
39 1 7 1 "RMS(OBS, PRED)" CB 33 1.551 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.505 1
41 1 7 1 "RMS(OBS, PRED)" HA 43 0.263 1
42 1 7 1 "RMS(OBS, PRED)" N 32 2.862 1
43 1 8 1 "RMS(OBS, PRED)" C 33 0.986 1
44 1 8 1 "RMS(OBS, PRED)" CA 38 1.341 1
45 1 8 1 "RMS(OBS, PRED)" CB 33 1.333 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.489 1
47 1 8 1 "RMS(OBS, PRED)" HA 43 0.286 1
48 1 8 1 "RMS(OBS, PRED)" N 32 3.219 1
49 1 9 1 "RMS(OBS, PRED)" C 33 0.815 1
50 1 9 1 "RMS(OBS, PRED)" CA 38 1.265 1
51 1 9 1 "RMS(OBS, PRED)" CB 33 1.504 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.562 1
53 1 9 1 "RMS(OBS, PRED)" HA 43 0.280 1
54 1 9 1 "RMS(OBS, PRED)" N 32 2.790 1
55 1 10 1 "RMS(OBS, PRED)" C 33 1.012 1
56 1 10 1 "RMS(OBS, PRED)" CA 38 1.202 1
57 1 10 1 "RMS(OBS, PRED)" CB 33 1.371 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.506 1
59 1 10 1 "RMS(OBS, PRED)" HA 43 0.310 1
60 1 10 1 "RMS(OBS, PRED)" N 32 3.310 1
61 1 11 1 "RMS(OBS, PRED)" C 33 0.999 1
62 1 11 1 "RMS(OBS, PRED)" CA 38 1.117 1
63 1 11 1 "RMS(OBS, PRED)" CB 33 1.422 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.509 1
65 1 11 1 "RMS(OBS, PRED)" HA 43 0.290 1
66 1 11 1 "RMS(OBS, PRED)" N 32 2.979 1
67 1 12 1 "RMS(OBS, PRED)" C 33 0.927 1
68 1 12 1 "RMS(OBS, PRED)" CA 38 1.171 1
69 1 12 1 "RMS(OBS, PRED)" CB 33 1.498 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.490 1
71 1 12 1 "RMS(OBS, PRED)" HA 43 0.327 1
72 1 12 1 "RMS(OBS, PRED)" N 32 3.157 1
73 1 13 1 "RMS(OBS, PRED)" C 33 0.986 1
74 1 13 1 "RMS(OBS, PRED)" CA 38 1.189 1
75 1 13 1 "RMS(OBS, PRED)" CB 33 1.410 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.499 1
77 1 13 1 "RMS(OBS, PRED)" HA 43 0.261 1
78 1 13 1 "RMS(OBS, PRED)" N 32 2.825 1
79 1 14 1 "RMS(OBS, PRED)" C 33 0.907 1
80 1 14 1 "RMS(OBS, PRED)" CA 38 1.532 1
81 1 14 1 "RMS(OBS, PRED)" CB 33 1.358 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.500 1
83 1 14 1 "RMS(OBS, PRED)" HA 43 0.271 1
84 1 14 1 "RMS(OBS, PRED)" N 32 3.107 1
85 1 15 1 "RMS(OBS, PRED)" C 33 0.897 1
86 1 15 1 "RMS(OBS, PRED)" CA 38 1.229 1
87 1 15 1 "RMS(OBS, PRED)" CB 33 1.425 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.521 1
89 1 15 1 "RMS(OBS, PRED)" HA 43 0.278 1
90 1 15 1 "RMS(OBS, PRED)" N 32 2.937 1
91 1 16 1 "RMS(OBS, PRED)" C 33 1.046 1
92 1 16 1 "RMS(OBS, PRED)" CA 38 1.322 1
93 1 16 1 "RMS(OBS, PRED)" CB 33 1.472 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.535 1
95 1 16 1 "RMS(OBS, PRED)" HA 43 0.299 1
96 1 16 1 "RMS(OBS, PRED)" N 32 3.133 1
97 1 17 1 "RMS(OBS, PRED)" C 33 0.987 1
98 1 17 1 "RMS(OBS, PRED)" CA 38 1.405 1
99 1 17 1 "RMS(OBS, PRED)" CB 33 1.552 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.501 1
101 1 17 1 "RMS(OBS, PRED)" HA 43 0.330 1
102 1 17 1 "RMS(OBS, PRED)" N 32 3.109 1
103 1 18 1 "RMS(OBS, PRED)" C 33 0.699 1
104 1 18 1 "RMS(OBS, PRED)" CA 38 1.399 1
105 1 18 1 "RMS(OBS, PRED)" CB 33 1.315 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.525 1
107 1 18 1 "RMS(OBS, PRED)" HA 43 0.284 1
108 1 18 1 "RMS(OBS, PRED)" N 32 3.311 1
109 1 19 1 "RMS(OBS, PRED)" C 33 0.934 1
110 1 19 1 "RMS(OBS, PRED)" CA 38 1.388 1
111 1 19 1 "RMS(OBS, PRED)" CB 33 1.382 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.604 1
113 1 19 1 "RMS(OBS, PRED)" HA 43 0.257 1
114 1 19 1 "RMS(OBS, PRED)" N 32 3.830 1
115 1 20 1 "RMS(OBS, PRED)" C 33 0.878 1
116 1 20 1 "RMS(OBS, PRED)" CA 38 1.480 1
117 1 20 1 "RMS(OBS, PRED)" CB 33 1.457 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.528 1
119 1 20 1 "RMS(OBS, PRED)" HA 43 0.275 1
120 1 20 1 "RMS(OBS, PRED)" N 32 3.465 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 45.450 45.767 -0.317 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.030 4.079 -0.049 2
1 3 . 1 1 A 7 7 GLY HA2 H 7 4.030 4.078 -0.048 2
1 4 . 1 1 A 8 8 THR N N 8 112.777 114.781 -2.004 2
1 5 . 1 1 A 8 8 THR H H 8 8.142 8.251 -0.109 2
1 6 . 1 1 A 8 8 THR CA C 8 61.874 62.057 -0.183 2
1 7 . 1 1 A 8 8 THR HA H 8 4.374 4.468 -0.094 2
1 8 . 1 1 A 8 8 THR CB C 8 69.838 69.593 0.245 2
1 14 . 1 1 A 8 8 THR C C 8 174.631 174.378 0.253 2
1 15 . 1 1 A 9 9 GLY N N 9 110.604 111.751 -1.147 2
1 16 . 1 1 A 9 9 GLY H H 9 8.219 8.427 -0.208 2
1 17 . 1 1 A 9 9 GLY CA C 9 45.339 46.019 -0.680 2
1 18 . 1 1 A 9 9 GLY HA3 H 9 3.974 4.017 -0.043 2
1 19 . 1 1 A 9 9 GLY C C 9 173.976 173.706 0.270 2
1 20 . 1 1 A 9 9 GLY HA2 H 9 3.929 4.015 -0.086 2
1 21 . 1 1 A 10 10 GLU N N 10 120.077 120.694 -0.617 2
1 22 . 1 1 A 10 10 GLU H H 10 8.193 8.264 -0.071 2
1 23 . 1 1 A 10 10 GLU CA C 10 56.334 56.154 0.180 2
1 24 . 1 1 A 10 10 GLU HA H 10 4.257 4.510 -0.253 2
1 25 . 1 1 A 10 10 GLU CB C 10 30.542 30.225 0.317 2
1 29 . 1 1 A 10 10 GLU C C 10 175.869 175.570 0.299 2
1 32 . 1 1 A 11 11 ASN N N 11 120.072 120.562 -0.490 2
1 33 . 1 1 A 11 11 ASN H H 11 8.365 8.185 0.180 2
1 34 . 1 1 A 11 11 ASN CA C 11 51.358 50.734 0.624 2
1 35 . 1 1 A 11 11 ASN HA H 11 4.872 5.019 -0.147 2
1 36 . 1 1 A 11 11 ASN CB C 11 39.215 39.616 -0.401 2
1 41 . 1 1 A 11 11 ASN C C 11 173.417 175.053 -1.636 2
1 43 . 1 1 A 12 12 PRO CA C 12 63.071 64.567 -1.496 2
1 44 . 1 1 A 12 12 PRO HA H 12 4.304 4.081 0.223 2
1 45 . 1 1 A 12 12 PRO CB C 12 32.343 31.860 0.483 2
1 51 . 1 1 A 12 12 PRO C C 12 175.981 175.925 0.056 2
1 55 . 1 1 A 13 13 PHE N N 13 119.314 115.861 3.453 2
1 56 . 1 1 A 13 13 PHE H H 13 8.292 7.518 0.774 2
1 57 . 1 1 A 13 13 PHE CA C 13 57.055 56.438 0.617 2
1 58 . 1 1 A 13 13 PHE HA H 13 4.705 5.157 -0.452 2
1 59 . 1 1 A 13 13 PHE CB C 13 39.402 43.419 -4.017 2
1 71 . 1 1 A 13 13 PHE C C 13 174.054 174.282 -0.228 2
1 73 . 1 1 A 14 14 ILE N N 14 122.850 121.402 1.448 2
1 74 . 1 1 A 14 14 ILE H H 14 8.311 8.783 -0.472 2
1 75 . 1 1 A 14 14 ILE CA C 14 59.824 59.794 0.030 2
1 76 . 1 1 A 14 14 ILE HA H 14 4.848 5.087 -0.239 2
1 77 . 1 1 A 14 14 ILE CB C 14 41.237 41.798 -0.561 2
1 89 . 1 1 A 14 14 ILE C C 14 175.774 175.081 0.693 2
1 91 . 1 1 A 15 15 CYS N N 15 129.055 127.118 1.937 2
1 92 . 1 1 A 15 15 CYS H H 15 9.276 8.818 0.458 2
1 93 . 1 1 A 15 15 CYS CA C 15 59.920 58.966 0.954 2
1 94 . 1 1 A 15 15 CYS HA H 15 4.586 4.663 -0.077 2
1 95 . 1 1 A 15 15 CYS CB C 15 29.432 28.510 0.922 2
1 97 . 1 1 A 15 15 CYS C C 15 177.331 175.757 1.574 2
1 99 . 1 1 A 16 16 SER N N 16 114.664 122.700 -8.036 2
1 100 . 1 1 A 16 16 SER H H 16 9.283 8.785 0.498 2
1 101 . 1 1 A 16 16 SER CA C 16 61.085 59.633 1.452 2
1 102 . 1 1 A 16 16 SER HA H 16 4.215 4.437 -0.222 2
1 103 . 1 1 A 16 16 SER CB C 16 63.030 63.016 0.014 2
1 105 . 1 1 A 16 16 SER C C 16 174.495 175.673 -1.178 2
1 107 . 1 1 A 17 17 GLU N N 17 122.474 120.913 1.561 2
1 108 . 1 1 A 17 17 GLU H H 17 8.603 8.010 0.593 2
1 109 . 1 1 A 17 17 GLU CA C 17 58.006 57.917 0.089 2
1 110 . 1 1 A 17 17 GLU HA H 17 4.251 4.208 0.043 2
1 111 . 1 1 A 17 17 GLU CB C 17 29.542 30.501 -0.959 2
1 115 . 1 1 A 17 17 GLU C C 17 177.153 177.898 -0.745 2
1 118 . 1 1 A 18 18 CYS N N 18 114.558 114.825 -0.267 2
1 119 . 1 1 A 18 18 CYS H H 18 7.882 7.982 -0.100 2
1 120 . 1 1 A 18 18 CYS CA C 18 58.430 59.754 -1.324 2
1 121 . 1 1 A 18 18 CYS HA H 18 5.183 4.624 0.559 2
1 122 . 1 1 A 18 18 CYS CB C 18 32.630 29.637 2.993 2
1 124 . 1 1 A 18 18 CYS C C 18 176.361 175.397 0.964 2
1 126 . 1 1 A 19 19 GLY N N 19 113.615 110.035 3.580 2
1 127 . 1 1 A 19 19 GLY H H 19 8.332 8.128 0.204 2
1 128 . 1 1 A 19 19 GLY CA C 19 46.106 45.343 0.763 2
1 129 . 1 1 A 19 19 GLY HA3 H 19 3.733 4.085 -0.352 2
1 130 . 1 1 A 19 19 GLY C C 19 173.422 174.366 -0.944 2
1 131 . 1 1 A 19 19 GLY HA2 H 19 4.186 4.071 0.115 2
1 132 . 1 1 A 20 20 LYS N N 20 122.607 120.958 1.649 2
1 133 . 1 1 A 20 20 LYS H H 20 7.917 7.777 0.140 2
1 134 . 1 1 A 20 20 LYS CA C 20 58.336 54.861 3.475 2
1 135 . 1 1 A 20 20 LYS HA H 20 3.994 4.579 -0.585 2
1 136 . 1 1 A 20 20 LYS CB C 20 33.765 34.252 -0.486 2
1 144 . 1 1 A 20 20 LYS C C 20 174.018 175.079 -1.061 2
1 149 . 1 1 A 21 21 VAL N N 21 119.988 125.309 -5.321 2
1 150 . 1 1 A 21 21 VAL H H 21 7.622 8.372 -0.750 2
1 151 . 1 1 A 21 21 VAL CA C 21 61.260 61.034 0.226 2
1 152 . 1 1 A 21 21 VAL HA H 21 4.565 5.043 -0.478 2
1 153 . 1 1 A 21 21 VAL CB C 21 33.625 33.197 0.428 2
1 163 . 1 1 A 21 21 VAL C C 21 175.348 174.494 0.854 2
1 164 . 1 1 A 22 22 PHE N N 22 122.931 125.750 -2.819 2
1 165 . 1 1 A 22 22 PHE H H 22 8.909 8.912 -0.003 2
1 166 . 1 1 A 22 22 PHE CA C 22 57.177 56.425 0.752 2
1 167 . 1 1 A 22 22 PHE HA H 22 4.774 4.926 -0.151 2
1 168 . 1 1 A 22 22 PHE CB C 22 42.896 42.502 0.394 2
1 180 . 1 1 A 22 22 PHE C C 22 175.213 176.048 -0.835 2
1 182 . 1 1 A 23 23 THR N N 23 113.904 116.727 -2.823 2
1 183 . 1 1 A 23 23 THR H H 23 8.911 8.773 0.138 2
1 184 . 1 1 A 23 23 THR CA C 23 63.768 65.098 -1.330 2
1 185 . 1 1 A 23 23 THR HA H 23 4.347 4.365 -0.018 2
1 186 . 1 1 A 23 23 THR CB C 23 69.464 69.089 0.375 2
1 192 . 1 1 A 23 23 THR C C 23 174.304 174.855 -0.551 2
1 193 . 1 1 A 24 24 HIS N N 24 118.243 119.374 -1.131 2
1 194 . 1 1 A 24 24 HIS H H 24 7.673 7.979 -0.306 2
1 195 . 1 1 A 24 24 HIS CA C 24 55.567 54.563 1.004 2
1 196 . 1 1 A 24 24 HIS HA H 24 4.801 4.908 -0.107 2
1 197 . 1 1 A 24 24 HIS CB C 24 33.368 31.777 1.591 2
1 203 . 1 1 A 24 24 HIS C C 24 175.494 175.350 0.144 2
1 205 . 1 1 A 25 25 LYS N N 25 127.606 123.884 3.722 2
1 206 . 1 1 A 25 25 LYS H H 25 8.431 8.358 0.073 2
1 207 . 1 1 A 25 25 LYS CA C 25 59.580 59.199 0.381 2
1 208 . 1 1 A 25 25 LYS HA H 25 2.970 3.081 -0.111 2
1 209 . 1 1 A 25 25 LYS CB C 25 31.932 31.494 0.438 2
1 216 . 1 1 A 25 25 LYS C C 25 178.019 177.969 0.050 2
1 221 . 1 1 A 26 26 THR N N 26 111.783 115.913 -4.130 2
1 222 . 1 1 A 26 26 THR H H 26 8.670 7.810 0.860 2
1 223 . 1 1 A 26 26 THR CA C 26 65.774 66.670 -0.896 2
1 224 . 1 1 A 26 26 THR HA H 26 3.753 3.825 -0.072 2
1 225 . 1 1 A 26 26 THR CB C 26 68.322 68.408 -0.086 2
1 231 . 1 1 A 26 26 THR C C 26 176.052 176.511 -0.459 2
1 232 . 1 1 A 27 27 ASN N N 27 116.833 119.477 -2.644 2
1 233 . 1 1 A 27 27 ASN H H 27 6.988 8.269 -1.281 2
1 234 . 1 1 A 27 27 ASN CA C 27 55.638 56.445 -0.807 2
1 235 . 1 1 A 27 27 ASN HA H 27 4.441 4.429 0.012 2
1 236 . 1 1 A 27 27 ASN CB C 27 38.215 38.602 -0.387 2
1 241 . 1 1 A 27 27 ASN C C 27 177.347 177.463 -0.116 2
1 243 . 1 1 A 28 28 LEU N N 28 122.994 119.960 3.035 2
1 244 . 1 1 A 28 28 LEU H H 28 6.999 7.405 -0.406 2
1 245 . 1 1 A 28 28 LEU CA C 28 57.966 57.587 0.379 2
1 246 . 1 1 A 28 28 LEU HA H 28 2.973 2.532 0.441 2
1 247 . 1 1 A 28 28 LEU CB C 28 40.441 41.298 -0.857 2
1 259 . 1 1 A 28 28 LEU C C 28 177.008 178.305 -1.297 2
1 261 . 1 1 A 29 29 ILE N N 29 119.568 119.602 -0.034 2
1 262 . 1 1 A 29 29 ILE H H 29 7.936 7.962 -0.026 2
1 263 . 1 1 A 29 29 ILE CA C 29 64.632 65.229 -0.597 2
1 264 . 1 1 A 29 29 ILE HA H 29 3.709 3.591 0.118 2
1 265 . 1 1 A 29 29 ILE CB C 29 37.474 37.744 -0.270 2
1 277 . 1 1 A 29 29 ILE C C 29 179.171 178.284 0.887 2
1 279 . 1 1 A 30 30 ILE N N 30 119.207 120.796 -1.589 2
1 280 . 1 1 A 30 30 ILE H H 30 7.589 7.879 -0.290 2
1 281 . 1 1 A 30 30 ILE CA C 30 64.891 64.577 0.314 2
1 282 . 1 1 A 30 30 ILE HA H 30 3.617 3.618 -0.001 2
1 283 . 1 1 A 30 30 ILE CB C 30 38.513 37.132 1.381 2
1 295 . 1 1 A 30 30 ILE C C 30 178.757 178.391 0.366 2
1 297 . 1 1 A 31 31 HIS N N 31 119.828 120.226 -0.398 2
1 298 . 1 1 A 31 31 HIS H H 31 7.534 7.899 -0.365 2
1 299 . 1 1 A 31 31 HIS CA C 31 59.278 59.754 -0.476 2
1 300 . 1 1 A 31 31 HIS HA H 31 4.193 4.152 0.041 2
1 301 . 1 1 A 31 31 HIS CB C 31 28.635 29.766 -1.131 2
1 307 . 1 1 A 31 31 HIS C C 31 176.316 177.090 -0.774 2
1 309 . 1 1 A 32 32 GLN N N 32 115.270 117.627 -2.357 2
1 310 . 1 1 A 32 32 GLN H H 32 8.431 8.448 -0.017 2
1 311 . 1 1 A 32 32 GLN CA C 32 59.504 59.083 0.421 2
1 312 . 1 1 A 32 32 GLN HA H 32 3.661 3.969 -0.308 2
1 313 . 1 1 A 32 32 GLN CB C 32 28.316 28.402 -0.086 2
1 320 . 1 1 A 32 32 GLN C C 32 177.585 178.516 -0.931 2
1 323 . 1 1 A 33 33 LYS N N 33 117.874 119.487 -1.613 2
1 324 . 1 1 A 33 33 LYS H H 33 7.208 7.880 -0.672 2
1 325 . 1 1 A 33 33 LYS CA C 33 58.591 58.842 -0.251 2
1 326 . 1 1 A 33 33 LYS HA H 33 4.110 4.054 0.056 2
1 327 . 1 1 A 33 33 LYS CB C 33 32.257 32.324 -0.067 2
1 335 . 1 1 A 33 33 LYS C C 33 178.936 179.103 -0.167 2
1 340 . 1 1 A 34 34 ILE N N 34 116.468 116.530 -0.062 2
1 341 . 1 1 A 34 34 ILE H H 34 7.885 7.901 -0.016 2
1 342 . 1 1 A 34 34 ILE CA C 34 63.144 63.364 -0.220 2
1 343 . 1 1 A 34 34 ILE HA H 34 3.968 3.807 0.161 2
1 344 . 1 1 A 34 34 ILE CB C 34 37.733 37.159 0.574 2
1 356 . 1 1 A 34 34 ILE C C 34 177.569 176.885 0.684 2
1 358 . 1 1 A 35 35 HIS N N 35 117.615 119.656 -2.041 2
1 359 . 1 1 A 35 35 HIS H H 35 7.189 7.910 -0.721 2
1 360 . 1 1 A 35 35 HIS CA C 35 55.293 57.681 -2.388 2
1 361 . 1 1 A 35 35 HIS HA H 35 4.851 4.530 0.321 2
1 362 . 1 1 A 35 35 HIS CB C 35 28.494 30.906 -2.412 2
1 368 . 1 1 A 35 35 HIS C C 35 175.810 175.876 -0.066 2
1 370 . 1 1 A 36 36 THR N N 36 111.886 112.022 -0.136 2
1 371 . 1 1 A 36 36 THR H H 36 7.768 7.772 -0.004 2
1 372 . 1 1 A 36 36 THR CA C 36 62.648 61.959 0.689 2
1 373 . 1 1 A 36 36 THR HA H 36 4.341 4.397 -0.056 2
1 374 . 1 1 A 36 36 THR CB C 36 69.832 69.668 0.163 2
1 380 . 1 1 A 36 36 THR C C 36 175.433 174.602 0.831 2
1 381 . 1 1 A 37 37 GLY N N 37 110.507 111.661 -1.154 2
1 382 . 1 1 A 37 37 GLY H H 37 8.214 8.244 -0.030 2
1 383 . 1 1 A 37 37 GLY CA C 37 45.365 45.915 -0.550 2
1 384 . 1 1 A 37 37 GLY HA3 H 37 4.013 4.032 -0.019 2
1 385 . 1 1 A 37 37 GLY C C 37 174.057 173.865 0.192 2
1 386 . 1 1 A 37 37 GLY HA2 H 37 3.972 4.026 -0.054 2
1 387 . 1 1 A 38 38 GLU N N 38 120.478 119.891 0.587 2
1 388 . 1 1 A 38 38 GLU H H 38 8.114 8.269 -0.155 2
1 389 . 1 1 A 38 38 GLU CA C 38 56.517 56.094 0.423 2
1 390 . 1 1 A 38 38 GLU HA H 38 4.258 4.556 -0.298 2
1 391 . 1 1 A 38 38 GLU CB C 38 30.505 30.735 -0.230 2
1 395 . 1 1 A 38 38 GLU C C 38 176.260 175.730 0.530 2
1 398 . 1 1 A 39 39 ARG N N 39 123.108 121.312 1.796 2
1 399 . 1 1 A 39 39 ARG H H 39 8.347 8.239 0.108 2
1 400 . 1 1 A 39 39 ARG CA C 39 53.836 54.184 -0.348 2
1 401 . 1 1 A 39 39 ARG HA H 39 4.641 4.649 -0.008 2
1 402 . 1 1 A 39 39 ARG CB C 39 30.295 31.560 -1.265 2
1 408 . 1 1 A 39 39 ARG C C 39 174.196 174.806 -0.610 2
1 412 . 1 1 A 40 40 PRO CA C 40 63.247 63.270 -0.023 2
1 413 . 1 1 A 40 40 PRO HA H 40 4.475 4.552 -0.077 2
1 414 . 1 1 A 40 40 PRO CB C 40 32.174 31.955 0.219 2
1 423 . 1 1 A 41 41 SER N N 41 116.362 115.363 0.999 2
1 424 . 1 1 A 41 41 SER H H 41 8.471 8.350 0.121 2
1 425 . 1 1 A 41 41 SER CA C 41 58.579 58.718 -0.139 2
1 426 . 1 1 A 41 41 SER HA H 41 4.503 4.530 -0.027 2
1 427 . 1 1 A 41 41 SER CB C 41 63.945 63.500 0.445 2
1 430 . 1 1 A 42 42 GLY CA C 42 44.665 44.732 -0.067 2
1 431 . 1 1 A 42 42 GLY HA3 H 42 4.158 4.100 0.058 2
1 432 . 1 1 A 42 42 GLY HA2 H 42 4.116 4.099 0.017 2
1 433 . 1 1 A 43 43 PRO CA C 43 63.255 63.416 -0.161 2
1 434 . 1 1 A 43 43 PRO HA H 43 4.474 4.542 -0.068 2
1 435 . 1 1 A 43 43 PRO CB C 43 32.218 31.740 0.478 2
1 444 . 1 1 A 45 45 SER CA C 45 58.342 58.734 -0.393 2
1 445 . 1 1 A 45 45 SER HA H 45 4.495 4.537 -0.042 2
1 446 . 1 1 A 45 45 SER CB C 45 63.915 63.677 0.238 2
1 447 . 1 1 A 45 45 SER C C 45 173.905 174.609 -0.704 2
stop_
save_