data_10223_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10223
_Entry.PDB_ID 2YTR
_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 6 6 SER HA H 6 4.489 5.075 -0.586 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 3.885 4.031 -0.146 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.012 4.032 -0.020 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.367 44.261 1.106 1
1 5 . 1 1 1 A 8 8 THR HA H 8 4.329 5.196 -0.867 1
1 10 . 1 1 1 A 8 8 THR CA C 8 62.105 59.401 2.704 1
1 11 . 1 1 1 A 8 8 THR CB C 8 69.768 71.642 -1.874 1
1 13 . 1 1 1 A 9 9 GLY HA2 H 9 3.880 4.239 -0.359 1
1 14 . 1 1 1 A 9 9 GLY HA3 H 9 3.926 4.242 -0.316 1
1 15 . 1 1 1 A 9 9 GLY CA C 9 45.213 45.456 -0.243 1
1 16 . 1 1 1 A 10 10 GLU H H 10 8.181 8.404 -0.223 1
1 17 . 1 1 1 A 10 10 GLU HA H 10 4.130 5.099 -0.969 1
1 22 . 1 1 1 A 10 10 GLU CA C 10 56.831 55.330 1.501 1
1 23 . 1 1 1 A 10 10 GLU CB C 10 30.246 31.728 -1.482 1
1 25 . 1 1 1 A 10 10 GLU N N 10 120.199 121.768 -1.569 1
1 26 . 1 1 1 A 11 11 LYS H H 11 8.309 8.556 -0.247 1
1 27 . 1 1 1 A 11 11 LYS HA H 11 4.352 4.823 -0.471 1
1 36 . 1 1 1 A 11 11 LYS C C 11 174.507 176.681 -2.174 1
1 37 . 1 1 1 A 11 11 LYS CA C 11 53.748 54.234 -0.486 1
1 38 . 1 1 1 A 11 11 LYS CB C 11 33.171 32.273 0.898 1
1 42 . 1 1 1 A 11 11 LYS N N 11 121.525 122.692 -1.167 1
1 43 . 1 1 1 A 12 12 PRO HA H 12 4.174 4.529 -0.355 1
1 50 . 1 1 1 A 12 12 PRO C C 12 176.557 176.373 0.184 1
1 51 . 1 1 1 A 12 12 PRO CA C 12 63.551 64.570 -1.019 1
1 52 . 1 1 1 A 12 12 PRO CB C 12 32.242 31.674 0.568 1
1 55 . 1 1 1 A 13 13 TYR H H 13 7.676 8.064 -0.388 1
1 56 . 1 1 1 A 13 13 TYR HA H 13 4.750 4.812 -0.062 1
1 63 . 1 1 1 A 13 13 TYR C C 13 174.491 175.349 -0.858 1
1 64 . 1 1 1 A 13 13 TYR CA C 13 56.955 57.305 -0.350 1
1 65 . 1 1 1 A 13 13 TYR CB C 13 37.991 37.702 0.289 1
1 70 . 1 1 1 A 13 13 TYR N N 13 118.317 117.428 0.889 1
1 71 . 1 1 1 A 14 14 LYS H H 14 8.550 7.464 1.086 1
1 72 . 1 1 1 A 14 14 LYS HA H 14 4.909 4.974 -0.065 1
1 81 . 1 1 1 A 14 14 LYS C C 14 175.291 176.265 -0.974 1
1 82 . 1 1 1 A 14 14 LYS CA C 14 55.212 56.630 -1.418 1
1 83 . 1 1 1 A 14 14 LYS CB C 14 35.202 33.027 2.175 1
1 87 . 1 1 1 A 14 14 LYS N N 14 124.883 118.368 6.515 1
1 88 . 1 1 1 A 15 15 CYS H H 15 9.179 9.142 0.037 1
1 89 . 1 1 1 A 15 15 CYS HA H 15 4.479 4.597 -0.118 1
1 92 . 1 1 1 A 15 15 CYS C C 15 177.105 176.303 0.802 1
1 93 . 1 1 1 A 15 15 CYS CA C 15 59.396 59.673 -0.277 1
1 94 . 1 1 1 A 15 15 CYS CB C 15 29.557 28.607 0.950 1
1 95 . 1 1 1 A 15 15 CYS N N 15 126.023 121.723 4.300 1
1 96 . 1 1 1 A 16 16 ASN H H 16 9.374 8.911 0.463 1
1 97 . 1 1 1 A 16 16 ASN HA H 16 4.495 4.597 -0.102 1
1 102 . 1 1 1 A 16 16 ASN C C 16 175.408 177.281 -1.873 1
1 103 . 1 1 1 A 16 16 ASN CA C 16 55.627 55.492 0.135 1
1 104 . 1 1 1 A 16 16 ASN CB C 16 38.324 38.166 0.158 1
1 105 . 1 1 1 A 16 16 ASN N N 16 130.192 126.715 3.477 1
1 107 . 1 1 1 A 17 17 GLU H H 17 8.691 7.907 0.784 1
1 108 . 1 1 1 A 17 17 GLU HA H 17 4.198 4.015 0.183 1
1 113 . 1 1 1 A 17 17 GLU C C 17 177.098 178.325 -1.227 1
1 114 . 1 1 1 A 17 17 GLU CA C 17 58.381 58.935 -0.554 1
1 115 . 1 1 1 A 17 17 GLU CB C 17 29.486 29.794 -0.308 1
1 117 . 1 1 1 A 17 17 GLU N N 17 120.808 119.102 1.706 1
1 118 . 1 1 1 A 18 18 CYS H H 18 7.886 7.891 -0.005 1
1 119 . 1 1 1 A 18 18 CYS HA H 18 5.146 4.560 0.586 1
1 122 . 1 1 1 A 18 18 CYS C C 18 176.229 175.378 0.851 1
1 123 . 1 1 1 A 18 18 CYS CA C 18 58.295 59.908 -1.613 1
1 124 . 1 1 1 A 18 18 CYS CB C 18 32.487 29.438 3.049 1
1 125 . 1 1 1 A 18 18 CYS N N 18 114.653 114.865 -0.212 1
1 126 . 1 1 1 A 19 19 GLY H H 19 8.142 7.951 0.191 1
1 127 . 1 1 1 A 19 19 GLY HA2 H 19 3.765 4.050 -0.285 1
1 128 . 1 1 1 A 19 19 GLY HA3 H 19 4.228 4.062 0.166 1
1 129 . 1 1 1 A 19 19 GLY C C 19 173.689 174.331 -0.642 1
1 130 . 1 1 1 A 19 19 GLY CA C 19 46.178 45.618 0.560 1
1 131 . 1 1 1 A 19 19 GLY N N 19 113.359 109.827 3.532 1
1 132 . 1 1 1 A 20 20 LYS H H 20 7.980 7.695 0.285 1
1 133 . 1 1 1 A 20 20 LYS HA H 20 3.915 4.446 -0.531 1
1 142 . 1 1 1 A 20 20 LYS C C 20 173.709 175.012 -1.303 1
1 143 . 1 1 1 A 20 20 LYS CA C 20 58.301 54.661 3.640 1
1 144 . 1 1 1 A 20 20 LYS CB C 20 33.533 33.746 -0.213 1
1 148 . 1 1 1 A 20 20 LYS N N 20 123.220 120.868 2.352 1
1 149 . 1 1 1 A 21 21 ALA H H 21 7.773 8.702 -0.929 1
1 150 . 1 1 1 A 21 21 ALA HA H 21 5.085 5.149 -0.064 1
1 154 . 1 1 1 A 21 21 ALA C C 21 176.075 176.521 -0.446 1
1 155 . 1 1 1 A 21 21 ALA CA C 21 50.454 50.331 0.123 1
1 156 . 1 1 1 A 21 21 ALA CB C 21 22.302 20.541 1.761 1
1 157 . 1 1 1 A 21 21 ALA N N 21 124.199 129.101 -4.902 1
1 158 . 1 1 1 A 22 22 PHE H H 22 8.752 9.206 -0.454 1
1 159 . 1 1 1 A 22 22 PHE HA H 22 4.758 4.911 -0.153 1
1 167 . 1 1 1 A 22 22 PHE C C 22 175.610 176.101 -0.491 1
1 168 . 1 1 1 A 22 22 PHE CA C 22 57.189 57.025 0.164 1
1 169 . 1 1 1 A 22 22 PHE CB C 22 44.496 41.816 2.680 1
1 175 . 1 1 1 A 22 22 PHE N N 22 116.243 121.492 -5.249 1
1 176 . 1 1 1 A 23 23 SER HA H 23 4.703 4.464 0.239 1
1 179 . 1 1 1 A 23 23 SER CA C 23 59.910 60.484 -0.574 1
1 180 . 1 1 1 A 23 23 SER CB C 23 64.442 64.203 0.239 1
1 181 . 1 1 1 A 24 24 GLN H H 24 7.193 7.553 -0.360 1
1 182 . 1 1 1 A 24 24 GLN HA H 24 5.016 4.519 0.497 1
1 189 . 1 1 1 A 24 24 GLN CA C 24 54.212 54.183 0.029 1
1 190 . 1 1 1 A 24 24 GLN CB C 24 33.306 30.672 2.634 1
1 192 . 1 1 1 A 24 24 GLN N N 24 116.538 116.658 -0.120 1
1 194 . 1 1 1 A 25 25 THR HA H 25 3.308 3.778 -0.470 1
1 199 . 1 1 1 A 25 25 THR CA C 25 65.410 66.356 -0.946 1
1 200 . 1 1 1 A 25 25 THR CB C 25 67.602 68.562 -0.960 1
1 202 . 1 1 1 A 26 26 SER HA H 26 4.118 4.226 -0.108 1
1 205 . 1 1 1 A 26 26 SER C C 26 177.127 177.104 0.023 1
1 206 . 1 1 1 A 26 26 SER CA C 26 60.803 61.369 -0.566 1
1 207 . 1 1 1 A 26 26 SER CB C 26 61.469 62.598 -1.129 1
1 208 . 1 1 1 A 27 27 LYS H H 27 6.629 7.824 -1.195 1
1 209 . 1 1 1 A 27 27 LYS HA H 27 3.994 4.059 -0.065 1
1 218 . 1 1 1 A 27 27 LYS C C 27 178.777 178.668 0.109 1
1 219 . 1 1 1 A 27 27 LYS CA C 27 58.430 59.332 -0.902 1
1 220 . 1 1 1 A 27 27 LYS CB C 27 32.710 32.336 0.374 1
1 224 . 1 1 1 A 27 27 LYS N N 27 121.916 122.199 -0.283 1
1 225 . 1 1 1 A 28 28 LEU H H 28 7.010 7.424 -0.414 1
1 226 . 1 1 1 A 28 28 LEU HA H 28 3.123 1.856 1.267 1
1 236 . 1 1 1 A 28 28 LEU C C 28 177.314 177.623 -0.309 1
1 237 . 1 1 1 A 28 28 LEU CA C 28 57.755 57.359 0.396 1
1 238 . 1 1 1 A 28 28 LEU CB C 28 40.258 41.237 -0.979 1
1 242 . 1 1 1 A 28 28 LEU N N 28 122.007 121.204 0.803 1
1 243 . 1 1 1 A 29 29 ALA H H 29 8.109 8.192 -0.083 1
1 244 . 1 1 1 A 29 29 ALA HA H 29 4.132 4.024 0.108 1
1 248 . 1 1 1 A 29 29 ALA C C 29 180.600 179.202 1.398 1
1 249 . 1 1 1 A 29 29 ALA CA C 29 55.046 55.548 -0.502 1
1 250 . 1 1 1 A 29 29 ALA CB C 29 17.657 18.349 -0.692 1
1 251 . 1 1 1 A 29 29 ALA N N 29 120.851 120.557 0.294 1
1 252 . 1 1 1 A 30 30 ARG H H 30 7.359 7.841 -0.482 1
1 253 . 1 1 1 A 30 30 ARG HA H 30 3.923 4.009 -0.086 1
1 260 . 1 1 1 A 30 30 ARG C C 30 178.903 178.447 0.456 1
1 261 . 1 1 1 A 30 30 ARG CA C 30 58.961 58.520 0.441 1
1 262 . 1 1 1 A 30 30 ARG CB C 30 29.999 29.907 0.092 1
1 265 . 1 1 1 A 30 30 ARG N N 30 116.625 119.170 -2.545 1
1 266 . 1 1 1 A 31 31 HIS H H 31 7.521 7.970 -0.449 1
1 267 . 1 1 1 A 31 31 HIS HA H 31 4.176 4.277 -0.101 1
1 272 . 1 1 1 A 31 31 HIS C C 31 176.189 177.269 -1.080 1
1 273 . 1 1 1 A 31 31 HIS CA C 31 59.062 59.178 -0.116 1
1 274 . 1 1 1 A 31 31 HIS CB C 31 28.455 30.339 -1.884 1
1 277 . 1 1 1 A 31 31 HIS N N 31 119.368 119.569 -0.201 1
1 278 . 1 1 1 A 32 32 GLN H H 32 8.334 8.669 -0.335 1
1 279 . 1 1 1 A 32 32 GLN HA H 32 3.658 4.134 -0.476 1
1 286 . 1 1 1 A 32 32 GLN C C 32 177.410 178.678 -1.268 1
1 287 . 1 1 1 A 32 32 GLN CA C 32 59.343 59.033 0.310 1
1 288 . 1 1 1 A 32 32 GLN CB C 32 28.331 28.428 -0.097 1
1 290 . 1 1 1 A 32 32 GLN N N 32 115.359 118.485 -3.126 1
1 292 . 1 1 1 A 33 33 ARG H H 33 7.077 7.677 -0.600 1
1 293 . 1 1 1 A 33 33 ARG HA H 33 4.108 4.071 0.037 1
1 300 . 1 1 1 A 33 33 ARG C C 33 178.553 178.469 0.084 1
1 301 . 1 1 1 A 33 33 ARG CA C 33 58.250 58.721 -0.471 1
1 302 . 1 1 1 A 33 33 ARG CB C 33 29.969 30.056 -0.087 1
1 305 . 1 1 1 A 33 33 ARG N N 33 117.106 119.114 -2.008 1
1 306 . 1 1 1 A 34 34 ILE H H 34 7.777 7.757 0.020 1
1 307 . 1 1 1 A 34 34 ILE HA H 34 3.940 3.859 0.081 1
1 317 . 1 1 1 A 34 34 ILE C C 34 177.451 176.752 0.699 1
1 318 . 1 1 1 A 34 34 ILE CA C 34 63.117 63.006 0.111 1
1 319 . 1 1 1 A 34 34 ILE CB C 34 37.637 37.167 0.470 1
1 323 . 1 1 1 A 34 34 ILE N N 34 116.459 114.991 1.468 1
1 324 . 1 1 1 A 35 35 HIS H H 35 7.182 7.808 -0.626 1
1 325 . 1 1 1 A 35 35 HIS HA H 35 4.828 4.460 0.368 1
1 330 . 1 1 1 A 35 35 HIS C C 35 175.851 177.196 -1.345 1
1 331 . 1 1 1 A 35 35 HIS CA C 35 55.280 58.040 -2.760 1
1 332 . 1 1 1 A 35 35 HIS CB C 35 28.512 30.985 -2.473 1
1 335 . 1 1 1 A 35 35 HIS N N 35 117.602 119.502 -1.900 1
1 336 . 1 1 1 A 36 36 THR H H 36 7.747 7.482 0.265 1
1 337 . 1 1 1 A 36 36 THR HA H 36 4.331 4.288 0.043 1
1 342 . 1 1 1 A 36 36 THR C C 36 175.469 174.918 0.551 1
1 343 . 1 1 1 A 36 36 THR CA C 36 62.467 63.340 -0.873 1
1 344 . 1 1 1 A 36 36 THR CB C 36 69.824 69.292 0.532 1
1 346 . 1 1 1 A 36 36 THR N N 36 111.513 114.006 -2.493 1
1 347 . 1 1 1 A 37 37 GLY H H 37 8.182 7.837 0.345 1
1 348 . 1 1 1 A 37 37 GLY HA2 H 37 4.013 3.947 0.066 1
1 349 . 1 1 1 A 37 37 GLY HA3 H 37 3.918 3.957 -0.039 1
1 350 . 1 1 1 A 37 37 GLY C C 37 174.052 174.791 -0.739 1
1 351 . 1 1 1 A 37 37 GLY CA C 37 45.367 46.160 -0.793 1
1 352 . 1 1 1 A 37 37 GLY N N 37 110.535 109.396 1.139 1
1 353 . 1 1 1 A 38 38 GLU H H 38 8.052 7.976 0.076 1
1 354 . 1 1 1 A 38 38 GLU HA H 38 4.218 4.137 0.081 1
1 359 . 1 1 1 A 38 38 GLU CA C 38 56.434 58.468 -2.034 1
1 360 . 1 1 1 A 38 38 GLU CB C 38 30.328 30.637 -0.309 1
1 362 . 1 1 1 A 38 38 GLU N N 38 120.571 121.186 -0.615 1
1 363 . 1 1 1 A 39 39 LYS H H 39 8.389 7.690 0.699 1
1 364 . 1 1 1 A 39 39 LYS HA H 39 4.578 4.424 0.154 1
1 373 . 1 1 1 A 39 39 LYS C C 39 173.753 174.769 -1.016 1
1 374 . 1 1 1 A 39 39 LYS CA C 39 54.091 54.876 -0.785 1
1 375 . 1 1 1 A 39 39 LYS CB C 39 32.446 31.669 0.777 1
1 379 . 1 1 1 A 39 39 LYS N N 39 123.889 119.565 4.324 1
1 380 . 1 1 1 A 40 40 PRO HA H 40 4.438 4.608 -0.170 1
1 387 . 1 1 1 A 40 40 PRO CA C 40 63.206 62.555 0.651 1
1 388 . 1 1 1 A 40 40 PRO CB C 40 32.136 31.600 0.536 1
1 391 . 1 1 1 A 41 41 SER H H 41 8.460 8.579 -0.119 1
1 392 . 1 1 1 A 41 41 SER N N 41 116.511 118.048 -1.537 1
1 393 . 1 1 1 A 42 42 GLY HA2 H 42 4.109 4.100 0.009 1
1 394 . 1 1 1 A 42 42 GLY HA3 H 42 4.109 4.102 0.007 1
1 395 . 1 1 1 A 42 42 GLY CA C 42 44.689 45.516 -0.827 1
1 396 . 1 1 1 A 43 43 PRO HA H 43 4.440 4.548 -0.108 1
1 403 . 1 1 1 A 43 43 PRO CA C 43 63.206 62.579 0.627 1
1 404 . 1 1 1 A 43 43 PRO CB C 43 32.100 32.750 -0.650 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.489 5.106 -0.617 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 3.885 4.099 -0.214 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.012 4.099 -0.087 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.367 44.239 1.128 1
1 5 . 2 1 1 A 8 8 THR HA H 8 4.329 5.194 -0.865 1
1 10 . 2 1 1 A 8 8 THR CA C 8 62.105 59.287 2.818 1
1 11 . 2 1 1 A 8 8 THR CB C 8 69.768 71.517 -1.749 1
1 13 . 2 1 1 A 9 9 GLY HA2 H 9 3.880 4.169 -0.289 1
1 14 . 2 1 1 A 9 9 GLY HA3 H 9 3.926 4.170 -0.244 1
1 15 . 2 1 1 A 9 9 GLY CA C 9 45.213 45.809 -0.596 1
1 16 . 2 1 1 A 10 10 GLU H H 10 8.181 8.480 -0.299 1
1 17 . 2 1 1 A 10 10 GLU HA H 10 4.130 4.511 -0.381 1
1 22 . 2 1 1 A 10 10 GLU CA C 10 56.831 56.784 0.047 1
1 23 . 2 1 1 A 10 10 GLU CB C 10 30.246 30.162 0.084 1
1 25 . 2 1 1 A 10 10 GLU N N 10 120.199 121.037 -0.838 1
1 26 . 2 1 1 A 11 11 LYS H H 11 8.309 8.537 -0.228 1
1 27 . 2 1 1 A 11 11 LYS HA H 11 4.352 4.819 -0.467 1
1 36 . 2 1 1 A 11 11 LYS C C 11 174.507 176.719 -2.212 1
1 37 . 2 1 1 A 11 11 LYS CA C 11 53.748 54.270 -0.522 1
1 38 . 2 1 1 A 11 11 LYS CB C 11 33.171 32.283 0.888 1
1 42 . 2 1 1 A 11 11 LYS N N 11 121.525 120.909 0.616 1
1 43 . 2 1 1 A 12 12 PRO HA H 12 4.174 4.576 -0.402 1
1 50 . 2 1 1 A 12 12 PRO C C 12 176.557 176.126 0.431 1
1 51 . 2 1 1 A 12 12 PRO CA C 12 63.551 64.666 -1.115 1
1 52 . 2 1 1 A 12 12 PRO CB C 12 32.242 31.767 0.475 1
1 55 . 2 1 1 A 13 13 TYR H H 13 7.676 8.223 -0.547 1
1 56 . 2 1 1 A 13 13 TYR HA H 13 4.750 4.763 -0.013 1
1 63 . 2 1 1 A 13 13 TYR C C 13 174.491 174.837 -0.346 1
1 64 . 2 1 1 A 13 13 TYR CA C 13 56.955 57.030 -0.075 1
1 65 . 2 1 1 A 13 13 TYR CB C 13 37.991 36.872 1.119 1
1 70 . 2 1 1 A 13 13 TYR N N 13 118.317 118.508 -0.191 1
1 71 . 2 1 1 A 14 14 LYS H H 14 8.550 7.895 0.655 1
1 72 . 2 1 1 A 14 14 LYS HA H 14 4.909 5.483 -0.574 1
1 81 . 2 1 1 A 14 14 LYS C C 14 175.291 175.451 -0.160 1
1 82 . 2 1 1 A 14 14 LYS CA C 14 55.212 54.827 0.385 1
1 83 . 2 1 1 A 14 14 LYS CB C 14 35.202 35.335 -0.133 1
1 87 . 2 1 1 A 14 14 LYS N N 14 124.883 120.568 4.315 1
1 88 . 2 1 1 A 15 15 CYS H H 15 9.179 9.069 0.110 1
1 89 . 2 1 1 A 15 15 CYS HA H 15 4.479 4.606 -0.127 1
1 92 . 2 1 1 A 15 15 CYS C C 15 177.105 176.058 1.047 1
1 93 . 2 1 1 A 15 15 CYS CA C 15 59.396 59.338 0.058 1
1 94 . 2 1 1 A 15 15 CYS CB C 15 29.557 28.299 1.258 1
1 95 . 2 1 1 A 15 15 CYS N N 15 126.023 121.288 4.735 1
1 96 . 2 1 1 A 16 16 ASN H H 16 9.374 8.969 0.405 1
1 97 . 2 1 1 A 16 16 ASN HA H 16 4.495 4.517 -0.022 1
1 102 . 2 1 1 A 16 16 ASN C C 16 175.408 177.653 -2.245 1
1 103 . 2 1 1 A 16 16 ASN CA C 16 55.627 55.859 -0.232 1
1 104 . 2 1 1 A 16 16 ASN CB C 16 38.324 38.123 0.201 1
1 105 . 2 1 1 A 16 16 ASN N N 16 130.192 126.493 3.699 1
1 107 . 2 1 1 A 17 17 GLU H H 17 8.691 8.124 0.567 1
1 108 . 2 1 1 A 17 17 GLU HA H 17 4.198 3.975 0.223 1
1 113 . 2 1 1 A 17 17 GLU C C 17 177.098 178.502 -1.404 1
1 114 . 2 1 1 A 17 17 GLU CA C 17 58.381 58.836 -0.455 1
1 115 . 2 1 1 A 17 17 GLU CB C 17 29.486 29.358 0.128 1
1 117 . 2 1 1 A 17 17 GLU N N 17 120.808 119.998 0.810 1
1 118 . 2 1 1 A 18 18 CYS H H 18 7.886 7.875 0.011 1
1 119 . 2 1 1 A 18 18 CYS HA H 18 5.146 4.531 0.615 1
1 122 . 2 1 1 A 18 18 CYS C C 18 176.229 175.389 0.840 1
1 123 . 2 1 1 A 18 18 CYS CA C 18 58.295 59.905 -1.610 1
1 124 . 2 1 1 A 18 18 CYS CB C 18 32.487 29.248 3.239 1
1 125 . 2 1 1 A 18 18 CYS N N 18 114.653 114.788 -0.135 1
1 126 . 2 1 1 A 19 19 GLY H H 19 8.142 8.142 0.000 1
1 127 . 2 1 1 A 19 19 GLY HA2 H 19 3.765 3.997 -0.232 1
1 128 . 2 1 1 A 19 19 GLY HA3 H 19 4.228 4.010 0.218 1
1 129 . 2 1 1 A 19 19 GLY C C 19 173.689 174.413 -0.724 1
1 130 . 2 1 1 A 19 19 GLY CA C 19 46.178 45.723 0.455 1
1 131 . 2 1 1 A 19 19 GLY N N 19 113.359 110.160 3.199 1
1 132 . 2 1 1 A 20 20 LYS H H 20 7.980 7.751 0.229 1
1 133 . 2 1 1 A 20 20 LYS HA H 20 3.915 4.407 -0.492 1
1 142 . 2 1 1 A 20 20 LYS C C 20 173.709 175.057 -1.348 1
1 143 . 2 1 1 A 20 20 LYS CA C 20 58.301 54.588 3.713 1
1 144 . 2 1 1 A 20 20 LYS CB C 20 33.533 33.785 -0.252 1
1 148 . 2 1 1 A 20 20 LYS N N 20 123.220 120.726 2.494 1
1 149 . 2 1 1 A 21 21 ALA H H 21 7.773 8.432 -0.659 1
1 150 . 2 1 1 A 21 21 ALA HA H 21 5.085 4.678 0.407 1
1 154 . 2 1 1 A 21 21 ALA C C 21 176.075 176.553 -0.478 1
1 155 . 2 1 1 A 21 21 ALA CA C 21 50.454 51.276 -0.822 1
1 156 . 2 1 1 A 21 21 ALA CB C 21 22.302 19.817 2.485 1
1 157 . 2 1 1 A 21 21 ALA N N 21 124.199 128.990 -4.791 1
1 158 . 2 1 1 A 22 22 PHE H H 22 8.752 8.669 0.083 1
1 159 . 2 1 1 A 22 22 PHE HA H 22 4.758 4.948 -0.190 1
1 167 . 2 1 1 A 22 22 PHE C C 22 175.610 176.258 -0.648 1
1 168 . 2 1 1 A 22 22 PHE CA C 22 57.189 56.282 0.907 1
1 169 . 2 1 1 A 22 22 PHE CB C 22 44.496 42.315 2.181 1
1 175 . 2 1 1 A 22 22 PHE N N 22 116.243 120.206 -3.963 1
1 176 . 2 1 1 A 23 23 SER HA H 23 4.703 4.367 0.336 1
1 179 . 2 1 1 A 23 23 SER CA C 23 59.910 59.938 -0.028 1
1 180 . 2 1 1 A 23 23 SER CB C 23 64.442 63.582 0.860 1
1 181 . 2 1 1 A 24 24 GLN H H 24 7.193 7.630 -0.437 1
1 182 . 2 1 1 A 24 24 GLN HA H 24 5.016 4.403 0.613 1
1 189 . 2 1 1 A 24 24 GLN CA C 24 54.212 54.737 -0.525 1
1 190 . 2 1 1 A 24 24 GLN CB C 24 33.306 31.852 1.454 1
1 192 . 2 1 1 A 24 24 GLN N N 24 116.538 119.173 -2.635 1
1 194 . 2 1 1 A 25 25 THR HA H 25 3.308 3.858 -0.550 1
1 199 . 2 1 1 A 25 25 THR CA C 25 65.410 66.125 -0.715 1
1 200 . 2 1 1 A 25 25 THR CB C 25 67.602 68.493 -0.891 1
1 202 . 2 1 1 A 26 26 SER HA H 26 4.118 3.984 0.134 1
1 205 . 2 1 1 A 26 26 SER C C 26 177.127 176.424 0.703 1
1 206 . 2 1 1 A 26 26 SER CA C 26 60.803 61.910 -1.107 1
1 207 . 2 1 1 A 26 26 SER CB C 26 61.469 63.008 -1.539 1
1 208 . 2 1 1 A 27 27 LYS H H 27 6.629 7.944 -1.315 1
1 209 . 2 1 1 A 27 27 LYS HA H 27 3.994 4.062 -0.068 1
1 218 . 2 1 1 A 27 27 LYS C C 27 178.777 178.820 -0.043 1
1 219 . 2 1 1 A 27 27 LYS CA C 27 58.430 59.130 -0.700 1
1 220 . 2 1 1 A 27 27 LYS CB C 27 32.710 32.361 0.349 1
1 224 . 2 1 1 A 27 27 LYS N N 27 121.916 121.717 0.199 1
1 225 . 2 1 1 A 28 28 LEU H H 28 7.010 7.408 -0.398 1
1 226 . 2 1 1 A 28 28 LEU HA H 28 3.123 1.780 1.343 1
1 236 . 2 1 1 A 28 28 LEU C C 28 177.314 177.878 -0.564 1
1 237 . 2 1 1 A 28 28 LEU CA C 28 57.755 57.525 0.230 1
1 238 . 2 1 1 A 28 28 LEU CB C 28 40.258 41.616 -1.358 1
1 242 . 2 1 1 A 28 28 LEU N N 28 122.007 120.970 1.037 1
1 243 . 2 1 1 A 29 29 ALA H H 29 8.109 8.345 -0.236 1
1 244 . 2 1 1 A 29 29 ALA HA H 29 4.132 4.008 0.124 1
1 248 . 2 1 1 A 29 29 ALA C C 29 180.600 180.275 0.325 1
1 249 . 2 1 1 A 29 29 ALA CA C 29 55.046 55.430 -0.384 1
1 250 . 2 1 1 A 29 29 ALA CB C 29 17.657 18.584 -0.927 1
1 251 . 2 1 1 A 29 29 ALA N N 29 120.851 120.116 0.735 1
1 252 . 2 1 1 A 30 30 ARG H H 30 7.359 7.657 -0.298 1
1 253 . 2 1 1 A 30 30 ARG HA H 30 3.923 4.034 -0.111 1
1 260 . 2 1 1 A 30 30 ARG C C 30 178.903 178.571 0.332 1
1 261 . 2 1 1 A 30 30 ARG CA C 30 58.961 59.051 -0.090 1
1 262 . 2 1 1 A 30 30 ARG CB C 30 29.999 29.914 0.085 1
1 265 . 2 1 1 A 30 30 ARG N N 30 116.625 117.533 -0.908 1
1 266 . 2 1 1 A 31 31 HIS H H 31 7.521 7.993 -0.472 1
1 267 . 2 1 1 A 31 31 HIS HA H 31 4.176 4.217 -0.041 1
1 272 . 2 1 1 A 31 31 HIS C C 31 176.189 177.291 -1.102 1
1 273 . 2 1 1 A 31 31 HIS CA C 31 59.062 59.101 -0.039 1
1 274 . 2 1 1 A 31 31 HIS CB C 31 28.455 30.110 -1.655 1
1 277 . 2 1 1 A 31 31 HIS N N 31 119.368 121.130 -1.762 1
1 278 . 2 1 1 A 32 32 GLN H H 32 8.334 8.742 -0.408 1
1 279 . 2 1 1 A 32 32 GLN HA H 32 3.658 3.975 -0.317 1
1 286 . 2 1 1 A 32 32 GLN C C 32 177.410 178.237 -0.827 1
1 287 . 2 1 1 A 32 32 GLN CA C 32 59.343 59.065 0.278 1
1 288 . 2 1 1 A 32 32 GLN CB C 32 28.331 28.274 0.057 1
1 290 . 2 1 1 A 32 32 GLN N N 32 115.359 118.086 -2.727 1
1 292 . 2 1 1 A 33 33 ARG H H 33 7.077 7.732 -0.655 1
1 293 . 2 1 1 A 33 33 ARG HA H 33 4.108 4.079 0.029 1
1 300 . 2 1 1 A 33 33 ARG C C 33 178.553 177.617 0.936 1
1 301 . 2 1 1 A 33 33 ARG CA C 33 58.250 58.178 0.072 1
1 302 . 2 1 1 A 33 33 ARG CB C 33 29.969 30.012 -0.043 1
1 305 . 2 1 1 A 33 33 ARG N N 33 117.106 118.490 -1.384 1
1 306 . 2 1 1 A 34 34 ILE H H 34 7.777 7.979 -0.202 1
1 307 . 2 1 1 A 34 34 ILE HA H 34 3.940 4.044 -0.104 1
1 317 . 2 1 1 A 34 34 ILE C C 34 177.451 176.233 1.218 1
1 318 . 2 1 1 A 34 34 ILE CA C 34 63.117 61.786 1.331 1
1 319 . 2 1 1 A 34 34 ILE CB C 34 37.637 37.503 0.134 1
1 323 . 2 1 1 A 34 34 ILE N N 34 116.459 114.442 2.017 1
1 324 . 2 1 1 A 35 35 HIS H H 35 7.182 8.241 -1.059 1
1 325 . 2 1 1 A 35 35 HIS HA H 35 4.828 4.524 0.304 1
1 330 . 2 1 1 A 35 35 HIS C C 35 175.851 176.277 -0.426 1
1 331 . 2 1 1 A 35 35 HIS CA C 35 55.280 57.877 -2.597 1
1 332 . 2 1 1 A 35 35 HIS CB C 35 28.512 31.438 -2.926 1
1 335 . 2 1 1 A 35 35 HIS N N 35 117.602 119.712 -2.110 1
1 336 . 2 1 1 A 36 36 THR H H 36 7.747 7.928 -0.181 1
1 337 . 2 1 1 A 36 36 THR HA H 36 4.331 4.255 0.076 1
1 342 . 2 1 1 A 36 36 THR C C 36 175.469 174.771 0.698 1
1 343 . 2 1 1 A 36 36 THR CA C 36 62.467 63.666 -1.199 1
1 344 . 2 1 1 A 36 36 THR CB C 36 69.824 69.919 -0.095 1
1 346 . 2 1 1 A 36 36 THR N N 36 111.513 111.186 0.327 1
1 347 . 2 1 1 A 37 37 GLY H H 37 8.182 8.512 -0.330 1
1 348 . 2 1 1 A 37 37 GLY HA2 H 37 4.013 3.942 0.071 1
1 349 . 2 1 1 A 37 37 GLY HA3 H 37 3.918 3.954 -0.036 1
1 350 . 2 1 1 A 37 37 GLY C C 37 174.052 174.086 -0.034 1
1 351 . 2 1 1 A 37 37 GLY CA C 37 45.367 46.474 -1.107 1
1 352 . 2 1 1 A 37 37 GLY N N 37 110.535 108.622 1.913 1
1 353 . 2 1 1 A 38 38 GLU H H 38 8.052 7.835 0.217 1
1 354 . 2 1 1 A 38 38 GLU HA H 38 4.218 4.792 -0.574 1
1 359 . 2 1 1 A 38 38 GLU CA C 38 56.434 54.471 1.963 1
1 360 . 2 1 1 A 38 38 GLU CB C 38 30.328 33.654 -3.326 1
1 362 . 2 1 1 A 38 38 GLU N N 38 120.571 119.333 1.238 1
1 363 . 2 1 1 A 39 39 LYS H H 39 8.389 8.254 0.135 1
1 364 . 2 1 1 A 39 39 LYS HA H 39 4.578 4.429 0.149 1
1 373 . 2 1 1 A 39 39 LYS C C 39 173.753 174.717 -0.964 1
1 374 . 2 1 1 A 39 39 LYS CA C 39 54.091 54.909 -0.818 1
1 375 . 2 1 1 A 39 39 LYS CB C 39 32.446 31.655 0.791 1
1 379 . 2 1 1 A 39 39 LYS N N 39 123.889 123.124 0.765 1
1 380 . 2 1 1 A 40 40 PRO HA H 40 4.438 4.589 -0.151 1
1 387 . 2 1 1 A 40 40 PRO CA C 40 63.206 62.690 0.516 1
1 388 . 2 1 1 A 40 40 PRO CB C 40 32.136 32.556 -0.420 1
1 391 . 2 1 1 A 41 41 SER H H 41 8.460 8.950 -0.490 1
1 392 . 2 1 1 A 41 41 SER N N 41 116.511 119.247 -2.736 1
1 393 . 2 1 1 A 42 42 GLY HA2 H 42 4.109 4.091 0.018 1
1 394 . 2 1 1 A 42 42 GLY HA3 H 42 4.109 4.092 0.017 1
1 395 . 2 1 1 A 42 42 GLY CA C 42 44.689 44.145 0.544 1
1 396 . 2 1 1 A 43 43 PRO HA H 43 4.440 4.598 -0.158 1
1 403 . 2 1 1 A 43 43 PRO CA C 43 63.206 62.655 0.551 1
1 404 . 2 1 1 A 43 43 PRO CB C 43 32.100 33.219 -1.119 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.489 4.332 0.157 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 3.885 4.098 -0.213 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.012 4.098 -0.086 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.367 43.874 1.493 1
1 5 . 3 1 1 A 8 8 THR HA H 8 4.329 4.999 -0.670 1
1 10 . 3 1 1 A 8 8 THR CA C 8 62.105 60.419 1.686 1
1 11 . 3 1 1 A 8 8 THR CB C 8 69.768 70.582 -0.814 1
1 13 . 3 1 1 A 9 9 GLY HA2 H 9 3.880 4.279 -0.399 1
1 14 . 3 1 1 A 9 9 GLY HA3 H 9 3.926 4.281 -0.355 1
1 15 . 3 1 1 A 9 9 GLY CA C 9 45.213 46.234 -1.021 1
1 16 . 3 1 1 A 10 10 GLU H H 10 8.181 8.577 -0.396 1
1 17 . 3 1 1 A 10 10 GLU HA H 10 4.130 5.037 -0.907 1
1 22 . 3 1 1 A 10 10 GLU CA C 10 56.831 55.317 1.514 1
1 23 . 3 1 1 A 10 10 GLU CB C 10 30.246 31.852 -1.606 1
1 25 . 3 1 1 A 10 10 GLU N N 10 120.199 121.002 -0.803 1
1 26 . 3 1 1 A 11 11 LYS H H 11 8.309 8.528 -0.219 1
1 27 . 3 1 1 A 11 11 LYS HA H 11 4.352 4.848 -0.496 1
1 36 . 3 1 1 A 11 11 LYS C C 11 174.507 176.689 -2.182 1
1 37 . 3 1 1 A 11 11 LYS CA C 11 53.748 54.346 -0.598 1
1 38 . 3 1 1 A 11 11 LYS CB C 11 33.171 32.295 0.876 1
1 42 . 3 1 1 A 11 11 LYS N N 11 121.525 121.148 0.377 1
1 43 . 3 1 1 A 12 12 PRO HA H 12 4.174 4.534 -0.360 1
1 50 . 3 1 1 A 12 12 PRO C C 12 176.557 176.677 -0.120 1
1 51 . 3 1 1 A 12 12 PRO CA C 12 63.551 64.605 -1.054 1
1 52 . 3 1 1 A 12 12 PRO CB C 12 32.242 31.752 0.490 1
1 55 . 3 1 1 A 13 13 TYR H H 13 7.676 8.134 -0.458 1
1 56 . 3 1 1 A 13 13 TYR HA H 13 4.750 4.813 -0.063 1
1 63 . 3 1 1 A 13 13 TYR C C 13 174.491 175.343 -0.852 1
1 64 . 3 1 1 A 13 13 TYR CA C 13 56.955 57.312 -0.357 1
1 65 . 3 1 1 A 13 13 TYR CB C 13 37.991 37.635 0.356 1
1 70 . 3 1 1 A 13 13 TYR N N 13 118.317 117.342 0.975 1
1 71 . 3 1 1 A 14 14 LYS H H 14 8.550 7.460 1.090 1
1 72 . 3 1 1 A 14 14 LYS HA H 14 4.909 4.878 0.031 1
1 81 . 3 1 1 A 14 14 LYS C C 14 175.291 176.195 -0.904 1
1 82 . 3 1 1 A 14 14 LYS CA C 14 55.212 56.699 -1.487 1
1 83 . 3 1 1 A 14 14 LYS CB C 14 35.202 32.956 2.246 1
1 87 . 3 1 1 A 14 14 LYS N N 14 124.883 118.467 6.416 1
1 88 . 3 1 1 A 15 15 CYS H H 15 9.179 8.772 0.407 1
1 89 . 3 1 1 A 15 15 CYS HA H 15 4.479 4.560 -0.081 1
1 92 . 3 1 1 A 15 15 CYS C C 15 177.105 175.740 1.365 1
1 93 . 3 1 1 A 15 15 CYS CA C 15 59.396 58.913 0.483 1
1 94 . 3 1 1 A 15 15 CYS CB C 15 29.557 27.794 1.763 1
1 95 . 3 1 1 A 15 15 CYS N N 15 126.023 121.272 4.751 1
1 96 . 3 1 1 A 16 16 ASN H H 16 9.374 8.999 0.375 1
1 97 . 3 1 1 A 16 16 ASN HA H 16 4.495 4.518 -0.023 1
1 102 . 3 1 1 A 16 16 ASN C C 16 175.408 177.426 -2.018 1
1 103 . 3 1 1 A 16 16 ASN CA C 16 55.627 56.034 -0.407 1
1 104 . 3 1 1 A 16 16 ASN CB C 16 38.324 38.093 0.231 1
1 105 . 3 1 1 A 16 16 ASN N N 16 130.192 126.155 4.037 1
1 107 . 3 1 1 A 17 17 GLU H H 17 8.691 8.109 0.582 1
1 108 . 3 1 1 A 17 17 GLU HA H 17 4.198 3.977 0.221 1
1 113 . 3 1 1 A 17 17 GLU C C 17 177.098 178.383 -1.285 1
1 114 . 3 1 1 A 17 17 GLU CA C 17 58.381 58.806 -0.425 1
1 115 . 3 1 1 A 17 17 GLU CB C 17 29.486 29.313 0.173 1
1 117 . 3 1 1 A 17 17 GLU N N 17 120.808 120.140 0.668 1
1 118 . 3 1 1 A 18 18 CYS H H 18 7.886 7.923 -0.037 1
1 119 . 3 1 1 A 18 18 CYS HA H 18 5.146 4.608 0.538 1
1 122 . 3 1 1 A 18 18 CYS C C 18 176.229 175.396 0.833 1
1 123 . 3 1 1 A 18 18 CYS CA C 18 58.295 59.882 -1.587 1
1 124 . 3 1 1 A 18 18 CYS CB C 18 32.487 29.515 2.972 1
1 125 . 3 1 1 A 18 18 CYS N N 18 114.653 114.718 -0.065 1
1 126 . 3 1 1 A 19 19 GLY H H 19 8.142 8.285 -0.143 1
1 127 . 3 1 1 A 19 19 GLY HA2 H 19 3.765 4.013 -0.248 1
1 128 . 3 1 1 A 19 19 GLY HA3 H 19 4.228 4.030 0.198 1
1 129 . 3 1 1 A 19 19 GLY C C 19 173.689 174.433 -0.744 1
1 130 . 3 1 1 A 19 19 GLY CA C 19 46.178 45.723 0.455 1
1 131 . 3 1 1 A 19 19 GLY N N 19 113.359 110.181 3.178 1
1 132 . 3 1 1 A 20 20 LYS H H 20 7.980 7.780 0.200 1
1 133 . 3 1 1 A 20 20 LYS HA H 20 3.915 4.462 -0.547 1
1 142 . 3 1 1 A 20 20 LYS C C 20 173.709 175.130 -1.421 1
1 143 . 3 1 1 A 20 20 LYS CA C 20 58.301 54.666 3.635 1
1 144 . 3 1 1 A 20 20 LYS CB C 20 33.533 33.722 -0.189 1
1 148 . 3 1 1 A 20 20 LYS N N 20 123.220 120.799 2.421 1
1 149 . 3 1 1 A 21 21 ALA H H 21 7.773 8.560 -0.787 1
1 150 . 3 1 1 A 21 21 ALA HA H 21 5.085 4.820 0.265 1
1 154 . 3 1 1 A 21 21 ALA C C 21 176.075 176.926 -0.851 1
1 155 . 3 1 1 A 21 21 ALA CA C 21 50.454 51.058 -0.604 1
1 156 . 3 1 1 A 21 21 ALA CB C 21 22.302 19.906 2.396 1
1 157 . 3 1 1 A 21 21 ALA N N 21 124.199 129.628 -5.429 1
1 158 . 3 1 1 A 22 22 PHE H H 22 8.752 9.195 -0.443 1
1 159 . 3 1 1 A 22 22 PHE HA H 22 4.758 4.893 -0.135 1
1 167 . 3 1 1 A 22 22 PHE C C 22 175.610 176.276 -0.666 1
1 168 . 3 1 1 A 22 22 PHE CA C 22 57.189 57.102 0.087 1
1 169 . 3 1 1 A 22 22 PHE CB C 22 44.496 41.364 3.132 1
1 175 . 3 1 1 A 22 22 PHE N N 22 116.243 122.263 -6.020 1
1 176 . 3 1 1 A 23 23 SER HA H 23 4.703 4.542 0.161 1
1 179 . 3 1 1 A 23 23 SER CA C 23 59.910 60.101 -0.191 1
1 180 . 3 1 1 A 23 23 SER CB C 23 64.442 64.321 0.121 1
1 181 . 3 1 1 A 24 24 GLN H H 24 7.193 8.002 -0.809 1
1 182 . 3 1 1 A 24 24 GLN HA H 24 5.016 4.556 0.460 1
1 189 . 3 1 1 A 24 24 GLN CA C 24 54.212 54.333 -0.121 1
1 190 . 3 1 1 A 24 24 GLN CB C 24 33.306 31.498 1.808 1
1 192 . 3 1 1 A 24 24 GLN N N 24 116.538 116.944 -0.406 1
1 194 . 3 1 1 A 25 25 THR HA H 25 3.308 3.715 -0.407 1
1 199 . 3 1 1 A 25 25 THR CA C 25 65.410 66.331 -0.921 1
1 200 . 3 1 1 A 25 25 THR CB C 25 67.602 68.743 -1.141 1
1 202 . 3 1 1 A 26 26 SER HA H 26 4.118 3.973 0.145 1
1 205 . 3 1 1 A 26 26 SER C C 26 177.127 177.294 -0.167 1
1 206 . 3 1 1 A 26 26 SER CA C 26 60.803 61.680 -0.877 1
1 207 . 3 1 1 A 26 26 SER CB C 26 61.469 62.917 -1.448 1
1 208 . 3 1 1 A 27 27 LYS H H 27 6.629 7.793 -1.164 1
1 209 . 3 1 1 A 27 27 LYS HA H 27 3.994 4.029 -0.035 1
1 218 . 3 1 1 A 27 27 LYS C C 27 178.777 178.754 0.023 1
1 219 . 3 1 1 A 27 27 LYS CA C 27 58.430 59.396 -0.966 1
1 220 . 3 1 1 A 27 27 LYS CB C 27 32.710 32.712 -0.002 1
1 224 . 3 1 1 A 27 27 LYS N N 27 121.916 121.430 0.486 1
1 225 . 3 1 1 A 28 28 LEU H H 28 7.010 7.478 -0.468 1
1 226 . 3 1 1 A 28 28 LEU HA H 28 3.123 1.593 1.530 1
1 236 . 3 1 1 A 28 28 LEU C C 28 177.314 177.733 -0.419 1
1 237 . 3 1 1 A 28 28 LEU CA C 28 57.755 57.293 0.462 1
1 238 . 3 1 1 A 28 28 LEU CB C 28 40.258 41.366 -1.108 1
1 242 . 3 1 1 A 28 28 LEU N N 28 122.007 121.058 0.949 1
1 243 . 3 1 1 A 29 29 ALA H H 29 8.109 8.114 -0.005 1
1 244 . 3 1 1 A 29 29 ALA HA H 29 4.132 4.032 0.100 1
1 248 . 3 1 1 A 29 29 ALA C C 29 180.600 179.229 1.371 1
1 249 . 3 1 1 A 29 29 ALA CA C 29 55.046 55.366 -0.320 1
1 250 . 3 1 1 A 29 29 ALA CB C 29 17.657 18.455 -0.798 1
1 251 . 3 1 1 A 29 29 ALA N N 29 120.851 120.535 0.316 1
1 252 . 3 1 1 A 30 30 ARG H H 30 7.359 8.178 -0.819 1
1 253 . 3 1 1 A 30 30 ARG HA H 30 3.923 3.975 -0.052 1
1 260 . 3 1 1 A 30 30 ARG C C 30 178.903 178.391 0.512 1
1 261 . 3 1 1 A 30 30 ARG CA C 30 58.961 58.456 0.505 1
1 262 . 3 1 1 A 30 30 ARG CB C 30 29.999 30.022 -0.023 1
1 265 . 3 1 1 A 30 30 ARG N N 30 116.625 118.466 -1.841 1
1 266 . 3 1 1 A 31 31 HIS H H 31 7.521 7.980 -0.459 1
1 267 . 3 1 1 A 31 31 HIS HA H 31 4.176 4.271 -0.095 1
1 272 . 3 1 1 A 31 31 HIS C C 31 176.189 177.388 -1.199 1
1 273 . 3 1 1 A 31 31 HIS CA C 31 59.062 59.173 -0.111 1
1 274 . 3 1 1 A 31 31 HIS CB C 31 28.455 30.273 -1.818 1
1 277 . 3 1 1 A 31 31 HIS N N 31 119.368 119.330 0.038 1
1 278 . 3 1 1 A 32 32 GLN H H 32 8.334 8.686 -0.352 1
1 279 . 3 1 1 A 32 32 GLN HA H 32 3.658 3.976 -0.318 1
1 286 . 3 1 1 A 32 32 GLN C C 32 177.410 178.316 -0.906 1
1 287 . 3 1 1 A 32 32 GLN CA C 32 59.343 59.064 0.279 1
1 288 . 3 1 1 A 32 32 GLN CB C 32 28.331 28.267 0.064 1
1 290 . 3 1 1 A 32 32 GLN N N 32 115.359 118.159 -2.800 1
1 292 . 3 1 1 A 33 33 ARG H H 33 7.077 7.686 -0.609 1
1 293 . 3 1 1 A 33 33 ARG HA H 33 4.108 4.084 0.024 1
1 300 . 3 1 1 A 33 33 ARG C C 33 178.553 177.776 0.777 1
1 301 . 3 1 1 A 33 33 ARG CA C 33 58.250 58.185 0.065 1
1 302 . 3 1 1 A 33 33 ARG CB C 33 29.969 30.021 -0.052 1
1 305 . 3 1 1 A 33 33 ARG N N 33 117.106 118.462 -1.356 1
1 306 . 3 1 1 A 34 34 ILE H H 34 7.777 8.040 -0.263 1
1 307 . 3 1 1 A 34 34 ILE HA H 34 3.940 4.058 -0.118 1
1 317 . 3 1 1 A 34 34 ILE C C 34 177.451 176.820 0.631 1
1 318 . 3 1 1 A 34 34 ILE CA C 34 63.117 62.182 0.935 1
1 319 . 3 1 1 A 34 34 ILE CB C 34 37.637 37.623 0.014 1
1 323 . 3 1 1 A 34 34 ILE N N 34 116.459 114.457 2.002 1
1 324 . 3 1 1 A 35 35 HIS H H 35 7.182 8.027 -0.845 1
1 325 . 3 1 1 A 35 35 HIS HA H 35 4.828 4.452 0.376 1
1 330 . 3 1 1 A 35 35 HIS C C 35 175.851 177.331 -1.480 1
1 331 . 3 1 1 A 35 35 HIS CA C 35 55.280 58.594 -3.314 1
1 332 . 3 1 1 A 35 35 HIS CB C 35 28.512 30.751 -2.239 1
1 335 . 3 1 1 A 35 35 HIS N N 35 117.602 119.969 -2.367 1
1 336 . 3 1 1 A 36 36 THR H H 36 7.747 7.450 0.297 1
1 337 . 3 1 1 A 36 36 THR HA H 36 4.331 4.166 0.165 1
1 342 . 3 1 1 A 36 36 THR C C 36 175.469 174.820 0.649 1
1 343 . 3 1 1 A 36 36 THR CA C 36 62.467 64.353 -1.886 1
1 344 . 3 1 1 A 36 36 THR CB C 36 69.824 69.832 -0.008 1
1 346 . 3 1 1 A 36 36 THR N N 36 111.513 112.254 -0.741 1
1 347 . 3 1 1 A 37 37 GLY H H 37 8.182 7.809 0.373 1
1 348 . 3 1 1 A 37 37 GLY HA2 H 37 4.013 4.057 -0.044 1
1 349 . 3 1 1 A 37 37 GLY HA3 H 37 3.918 4.070 -0.152 1
1 350 . 3 1 1 A 37 37 GLY C C 37 174.052 174.945 -0.893 1
1 351 . 3 1 1 A 37 37 GLY CA C 37 45.367 44.782 0.585 1
1 352 . 3 1 1 A 37 37 GLY N N 37 110.535 108.752 1.783 1
1 353 . 3 1 1 A 38 38 GLU H H 38 8.052 8.661 -0.609 1
1 354 . 3 1 1 A 38 38 GLU HA H 38 4.218 4.587 -0.369 1
1 359 . 3 1 1 A 38 38 GLU CA C 38 56.434 56.770 -0.336 1
1 360 . 3 1 1 A 38 38 GLU CB C 38 30.328 32.420 -2.092 1
1 362 . 3 1 1 A 38 38 GLU N N 38 120.571 120.555 0.016 1
1 363 . 3 1 1 A 39 39 LYS H H 39 8.389 7.532 0.857 1
1 364 . 3 1 1 A 39 39 LYS HA H 39 4.578 4.518 0.060 1
1 373 . 3 1 1 A 39 39 LYS C C 39 173.753 176.270 -2.517 1
1 374 . 3 1 1 A 39 39 LYS CA C 39 54.091 54.186 -0.095 1
1 375 . 3 1 1 A 39 39 LYS CB C 39 32.446 31.592 0.854 1
1 379 . 3 1 1 A 39 39 LYS N N 39 123.889 118.810 5.079 1
1 380 . 3 1 1 A 40 40 PRO HA H 40 4.438 4.426 0.012 1
1 387 . 3 1 1 A 40 40 PRO CA C 40 63.206 63.921 -0.715 1
1 388 . 3 1 1 A 40 40 PRO CB C 40 32.136 31.724 0.412 1
1 391 . 3 1 1 A 41 41 SER H H 41 8.460 7.493 0.967 1
1 392 . 3 1 1 A 41 41 SER N N 41 116.511 109.842 6.669 1
1 393 . 3 1 1 A 42 42 GLY HA2 H 42 4.109 4.213 -0.104 1
1 394 . 3 1 1 A 42 42 GLY HA3 H 42 4.109 4.217 -0.108 1
1 395 . 3 1 1 A 42 42 GLY CA C 42 44.689 44.148 0.541 1
1 396 . 3 1 1 A 43 43 PRO HA H 43 4.440 4.577 -0.137 1
1 403 . 3 1 1 A 43 43 PRO CA C 43 63.206 62.543 0.663 1
1 404 . 3 1 1 A 43 43 PRO CB C 43 32.100 32.332 -0.232 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.489 5.036 -0.547 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 3.885 4.140 -0.255 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.012 4.142 -0.130 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.367 44.479 0.888 1
1 5 . 4 1 1 A 8 8 THR HA H 8 4.329 4.606 -0.277 1
1 10 . 4 1 1 A 8 8 THR CA C 8 62.105 62.785 -0.680 1
1 11 . 4 1 1 A 8 8 THR CB C 8 69.768 69.171 0.597 1
1 13 . 4 1 1 A 9 9 GLY HA2 H 9 3.880 4.158 -0.278 1
1 14 . 4 1 1 A 9 9 GLY HA3 H 9 3.926 4.160 -0.234 1
1 15 . 4 1 1 A 9 9 GLY CA C 9 45.213 45.770 -0.557 1
1 16 . 4 1 1 A 10 10 GLU H H 10 8.181 8.482 -0.301 1
1 17 . 4 1 1 A 10 10 GLU HA H 10 4.130 4.724 -0.594 1
1 22 . 4 1 1 A 10 10 GLU CA C 10 56.831 55.733 1.098 1
1 23 . 4 1 1 A 10 10 GLU CB C 10 30.246 29.845 0.401 1
1 25 . 4 1 1 A 10 10 GLU N N 10 120.199 120.234 -0.035 1
1 26 . 4 1 1 A 11 11 LYS H H 11 8.309 8.418 -0.109 1
1 27 . 4 1 1 A 11 11 LYS HA H 11 4.352 4.823 -0.471 1
1 36 . 4 1 1 A 11 11 LYS C C 11 174.507 176.838 -2.331 1
1 37 . 4 1 1 A 11 11 LYS CA C 11 53.748 54.786 -1.038 1
1 38 . 4 1 1 A 11 11 LYS CB C 11 33.171 32.186 0.985 1
1 42 . 4 1 1 A 11 11 LYS N N 11 121.525 121.820 -0.295 1
1 43 . 4 1 1 A 12 12 PRO HA H 12 4.174 4.559 -0.385 1
1 50 . 4 1 1 A 12 12 PRO C C 12 176.557 176.165 0.392 1
1 51 . 4 1 1 A 12 12 PRO CA C 12 63.551 64.701 -1.150 1
1 52 . 4 1 1 A 12 12 PRO CB C 12 32.242 31.818 0.424 1
1 55 . 4 1 1 A 13 13 TYR H H 13 7.676 8.170 -0.494 1
1 56 . 4 1 1 A 13 13 TYR HA H 13 4.750 4.684 0.066 1
1 63 . 4 1 1 A 13 13 TYR C C 13 174.491 174.801 -0.310 1
1 64 . 4 1 1 A 13 13 TYR CA C 13 56.955 57.298 -0.343 1
1 65 . 4 1 1 A 13 13 TYR CB C 13 37.991 36.967 1.024 1
1 70 . 4 1 1 A 13 13 TYR N N 13 118.317 118.313 0.004 1
1 71 . 4 1 1 A 14 14 LYS H H 14 8.550 7.893 0.657 1
1 72 . 4 1 1 A 14 14 LYS HA H 14 4.909 5.533 -0.624 1
1 81 . 4 1 1 A 14 14 LYS C C 14 175.291 175.464 -0.173 1
1 82 . 4 1 1 A 14 14 LYS CA C 14 55.212 55.019 0.193 1
1 83 . 4 1 1 A 14 14 LYS CB C 14 35.202 34.876 0.326 1
1 87 . 4 1 1 A 14 14 LYS N N 14 124.883 121.373 3.510 1
1 88 . 4 1 1 A 15 15 CYS H H 15 9.179 9.066 0.113 1
1 89 . 4 1 1 A 15 15 CYS HA H 15 4.479 4.524 -0.045 1
1 92 . 4 1 1 A 15 15 CYS C C 15 177.105 176.511 0.594 1
1 93 . 4 1 1 A 15 15 CYS CA C 15 59.396 60.247 -0.851 1
1 94 . 4 1 1 A 15 15 CYS CB C 15 29.557 29.210 0.347 1
1 95 . 4 1 1 A 15 15 CYS N N 15 126.023 121.659 4.364 1
1 96 . 4 1 1 A 16 16 ASN H H 16 9.374 9.385 -0.011 1
1 97 . 4 1 1 A 16 16 ASN HA H 16 4.495 4.649 -0.154 1
1 102 . 4 1 1 A 16 16 ASN C C 16 175.408 176.845 -1.437 1
1 103 . 4 1 1 A 16 16 ASN CA C 16 55.627 54.772 0.855 1
1 104 . 4 1 1 A 16 16 ASN CB C 16 38.324 38.569 -0.245 1
1 105 . 4 1 1 A 16 16 ASN N N 16 130.192 128.016 2.176 1
1 107 . 4 1 1 A 17 17 GLU H H 17 8.691 7.922 0.769 1
1 108 . 4 1 1 A 17 17 GLU HA H 17 4.198 4.079 0.119 1
1 113 . 4 1 1 A 17 17 GLU C C 17 177.098 178.345 -1.247 1
1 114 . 4 1 1 A 17 17 GLU CA C 17 58.381 59.001 -0.620 1
1 115 . 4 1 1 A 17 17 GLU CB C 17 29.486 29.906 -0.420 1
1 117 . 4 1 1 A 17 17 GLU N N 17 120.808 118.291 2.517 1
1 118 . 4 1 1 A 18 18 CYS H H 18 7.886 7.940 -0.054 1
1 119 . 4 1 1 A 18 18 CYS HA H 18 5.146 4.567 0.579 1
1 122 . 4 1 1 A 18 18 CYS C C 18 176.229 175.332 0.897 1
1 123 . 4 1 1 A 18 18 CYS CA C 18 58.295 60.020 -1.725 1
1 124 . 4 1 1 A 18 18 CYS CB C 18 32.487 29.303 3.184 1
1 125 . 4 1 1 A 18 18 CYS N N 18 114.653 114.917 -0.264 1
1 126 . 4 1 1 A 19 19 GLY H H 19 8.142 8.210 -0.068 1
1 127 . 4 1 1 A 19 19 GLY HA2 H 19 3.765 4.065 -0.300 1
1 128 . 4 1 1 A 19 19 GLY HA3 H 19 4.228 4.085 0.143 1
1 129 . 4 1 1 A 19 19 GLY C C 19 173.689 174.358 -0.669 1
1 130 . 4 1 1 A 19 19 GLY CA C 19 46.178 45.540 0.638 1
1 131 . 4 1 1 A 19 19 GLY N N 19 113.359 109.863 3.496 1
1 132 . 4 1 1 A 20 20 LYS H H 20 7.980 7.809 0.171 1
1 133 . 4 1 1 A 20 20 LYS HA H 20 3.915 4.492 -0.577 1
1 142 . 4 1 1 A 20 20 LYS C C 20 173.709 175.314 -1.605 1
1 143 . 4 1 1 A 20 20 LYS CA C 20 58.301 54.670 3.631 1
1 144 . 4 1 1 A 20 20 LYS CB C 20 33.533 33.612 -0.079 1
1 148 . 4 1 1 A 20 20 LYS N N 20 123.220 120.908 2.312 1
1 149 . 4 1 1 A 21 21 ALA H H 21 7.773 8.511 -0.738 1
1 150 . 4 1 1 A 21 21 ALA HA H 21 5.085 4.775 0.310 1
1 154 . 4 1 1 A 21 21 ALA C C 21 176.075 176.962 -0.887 1
1 155 . 4 1 1 A 21 21 ALA CA C 21 50.454 51.067 -0.613 1
1 156 . 4 1 1 A 21 21 ALA CB C 21 22.302 19.808 2.494 1
1 157 . 4 1 1 A 21 21 ALA N N 21 124.199 129.284 -5.085 1
1 158 . 4 1 1 A 22 22 PHE H H 22 8.752 8.700 0.052 1
1 159 . 4 1 1 A 22 22 PHE HA H 22 4.758 5.002 -0.244 1
1 167 . 4 1 1 A 22 22 PHE C C 22 175.610 176.007 -0.397 1
1 168 . 4 1 1 A 22 22 PHE CA C 22 57.189 56.988 0.201 1
1 169 . 4 1 1 A 22 22 PHE CB C 22 44.496 41.946 2.550 1
1 175 . 4 1 1 A 22 22 PHE N N 22 116.243 122.132 -5.889 1
1 176 . 4 1 1 A 23 23 SER HA H 23 4.703 4.636 0.067 1
1 179 . 4 1 1 A 23 23 SER CA C 23 59.910 58.770 1.140 1
1 180 . 4 1 1 A 23 23 SER CB C 23 64.442 64.150 0.292 1
1 181 . 4 1 1 A 24 24 GLN H H 24 7.193 8.016 -0.823 1
1 182 . 4 1 1 A 24 24 GLN HA H 24 5.016 4.650 0.366 1
1 189 . 4 1 1 A 24 24 GLN CA C 24 54.212 54.474 -0.262 1
1 190 . 4 1 1 A 24 24 GLN CB C 24 33.306 31.451 1.855 1
1 192 . 4 1 1 A 24 24 GLN N N 24 116.538 119.763 -3.225 1
1 194 . 4 1 1 A 25 25 THR HA H 25 3.308 3.569 -0.261 1
1 199 . 4 1 1 A 25 25 THR CA C 25 65.410 66.154 -0.744 1
1 200 . 4 1 1 A 25 25 THR CB C 25 67.602 68.603 -1.001 1
1 202 . 4 1 1 A 26 26 SER HA H 26 4.118 3.973 0.145 1
1 205 . 4 1 1 A 26 26 SER C C 26 177.127 177.333 -0.206 1
1 206 . 4 1 1 A 26 26 SER CA C 26 60.803 61.605 -0.802 1
1 207 . 4 1 1 A 26 26 SER CB C 26 61.469 63.028 -1.559 1
1 208 . 4 1 1 A 27 27 LYS H H 27 6.629 7.782 -1.153 1
1 209 . 4 1 1 A 27 27 LYS HA H 27 3.994 4.015 -0.021 1
1 218 . 4 1 1 A 27 27 LYS C C 27 178.777 178.827 -0.050 1
1 219 . 4 1 1 A 27 27 LYS CA C 27 58.430 59.403 -0.973 1
1 220 . 4 1 1 A 27 27 LYS CB C 27 32.710 32.809 -0.099 1
1 224 . 4 1 1 A 27 27 LYS N N 27 121.916 120.944 0.972 1
1 225 . 4 1 1 A 28 28 LEU H H 28 7.010 7.468 -0.458 1
1 226 . 4 1 1 A 28 28 LEU HA H 28 3.123 1.571 1.552 1
1 236 . 4 1 1 A 28 28 LEU C C 28 177.314 177.843 -0.529 1
1 237 . 4 1 1 A 28 28 LEU CA C 28 57.755 57.324 0.431 1
1 238 . 4 1 1 A 28 28 LEU CB C 28 40.258 41.413 -1.155 1
1 242 . 4 1 1 A 28 28 LEU N N 28 122.007 121.136 0.871 1
1 243 . 4 1 1 A 29 29 ALA H H 29 8.109 8.134 -0.025 1
1 244 . 4 1 1 A 29 29 ALA HA H 29 4.132 3.991 0.141 1
1 248 . 4 1 1 A 29 29 ALA C C 29 180.600 180.295 0.305 1
1 249 . 4 1 1 A 29 29 ALA CA C 29 55.046 55.421 -0.375 1
1 250 . 4 1 1 A 29 29 ALA CB C 29 17.657 18.559 -0.902 1
1 251 . 4 1 1 A 29 29 ALA N N 29 120.851 119.971 0.880 1
1 252 . 4 1 1 A 30 30 ARG H H 30 7.359 8.058 -0.699 1
1 253 . 4 1 1 A 30 30 ARG HA H 30 3.923 4.066 -0.143 1
1 260 . 4 1 1 A 30 30 ARG C C 30 178.903 178.578 0.325 1
1 261 . 4 1 1 A 30 30 ARG CA C 30 58.961 59.051 -0.090 1
1 262 . 4 1 1 A 30 30 ARG CB C 30 29.999 29.934 0.065 1
1 265 . 4 1 1 A 30 30 ARG N N 30 116.625 117.554 -0.929 1
1 266 . 4 1 1 A 31 31 HIS H H 31 7.521 8.131 -0.610 1
1 267 . 4 1 1 A 31 31 HIS HA H 31 4.176 4.256 -0.080 1
1 272 . 4 1 1 A 31 31 HIS C C 31 176.189 177.301 -1.112 1
1 273 . 4 1 1 A 31 31 HIS CA C 31 59.062 59.261 -0.199 1
1 274 . 4 1 1 A 31 31 HIS CB C 31 28.455 30.286 -1.831 1
1 277 . 4 1 1 A 31 31 HIS N N 31 119.368 121.343 -1.975 1
1 278 . 4 1 1 A 32 32 GLN H H 32 8.334 8.698 -0.364 1
1 279 . 4 1 1 A 32 32 GLN HA H 32 3.658 3.920 -0.262 1
1 286 . 4 1 1 A 32 32 GLN C C 32 177.410 178.597 -1.187 1
1 287 . 4 1 1 A 32 32 GLN CA C 32 59.343 59.083 0.260 1
1 288 . 4 1 1 A 32 32 GLN CB C 32 28.331 28.198 0.133 1
1 290 . 4 1 1 A 32 32 GLN N N 32 115.359 118.179 -2.820 1
1 292 . 4 1 1 A 33 33 ARG H H 33 7.077 7.756 -0.679 1
1 293 . 4 1 1 A 33 33 ARG HA H 33 4.108 4.059 0.049 1
1 300 . 4 1 1 A 33 33 ARG C C 33 178.553 178.254 0.299 1
1 301 . 4 1 1 A 33 33 ARG CA C 33 58.250 58.494 -0.244 1
1 302 . 4 1 1 A 33 33 ARG CB C 33 29.969 30.120 -0.151 1
1 305 . 4 1 1 A 33 33 ARG N N 33 117.106 119.090 -1.984 1
1 306 . 4 1 1 A 34 34 ILE H H 34 7.777 7.996 -0.219 1
1 307 . 4 1 1 A 34 34 ILE HA H 34 3.940 4.007 -0.067 1
1 317 . 4 1 1 A 34 34 ILE C C 34 177.451 176.670 0.781 1
1 318 . 4 1 1 A 34 34 ILE CA C 34 63.117 62.693 0.424 1
1 319 . 4 1 1 A 34 34 ILE CB C 34 37.637 37.493 0.144 1
1 323 . 4 1 1 A 34 34 ILE N N 34 116.459 114.313 2.146 1
1 324 . 4 1 1 A 35 35 HIS H H 35 7.182 8.110 -0.928 1
1 325 . 4 1 1 A 35 35 HIS HA H 35 4.828 4.636 0.192 1
1 330 . 4 1 1 A 35 35 HIS C C 35 175.851 174.520 1.331 1
1 331 . 4 1 1 A 35 35 HIS CA C 35 55.280 55.744 -0.464 1
1 332 . 4 1 1 A 35 35 HIS CB C 35 28.512 29.564 -1.052 1
1 335 . 4 1 1 A 35 35 HIS N N 35 117.602 120.272 -2.670 1
1 336 . 4 1 1 A 36 36 THR H H 36 7.747 7.544 0.203 1
1 337 . 4 1 1 A 36 36 THR HA H 36 4.331 4.719 -0.388 1
1 342 . 4 1 1 A 36 36 THR C C 36 175.469 172.377 3.092 1
1 343 . 4 1 1 A 36 36 THR CA C 36 62.467 59.569 2.898 1
1 344 . 4 1 1 A 36 36 THR CB C 36 69.824 71.376 -1.552 1
1 346 . 4 1 1 A 36 36 THR N N 36 111.513 113.843 -2.330 1
1 347 . 4 1 1 A 37 37 GLY H H 37 8.182 8.892 -0.710 1
1 348 . 4 1 1 A 37 37 GLY HA2 H 37 4.013 4.082 -0.069 1
1 349 . 4 1 1 A 37 37 GLY HA3 H 37 3.918 4.085 -0.167 1
1 350 . 4 1 1 A 37 37 GLY C C 37 174.052 172.624 1.428 1
1 351 . 4 1 1 A 37 37 GLY CA C 37 45.367 45.212 0.155 1
1 352 . 4 1 1 A 37 37 GLY N N 37 110.535 113.558 -3.023 1
1 353 . 4 1 1 A 38 38 GLU H H 38 8.052 8.853 -0.801 1
1 354 . 4 1 1 A 38 38 GLU HA H 38 4.218 5.099 -0.881 1
1 359 . 4 1 1 A 38 38 GLU CA C 38 56.434 54.901 1.533 1
1 360 . 4 1 1 A 38 38 GLU CB C 38 30.328 33.779 -3.451 1
1 362 . 4 1 1 A 38 38 GLU N N 38 120.571 122.097 -1.526 1
1 363 . 4 1 1 A 39 39 LYS H H 39 8.389 8.582 -0.193 1
1 364 . 4 1 1 A 39 39 LYS HA H 39 4.578 4.836 -0.258 1
1 373 . 4 1 1 A 39 39 LYS C C 39 173.753 174.116 -0.363 1
1 374 . 4 1 1 A 39 39 LYS CA C 39 54.091 53.072 1.019 1
1 375 . 4 1 1 A 39 39 LYS CB C 39 32.446 35.637 -3.191 1
1 379 . 4 1 1 A 39 39 LYS N N 39 123.889 119.852 4.037 1
1 380 . 4 1 1 A 40 40 PRO HA H 40 4.438 4.628 -0.190 1
1 387 . 4 1 1 A 40 40 PRO CA C 40 63.206 62.443 0.763 1
1 388 . 4 1 1 A 40 40 PRO CB C 40 32.136 33.522 -1.386 1
1 391 . 4 1 1 A 41 41 SER H H 41 8.460 8.874 -0.414 1
1 392 . 4 1 1 A 41 41 SER N N 41 116.511 115.122 1.389 1
1 393 . 4 1 1 A 42 42 GLY HA2 H 42 4.109 4.053 0.056 1
1 394 . 4 1 1 A 42 42 GLY HA3 H 42 4.109 4.053 0.056 1
1 395 . 4 1 1 A 42 42 GLY CA C 42 44.689 44.824 -0.135 1
1 396 . 4 1 1 A 43 43 PRO HA H 43 4.440 4.666 -0.226 1
1 403 . 4 1 1 A 43 43 PRO CA C 43 63.206 62.589 0.617 1
1 404 . 4 1 1 A 43 43 PRO CB C 43 32.100 31.720 0.380 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.489 4.807 -0.318 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 3.885 3.853 0.032 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.012 3.854 0.158 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.367 47.339 -1.972 1
1 5 . 5 1 1 A 8 8 THR HA H 8 4.329 4.467 -0.138 1
1 10 . 5 1 1 A 8 8 THR CA C 8 62.105 62.069 0.036 1
1 11 . 5 1 1 A 8 8 THR CB C 8 69.768 70.599 -0.831 1
1 13 . 5 1 1 A 9 9 GLY HA2 H 9 3.880 4.127 -0.247 1
1 14 . 5 1 1 A 9 9 GLY HA3 H 9 3.926 4.127 -0.201 1
1 15 . 5 1 1 A 9 9 GLY CA C 9 45.213 45.041 0.172 1
1 16 . 5 1 1 A 10 10 GLU H H 10 8.181 8.368 -0.187 1
1 17 . 5 1 1 A 10 10 GLU HA H 10 4.130 4.942 -0.812 1
1 22 . 5 1 1 A 10 10 GLU CA C 10 56.831 55.575 1.256 1
1 23 . 5 1 1 A 10 10 GLU CB C 10 30.246 30.887 -0.641 1
1 25 . 5 1 1 A 10 10 GLU N N 10 120.199 119.342 0.857 1
1 26 . 5 1 1 A 11 11 LYS H H 11 8.309 8.516 -0.207 1
1 27 . 5 1 1 A 11 11 LYS HA H 11 4.352 4.846 -0.494 1
1 36 . 5 1 1 A 11 11 LYS C C 11 174.507 176.690 -2.183 1
1 37 . 5 1 1 A 11 11 LYS CA C 11 53.748 54.349 -0.601 1
1 38 . 5 1 1 A 11 11 LYS CB C 11 33.171 32.323 0.848 1
1 42 . 5 1 1 A 11 11 LYS N N 11 121.525 121.106 0.419 1
1 43 . 5 1 1 A 12 12 PRO HA H 12 4.174 4.571 -0.397 1
1 50 . 5 1 1 A 12 12 PRO C C 12 176.557 176.144 0.413 1
1 51 . 5 1 1 A 12 12 PRO CA C 12 63.551 64.685 -1.134 1
1 52 . 5 1 1 A 12 12 PRO CB C 12 32.242 31.780 0.462 1
1 55 . 5 1 1 A 13 13 TYR H H 13 7.676 8.204 -0.528 1
1 56 . 5 1 1 A 13 13 TYR HA H 13 4.750 4.707 0.043 1
1 63 . 5 1 1 A 13 13 TYR C C 13 174.491 174.919 -0.428 1
1 64 . 5 1 1 A 13 13 TYR CA C 13 56.955 57.045 -0.090 1
1 65 . 5 1 1 A 13 13 TYR CB C 13 37.991 36.812 1.179 1
1 70 . 5 1 1 A 13 13 TYR N N 13 118.317 118.394 -0.077 1
1 71 . 5 1 1 A 14 14 LYS H H 14 8.550 7.809 0.741 1
1 72 . 5 1 1 A 14 14 LYS HA H 14 4.909 5.552 -0.643 1
1 81 . 5 1 1 A 14 14 LYS C C 14 175.291 175.513 -0.222 1
1 82 . 5 1 1 A 14 14 LYS CA C 14 55.212 55.239 -0.027 1
1 83 . 5 1 1 A 14 14 LYS CB C 14 35.202 34.424 0.778 1
1 87 . 5 1 1 A 14 14 LYS N N 14 124.883 121.458 3.425 1
1 88 . 5 1 1 A 15 15 CYS H H 15 9.179 8.936 0.243 1
1 89 . 5 1 1 A 15 15 CYS HA H 15 4.479 4.577 -0.098 1
1 92 . 5 1 1 A 15 15 CYS C C 15 177.105 175.292 1.813 1
1 93 . 5 1 1 A 15 15 CYS CA C 15 59.396 58.599 0.797 1
1 94 . 5 1 1 A 15 15 CYS CB C 15 29.557 27.342 2.215 1
1 95 . 5 1 1 A 15 15 CYS N N 15 126.023 121.223 4.800 1
1 96 . 5 1 1 A 16 16 ASN H H 16 9.374 8.429 0.945 1
1 97 . 5 1 1 A 16 16 ASN HA H 16 4.495 4.429 0.066 1
1 102 . 5 1 1 A 16 16 ASN C C 16 175.408 177.431 -2.023 1
1 103 . 5 1 1 A 16 16 ASN CA C 16 55.627 56.411 -0.784 1
1 104 . 5 1 1 A 16 16 ASN CB C 16 38.324 37.883 0.441 1
1 105 . 5 1 1 A 16 16 ASN N N 16 130.192 125.077 5.115 1
1 107 . 5 1 1 A 17 17 GLU H H 17 8.691 8.484 0.207 1
1 108 . 5 1 1 A 17 17 GLU HA H 17 4.198 3.989 0.209 1
1 113 . 5 1 1 A 17 17 GLU C C 17 177.098 178.103 -1.005 1
1 114 . 5 1 1 A 17 17 GLU CA C 17 58.381 59.005 -0.624 1
1 115 . 5 1 1 A 17 17 GLU CB C 17 29.486 28.696 0.790 1
1 117 . 5 1 1 A 17 17 GLU N N 17 120.808 119.804 1.004 1
1 118 . 5 1 1 A 18 18 CYS H H 18 7.886 7.706 0.180 1
1 119 . 5 1 1 A 18 18 CYS HA H 18 5.146 4.659 0.487 1
1 122 . 5 1 1 A 18 18 CYS C C 18 176.229 175.465 0.764 1
1 123 . 5 1 1 A 18 18 CYS CA C 18 58.295 59.750 -1.455 1
1 124 . 5 1 1 A 18 18 CYS CB C 18 32.487 29.849 2.638 1
1 125 . 5 1 1 A 18 18 CYS N N 18 114.653 115.039 -0.386 1
1 126 . 5 1 1 A 19 19 GLY H H 19 8.142 8.523 -0.381 1
1 127 . 5 1 1 A 19 19 GLY HA2 H 19 3.765 4.054 -0.289 1
1 128 . 5 1 1 A 19 19 GLY HA3 H 19 4.228 4.068 0.160 1
1 129 . 5 1 1 A 19 19 GLY C C 19 173.689 174.416 -0.727 1
1 130 . 5 1 1 A 19 19 GLY CA C 19 46.178 45.557 0.621 1
1 131 . 5 1 1 A 19 19 GLY N N 19 113.359 110.004 3.355 1
1 132 . 5 1 1 A 20 20 LYS H H 20 7.980 7.766 0.214 1
1 133 . 5 1 1 A 20 20 LYS HA H 20 3.915 4.449 -0.534 1
1 142 . 5 1 1 A 20 20 LYS C C 20 173.709 175.042 -1.333 1
1 143 . 5 1 1 A 20 20 LYS CA C 20 58.301 54.716 3.585 1
1 144 . 5 1 1 A 20 20 LYS CB C 20 33.533 33.803 -0.270 1
1 148 . 5 1 1 A 20 20 LYS N N 20 123.220 120.758 2.462 1
1 149 . 5 1 1 A 21 21 ALA H H 21 7.773 8.567 -0.794 1
1 150 . 5 1 1 A 21 21 ALA HA H 21 5.085 4.776 0.309 1
1 154 . 5 1 1 A 21 21 ALA C C 21 176.075 176.745 -0.670 1
1 155 . 5 1 1 A 21 21 ALA CA C 21 50.454 51.231 -0.777 1
1 156 . 5 1 1 A 21 21 ALA CB C 21 22.302 19.895 2.407 1
1 157 . 5 1 1 A 21 21 ALA N N 21 124.199 129.552 -5.353 1
1 158 . 5 1 1 A 22 22 PHE H H 22 8.752 8.777 -0.025 1
1 159 . 5 1 1 A 22 22 PHE HA H 22 4.758 4.976 -0.218 1
1 167 . 5 1 1 A 22 22 PHE C C 22 175.610 176.377 -0.767 1
1 168 . 5 1 1 A 22 22 PHE CA C 22 57.189 57.207 -0.018 1
1 169 . 5 1 1 A 22 22 PHE CB C 22 44.496 41.862 2.634 1
1 175 . 5 1 1 A 22 22 PHE N N 22 116.243 121.757 -5.514 1
1 176 . 5 1 1 A 23 23 SER HA H 23 4.703 4.496 0.207 1
1 179 . 5 1 1 A 23 23 SER CA C 23 59.910 60.777 -0.867 1
1 180 . 5 1 1 A 23 23 SER CB C 23 64.442 63.735 0.707 1
1 181 . 5 1 1 A 24 24 GLN H H 24 7.193 7.914 -0.721 1
1 182 . 5 1 1 A 24 24 GLN HA H 24 5.016 4.612 0.404 1
1 189 . 5 1 1 A 24 24 GLN CA C 24 54.212 53.915 0.297 1
1 190 . 5 1 1 A 24 24 GLN CB C 24 33.306 31.221 2.085 1
1 192 . 5 1 1 A 24 24 GLN N N 24 116.538 119.039 -2.501 1
1 194 . 5 1 1 A 25 25 THR HA H 25 3.308 3.653 -0.345 1
1 199 . 5 1 1 A 25 25 THR CA C 25 65.410 66.107 -0.697 1
1 200 . 5 1 1 A 25 25 THR CB C 25 67.602 68.594 -0.992 1
1 202 . 5 1 1 A 26 26 SER HA H 26 4.118 3.972 0.146 1
1 205 . 5 1 1 A 26 26 SER C C 26 177.127 177.260 -0.133 1
1 206 . 5 1 1 A 26 26 SER CA C 26 60.803 61.636 -0.833 1
1 207 . 5 1 1 A 26 26 SER CB C 26 61.469 62.886 -1.417 1
1 208 . 5 1 1 A 27 27 LYS H H 27 6.629 7.959 -1.330 1
1 209 . 5 1 1 A 27 27 LYS HA H 27 3.994 3.948 0.046 1
1 218 . 5 1 1 A 27 27 LYS C C 27 178.777 178.521 0.256 1
1 219 . 5 1 1 A 27 27 LYS CA C 27 58.430 59.425 -0.995 1
1 220 . 5 1 1 A 27 27 LYS CB C 27 32.710 32.437 0.273 1
1 224 . 5 1 1 A 27 27 LYS N N 27 121.916 121.252 0.664 1
1 225 . 5 1 1 A 28 28 LEU H H 28 7.010 7.648 -0.638 1
1 226 . 5 1 1 A 28 28 LEU HA H 28 3.123 1.411 1.712 1
1 236 . 5 1 1 A 28 28 LEU C C 28 177.314 177.588 -0.274 1
1 237 . 5 1 1 A 28 28 LEU CA C 28 57.755 57.301 0.454 1
1 238 . 5 1 1 A 28 28 LEU CB C 28 40.258 41.118 -0.860 1
1 242 . 5 1 1 A 28 28 LEU N N 28 122.007 121.187 0.820 1
1 243 . 5 1 1 A 29 29 ALA H H 29 8.109 8.125 -0.016 1
1 244 . 5 1 1 A 29 29 ALA HA H 29 4.132 4.047 0.085 1
1 248 . 5 1 1 A 29 29 ALA C C 29 180.600 179.282 1.318 1
1 249 . 5 1 1 A 29 29 ALA CA C 29 55.046 55.504 -0.458 1
1 250 . 5 1 1 A 29 29 ALA CB C 29 17.657 18.344 -0.687 1
1 251 . 5 1 1 A 29 29 ALA N N 29 120.851 120.535 0.316 1
1 252 . 5 1 1 A 30 30 ARG H H 30 7.359 8.225 -0.866 1
1 253 . 5 1 1 A 30 30 ARG HA H 30 3.923 3.934 -0.011 1
1 260 . 5 1 1 A 30 30 ARG C C 30 178.903 178.458 0.445 1
1 261 . 5 1 1 A 30 30 ARG CA C 30 58.961 58.452 0.509 1
1 262 . 5 1 1 A 30 30 ARG CB C 30 29.999 29.967 0.032 1
1 265 . 5 1 1 A 30 30 ARG N N 30 116.625 118.953 -2.328 1
1 266 . 5 1 1 A 31 31 HIS H H 31 7.521 7.984 -0.463 1
1 267 . 5 1 1 A 31 31 HIS HA H 31 4.176 4.251 -0.075 1
1 272 . 5 1 1 A 31 31 HIS C C 31 176.189 177.340 -1.151 1
1 273 . 5 1 1 A 31 31 HIS CA C 31 59.062 59.199 -0.137 1
1 274 . 5 1 1 A 31 31 HIS CB C 31 28.455 30.257 -1.802 1
1 277 . 5 1 1 A 31 31 HIS N N 31 119.368 119.311 0.057 1
1 278 . 5 1 1 A 32 32 GLN H H 32 8.334 8.787 -0.453 1
1 279 . 5 1 1 A 32 32 GLN HA H 32 3.658 4.003 -0.345 1
1 286 . 5 1 1 A 32 32 GLN C C 32 177.410 178.285 -0.875 1
1 287 . 5 1 1 A 32 32 GLN CA C 32 59.343 59.081 0.262 1
1 288 . 5 1 1 A 32 32 GLN CB C 32 28.331 28.264 0.067 1
1 290 . 5 1 1 A 32 32 GLN N N 32 115.359 118.110 -2.751 1
1 292 . 5 1 1 A 33 33 ARG H H 33 7.077 7.677 -0.600 1
1 293 . 5 1 1 A 33 33 ARG HA H 33 4.108 4.067 0.041 1
1 300 . 5 1 1 A 33 33 ARG C C 33 178.553 177.807 0.746 1
1 301 . 5 1 1 A 33 33 ARG CA C 33 58.250 58.233 0.017 1
1 302 . 5 1 1 A 33 33 ARG CB C 33 29.969 30.062 -0.093 1
1 305 . 5 1 1 A 33 33 ARG N N 33 117.106 118.523 -1.417 1
1 306 . 5 1 1 A 34 34 ILE H H 34 7.777 7.970 -0.193 1
1 307 . 5 1 1 A 34 34 ILE HA H 34 3.940 4.199 -0.259 1
1 317 . 5 1 1 A 34 34 ILE C C 34 177.451 176.434 1.017 1
1 318 . 5 1 1 A 34 34 ILE CA C 34 63.117 62.010 1.107 1
1 319 . 5 1 1 A 34 34 ILE CB C 34 37.637 37.781 -0.144 1
1 323 . 5 1 1 A 34 34 ILE N N 34 116.459 113.482 2.977 1
1 324 . 5 1 1 A 35 35 HIS H H 35 7.182 8.184 -1.002 1
1 325 . 5 1 1 A 35 35 HIS HA H 35 4.828 4.694 0.134 1
1 330 . 5 1 1 A 35 35 HIS C C 35 175.851 174.555 1.296 1
1 331 . 5 1 1 A 35 35 HIS CA C 35 55.280 55.641 -0.361 1
1 332 . 5 1 1 A 35 35 HIS CB C 35 28.512 29.558 -1.046 1
1 335 . 5 1 1 A 35 35 HIS N N 35 117.602 120.276 -2.674 1
1 336 . 5 1 1 A 36 36 THR H H 36 7.747 7.562 0.185 1
1 337 . 5 1 1 A 36 36 THR HA H 36 4.331 4.587 -0.256 1
1 342 . 5 1 1 A 36 36 THR C C 36 175.469 173.206 2.263 1
1 343 . 5 1 1 A 36 36 THR CA C 36 62.467 59.817 2.650 1
1 344 . 5 1 1 A 36 36 THR CB C 36 69.824 70.932 -1.108 1
1 346 . 5 1 1 A 36 36 THR N N 36 111.513 113.776 -2.263 1
1 347 . 5 1 1 A 37 37 GLY H H 37 8.182 8.982 -0.800 1
1 348 . 5 1 1 A 37 37 GLY HA2 H 37 4.013 3.860 0.153 1
1 349 . 5 1 1 A 37 37 GLY HA3 H 37 3.918 3.864 0.054 1
1 350 . 5 1 1 A 37 37 GLY C C 37 174.052 173.561 0.491 1
1 351 . 5 1 1 A 37 37 GLY CA C 37 45.367 47.416 -2.049 1
1 352 . 5 1 1 A 37 37 GLY N N 37 110.535 114.893 -4.358 1
1 353 . 5 1 1 A 38 38 GLU H H 38 8.052 8.516 -0.464 1
1 354 . 5 1 1 A 38 38 GLU HA H 38 4.218 4.306 -0.088 1
1 359 . 5 1 1 A 38 38 GLU CA C 38 56.434 56.722 -0.288 1
1 360 . 5 1 1 A 38 38 GLU CB C 38 30.328 30.363 -0.035 1
1 362 . 5 1 1 A 38 38 GLU N N 38 120.571 123.093 -2.522 1
1 363 . 5 1 1 A 39 39 LYS H H 39 8.389 8.368 0.021 1
1 364 . 5 1 1 A 39 39 LYS HA H 39 4.578 4.294 0.284 1
1 373 . 5 1 1 A 39 39 LYS C C 39 173.753 175.874 -2.121 1
1 374 . 5 1 1 A 39 39 LYS CA C 39 54.091 55.248 -1.157 1
1 375 . 5 1 1 A 39 39 LYS CB C 39 32.446 32.345 0.101 1
1 379 . 5 1 1 A 39 39 LYS N N 39 123.889 125.153 -1.264 1
1 380 . 5 1 1 A 40 40 PRO HA H 40 4.438 4.576 -0.138 1
1 387 . 5 1 1 A 40 40 PRO CA C 40 63.206 62.684 0.522 1
1 388 . 5 1 1 A 40 40 PRO CB C 40 32.136 31.774 0.362 1
1 391 . 5 1 1 A 41 41 SER H H 41 8.460 8.576 -0.116 1
1 392 . 5 1 1 A 41 41 SER N N 41 116.511 118.572 -2.061 1
1 393 . 5 1 1 A 42 42 GLY HA2 H 42 4.109 4.073 0.036 1
1 394 . 5 1 1 A 42 42 GLY HA3 H 42 4.109 4.073 0.036 1
1 395 . 5 1 1 A 42 42 GLY CA C 42 44.689 44.471 0.218 1
1 396 . 5 1 1 A 43 43 PRO HA H 43 4.440 4.622 -0.182 1
1 403 . 5 1 1 A 43 43 PRO CA C 43 63.206 62.617 0.589 1
1 404 . 5 1 1 A 43 43 PRO CB C 43 32.100 33.094 -0.994 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.489 4.269 0.220 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 3.885 4.364 -0.479 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.012 4.366 -0.354 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.367 44.767 0.600 1
1 5 . 6 1 1 A 8 8 THR HA H 8 4.329 4.744 -0.415 1
1 10 . 6 1 1 A 8 8 THR CA C 8 62.105 61.566 0.539 1
1 11 . 6 1 1 A 8 8 THR CB C 8 69.768 69.663 0.105 1
1 13 . 6 1 1 A 9 9 GLY HA2 H 9 3.880 4.167 -0.287 1
1 14 . 6 1 1 A 9 9 GLY HA3 H 9 3.926 4.169 -0.243 1
1 15 . 6 1 1 A 9 9 GLY CA C 9 45.213 45.802 -0.589 1
1 16 . 6 1 1 A 10 10 GLU H H 10 8.181 8.592 -0.411 1
1 17 . 6 1 1 A 10 10 GLU HA H 10 4.130 4.193 -0.063 1
1 22 . 6 1 1 A 10 10 GLU CA C 10 56.831 57.631 -0.800 1
1 23 . 6 1 1 A 10 10 GLU CB C 10 30.246 30.005 0.241 1
1 25 . 6 1 1 A 10 10 GLU N N 10 120.199 121.520 -1.321 1
1 26 . 6 1 1 A 11 11 LYS H H 11 8.309 8.558 -0.249 1
1 27 . 6 1 1 A 11 11 LYS HA H 11 4.352 4.914 -0.562 1
1 36 . 6 1 1 A 11 11 LYS C C 11 174.507 176.841 -2.334 1
1 37 . 6 1 1 A 11 11 LYS CA C 11 53.748 54.826 -1.078 1
1 38 . 6 1 1 A 11 11 LYS CB C 11 33.171 32.186 0.985 1
1 42 . 6 1 1 A 11 11 LYS N N 11 121.525 121.534 -0.009 1
1 43 . 6 1 1 A 12 12 PRO HA H 12 4.174 4.545 -0.371 1
1 50 . 6 1 1 A 12 12 PRO C C 12 176.557 176.080 0.477 1
1 51 . 6 1 1 A 12 12 PRO CA C 12 63.551 64.666 -1.115 1
1 52 . 6 1 1 A 12 12 PRO CB C 12 32.242 31.680 0.562 1
1 55 . 6 1 1 A 13 13 TYR H H 13 7.676 8.142 -0.466 1
1 56 . 6 1 1 A 13 13 TYR HA H 13 4.750 4.761 -0.011 1
1 63 . 6 1 1 A 13 13 TYR C C 13 174.491 174.810 -0.319 1
1 64 . 6 1 1 A 13 13 TYR CA C 13 56.955 57.024 -0.069 1
1 65 . 6 1 1 A 13 13 TYR CB C 13 37.991 36.786 1.205 1
1 70 . 6 1 1 A 13 13 TYR N N 13 118.317 118.483 -0.166 1
1 71 . 6 1 1 A 14 14 LYS H H 14 8.550 7.754 0.796 1
1 72 . 6 1 1 A 14 14 LYS HA H 14 4.909 5.567 -0.658 1
1 81 . 6 1 1 A 14 14 LYS C C 14 175.291 175.538 -0.247 1
1 82 . 6 1 1 A 14 14 LYS CA C 14 55.212 55.086 0.126 1
1 83 . 6 1 1 A 14 14 LYS CB C 14 35.202 34.822 0.380 1
1 87 . 6 1 1 A 14 14 LYS N N 14 124.883 121.419 3.464 1
1 88 . 6 1 1 A 15 15 CYS H H 15 9.179 9.097 0.082 1
1 89 . 6 1 1 A 15 15 CYS HA H 15 4.479 4.593 -0.114 1
1 92 . 6 1 1 A 15 15 CYS C C 15 177.105 176.271 0.834 1
1 93 . 6 1 1 A 15 15 CYS CA C 15 59.396 60.086 -0.690 1
1 94 . 6 1 1 A 15 15 CYS CB C 15 29.557 28.738 0.819 1
1 95 . 6 1 1 A 15 15 CYS N N 15 126.023 121.604 4.419 1
1 96 . 6 1 1 A 16 16 ASN H H 16 9.374 8.920 0.454 1
1 97 . 6 1 1 A 16 16 ASN HA H 16 4.495 4.592 -0.097 1
1 102 . 6 1 1 A 16 16 ASN C C 16 175.408 177.369 -1.961 1
1 103 . 6 1 1 A 16 16 ASN CA C 16 55.627 55.559 0.068 1
1 104 . 6 1 1 A 16 16 ASN CB C 16 38.324 38.171 0.153 1
1 105 . 6 1 1 A 16 16 ASN N N 16 130.192 126.984 3.208 1
1 107 . 6 1 1 A 17 17 GLU H H 17 8.691 7.948 0.743 1
1 108 . 6 1 1 A 17 17 GLU HA H 17 4.198 4.056 0.142 1
1 113 . 6 1 1 A 17 17 GLU C C 17 177.098 178.524 -1.426 1
1 114 . 6 1 1 A 17 17 GLU CA C 17 58.381 58.921 -0.540 1
1 115 . 6 1 1 A 17 17 GLU CB C 17 29.486 29.765 -0.279 1
1 117 . 6 1 1 A 17 17 GLU N N 17 120.808 119.061 1.747 1
1 118 . 6 1 1 A 18 18 CYS H H 18 7.886 7.889 -0.003 1
1 119 . 6 1 1 A 18 18 CYS HA H 18 5.146 4.544 0.602 1
1 122 . 6 1 1 A 18 18 CYS C C 18 176.229 175.400 0.829 1
1 123 . 6 1 1 A 18 18 CYS CA C 18 58.295 59.921 -1.626 1
1 124 . 6 1 1 A 18 18 CYS CB C 18 32.487 29.254 3.233 1
1 125 . 6 1 1 A 18 18 CYS N N 18 114.653 114.826 -0.173 1
1 126 . 6 1 1 A 19 19 GLY H H 19 8.142 8.013 0.129 1
1 127 . 6 1 1 A 19 19 GLY HA2 H 19 3.765 3.999 -0.234 1
1 128 . 6 1 1 A 19 19 GLY HA3 H 19 4.228 4.013 0.215 1
1 129 . 6 1 1 A 19 19 GLY C C 19 173.689 174.432 -0.743 1
1 130 . 6 1 1 A 19 19 GLY CA C 19 46.178 45.740 0.438 1
1 131 . 6 1 1 A 19 19 GLY N N 19 113.359 110.166 3.193 1
1 132 . 6 1 1 A 20 20 LYS H H 20 7.980 7.716 0.264 1
1 133 . 6 1 1 A 20 20 LYS HA H 20 3.915 4.432 -0.517 1
1 142 . 6 1 1 A 20 20 LYS C C 20 173.709 175.193 -1.484 1
1 143 . 6 1 1 A 20 20 LYS CA C 20 58.301 54.634 3.667 1
1 144 . 6 1 1 A 20 20 LYS CB C 20 33.533 33.892 -0.359 1
1 148 . 6 1 1 A 20 20 LYS N N 20 123.220 120.739 2.481 1
1 149 . 6 1 1 A 21 21 ALA H H 21 7.773 8.579 -0.806 1
1 150 . 6 1 1 A 21 21 ALA HA H 21 5.085 4.994 0.091 1
1 154 . 6 1 1 A 21 21 ALA C C 21 176.075 176.286 -0.211 1
1 155 . 6 1 1 A 21 21 ALA CA C 21 50.454 50.453 0.001 1
1 156 . 6 1 1 A 21 21 ALA CB C 21 22.302 20.445 1.857 1
1 157 . 6 1 1 A 21 21 ALA N N 21 124.199 128.578 -4.379 1
1 158 . 6 1 1 A 22 22 PHE H H 22 8.752 8.942 -0.190 1
1 159 . 6 1 1 A 22 22 PHE HA H 22 4.758 4.963 -0.205 1
1 167 . 6 1 1 A 22 22 PHE C C 22 175.610 175.940 -0.330 1
1 168 . 6 1 1 A 22 22 PHE CA C 22 57.189 56.542 0.647 1
1 169 . 6 1 1 A 22 22 PHE CB C 22 44.496 42.471 2.025 1
1 175 . 6 1 1 A 22 22 PHE N N 22 116.243 120.372 -4.129 1
1 176 . 6 1 1 A 23 23 SER HA H 23 4.703 4.403 0.300 1
1 179 . 6 1 1 A 23 23 SER CA C 23 59.910 61.309 -1.399 1
1 180 . 6 1 1 A 23 23 SER CB C 23 64.442 63.595 0.847 1
1 181 . 6 1 1 A 24 24 GLN H H 24 7.193 7.593 -0.400 1
1 182 . 6 1 1 A 24 24 GLN HA H 24 5.016 4.646 0.370 1
1 189 . 6 1 1 A 24 24 GLN CA C 24 54.212 54.396 -0.184 1
1 190 . 6 1 1 A 24 24 GLN CB C 24 33.306 30.889 2.417 1
1 192 . 6 1 1 A 24 24 GLN N N 24 116.538 114.587 1.951 1
1 194 . 6 1 1 A 25 25 THR HA H 25 3.308 3.691 -0.383 1
1 199 . 6 1 1 A 25 25 THR CA C 25 65.410 65.989 -0.579 1
1 200 . 6 1 1 A 25 25 THR CB C 25 67.602 68.361 -0.759 1
1 202 . 6 1 1 A 26 26 SER HA H 26 4.118 3.963 0.155 1
1 205 . 6 1 1 A 26 26 SER C C 26 177.127 177.468 -0.341 1
1 206 . 6 1 1 A 26 26 SER CA C 26 60.803 61.623 -0.820 1
1 207 . 6 1 1 A 26 26 SER CB C 26 61.469 62.991 -1.522 1
1 208 . 6 1 1 A 27 27 LYS H H 27 6.629 7.981 -1.352 1
1 209 . 6 1 1 A 27 27 LYS HA H 27 3.994 3.940 0.054 1
1 218 . 6 1 1 A 27 27 LYS C C 27 178.777 178.593 0.184 1
1 219 . 6 1 1 A 27 27 LYS CA C 27 58.430 59.445 -1.015 1
1 220 . 6 1 1 A 27 27 LYS CB C 27 32.710 32.733 -0.023 1
1 224 . 6 1 1 A 27 27 LYS N N 27 121.916 120.997 0.919 1
1 225 . 6 1 1 A 28 28 LEU H H 28 7.010 7.756 -0.746 1
1 226 . 6 1 1 A 28 28 LEU HA H 28 3.123 1.518 1.605 1
1 236 . 6 1 1 A 28 28 LEU C C 28 177.314 177.664 -0.350 1
1 237 . 6 1 1 A 28 28 LEU CA C 28 57.755 57.401 0.354 1
1 238 . 6 1 1 A 28 28 LEU CB C 28 40.258 41.401 -1.143 1
1 242 . 6 1 1 A 28 28 LEU N N 28 122.007 121.203 0.804 1
1 243 . 6 1 1 A 29 29 ALA H H 29 8.109 8.378 -0.269 1
1 244 . 6 1 1 A 29 29 ALA HA H 29 4.132 3.999 0.133 1
1 248 . 6 1 1 A 29 29 ALA C C 29 180.600 179.245 1.355 1
1 249 . 6 1 1 A 29 29 ALA CA C 29 55.046 55.387 -0.341 1
1 250 . 6 1 1 A 29 29 ALA CB C 29 17.657 18.505 -0.848 1
1 251 . 6 1 1 A 29 29 ALA N N 29 120.851 120.168 0.683 1
1 252 . 6 1 1 A 30 30 ARG H H 30 7.359 8.220 -0.861 1
1 253 . 6 1 1 A 30 30 ARG HA H 30 3.923 3.945 -0.022 1
1 260 . 6 1 1 A 30 30 ARG C C 30 178.903 178.420 0.483 1
1 261 . 6 1 1 A 30 30 ARG CA C 30 58.961 58.503 0.458 1
1 262 . 6 1 1 A 30 30 ARG CB C 30 29.999 29.980 0.019 1
1 265 . 6 1 1 A 30 30 ARG N N 30 116.625 118.590 -1.965 1
1 266 . 6 1 1 A 31 31 HIS H H 31 7.521 8.039 -0.518 1
1 267 . 6 1 1 A 31 31 HIS HA H 31 4.176 4.231 -0.055 1
1 272 . 6 1 1 A 31 31 HIS C C 31 176.189 177.258 -1.069 1
1 273 . 6 1 1 A 31 31 HIS CA C 31 59.062 59.173 -0.111 1
1 274 . 6 1 1 A 31 31 HIS CB C 31 28.455 30.224 -1.769 1
1 277 . 6 1 1 A 31 31 HIS N N 31 119.368 119.281 0.087 1
1 278 . 6 1 1 A 32 32 GLN H H 32 8.334 8.672 -0.338 1
1 279 . 6 1 1 A 32 32 GLN HA H 32 3.658 4.032 -0.374 1
1 286 . 6 1 1 A 32 32 GLN C C 32 177.410 178.154 -0.744 1
1 287 . 6 1 1 A 32 32 GLN CA C 32 59.343 58.765 0.578 1
1 288 . 6 1 1 A 32 32 GLN CB C 32 28.331 28.415 -0.084 1
1 290 . 6 1 1 A 32 32 GLN N N 32 115.359 118.393 -3.034 1
1 292 . 6 1 1 A 33 33 ARG H H 33 7.077 7.704 -0.627 1
1 293 . 6 1 1 A 33 33 ARG HA H 33 4.108 4.053 0.055 1
1 300 . 6 1 1 A 33 33 ARG C C 33 178.553 178.136 0.417 1
1 301 . 6 1 1 A 33 33 ARG CA C 33 58.250 58.451 -0.201 1
1 302 . 6 1 1 A 33 33 ARG CB C 33 29.969 30.249 -0.280 1
1 305 . 6 1 1 A 33 33 ARG N N 33 117.106 119.016 -1.910 1
1 306 . 6 1 1 A 34 34 ILE H H 34 7.777 7.779 -0.002 1
1 307 . 6 1 1 A 34 34 ILE HA H 34 3.940 3.875 0.065 1
1 317 . 6 1 1 A 34 34 ILE C C 34 177.451 176.880 0.571 1
1 318 . 6 1 1 A 34 34 ILE CA C 34 63.117 62.537 0.580 1
1 319 . 6 1 1 A 34 34 ILE CB C 34 37.637 37.471 0.166 1
1 323 . 6 1 1 A 34 34 ILE N N 34 116.459 114.628 1.831 1
1 324 . 6 1 1 A 35 35 HIS H H 35 7.182 7.825 -0.643 1
1 325 . 6 1 1 A 35 35 HIS HA H 35 4.828 4.432 0.396 1
1 330 . 6 1 1 A 35 35 HIS C C 35 175.851 176.831 -0.980 1
1 331 . 6 1 1 A 35 35 HIS CA C 35 55.280 58.566 -3.286 1
1 332 . 6 1 1 A 35 35 HIS CB C 35 28.512 30.721 -2.209 1
1 335 . 6 1 1 A 35 35 HIS N N 35 117.602 119.954 -2.352 1
1 336 . 6 1 1 A 36 36 THR H H 36 7.747 7.343 0.404 1
1 337 . 6 1 1 A 36 36 THR HA H 36 4.331 4.273 0.058 1
1 342 . 6 1 1 A 36 36 THR C C 36 175.469 174.742 0.727 1
1 343 . 6 1 1 A 36 36 THR CA C 36 62.467 63.420 -0.953 1
1 344 . 6 1 1 A 36 36 THR CB C 36 69.824 69.588 0.236 1
1 346 . 6 1 1 A 36 36 THR N N 36 111.513 112.031 -0.518 1
1 347 . 6 1 1 A 37 37 GLY H H 37 8.182 8.017 0.165 1
1 348 . 6 1 1 A 37 37 GLY HA2 H 37 4.013 3.898 0.115 1
1 349 . 6 1 1 A 37 37 GLY HA3 H 37 3.918 3.912 0.006 1
1 350 . 6 1 1 A 37 37 GLY C C 37 174.052 175.147 -1.095 1
1 351 . 6 1 1 A 37 37 GLY CA C 37 45.367 46.740 -1.373 1
1 352 . 6 1 1 A 37 37 GLY N N 37 110.535 109.521 1.014 1
1 353 . 6 1 1 A 38 38 GLU H H 38 8.052 8.333 -0.281 1
1 354 . 6 1 1 A 38 38 GLU HA H 38 4.218 4.549 -0.331 1
1 359 . 6 1 1 A 38 38 GLU CA C 38 56.434 57.133 -0.699 1
1 360 . 6 1 1 A 38 38 GLU CB C 38 30.328 31.472 -1.144 1
1 362 . 6 1 1 A 38 38 GLU N N 38 120.571 117.923 2.648 1
1 363 . 6 1 1 A 39 39 LYS H H 39 8.389 7.868 0.521 1
1 364 . 6 1 1 A 39 39 LYS HA H 39 4.578 4.582 -0.004 1
1 373 . 6 1 1 A 39 39 LYS C C 39 173.753 174.100 -0.347 1
1 374 . 6 1 1 A 39 39 LYS CA C 39 54.091 53.508 0.583 1
1 375 . 6 1 1 A 39 39 LYS CB C 39 32.446 32.715 -0.269 1
1 379 . 6 1 1 A 39 39 LYS N N 39 123.889 120.282 3.607 1
1 380 . 6 1 1 A 40 40 PRO HA H 40 4.438 4.545 -0.107 1
1 387 . 6 1 1 A 40 40 PRO CA C 40 63.206 62.314 0.892 1
1 388 . 6 1 1 A 40 40 PRO CB C 40 32.136 32.763 -0.627 1
1 391 . 6 1 1 A 41 41 SER H H 41 8.460 8.878 -0.418 1
1 392 . 6 1 1 A 41 41 SER N N 41 116.511 118.149 -1.638 1
1 393 . 6 1 1 A 42 42 GLY HA2 H 42 4.109 4.029 0.080 1
1 394 . 6 1 1 A 42 42 GLY HA3 H 42 4.109 4.030 0.079 1
1 395 . 6 1 1 A 42 42 GLY CA C 42 44.689 44.498 0.191 1
1 396 . 6 1 1 A 43 43 PRO HA H 43 4.440 4.456 -0.016 1
1 403 . 6 1 1 A 43 43 PRO CA C 43 63.206 64.704 -1.498 1
1 404 . 6 1 1 A 43 43 PRO CB C 43 32.100 32.155 -0.055 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.489 4.171 0.318 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 3.885 4.011 -0.126 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.012 4.012 0.000 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.367 44.224 1.143 1
1 5 . 7 1 1 A 8 8 THR HA H 8 4.329 4.930 -0.601 1
1 10 . 7 1 1 A 8 8 THR CA C 8 62.105 60.210 1.895 1
1 11 . 7 1 1 A 8 8 THR CB C 8 69.768 70.337 -0.569 1
1 13 . 7 1 1 A 9 9 GLY HA2 H 9 3.880 4.075 -0.195 1
1 14 . 7 1 1 A 9 9 GLY HA3 H 9 3.926 4.077 -0.151 1
1 15 . 7 1 1 A 9 9 GLY CA C 9 45.213 44.800 0.413 1
1 16 . 7 1 1 A 10 10 GLU H H 10 8.181 8.552 -0.371 1
1 17 . 7 1 1 A 10 10 GLU HA H 10 4.130 4.418 -0.288 1
1 22 . 7 1 1 A 10 10 GLU CA C 10 56.831 56.847 -0.016 1
1 23 . 7 1 1 A 10 10 GLU CB C 10 30.246 30.084 0.162 1
1 25 . 7 1 1 A 10 10 GLU N N 10 120.199 121.428 -1.229 1
1 26 . 7 1 1 A 11 11 LYS H H 11 8.309 8.546 -0.237 1
1 27 . 7 1 1 A 11 11 LYS HA H 11 4.352 4.815 -0.463 1
1 36 . 7 1 1 A 11 11 LYS C C 11 174.507 176.693 -2.186 1
1 37 . 7 1 1 A 11 11 LYS CA C 11 53.748 54.249 -0.501 1
1 38 . 7 1 1 A 11 11 LYS CB C 11 33.171 32.295 0.876 1
1 42 . 7 1 1 A 11 11 LYS N N 11 121.525 121.175 0.350 1
1 43 . 7 1 1 A 12 12 PRO HA H 12 4.174 4.545 -0.371 1
1 50 . 7 1 1 A 12 12 PRO C C 12 176.557 176.720 -0.163 1
1 51 . 7 1 1 A 12 12 PRO CA C 12 63.551 64.671 -1.120 1
1 52 . 7 1 1 A 12 12 PRO CB C 12 32.242 31.775 0.467 1
1 55 . 7 1 1 A 13 13 TYR H H 13 7.676 8.214 -0.538 1
1 56 . 7 1 1 A 13 13 TYR HA H 13 4.750 4.802 -0.052 1
1 63 . 7 1 1 A 13 13 TYR C C 13 174.491 175.291 -0.800 1
1 64 . 7 1 1 A 13 13 TYR CA C 13 56.955 57.483 -0.528 1
1 65 . 7 1 1 A 13 13 TYR CB C 13 37.991 37.534 0.457 1
1 70 . 7 1 1 A 13 13 TYR N N 13 118.317 117.484 0.833 1
1 71 . 7 1 1 A 14 14 LYS H H 14 8.550 7.489 1.061 1
1 72 . 7 1 1 A 14 14 LYS HA H 14 4.909 4.991 -0.082 1
1 81 . 7 1 1 A 14 14 LYS C C 14 175.291 176.242 -0.951 1
1 82 . 7 1 1 A 14 14 LYS CA C 14 55.212 56.521 -1.309 1
1 83 . 7 1 1 A 14 14 LYS CB C 14 35.202 33.244 1.958 1
1 87 . 7 1 1 A 14 14 LYS N N 14 124.883 118.776 6.107 1
1 88 . 7 1 1 A 15 15 CYS H H 15 9.179 8.890 0.289 1
1 89 . 7 1 1 A 15 15 CYS HA H 15 4.479 4.496 -0.017 1
1 92 . 7 1 1 A 15 15 CYS C C 15 177.105 176.511 0.594 1
1 93 . 7 1 1 A 15 15 CYS CA C 15 59.396 60.097 -0.701 1
1 94 . 7 1 1 A 15 15 CYS CB C 15 29.557 29.107 0.450 1
1 95 . 7 1 1 A 15 15 CYS N N 15 126.023 121.666 4.357 1
1 96 . 7 1 1 A 16 16 ASN H H 16 9.374 9.373 0.001 1
1 97 . 7 1 1 A 16 16 ASN HA H 16 4.495 4.604 -0.109 1
1 102 . 7 1 1 A 16 16 ASN C C 16 175.408 176.867 -1.459 1
1 103 . 7 1 1 A 16 16 ASN CA C 16 55.627 54.794 0.833 1
1 104 . 7 1 1 A 16 16 ASN CB C 16 38.324 38.562 -0.238 1
1 105 . 7 1 1 A 16 16 ASN N N 16 130.192 127.979 2.213 1
1 107 . 7 1 1 A 17 17 GLU H H 17 8.691 7.885 0.806 1
1 108 . 7 1 1 A 17 17 GLU HA H 17 4.198 4.072 0.126 1
1 113 . 7 1 1 A 17 17 GLU C C 17 177.098 178.314 -1.216 1
1 114 . 7 1 1 A 17 17 GLU CA C 17 58.381 58.995 -0.614 1
1 115 . 7 1 1 A 17 17 GLU CB C 17 29.486 29.849 -0.363 1
1 117 . 7 1 1 A 17 17 GLU N N 17 120.808 118.353 2.455 1
1 118 . 7 1 1 A 18 18 CYS H H 18 7.886 7.930 -0.044 1
1 119 . 7 1 1 A 18 18 CYS HA H 18 5.146 4.552 0.594 1
1 122 . 7 1 1 A 18 18 CYS C C 18 176.229 175.300 0.929 1
1 123 . 7 1 1 A 18 18 CYS CA C 18 58.295 60.122 -1.827 1
1 124 . 7 1 1 A 18 18 CYS CB C 18 32.487 29.264 3.223 1
1 125 . 7 1 1 A 18 18 CYS N N 18 114.653 114.971 -0.318 1
1 126 . 7 1 1 A 19 19 GLY H H 19 8.142 8.174 -0.032 1
1 127 . 7 1 1 A 19 19 GLY HA2 H 19 3.765 4.043 -0.278 1
1 128 . 7 1 1 A 19 19 GLY HA3 H 19 4.228 4.055 0.173 1
1 129 . 7 1 1 A 19 19 GLY C C 19 173.689 174.392 -0.703 1
1 130 . 7 1 1 A 19 19 GLY CA C 19 46.178 45.325 0.853 1
1 131 . 7 1 1 A 19 19 GLY N N 19 113.359 109.944 3.415 1
1 132 . 7 1 1 A 20 20 LYS H H 20 7.980 7.862 0.118 1
1 133 . 7 1 1 A 20 20 LYS HA H 20 3.915 4.386 -0.471 1
1 142 . 7 1 1 A 20 20 LYS C C 20 173.709 175.179 -1.470 1
1 143 . 7 1 1 A 20 20 LYS CA C 20 58.301 54.931 3.370 1
1 144 . 7 1 1 A 20 20 LYS CB C 20 33.533 33.358 0.175 1
1 148 . 7 1 1 A 20 20 LYS N N 20 123.220 121.472 1.748 1
1 149 . 7 1 1 A 21 21 ALA H H 21 7.773 8.483 -0.710 1
1 150 . 7 1 1 A 21 21 ALA HA H 21 5.085 4.897 0.188 1
1 154 . 7 1 1 A 21 21 ALA C C 21 176.075 176.727 -0.652 1
1 155 . 7 1 1 A 21 21 ALA CA C 21 50.454 51.039 -0.585 1
1 156 . 7 1 1 A 21 21 ALA CB C 21 22.302 20.190 2.112 1
1 157 . 7 1 1 A 21 21 ALA N N 21 124.199 129.320 -5.121 1
1 158 . 7 1 1 A 22 22 PHE H H 22 8.752 9.020 -0.268 1
1 159 . 7 1 1 A 22 22 PHE HA H 22 4.758 5.003 -0.245 1
1 167 . 7 1 1 A 22 22 PHE C C 22 175.610 175.447 0.163 1
1 168 . 7 1 1 A 22 22 PHE CA C 22 57.189 56.494 0.695 1
1 169 . 7 1 1 A 22 22 PHE CB C 22 44.496 42.943 1.553 1
1 175 . 7 1 1 A 22 22 PHE N N 22 116.243 120.455 -4.212 1
1 176 . 7 1 1 A 23 23 SER HA H 23 4.703 4.748 -0.045 1
1 179 . 7 1 1 A 23 23 SER CA C 23 59.910 59.105 0.805 1
1 180 . 7 1 1 A 23 23 SER CB C 23 64.442 64.924 -0.482 1
1 181 . 7 1 1 A 24 24 GLN H H 24 7.193 7.637 -0.444 1
1 182 . 7 1 1 A 24 24 GLN HA H 24 5.016 4.609 0.407 1
1 189 . 7 1 1 A 24 24 GLN CA C 24 54.212 54.242 -0.030 1
1 190 . 7 1 1 A 24 24 GLN CB C 24 33.306 30.752 2.554 1
1 192 . 7 1 1 A 24 24 GLN N N 24 116.538 119.347 -2.809 1
1 194 . 7 1 1 A 25 25 THR HA H 25 3.308 3.793 -0.485 1
1 199 . 7 1 1 A 25 25 THR CA C 25 65.410 65.792 -0.382 1
1 200 . 7 1 1 A 25 25 THR CB C 25 67.602 68.536 -0.934 1
1 202 . 7 1 1 A 26 26 SER HA H 26 4.118 4.077 0.041 1
1 205 . 7 1 1 A 26 26 SER C C 26 177.127 176.956 0.171 1
1 206 . 7 1 1 A 26 26 SER CA C 26 60.803 61.533 -0.730 1
1 207 . 7 1 1 A 26 26 SER CB C 26 61.469 62.633 -1.164 1
1 208 . 7 1 1 A 27 27 LYS H H 27 6.629 7.748 -1.119 1
1 209 . 7 1 1 A 27 27 LYS HA H 27 3.994 3.957 0.037 1
1 218 . 7 1 1 A 27 27 LYS C C 27 178.777 178.746 0.031 1
1 219 . 7 1 1 A 27 27 LYS CA C 27 58.430 59.350 -0.920 1
1 220 . 7 1 1 A 27 27 LYS CB C 27 32.710 32.535 0.175 1
1 224 . 7 1 1 A 27 27 LYS N N 27 121.916 121.776 0.140 1
1 225 . 7 1 1 A 28 28 LEU H H 28 7.010 7.623 -0.613 1
1 226 . 7 1 1 A 28 28 LEU HA H 28 3.123 2.426 0.697 1
1 236 . 7 1 1 A 28 28 LEU C C 28 177.314 177.691 -0.377 1
1 237 . 7 1 1 A 28 28 LEU CA C 28 57.755 57.633 0.122 1
1 238 . 7 1 1 A 28 28 LEU CB C 28 40.258 41.520 -1.262 1
1 242 . 7 1 1 A 28 28 LEU N N 28 122.007 121.146 0.861 1
1 243 . 7 1 1 A 29 29 ALA H H 29 8.109 8.048 0.061 1
1 244 . 7 1 1 A 29 29 ALA HA H 29 4.132 4.082 0.050 1
1 248 . 7 1 1 A 29 29 ALA C C 29 180.600 179.278 1.322 1
1 249 . 7 1 1 A 29 29 ALA CA C 29 55.046 55.450 -0.404 1
1 250 . 7 1 1 A 29 29 ALA CB C 29 17.657 18.411 -0.754 1
1 251 . 7 1 1 A 29 29 ALA N N 29 120.851 120.417 0.434 1
1 252 . 7 1 1 A 30 30 ARG H H 30 7.359 7.970 -0.611 1
1 253 . 7 1 1 A 30 30 ARG HA H 30 3.923 4.043 -0.120 1
1 260 . 7 1 1 A 30 30 ARG C C 30 178.903 178.456 0.447 1
1 261 . 7 1 1 A 30 30 ARG CA C 30 58.961 58.566 0.395 1
1 262 . 7 1 1 A 30 30 ARG CB C 30 29.999 29.978 0.021 1
1 265 . 7 1 1 A 30 30 ARG N N 30 116.625 118.599 -1.974 1
1 266 . 7 1 1 A 31 31 HIS H H 31 7.521 7.952 -0.431 1
1 267 . 7 1 1 A 31 31 HIS HA H 31 4.176 4.206 -0.030 1
1 272 . 7 1 1 A 31 31 HIS C C 31 176.189 177.329 -1.140 1
1 273 . 7 1 1 A 31 31 HIS CA C 31 59.062 59.068 -0.006 1
1 274 . 7 1 1 A 31 31 HIS CB C 31 28.455 30.075 -1.620 1
1 277 . 7 1 1 A 31 31 HIS N N 31 119.368 119.236 0.132 1
1 278 . 7 1 1 A 32 32 GLN H H 32 8.334 8.613 -0.279 1
1 279 . 7 1 1 A 32 32 GLN HA H 32 3.658 3.963 -0.305 1
1 286 . 7 1 1 A 32 32 GLN C C 32 177.410 178.340 -0.930 1
1 287 . 7 1 1 A 32 32 GLN CA C 32 59.343 59.048 0.295 1
1 288 . 7 1 1 A 32 32 GLN CB C 32 28.331 28.273 0.058 1
1 290 . 7 1 1 A 32 32 GLN N N 32 115.359 118.135 -2.776 1
1 292 . 7 1 1 A 33 33 ARG H H 33 7.077 7.703 -0.626 1
1 293 . 7 1 1 A 33 33 ARG HA H 33 4.108 4.078 0.030 1
1 300 . 7 1 1 A 33 33 ARG C C 33 178.553 177.679 0.874 1
1 301 . 7 1 1 A 33 33 ARG CA C 33 58.250 58.179 0.071 1
1 302 . 7 1 1 A 33 33 ARG CB C 33 29.969 30.038 -0.069 1
1 305 . 7 1 1 A 33 33 ARG N N 33 117.106 118.431 -1.325 1
1 306 . 7 1 1 A 34 34 ILE H H 34 7.777 8.021 -0.244 1
1 307 . 7 1 1 A 34 34 ILE HA H 34 3.940 4.056 -0.116 1
1 317 . 7 1 1 A 34 34 ILE C C 34 177.451 176.536 0.915 1
1 318 . 7 1 1 A 34 34 ILE CA C 34 63.117 62.101 1.016 1
1 319 . 7 1 1 A 34 34 ILE CB C 34 37.637 37.643 -0.006 1
1 323 . 7 1 1 A 34 34 ILE N N 34 116.459 114.477 1.982 1
1 324 . 7 1 1 A 35 35 HIS H H 35 7.182 8.049 -0.867 1
1 325 . 7 1 1 A 35 35 HIS HA H 35 4.828 4.450 0.378 1
1 330 . 7 1 1 A 35 35 HIS C C 35 175.851 175.142 0.709 1
1 331 . 7 1 1 A 35 35 HIS CA C 35 55.280 57.370 -2.090 1
1 332 . 7 1 1 A 35 35 HIS CB C 35 28.512 30.447 -1.935 1
1 335 . 7 1 1 A 35 35 HIS N N 35 117.602 119.156 -1.554 1
1 336 . 7 1 1 A 36 36 THR H H 36 7.747 7.606 0.141 1
1 337 . 7 1 1 A 36 36 THR HA H 36 4.331 4.296 0.035 1
1 342 . 7 1 1 A 36 36 THR C C 36 175.469 175.940 -0.471 1
1 343 . 7 1 1 A 36 36 THR CA C 36 62.467 61.271 1.196 1
1 344 . 7 1 1 A 36 36 THR CB C 36 69.824 70.505 -0.681 1
1 346 . 7 1 1 A 36 36 THR N N 36 111.513 114.365 -2.852 1
1 347 . 7 1 1 A 37 37 GLY H H 37 8.182 8.580 -0.398 1
1 348 . 7 1 1 A 37 37 GLY HA2 H 37 4.013 3.797 0.216 1
1 349 . 7 1 1 A 37 37 GLY HA3 H 37 3.918 3.798 0.120 1
1 350 . 7 1 1 A 37 37 GLY C C 37 174.052 173.320 0.732 1
1 351 . 7 1 1 A 37 37 GLY CA C 37 45.367 46.546 -1.179 1
1 352 . 7 1 1 A 37 37 GLY N N 37 110.535 112.417 -1.882 1
1 353 . 7 1 1 A 38 38 GLU H H 38 8.052 8.234 -0.182 1
1 354 . 7 1 1 A 38 38 GLU HA H 38 4.218 4.918 -0.700 1
1 359 . 7 1 1 A 38 38 GLU CA C 38 56.434 54.796 1.638 1
1 360 . 7 1 1 A 38 38 GLU CB C 38 30.328 33.173 -2.845 1
1 362 . 7 1 1 A 38 38 GLU N N 38 120.571 122.523 -1.952 1
1 363 . 7 1 1 A 39 39 LYS H H 39 8.389 8.442 -0.053 1
1 364 . 7 1 1 A 39 39 LYS HA H 39 4.578 4.724 -0.146 1
1 373 . 7 1 1 A 39 39 LYS C C 39 173.753 174.494 -0.741 1
1 374 . 7 1 1 A 39 39 LYS CA C 39 54.091 53.061 1.030 1
1 375 . 7 1 1 A 39 39 LYS CB C 39 32.446 33.346 -0.900 1
1 379 . 7 1 1 A 39 39 LYS N N 39 123.889 124.888 -0.999 1
1 380 . 7 1 1 A 40 40 PRO HA H 40 4.438 4.702 -0.264 1
1 387 . 7 1 1 A 40 40 PRO CA C 40 63.206 62.356 0.850 1
1 388 . 7 1 1 A 40 40 PRO CB C 40 32.136 29.576 2.560 1
1 391 . 7 1 1 A 41 41 SER H H 41 8.460 8.150 0.310 1
1 392 . 7 1 1 A 41 41 SER N N 41 116.511 114.419 2.092 1
1 393 . 7 1 1 A 42 42 GLY HA2 H 42 4.109 4.143 -0.034 1
1 394 . 7 1 1 A 42 42 GLY HA3 H 42 4.109 4.144 -0.035 1
1 395 . 7 1 1 A 42 42 GLY CA C 42 44.689 44.705 -0.016 1
1 396 . 7 1 1 A 43 43 PRO HA H 43 4.440 4.777 -0.337 1
1 403 . 7 1 1 A 43 43 PRO CA C 43 63.206 62.329 0.877 1
1 404 . 7 1 1 A 43 43 PRO CB C 43 32.100 29.545 2.555 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.489 5.082 -0.593 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 3.885 4.116 -0.231 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.012 4.118 -0.106 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.367 44.384 0.983 1
1 5 . 8 1 1 A 8 8 THR HA H 8 4.329 5.032 -0.703 1
1 10 . 8 1 1 A 8 8 THR CA C 8 62.105 59.727 2.378 1
1 11 . 8 1 1 A 8 8 THR CB C 8 69.768 71.784 -2.016 1
1 13 . 8 1 1 A 9 9 GLY HA2 H 9 3.880 4.158 -0.278 1
1 14 . 8 1 1 A 9 9 GLY HA3 H 9 3.926 4.160 -0.234 1
1 15 . 8 1 1 A 9 9 GLY CA C 9 45.213 44.546 0.667 1
1 16 . 8 1 1 A 10 10 GLU H H 10 8.181 8.492 -0.311 1
1 17 . 8 1 1 A 10 10 GLU HA H 10 4.130 4.404 -0.274 1
1 22 . 8 1 1 A 10 10 GLU CA C 10 56.831 56.669 0.162 1
1 23 . 8 1 1 A 10 10 GLU CB C 10 30.246 30.030 0.216 1
1 25 . 8 1 1 A 10 10 GLU N N 10 120.199 120.470 -0.271 1
1 26 . 8 1 1 A 11 11 LYS H H 11 8.309 8.449 -0.140 1
1 27 . 8 1 1 A 11 11 LYS HA H 11 4.352 4.825 -0.473 1
1 36 . 8 1 1 A 11 11 LYS C C 11 174.507 176.756 -2.249 1
1 37 . 8 1 1 A 11 11 LYS CA C 11 53.748 54.260 -0.512 1
1 38 . 8 1 1 A 11 11 LYS CB C 11 33.171 32.280 0.891 1
1 42 . 8 1 1 A 11 11 LYS N N 11 121.525 121.423 0.102 1
1 43 . 8 1 1 A 12 12 PRO HA H 12 4.174 4.536 -0.362 1
1 50 . 8 1 1 A 12 12 PRO C C 12 176.557 176.247 0.310 1
1 51 . 8 1 1 A 12 12 PRO CA C 12 63.551 64.545 -0.994 1
1 52 . 8 1 1 A 12 12 PRO CB C 12 32.242 31.670 0.572 1
1 55 . 8 1 1 A 13 13 TYR H H 13 7.676 8.115 -0.439 1
1 56 . 8 1 1 A 13 13 TYR HA H 13 4.750 4.829 -0.079 1
1 63 . 8 1 1 A 13 13 TYR C C 13 174.491 175.079 -0.588 1
1 64 . 8 1 1 A 13 13 TYR CA C 13 56.955 57.306 -0.351 1
1 65 . 8 1 1 A 13 13 TYR CB C 13 37.991 37.618 0.373 1
1 70 . 8 1 1 A 13 13 TYR N N 13 118.317 117.644 0.673 1
1 71 . 8 1 1 A 14 14 LYS H H 14 8.550 7.473 1.077 1
1 72 . 8 1 1 A 14 14 LYS HA H 14 4.909 4.900 0.009 1
1 81 . 8 1 1 A 14 14 LYS C C 14 175.291 176.272 -0.981 1
1 82 . 8 1 1 A 14 14 LYS CA C 14 55.212 56.270 -1.058 1
1 83 . 8 1 1 A 14 14 LYS CB C 14 35.202 33.605 1.597 1
1 87 . 8 1 1 A 14 14 LYS N N 14 124.883 117.966 6.917 1
1 88 . 8 1 1 A 15 15 CYS H H 15 9.179 8.807 0.372 1
1 89 . 8 1 1 A 15 15 CYS HA H 15 4.479 4.454 0.025 1
1 92 . 8 1 1 A 15 15 CYS C C 15 177.105 176.411 0.694 1
1 93 . 8 1 1 A 15 15 CYS CA C 15 59.396 60.244 -0.848 1
1 94 . 8 1 1 A 15 15 CYS CB C 15 29.557 29.137 0.420 1
1 95 . 8 1 1 A 15 15 CYS N N 15 126.023 121.484 4.539 1
1 96 . 8 1 1 A 16 16 ASN H H 16 9.374 9.345 0.029 1
1 97 . 8 1 1 A 16 16 ASN HA H 16 4.495 4.526 -0.031 1
1 102 . 8 1 1 A 16 16 ASN C C 16 175.408 177.168 -1.760 1
1 103 . 8 1 1 A 16 16 ASN CA C 16 55.627 55.500 0.127 1
1 104 . 8 1 1 A 16 16 ASN CB C 16 38.324 38.530 -0.206 1
1 105 . 8 1 1 A 16 16 ASN N N 16 130.192 127.792 2.400 1
1 107 . 8 1 1 A 17 17 GLU H H 17 8.691 8.128 0.563 1
1 108 . 8 1 1 A 17 17 GLU HA H 17 4.198 3.951 0.247 1
1 113 . 8 1 1 A 17 17 GLU C C 17 177.098 178.320 -1.222 1
1 114 . 8 1 1 A 17 17 GLU CA C 17 58.381 58.798 -0.417 1
1 115 . 8 1 1 A 17 17 GLU CB C 17 29.486 29.118 0.368 1
1 117 . 8 1 1 A 17 17 GLU N N 17 120.808 118.491 2.317 1
1 118 . 8 1 1 A 18 18 CYS H H 18 7.886 7.885 0.001 1
1 119 . 8 1 1 A 18 18 CYS HA H 18 5.146 4.636 0.510 1
1 122 . 8 1 1 A 18 18 CYS C C 18 176.229 175.402 0.827 1
1 123 . 8 1 1 A 18 18 CYS CA C 18 58.295 59.876 -1.581 1
1 124 . 8 1 1 A 18 18 CYS CB C 18 32.487 29.555 2.932 1
1 125 . 8 1 1 A 18 18 CYS N N 18 114.653 115.085 -0.432 1
1 126 . 8 1 1 A 19 19 GLY H H 19 8.142 8.017 0.125 1
1 127 . 8 1 1 A 19 19 GLY HA2 H 19 3.765 3.993 -0.228 1
1 128 . 8 1 1 A 19 19 GLY HA3 H 19 4.228 4.002 0.226 1
1 129 . 8 1 1 A 19 19 GLY C C 19 173.689 174.330 -0.641 1
1 130 . 8 1 1 A 19 19 GLY CA C 19 46.178 45.950 0.228 1
1 131 . 8 1 1 A 19 19 GLY N N 19 113.359 110.169 3.190 1
1 132 . 8 1 1 A 20 20 LYS H H 20 7.980 7.680 0.300 1
1 133 . 8 1 1 A 20 20 LYS HA H 20 3.915 4.499 -0.584 1
1 142 . 8 1 1 A 20 20 LYS C C 20 173.709 175.067 -1.358 1
1 143 . 8 1 1 A 20 20 LYS CA C 20 58.301 54.705 3.596 1
1 144 . 8 1 1 A 20 20 LYS CB C 20 33.533 34.354 -0.821 1
1 148 . 8 1 1 A 20 20 LYS N N 20 123.220 120.317 2.903 1
1 149 . 8 1 1 A 21 21 ALA H H 21 7.773 8.629 -0.856 1
1 150 . 8 1 1 A 21 21 ALA HA H 21 5.085 4.872 0.213 1
1 154 . 8 1 1 A 21 21 ALA C C 21 176.075 176.803 -0.728 1
1 155 . 8 1 1 A 21 21 ALA CA C 21 50.454 51.479 -1.025 1
1 156 . 8 1 1 A 21 21 ALA CB C 21 22.302 20.050 2.252 1
1 157 . 8 1 1 A 21 21 ALA N N 21 124.199 129.487 -5.288 1
1 158 . 8 1 1 A 22 22 PHE H H 22 8.752 9.052 -0.300 1
1 159 . 8 1 1 A 22 22 PHE HA H 22 4.758 4.951 -0.193 1
1 167 . 8 1 1 A 22 22 PHE C C 22 175.610 176.278 -0.668 1
1 168 . 8 1 1 A 22 22 PHE CA C 22 57.189 56.752 0.437 1
1 169 . 8 1 1 A 22 22 PHE CB C 22 44.496 42.466 2.030 1
1 175 . 8 1 1 A 22 22 PHE N N 22 116.243 120.377 -4.134 1
1 176 . 8 1 1 A 23 23 SER HA H 23 4.703 4.495 0.208 1
1 179 . 8 1 1 A 23 23 SER CA C 23 59.910 59.861 0.049 1
1 180 . 8 1 1 A 23 23 SER CB C 23 64.442 63.374 1.068 1
1 181 . 8 1 1 A 24 24 GLN H H 24 7.193 7.935 -0.742 1
1 182 . 8 1 1 A 24 24 GLN HA H 24 5.016 4.673 0.343 1
1 189 . 8 1 1 A 24 24 GLN CA C 24 54.212 54.070 0.142 1
1 190 . 8 1 1 A 24 24 GLN CB C 24 33.306 31.274 2.032 1
1 192 . 8 1 1 A 24 24 GLN N N 24 116.538 119.113 -2.575 1
1 194 . 8 1 1 A 25 25 THR HA H 25 3.308 3.845 -0.537 1
1 199 . 8 1 1 A 25 25 THR CA C 25 65.410 66.301 -0.891 1
1 200 . 8 1 1 A 25 25 THR CB C 25 67.602 68.723 -1.121 1
1 202 . 8 1 1 A 26 26 SER HA H 26 4.118 3.953 0.165 1
1 205 . 8 1 1 A 26 26 SER C C 26 177.127 176.583 0.544 1
1 206 . 8 1 1 A 26 26 SER CA C 26 60.803 61.836 -1.033 1
1 207 . 8 1 1 A 26 26 SER CB C 26 61.469 62.770 -1.301 1
1 208 . 8 1 1 A 27 27 LYS H H 27 6.629 7.899 -1.270 1
1 209 . 8 1 1 A 27 27 LYS HA H 27 3.994 3.952 0.042 1
1 218 . 8 1 1 A 27 27 LYS C C 27 178.777 178.489 0.288 1
1 219 . 8 1 1 A 27 27 LYS CA C 27 58.430 59.299 -0.869 1
1 220 . 8 1 1 A 27 27 LYS CB C 27 32.710 32.617 0.093 1
1 224 . 8 1 1 A 27 27 LYS N N 27 121.916 122.059 -0.143 1
1 225 . 8 1 1 A 28 28 LEU H H 28 7.010 7.717 -0.707 1
1 226 . 8 1 1 A 28 28 LEU HA H 28 3.123 2.123 1.000 1
1 236 . 8 1 1 A 28 28 LEU C C 28 177.314 177.609 -0.295 1
1 237 . 8 1 1 A 28 28 LEU CA C 28 57.755 57.577 0.178 1
1 238 . 8 1 1 A 28 28 LEU CB C 28 40.258 41.337 -1.079 1
1 242 . 8 1 1 A 28 28 LEU N N 28 122.007 121.277 0.730 1
1 243 . 8 1 1 A 29 29 ALA H H 29 8.109 8.202 -0.093 1
1 244 . 8 1 1 A 29 29 ALA HA H 29 4.132 4.041 0.091 1
1 248 . 8 1 1 A 29 29 ALA C C 29 180.600 179.222 1.378 1
1 249 . 8 1 1 A 29 29 ALA CA C 29 55.046 55.439 -0.393 1
1 250 . 8 1 1 A 29 29 ALA CB C 29 17.657 18.522 -0.865 1
1 251 . 8 1 1 A 29 29 ALA N N 29 120.851 120.556 0.295 1
1 252 . 8 1 1 A 30 30 ARG H H 30 7.359 8.144 -0.785 1
1 253 . 8 1 1 A 30 30 ARG HA H 30 3.923 3.951 -0.028 1
1 260 . 8 1 1 A 30 30 ARG C C 30 178.903 178.360 0.543 1
1 261 . 8 1 1 A 30 30 ARG CA C 30 58.961 58.434 0.527 1
1 262 . 8 1 1 A 30 30 ARG CB C 30 29.999 29.994 0.005 1
1 265 . 8 1 1 A 30 30 ARG N N 30 116.625 118.444 -1.819 1
1 266 . 8 1 1 A 31 31 HIS H H 31 7.521 7.956 -0.435 1
1 267 . 8 1 1 A 31 31 HIS HA H 31 4.176 4.234 -0.058 1
1 272 . 8 1 1 A 31 31 HIS C C 31 176.189 177.377 -1.188 1
1 273 . 8 1 1 A 31 31 HIS CA C 31 59.062 59.214 -0.152 1
1 274 . 8 1 1 A 31 31 HIS CB C 31 28.455 30.127 -1.672 1
1 277 . 8 1 1 A 31 31 HIS N N 31 119.368 119.272 0.096 1
1 278 . 8 1 1 A 32 32 GLN H H 32 8.334 8.767 -0.433 1
1 279 . 8 1 1 A 32 32 GLN HA H 32 3.658 4.071 -0.413 1
1 286 . 8 1 1 A 32 32 GLN C C 32 177.410 178.294 -0.884 1
1 287 . 8 1 1 A 32 32 GLN CA C 32 59.343 59.148 0.195 1
1 288 . 8 1 1 A 32 32 GLN CB C 32 28.331 28.246 0.085 1
1 290 . 8 1 1 A 32 32 GLN N N 32 115.359 118.136 -2.777 1
1 292 . 8 1 1 A 33 33 ARG H H 33 7.077 7.698 -0.621 1
1 293 . 8 1 1 A 33 33 ARG HA H 33 4.108 4.064 0.044 1
1 300 . 8 1 1 A 33 33 ARG C C 33 178.553 177.801 0.752 1
1 301 . 8 1 1 A 33 33 ARG CA C 33 58.250 58.238 0.012 1
1 302 . 8 1 1 A 33 33 ARG CB C 33 29.969 30.069 -0.100 1
1 305 . 8 1 1 A 33 33 ARG N N 33 117.106 118.883 -1.777 1
1 306 . 8 1 1 A 34 34 ILE H H 34 7.777 8.005 -0.228 1
1 307 . 8 1 1 A 34 34 ILE HA H 34 3.940 4.005 -0.065 1
1 317 . 8 1 1 A 34 34 ILE C C 34 177.451 176.717 0.734 1
1 318 . 8 1 1 A 34 34 ILE CA C 34 63.117 62.147 0.970 1
1 319 . 8 1 1 A 34 34 ILE CB C 34 37.637 37.612 0.025 1
1 323 . 8 1 1 A 34 34 ILE N N 34 116.459 114.184 2.275 1
1 324 . 8 1 1 A 35 35 HIS H H 35 7.182 8.094 -0.912 1
1 325 . 8 1 1 A 35 35 HIS HA H 35 4.828 4.492 0.336 1
1 330 . 8 1 1 A 35 35 HIS C C 35 175.851 175.140 0.711 1
1 331 . 8 1 1 A 35 35 HIS CA C 35 55.280 57.334 -2.054 1
1 332 . 8 1 1 A 35 35 HIS CB C 35 28.512 31.069 -2.557 1
1 335 . 8 1 1 A 35 35 HIS N N 35 117.602 119.171 -1.569 1
1 336 . 8 1 1 A 36 36 THR H H 36 7.747 7.125 0.622 1
1 337 . 8 1 1 A 36 36 THR HA H 36 4.331 4.234 0.097 1
1 342 . 8 1 1 A 36 36 THR C C 36 175.469 174.666 0.803 1
1 343 . 8 1 1 A 36 36 THR CA C 36 62.467 62.090 0.377 1
1 344 . 8 1 1 A 36 36 THR CB C 36 69.824 69.722 0.102 1
1 346 . 8 1 1 A 36 36 THR N N 36 111.513 114.792 -3.279 1
1 347 . 8 1 1 A 37 37 GLY H H 37 8.182 8.541 -0.359 1
1 348 . 8 1 1 A 37 37 GLY HA2 H 37 4.013 4.024 -0.011 1
1 349 . 8 1 1 A 37 37 GLY HA3 H 37 3.918 4.025 -0.107 1
1 350 . 8 1 1 A 37 37 GLY C C 37 174.052 174.067 -0.015 1
1 351 . 8 1 1 A 37 37 GLY CA C 37 45.367 45.944 -0.577 1
1 352 . 8 1 1 A 37 37 GLY N N 37 110.535 115.204 -4.669 1
1 353 . 8 1 1 A 38 38 GLU H H 38 8.052 8.976 -0.924 1
1 354 . 8 1 1 A 38 38 GLU HA H 38 4.218 4.530 -0.312 1
1 359 . 8 1 1 A 38 38 GLU CA C 38 56.434 57.246 -0.812 1
1 360 . 8 1 1 A 38 38 GLU CB C 38 30.328 31.992 -1.664 1
1 362 . 8 1 1 A 38 38 GLU N N 38 120.571 125.807 -5.236 1
1 363 . 8 1 1 A 39 39 LYS H H 39 8.389 8.025 0.364 1
1 364 . 8 1 1 A 39 39 LYS HA H 39 4.578 4.761 -0.183 1
1 373 . 8 1 1 A 39 39 LYS C C 39 173.753 173.870 -0.117 1
1 374 . 8 1 1 A 39 39 LYS CA C 39 54.091 53.157 0.934 1
1 375 . 8 1 1 A 39 39 LYS CB C 39 32.446 33.911 -1.465 1
1 379 . 8 1 1 A 39 39 LYS N N 39 123.889 117.909 5.980 1
1 380 . 8 1 1 A 40 40 PRO HA H 40 4.438 4.597 -0.159 1
1 387 . 8 1 1 A 40 40 PRO CA C 40 63.206 62.321 0.885 1
1 388 . 8 1 1 A 40 40 PRO CB C 40 32.136 32.666 -0.530 1
1 391 . 8 1 1 A 41 41 SER H H 41 8.460 8.413 0.047 1
1 392 . 8 1 1 A 41 41 SER N N 41 116.511 118.492 -1.981 1
1 393 . 8 1 1 A 42 42 GLY HA2 H 42 4.109 4.274 -0.165 1
1 394 . 8 1 1 A 42 42 GLY HA3 H 42 4.109 4.276 -0.167 1
1 395 . 8 1 1 A 42 42 GLY CA C 42 44.689 45.629 -0.940 1
1 396 . 8 1 1 A 43 43 PRO HA H 43 4.440 4.747 -0.307 1
1 403 . 8 1 1 A 43 43 PRO CA C 43 63.206 62.542 0.664 1
1 404 . 8 1 1 A 43 43 PRO CB C 43 32.100 30.441 1.659 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.489 4.993 -0.504 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 3.885 4.194 -0.309 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.012 4.195 -0.183 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.367 45.667 -0.300 1
1 5 . 9 1 1 A 8 8 THR HA H 8 4.329 4.520 -0.191 1
1 10 . 9 1 1 A 8 8 THR CA C 8 62.105 63.336 -1.231 1
1 11 . 9 1 1 A 8 8 THR CB C 8 69.768 71.523 -1.755 1
1 13 . 9 1 1 A 9 9 GLY HA2 H 9 3.880 4.095 -0.215 1
1 14 . 9 1 1 A 9 9 GLY HA3 H 9 3.926 4.095 -0.169 1
1 15 . 9 1 1 A 9 9 GLY CA C 9 45.213 44.495 0.718 1
1 16 . 9 1 1 A 10 10 GLU H H 10 8.181 8.554 -0.373 1
1 17 . 9 1 1 A 10 10 GLU HA H 10 4.130 4.975 -0.845 1
1 22 . 9 1 1 A 10 10 GLU CA C 10 56.831 55.398 1.433 1
1 23 . 9 1 1 A 10 10 GLU CB C 10 30.246 31.532 -1.286 1
1 25 . 9 1 1 A 10 10 GLU N N 10 120.199 120.044 0.155 1
1 26 . 9 1 1 A 11 11 LYS H H 11 8.309 8.540 -0.231 1
1 27 . 9 1 1 A 11 11 LYS HA H 11 4.352 4.855 -0.503 1
1 36 . 9 1 1 A 11 11 LYS C C 11 174.507 176.692 -2.185 1
1 37 . 9 1 1 A 11 11 LYS CA C 11 53.748 54.355 -0.607 1
1 38 . 9 1 1 A 11 11 LYS CB C 11 33.171 32.294 0.877 1
1 42 . 9 1 1 A 11 11 LYS N N 11 121.525 121.018 0.507 1
1 43 . 9 1 1 A 12 12 PRO HA H 12 4.174 4.532 -0.358 1
1 50 . 9 1 1 A 12 12 PRO C C 12 176.557 176.683 -0.126 1
1 51 . 9 1 1 A 12 12 PRO CA C 12 63.551 64.604 -1.053 1
1 52 . 9 1 1 A 12 12 PRO CB C 12 32.242 31.759 0.483 1
1 55 . 9 1 1 A 13 13 TYR H H 13 7.676 8.143 -0.467 1
1 56 . 9 1 1 A 13 13 TYR HA H 13 4.750 4.781 -0.031 1
1 63 . 9 1 1 A 13 13 TYR C C 13 174.491 175.354 -0.863 1
1 64 . 9 1 1 A 13 13 TYR CA C 13 56.955 57.325 -0.370 1
1 65 . 9 1 1 A 13 13 TYR CB C 13 37.991 37.616 0.375 1
1 70 . 9 1 1 A 13 13 TYR N N 13 118.317 117.440 0.877 1
1 71 . 9 1 1 A 14 14 LYS H H 14 8.550 7.457 1.093 1
1 72 . 9 1 1 A 14 14 LYS HA H 14 4.909 4.884 0.025 1
1 81 . 9 1 1 A 14 14 LYS C C 14 175.291 176.231 -0.940 1
1 82 . 9 1 1 A 14 14 LYS CA C 14 55.212 56.706 -1.494 1
1 83 . 9 1 1 A 14 14 LYS CB C 14 35.202 32.775 2.427 1
1 87 . 9 1 1 A 14 14 LYS N N 14 124.883 118.670 6.213 1
1 88 . 9 1 1 A 15 15 CYS H H 15 9.179 8.824 0.355 1
1 89 . 9 1 1 A 15 15 CYS HA H 15 4.479 4.625 -0.146 1
1 92 . 9 1 1 A 15 15 CYS C C 15 177.105 175.764 1.341 1
1 93 . 9 1 1 A 15 15 CYS CA C 15 59.396 58.965 0.431 1
1 94 . 9 1 1 A 15 15 CYS CB C 15 29.557 27.873 1.684 1
1 95 . 9 1 1 A 15 15 CYS N N 15 126.023 121.246 4.777 1
1 96 . 9 1 1 A 16 16 ASN H H 16 9.374 8.946 0.428 1
1 97 . 9 1 1 A 16 16 ASN HA H 16 4.495 4.469 0.026 1
1 102 . 9 1 1 A 16 16 ASN C C 16 175.408 177.303 -1.895 1
1 103 . 9 1 1 A 16 16 ASN CA C 16 55.627 56.147 -0.520 1
1 104 . 9 1 1 A 16 16 ASN CB C 16 38.324 38.061 0.263 1
1 105 . 9 1 1 A 16 16 ASN N N 16 130.192 126.415 3.777 1
1 107 . 9 1 1 A 17 17 GLU H H 17 8.691 8.299 0.392 1
1 108 . 9 1 1 A 17 17 GLU HA H 17 4.198 3.981 0.217 1
1 113 . 9 1 1 A 17 17 GLU C C 17 177.098 178.520 -1.422 1
1 114 . 9 1 1 A 17 17 GLU CA C 17 58.381 58.804 -0.423 1
1 115 . 9 1 1 A 17 17 GLU CB C 17 29.486 28.936 0.550 1
1 117 . 9 1 1 A 17 17 GLU N N 17 120.808 120.259 0.549 1
1 118 . 9 1 1 A 18 18 CYS H H 18 7.886 7.914 -0.028 1
1 119 . 9 1 1 A 18 18 CYS HA H 18 5.146 4.565 0.581 1
1 122 . 9 1 1 A 18 18 CYS C C 18 176.229 175.397 0.832 1
1 123 . 9 1 1 A 18 18 CYS CA C 18 58.295 59.912 -1.617 1
1 124 . 9 1 1 A 18 18 CYS CB C 18 32.487 29.423 3.064 1
1 125 . 9 1 1 A 18 18 CYS N N 18 114.653 115.062 -0.409 1
1 126 . 9 1 1 A 19 19 GLY H H 19 8.142 8.256 -0.114 1
1 127 . 9 1 1 A 19 19 GLY HA2 H 19 3.765 4.023 -0.258 1
1 128 . 9 1 1 A 19 19 GLY HA3 H 19 4.228 4.037 0.191 1
1 129 . 9 1 1 A 19 19 GLY C C 19 173.689 174.327 -0.638 1
1 130 . 9 1 1 A 19 19 GLY CA C 19 46.178 45.527 0.651 1
1 131 . 9 1 1 A 19 19 GLY N N 19 113.359 110.183 3.176 1
1 132 . 9 1 1 A 20 20 LYS H H 20 7.980 7.768 0.212 1
1 133 . 9 1 1 A 20 20 LYS HA H 20 3.915 4.450 -0.535 1
1 142 . 9 1 1 A 20 20 LYS C C 20 173.709 175.211 -1.502 1
1 143 . 9 1 1 A 20 20 LYS CA C 20 58.301 54.613 3.688 1
1 144 . 9 1 1 A 20 20 LYS CB C 20 33.533 33.637 -0.104 1
1 148 . 9 1 1 A 20 20 LYS N N 20 123.220 120.856 2.364 1
1 149 . 9 1 1 A 21 21 ALA H H 21 7.773 8.597 -0.824 1
1 150 . 9 1 1 A 21 21 ALA HA H 21 5.085 4.981 0.104 1
1 154 . 9 1 1 A 21 21 ALA C C 21 176.075 176.233 -0.158 1
1 155 . 9 1 1 A 21 21 ALA CA C 21 50.454 50.703 -0.249 1
1 156 . 9 1 1 A 21 21 ALA CB C 21 22.302 20.410 1.892 1
1 157 . 9 1 1 A 21 21 ALA N N 21 124.199 128.716 -4.517 1
1 158 . 9 1 1 A 22 22 PHE H H 22 8.752 9.154 -0.402 1
1 159 . 9 1 1 A 22 22 PHE HA H 22 4.758 4.955 -0.197 1
1 167 . 9 1 1 A 22 22 PHE C C 22 175.610 176.092 -0.482 1
1 168 . 9 1 1 A 22 22 PHE CA C 22 57.189 56.225 0.964 1
1 169 . 9 1 1 A 22 22 PHE CB C 22 44.496 42.068 2.428 1
1 175 . 9 1 1 A 22 22 PHE N N 22 116.243 121.112 -4.869 1
1 176 . 9 1 1 A 23 23 SER HA H 23 4.703 4.362 0.341 1
1 179 . 9 1 1 A 23 23 SER CA C 23 59.910 61.681 -1.771 1
1 180 . 9 1 1 A 23 23 SER CB C 23 64.442 63.353 1.089 1
1 181 . 9 1 1 A 24 24 GLN H H 24 7.193 7.949 -0.756 1
1 182 . 9 1 1 A 24 24 GLN HA H 24 5.016 4.648 0.368 1
1 189 . 9 1 1 A 24 24 GLN CA C 24 54.212 53.855 0.357 1
1 190 . 9 1 1 A 24 24 GLN CB C 24 33.306 31.079 2.227 1
1 192 . 9 1 1 A 24 24 GLN N N 24 116.538 118.942 -2.404 1
1 194 . 9 1 1 A 25 25 THR HA H 25 3.308 3.666 -0.358 1
1 199 . 9 1 1 A 25 25 THR CA C 25 65.410 66.106 -0.696 1
1 200 . 9 1 1 A 25 25 THR CB C 25 67.602 68.632 -1.030 1
1 202 . 9 1 1 A 26 26 SER HA H 26 4.118 4.228 -0.110 1
1 205 . 9 1 1 A 26 26 SER C C 26 177.127 177.179 -0.052 1
1 206 . 9 1 1 A 26 26 SER CA C 26 60.803 61.727 -0.924 1
1 207 . 9 1 1 A 26 26 SER CB C 26 61.469 62.471 -1.002 1
1 208 . 9 1 1 A 27 27 LYS H H 27 6.629 7.727 -1.098 1
1 209 . 9 1 1 A 27 27 LYS HA H 27 3.994 4.070 -0.076 1
1 218 . 9 1 1 A 27 27 LYS C C 27 178.777 178.862 -0.085 1
1 219 . 9 1 1 A 27 27 LYS CA C 27 58.430 59.466 -1.036 1
1 220 . 9 1 1 A 27 27 LYS CB C 27 32.710 32.496 0.214 1
1 224 . 9 1 1 A 27 27 LYS N N 27 121.916 121.958 -0.042 1
1 225 . 9 1 1 A 28 28 LEU H H 28 7.010 7.859 -0.849 1
1 226 . 9 1 1 A 28 28 LEU HA H 28 3.123 1.641 1.482 1
1 236 . 9 1 1 A 28 28 LEU C C 28 177.314 177.593 -0.279 1
1 237 . 9 1 1 A 28 28 LEU CA C 28 57.755 57.468 0.287 1
1 238 . 9 1 1 A 28 28 LEU CB C 28 40.258 41.237 -0.979 1
1 242 . 9 1 1 A 28 28 LEU N N 28 122.007 121.267 0.740 1
1 243 . 9 1 1 A 29 29 ALA H H 29 8.109 8.082 0.027 1
1 244 . 9 1 1 A 29 29 ALA HA H 29 4.132 4.047 0.085 1
1 248 . 9 1 1 A 29 29 ALA C C 29 180.600 179.273 1.327 1
1 249 . 9 1 1 A 29 29 ALA CA C 29 55.046 55.508 -0.462 1
1 250 . 9 1 1 A 29 29 ALA CB C 29 17.657 18.318 -0.661 1
1 251 . 9 1 1 A 29 29 ALA N N 29 120.851 120.481 0.370 1
1 252 . 9 1 1 A 30 30 ARG H H 30 7.359 8.066 -0.707 1
1 253 . 9 1 1 A 30 30 ARG HA H 30 3.923 3.942 -0.019 1
1 260 . 9 1 1 A 30 30 ARG C C 30 178.903 178.372 0.531 1
1 261 . 9 1 1 A 30 30 ARG CA C 30 58.961 58.421 0.540 1
1 262 . 9 1 1 A 30 30 ARG CB C 30 29.999 29.909 0.090 1
1 265 . 9 1 1 A 30 30 ARG N N 30 116.625 118.604 -1.979 1
1 266 . 9 1 1 A 31 31 HIS H H 31 7.521 7.898 -0.377 1
1 267 . 9 1 1 A 31 31 HIS HA H 31 4.176 4.256 -0.080 1
1 272 . 9 1 1 A 31 31 HIS C C 31 176.189 177.358 -1.169 1
1 273 . 9 1 1 A 31 31 HIS CA C 31 59.062 59.143 -0.081 1
1 274 . 9 1 1 A 31 31 HIS CB C 31 28.455 30.218 -1.763 1
1 277 . 9 1 1 A 31 31 HIS N N 31 119.368 119.304 0.064 1
1 278 . 9 1 1 A 32 32 GLN H H 32 8.334 8.792 -0.458 1
1 279 . 9 1 1 A 32 32 GLN HA H 32 3.658 4.028 -0.370 1
1 286 . 9 1 1 A 32 32 GLN C C 32 177.410 178.356 -0.946 1
1 287 . 9 1 1 A 32 32 GLN CA C 32 59.343 59.084 0.259 1
1 288 . 9 1 1 A 32 32 GLN CB C 32 28.331 28.204 0.127 1
1 290 . 9 1 1 A 32 32 GLN N N 32 115.359 118.182 -2.823 1
1 292 . 9 1 1 A 33 33 ARG H H 33 7.077 7.691 -0.614 1
1 293 . 9 1 1 A 33 33 ARG HA H 33 4.108 4.073 0.035 1
1 300 . 9 1 1 A 33 33 ARG C C 33 178.553 177.486 1.067 1
1 301 . 9 1 1 A 33 33 ARG CA C 33 58.250 58.183 0.067 1
1 302 . 9 1 1 A 33 33 ARG CB C 33 29.969 30.044 -0.075 1
1 305 . 9 1 1 A 33 33 ARG N N 33 117.106 118.428 -1.322 1
1 306 . 9 1 1 A 34 34 ILE H H 34 7.777 7.977 -0.200 1
1 307 . 9 1 1 A 34 34 ILE HA H 34 3.940 4.254 -0.314 1
1 317 . 9 1 1 A 34 34 ILE C C 34 177.451 176.274 1.177 1
1 318 . 9 1 1 A 34 34 ILE CA C 34 63.117 61.767 1.350 1
1 319 . 9 1 1 A 34 34 ILE CB C 34 37.637 37.945 -0.308 1
1 323 . 9 1 1 A 34 34 ILE N N 34 116.459 112.711 3.748 1
1 324 . 9 1 1 A 35 35 HIS H H 35 7.182 8.185 -1.003 1
1 325 . 9 1 1 A 35 35 HIS HA H 35 4.828 4.650 0.178 1
1 330 . 9 1 1 A 35 35 HIS C C 35 175.851 175.576 0.275 1
1 331 . 9 1 1 A 35 35 HIS CA C 35 55.280 55.486 -0.206 1
1 332 . 9 1 1 A 35 35 HIS CB C 35 28.512 29.113 -0.601 1
1 335 . 9 1 1 A 35 35 HIS N N 35 117.602 119.675 -2.073 1
1 336 . 9 1 1 A 36 36 THR H H 36 7.747 7.849 -0.102 1
1 337 . 9 1 1 A 36 36 THR HA H 36 4.331 4.488 -0.157 1
1 342 . 9 1 1 A 36 36 THR C C 36 175.469 174.952 0.517 1
1 343 . 9 1 1 A 36 36 THR CA C 36 62.467 63.169 -0.702 1
1 344 . 9 1 1 A 36 36 THR CB C 36 69.824 71.337 -1.513 1
1 346 . 9 1 1 A 36 36 THR N N 36 111.513 114.087 -2.574 1
1 347 . 9 1 1 A 37 37 GLY H H 37 8.182 8.433 -0.251 1
1 348 . 9 1 1 A 37 37 GLY HA2 H 37 4.013 4.002 0.011 1
1 349 . 9 1 1 A 37 37 GLY HA3 H 37 3.918 4.009 -0.091 1
1 350 . 9 1 1 A 37 37 GLY C C 37 174.052 173.990 0.062 1
1 351 . 9 1 1 A 37 37 GLY CA C 37 45.367 45.963 -0.596 1
1 352 . 9 1 1 A 37 37 GLY N N 37 110.535 108.901 1.634 1
1 353 . 9 1 1 A 38 38 GLU H H 38 8.052 7.918 0.134 1
1 354 . 9 1 1 A 38 38 GLU HA H 38 4.218 4.831 -0.613 1
1 359 . 9 1 1 A 38 38 GLU CA C 38 56.434 54.518 1.916 1
1 360 . 9 1 1 A 38 38 GLU CB C 38 30.328 32.745 -2.417 1
1 362 . 9 1 1 A 38 38 GLU N N 38 120.571 118.976 1.595 1
1 363 . 9 1 1 A 39 39 LYS H H 39 8.389 8.415 -0.026 1
1 364 . 9 1 1 A 39 39 LYS HA H 39 4.578 4.592 -0.014 1
1 373 . 9 1 1 A 39 39 LYS C C 39 173.753 174.479 -0.726 1
1 374 . 9 1 1 A 39 39 LYS CA C 39 54.091 54.543 -0.452 1
1 375 . 9 1 1 A 39 39 LYS CB C 39 32.446 31.519 0.927 1
1 379 . 9 1 1 A 39 39 LYS N N 39 123.889 121.080 2.809 1
1 380 . 9 1 1 A 40 40 PRO HA H 40 4.438 4.594 -0.156 1
1 387 . 9 1 1 A 40 40 PRO CA C 40 63.206 62.746 0.460 1
1 388 . 9 1 1 A 40 40 PRO CB C 40 32.136 32.459 -0.323 1
1 391 . 9 1 1 A 41 41 SER H H 41 8.460 8.701 -0.241 1
1 392 . 9 1 1 A 41 41 SER N N 41 116.511 116.209 0.302 1
1 393 . 9 1 1 A 42 42 GLY HA2 H 42 4.109 4.070 0.039 1
1 394 . 9 1 1 A 42 42 GLY HA3 H 42 4.109 4.071 0.038 1
1 395 . 9 1 1 A 42 42 GLY CA C 42 44.689 45.605 -0.916 1
1 396 . 9 1 1 A 43 43 PRO HA H 43 4.440 4.737 -0.297 1
1 403 . 9 1 1 A 43 43 PRO CA C 43 63.206 62.780 0.426 1
1 404 . 9 1 1 A 43 43 PRO CB C 43 32.100 31.540 0.560 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.489 4.227 0.262 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 3.885 4.077 -0.192 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.012 4.081 -0.069 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.367 45.372 -0.005 1
1 5 . 10 1 1 A 8 8 THR HA H 8 4.329 4.772 -0.443 1
1 10 . 10 1 1 A 8 8 THR CA C 8 62.105 60.002 2.103 1
1 11 . 10 1 1 A 8 8 THR CB C 8 69.768 71.034 -1.266 1
1 13 . 10 1 1 A 9 9 GLY HA2 H 9 3.880 4.241 -0.361 1
1 14 . 10 1 1 A 9 9 GLY HA3 H 9 3.926 4.242 -0.316 1
1 15 . 10 1 1 A 9 9 GLY CA C 9 45.213 43.953 1.260 1
1 16 . 10 1 1 A 10 10 GLU H H 10 8.181 8.487 -0.306 1
1 17 . 10 1 1 A 10 10 GLU HA H 10 4.130 4.439 -0.309 1
1 22 . 10 1 1 A 10 10 GLU CA C 10 56.831 56.631 0.200 1
1 23 . 10 1 1 A 10 10 GLU CB C 10 30.246 30.183 0.063 1
1 25 . 10 1 1 A 10 10 GLU N N 10 120.199 120.441 -0.242 1
1 26 . 10 1 1 A 11 11 LYS H H 11 8.309 8.553 -0.244 1
1 27 . 10 1 1 A 11 11 LYS HA H 11 4.352 5.078 -0.726 1
1 36 . 10 1 1 A 11 11 LYS C C 11 174.507 176.705 -2.198 1
1 37 . 10 1 1 A 11 11 LYS CA C 11 53.748 54.268 -0.520 1
1 38 . 10 1 1 A 11 11 LYS CB C 11 33.171 32.309 0.862 1
1 42 . 10 1 1 A 11 11 LYS N N 11 121.525 121.183 0.342 1
1 43 . 10 1 1 A 12 12 PRO HA H 12 4.174 4.559 -0.385 1
1 50 . 10 1 1 A 12 12 PRO C C 12 176.557 176.110 0.447 1
1 51 . 10 1 1 A 12 12 PRO CA C 12 63.551 64.679 -1.128 1
1 52 . 10 1 1 A 12 12 PRO CB C 12 32.242 31.734 0.508 1
1 55 . 10 1 1 A 13 13 TYR H H 13 7.676 8.190 -0.514 1
1 56 . 10 1 1 A 13 13 TYR HA H 13 4.750 4.747 0.003 1
1 63 . 10 1 1 A 13 13 TYR C C 13 174.491 174.896 -0.405 1
1 64 . 10 1 1 A 13 13 TYR CA C 13 56.955 57.117 -0.162 1
1 65 . 10 1 1 A 13 13 TYR CB C 13 37.991 36.853 1.138 1
1 70 . 10 1 1 A 13 13 TYR N N 13 118.317 118.497 -0.180 1
1 71 . 10 1 1 A 14 14 LYS H H 14 8.550 7.832 0.718 1
1 72 . 10 1 1 A 14 14 LYS HA H 14 4.909 5.670 -0.761 1
1 81 . 10 1 1 A 14 14 LYS C C 14 175.291 175.624 -0.333 1
1 82 . 10 1 1 A 14 14 LYS CA C 14 55.212 55.097 0.115 1
1 83 . 10 1 1 A 14 14 LYS CB C 14 35.202 34.905 0.297 1
1 87 . 10 1 1 A 14 14 LYS N N 14 124.883 121.381 3.502 1
1 88 . 10 1 1 A 15 15 CYS H H 15 9.179 9.244 -0.065 1
1 89 . 10 1 1 A 15 15 CYS HA H 15 4.479 4.573 -0.094 1
1 92 . 10 1 1 A 15 15 CYS C C 15 177.105 176.465 0.640 1
1 93 . 10 1 1 A 15 15 CYS CA C 15 59.396 60.027 -0.631 1
1 94 . 10 1 1 A 15 15 CYS CB C 15 29.557 28.988 0.569 1
1 95 . 10 1 1 A 15 15 CYS N N 15 126.023 121.192 4.831 1
1 96 . 10 1 1 A 16 16 ASN H H 16 9.374 9.405 -0.031 1
1 97 . 10 1 1 A 16 16 ASN HA H 16 4.495 4.713 -0.218 1
1 102 . 10 1 1 A 16 16 ASN C C 16 175.408 176.587 -1.179 1
1 103 . 10 1 1 A 16 16 ASN CA C 16 55.627 54.640 0.987 1
1 104 . 10 1 1 A 16 16 ASN CB C 16 38.324 38.541 -0.217 1
1 105 . 10 1 1 A 16 16 ASN N N 16 130.192 127.856 2.336 1
1 107 . 10 1 1 A 17 17 GLU H H 17 8.691 7.967 0.724 1
1 108 . 10 1 1 A 17 17 GLU HA H 17 4.198 4.160 0.038 1
1 113 . 10 1 1 A 17 17 GLU C C 17 177.098 178.332 -1.234 1
1 114 . 10 1 1 A 17 17 GLU CA C 17 58.381 58.620 -0.239 1
1 115 . 10 1 1 A 17 17 GLU CB C 17 29.486 29.825 -0.339 1
1 117 . 10 1 1 A 17 17 GLU N N 17 120.808 118.139 2.669 1
1 118 . 10 1 1 A 18 18 CYS H H 18 7.886 7.924 -0.038 1
1 119 . 10 1 1 A 18 18 CYS HA H 18 5.146 4.558 0.588 1
1 122 . 10 1 1 A 18 18 CYS C C 18 176.229 175.315 0.914 1
1 123 . 10 1 1 A 18 18 CYS CA C 18 58.295 59.932 -1.637 1
1 124 . 10 1 1 A 18 18 CYS CB C 18 32.487 29.357 3.130 1
1 125 . 10 1 1 A 18 18 CYS N N 18 114.653 114.810 -0.157 1
1 126 . 10 1 1 A 19 19 GLY H H 19 8.142 8.197 -0.055 1
1 127 . 10 1 1 A 19 19 GLY HA2 H 19 3.765 4.060 -0.295 1
1 128 . 10 1 1 A 19 19 GLY HA3 H 19 4.228 4.078 0.150 1
1 129 . 10 1 1 A 19 19 GLY C C 19 173.689 174.374 -0.685 1
1 130 . 10 1 1 A 19 19 GLY CA C 19 46.178 45.429 0.749 1
1 131 . 10 1 1 A 19 19 GLY N N 19 113.359 109.876 3.483 1
1 132 . 10 1 1 A 20 20 LYS H H 20 7.980 7.858 0.122 1
1 133 . 10 1 1 A 20 20 LYS HA H 20 3.915 4.443 -0.528 1
1 142 . 10 1 1 A 20 20 LYS C C 20 173.709 175.549 -1.840 1
1 143 . 10 1 1 A 20 20 LYS CA C 20 58.301 54.968 3.333 1
1 144 . 10 1 1 A 20 20 LYS CB C 20 33.533 33.521 0.012 1
1 148 . 10 1 1 A 20 20 LYS N N 20 123.220 121.424 1.796 1
1 149 . 10 1 1 A 21 21 ALA H H 21 7.773 8.540 -0.767 1
1 150 . 10 1 1 A 21 21 ALA HA H 21 5.085 4.899 0.186 1
1 154 . 10 1 1 A 21 21 ALA C C 21 176.075 176.776 -0.701 1
1 155 . 10 1 1 A 21 21 ALA CA C 21 50.454 50.532 -0.078 1
1 156 . 10 1 1 A 21 21 ALA CB C 21 22.302 20.186 2.116 1
1 157 . 10 1 1 A 21 21 ALA N N 21 124.199 129.058 -4.859 1
1 158 . 10 1 1 A 22 22 PHE H H 22 8.752 8.823 -0.071 1
1 159 . 10 1 1 A 22 22 PHE HA H 22 4.758 4.931 -0.173 1
1 167 . 10 1 1 A 22 22 PHE C C 22 175.610 176.134 -0.524 1
1 168 . 10 1 1 A 22 22 PHE CA C 22 57.189 56.939 0.250 1
1 169 . 10 1 1 A 22 22 PHE CB C 22 44.496 42.001 2.495 1
1 175 . 10 1 1 A 22 22 PHE N N 22 116.243 121.987 -5.744 1
1 176 . 10 1 1 A 23 23 SER HA H 23 4.703 4.571 0.132 1
1 179 . 10 1 1 A 23 23 SER CA C 23 59.910 59.864 0.046 1
1 180 . 10 1 1 A 23 23 SER CB C 23 64.442 64.756 -0.314 1
1 181 . 10 1 1 A 24 24 GLN H H 24 7.193 7.844 -0.651 1
1 182 . 10 1 1 A 24 24 GLN HA H 24 5.016 4.590 0.426 1
1 189 . 10 1 1 A 24 24 GLN CA C 24 54.212 54.243 -0.031 1
1 190 . 10 1 1 A 24 24 GLN CB C 24 33.306 31.868 1.438 1
1 192 . 10 1 1 A 24 24 GLN N N 24 116.538 117.234 -0.696 1
1 194 . 10 1 1 A 25 25 THR HA H 25 3.308 3.685 -0.377 1
1 199 . 10 1 1 A 25 25 THR CA C 25 65.410 66.154 -0.744 1
1 200 . 10 1 1 A 25 25 THR CB C 25 67.602 68.688 -1.086 1
1 202 . 10 1 1 A 26 26 SER HA H 26 4.118 3.963 0.155 1
1 205 . 10 1 1 A 26 26 SER C C 26 177.127 177.326 -0.199 1
1 206 . 10 1 1 A 26 26 SER CA C 26 60.803 61.614 -0.811 1
1 207 . 10 1 1 A 26 26 SER CB C 26 61.469 62.897 -1.428 1
1 208 . 10 1 1 A 27 27 LYS H H 27 6.629 7.692 -1.063 1
1 209 . 10 1 1 A 27 27 LYS HA H 27 3.994 4.012 -0.018 1
1 218 . 10 1 1 A 27 27 LYS C C 27 178.777 178.669 0.108 1
1 219 . 10 1 1 A 27 27 LYS CA C 27 58.430 59.468 -1.038 1
1 220 . 10 1 1 A 27 27 LYS CB C 27 32.710 32.727 -0.017 1
1 224 . 10 1 1 A 27 27 LYS N N 27 121.916 121.441 0.475 1
1 225 . 10 1 1 A 28 28 LEU H H 28 7.010 7.604 -0.594 1
1 226 . 10 1 1 A 28 28 LEU HA H 28 3.123 1.566 1.557 1
1 236 . 10 1 1 A 28 28 LEU C C 28 177.314 177.584 -0.270 1
1 237 . 10 1 1 A 28 28 LEU CA C 28 57.755 57.367 0.388 1
1 238 . 10 1 1 A 28 28 LEU CB C 28 40.258 41.145 -0.887 1
1 242 . 10 1 1 A 28 28 LEU N N 28 122.007 121.342 0.665 1
1 243 . 10 1 1 A 29 29 ALA H H 29 8.109 8.105 0.004 1
1 244 . 10 1 1 A 29 29 ALA HA H 29 4.132 4.051 0.081 1
1 248 . 10 1 1 A 29 29 ALA C C 29 180.600 179.302 1.298 1
1 249 . 10 1 1 A 29 29 ALA CA C 29 55.046 55.498 -0.452 1
1 250 . 10 1 1 A 29 29 ALA CB C 29 17.657 18.364 -0.707 1
1 251 . 10 1 1 A 29 29 ALA N N 29 120.851 120.456 0.395 1
1 252 . 10 1 1 A 30 30 ARG H H 30 7.359 8.193 -0.834 1
1 253 . 10 1 1 A 30 30 ARG HA H 30 3.923 3.967 -0.044 1
1 260 . 10 1 1 A 30 30 ARG C C 30 178.903 178.494 0.409 1
1 261 . 10 1 1 A 30 30 ARG CA C 30 58.961 58.454 0.507 1
1 262 . 10 1 1 A 30 30 ARG CB C 30 29.999 29.984 0.015 1
1 265 . 10 1 1 A 30 30 ARG N N 30 116.625 118.613 -1.988 1
1 266 . 10 1 1 A 31 31 HIS H H 31 7.521 8.003 -0.482 1
1 267 . 10 1 1 A 31 31 HIS HA H 31 4.176 4.257 -0.081 1
1 272 . 10 1 1 A 31 31 HIS C C 31 176.189 177.297 -1.108 1
1 273 . 10 1 1 A 31 31 HIS CA C 31 59.062 59.304 -0.242 1
1 274 . 10 1 1 A 31 31 HIS CB C 31 28.455 30.336 -1.881 1
1 277 . 10 1 1 A 31 31 HIS N N 31 119.368 119.332 0.036 1
1 278 . 10 1 1 A 32 32 GLN H H 32 8.334 8.743 -0.409 1
1 279 . 10 1 1 A 32 32 GLN HA H 32 3.658 3.932 -0.274 1
1 286 . 10 1 1 A 32 32 GLN C C 32 177.410 178.263 -0.853 1
1 287 . 10 1 1 A 32 32 GLN CA C 32 59.343 59.039 0.304 1
1 288 . 10 1 1 A 32 32 GLN CB C 32 28.331 28.140 0.191 1
1 290 . 10 1 1 A 32 32 GLN N N 32 115.359 118.257 -2.898 1
1 292 . 10 1 1 A 33 33 ARG H H 33 7.077 7.697 -0.620 1
1 293 . 10 1 1 A 33 33 ARG HA H 33 4.108 4.050 0.058 1
1 300 . 10 1 1 A 33 33 ARG C C 33 178.553 177.867 0.686 1
1 301 . 10 1 1 A 33 33 ARG CA C 33 58.250 58.296 -0.046 1
1 302 . 10 1 1 A 33 33 ARG CB C 33 29.969 30.126 -0.157 1
1 305 . 10 1 1 A 33 33 ARG N N 33 117.106 118.918 -1.812 1
1 306 . 10 1 1 A 34 34 ILE H H 34 7.777 7.927 -0.150 1
1 307 . 10 1 1 A 34 34 ILE HA H 34 3.940 4.013 -0.073 1
1 317 . 10 1 1 A 34 34 ILE C C 34 177.451 176.670 0.781 1
1 318 . 10 1 1 A 34 34 ILE CA C 34 63.117 62.602 0.515 1
1 319 . 10 1 1 A 34 34 ILE CB C 34 37.637 37.587 0.050 1
1 323 . 10 1 1 A 34 34 ILE N N 34 116.459 114.262 2.197 1
1 324 . 10 1 1 A 35 35 HIS H H 35 7.182 8.041 -0.859 1
1 325 . 10 1 1 A 35 35 HIS HA H 35 4.828 4.455 0.373 1
1 330 . 10 1 1 A 35 35 HIS C C 35 175.851 175.874 -0.023 1
1 331 . 10 1 1 A 35 35 HIS CA C 35 55.280 57.888 -2.608 1
1 332 . 10 1 1 A 35 35 HIS CB C 35 28.512 30.473 -1.961 1
1 335 . 10 1 1 A 35 35 HIS N N 35 117.602 119.673 -2.071 1
1 336 . 10 1 1 A 36 36 THR H H 36 7.747 7.877 -0.130 1
1 337 . 10 1 1 A 36 36 THR HA H 36 4.331 4.377 -0.046 1
1 342 . 10 1 1 A 36 36 THR C C 36 175.469 175.034 0.435 1
1 343 . 10 1 1 A 36 36 THR CA C 36 62.467 62.879 -0.412 1
1 344 . 10 1 1 A 36 36 THR CB C 36 69.824 70.339 -0.515 1
1 346 . 10 1 1 A 36 36 THR N N 36 111.513 111.110 0.403 1
1 347 . 10 1 1 A 37 37 GLY H H 37 8.182 7.944 0.238 1
1 348 . 10 1 1 A 37 37 GLY HA2 H 37 4.013 3.929 0.084 1
1 349 . 10 1 1 A 37 37 GLY HA3 H 37 3.918 3.940 -0.022 1
1 350 . 10 1 1 A 37 37 GLY C C 37 174.052 174.761 -0.709 1
1 351 . 10 1 1 A 37 37 GLY CA C 37 45.367 46.272 -0.905 1
1 352 . 10 1 1 A 37 37 GLY N N 37 110.535 110.621 -0.086 1
1 353 . 10 1 1 A 38 38 GLU H H 38 8.052 7.384 0.668 1
1 354 . 10 1 1 A 38 38 GLU HA H 38 4.218 4.470 -0.252 1
1 359 . 10 1 1 A 38 38 GLU CA C 38 56.434 55.640 0.794 1
1 360 . 10 1 1 A 38 38 GLU CB C 38 30.328 29.067 1.261 1
1 362 . 10 1 1 A 38 38 GLU N N 38 120.571 121.009 -0.438 1
1 363 . 10 1 1 A 39 39 LYS H H 39 8.389 7.595 0.794 1
1 364 . 10 1 1 A 39 39 LYS HA H 39 4.578 4.772 -0.194 1
1 373 . 10 1 1 A 39 39 LYS C C 39 173.753 176.209 -2.456 1
1 374 . 10 1 1 A 39 39 LYS CA C 39 54.091 53.134 0.957 1
1 375 . 10 1 1 A 39 39 LYS CB C 39 32.446 34.659 -2.213 1
1 379 . 10 1 1 A 39 39 LYS N N 39 123.889 124.643 -0.754 1
1 380 . 10 1 1 A 40 40 PRO HA H 40 4.438 4.366 0.072 1
1 387 . 10 1 1 A 40 40 PRO CA C 40 63.206 65.066 -1.860 1
1 388 . 10 1 1 A 40 40 PRO CB C 40 32.136 32.204 -0.068 1
1 391 . 10 1 1 A 41 41 SER H H 41 8.460 8.468 -0.008 1
1 392 . 10 1 1 A 41 41 SER N N 41 116.511 112.429 4.082 1
1 393 . 10 1 1 A 42 42 GLY HA2 H 42 4.109 4.057 0.052 1
1 394 . 10 1 1 A 42 42 GLY HA3 H 42 4.109 4.059 0.050 1
1 395 . 10 1 1 A 42 42 GLY CA C 42 44.689 46.014 -1.325 1
1 396 . 10 1 1 A 43 43 PRO HA H 43 4.440 4.515 -0.075 1
1 403 . 10 1 1 A 43 43 PRO CA C 43 63.206 63.726 -0.520 1
1 404 . 10 1 1 A 43 43 PRO CB C 43 32.100 31.746 0.354 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.489 4.957 -0.468 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 3.885 4.330 -0.445 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.012 4.330 -0.318 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.367 44.129 1.238 1
1 5 . 11 1 1 A 8 8 THR HA H 8 4.329 5.023 -0.694 1
1 10 . 11 1 1 A 8 8 THR CA C 8 62.105 60.188 1.917 1
1 11 . 11 1 1 A 8 8 THR CB C 8 69.768 71.873 -2.105 1
1 13 . 11 1 1 A 9 9 GLY HA2 H 9 3.880 4.192 -0.312 1
1 14 . 11 1 1 A 9 9 GLY HA3 H 9 3.926 4.192 -0.266 1
1 15 . 11 1 1 A 9 9 GLY CA C 9 45.213 44.685 0.528 1
1 16 . 11 1 1 A 10 10 GLU H H 10 8.181 8.642 -0.461 1
1 17 . 11 1 1 A 10 10 GLU HA H 10 4.130 4.220 -0.090 1
1 22 . 11 1 1 A 10 10 GLU CA C 10 56.831 57.233 -0.402 1
1 23 . 11 1 1 A 10 10 GLU CB C 10 30.246 29.896 0.350 1
1 25 . 11 1 1 A 10 10 GLU N N 10 120.199 121.880 -1.681 1
1 26 . 11 1 1 A 11 11 LYS H H 11 8.309 8.543 -0.234 1
1 27 . 11 1 1 A 11 11 LYS HA H 11 4.352 4.825 -0.473 1
1 36 . 11 1 1 A 11 11 LYS C C 11 174.507 176.850 -2.343 1
1 37 . 11 1 1 A 11 11 LYS CA C 11 53.748 54.624 -0.876 1
1 38 . 11 1 1 A 11 11 LYS CB C 11 33.171 32.232 0.939 1
1 42 . 11 1 1 A 11 11 LYS N N 11 121.525 121.572 -0.047 1
1 43 . 11 1 1 A 12 12 PRO HA H 12 4.174 4.594 -0.420 1
1 50 . 11 1 1 A 12 12 PRO C C 12 176.557 176.065 0.492 1
1 51 . 11 1 1 A 12 12 PRO CA C 12 63.551 64.507 -0.956 1
1 52 . 11 1 1 A 12 12 PRO CB C 12 32.242 31.750 0.492 1
1 55 . 11 1 1 A 13 13 TYR H H 13 7.676 8.195 -0.519 1
1 56 . 11 1 1 A 13 13 TYR HA H 13 4.750 4.699 0.051 1
1 63 . 11 1 1 A 13 13 TYR C C 13 174.491 174.793 -0.302 1
1 64 . 11 1 1 A 13 13 TYR CA C 13 56.955 56.869 0.086 1
1 65 . 11 1 1 A 13 13 TYR CB C 13 37.991 36.552 1.439 1
1 70 . 11 1 1 A 13 13 TYR N N 13 118.317 118.485 -0.168 1
1 71 . 11 1 1 A 14 14 LYS H H 14 8.550 7.831 0.719 1
1 72 . 11 1 1 A 14 14 LYS HA H 14 4.909 5.246 -0.337 1
1 81 . 11 1 1 A 14 14 LYS C C 14 175.291 175.364 -0.073 1
1 82 . 11 1 1 A 14 14 LYS CA C 14 55.212 54.708 0.504 1
1 83 . 11 1 1 A 14 14 LYS CB C 14 35.202 34.002 1.200 1
1 87 . 11 1 1 A 14 14 LYS N N 14 124.883 121.952 2.931 1
1 88 . 11 1 1 A 15 15 CYS H H 15 9.179 8.790 0.389 1
1 89 . 11 1 1 A 15 15 CYS HA H 15 4.479 4.718 -0.239 1
1 92 . 11 1 1 A 15 15 CYS C C 15 177.105 175.328 1.777 1
1 93 . 11 1 1 A 15 15 CYS CA C 15 59.396 57.781 1.615 1
1 94 . 11 1 1 A 15 15 CYS CB C 15 29.557 26.751 2.806 1
1 95 . 11 1 1 A 15 15 CYS N N 15 126.023 120.819 5.204 1
1 96 . 11 1 1 A 16 16 ASN H H 16 9.374 8.244 1.130 1
1 97 . 11 1 1 A 16 16 ASN HA H 16 4.495 4.414 0.081 1
1 102 . 11 1 1 A 16 16 ASN C C 16 175.408 177.284 -1.876 1
1 103 . 11 1 1 A 16 16 ASN CA C 16 55.627 56.599 -0.972 1
1 104 . 11 1 1 A 16 16 ASN CB C 16 38.324 37.864 0.460 1
1 105 . 11 1 1 A 16 16 ASN N N 16 130.192 124.768 5.424 1
1 107 . 11 1 1 A 17 17 GLU H H 17 8.691 8.481 0.210 1
1 108 . 11 1 1 A 17 17 GLU HA H 17 4.198 3.947 0.251 1
1 113 . 11 1 1 A 17 17 GLU C C 17 177.098 178.189 -1.091 1
1 114 . 11 1 1 A 17 17 GLU CA C 17 58.381 59.132 -0.751 1
1 115 . 11 1 1 A 17 17 GLU CB C 17 29.486 28.777 0.709 1
1 117 . 11 1 1 A 17 17 GLU N N 17 120.808 119.191 1.617 1
1 118 . 11 1 1 A 18 18 CYS H H 18 7.886 8.467 -0.581 1
1 119 . 11 1 1 A 18 18 CYS HA H 18 5.146 4.711 0.435 1
1 122 . 11 1 1 A 18 18 CYS C C 18 176.229 175.557 0.672 1
1 123 . 11 1 1 A 18 18 CYS CA C 18 58.295 59.573 -1.278 1
1 124 . 11 1 1 A 18 18 CYS CB C 18 32.487 30.107 2.380 1
1 125 . 11 1 1 A 18 18 CYS N N 18 114.653 114.739 -0.086 1
1 126 . 11 1 1 A 19 19 GLY H H 19 8.142 8.790 -0.648 1
1 127 . 11 1 1 A 19 19 GLY HA2 H 19 3.765 4.000 -0.235 1
1 128 . 11 1 1 A 19 19 GLY HA3 H 19 4.228 4.008 0.220 1
1 129 . 11 1 1 A 19 19 GLY C C 19 173.689 174.280 -0.591 1
1 130 . 11 1 1 A 19 19 GLY CA C 19 46.178 45.704 0.474 1
1 131 . 11 1 1 A 19 19 GLY N N 19 113.359 110.123 3.236 1
1 132 . 11 1 1 A 20 20 LYS H H 20 7.980 7.704 0.276 1
1 133 . 11 1 1 A 20 20 LYS HA H 20 3.915 4.504 -0.589 1
1 142 . 11 1 1 A 20 20 LYS C C 20 173.709 174.994 -1.285 1
1 143 . 11 1 1 A 20 20 LYS CA C 20 58.301 54.589 3.712 1
1 144 . 11 1 1 A 20 20 LYS CB C 20 33.533 34.445 -0.912 1
1 148 . 11 1 1 A 20 20 LYS N N 20 123.220 120.655 2.565 1
1 149 . 11 1 1 A 21 21 ALA H H 21 7.773 8.823 -1.050 1
1 150 . 11 1 1 A 21 21 ALA HA H 21 5.085 5.255 -0.170 1
1 154 . 11 1 1 A 21 21 ALA C C 21 176.075 176.532 -0.457 1
1 155 . 11 1 1 A 21 21 ALA CA C 21 50.454 50.304 0.150 1
1 156 . 11 1 1 A 21 21 ALA CB C 21 22.302 20.854 1.448 1
1 157 . 11 1 1 A 21 21 ALA N N 21 124.199 128.867 -4.668 1
1 158 . 11 1 1 A 22 22 PHE H H 22 8.752 8.879 -0.127 1
1 159 . 11 1 1 A 22 22 PHE HA H 22 4.758 4.885 -0.127 1
1 167 . 11 1 1 A 22 22 PHE C C 22 175.610 176.215 -0.605 1
1 168 . 11 1 1 A 22 22 PHE CA C 22 57.189 56.592 0.597 1
1 169 . 11 1 1 A 22 22 PHE CB C 22 44.496 42.553 1.943 1
1 175 . 11 1 1 A 22 22 PHE N N 22 116.243 119.316 -3.073 1
1 176 . 11 1 1 A 23 23 SER HA H 23 4.703 4.324 0.379 1
1 179 . 11 1 1 A 23 23 SER CA C 23 59.910 61.658 -1.748 1
1 180 . 11 1 1 A 23 23 SER CB C 23 64.442 63.461 0.981 1
1 181 . 11 1 1 A 24 24 GLN H H 24 7.193 7.614 -0.421 1
1 182 . 11 1 1 A 24 24 GLN HA H 24 5.016 4.650 0.366 1
1 189 . 11 1 1 A 24 24 GLN CA C 24 54.212 54.576 -0.364 1
1 190 . 11 1 1 A 24 24 GLN CB C 24 33.306 30.625 2.681 1
1 192 . 11 1 1 A 24 24 GLN N N 24 116.538 116.228 0.310 1
1 194 . 11 1 1 A 25 25 THR HA H 25 3.308 3.793 -0.485 1
1 199 . 11 1 1 A 25 25 THR CA C 25 65.410 66.218 -0.808 1
1 200 . 11 1 1 A 25 25 THR CB C 25 67.602 68.854 -1.252 1
1 202 . 11 1 1 A 26 26 SER HA H 26 4.118 4.030 0.088 1
1 205 . 11 1 1 A 26 26 SER C C 26 177.127 177.236 -0.109 1
1 206 . 11 1 1 A 26 26 SER CA C 26 60.803 61.626 -0.823 1
1 207 . 11 1 1 A 26 26 SER CB C 26 61.469 63.022 -1.553 1
1 208 . 11 1 1 A 27 27 LYS H H 27 6.629 8.043 -1.414 1
1 209 . 11 1 1 A 27 27 LYS HA H 27 3.994 4.032 -0.038 1
1 218 . 11 1 1 A 27 27 LYS C C 27 178.777 178.838 -0.061 1
1 219 . 11 1 1 A 27 27 LYS CA C 27 58.430 59.359 -0.929 1
1 220 . 11 1 1 A 27 27 LYS CB C 27 32.710 32.869 -0.159 1
1 224 . 11 1 1 A 27 27 LYS N N 27 121.916 120.981 0.935 1
1 225 . 11 1 1 A 28 28 LEU H H 28 7.010 7.719 -0.709 1
1 226 . 11 1 1 A 28 28 LEU HA H 28 3.123 1.429 1.694 1
1 236 . 11 1 1 A 28 28 LEU C C 28 177.314 177.558 -0.244 1
1 237 . 11 1 1 A 28 28 LEU CA C 28 57.755 57.257 0.498 1
1 238 . 11 1 1 A 28 28 LEU CB C 28 40.258 41.369 -1.111 1
1 242 . 11 1 1 A 28 28 LEU N N 28 122.007 121.069 0.938 1
1 243 . 11 1 1 A 29 29 ALA H H 29 8.109 8.445 -0.336 1
1 244 . 11 1 1 A 29 29 ALA HA H 29 4.132 4.000 0.132 1
1 248 . 11 1 1 A 29 29 ALA C C 29 180.600 179.280 1.320 1
1 249 . 11 1 1 A 29 29 ALA CA C 29 55.046 55.448 -0.402 1
1 250 . 11 1 1 A 29 29 ALA CB C 29 17.657 18.499 -0.842 1
1 251 . 11 1 1 A 29 29 ALA N N 29 120.851 120.276 0.575 1
1 252 . 11 1 1 A 30 30 ARG H H 30 7.359 8.138 -0.779 1
1 253 . 11 1 1 A 30 30 ARG HA H 30 3.923 4.075 -0.152 1
1 260 . 11 1 1 A 30 30 ARG C C 30 178.903 178.514 0.389 1
1 261 . 11 1 1 A 30 30 ARG CA C 30 58.961 58.647 0.314 1
1 262 . 11 1 1 A 30 30 ARG CB C 30 29.999 29.989 0.010 1
1 265 . 11 1 1 A 30 30 ARG N N 30 116.625 118.602 -1.977 1
1 266 . 11 1 1 A 31 31 HIS H H 31 7.521 8.104 -0.583 1
1 267 . 11 1 1 A 31 31 HIS HA H 31 4.176 4.267 -0.091 1
1 272 . 11 1 1 A 31 31 HIS C C 31 176.189 177.375 -1.186 1
1 273 . 11 1 1 A 31 31 HIS CA C 31 59.062 59.149 -0.087 1
1 274 . 11 1 1 A 31 31 HIS CB C 31 28.455 30.161 -1.706 1
1 277 . 11 1 1 A 31 31 HIS N N 31 119.368 119.273 0.095 1
1 278 . 11 1 1 A 32 32 GLN H H 32 8.334 8.683 -0.349 1
1 279 . 11 1 1 A 32 32 GLN HA H 32 3.658 4.153 -0.495 1
1 286 . 11 1 1 A 32 32 GLN C C 32 177.410 178.367 -0.957 1
1 287 . 11 1 1 A 32 32 GLN CA C 32 59.343 59.144 0.199 1
1 288 . 11 1 1 A 32 32 GLN CB C 32 28.331 28.275 0.056 1
1 290 . 11 1 1 A 32 32 GLN N N 32 115.359 118.154 -2.795 1
1 292 . 11 1 1 A 33 33 ARG H H 33 7.077 7.732 -0.655 1
1 293 . 11 1 1 A 33 33 ARG HA H 33 4.108 4.093 0.015 1
1 300 . 11 1 1 A 33 33 ARG C C 33 178.553 177.717 0.836 1
1 301 . 11 1 1 A 33 33 ARG CA C 33 58.250 58.209 0.041 1
1 302 . 11 1 1 A 33 33 ARG CB C 33 29.969 30.030 -0.061 1
1 305 . 11 1 1 A 33 33 ARG N N 33 117.106 118.496 -1.390 1
1 306 . 11 1 1 A 34 34 ILE H H 34 7.777 7.981 -0.204 1
1 307 . 11 1 1 A 34 34 ILE HA H 34 3.940 4.097 -0.157 1
1 317 . 11 1 1 A 34 34 ILE C C 34 177.451 176.639 0.812 1
1 318 . 11 1 1 A 34 34 ILE CA C 34 63.117 61.983 1.134 1
1 319 . 11 1 1 A 34 34 ILE CB C 34 37.637 37.767 -0.130 1
1 323 . 11 1 1 A 34 34 ILE N N 34 116.459 114.081 2.378 1
1 324 . 11 1 1 A 35 35 HIS H H 35 7.182 8.224 -1.042 1
1 325 . 11 1 1 A 35 35 HIS HA H 35 4.828 4.567 0.261 1
1 330 . 11 1 1 A 35 35 HIS C C 35 175.851 175.829 0.022 1
1 331 . 11 1 1 A 35 35 HIS CA C 35 55.280 56.009 -0.729 1
1 332 . 11 1 1 A 35 35 HIS CB C 35 28.512 29.445 -0.933 1
1 335 . 11 1 1 A 35 35 HIS N N 35 117.602 119.730 -2.128 1
1 336 . 11 1 1 A 36 36 THR H H 36 7.747 7.881 -0.134 1
1 337 . 11 1 1 A 36 36 THR HA H 36 4.331 4.263 0.068 1
1 342 . 11 1 1 A 36 36 THR C C 36 175.469 174.722 0.747 1
1 343 . 11 1 1 A 36 36 THR CA C 36 62.467 63.582 -1.115 1
1 344 . 11 1 1 A 36 36 THR CB C 36 69.824 70.320 -0.496 1
1 346 . 11 1 1 A 36 36 THR N N 36 111.513 114.394 -2.881 1
1 347 . 11 1 1 A 37 37 GLY H H 37 8.182 7.794 0.388 1
1 348 . 11 1 1 A 37 37 GLY HA2 H 37 4.013 4.013 0.000 1
1 349 . 11 1 1 A 37 37 GLY HA3 H 37 3.918 4.015 -0.097 1
1 350 . 11 1 1 A 37 37 GLY C C 37 174.052 174.670 -0.618 1
1 351 . 11 1 1 A 37 37 GLY CA C 37 45.367 45.488 -0.121 1
1 352 . 11 1 1 A 37 37 GLY N N 37 110.535 109.070 1.465 1
1 353 . 11 1 1 A 38 38 GLU H H 38 8.052 8.033 0.019 1
1 354 . 11 1 1 A 38 38 GLU HA H 38 4.218 4.368 -0.150 1
1 359 . 11 1 1 A 38 38 GLU CA C 38 56.434 56.321 0.113 1
1 360 . 11 1 1 A 38 38 GLU CB C 38 30.328 30.083 0.245 1
1 362 . 11 1 1 A 38 38 GLU N N 38 120.571 120.080 0.491 1
1 363 . 11 1 1 A 39 39 LYS H H 39 8.389 8.412 -0.023 1
1 364 . 11 1 1 A 39 39 LYS HA H 39 4.578 4.730 -0.152 1
1 373 . 11 1 1 A 39 39 LYS C C 39 173.753 176.335 -2.582 1
1 374 . 11 1 1 A 39 39 LYS CA C 39 54.091 53.236 0.855 1
1 375 . 11 1 1 A 39 39 LYS CB C 39 32.446 33.449 -1.003 1
1 379 . 11 1 1 A 39 39 LYS N N 39 123.889 123.432 0.457 1
1 380 . 11 1 1 A 40 40 PRO HA H 40 4.438 4.451 -0.013 1
1 387 . 11 1 1 A 40 40 PRO CA C 40 63.206 64.757 -1.551 1
1 388 . 11 1 1 A 40 40 PRO CB C 40 32.136 32.131 0.005 1
1 391 . 11 1 1 A 41 41 SER H H 41 8.460 7.626 0.834 1
1 392 . 11 1 1 A 41 41 SER N N 41 116.511 111.919 4.592 1
1 393 . 11 1 1 A 42 42 GLY HA2 H 42 4.109 3.905 0.204 1
1 394 . 11 1 1 A 42 42 GLY HA3 H 42 4.109 3.910 0.199 1
1 395 . 11 1 1 A 42 42 GLY CA C 42 44.689 45.526 -0.837 1
1 396 . 11 1 1 A 43 43 PRO HA H 43 4.440 4.469 -0.029 1
1 403 . 11 1 1 A 43 43 PRO CA C 43 63.206 62.940 0.266 1
1 404 . 11 1 1 A 43 43 PRO CB C 43 32.100 32.385 -0.285 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.489 4.376 0.113 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 3.885 4.068 -0.183 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.012 4.068 -0.056 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.367 44.321 1.046 1
1 5 . 12 1 1 A 8 8 THR HA H 8 4.329 5.220 -0.891 1
1 10 . 12 1 1 A 8 8 THR CA C 8 62.105 59.352 2.753 1
1 11 . 12 1 1 A 8 8 THR CB C 8 69.768 71.376 -1.608 1
1 13 . 12 1 1 A 9 9 GLY HA2 H 9 3.880 4.222 -0.342 1
1 14 . 12 1 1 A 9 9 GLY HA3 H 9 3.926 4.223 -0.297 1
1 15 . 12 1 1 A 9 9 GLY CA C 9 45.213 45.263 -0.050 1
1 16 . 12 1 1 A 10 10 GLU H H 10 8.181 8.524 -0.343 1
1 17 . 12 1 1 A 10 10 GLU HA H 10 4.130 4.388 -0.258 1
1 22 . 12 1 1 A 10 10 GLU CA C 10 56.831 56.857 -0.026 1
1 23 . 12 1 1 A 10 10 GLU CB C 10 30.246 30.049 0.197 1
1 25 . 12 1 1 A 10 10 GLU N N 10 120.199 120.148 0.051 1
1 26 . 12 1 1 A 11 11 LYS H H 11 8.309 8.548 -0.239 1
1 27 . 12 1 1 A 11 11 LYS HA H 11 4.352 4.827 -0.475 1
1 36 . 12 1 1 A 11 11 LYS C C 11 174.507 176.704 -2.197 1
1 37 . 12 1 1 A 11 11 LYS CA C 11 53.748 54.266 -0.518 1
1 38 . 12 1 1 A 11 11 LYS CB C 11 33.171 32.281 0.890 1
1 42 . 12 1 1 A 11 11 LYS N N 11 121.525 121.165 0.360 1
1 43 . 12 1 1 A 12 12 PRO HA H 12 4.174 4.526 -0.352 1
1 50 . 12 1 1 A 12 12 PRO C C 12 176.557 176.608 -0.051 1
1 51 . 12 1 1 A 12 12 PRO CA C 12 63.551 64.641 -1.090 1
1 52 . 12 1 1 A 12 12 PRO CB C 12 32.242 31.738 0.504 1
1 55 . 12 1 1 A 13 13 TYR H H 13 7.676 8.143 -0.467 1
1 56 . 12 1 1 A 13 13 TYR HA H 13 4.750 4.837 -0.087 1
1 63 . 12 1 1 A 13 13 TYR C C 13 174.491 175.252 -0.761 1
1 64 . 12 1 1 A 13 13 TYR CA C 13 56.955 57.227 -0.272 1
1 65 . 12 1 1 A 13 13 TYR CB C 13 37.991 37.622 0.369 1
1 70 . 12 1 1 A 13 13 TYR N N 13 118.317 117.290 1.027 1
1 71 . 12 1 1 A 14 14 LYS H H 14 8.550 7.466 1.084 1
1 72 . 12 1 1 A 14 14 LYS HA H 14 4.909 4.809 0.100 1
1 81 . 12 1 1 A 14 14 LYS C C 14 175.291 176.234 -0.943 1
1 82 . 12 1 1 A 14 14 LYS CA C 14 55.212 56.535 -1.323 1
1 83 . 12 1 1 A 14 14 LYS CB C 14 35.202 33.215 1.987 1
1 87 . 12 1 1 A 14 14 LYS N N 14 124.883 118.462 6.421 1
1 88 . 12 1 1 A 15 15 CYS H H 15 9.179 8.693 0.486 1
1 89 . 12 1 1 A 15 15 CYS HA H 15 4.479 4.572 -0.093 1
1 92 . 12 1 1 A 15 15 CYS C C 15 177.105 176.109 0.996 1
1 93 . 12 1 1 A 15 15 CYS CA C 15 59.396 59.014 0.382 1
1 94 . 12 1 1 A 15 15 CYS CB C 15 29.557 27.939 1.618 1
1 95 . 12 1 1 A 15 15 CYS N N 15 126.023 121.258 4.765 1
1 96 . 12 1 1 A 16 16 ASN H H 16 9.374 9.078 0.296 1
1 97 . 12 1 1 A 16 16 ASN HA H 16 4.495 4.543 -0.048 1
1 102 . 12 1 1 A 16 16 ASN C C 16 175.408 177.327 -1.919 1
1 103 . 12 1 1 A 16 16 ASN CA C 16 55.627 55.648 -0.021 1
1 104 . 12 1 1 A 16 16 ASN CB C 16 38.324 38.130 0.194 1
1 105 . 12 1 1 A 16 16 ASN N N 16 130.192 126.360 3.832 1
1 107 . 12 1 1 A 17 17 GLU H H 17 8.691 8.010 0.681 1
1 108 . 12 1 1 A 17 17 GLU HA H 17 4.198 4.013 0.185 1
1 113 . 12 1 1 A 17 17 GLU C C 17 177.098 178.376 -1.278 1
1 114 . 12 1 1 A 17 17 GLU CA C 17 58.381 58.853 -0.472 1
1 115 . 12 1 1 A 17 17 GLU CB C 17 29.486 29.722 -0.236 1
1 117 . 12 1 1 A 17 17 GLU N N 17 120.808 119.217 1.591 1
1 118 . 12 1 1 A 18 18 CYS H H 18 7.886 7.890 -0.004 1
1 119 . 12 1 1 A 18 18 CYS HA H 18 5.146 4.629 0.517 1
1 122 . 12 1 1 A 18 18 CYS C C 18 176.229 175.295 0.934 1
1 123 . 12 1 1 A 18 18 CYS CA C 18 58.295 59.770 -1.475 1
1 124 . 12 1 1 A 18 18 CYS CB C 18 32.487 29.529 2.958 1
1 125 . 12 1 1 A 18 18 CYS N N 18 114.653 114.746 -0.093 1
1 126 . 12 1 1 A 19 19 GLY H H 19 8.142 8.081 0.061 1
1 127 . 12 1 1 A 19 19 GLY HA2 H 19 3.765 4.053 -0.288 1
1 128 . 12 1 1 A 19 19 GLY HA3 H 19 4.228 4.068 0.160 1
1 129 . 12 1 1 A 19 19 GLY C C 19 173.689 174.301 -0.612 1
1 130 . 12 1 1 A 19 19 GLY CA C 19 46.178 45.337 0.841 1
1 131 . 12 1 1 A 19 19 GLY N N 19 113.359 110.090 3.269 1
1 132 . 12 1 1 A 20 20 LYS H H 20 7.980 7.888 0.092 1
1 133 . 12 1 1 A 20 20 LYS HA H 20 3.915 4.399 -0.484 1
1 142 . 12 1 1 A 20 20 LYS C C 20 173.709 175.483 -1.774 1
1 143 . 12 1 1 A 20 20 LYS CA C 20 58.301 55.219 3.082 1
1 144 . 12 1 1 A 20 20 LYS CB C 20 33.533 33.084 0.449 1
1 148 . 12 1 1 A 20 20 LYS N N 20 123.220 121.650 1.570 1
1 149 . 12 1 1 A 21 21 ALA H H 21 7.773 8.469 -0.696 1
1 150 . 12 1 1 A 21 21 ALA HA H 21 5.085 4.819 0.266 1
1 154 . 12 1 1 A 21 21 ALA C C 21 176.075 176.780 -0.705 1
1 155 . 12 1 1 A 21 21 ALA CA C 21 50.454 51.000 -0.546 1
1 156 . 12 1 1 A 21 21 ALA CB C 21 22.302 20.012 2.290 1
1 157 . 12 1 1 A 21 21 ALA N N 21 124.199 129.609 -5.410 1
1 158 . 12 1 1 A 22 22 PHE H H 22 8.752 9.174 -0.422 1
1 159 . 12 1 1 A 22 22 PHE HA H 22 4.758 4.952 -0.194 1
1 167 . 12 1 1 A 22 22 PHE C C 22 175.610 175.832 -0.222 1
1 168 . 12 1 1 A 22 22 PHE CA C 22 57.189 56.862 0.327 1
1 169 . 12 1 1 A 22 22 PHE CB C 22 44.496 42.065 2.431 1
1 175 . 12 1 1 A 22 22 PHE N N 22 116.243 121.693 -5.450 1
1 176 . 12 1 1 A 23 23 SER HA H 23 4.703 4.689 0.014 1
1 179 . 12 1 1 A 23 23 SER CA C 23 59.910 58.448 1.462 1
1 180 . 12 1 1 A 23 23 SER CB C 23 64.442 64.206 0.236 1
1 181 . 12 1 1 A 24 24 GLN H H 24 7.193 7.731 -0.538 1
1 182 . 12 1 1 A 24 24 GLN HA H 24 5.016 4.378 0.638 1
1 189 . 12 1 1 A 24 24 GLN CA C 24 54.212 54.902 -0.690 1
1 190 . 12 1 1 A 24 24 GLN CB C 24 33.306 32.042 1.264 1
1 192 . 12 1 1 A 24 24 GLN N N 24 116.538 119.547 -3.009 1
1 194 . 12 1 1 A 25 25 THR HA H 25 3.308 3.812 -0.504 1
1 199 . 12 1 1 A 25 25 THR CA C 25 65.410 66.125 -0.715 1
1 200 . 12 1 1 A 25 25 THR CB C 25 67.602 68.556 -0.954 1
1 202 . 12 1 1 A 26 26 SER HA H 26 4.118 3.958 0.160 1
1 205 . 12 1 1 A 26 26 SER C C 26 177.127 176.567 0.560 1
1 206 . 12 1 1 A 26 26 SER CA C 26 60.803 61.934 -1.131 1
1 207 . 12 1 1 A 26 26 SER CB C 26 61.469 62.794 -1.325 1
1 208 . 12 1 1 A 27 27 LYS H H 27 6.629 7.925 -1.296 1
1 209 . 12 1 1 A 27 27 LYS HA H 27 3.994 3.994 0.000 1
1 218 . 12 1 1 A 27 27 LYS C C 27 178.777 178.609 0.168 1
1 219 . 12 1 1 A 27 27 LYS CA C 27 58.430 59.434 -1.004 1
1 220 . 12 1 1 A 27 27 LYS CB C 27 32.710 32.657 0.053 1
1 224 . 12 1 1 A 27 27 LYS N N 27 121.916 121.653 0.263 1
1 225 . 12 1 1 A 28 28 LEU H H 28 7.010 7.681 -0.671 1
1 226 . 12 1 1 A 28 28 LEU HA H 28 3.123 1.505 1.618 1
1 236 . 12 1 1 A 28 28 LEU C C 28 177.314 177.616 -0.302 1
1 237 . 12 1 1 A 28 28 LEU CA C 28 57.755 57.334 0.421 1
1 238 . 12 1 1 A 28 28 LEU CB C 28 40.258 41.117 -0.859 1
1 242 . 12 1 1 A 28 28 LEU N N 28 122.007 121.201 0.806 1
1 243 . 12 1 1 A 29 29 ALA H H 29 8.109 8.245 -0.136 1
1 244 . 12 1 1 A 29 29 ALA HA H 29 4.132 4.065 0.067 1
1 248 . 12 1 1 A 29 29 ALA C C 29 180.600 179.227 1.373 1
1 249 . 12 1 1 A 29 29 ALA CA C 29 55.046 55.463 -0.417 1
1 250 . 12 1 1 A 29 29 ALA CB C 29 17.657 18.339 -0.682 1
1 251 . 12 1 1 A 29 29 ALA N N 29 120.851 120.659 0.192 1
1 252 . 12 1 1 A 30 30 ARG H H 30 7.359 8.211 -0.852 1
1 253 . 12 1 1 A 30 30 ARG HA H 30 3.923 3.969 -0.046 1
1 260 . 12 1 1 A 30 30 ARG C C 30 178.903 178.401 0.502 1
1 261 . 12 1 1 A 30 30 ARG CA C 30 58.961 58.475 0.486 1
1 262 . 12 1 1 A 30 30 ARG CB C 30 29.999 29.925 0.074 1
1 265 . 12 1 1 A 30 30 ARG N N 30 116.625 118.623 -1.998 1
1 266 . 12 1 1 A 31 31 HIS H H 31 7.521 7.950 -0.429 1
1 267 . 12 1 1 A 31 31 HIS HA H 31 4.176 4.276 -0.100 1
1 272 . 12 1 1 A 31 31 HIS C C 31 176.189 177.393 -1.204 1
1 273 . 12 1 1 A 31 31 HIS CA C 31 59.062 59.242 -0.180 1
1 274 . 12 1 1 A 31 31 HIS CB C 31 28.455 30.294 -1.839 1
1 277 . 12 1 1 A 31 31 HIS N N 31 119.368 119.345 0.023 1
1 278 . 12 1 1 A 32 32 GLN H H 32 8.334 8.724 -0.390 1
1 279 . 12 1 1 A 32 32 GLN HA H 32 3.658 4.024 -0.366 1
1 286 . 12 1 1 A 32 32 GLN C C 32 177.410 178.497 -1.087 1
1 287 . 12 1 1 A 32 32 GLN CA C 32 59.343 59.087 0.256 1
1 288 . 12 1 1 A 32 32 GLN CB C 32 28.331 28.225 0.106 1
1 290 . 12 1 1 A 32 32 GLN N N 32 115.359 118.054 -2.695 1
1 292 . 12 1 1 A 33 33 ARG H H 33 7.077 7.679 -0.602 1
1 293 . 12 1 1 A 33 33 ARG HA H 33 4.108 4.088 0.020 1
1 300 . 12 1 1 A 33 33 ARG C C 33 178.553 177.636 0.917 1
1 301 . 12 1 1 A 33 33 ARG CA C 33 58.250 58.213 0.037 1
1 302 . 12 1 1 A 33 33 ARG CB C 33 29.969 30.051 -0.082 1
1 305 . 12 1 1 A 33 33 ARG N N 33 117.106 118.334 -1.228 1
1 306 . 12 1 1 A 34 34 ILE H H 34 7.777 8.084 -0.307 1
1 307 . 12 1 1 A 34 34 ILE HA H 34 3.940 4.126 -0.186 1
1 317 . 12 1 1 A 34 34 ILE C C 34 177.451 176.178 1.273 1
1 318 . 12 1 1 A 34 34 ILE CA C 34 63.117 61.628 1.489 1
1 319 . 12 1 1 A 34 34 ILE CB C 34 37.637 37.517 0.120 1
1 323 . 12 1 1 A 34 34 ILE N N 34 116.459 113.376 3.083 1
1 324 . 12 1 1 A 35 35 HIS H H 35 7.182 8.375 -1.193 1
1 325 . 12 1 1 A 35 35 HIS HA H 35 4.828 4.537 0.291 1
1 330 . 12 1 1 A 35 35 HIS C C 35 175.851 176.252 -0.401 1
1 331 . 12 1 1 A 35 35 HIS CA C 35 55.280 56.572 -1.292 1
1 332 . 12 1 1 A 35 35 HIS CB C 35 28.512 31.067 -2.555 1
1 335 . 12 1 1 A 35 35 HIS N N 35 117.602 119.955 -2.353 1
1 336 . 12 1 1 A 36 36 THR H H 36 7.747 7.938 -0.191 1
1 337 . 12 1 1 A 36 36 THR HA H 36 4.331 4.247 0.084 1
1 342 . 12 1 1 A 36 36 THR C C 36 175.469 174.751 0.718 1
1 343 . 12 1 1 A 36 36 THR CA C 36 62.467 63.543 -1.076 1
1 344 . 12 1 1 A 36 36 THR CB C 36 69.824 70.126 -0.302 1
1 346 . 12 1 1 A 36 36 THR N N 36 111.513 111.945 -0.432 1
1 347 . 12 1 1 A 37 37 GLY H H 37 8.182 7.740 0.442 1
1 348 . 12 1 1 A 37 37 GLY HA2 H 37 4.013 4.042 -0.029 1
1 349 . 12 1 1 A 37 37 GLY HA3 H 37 3.918 4.052 -0.134 1
1 350 . 12 1 1 A 37 37 GLY C C 37 174.052 174.539 -0.487 1
1 351 . 12 1 1 A 37 37 GLY CA C 37 45.367 44.692 0.675 1
1 352 . 12 1 1 A 37 37 GLY N N 37 110.535 108.310 2.225 1
1 353 . 12 1 1 A 38 38 GLU H H 38 8.052 8.748 -0.696 1
1 354 . 12 1 1 A 38 38 GLU HA H 38 4.218 4.678 -0.460 1
1 359 . 12 1 1 A 38 38 GLU CA C 38 56.434 56.925 -0.491 1
1 360 . 12 1 1 A 38 38 GLU CB C 38 30.328 32.194 -1.866 1
1 362 . 12 1 1 A 38 38 GLU N N 38 120.571 119.816 0.755 1
1 363 . 12 1 1 A 39 39 LYS H H 39 8.389 7.699 0.690 1
1 364 . 12 1 1 A 39 39 LYS HA H 39 4.578 4.749 -0.171 1
1 373 . 12 1 1 A 39 39 LYS C C 39 173.753 173.492 0.261 1
1 374 . 12 1 1 A 39 39 LYS CA C 39 54.091 54.564 -0.473 1
1 375 . 12 1 1 A 39 39 LYS CB C 39 32.446 34.920 -2.474 1
1 379 . 12 1 1 A 39 39 LYS N N 39 123.889 114.631 9.258 1
1 380 . 12 1 1 A 40 40 PRO HA H 40 4.438 4.745 -0.307 1
1 387 . 12 1 1 A 40 40 PRO CA C 40 63.206 62.813 0.393 1
1 388 . 12 1 1 A 40 40 PRO CB C 40 32.136 31.791 0.345 1
1 391 . 12 1 1 A 41 41 SER H H 41 8.460 8.560 -0.100 1
1 392 . 12 1 1 A 41 41 SER N N 41 116.511 114.330 2.181 1
1 393 . 12 1 1 A 42 42 GLY HA2 H 42 4.109 4.359 -0.250 1
1 394 . 12 1 1 A 42 42 GLY HA3 H 42 4.109 4.359 -0.250 1
1 395 . 12 1 1 A 42 42 GLY CA C 42 44.689 44.267 0.422 1
1 396 . 12 1 1 A 43 43 PRO HA H 43 4.440 4.652 -0.212 1
1 403 . 12 1 1 A 43 43 PRO CA C 43 63.206 62.676 0.530 1
1 404 . 12 1 1 A 43 43 PRO CB C 43 32.100 31.896 0.204 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.489 4.981 -0.492 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 3.885 4.124 -0.239 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.012 4.124 -0.112 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.367 44.721 0.646 1
1 5 . 13 1 1 A 8 8 THR HA H 8 4.329 4.764 -0.435 1
1 10 . 13 1 1 A 8 8 THR CA C 8 62.105 60.319 1.786 1
1 11 . 13 1 1 A 8 8 THR CB C 8 69.768 68.496 1.272 1
1 13 . 13 1 1 A 9 9 GLY HA2 H 9 3.880 4.101 -0.221 1
1 14 . 13 1 1 A 9 9 GLY HA3 H 9 3.926 4.102 -0.176 1
1 15 . 13 1 1 A 9 9 GLY CA C 9 45.213 44.631 0.582 1
1 16 . 13 1 1 A 10 10 GLU H H 10 8.181 8.505 -0.324 1
1 17 . 13 1 1 A 10 10 GLU HA H 10 4.130 4.519 -0.389 1
1 22 . 13 1 1 A 10 10 GLU CA C 10 56.831 56.626 0.205 1
1 23 . 13 1 1 A 10 10 GLU CB C 10 30.246 30.155 0.091 1
1 25 . 13 1 1 A 10 10 GLU N N 10 120.199 119.561 0.638 1
1 26 . 13 1 1 A 11 11 LYS H H 11 8.309 8.537 -0.228 1
1 27 . 13 1 1 A 11 11 LYS HA H 11 4.352 4.832 -0.480 1
1 36 . 13 1 1 A 11 11 LYS C C 11 174.507 176.698 -2.191 1
1 37 . 13 1 1 A 11 11 LYS CA C 11 53.748 54.356 -0.608 1
1 38 . 13 1 1 A 11 11 LYS CB C 11 33.171 32.322 0.849 1
1 42 . 13 1 1 A 11 11 LYS N N 11 121.525 121.128 0.397 1
1 43 . 13 1 1 A 12 12 PRO HA H 12 4.174 4.570 -0.396 1
1 50 . 13 1 1 A 12 12 PRO C C 12 176.557 176.191 0.366 1
1 51 . 13 1 1 A 12 12 PRO CA C 12 63.551 64.713 -1.162 1
1 52 . 13 1 1 A 12 12 PRO CB C 12 32.242 31.850 0.392 1
1 55 . 13 1 1 A 13 13 TYR H H 13 7.676 8.178 -0.502 1
1 56 . 13 1 1 A 13 13 TYR HA H 13 4.750 4.690 0.060 1
1 63 . 13 1 1 A 13 13 TYR C C 13 174.491 174.564 -0.073 1
1 64 . 13 1 1 A 13 13 TYR CA C 13 56.955 56.867 0.088 1
1 65 . 13 1 1 A 13 13 TYR CB C 13 37.991 36.507 1.484 1
1 70 . 13 1 1 A 13 13 TYR N N 13 118.317 117.928 0.389 1
1 71 . 13 1 1 A 14 14 LYS H H 14 8.550 7.968 0.582 1
1 72 . 13 1 1 A 14 14 LYS HA H 14 4.909 5.417 -0.508 1
1 81 . 13 1 1 A 14 14 LYS C C 14 175.291 175.130 0.161 1
1 82 . 13 1 1 A 14 14 LYS CA C 14 55.212 54.368 0.844 1
1 83 . 13 1 1 A 14 14 LYS CB C 14 35.202 34.661 0.541 1
1 87 . 13 1 1 A 14 14 LYS N N 14 124.883 120.545 4.338 1
1 88 . 13 1 1 A 15 15 CYS H H 15 9.179 8.792 0.387 1
1 89 . 13 1 1 A 15 15 CYS HA H 15 4.479 4.802 -0.323 1
1 92 . 13 1 1 A 15 15 CYS C C 15 177.105 175.880 1.225 1
1 93 . 13 1 1 A 15 15 CYS CA C 15 59.396 57.626 1.770 1
1 94 . 13 1 1 A 15 15 CYS CB C 15 29.557 28.897 0.660 1
1 95 . 13 1 1 A 15 15 CYS N N 15 126.023 119.896 6.127 1
1 96 . 13 1 1 A 16 16 ASN H H 16 9.374 9.232 0.142 1
1 97 . 13 1 1 A 16 16 ASN HA H 16 4.495 4.936 -0.441 1
1 102 . 13 1 1 A 16 16 ASN C C 16 175.408 176.308 -0.900 1
1 103 . 13 1 1 A 16 16 ASN CA C 16 55.627 53.639 1.988 1
1 104 . 13 1 1 A 16 16 ASN CB C 16 38.324 38.293 0.031 1
1 105 . 13 1 1 A 16 16 ASN N N 16 130.192 126.665 3.527 1
1 107 . 13 1 1 A 17 17 GLU H H 17 8.691 8.000 0.691 1
1 108 . 13 1 1 A 17 17 GLU HA H 17 4.198 4.216 -0.018 1
1 113 . 13 1 1 A 17 17 GLU C C 17 177.098 177.809 -0.711 1
1 114 . 13 1 1 A 17 17 GLU CA C 17 58.381 57.514 0.867 1
1 115 . 13 1 1 A 17 17 GLU CB C 17 29.486 30.028 -0.542 1
1 117 . 13 1 1 A 17 17 GLU N N 17 120.808 118.122 2.686 1
1 118 . 13 1 1 A 18 18 CYS H H 18 7.886 7.587 0.299 1
1 119 . 13 1 1 A 18 18 CYS HA H 18 5.146 4.765 0.381 1
1 122 . 13 1 1 A 18 18 CYS C C 18 176.229 175.985 0.244 1
1 123 . 13 1 1 A 18 18 CYS CA C 18 58.295 59.085 -0.790 1
1 124 . 13 1 1 A 18 18 CYS CB C 18 32.487 30.584 1.903 1
1 125 . 13 1 1 A 18 18 CYS N N 18 114.653 114.958 -0.305 1
1 126 . 13 1 1 A 19 19 GLY H H 19 8.142 8.893 -0.751 1
1 127 . 13 1 1 A 19 19 GLY HA2 H 19 3.765 3.949 -0.184 1
1 128 . 13 1 1 A 19 19 GLY HA3 H 19 4.228 3.959 0.269 1
1 129 . 13 1 1 A 19 19 GLY C C 19 173.689 174.337 -0.648 1
1 130 . 13 1 1 A 19 19 GLY CA C 19 46.178 46.074 0.104 1
1 131 . 13 1 1 A 19 19 GLY N N 19 113.359 110.729 2.630 1
1 132 . 13 1 1 A 20 20 LYS H H 20 7.980 7.722 0.258 1
1 133 . 13 1 1 A 20 20 LYS HA H 20 3.915 4.480 -0.565 1
1 142 . 13 1 1 A 20 20 LYS C C 20 173.709 175.226 -1.517 1
1 143 . 13 1 1 A 20 20 LYS CA C 20 58.301 54.695 3.606 1
1 144 . 13 1 1 A 20 20 LYS CB C 20 33.533 33.815 -0.282 1
1 148 . 13 1 1 A 20 20 LYS N N 20 123.220 120.774 2.446 1
1 149 . 13 1 1 A 21 21 ALA H H 21 7.773 8.779 -1.006 1
1 150 . 13 1 1 A 21 21 ALA HA H 21 5.085 5.282 -0.197 1
1 154 . 13 1 1 A 21 21 ALA C C 21 176.075 176.460 -0.385 1
1 155 . 13 1 1 A 21 21 ALA CA C 21 50.454 50.362 0.092 1
1 156 . 13 1 1 A 21 21 ALA CB C 21 22.302 20.801 1.501 1
1 157 . 13 1 1 A 21 21 ALA N N 21 124.199 129.104 -4.905 1
1 158 . 13 1 1 A 22 22 PHE H H 22 8.752 8.969 -0.217 1
1 159 . 13 1 1 A 22 22 PHE HA H 22 4.758 4.908 -0.150 1
1 167 . 13 1 1 A 22 22 PHE C C 22 175.610 175.984 -0.374 1
1 168 . 13 1 1 A 22 22 PHE CA C 22 57.189 56.588 0.601 1
1 169 . 13 1 1 A 22 22 PHE CB C 22 44.496 42.741 1.755 1
1 175 . 13 1 1 A 22 22 PHE N N 22 116.243 119.943 -3.700 1
1 176 . 13 1 1 A 23 23 SER HA H 23 4.703 4.534 0.169 1
1 179 . 13 1 1 A 23 23 SER CA C 23 59.910 60.221 -0.311 1
1 180 . 13 1 1 A 23 23 SER CB C 23 64.442 64.164 0.278 1
1 181 . 13 1 1 A 24 24 GLN H H 24 7.193 7.815 -0.622 1
1 182 . 13 1 1 A 24 24 GLN HA H 24 5.016 4.616 0.400 1
1 189 . 13 1 1 A 24 24 GLN CA C 24 54.212 54.393 -0.181 1
1 190 . 13 1 1 A 24 24 GLN CB C 24 33.306 31.670 1.636 1
1 192 . 13 1 1 A 24 24 GLN N N 24 116.538 119.043 -2.505 1
1 194 . 13 1 1 A 25 25 THR HA H 25 3.308 3.783 -0.475 1
1 199 . 13 1 1 A 25 25 THR CA C 25 65.410 66.212 -0.802 1
1 200 . 13 1 1 A 25 25 THR CB C 25 67.602 68.710 -1.108 1
1 202 . 13 1 1 A 26 26 SER HA H 26 4.118 3.978 0.140 1
1 205 . 13 1 1 A 26 26 SER C C 26 177.127 177.272 -0.145 1
1 206 . 13 1 1 A 26 26 SER CA C 26 60.803 61.670 -0.867 1
1 207 . 13 1 1 A 26 26 SER CB C 26 61.469 62.927 -1.458 1
1 208 . 13 1 1 A 27 27 LYS H H 27 6.629 7.966 -1.337 1
1 209 . 13 1 1 A 27 27 LYS HA H 27 3.994 4.039 -0.045 1
1 218 . 13 1 1 A 27 27 LYS C C 27 178.777 178.829 -0.052 1
1 219 . 13 1 1 A 27 27 LYS CA C 27 58.430 59.437 -1.007 1
1 220 . 13 1 1 A 27 27 LYS CB C 27 32.710 32.879 -0.169 1
1 224 . 13 1 1 A 27 27 LYS N N 27 121.916 121.215 0.701 1
1 225 . 13 1 1 A 28 28 LEU H H 28 7.010 7.550 -0.540 1
1 226 . 13 1 1 A 28 28 LEU HA H 28 3.123 1.513 1.610 1
1 236 . 13 1 1 A 28 28 LEU C C 28 177.314 177.768 -0.454 1
1 237 . 13 1 1 A 28 28 LEU CA C 28 57.755 57.369 0.386 1
1 238 . 13 1 1 A 28 28 LEU CB C 28 40.258 41.434 -1.176 1
1 242 . 13 1 1 A 28 28 LEU N N 28 122.007 121.206 0.801 1
1 243 . 13 1 1 A 29 29 ALA H H 29 8.109 8.272 -0.163 1
1 244 . 13 1 1 A 29 29 ALA HA H 29 4.132 4.001 0.131 1
1 248 . 13 1 1 A 29 29 ALA C C 29 180.600 180.283 0.317 1
1 249 . 13 1 1 A 29 29 ALA CA C 29 55.046 55.428 -0.382 1
1 250 . 13 1 1 A 29 29 ALA CB C 29 17.657 18.575 -0.918 1
1 251 . 13 1 1 A 29 29 ALA N N 29 120.851 119.895 0.956 1
1 252 . 13 1 1 A 30 30 ARG H H 30 7.359 8.065 -0.706 1
1 253 . 13 1 1 A 30 30 ARG HA H 30 3.923 4.072 -0.149 1
1 260 . 13 1 1 A 30 30 ARG C C 30 178.903 178.586 0.317 1
1 261 . 13 1 1 A 30 30 ARG CA C 30 58.961 58.997 -0.036 1
1 262 . 13 1 1 A 30 30 ARG CB C 30 29.999 29.941 0.058 1
1 265 . 13 1 1 A 30 30 ARG N N 30 116.625 117.577 -0.952 1
1 266 . 13 1 1 A 31 31 HIS H H 31 7.521 8.132 -0.611 1
1 267 . 13 1 1 A 31 31 HIS HA H 31 4.176 4.264 -0.088 1
1 272 . 13 1 1 A 31 31 HIS C C 31 176.189 177.316 -1.127 1
1 273 . 13 1 1 A 31 31 HIS CA C 31 59.062 59.215 -0.153 1
1 274 . 13 1 1 A 31 31 HIS CB C 31 28.455 30.317 -1.862 1
1 277 . 13 1 1 A 31 31 HIS N N 31 119.368 121.356 -1.988 1
1 278 . 13 1 1 A 32 32 GLN H H 32 8.334 8.791 -0.457 1
1 279 . 13 1 1 A 32 32 GLN HA H 32 3.658 4.112 -0.454 1
1 286 . 13 1 1 A 32 32 GLN C C 32 177.410 178.425 -1.015 1
1 287 . 13 1 1 A 32 32 GLN CA C 32 59.343 59.125 0.218 1
1 288 . 13 1 1 A 32 32 GLN CB C 32 28.331 28.168 0.163 1
1 290 . 13 1 1 A 32 32 GLN N N 32 115.359 118.454 -3.095 1
1 292 . 13 1 1 A 33 33 ARG H H 33 7.077 7.730 -0.653 1
1 293 . 13 1 1 A 33 33 ARG HA H 33 4.108 4.063 0.045 1
1 300 . 13 1 1 A 33 33 ARG C C 33 178.553 178.045 0.508 1
1 301 . 13 1 1 A 33 33 ARG CA C 33 58.250 58.319 -0.069 1
1 302 . 13 1 1 A 33 33 ARG CB C 33 29.969 30.137 -0.168 1
1 305 . 13 1 1 A 33 33 ARG N N 33 117.106 118.990 -1.884 1
1 306 . 13 1 1 A 34 34 ILE H H 34 7.777 8.003 -0.226 1
1 307 . 13 1 1 A 34 34 ILE HA H 34 3.940 3.974 -0.034 1
1 317 . 13 1 1 A 34 34 ILE C C 34 177.451 176.473 0.978 1
1 318 . 13 1 1 A 34 34 ILE CA C 34 63.117 62.228 0.889 1
1 319 . 13 1 1 A 34 34 ILE CB C 34 37.637 37.367 0.270 1
1 323 . 13 1 1 A 34 34 ILE N N 34 116.459 114.688 1.771 1
1 324 . 13 1 1 A 35 35 HIS H H 35 7.182 8.117 -0.935 1
1 325 . 13 1 1 A 35 35 HIS HA H 35 4.828 4.546 0.282 1
1 330 . 13 1 1 A 35 35 HIS C C 35 175.851 175.194 0.657 1
1 331 . 13 1 1 A 35 35 HIS CA C 35 55.280 57.341 -2.061 1
1 332 . 13 1 1 A 35 35 HIS CB C 35 28.512 31.339 -2.827 1
1 335 . 13 1 1 A 35 35 HIS N N 35 117.602 119.023 -1.421 1
1 336 . 13 1 1 A 36 36 THR H H 36 7.747 7.178 0.569 1
1 337 . 13 1 1 A 36 36 THR HA H 36 4.331 4.183 0.148 1
1 342 . 13 1 1 A 36 36 THR C C 36 175.469 174.503 0.966 1
1 343 . 13 1 1 A 36 36 THR CA C 36 62.467 62.771 -0.304 1
1 344 . 13 1 1 A 36 36 THR CB C 36 69.824 69.832 -0.008 1
1 346 . 13 1 1 A 36 36 THR N N 36 111.513 114.859 -3.346 1
1 347 . 13 1 1 A 37 37 GLY H H 37 8.182 8.617 -0.435 1
1 348 . 13 1 1 A 37 37 GLY HA2 H 37 4.013 4.129 -0.116 1
1 349 . 13 1 1 A 37 37 GLY HA3 H 37 3.918 4.131 -0.213 1
1 350 . 13 1 1 A 37 37 GLY C C 37 174.052 174.241 -0.189 1
1 351 . 13 1 1 A 37 37 GLY CA C 37 45.367 45.459 -0.092 1
1 352 . 13 1 1 A 37 37 GLY N N 37 110.535 115.398 -4.863 1
1 353 . 13 1 1 A 38 38 GLU H H 38 8.052 8.805 -0.753 1
1 354 . 13 1 1 A 38 38 GLU HA H 38 4.218 4.623 -0.405 1
1 359 . 13 1 1 A 38 38 GLU CA C 38 56.434 56.971 -0.537 1
1 360 . 13 1 1 A 38 38 GLU CB C 38 30.328 31.843 -1.515 1
1 362 . 13 1 1 A 38 38 GLU N N 38 120.571 124.426 -3.855 1
1 363 . 13 1 1 A 39 39 LYS H H 39 8.389 7.647 0.742 1
1 364 . 13 1 1 A 39 39 LYS HA H 39 4.578 4.574 0.004 1
1 373 . 13 1 1 A 39 39 LYS C C 39 173.753 176.164 -2.411 1
1 374 . 13 1 1 A 39 39 LYS CA C 39 54.091 53.851 0.240 1
1 375 . 13 1 1 A 39 39 LYS CB C 39 32.446 32.493 -0.047 1
1 379 . 13 1 1 A 39 39 LYS N N 39 123.889 118.504 5.385 1
1 380 . 13 1 1 A 40 40 PRO HA H 40 4.438 4.436 0.002 1
1 387 . 13 1 1 A 40 40 PRO CA C 40 63.206 64.315 -1.109 1
1 388 . 13 1 1 A 40 40 PRO CB C 40 32.136 32.036 0.100 1
1 391 . 13 1 1 A 41 41 SER H H 41 8.460 8.192 0.268 1
1 392 . 13 1 1 A 41 41 SER N N 41 116.511 112.789 3.722 1
1 393 . 13 1 1 A 42 42 GLY HA2 H 42 4.109 4.090 0.019 1
1 394 . 13 1 1 A 42 42 GLY HA3 H 42 4.109 4.090 0.019 1
1 395 . 13 1 1 A 42 42 GLY CA C 42 44.689 44.492 0.197 1
1 396 . 13 1 1 A 43 43 PRO HA H 43 4.440 4.513 -0.073 1
1 403 . 13 1 1 A 43 43 PRO CA C 43 63.206 64.041 -0.835 1
1 404 . 13 1 1 A 43 43 PRO CB C 43 32.100 31.397 0.703 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.489 4.212 0.277 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 3.885 4.063 -0.178 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.012 4.067 -0.055 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.367 45.242 0.125 1
1 5 . 14 1 1 A 8 8 THR HA H 8 4.329 4.582 -0.253 1
1 10 . 14 1 1 A 8 8 THR CA C 8 62.105 60.333 1.772 1
1 11 . 14 1 1 A 8 8 THR CB C 8 69.768 70.816 -1.048 1
1 13 . 14 1 1 A 9 9 GLY HA2 H 9 3.880 4.124 -0.244 1
1 14 . 14 1 1 A 9 9 GLY HA3 H 9 3.926 4.124 -0.198 1
1 15 . 14 1 1 A 9 9 GLY CA C 9 45.213 43.931 1.282 1
1 16 . 14 1 1 A 10 10 GLU H H 10 8.181 8.440 -0.259 1
1 17 . 14 1 1 A 10 10 GLU HA H 10 4.130 4.846 -0.716 1
1 22 . 14 1 1 A 10 10 GLU CA C 10 56.831 55.597 1.234 1
1 23 . 14 1 1 A 10 10 GLU CB C 10 30.246 30.793 -0.547 1
1 25 . 14 1 1 A 10 10 GLU N N 10 120.199 121.220 -1.021 1
1 26 . 14 1 1 A 11 11 LYS H H 11 8.309 8.508 -0.199 1
1 27 . 14 1 1 A 11 11 LYS HA H 11 4.352 4.826 -0.474 1
1 36 . 14 1 1 A 11 11 LYS C C 11 174.507 176.684 -2.177 1
1 37 . 14 1 1 A 11 11 LYS CA C 11 53.748 54.338 -0.590 1
1 38 . 14 1 1 A 11 11 LYS CB C 11 33.171 32.297 0.874 1
1 42 . 14 1 1 A 11 11 LYS N N 11 121.525 121.059 0.466 1
1 43 . 14 1 1 A 12 12 PRO HA H 12 4.174 4.542 -0.368 1
1 50 . 14 1 1 A 12 12 PRO C C 12 176.557 176.728 -0.171 1
1 51 . 14 1 1 A 12 12 PRO CA C 12 63.551 64.668 -1.117 1
1 52 . 14 1 1 A 12 12 PRO CB C 12 32.242 31.805 0.437 1
1 55 . 14 1 1 A 13 13 TYR H H 13 7.676 8.180 -0.504 1
1 56 . 14 1 1 A 13 13 TYR HA H 13 4.750 4.787 -0.037 1
1 63 . 14 1 1 A 13 13 TYR C C 13 174.491 175.264 -0.773 1
1 64 . 14 1 1 A 13 13 TYR CA C 13 56.955 57.457 -0.502 1
1 65 . 14 1 1 A 13 13 TYR CB C 13 37.991 37.699 0.292 1
1 70 . 14 1 1 A 13 13 TYR N N 13 118.317 117.369 0.948 1
1 71 . 14 1 1 A 14 14 LYS H H 14 8.550 7.472 1.078 1
1 72 . 14 1 1 A 14 14 LYS HA H 14 4.909 5.028 -0.119 1
1 81 . 14 1 1 A 14 14 LYS C C 14 175.291 176.271 -0.980 1
1 82 . 14 1 1 A 14 14 LYS CA C 14 55.212 56.678 -1.466 1
1 83 . 14 1 1 A 14 14 LYS CB C 14 35.202 32.998 2.204 1
1 87 . 14 1 1 A 14 14 LYS N N 14 124.883 118.463 6.420 1
1 88 . 14 1 1 A 15 15 CYS H H 15 9.179 9.130 0.049 1
1 89 . 14 1 1 A 15 15 CYS HA H 15 4.479 4.613 -0.134 1
1 92 . 14 1 1 A 15 15 CYS C C 15 177.105 175.636 1.469 1
1 93 . 14 1 1 A 15 15 CYS CA C 15 59.396 59.280 0.116 1
1 94 . 14 1 1 A 15 15 CYS CB C 15 29.557 28.195 1.362 1
1 95 . 14 1 1 A 15 15 CYS N N 15 126.023 121.164 4.859 1
1 96 . 14 1 1 A 16 16 ASN H H 16 9.374 8.986 0.388 1
1 97 . 14 1 1 A 16 16 ASN HA H 16 4.495 4.482 0.013 1
1 102 . 14 1 1 A 16 16 ASN C C 16 175.408 177.434 -2.026 1
1 103 . 14 1 1 A 16 16 ASN CA C 16 55.627 56.015 -0.388 1
1 104 . 14 1 1 A 16 16 ASN CB C 16 38.324 38.058 0.266 1
1 105 . 14 1 1 A 16 16 ASN N N 16 130.192 126.580 3.612 1
1 107 . 14 1 1 A 17 17 GLU H H 17 8.691 8.005 0.686 1
1 108 . 14 1 1 A 17 17 GLU HA H 17 4.198 3.956 0.242 1
1 113 . 14 1 1 A 17 17 GLU C C 17 177.098 178.367 -1.269 1
1 114 . 14 1 1 A 17 17 GLU CA C 17 58.381 58.843 -0.462 1
1 115 . 14 1 1 A 17 17 GLU CB C 17 29.486 29.119 0.367 1
1 117 . 14 1 1 A 17 17 GLU N N 17 120.808 120.519 0.289 1
1 118 . 14 1 1 A 18 18 CYS H H 18 7.886 7.841 0.045 1
1 119 . 14 1 1 A 18 18 CYS HA H 18 5.146 4.546 0.600 1
1 122 . 14 1 1 A 18 18 CYS C C 18 176.229 175.391 0.838 1
1 123 . 14 1 1 A 18 18 CYS CA C 18 58.295 59.910 -1.615 1
1 124 . 14 1 1 A 18 18 CYS CB C 18 32.487 29.223 3.264 1
1 125 . 14 1 1 A 18 18 CYS N N 18 114.653 114.754 -0.101 1
1 126 . 14 1 1 A 19 19 GLY H H 19 8.142 8.351 -0.209 1
1 127 . 14 1 1 A 19 19 GLY HA2 H 19 3.765 4.000 -0.235 1
1 128 . 14 1 1 A 19 19 GLY HA3 H 19 4.228 4.014 0.214 1
1 129 . 14 1 1 A 19 19 GLY C C 19 173.689 174.357 -0.668 1
1 130 . 14 1 1 A 19 19 GLY CA C 19 46.178 45.786 0.392 1
1 131 . 14 1 1 A 19 19 GLY N N 19 113.359 110.180 3.179 1
1 132 . 14 1 1 A 20 20 LYS H H 20 7.980 7.746 0.234 1
1 133 . 14 1 1 A 20 20 LYS HA H 20 3.915 4.461 -0.546 1
1 142 . 14 1 1 A 20 20 LYS C C 20 173.709 175.268 -1.559 1
1 143 . 14 1 1 A 20 20 LYS CA C 20 58.301 54.665 3.636 1
1 144 . 14 1 1 A 20 20 LYS CB C 20 33.533 33.767 -0.234 1
1 148 . 14 1 1 A 20 20 LYS N N 20 123.220 120.827 2.393 1
1 149 . 14 1 1 A 21 21 ALA H H 21 7.773 8.549 -0.776 1
1 150 . 14 1 1 A 21 21 ALA HA H 21 5.085 4.976 0.109 1
1 154 . 14 1 1 A 21 21 ALA C C 21 176.075 176.552 -0.477 1
1 155 . 14 1 1 A 21 21 ALA CA C 21 50.454 51.127 -0.673 1
1 156 . 14 1 1 A 21 21 ALA CB C 21 22.302 20.341 1.961 1
1 157 . 14 1 1 A 21 21 ALA N N 21 124.199 128.714 -4.515 1
1 158 . 14 1 1 A 22 22 PHE H H 22 8.752 9.013 -0.261 1
1 159 . 14 1 1 A 22 22 PHE HA H 22 4.758 4.973 -0.215 1
1 167 . 14 1 1 A 22 22 PHE C C 22 175.610 176.049 -0.439 1
1 168 . 14 1 1 A 22 22 PHE CA C 22 57.189 56.349 0.840 1
1 169 . 14 1 1 A 22 22 PHE CB C 22 44.496 41.548 2.948 1
1 175 . 14 1 1 A 22 22 PHE N N 22 116.243 119.657 -3.414 1
1 176 . 14 1 1 A 23 23 SER HA H 23 4.703 4.485 0.218 1
1 179 . 14 1 1 A 23 23 SER CA C 23 59.910 60.716 -0.806 1
1 180 . 14 1 1 A 23 23 SER CB C 23 64.442 63.564 0.878 1
1 181 . 14 1 1 A 24 24 GLN H H 24 7.193 7.848 -0.655 1
1 182 . 14 1 1 A 24 24 GLN HA H 24 5.016 4.627 0.389 1
1 189 . 14 1 1 A 24 24 GLN CA C 24 54.212 54.451 -0.239 1
1 190 . 14 1 1 A 24 24 GLN CB C 24 33.306 31.307 1.999 1
1 192 . 14 1 1 A 24 24 GLN N N 24 116.538 119.268 -2.730 1
1 194 . 14 1 1 A 25 25 THR HA H 25 3.308 3.805 -0.497 1
1 199 . 14 1 1 A 25 25 THR CA C 25 65.410 65.957 -0.547 1
1 200 . 14 1 1 A 25 25 THR CB C 25 67.602 68.487 -0.885 1
1 202 . 14 1 1 A 26 26 SER HA H 26 4.118 4.046 0.072 1
1 205 . 14 1 1 A 26 26 SER C C 26 177.127 177.343 -0.216 1
1 206 . 14 1 1 A 26 26 SER CA C 26 60.803 61.305 -0.502 1
1 207 . 14 1 1 A 26 26 SER CB C 26 61.469 63.006 -1.537 1
1 208 . 14 1 1 A 27 27 LYS H H 27 6.629 7.765 -1.136 1
1 209 . 14 1 1 A 27 27 LYS HA H 27 3.994 4.040 -0.046 1
1 218 . 14 1 1 A 27 27 LYS C C 27 178.777 178.913 -0.136 1
1 219 . 14 1 1 A 27 27 LYS CA C 27 58.430 59.454 -1.024 1
1 220 . 14 1 1 A 27 27 LYS CB C 27 32.710 32.669 0.041 1
1 224 . 14 1 1 A 27 27 LYS N N 27 121.916 122.281 -0.365 1
1 225 . 14 1 1 A 28 28 LEU H H 28 7.010 7.621 -0.611 1
1 226 . 14 1 1 A 28 28 LEU HA H 28 3.123 1.875 1.248 1
1 236 . 14 1 1 A 28 28 LEU C C 28 177.314 177.749 -0.435 1
1 237 . 14 1 1 A 28 28 LEU CA C 28 57.755 57.576 0.179 1
1 238 . 14 1 1 A 28 28 LEU CB C 28 40.258 41.610 -1.352 1
1 242 . 14 1 1 A 28 28 LEU N N 28 122.007 121.174 0.833 1
1 243 . 14 1 1 A 29 29 ALA H H 29 8.109 8.080 0.029 1
1 244 . 14 1 1 A 29 29 ALA HA H 29 4.132 3.980 0.152 1
1 248 . 14 1 1 A 29 29 ALA C C 29 180.600 179.209 1.391 1
1 249 . 14 1 1 A 29 29 ALA CA C 29 55.046 55.416 -0.370 1
1 250 . 14 1 1 A 29 29 ALA CB C 29 17.657 18.468 -0.811 1
1 251 . 14 1 1 A 29 29 ALA N N 29 120.851 119.828 1.023 1
1 252 . 14 1 1 A 30 30 ARG H H 30 7.359 7.915 -0.556 1
1 253 . 14 1 1 A 30 30 ARG HA H 30 3.923 3.930 -0.007 1
1 260 . 14 1 1 A 30 30 ARG C C 30 178.903 178.478 0.425 1
1 261 . 14 1 1 A 30 30 ARG CA C 30 58.961 58.542 0.419 1
1 262 . 14 1 1 A 30 30 ARG CB C 30 29.999 29.878 0.121 1
1 265 . 14 1 1 A 30 30 ARG N N 30 116.625 118.998 -2.373 1
1 266 . 14 1 1 A 31 31 HIS H H 31 7.521 8.278 -0.757 1
1 267 . 14 1 1 A 31 31 HIS HA H 31 4.176 4.209 -0.033 1
1 272 . 14 1 1 A 31 31 HIS C C 31 176.189 177.231 -1.042 1
1 273 . 14 1 1 A 31 31 HIS CA C 31 59.062 59.256 -0.194 1
1 274 . 14 1 1 A 31 31 HIS CB C 31 28.455 30.135 -1.680 1
1 277 . 14 1 1 A 31 31 HIS N N 31 119.368 119.426 -0.058 1
1 278 . 14 1 1 A 32 32 GLN H H 32 8.334 8.623 -0.289 1
1 279 . 14 1 1 A 32 32 GLN HA H 32 3.658 3.996 -0.338 1
1 286 . 14 1 1 A 32 32 GLN C C 32 177.410 178.522 -1.112 1
1 287 . 14 1 1 A 32 32 GLN CA C 32 59.343 59.096 0.247 1
1 288 . 14 1 1 A 32 32 GLN CB C 32 28.331 28.125 0.206 1
1 290 . 14 1 1 A 32 32 GLN N N 32 115.359 118.505 -3.146 1
1 292 . 14 1 1 A 33 33 ARG H H 33 7.077 7.668 -0.591 1
1 293 . 14 1 1 A 33 33 ARG HA H 33 4.108 4.056 0.052 1
1 300 . 14 1 1 A 33 33 ARG C C 33 178.553 178.064 0.489 1
1 301 . 14 1 1 A 33 33 ARG CA C 33 58.250 58.421 -0.171 1
1 302 . 14 1 1 A 33 33 ARG CB C 33 29.969 30.152 -0.183 1
1 305 . 14 1 1 A 33 33 ARG N N 33 117.106 119.111 -2.005 1
1 306 . 14 1 1 A 34 34 ILE H H 34 7.777 8.041 -0.264 1
1 307 . 14 1 1 A 34 34 ILE HA H 34 3.940 3.963 -0.023 1
1 317 . 14 1 1 A 34 34 ILE C C 34 177.451 176.308 1.143 1
1 318 . 14 1 1 A 34 34 ILE CA C 34 63.117 62.037 1.080 1
1 319 . 14 1 1 A 34 34 ILE CB C 34 37.637 37.233 0.404 1
1 323 . 14 1 1 A 34 34 ILE N N 34 116.459 114.467 1.992 1
1 324 . 14 1 1 A 35 35 HIS H H 35 7.182 8.259 -1.077 1
1 325 . 14 1 1 A 35 35 HIS HA H 35 4.828 4.523 0.305 1
1 330 . 14 1 1 A 35 35 HIS C C 35 175.851 177.116 -1.265 1
1 331 . 14 1 1 A 35 35 HIS CA C 35 55.280 57.653 -2.373 1
1 332 . 14 1 1 A 35 35 HIS CB C 35 28.512 31.045 -2.533 1
1 335 . 14 1 1 A 35 35 HIS N N 35 117.602 119.761 -2.159 1
1 336 . 14 1 1 A 36 36 THR H H 36 7.747 7.432 0.315 1
1 337 . 14 1 1 A 36 36 THR HA H 36 4.331 4.211 0.120 1
1 342 . 14 1 1 A 36 36 THR C C 36 175.469 174.648 0.821 1
1 343 . 14 1 1 A 36 36 THR CA C 36 62.467 64.342 -1.875 1
1 344 . 14 1 1 A 36 36 THR CB C 36 69.824 69.576 0.248 1
1 346 . 14 1 1 A 36 36 THR N N 36 111.513 113.309 -1.796 1
1 347 . 14 1 1 A 37 37 GLY H H 37 8.182 8.037 0.145 1
1 348 . 14 1 1 A 37 37 GLY HA2 H 37 4.013 3.898 0.115 1
1 349 . 14 1 1 A 37 37 GLY HA3 H 37 3.918 3.912 0.006 1
1 350 . 14 1 1 A 37 37 GLY C C 37 174.052 175.061 -1.009 1
1 351 . 14 1 1 A 37 37 GLY CA C 37 45.367 46.964 -1.597 1
1 352 . 14 1 1 A 37 37 GLY N N 37 110.535 109.742 0.793 1
1 353 . 14 1 1 A 38 38 GLU H H 38 8.052 8.372 -0.320 1
1 354 . 14 1 1 A 38 38 GLU HA H 38 4.218 4.610 -0.392 1
1 359 . 14 1 1 A 38 38 GLU CA C 38 56.434 57.479 -1.045 1
1 360 . 14 1 1 A 38 38 GLU CB C 38 30.328 31.890 -1.562 1
1 362 . 14 1 1 A 38 38 GLU N N 38 120.571 121.458 -0.887 1
1 363 . 14 1 1 A 39 39 LYS H H 39 8.389 7.646 0.743 1
1 364 . 14 1 1 A 39 39 LYS HA H 39 4.578 4.783 -0.205 1
1 373 . 14 1 1 A 39 39 LYS C C 39 173.753 175.773 -2.020 1
1 374 . 14 1 1 A 39 39 LYS CA C 39 54.091 54.044 0.047 1
1 375 . 14 1 1 A 39 39 LYS CB C 39 32.446 34.351 -1.905 1
1 379 . 14 1 1 A 39 39 LYS N N 39 123.889 115.050 8.839 1
1 380 . 14 1 1 A 40 40 PRO HA H 40 4.438 4.430 0.008 1
1 387 . 14 1 1 A 40 40 PRO CA C 40 63.206 64.612 -1.406 1
1 388 . 14 1 1 A 40 40 PRO CB C 40 32.136 31.883 0.253 1
1 391 . 14 1 1 A 41 41 SER H H 41 8.460 7.573 0.887 1
1 392 . 14 1 1 A 41 41 SER N N 41 116.511 113.445 3.066 1
1 393 . 14 1 1 A 42 42 GLY HA2 H 42 4.109 4.163 -0.054 1
1 394 . 14 1 1 A 42 42 GLY HA3 H 42 4.109 4.168 -0.059 1
1 395 . 14 1 1 A 42 42 GLY CA C 42 44.689 45.387 -0.698 1
1 396 . 14 1 1 A 43 43 PRO HA H 43 4.440 4.309 0.131 1
1 403 . 14 1 1 A 43 43 PRO CA C 43 63.206 63.468 -0.262 1
1 404 . 14 1 1 A 43 43 PRO CB C 43 32.100 31.451 0.649 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.489 5.081 -0.592 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 3.885 4.151 -0.266 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.012 4.153 -0.141 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.367 45.067 0.300 1
1 5 . 15 1 1 A 8 8 THR HA H 8 4.329 5.235 -0.906 1
1 10 . 15 1 1 A 8 8 THR CA C 8 62.105 59.588 2.517 1
1 11 . 15 1 1 A 8 8 THR CB C 8 69.768 71.409 -1.641 1
1 13 . 15 1 1 A 9 9 GLY HA2 H 9 3.880 4.139 -0.259 1
1 14 . 15 1 1 A 9 9 GLY HA3 H 9 3.926 4.139 -0.213 1
1 15 . 15 1 1 A 9 9 GLY CA C 9 45.213 45.128 0.085 1
1 16 . 15 1 1 A 10 10 GLU H H 10 8.181 8.494 -0.313 1
1 17 . 15 1 1 A 10 10 GLU HA H 10 4.130 4.479 -0.349 1
1 22 . 15 1 1 A 10 10 GLU CA C 10 56.831 56.538 0.293 1
1 23 . 15 1 1 A 10 10 GLU CB C 10 30.246 30.130 0.116 1
1 25 . 15 1 1 A 10 10 GLU N N 10 120.199 120.491 -0.292 1
1 26 . 15 1 1 A 11 11 LYS H H 11 8.309 8.557 -0.248 1
1 27 . 15 1 1 A 11 11 LYS HA H 11 4.352 4.832 -0.480 1
1 36 . 15 1 1 A 11 11 LYS C C 11 174.507 176.709 -2.202 1
1 37 . 15 1 1 A 11 11 LYS CA C 11 53.748 54.267 -0.519 1
1 38 . 15 1 1 A 11 11 LYS CB C 11 33.171 32.317 0.854 1
1 42 . 15 1 1 A 11 11 LYS N N 11 121.525 121.134 0.391 1
1 43 . 15 1 1 A 12 12 PRO HA H 12 4.174 4.579 -0.405 1
1 50 . 15 1 1 A 12 12 PRO C C 12 176.557 176.145 0.412 1
1 51 . 15 1 1 A 12 12 PRO CA C 12 63.551 64.517 -0.966 1
1 52 . 15 1 1 A 12 12 PRO CB C 12 32.242 31.733 0.509 1
1 55 . 15 1 1 A 13 13 TYR H H 13 7.676 8.230 -0.554 1
1 56 . 15 1 1 A 13 13 TYR HA H 13 4.750 4.705 0.045 1
1 63 . 15 1 1 A 13 13 TYR C C 13 174.491 174.824 -0.333 1
1 64 . 15 1 1 A 13 13 TYR CA C 13 56.955 57.046 -0.091 1
1 65 . 15 1 1 A 13 13 TYR CB C 13 37.991 36.697 1.294 1
1 70 . 15 1 1 A 13 13 TYR N N 13 118.317 118.606 -0.289 1
1 71 . 15 1 1 A 14 14 LYS H H 14 8.550 7.807 0.743 1
1 72 . 15 1 1 A 14 14 LYS HA H 14 4.909 5.664 -0.755 1
1 81 . 15 1 1 A 14 14 LYS C C 14 175.291 175.594 -0.303 1
1 82 . 15 1 1 A 14 14 LYS CA C 14 55.212 54.955 0.257 1
1 83 . 15 1 1 A 14 14 LYS CB C 14 35.202 34.766 0.436 1
1 87 . 15 1 1 A 14 14 LYS N N 14 124.883 121.133 3.750 1
1 88 . 15 1 1 A 15 15 CYS H H 15 9.179 9.196 -0.017 1
1 89 . 15 1 1 A 15 15 CYS HA H 15 4.479 4.529 -0.050 1
1 92 . 15 1 1 A 15 15 CYS C C 15 177.105 176.073 1.032 1
1 93 . 15 1 1 A 15 15 CYS CA C 15 59.396 59.946 -0.550 1
1 94 . 15 1 1 A 15 15 CYS CB C 15 29.557 28.657 0.900 1
1 95 . 15 1 1 A 15 15 CYS N N 15 126.023 121.685 4.338 1
1 96 . 15 1 1 A 16 16 ASN H H 16 9.374 8.884 0.490 1
1 97 . 15 1 1 A 16 16 ASN HA H 16 4.495 4.541 -0.046 1
1 102 . 15 1 1 A 16 16 ASN C C 16 175.408 177.709 -2.301 1
1 103 . 15 1 1 A 16 16 ASN CA C 16 55.627 55.777 -0.150 1
1 104 . 15 1 1 A 16 16 ASN CB C 16 38.324 38.025 0.299 1
1 105 . 15 1 1 A 16 16 ASN N N 16 130.192 126.896 3.296 1
1 107 . 15 1 1 A 17 17 GLU H H 17 8.691 8.174 0.517 1
1 108 . 15 1 1 A 17 17 GLU HA H 17 4.198 4.007 0.191 1
1 113 . 15 1 1 A 17 17 GLU C C 17 177.098 178.444 -1.346 1
1 114 . 15 1 1 A 17 17 GLU CA C 17 58.381 58.841 -0.460 1
1 115 . 15 1 1 A 17 17 GLU CB C 17 29.486 29.485 0.001 1
1 117 . 15 1 1 A 17 17 GLU N N 17 120.808 120.045 0.763 1
1 118 . 15 1 1 A 18 18 CYS H H 18 7.886 7.930 -0.044 1
1 119 . 15 1 1 A 18 18 CYS HA H 18 5.146 4.605 0.541 1
1 122 . 15 1 1 A 18 18 CYS C C 18 176.229 175.391 0.838 1
1 123 . 15 1 1 A 18 18 CYS CA C 18 58.295 59.921 -1.626 1
1 124 . 15 1 1 A 18 18 CYS CB C 18 32.487 29.430 3.057 1
1 125 . 15 1 1 A 18 18 CYS N N 18 114.653 114.893 -0.240 1
1 126 . 15 1 1 A 19 19 GLY H H 19 8.142 8.088 0.054 1
1 127 . 15 1 1 A 19 19 GLY HA2 H 19 3.765 4.062 -0.297 1
1 128 . 15 1 1 A 19 19 GLY HA3 H 19 4.228 4.078 0.150 1
1 129 . 15 1 1 A 19 19 GLY C C 19 173.689 174.352 -0.663 1
1 130 . 15 1 1 A 19 19 GLY CA C 19 46.178 45.635 0.543 1
1 131 . 15 1 1 A 19 19 GLY N N 19 113.359 109.840 3.519 1
1 132 . 15 1 1 A 20 20 LYS H H 20 7.980 7.746 0.234 1
1 133 . 15 1 1 A 20 20 LYS HA H 20 3.915 4.483 -0.568 1
1 142 . 15 1 1 A 20 20 LYS C C 20 173.709 175.254 -1.545 1
1 143 . 15 1 1 A 20 20 LYS CA C 20 58.301 54.676 3.625 1
1 144 . 15 1 1 A 20 20 LYS CB C 20 33.533 33.839 -0.306 1
1 148 . 15 1 1 A 20 20 LYS N N 20 123.220 120.845 2.375 1
1 149 . 15 1 1 A 21 21 ALA H H 21 7.773 8.544 -0.771 1
1 150 . 15 1 1 A 21 21 ALA HA H 21 5.085 5.003 0.082 1
1 154 . 15 1 1 A 21 21 ALA C C 21 176.075 176.444 -0.369 1
1 155 . 15 1 1 A 21 21 ALA CA C 21 50.454 51.062 -0.608 1
1 156 . 15 1 1 A 21 21 ALA CB C 21 22.302 20.307 1.995 1
1 157 . 15 1 1 A 21 21 ALA N N 21 124.199 129.038 -4.839 1
1 158 . 15 1 1 A 22 22 PHE H H 22 8.752 8.603 0.149 1
1 159 . 15 1 1 A 22 22 PHE HA H 22 4.758 4.969 -0.211 1
1 167 . 15 1 1 A 22 22 PHE C C 22 175.610 176.150 -0.540 1
1 168 . 15 1 1 A 22 22 PHE CA C 22 57.189 56.276 0.913 1
1 169 . 15 1 1 A 22 22 PHE CB C 22 44.496 42.410 2.086 1
1 175 . 15 1 1 A 22 22 PHE N N 22 116.243 119.955 -3.712 1
1 176 . 15 1 1 A 23 23 SER HA H 23 4.703 4.413 0.290 1
1 179 . 15 1 1 A 23 23 SER CA C 23 59.910 59.746 0.164 1
1 180 . 15 1 1 A 23 23 SER CB C 23 64.442 63.595 0.847 1
1 181 . 15 1 1 A 24 24 GLN H H 24 7.193 7.823 -0.630 1
1 182 . 15 1 1 A 24 24 GLN HA H 24 5.016 4.626 0.390 1
1 189 . 15 1 1 A 24 24 GLN CA C 24 54.212 54.270 -0.058 1
1 190 . 15 1 1 A 24 24 GLN CB C 24 33.306 31.616 1.690 1
1 192 . 15 1 1 A 24 24 GLN N N 24 116.538 119.360 -2.822 1
1 194 . 15 1 1 A 25 25 THR HA H 25 3.308 3.683 -0.375 1
1 199 . 15 1 1 A 25 25 THR CA C 25 65.410 66.238 -0.828 1
1 200 . 15 1 1 A 25 25 THR CB C 25 67.602 68.672 -1.070 1
1 202 . 15 1 1 A 26 26 SER HA H 26 4.118 4.033 0.085 1
1 205 . 15 1 1 A 26 26 SER C C 26 177.127 177.096 0.031 1
1 206 . 15 1 1 A 26 26 SER CA C 26 60.803 61.339 -0.536 1
1 207 . 15 1 1 A 26 26 SER CB C 26 61.469 63.055 -1.586 1
1 208 . 15 1 1 A 27 27 LYS H H 27 6.629 7.881 -1.252 1
1 209 . 15 1 1 A 27 27 LYS HA H 27 3.994 4.065 -0.071 1
1 218 . 15 1 1 A 27 27 LYS C C 27 178.777 178.415 0.362 1
1 219 . 15 1 1 A 27 27 LYS CA C 27 58.430 59.325 -0.895 1
1 220 . 15 1 1 A 27 27 LYS CB C 27 32.710 32.425 0.285 1
1 224 . 15 1 1 A 27 27 LYS N N 27 121.916 121.626 0.290 1
1 225 . 15 1 1 A 28 28 LEU H H 28 7.010 7.723 -0.713 1
1 226 . 15 1 1 A 28 28 LEU HA H 28 3.123 1.701 1.422 1
1 236 . 15 1 1 A 28 28 LEU C C 28 177.314 177.632 -0.318 1
1 237 . 15 1 1 A 28 28 LEU CA C 28 57.755 57.397 0.358 1
1 238 . 15 1 1 A 28 28 LEU CB C 28 40.258 41.113 -0.855 1
1 242 . 15 1 1 A 28 28 LEU N N 28 122.007 121.363 0.644 1
1 243 . 15 1 1 A 29 29 ALA H H 29 8.109 8.195 -0.086 1
1 244 . 15 1 1 A 29 29 ALA HA H 29 4.132 4.059 0.073 1
1 248 . 15 1 1 A 29 29 ALA C C 29 180.600 179.348 1.252 1
1 249 . 15 1 1 A 29 29 ALA CA C 29 55.046 55.522 -0.476 1
1 250 . 15 1 1 A 29 29 ALA CB C 29 17.657 18.332 -0.675 1
1 251 . 15 1 1 A 29 29 ALA N N 29 120.851 120.705 0.146 1
1 252 . 15 1 1 A 30 30 ARG H H 30 7.359 7.949 -0.590 1
1 253 . 15 1 1 A 30 30 ARG HA H 30 3.923 4.052 -0.129 1
1 260 . 15 1 1 A 30 30 ARG C C 30 178.903 178.507 0.396 1
1 261 . 15 1 1 A 30 30 ARG CA C 30 58.961 58.603 0.358 1
1 262 . 15 1 1 A 30 30 ARG CB C 30 29.999 29.911 0.088 1
1 265 . 15 1 1 A 30 30 ARG N N 30 116.625 118.600 -1.975 1
1 266 . 15 1 1 A 31 31 HIS H H 31 7.521 7.959 -0.438 1
1 267 . 15 1 1 A 31 31 HIS HA H 31 4.176 4.233 -0.057 1
1 272 . 15 1 1 A 31 31 HIS C C 31 176.189 177.273 -1.084 1
1 273 . 15 1 1 A 31 31 HIS CA C 31 59.062 59.274 -0.212 1
1 274 . 15 1 1 A 31 31 HIS CB C 31 28.455 30.257 -1.802 1
1 277 . 15 1 1 A 31 31 HIS N N 31 119.368 119.288 0.080 1
1 278 . 15 1 1 A 32 32 GLN H H 32 8.334 8.729 -0.395 1
1 279 . 15 1 1 A 32 32 GLN HA H 32 3.658 3.993 -0.335 1
1 286 . 15 1 1 A 32 32 GLN C C 32 177.410 178.496 -1.086 1
1 287 . 15 1 1 A 32 32 GLN CA C 32 59.343 59.122 0.221 1
1 288 . 15 1 1 A 32 32 GLN CB C 32 28.331 28.180 0.151 1
1 290 . 15 1 1 A 32 32 GLN N N 32 115.359 118.308 -2.949 1
1 292 . 15 1 1 A 33 33 ARG H H 33 7.077 7.748 -0.671 1
1 293 . 15 1 1 A 33 33 ARG HA H 33 4.108 4.057 0.051 1
1 300 . 15 1 1 A 33 33 ARG C C 33 178.553 178.174 0.379 1
1 301 . 15 1 1 A 33 33 ARG CA C 33 58.250 58.391 -0.141 1
1 302 . 15 1 1 A 33 33 ARG CB C 33 29.969 30.144 -0.175 1
1 305 . 15 1 1 A 33 33 ARG N N 33 117.106 119.101 -1.995 1
1 306 . 15 1 1 A 34 34 ILE H H 34 7.777 7.842 -0.065 1
1 307 . 15 1 1 A 34 34 ILE HA H 34 3.940 3.940 0.000 1
1 317 . 15 1 1 A 34 34 ILE C C 34 177.451 177.045 0.406 1
1 318 . 15 1 1 A 34 34 ILE CA C 34 63.117 62.666 0.451 1
1 319 . 15 1 1 A 34 34 ILE CB C 34 37.637 37.491 0.146 1
1 323 . 15 1 1 A 34 34 ILE N N 34 116.459 114.646 1.813 1
1 324 . 15 1 1 A 35 35 HIS H H 35 7.182 8.118 -0.936 1
1 325 . 15 1 1 A 35 35 HIS HA H 35 4.828 4.436 0.392 1
1 330 . 15 1 1 A 35 35 HIS C C 35 175.851 177.583 -1.732 1
1 331 . 15 1 1 A 35 35 HIS CA C 35 55.280 58.801 -3.521 1
1 332 . 15 1 1 A 35 35 HIS CB C 35 28.512 30.425 -1.913 1
1 335 . 15 1 1 A 35 35 HIS N N 35 117.602 120.101 -2.499 1
1 336 . 15 1 1 A 36 36 THR H H 36 7.747 7.465 0.282 1
1 337 . 15 1 1 A 36 36 THR HA H 36 4.331 4.142 0.189 1
1 342 . 15 1 1 A 36 36 THR C C 36 175.469 174.707 0.762 1
1 343 . 15 1 1 A 36 36 THR CA C 36 62.467 64.808 -2.341 1
1 344 . 15 1 1 A 36 36 THR CB C 36 69.824 70.123 -0.299 1
1 346 . 15 1 1 A 36 36 THR N N 36 111.513 113.824 -2.311 1
1 347 . 15 1 1 A 37 37 GLY H H 37 8.182 7.173 1.009 1
1 348 . 15 1 1 A 37 37 GLY HA2 H 37 4.013 4.030 -0.017 1
1 349 . 15 1 1 A 37 37 GLY HA3 H 37 3.918 4.032 -0.114 1
1 350 . 15 1 1 A 37 37 GLY C C 37 174.052 174.445 -0.393 1
1 351 . 15 1 1 A 37 37 GLY CA C 37 45.367 45.455 -0.088 1
1 352 . 15 1 1 A 37 37 GLY N N 37 110.535 108.862 1.673 1
1 353 . 15 1 1 A 38 38 GLU H H 38 8.052 7.979 0.073 1
1 354 . 15 1 1 A 38 38 GLU HA H 38 4.218 4.661 -0.443 1
1 359 . 15 1 1 A 38 38 GLU CA C 38 56.434 55.800 0.634 1
1 360 . 15 1 1 A 38 38 GLU CB C 38 30.328 31.367 -1.039 1
1 362 . 15 1 1 A 38 38 GLU N N 38 120.571 119.481 1.090 1
1 363 . 15 1 1 A 39 39 LYS H H 39 8.389 8.945 -0.556 1
1 364 . 15 1 1 A 39 39 LYS HA H 39 4.578 4.763 -0.185 1
1 373 . 15 1 1 A 39 39 LYS C C 39 173.753 175.802 -2.049 1
1 374 . 15 1 1 A 39 39 LYS CA C 39 54.091 53.661 0.430 1
1 375 . 15 1 1 A 39 39 LYS CB C 39 32.446 35.355 -2.909 1
1 379 . 15 1 1 A 39 39 LYS N N 39 123.889 118.649 5.240 1
1 380 . 15 1 1 A 40 40 PRO HA H 40 4.438 4.529 -0.091 1
1 387 . 15 1 1 A 40 40 PRO CA C 40 63.206 63.487 -0.281 1
1 388 . 15 1 1 A 40 40 PRO CB C 40 32.136 32.051 0.085 1
1 391 . 15 1 1 A 41 41 SER H H 41 8.460 8.092 0.368 1
1 392 . 15 1 1 A 41 41 SER N N 41 116.511 114.383 2.128 1
1 393 . 15 1 1 A 42 42 GLY HA2 H 42 4.109 4.245 -0.136 1
1 394 . 15 1 1 A 42 42 GLY HA3 H 42 4.109 4.246 -0.137 1
1 395 . 15 1 1 A 42 42 GLY CA C 42 44.689 44.074 0.615 1
1 396 . 15 1 1 A 43 43 PRO HA H 43 4.440 4.623 -0.183 1
1 403 . 15 1 1 A 43 43 PRO CA C 43 63.206 62.718 0.488 1
1 404 . 15 1 1 A 43 43 PRO CB C 43 32.100 32.371 -0.271 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.489 4.985 -0.496 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 3.885 3.944 -0.059 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.012 3.949 0.063 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.367 46.399 -1.032 1
1 5 . 16 1 1 A 8 8 THR HA H 8 4.329 5.167 -0.838 1
1 10 . 16 1 1 A 8 8 THR CA C 8 62.105 60.216 1.889 1
1 11 . 16 1 1 A 8 8 THR CB C 8 69.768 71.042 -1.274 1
1 13 . 16 1 1 A 9 9 GLY HA2 H 9 3.880 4.147 -0.267 1
1 14 . 16 1 1 A 9 9 GLY HA3 H 9 3.926 4.149 -0.223 1
1 15 . 16 1 1 A 9 9 GLY CA C 9 45.213 44.627 0.586 1
1 16 . 16 1 1 A 10 10 GLU H H 10 8.181 8.483 -0.302 1
1 17 . 16 1 1 A 10 10 GLU HA H 10 4.130 4.772 -0.642 1
1 22 . 16 1 1 A 10 10 GLU CA C 10 56.831 55.630 1.201 1
1 23 . 16 1 1 A 10 10 GLU CB C 10 30.246 30.254 -0.008 1
1 25 . 16 1 1 A 10 10 GLU N N 10 120.199 121.048 -0.849 1
1 26 . 16 1 1 A 11 11 LYS H H 11 8.309 8.466 -0.157 1
1 27 . 16 1 1 A 11 11 LYS HA H 11 4.352 4.793 -0.441 1
1 36 . 16 1 1 A 11 11 LYS C C 11 174.507 176.843 -2.336 1
1 37 . 16 1 1 A 11 11 LYS CA C 11 53.748 54.782 -1.034 1
1 38 . 16 1 1 A 11 11 LYS CB C 11 33.171 32.170 1.001 1
1 42 . 16 1 1 A 11 11 LYS N N 11 121.525 121.641 -0.116 1
1 43 . 16 1 1 A 12 12 PRO HA H 12 4.174 4.539 -0.365 1
1 50 . 16 1 1 A 12 12 PRO C C 12 176.557 176.611 -0.054 1
1 51 . 16 1 1 A 12 12 PRO CA C 12 63.551 64.637 -1.086 1
1 52 . 16 1 1 A 12 12 PRO CB C 12 32.242 31.794 0.448 1
1 55 . 16 1 1 A 13 13 TYR H H 13 7.676 8.191 -0.515 1
1 56 . 16 1 1 A 13 13 TYR HA H 13 4.750 4.787 -0.037 1
1 63 . 16 1 1 A 13 13 TYR C C 13 174.491 175.275 -0.784 1
1 64 . 16 1 1 A 13 13 TYR CA C 13 56.955 57.399 -0.444 1
1 65 . 16 1 1 A 13 13 TYR CB C 13 37.991 37.526 0.465 1
1 70 . 16 1 1 A 13 13 TYR N N 13 118.317 117.420 0.897 1
1 71 . 16 1 1 A 14 14 LYS H H 14 8.550 7.471 1.079 1
1 72 . 16 1 1 A 14 14 LYS HA H 14 4.909 4.872 0.037 1
1 81 . 16 1 1 A 14 14 LYS C C 14 175.291 176.349 -1.058 1
1 82 . 16 1 1 A 14 14 LYS CA C 14 55.212 56.676 -1.464 1
1 83 . 16 1 1 A 14 14 LYS CB C 14 35.202 33.017 2.185 1
1 87 . 16 1 1 A 14 14 LYS N N 14 124.883 118.652 6.231 1
1 88 . 16 1 1 A 15 15 CYS H H 15 9.179 8.812 0.367 1
1 89 . 16 1 1 A 15 15 CYS HA H 15 4.479 4.575 -0.096 1
1 92 . 16 1 1 A 15 15 CYS C C 15 177.105 176.560 0.545 1
1 93 . 16 1 1 A 15 15 CYS CA C 15 59.396 59.997 -0.601 1
1 94 . 16 1 1 A 15 15 CYS CB C 15 29.557 28.948 0.609 1
1 95 . 16 1 1 A 15 15 CYS N N 15 126.023 121.234 4.789 1
1 96 . 16 1 1 A 16 16 ASN H H 16 9.374 9.401 -0.027 1
1 97 . 16 1 1 A 16 16 ASN HA H 16 4.495 4.694 -0.199 1
1 102 . 16 1 1 A 16 16 ASN C C 16 175.408 176.587 -1.179 1
1 103 . 16 1 1 A 16 16 ASN CA C 16 55.627 54.693 0.934 1
1 104 . 16 1 1 A 16 16 ASN CB C 16 38.324 38.518 -0.194 1
1 105 . 16 1 1 A 16 16 ASN N N 16 130.192 127.987 2.205 1
1 107 . 16 1 1 A 17 17 GLU H H 17 8.691 7.909 0.782 1
1 108 . 16 1 1 A 17 17 GLU HA H 17 4.198 4.127 0.071 1
1 113 . 16 1 1 A 17 17 GLU C C 17 177.098 178.327 -1.229 1
1 114 . 16 1 1 A 17 17 GLU CA C 17 58.381 58.719 -0.338 1
1 115 . 16 1 1 A 17 17 GLU CB C 17 29.486 29.850 -0.364 1
1 117 . 16 1 1 A 17 17 GLU N N 17 120.808 118.089 2.719 1
1 118 . 16 1 1 A 18 18 CYS H H 18 7.886 7.878 0.008 1
1 119 . 16 1 1 A 18 18 CYS HA H 18 5.146 4.539 0.607 1
1 122 . 16 1 1 A 18 18 CYS C C 18 176.229 175.384 0.845 1
1 123 . 16 1 1 A 18 18 CYS CA C 18 58.295 59.916 -1.621 1
1 124 . 16 1 1 A 18 18 CYS CB C 18 32.487 29.245 3.242 1
1 125 . 16 1 1 A 18 18 CYS N N 18 114.653 114.782 -0.129 1
1 126 . 16 1 1 A 19 19 GLY H H 19 8.142 8.187 -0.045 1
1 127 . 16 1 1 A 19 19 GLY HA2 H 19 3.765 4.044 -0.279 1
1 128 . 16 1 1 A 19 19 GLY HA3 H 19 4.228 4.057 0.171 1
1 129 . 16 1 1 A 19 19 GLY C C 19 173.689 174.324 -0.635 1
1 130 . 16 1 1 A 19 19 GLY CA C 19 46.178 45.522 0.656 1
1 131 . 16 1 1 A 19 19 GLY N N 19 113.359 109.844 3.515 1
1 132 . 16 1 1 A 20 20 LYS H H 20 7.980 7.779 0.201 1
1 133 . 16 1 1 A 20 20 LYS HA H 20 3.915 4.441 -0.526 1
1 142 . 16 1 1 A 20 20 LYS C C 20 173.709 175.089 -1.380 1
1 143 . 16 1 1 A 20 20 LYS CA C 20 58.301 54.668 3.633 1
1 144 . 16 1 1 A 20 20 LYS CB C 20 33.533 33.472 0.061 1
1 148 . 16 1 1 A 20 20 LYS N N 20 123.220 121.132 2.088 1
1 149 . 16 1 1 A 21 21 ALA H H 21 7.773 8.581 -0.808 1
1 150 . 16 1 1 A 21 21 ALA HA H 21 5.085 4.815 0.270 1
1 154 . 16 1 1 A 21 21 ALA C C 21 176.075 176.746 -0.671 1
1 155 . 16 1 1 A 21 21 ALA CA C 21 50.454 50.344 0.110 1
1 156 . 16 1 1 A 21 21 ALA CB C 21 22.302 20.119 2.183 1
1 157 . 16 1 1 A 21 21 ALA N N 21 124.199 128.702 -4.503 1
1 158 . 16 1 1 A 22 22 PHE H H 22 8.752 9.004 -0.252 1
1 159 . 16 1 1 A 22 22 PHE HA H 22 4.758 4.930 -0.172 1
1 167 . 16 1 1 A 22 22 PHE C C 22 175.610 176.279 -0.669 1
1 168 . 16 1 1 A 22 22 PHE CA C 22 57.189 57.046 0.143 1
1 169 . 16 1 1 A 22 22 PHE CB C 22 44.496 41.695 2.801 1
1 175 . 16 1 1 A 22 22 PHE N N 22 116.243 121.763 -5.520 1
1 176 . 16 1 1 A 23 23 SER HA H 23 4.703 4.495 0.208 1
1 179 . 16 1 1 A 23 23 SER CA C 23 59.910 61.087 -1.177 1
1 180 . 16 1 1 A 23 23 SER CB C 23 64.442 62.973 1.469 1
1 181 . 16 1 1 A 24 24 GLN H H 24 7.193 7.890 -0.697 1
1 182 . 16 1 1 A 24 24 GLN HA H 24 5.016 4.542 0.474 1
1 189 . 16 1 1 A 24 24 GLN CA C 24 54.212 53.761 0.451 1
1 190 . 16 1 1 A 24 24 GLN CB C 24 33.306 30.899 2.407 1
1 192 . 16 1 1 A 24 24 GLN N N 24 116.538 119.244 -2.706 1
1 194 . 16 1 1 A 25 25 THR HA H 25 3.308 3.741 -0.433 1
1 199 . 16 1 1 A 25 25 THR CA C 25 65.410 66.206 -0.796 1
1 200 . 16 1 1 A 25 25 THR CB C 25 67.602 68.796 -1.194 1
1 202 . 16 1 1 A 26 26 SER HA H 26 4.118 4.186 -0.068 1
1 205 . 16 1 1 A 26 26 SER C C 26 177.127 177.208 -0.081 1
1 206 . 16 1 1 A 26 26 SER CA C 26 60.803 61.712 -0.909 1
1 207 . 16 1 1 A 26 26 SER CB C 26 61.469 62.494 -1.025 1
1 208 . 16 1 1 A 27 27 LYS H H 27 6.629 7.895 -1.266 1
1 209 . 16 1 1 A 27 27 LYS HA H 27 3.994 4.008 -0.014 1
1 218 . 16 1 1 A 27 27 LYS C C 27 178.777 178.757 0.020 1
1 219 . 16 1 1 A 27 27 LYS CA C 27 58.430 59.404 -0.974 1
1 220 . 16 1 1 A 27 27 LYS CB C 27 32.710 32.622 0.088 1
1 224 . 16 1 1 A 27 27 LYS N N 27 121.916 121.757 0.159 1
1 225 . 16 1 1 A 28 28 LEU H H 28 7.010 7.778 -0.768 1
1 226 . 16 1 1 A 28 28 LEU HA H 28 3.123 1.986 1.137 1
1 236 . 16 1 1 A 28 28 LEU C C 28 177.314 177.734 -0.420 1
1 237 . 16 1 1 A 28 28 LEU CA C 28 57.755 57.576 0.179 1
1 238 . 16 1 1 A 28 28 LEU CB C 28 40.258 41.627 -1.369 1
1 242 . 16 1 1 A 28 28 LEU N N 28 122.007 121.179 0.828 1
1 243 . 16 1 1 A 29 29 ALA H H 29 8.109 8.096 0.013 1
1 244 . 16 1 1 A 29 29 ALA HA H 29 4.132 4.060 0.072 1
1 248 . 16 1 1 A 29 29 ALA C C 29 180.600 179.290 1.310 1
1 249 . 16 1 1 A 29 29 ALA CA C 29 55.046 55.419 -0.373 1
1 250 . 16 1 1 A 29 29 ALA CB C 29 17.657 18.487 -0.830 1
1 251 . 16 1 1 A 29 29 ALA N N 29 120.851 120.228 0.623 1
1 252 . 16 1 1 A 30 30 ARG H H 30 7.359 8.189 -0.830 1
1 253 . 16 1 1 A 30 30 ARG HA H 30 3.923 3.944 -0.021 1
1 260 . 16 1 1 A 30 30 ARG C C 30 178.903 178.435 0.468 1
1 261 . 16 1 1 A 30 30 ARG CA C 30 58.961 58.500 0.461 1
1 262 . 16 1 1 A 30 30 ARG CB C 30 29.999 29.949 0.050 1
1 265 . 16 1 1 A 30 30 ARG N N 30 116.625 118.594 -1.969 1
1 266 . 16 1 1 A 31 31 HIS H H 31 7.521 7.944 -0.423 1
1 267 . 16 1 1 A 31 31 HIS HA H 31 4.176 4.229 -0.053 1
1 272 . 16 1 1 A 31 31 HIS C C 31 176.189 177.338 -1.149 1
1 273 . 16 1 1 A 31 31 HIS CA C 31 59.062 59.171 -0.109 1
1 274 . 16 1 1 A 31 31 HIS CB C 31 28.455 30.209 -1.754 1
1 277 . 16 1 1 A 31 31 HIS N N 31 119.368 119.269 0.099 1
1 278 . 16 1 1 A 32 32 GLN H H 32 8.334 8.800 -0.466 1
1 279 . 16 1 1 A 32 32 GLN HA H 32 3.658 4.024 -0.366 1
1 286 . 16 1 1 A 32 32 GLN C C 32 177.410 178.269 -0.859 1
1 287 . 16 1 1 A 32 32 GLN CA C 32 59.343 59.109 0.234 1
1 288 . 16 1 1 A 32 32 GLN CB C 32 28.331 28.231 0.100 1
1 290 . 16 1 1 A 32 32 GLN N N 32 115.359 118.137 -2.778 1
1 292 . 16 1 1 A 33 33 ARG H H 33 7.077 7.707 -0.630 1
1 293 . 16 1 1 A 33 33 ARG HA H 33 4.108 4.061 0.047 1
1 300 . 16 1 1 A 33 33 ARG C C 33 178.553 177.874 0.679 1
1 301 . 16 1 1 A 33 33 ARG CA C 33 58.250 58.223 0.027 1
1 302 . 16 1 1 A 33 33 ARG CB C 33 29.969 30.061 -0.092 1
1 305 . 16 1 1 A 33 33 ARG N N 33 117.106 118.544 -1.438 1
1 306 . 16 1 1 A 34 34 ILE H H 34 7.777 7.995 -0.218 1
1 307 . 16 1 1 A 34 34 ILE HA H 34 3.940 4.044 -0.104 1
1 317 . 16 1 1 A 34 34 ILE C C 34 177.451 176.398 1.053 1
1 318 . 16 1 1 A 34 34 ILE CA C 34 63.117 61.868 1.249 1
1 319 . 16 1 1 A 34 34 ILE CB C 34 37.637 37.567 0.070 1
1 323 . 16 1 1 A 34 34 ILE N N 34 116.459 114.212 2.247 1
1 324 . 16 1 1 A 35 35 HIS H H 35 7.182 8.299 -1.117 1
1 325 . 16 1 1 A 35 35 HIS HA H 35 4.828 4.537 0.291 1
1 330 . 16 1 1 A 35 35 HIS C C 35 175.851 176.894 -1.043 1
1 331 . 16 1 1 A 35 35 HIS CA C 35 55.280 57.867 -2.587 1
1 332 . 16 1 1 A 35 35 HIS CB C 35 28.512 31.308 -2.796 1
1 335 . 16 1 1 A 35 35 HIS N N 35 117.602 119.778 -2.176 1
1 336 . 16 1 1 A 36 36 THR H H 36 7.747 7.834 -0.087 1
1 337 . 16 1 1 A 36 36 THR HA H 36 4.331 4.258 0.073 1
1 342 . 16 1 1 A 36 36 THR C C 36 175.469 174.779 0.690 1
1 343 . 16 1 1 A 36 36 THR CA C 36 62.467 63.391 -0.924 1
1 344 . 16 1 1 A 36 36 THR CB C 36 69.824 69.501 0.323 1
1 346 . 16 1 1 A 36 36 THR N N 36 111.513 112.183 -0.670 1
1 347 . 16 1 1 A 37 37 GLY H H 37 8.182 8.183 -0.001 1
1 348 . 16 1 1 A 37 37 GLY HA2 H 37 4.013 3.943 0.070 1
1 349 . 16 1 1 A 37 37 GLY HA3 H 37 3.918 3.952 -0.034 1
1 350 . 16 1 1 A 37 37 GLY C C 37 174.052 174.113 -0.061 1
1 351 . 16 1 1 A 37 37 GLY CA C 37 45.367 45.020 0.347 1
1 352 . 16 1 1 A 37 37 GLY N N 37 110.535 109.759 0.776 1
1 353 . 16 1 1 A 38 38 GLU H H 38 8.052 7.980 0.072 1
1 354 . 16 1 1 A 38 38 GLU HA H 38 4.218 4.518 -0.300 1
1 359 . 16 1 1 A 38 38 GLU CA C 38 56.434 56.069 0.365 1
1 360 . 16 1 1 A 38 38 GLU CB C 38 30.328 30.643 -0.315 1
1 362 . 16 1 1 A 38 38 GLU N N 38 120.571 121.835 -1.264 1
1 363 . 16 1 1 A 39 39 LYS H H 39 8.389 8.636 -0.247 1
1 364 . 16 1 1 A 39 39 LYS HA H 39 4.578 4.832 -0.254 1
1 373 . 16 1 1 A 39 39 LYS C C 39 173.753 176.108 -2.355 1
1 374 . 16 1 1 A 39 39 LYS CA C 39 54.091 53.773 0.318 1
1 375 . 16 1 1 A 39 39 LYS CB C 39 32.446 35.235 -2.789 1
1 379 . 16 1 1 A 39 39 LYS N N 39 123.889 124.345 -0.456 1
1 380 . 16 1 1 A 40 40 PRO HA H 40 4.438 4.377 0.061 1
1 387 . 16 1 1 A 40 40 PRO CA C 40 63.206 65.177 -1.971 1
1 388 . 16 1 1 A 40 40 PRO CB C 40 32.136 32.004 0.132 1
1 391 . 16 1 1 A 41 41 SER H H 41 8.460 8.081 0.379 1
1 392 . 16 1 1 A 41 41 SER N N 41 116.511 109.989 6.522 1
1 393 . 16 1 1 A 42 42 GLY HA2 H 42 4.109 4.008 0.101 1
1 394 . 16 1 1 A 42 42 GLY HA3 H 42 4.109 4.010 0.099 1
1 395 . 16 1 1 A 42 42 GLY CA C 42 44.689 45.276 -0.587 1
1 396 . 16 1 1 A 43 43 PRO HA H 43 4.440 4.626 -0.186 1
1 403 . 16 1 1 A 43 43 PRO CA C 43 63.206 62.662 0.544 1
1 404 . 16 1 1 A 43 43 PRO CB C 43 32.100 32.979 -0.879 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.489 5.096 -0.607 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 3.885 4.054 -0.169 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.012 4.055 -0.043 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.367 43.988 1.379 1
1 5 . 17 1 1 A 8 8 THR HA H 8 4.329 5.225 -0.896 1
1 10 . 17 1 1 A 8 8 THR CA C 8 62.105 59.576 2.529 1
1 11 . 17 1 1 A 8 8 THR CB C 8 69.768 71.693 -1.925 1
1 13 . 17 1 1 A 9 9 GLY HA2 H 9 3.880 4.185 -0.305 1
1 14 . 17 1 1 A 9 9 GLY HA3 H 9 3.926 4.185 -0.259 1
1 15 . 17 1 1 A 9 9 GLY CA C 9 45.213 45.871 -0.658 1
1 16 . 17 1 1 A 10 10 GLU H H 10 8.181 8.398 -0.217 1
1 17 . 17 1 1 A 10 10 GLU HA H 10 4.130 5.025 -0.895 1
1 22 . 17 1 1 A 10 10 GLU CA C 10 56.831 55.428 1.403 1
1 23 . 17 1 1 A 10 10 GLU CB C 10 30.246 31.525 -1.279 1
1 25 . 17 1 1 A 10 10 GLU N N 10 120.199 120.551 -0.352 1
1 26 . 17 1 1 A 11 11 LYS H H 11 8.309 8.534 -0.225 1
1 27 . 17 1 1 A 11 11 LYS HA H 11 4.352 4.816 -0.464 1
1 36 . 17 1 1 A 11 11 LYS C C 11 174.507 176.694 -2.187 1
1 37 . 17 1 1 A 11 11 LYS CA C 11 53.748 54.253 -0.505 1
1 38 . 17 1 1 A 11 11 LYS CB C 11 33.171 32.272 0.899 1
1 42 . 17 1 1 A 11 11 LYS N N 11 121.525 121.002 0.523 1
1 43 . 17 1 1 A 12 12 PRO HA H 12 4.174 4.537 -0.363 1
1 50 . 17 1 1 A 12 12 PRO C C 12 176.557 176.727 -0.170 1
1 51 . 17 1 1 A 12 12 PRO CA C 12 63.551 64.662 -1.111 1
1 52 . 17 1 1 A 12 12 PRO CB C 12 32.242 31.793 0.449 1
1 55 . 17 1 1 A 13 13 TYR H H 13 7.676 8.177 -0.501 1
1 56 . 17 1 1 A 13 13 TYR HA H 13 4.750 4.761 -0.011 1
1 63 . 17 1 1 A 13 13 TYR C C 13 174.491 175.271 -0.780 1
1 64 . 17 1 1 A 13 13 TYR CA C 13 56.955 57.569 -0.614 1
1 65 . 17 1 1 A 13 13 TYR CB C 13 37.991 37.683 0.308 1
1 70 . 17 1 1 A 13 13 TYR N N 13 118.317 117.373 0.944 1
1 71 . 17 1 1 A 14 14 LYS H H 14 8.550 7.502 1.048 1
1 72 . 17 1 1 A 14 14 LYS HA H 14 4.909 4.950 -0.041 1
1 81 . 17 1 1 A 14 14 LYS C C 14 175.291 176.246 -0.955 1
1 82 . 17 1 1 A 14 14 LYS CA C 14 55.212 56.569 -1.357 1
1 83 . 17 1 1 A 14 14 LYS CB C 14 35.202 33.249 1.953 1
1 87 . 17 1 1 A 14 14 LYS N N 14 124.883 118.519 6.364 1
1 88 . 17 1 1 A 15 15 CYS H H 15 9.179 9.052 0.127 1
1 89 . 17 1 1 A 15 15 CYS HA H 15 4.479 4.654 -0.175 1
1 92 . 17 1 1 A 15 15 CYS C C 15 177.105 176.060 1.045 1
1 93 . 17 1 1 A 15 15 CYS CA C 15 59.396 59.584 -0.188 1
1 94 . 17 1 1 A 15 15 CYS CB C 15 29.557 28.607 0.950 1
1 95 . 17 1 1 A 15 15 CYS N N 15 126.023 121.729 4.294 1
1 96 . 17 1 1 A 16 16 ASN H H 16 9.374 8.962 0.412 1
1 97 . 17 1 1 A 16 16 ASN HA H 16 4.495 4.509 -0.014 1
1 102 . 17 1 1 A 16 16 ASN C C 16 175.408 177.476 -2.068 1
1 103 . 17 1 1 A 16 16 ASN CA C 16 55.627 56.174 -0.547 1
1 104 . 17 1 1 A 16 16 ASN CB C 16 38.324 38.050 0.274 1
1 105 . 17 1 1 A 16 16 ASN N N 16 130.192 126.721 3.471 1
1 107 . 17 1 1 A 17 17 GLU H H 17 8.691 8.287 0.404 1
1 108 . 17 1 1 A 17 17 GLU HA H 17 4.198 4.037 0.161 1
1 113 . 17 1 1 A 17 17 GLU C C 17 177.098 178.536 -1.438 1
1 114 . 17 1 1 A 17 17 GLU CA C 17 58.381 58.961 -0.580 1
1 115 . 17 1 1 A 17 17 GLU CB C 17 29.486 29.173 0.313 1
1 117 . 17 1 1 A 17 17 GLU N N 17 120.808 120.643 0.165 1
1 118 . 17 1 1 A 18 18 CYS H H 18 7.886 7.915 -0.029 1
1 119 . 17 1 1 A 18 18 CYS HA H 18 5.146 4.611 0.535 1
1 122 . 17 1 1 A 18 18 CYS C C 18 176.229 175.298 0.931 1
1 123 . 17 1 1 A 18 18 CYS CA C 18 58.295 59.893 -1.598 1
1 124 . 17 1 1 A 18 18 CYS CB C 18 32.487 29.481 3.006 1
1 125 . 17 1 1 A 18 18 CYS N N 18 114.653 115.102 -0.449 1
1 126 . 17 1 1 A 19 19 GLY H H 19 8.142 8.090 0.052 1
1 127 . 17 1 1 A 19 19 GLY HA2 H 19 3.765 4.047 -0.282 1
1 128 . 17 1 1 A 19 19 GLY HA3 H 19 4.228 4.062 0.166 1
1 129 . 17 1 1 A 19 19 GLY C C 19 173.689 174.406 -0.717 1
1 130 . 17 1 1 A 19 19 GLY CA C 19 46.178 45.549 0.629 1
1 131 . 17 1 1 A 19 19 GLY N N 19 113.359 109.834 3.525 1
1 132 . 17 1 1 A 20 20 LYS H H 20 7.980 7.787 0.193 1
1 133 . 17 1 1 A 20 20 LYS HA H 20 3.915 4.453 -0.538 1
1 142 . 17 1 1 A 20 20 LYS C C 20 173.709 175.210 -1.501 1
1 143 . 17 1 1 A 20 20 LYS CA C 20 58.301 54.782 3.519 1
1 144 . 17 1 1 A 20 20 LYS CB C 20 33.533 33.514 0.019 1
1 148 . 17 1 1 A 20 20 LYS N N 20 123.220 121.179 2.041 1
1 149 . 17 1 1 A 21 21 ALA H H 21 7.773 8.608 -0.835 1
1 150 . 17 1 1 A 21 21 ALA HA H 21 5.085 5.061 0.024 1
1 154 . 17 1 1 A 21 21 ALA C C 21 176.075 176.282 -0.207 1
1 155 . 17 1 1 A 21 21 ALA CA C 21 50.454 50.287 0.167 1
1 156 . 17 1 1 A 21 21 ALA CB C 21 22.302 20.454 1.848 1
1 157 . 17 1 1 A 21 21 ALA N N 21 124.199 128.960 -4.761 1
1 158 . 17 1 1 A 22 22 PHE H H 22 8.752 9.062 -0.310 1
1 159 . 17 1 1 A 22 22 PHE HA H 22 4.758 4.958 -0.200 1
1 167 . 17 1 1 A 22 22 PHE C C 22 175.610 176.005 -0.395 1
1 168 . 17 1 1 A 22 22 PHE CA C 22 57.189 56.347 0.842 1
1 169 . 17 1 1 A 22 22 PHE CB C 22 44.496 42.337 2.159 1
1 175 . 17 1 1 A 22 22 PHE N N 22 116.243 120.907 -4.664 1
1 176 . 17 1 1 A 23 23 SER HA H 23 4.703 4.484 0.219 1
1 179 . 17 1 1 A 23 23 SER CA C 23 59.910 61.077 -1.167 1
1 180 . 17 1 1 A 23 23 SER CB C 23 64.442 64.017 0.425 1
1 181 . 17 1 1 A 24 24 GLN H H 24 7.193 7.938 -0.745 1
1 182 . 17 1 1 A 24 24 GLN HA H 24 5.016 4.596 0.420 1
1 189 . 17 1 1 A 24 24 GLN CA C 24 54.212 53.869 0.343 1
1 190 . 17 1 1 A 24 24 GLN CB C 24 33.306 31.102 2.204 1
1 192 . 17 1 1 A 24 24 GLN N N 24 116.538 119.127 -2.589 1
1 194 . 17 1 1 A 25 25 THR HA H 25 3.308 3.809 -0.501 1
1 199 . 17 1 1 A 25 25 THR CA C 25 65.410 66.061 -0.651 1
1 200 . 17 1 1 A 25 25 THR CB C 25 67.602 68.587 -0.985 1
1 202 . 17 1 1 A 26 26 SER HA H 26 4.118 4.204 -0.086 1
1 205 . 17 1 1 A 26 26 SER C C 26 177.127 177.274 -0.147 1
1 206 . 17 1 1 A 26 26 SER CA C 26 60.803 61.665 -0.862 1
1 207 . 17 1 1 A 26 26 SER CB C 26 61.469 62.382 -0.913 1
1 208 . 17 1 1 A 27 27 LYS H H 27 6.629 7.832 -1.203 1
1 209 . 17 1 1 A 27 27 LYS HA H 27 3.994 4.170 -0.176 1
1 218 . 17 1 1 A 27 27 LYS C C 27 178.777 178.749 0.028 1
1 219 . 17 1 1 A 27 27 LYS CA C 27 58.430 59.200 -0.770 1
1 220 . 17 1 1 A 27 27 LYS CB C 27 32.710 32.511 0.199 1
1 224 . 17 1 1 A 27 27 LYS N N 27 121.916 122.512 -0.596 1
1 225 . 17 1 1 A 28 28 LEU H H 28 7.010 7.569 -0.559 1
1 226 . 17 1 1 A 28 28 LEU HA H 28 3.123 1.650 1.473 1
1 236 . 17 1 1 A 28 28 LEU C C 28 177.314 177.775 -0.461 1
1 237 . 17 1 1 A 28 28 LEU CA C 28 57.755 57.459 0.296 1
1 238 . 17 1 1 A 28 28 LEU CB C 28 40.258 41.591 -1.333 1
1 242 . 17 1 1 A 28 28 LEU N N 28 122.007 121.067 0.940 1
1 243 . 17 1 1 A 29 29 ALA H H 29 8.109 8.244 -0.135 1
1 244 . 17 1 1 A 29 29 ALA HA H 29 4.132 3.997 0.135 1
1 248 . 17 1 1 A 29 29 ALA C C 29 180.600 179.190 1.410 1
1 249 . 17 1 1 A 29 29 ALA CA C 29 55.046 55.385 -0.339 1
1 250 . 17 1 1 A 29 29 ALA CB C 29 17.657 18.513 -0.856 1
1 251 . 17 1 1 A 29 29 ALA N N 29 120.851 119.962 0.889 1
1 252 . 17 1 1 A 30 30 ARG H H 30 7.359 7.943 -0.584 1
1 253 . 17 1 1 A 30 30 ARG HA H 30 3.923 3.998 -0.075 1
1 260 . 17 1 1 A 30 30 ARG C C 30 178.903 178.571 0.332 1
1 261 . 17 1 1 A 30 30 ARG CA C 30 58.961 58.733 0.228 1
1 262 . 17 1 1 A 30 30 ARG CB C 30 29.999 29.905 0.094 1
1 265 . 17 1 1 A 30 30 ARG N N 30 116.625 118.596 -1.971 1
1 266 . 17 1 1 A 31 31 HIS H H 31 7.521 8.160 -0.639 1
1 267 . 17 1 1 A 31 31 HIS HA H 31 4.176 4.284 -0.108 1
1 272 . 17 1 1 A 31 31 HIS C C 31 176.189 177.185 -0.996 1
1 273 . 17 1 1 A 31 31 HIS CA C 31 59.062 59.201 -0.139 1
1 274 . 17 1 1 A 31 31 HIS CB C 31 28.455 30.011 -1.556 1
1 277 . 17 1 1 A 31 31 HIS N N 31 119.368 119.078 0.290 1
1 278 . 17 1 1 A 32 32 GLN H H 32 8.334 8.901 -0.567 1
1 279 . 17 1 1 A 32 32 GLN HA H 32 3.658 4.119 -0.461 1
1 286 . 17 1 1 A 32 32 GLN C C 32 177.410 177.753 -0.343 1
1 287 . 17 1 1 A 32 32 GLN CA C 32 59.343 59.079 0.264 1
1 288 . 17 1 1 A 32 32 GLN CB C 32 28.331 28.129 0.202 1
1 290 . 17 1 1 A 32 32 GLN N N 32 115.359 119.049 -3.690 1
1 292 . 17 1 1 A 33 33 ARG H H 33 7.077 7.930 -0.853 1
1 293 . 17 1 1 A 33 33 ARG HA H 33 4.108 4.418 -0.310 1
1 300 . 17 1 1 A 33 33 ARG C C 33 178.553 177.312 1.241 1
1 301 . 17 1 1 A 33 33 ARG CA C 33 58.250 55.514 2.736 1
1 302 . 17 1 1 A 33 33 ARG CB C 33 29.969 30.209 -0.240 1
1 305 . 17 1 1 A 33 33 ARG N N 33 117.106 116.983 0.123 1
1 306 . 17 1 1 A 34 34 ILE H H 34 7.777 8.039 -0.262 1
1 307 . 17 1 1 A 34 34 ILE HA H 34 3.940 4.030 -0.090 1
1 317 . 17 1 1 A 34 34 ILE C C 34 177.451 177.766 -0.315 1
1 318 . 17 1 1 A 34 34 ILE CA C 34 63.117 62.828 0.289 1
1 319 . 17 1 1 A 34 34 ILE CB C 34 37.637 38.439 -0.802 1
1 323 . 17 1 1 A 34 34 ILE N N 34 116.459 115.417 1.042 1
1 324 . 17 1 1 A 35 35 HIS H H 35 7.182 8.159 -0.977 1
1 325 . 17 1 1 A 35 35 HIS HA H 35 4.828 4.189 0.639 1
1 330 . 17 1 1 A 35 35 HIS C C 35 175.851 177.801 -1.950 1
1 331 . 17 1 1 A 35 35 HIS CA C 35 55.280 59.466 -4.186 1
1 332 . 17 1 1 A 35 35 HIS CB C 35 28.512 29.375 -0.863 1
1 335 . 17 1 1 A 35 35 HIS N N 35 117.602 120.792 -3.190 1
1 336 . 17 1 1 A 36 36 THR H H 36 7.747 8.123 -0.376 1
1 337 . 17 1 1 A 36 36 THR HA H 36 4.331 3.915 0.416 1
1 342 . 17 1 1 A 36 36 THR C C 36 175.469 174.888 0.581 1
1 343 . 17 1 1 A 36 36 THR CA C 36 62.467 65.700 -3.233 1
1 344 . 17 1 1 A 36 36 THR CB C 36 69.824 69.057 0.767 1
1 346 . 17 1 1 A 36 36 THR N N 36 111.513 114.553 -3.040 1
1 347 . 17 1 1 A 37 37 GLY H H 37 8.182 7.362 0.820 1
1 348 . 17 1 1 A 37 37 GLY HA2 H 37 4.013 4.048 -0.035 1
1 349 . 17 1 1 A 37 37 GLY HA3 H 37 3.918 4.049 -0.131 1
1 350 . 17 1 1 A 37 37 GLY C C 37 174.052 174.361 -0.309 1
1 351 . 17 1 1 A 37 37 GLY CA C 37 45.367 45.463 -0.096 1
1 352 . 17 1 1 A 37 37 GLY N N 37 110.535 108.823 1.712 1
1 353 . 17 1 1 A 38 38 GLU H H 38 8.052 7.973 0.079 1
1 354 . 17 1 1 A 38 38 GLU HA H 38 4.218 4.392 -0.174 1
1 359 . 17 1 1 A 38 38 GLU CA C 38 56.434 55.568 0.866 1
1 360 . 17 1 1 A 38 38 GLU CB C 38 30.328 31.019 -0.691 1
1 362 . 17 1 1 A 38 38 GLU N N 38 120.571 120.157 0.414 1
1 363 . 17 1 1 A 39 39 LYS H H 39 8.389 8.837 -0.448 1
1 364 . 17 1 1 A 39 39 LYS HA H 39 4.578 4.843 -0.265 1
1 373 . 17 1 1 A 39 39 LYS C C 39 173.753 173.138 0.615 1
1 374 . 17 1 1 A 39 39 LYS CA C 39 54.091 54.813 -0.722 1
1 375 . 17 1 1 A 39 39 LYS CB C 39 32.446 34.653 -2.207 1
1 379 . 17 1 1 A 39 39 LYS N N 39 123.889 116.812 7.077 1
1 380 . 17 1 1 A 40 40 PRO HA H 40 4.438 4.731 -0.293 1
1 387 . 17 1 1 A 40 40 PRO CA C 40 63.206 62.869 0.337 1
1 388 . 17 1 1 A 40 40 PRO CB C 40 32.136 31.894 0.242 1
1 391 . 17 1 1 A 41 41 SER H H 41 8.460 8.571 -0.111 1
1 392 . 17 1 1 A 41 41 SER N N 41 116.511 116.196 0.315 1
1 393 . 17 1 1 A 42 42 GLY HA2 H 42 4.109 4.318 -0.209 1
1 394 . 17 1 1 A 42 42 GLY HA3 H 42 4.109 4.322 -0.213 1
1 395 . 17 1 1 A 42 42 GLY CA C 42 44.689 44.562 0.127 1
1 396 . 17 1 1 A 43 43 PRO HA H 43 4.440 4.389 0.051 1
1 403 . 17 1 1 A 43 43 PRO CA C 43 63.206 64.304 -1.098 1
1 404 . 17 1 1 A 43 43 PRO CB C 43 32.100 31.941 0.159 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.489 4.930 -0.441 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 3.885 4.185 -0.300 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.012 4.197 -0.185 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.367 45.069 0.298 1
1 5 . 18 1 1 A 8 8 THR HA H 8 4.329 4.915 -0.586 1
1 10 . 18 1 1 A 8 8 THR CA C 8 62.105 59.654 2.451 1
1 11 . 18 1 1 A 8 8 THR CB C 8 69.768 71.852 -2.084 1
1 13 . 18 1 1 A 9 9 GLY HA2 H 9 3.880 4.083 -0.203 1
1 14 . 18 1 1 A 9 9 GLY HA3 H 9 3.926 4.085 -0.159 1
1 15 . 18 1 1 A 9 9 GLY CA C 9 45.213 44.614 0.599 1
1 16 . 18 1 1 A 10 10 GLU H H 10 8.181 8.759 -0.578 1
1 17 . 18 1 1 A 10 10 GLU HA H 10 4.130 4.175 -0.045 1
1 22 . 18 1 1 A 10 10 GLU CA C 10 56.831 57.386 -0.555 1
1 23 . 18 1 1 A 10 10 GLU CB C 10 30.246 29.869 0.377 1
1 25 . 18 1 1 A 10 10 GLU N N 10 120.199 121.036 -0.837 1
1 26 . 18 1 1 A 11 11 LYS H H 11 8.309 8.533 -0.224 1
1 27 . 18 1 1 A 11 11 LYS HA H 11 4.352 5.043 -0.691 1
1 36 . 18 1 1 A 11 11 LYS C C 11 174.507 176.856 -2.349 1
1 37 . 18 1 1 A 11 11 LYS CA C 11 53.748 54.762 -1.014 1
1 38 . 18 1 1 A 11 11 LYS CB C 11 33.171 32.314 0.857 1
1 42 . 18 1 1 A 11 11 LYS N N 11 121.525 121.007 0.518 1
1 43 . 18 1 1 A 12 12 PRO HA H 12 4.174 4.488 -0.314 1
1 50 . 18 1 1 A 12 12 PRO C C 12 176.557 176.292 0.265 1
1 51 . 18 1 1 A 12 12 PRO CA C 12 63.551 65.100 -1.549 1
1 52 . 18 1 1 A 12 12 PRO CB C 12 32.242 31.811 0.431 1
1 55 . 18 1 1 A 13 13 TYR H H 13 7.676 8.187 -0.511 1
1 56 . 18 1 1 A 13 13 TYR HA H 13 4.750 4.659 0.091 1
1 63 . 18 1 1 A 13 13 TYR C C 13 174.491 174.792 -0.301 1
1 64 . 18 1 1 A 13 13 TYR CA C 13 56.955 57.303 -0.348 1
1 65 . 18 1 1 A 13 13 TYR CB C 13 37.991 36.904 1.087 1
1 70 . 18 1 1 A 13 13 TYR N N 13 118.317 117.715 0.602 1
1 71 . 18 1 1 A 14 14 LYS H H 14 8.550 7.935 0.615 1
1 72 . 18 1 1 A 14 14 LYS HA H 14 4.909 5.605 -0.696 1
1 81 . 18 1 1 A 14 14 LYS C C 14 175.291 175.573 -0.282 1
1 82 . 18 1 1 A 14 14 LYS CA C 14 55.212 55.103 0.109 1
1 83 . 18 1 1 A 14 14 LYS CB C 14 35.202 34.899 0.303 1
1 87 . 18 1 1 A 14 14 LYS N N 14 124.883 121.344 3.539 1
1 88 . 18 1 1 A 15 15 CYS H H 15 9.179 9.278 -0.099 1
1 89 . 18 1 1 A 15 15 CYS HA H 15 4.479 4.646 -0.167 1
1 92 . 18 1 1 A 15 15 CYS C C 15 177.105 176.118 0.987 1
1 93 . 18 1 1 A 15 15 CYS CA C 15 59.396 59.628 -0.232 1
1 94 . 18 1 1 A 15 15 CYS CB C 15 29.557 28.614 0.943 1
1 95 . 18 1 1 A 15 15 CYS N N 15 126.023 121.275 4.748 1
1 96 . 18 1 1 A 16 16 ASN H H 16 9.374 8.887 0.487 1
1 97 . 18 1 1 A 16 16 ASN HA H 16 4.495 4.555 -0.060 1
1 102 . 18 1 1 A 16 16 ASN C C 16 175.408 177.639 -2.231 1
1 103 . 18 1 1 A 16 16 ASN CA C 16 55.627 55.667 -0.040 1
1 104 . 18 1 1 A 16 16 ASN CB C 16 38.324 38.160 0.164 1
1 105 . 18 1 1 A 16 16 ASN N N 16 130.192 126.818 3.374 1
1 107 . 18 1 1 A 17 17 GLU H H 17 8.691 8.128 0.563 1
1 108 . 18 1 1 A 17 17 GLU HA H 17 4.198 4.003 0.195 1
1 113 . 18 1 1 A 17 17 GLU C C 17 177.098 178.358 -1.260 1
1 114 . 18 1 1 A 17 17 GLU CA C 17 58.381 58.838 -0.457 1
1 115 . 18 1 1 A 17 17 GLU CB C 17 29.486 29.495 -0.009 1
1 117 . 18 1 1 A 17 17 GLU N N 17 120.808 119.763 1.045 1
1 118 . 18 1 1 A 18 18 CYS H H 18 7.886 7.948 -0.062 1
1 119 . 18 1 1 A 18 18 CYS HA H 18 5.146 4.561 0.585 1
1 122 . 18 1 1 A 18 18 CYS C C 18 176.229 175.260 0.969 1
1 123 . 18 1 1 A 18 18 CYS CA C 18 58.295 60.005 -1.710 1
1 124 . 18 1 1 A 18 18 CYS CB C 18 32.487 29.294 3.193 1
1 125 . 18 1 1 A 18 18 CYS N N 18 114.653 114.867 -0.214 1
1 126 . 18 1 1 A 19 19 GLY H H 19 8.142 8.175 -0.033 1
1 127 . 18 1 1 A 19 19 GLY HA2 H 19 3.765 4.062 -0.297 1
1 128 . 18 1 1 A 19 19 GLY HA3 H 19 4.228 4.076 0.152 1
1 129 . 18 1 1 A 19 19 GLY C C 19 173.689 174.331 -0.642 1
1 130 . 18 1 1 A 19 19 GLY CA C 19 46.178 45.249 0.929 1
1 131 . 18 1 1 A 19 19 GLY N N 19 113.359 109.966 3.393 1
1 132 . 18 1 1 A 20 20 LYS H H 20 7.980 7.854 0.126 1
1 133 . 18 1 1 A 20 20 LYS HA H 20 3.915 4.418 -0.503 1
1 142 . 18 1 1 A 20 20 LYS C C 20 173.709 175.480 -1.771 1
1 143 . 18 1 1 A 20 20 LYS CA C 20 58.301 54.937 3.364 1
1 144 . 18 1 1 A 20 20 LYS CB C 20 33.533 33.520 0.013 1
1 148 . 18 1 1 A 20 20 LYS N N 20 123.220 121.450 1.770 1
1 149 . 18 1 1 A 21 21 ALA H H 21 7.773 8.608 -0.835 1
1 150 . 18 1 1 A 21 21 ALA HA H 21 5.085 4.936 0.149 1
1 154 . 18 1 1 A 21 21 ALA C C 21 176.075 176.633 -0.558 1
1 155 . 18 1 1 A 21 21 ALA CA C 21 50.454 50.319 0.135 1
1 156 . 18 1 1 A 21 21 ALA CB C 21 22.302 20.160 2.142 1
1 157 . 18 1 1 A 21 21 ALA N N 21 124.199 128.902 -4.703 1
1 158 . 18 1 1 A 22 22 PHE H H 22 8.752 9.211 -0.459 1
1 159 . 18 1 1 A 22 22 PHE HA H 22 4.758 4.991 -0.233 1
1 167 . 18 1 1 A 22 22 PHE C C 22 175.610 176.077 -0.467 1
1 168 . 18 1 1 A 22 22 PHE CA C 22 57.189 56.783 0.406 1
1 169 . 18 1 1 A 22 22 PHE CB C 22 44.496 42.344 2.152 1
1 175 . 18 1 1 A 22 22 PHE N N 22 116.243 121.820 -5.577 1
1 176 . 18 1 1 A 23 23 SER HA H 23 4.703 4.582 0.121 1
1 179 . 18 1 1 A 23 23 SER CA C 23 59.910 58.881 1.029 1
1 180 . 18 1 1 A 23 23 SER CB C 23 64.442 63.772 0.670 1
1 181 . 18 1 1 A 24 24 GLN H H 24 7.193 7.901 -0.708 1
1 182 . 18 1 1 A 24 24 GLN HA H 24 5.016 4.558 0.458 1
1 189 . 18 1 1 A 24 24 GLN CA C 24 54.212 53.781 0.431 1
1 190 . 18 1 1 A 24 24 GLN CB C 24 33.306 31.239 2.067 1
1 192 . 18 1 1 A 24 24 GLN N N 24 116.538 119.774 -3.236 1
1 194 . 18 1 1 A 25 25 THR HA H 25 3.308 3.622 -0.314 1
1 199 . 18 1 1 A 25 25 THR CA C 25 65.410 66.259 -0.849 1
1 200 . 18 1 1 A 25 25 THR CB C 25 67.602 68.610 -1.008 1
1 202 . 18 1 1 A 26 26 SER HA H 26 4.118 3.960 0.158 1
1 205 . 18 1 1 A 26 26 SER C C 26 177.127 177.297 -0.170 1
1 206 . 18 1 1 A 26 26 SER CA C 26 60.803 61.533 -0.730 1
1 207 . 18 1 1 A 26 26 SER CB C 26 61.469 62.842 -1.373 1
1 208 . 18 1 1 A 27 27 LYS H H 27 6.629 7.799 -1.170 1
1 209 . 18 1 1 A 27 27 LYS HA H 27 3.994 4.014 -0.020 1
1 218 . 18 1 1 A 27 27 LYS C C 27 178.777 178.622 0.155 1
1 219 . 18 1 1 A 27 27 LYS CA C 27 58.430 59.440 -1.010 1
1 220 . 18 1 1 A 27 27 LYS CB C 27 32.710 32.626 0.084 1
1 224 . 18 1 1 A 27 27 LYS N N 27 121.916 121.797 0.119 1
1 225 . 18 1 1 A 28 28 LEU H H 28 7.010 7.563 -0.553 1
1 226 . 18 1 1 A 28 28 LEU HA H 28 3.123 1.690 1.433 1
1 236 . 18 1 1 A 28 28 LEU C C 28 177.314 177.575 -0.261 1
1 237 . 18 1 1 A 28 28 LEU CA C 28 57.755 57.358 0.397 1
1 238 . 18 1 1 A 28 28 LEU CB C 28 40.258 41.184 -0.926 1
1 242 . 18 1 1 A 28 28 LEU N N 28 122.007 121.183 0.824 1
1 243 . 18 1 1 A 29 29 ALA H H 29 8.109 8.075 0.034 1
1 244 . 18 1 1 A 29 29 ALA HA H 29 4.132 4.045 0.087 1
1 248 . 18 1 1 A 29 29 ALA C C 29 180.600 179.219 1.381 1
1 249 . 18 1 1 A 29 29 ALA CA C 29 55.046 55.370 -0.324 1
1 250 . 18 1 1 A 29 29 ALA CB C 29 17.657 18.419 -0.762 1
1 251 . 18 1 1 A 29 29 ALA N N 29 120.851 120.624 0.227 1
1 252 . 18 1 1 A 30 30 ARG H H 30 7.359 8.151 -0.792 1
1 253 . 18 1 1 A 30 30 ARG HA H 30 3.923 3.972 -0.049 1
1 260 . 18 1 1 A 30 30 ARG C C 30 178.903 178.385 0.518 1
1 261 . 18 1 1 A 30 30 ARG CA C 30 58.961 58.450 0.511 1
1 262 . 18 1 1 A 30 30 ARG CB C 30 29.999 30.015 -0.016 1
1 265 . 18 1 1 A 30 30 ARG N N 30 116.625 118.461 -1.836 1
1 266 . 18 1 1 A 31 31 HIS H H 31 7.521 7.919 -0.398 1
1 267 . 18 1 1 A 31 31 HIS HA H 31 4.176 4.270 -0.094 1
1 272 . 18 1 1 A 31 31 HIS C C 31 176.189 177.395 -1.206 1
1 273 . 18 1 1 A 31 31 HIS CA C 31 59.062 59.181 -0.119 1
1 274 . 18 1 1 A 31 31 HIS CB C 31 28.455 30.249 -1.794 1
1 277 . 18 1 1 A 31 31 HIS N N 31 119.368 119.317 0.051 1
1 278 . 18 1 1 A 32 32 GLN H H 32 8.334 8.798 -0.464 1
1 279 . 18 1 1 A 32 32 GLN HA H 32 3.658 4.020 -0.362 1
1 286 . 18 1 1 A 32 32 GLN C C 32 177.410 178.268 -0.858 1
1 287 . 18 1 1 A 32 32 GLN CA C 32 59.343 59.122 0.221 1
1 288 . 18 1 1 A 32 32 GLN CB C 32 28.331 28.271 0.060 1
1 290 . 18 1 1 A 32 32 GLN N N 32 115.359 118.098 -2.739 1
1 292 . 18 1 1 A 33 33 ARG H H 33 7.077 7.734 -0.657 1
1 293 . 18 1 1 A 33 33 ARG HA H 33 4.108 4.067 0.041 1
1 300 . 18 1 1 A 33 33 ARG C C 33 178.553 177.722 0.831 1
1 301 . 18 1 1 A 33 33 ARG CA C 33 58.250 58.207 0.043 1
1 302 . 18 1 1 A 33 33 ARG CB C 33 29.969 30.034 -0.065 1
1 305 . 18 1 1 A 33 33 ARG N N 33 117.106 118.532 -1.426 1
1 306 . 18 1 1 A 34 34 ILE H H 34 7.777 8.016 -0.239 1
1 307 . 18 1 1 A 34 34 ILE HA H 34 3.940 4.065 -0.125 1
1 317 . 18 1 1 A 34 34 ILE C C 34 177.451 176.609 0.842 1
1 318 . 18 1 1 A 34 34 ILE CA C 34 63.117 62.010 1.107 1
1 319 . 18 1 1 A 34 34 ILE CB C 34 37.637 37.612 0.025 1
1 323 . 18 1 1 A 34 34 ILE N N 34 116.459 114.410 2.049 1
1 324 . 18 1 1 A 35 35 HIS H H 35 7.182 8.060 -0.878 1
1 325 . 18 1 1 A 35 35 HIS HA H 35 4.828 4.470 0.358 1
1 330 . 18 1 1 A 35 35 HIS C C 35 175.851 177.367 -1.516 1
1 331 . 18 1 1 A 35 35 HIS CA C 35 55.280 58.408 -3.128 1
1 332 . 18 1 1 A 35 35 HIS CB C 35 28.512 30.979 -2.467 1
1 335 . 18 1 1 A 35 35 HIS N N 35 117.602 119.812 -2.210 1
1 336 . 18 1 1 A 36 36 THR H H 36 7.747 7.530 0.217 1
1 337 . 18 1 1 A 36 36 THR HA H 36 4.331 4.130 0.201 1
1 342 . 18 1 1 A 36 36 THR C C 36 175.469 174.717 0.752 1
1 343 . 18 1 1 A 36 36 THR CA C 36 62.467 64.401 -1.934 1
1 344 . 18 1 1 A 36 36 THR CB C 36 69.824 69.807 0.017 1
1 346 . 18 1 1 A 36 36 THR N N 36 111.513 112.296 -0.783 1
1 347 . 18 1 1 A 37 37 GLY H H 37 8.182 7.879 0.303 1
1 348 . 18 1 1 A 37 37 GLY HA2 H 37 4.013 4.010 0.003 1
1 349 . 18 1 1 A 37 37 GLY HA3 H 37 3.918 4.019 -0.101 1
1 350 . 18 1 1 A 37 37 GLY C C 37 174.052 174.834 -0.782 1
1 351 . 18 1 1 A 37 37 GLY CA C 37 45.367 46.118 -0.751 1
1 352 . 18 1 1 A 37 37 GLY N N 37 110.535 108.463 2.072 1
1 353 . 18 1 1 A 38 38 GLU H H 38 8.052 8.250 -0.198 1
1 354 . 18 1 1 A 38 38 GLU HA H 38 4.218 4.478 -0.260 1
1 359 . 18 1 1 A 38 38 GLU CA C 38 56.434 57.259 -0.825 1
1 360 . 18 1 1 A 38 38 GLU CB C 38 30.328 32.110 -1.782 1
1 362 . 18 1 1 A 38 38 GLU N N 38 120.571 117.685 2.886 1
1 363 . 18 1 1 A 39 39 LYS H H 39 8.389 7.730 0.659 1
1 364 . 18 1 1 A 39 39 LYS HA H 39 4.578 4.459 0.119 1
1 373 . 18 1 1 A 39 39 LYS C C 39 173.753 174.752 -0.999 1
1 374 . 18 1 1 A 39 39 LYS CA C 39 54.091 54.363 -0.272 1
1 375 . 18 1 1 A 39 39 LYS CB C 39 32.446 31.548 0.898 1
1 379 . 18 1 1 A 39 39 LYS N N 39 123.889 119.285 4.604 1
1 380 . 18 1 1 A 40 40 PRO HA H 40 4.438 4.699 -0.261 1
1 387 . 18 1 1 A 40 40 PRO CA C 40 63.206 62.591 0.615 1
1 388 . 18 1 1 A 40 40 PRO CB C 40 32.136 30.097 2.039 1
1 391 . 18 1 1 A 41 41 SER H H 41 8.460 7.865 0.595 1
1 392 . 18 1 1 A 41 41 SER N N 41 116.511 119.962 -3.451 1
1 393 . 18 1 1 A 42 42 GLY HA2 H 42 4.109 4.189 -0.080 1
1 394 . 18 1 1 A 42 42 GLY HA3 H 42 4.109 4.190 -0.081 1
1 395 . 18 1 1 A 42 42 GLY CA C 42 44.689 45.612 -0.923 1
1 396 . 18 1 1 A 43 43 PRO HA H 43 4.440 4.408 0.032 1
1 403 . 18 1 1 A 43 43 PRO CA C 43 63.206 64.902 -1.696 1
1 404 . 18 1 1 A 43 43 PRO CB C 43 32.100 31.999 0.101 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.489 5.078 -0.589 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 3.885 4.079 -0.194 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.012 4.083 -0.071 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.367 44.392 0.975 1
1 5 . 19 1 1 A 8 8 THR HA H 8 4.329 4.675 -0.346 1
1 10 . 19 1 1 A 8 8 THR CA C 8 62.105 61.679 0.426 1
1 11 . 19 1 1 A 8 8 THR CB C 8 69.768 70.153 -0.385 1
1 13 . 19 1 1 A 9 9 GLY HA2 H 9 3.880 4.062 -0.182 1
1 14 . 19 1 1 A 9 9 GLY HA3 H 9 3.926 4.066 -0.140 1
1 15 . 19 1 1 A 9 9 GLY CA C 9 45.213 44.126 1.087 1
1 16 . 19 1 1 A 10 10 GLU H H 10 8.181 8.556 -0.375 1
1 17 . 19 1 1 A 10 10 GLU HA H 10 4.130 4.841 -0.711 1
1 22 . 19 1 1 A 10 10 GLU CA C 10 56.831 55.515 1.316 1
1 23 . 19 1 1 A 10 10 GLU CB C 10 30.246 30.088 0.158 1
1 25 . 19 1 1 A 10 10 GLU N N 10 120.199 121.028 -0.829 1
1 26 . 19 1 1 A 11 11 LYS H H 11 8.309 8.341 -0.032 1
1 27 . 19 1 1 A 11 11 LYS HA H 11 4.352 4.829 -0.477 1
1 36 . 19 1 1 A 11 11 LYS C C 11 174.507 176.810 -2.303 1
1 37 . 19 1 1 A 11 11 LYS CA C 11 53.748 54.278 -0.530 1
1 38 . 19 1 1 A 11 11 LYS CB C 11 33.171 32.198 0.973 1
1 42 . 19 1 1 A 11 11 LYS N N 11 121.525 121.645 -0.120 1
1 43 . 19 1 1 A 12 12 PRO HA H 12 4.174 4.560 -0.386 1
1 50 . 19 1 1 A 12 12 PRO C C 12 176.557 176.170 0.387 1
1 51 . 19 1 1 A 12 12 PRO CA C 12 63.551 64.742 -1.191 1
1 52 . 19 1 1 A 12 12 PRO CB C 12 32.242 31.856 0.386 1
1 55 . 19 1 1 A 13 13 TYR H H 13 7.676 8.155 -0.479 1
1 56 . 19 1 1 A 13 13 TYR HA H 13 4.750 4.670 0.080 1
1 63 . 19 1 1 A 13 13 TYR C C 13 174.491 174.783 -0.292 1
1 64 . 19 1 1 A 13 13 TYR CA C 13 56.955 57.303 -0.348 1
1 65 . 19 1 1 A 13 13 TYR CB C 13 37.991 36.933 1.058 1
1 70 . 19 1 1 A 13 13 TYR N N 13 118.317 118.171 0.146 1
1 71 . 19 1 1 A 14 14 LYS H H 14 8.550 7.988 0.562 1
1 72 . 19 1 1 A 14 14 LYS HA H 14 4.909 5.515 -0.606 1
1 81 . 19 1 1 A 14 14 LYS C C 14 175.291 175.635 -0.344 1
1 82 . 19 1 1 A 14 14 LYS CA C 14 55.212 54.991 0.221 1
1 83 . 19 1 1 A 14 14 LYS CB C 14 35.202 35.150 0.052 1
1 87 . 19 1 1 A 14 14 LYS N N 14 124.883 121.201 3.682 1
1 88 . 19 1 1 A 15 15 CYS H H 15 9.179 9.097 0.082 1
1 89 . 19 1 1 A 15 15 CYS HA H 15 4.479 4.620 -0.141 1
1 92 . 19 1 1 A 15 15 CYS C C 15 177.105 176.368 0.737 1
1 93 . 19 1 1 A 15 15 CYS CA C 15 59.396 59.477 -0.081 1
1 94 . 19 1 1 A 15 15 CYS CB C 15 29.557 28.590 0.967 1
1 95 . 19 1 1 A 15 15 CYS N N 15 126.023 121.212 4.811 1
1 96 . 19 1 1 A 16 16 ASN H H 16 9.374 9.333 0.041 1
1 97 . 19 1 1 A 16 16 ASN HA H 16 4.495 4.625 -0.130 1
1 102 . 19 1 1 A 16 16 ASN C C 16 175.408 176.838 -1.430 1
1 103 . 19 1 1 A 16 16 ASN CA C 16 55.627 54.868 0.759 1
1 104 . 19 1 1 A 16 16 ASN CB C 16 38.324 38.752 -0.428 1
1 105 . 19 1 1 A 16 16 ASN N N 16 130.192 127.790 2.402 1
1 107 . 19 1 1 A 17 17 GLU H H 17 8.691 7.959 0.732 1
1 108 . 19 1 1 A 17 17 GLU HA H 17 4.198 4.134 0.064 1
1 113 . 19 1 1 A 17 17 GLU C C 17 177.098 178.511 -1.413 1
1 114 . 19 1 1 A 17 17 GLU CA C 17 58.381 58.883 -0.502 1
1 115 . 19 1 1 A 17 17 GLU CB C 17 29.486 30.084 -0.598 1
1 117 . 19 1 1 A 17 17 GLU N N 17 120.808 118.093 2.715 1
1 118 . 19 1 1 A 18 18 CYS H H 18 7.886 8.002 -0.116 1
1 119 . 19 1 1 A 18 18 CYS HA H 18 5.146 4.625 0.521 1
1 122 . 19 1 1 A 18 18 CYS C C 18 176.229 175.307 0.922 1
1 123 . 19 1 1 A 18 18 CYS CA C 18 58.295 59.755 -1.460 1
1 124 . 19 1 1 A 18 18 CYS CB C 18 32.487 29.543 2.944 1
1 125 . 19 1 1 A 18 18 CYS N N 18 114.653 114.976 -0.323 1
1 126 . 19 1 1 A 19 19 GLY H H 19 8.142 7.989 0.153 1
1 127 . 19 1 1 A 19 19 GLY HA2 H 19 3.765 4.049 -0.284 1
1 128 . 19 1 1 A 19 19 GLY HA3 H 19 4.228 4.068 0.160 1
1 129 . 19 1 1 A 19 19 GLY C C 19 173.689 174.372 -0.683 1
1 130 . 19 1 1 A 19 19 GLY CA C 19 46.178 45.333 0.845 1
1 131 . 19 1 1 A 19 19 GLY N N 19 113.359 110.369 2.990 1
1 132 . 19 1 1 A 20 20 LYS H H 20 7.980 7.958 0.022 1
1 133 . 19 1 1 A 20 20 LYS HA H 20 3.915 4.255 -0.340 1
1 142 . 19 1 1 A 20 20 LYS C C 20 173.709 175.613 -1.904 1
1 143 . 19 1 1 A 20 20 LYS CA C 20 58.301 55.454 2.847 1
1 144 . 19 1 1 A 20 20 LYS CB C 20 33.533 32.483 1.050 1
1 148 . 19 1 1 A 20 20 LYS N N 20 123.220 121.943 1.277 1
1 149 . 19 1 1 A 21 21 ALA H H 21 7.773 8.433 -0.660 1
1 150 . 19 1 1 A 21 21 ALA HA H 21 5.085 4.855 0.230 1
1 154 . 19 1 1 A 21 21 ALA C C 21 176.075 176.694 -0.619 1
1 155 . 19 1 1 A 21 21 ALA CA C 21 50.454 50.988 -0.534 1
1 156 . 19 1 1 A 21 21 ALA CB C 21 22.302 20.143 2.159 1
1 157 . 19 1 1 A 21 21 ALA N N 21 124.199 128.887 -4.688 1
1 158 . 19 1 1 A 22 22 PHE H H 22 8.752 9.170 -0.418 1
1 159 . 19 1 1 A 22 22 PHE HA H 22 4.758 4.958 -0.200 1
1 167 . 19 1 1 A 22 22 PHE C C 22 175.610 176.134 -0.524 1
1 168 . 19 1 1 A 22 22 PHE CA C 22 57.189 56.609 0.580 1
1 169 . 19 1 1 A 22 22 PHE CB C 22 44.496 42.299 2.197 1
1 175 . 19 1 1 A 22 22 PHE N N 22 116.243 121.200 -4.957 1
1 176 . 19 1 1 A 23 23 SER HA H 23 4.703 4.475 0.228 1
1 179 . 19 1 1 A 23 23 SER CA C 23 59.910 61.282 -1.372 1
1 180 . 19 1 1 A 23 23 SER CB C 23 64.442 63.970 0.472 1
1 181 . 19 1 1 A 24 24 GLN H H 24 7.193 7.651 -0.458 1
1 182 . 19 1 1 A 24 24 GLN HA H 24 5.016 4.619 0.397 1
1 189 . 19 1 1 A 24 24 GLN CA C 24 54.212 53.834 0.378 1
1 190 . 19 1 1 A 24 24 GLN CB C 24 33.306 31.312 1.994 1
1 192 . 19 1 1 A 24 24 GLN N N 24 116.538 117.091 -0.553 1
1 194 . 19 1 1 A 25 25 THR HA H 25 3.308 3.734 -0.426 1
1 199 . 19 1 1 A 25 25 THR CA C 25 65.410 66.301 -0.891 1
1 200 . 19 1 1 A 25 25 THR CB C 25 67.602 68.571 -0.969 1
1 202 . 19 1 1 A 26 26 SER HA H 26 4.118 3.999 0.119 1
1 205 . 19 1 1 A 26 26 SER C C 26 177.127 176.417 0.710 1
1 206 . 19 1 1 A 26 26 SER CA C 26 60.803 62.189 -1.386 1
1 207 . 19 1 1 A 26 26 SER CB C 26 61.469 62.867 -1.398 1
1 208 . 19 1 1 A 27 27 LYS H H 27 6.629 7.887 -1.258 1
1 209 . 19 1 1 A 27 27 LYS HA H 27 3.994 4.047 -0.053 1
1 218 . 19 1 1 A 27 27 LYS C C 27 178.777 178.543 0.234 1
1 219 . 19 1 1 A 27 27 LYS CA C 27 58.430 59.423 -0.993 1
1 220 . 19 1 1 A 27 27 LYS CB C 27 32.710 32.465 0.245 1
1 224 . 19 1 1 A 27 27 LYS N N 27 121.916 121.780 0.136 1
1 225 . 19 1 1 A 28 28 LEU H H 28 7.010 7.664 -0.654 1
1 226 . 19 1 1 A 28 28 LEU HA H 28 3.123 1.785 1.338 1
1 236 . 19 1 1 A 28 28 LEU C C 28 177.314 177.815 -0.501 1
1 237 . 19 1 1 A 28 28 LEU CA C 28 57.755 57.503 0.252 1
1 238 . 19 1 1 A 28 28 LEU CB C 28 40.258 41.462 -1.204 1
1 242 . 19 1 1 A 28 28 LEU N N 28 122.007 121.183 0.824 1
1 243 . 19 1 1 A 29 29 ALA H H 29 8.109 8.125 -0.016 1
1 244 . 19 1 1 A 29 29 ALA HA H 29 4.132 3.977 0.155 1
1 248 . 19 1 1 A 29 29 ALA C C 29 180.600 179.222 1.378 1
1 249 . 19 1 1 A 29 29 ALA CA C 29 55.046 55.376 -0.330 1
1 250 . 19 1 1 A 29 29 ALA CB C 29 17.657 18.501 -0.844 1
1 251 . 19 1 1 A 29 29 ALA N N 29 120.851 120.011 0.840 1
1 252 . 19 1 1 A 30 30 ARG H H 30 7.359 8.078 -0.719 1
1 253 . 19 1 1 A 30 30 ARG HA H 30 3.923 3.997 -0.074 1
1 260 . 19 1 1 A 30 30 ARG C C 30 178.903 178.582 0.321 1
1 261 . 19 1 1 A 30 30 ARG CA C 30 58.961 58.622 0.339 1
1 262 . 19 1 1 A 30 30 ARG CB C 30 29.999 29.986 0.013 1
1 265 . 19 1 1 A 30 30 ARG N N 30 116.625 118.578 -1.953 1
1 266 . 19 1 1 A 31 31 HIS H H 31 7.521 8.296 -0.775 1
1 267 . 19 1 1 A 31 31 HIS HA H 31 4.176 4.273 -0.097 1
1 272 . 19 1 1 A 31 31 HIS C C 31 176.189 177.396 -1.207 1
1 273 . 19 1 1 A 31 31 HIS CA C 31 59.062 58.722 0.340 1
1 274 . 19 1 1 A 31 31 HIS CB C 31 28.455 30.118 -1.663 1
1 277 . 19 1 1 A 31 31 HIS N N 31 119.368 119.060 0.308 1
1 278 . 19 1 1 A 32 32 GLN H H 32 8.334 8.726 -0.392 1
1 279 . 19 1 1 A 32 32 GLN HA H 32 3.658 4.198 -0.540 1
1 286 . 19 1 1 A 32 32 GLN C C 32 177.410 177.331 0.079 1
1 287 . 19 1 1 A 32 32 GLN CA C 32 59.343 58.883 0.460 1
1 288 . 19 1 1 A 32 32 GLN CB C 32 28.331 28.754 -0.423 1
1 290 . 19 1 1 A 32 32 GLN N N 32 115.359 118.773 -3.414 1
1 292 . 19 1 1 A 33 33 ARG H H 33 7.077 7.624 -0.547 1
1 293 . 19 1 1 A 33 33 ARG HA H 33 4.108 4.405 -0.297 1
1 300 . 19 1 1 A 33 33 ARG C C 33 178.553 177.566 0.987 1
1 301 . 19 1 1 A 33 33 ARG CA C 33 58.250 55.575 2.675 1
1 302 . 19 1 1 A 33 33 ARG CB C 33 29.969 30.550 -0.581 1
1 305 . 19 1 1 A 33 33 ARG N N 33 117.106 117.431 -0.325 1
1 306 . 19 1 1 A 34 34 ILE H H 34 7.777 8.013 -0.236 1
1 307 . 19 1 1 A 34 34 ILE HA H 34 3.940 3.870 0.070 1
1 317 . 19 1 1 A 34 34 ILE C C 34 177.451 178.025 -0.574 1
1 318 . 19 1 1 A 34 34 ILE CA C 34 63.117 63.919 -0.802 1
1 319 . 19 1 1 A 34 34 ILE CB C 34 37.637 37.643 -0.006 1
1 323 . 19 1 1 A 34 34 ILE N N 34 116.459 115.446 1.013 1
1 324 . 19 1 1 A 35 35 HIS H H 35 7.182 7.985 -0.803 1
1 325 . 19 1 1 A 35 35 HIS HA H 35 4.828 4.163 0.665 1
1 330 . 19 1 1 A 35 35 HIS C C 35 175.851 177.855 -2.004 1
1 331 . 19 1 1 A 35 35 HIS CA C 35 55.280 59.356 -4.076 1
1 332 . 19 1 1 A 35 35 HIS CB C 35 28.512 30.012 -1.500 1
1 335 . 19 1 1 A 35 35 HIS N N 35 117.602 120.462 -2.860 1
1 336 . 19 1 1 A 36 36 THR H H 36 7.747 8.052 -0.305 1
1 337 . 19 1 1 A 36 36 THR HA H 36 4.331 3.986 0.345 1
1 342 . 19 1 1 A 36 36 THR C C 36 175.469 174.721 0.748 1
1 343 . 19 1 1 A 36 36 THR CA C 36 62.467 65.052 -2.585 1
1 344 . 19 1 1 A 36 36 THR CB C 36 69.824 69.380 0.444 1
1 346 . 19 1 1 A 36 36 THR N N 36 111.513 113.730 -2.217 1
1 347 . 19 1 1 A 37 37 GLY H H 37 8.182 7.483 0.699 1
1 348 . 19 1 1 A 37 37 GLY HA2 H 37 4.013 4.052 -0.039 1
1 349 . 19 1 1 A 37 37 GLY HA3 H 37 3.918 4.062 -0.144 1
1 350 . 19 1 1 A 37 37 GLY C C 37 174.052 175.450 -1.398 1
1 351 . 19 1 1 A 37 37 GLY CA C 37 45.367 45.330 0.037 1
1 352 . 19 1 1 A 37 37 GLY N N 37 110.535 108.828 1.707 1
1 353 . 19 1 1 A 38 38 GLU H H 38 8.052 8.344 -0.292 1
1 354 . 19 1 1 A 38 38 GLU HA H 38 4.218 4.226 -0.008 1
1 359 . 19 1 1 A 38 38 GLU CA C 38 56.434 59.094 -2.660 1
1 360 . 19 1 1 A 38 38 GLU CB C 38 30.328 30.030 0.298 1
1 362 . 19 1 1 A 38 38 GLU N N 38 120.571 117.860 2.711 1
1 363 . 19 1 1 A 39 39 LYS H H 39 8.389 7.764 0.625 1
1 364 . 19 1 1 A 39 39 LYS HA H 39 4.578 4.458 0.120 1
1 373 . 19 1 1 A 39 39 LYS C C 39 173.753 174.463 -0.710 1
1 374 . 19 1 1 A 39 39 LYS CA C 39 54.091 54.452 -0.361 1
1 375 . 19 1 1 A 39 39 LYS CB C 39 32.446 31.446 1.000 1
1 379 . 19 1 1 A 39 39 LYS N N 39 123.889 118.923 4.966 1
1 380 . 19 1 1 A 40 40 PRO HA H 40 4.438 4.610 -0.172 1
1 387 . 19 1 1 A 40 40 PRO CA C 40 63.206 62.244 0.962 1
1 388 . 19 1 1 A 40 40 PRO CB C 40 32.136 32.848 -0.712 1
1 391 . 19 1 1 A 41 41 SER H H 41 8.460 8.389 0.071 1
1 392 . 19 1 1 A 41 41 SER N N 41 116.511 118.277 -1.766 1
1 393 . 19 1 1 A 42 42 GLY HA2 H 42 4.109 4.180 -0.071 1
1 394 . 19 1 1 A 42 42 GLY HA3 H 42 4.109 4.183 -0.074 1
1 395 . 19 1 1 A 42 42 GLY CA C 42 44.689 46.062 -1.373 1
1 396 . 19 1 1 A 43 43 PRO HA H 43 4.440 4.548 -0.108 1
1 403 . 19 1 1 A 43 43 PRO CA C 43 63.206 63.572 -0.366 1
1 404 . 19 1 1 A 43 43 PRO CB C 43 32.100 32.010 0.090 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.489 4.200 0.289 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 3.885 4.092 -0.207 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.012 4.094 -0.082 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.367 45.332 0.035 1
1 5 . 20 1 1 A 8 8 THR HA H 8 4.329 4.449 -0.120 1
1 10 . 20 1 1 A 8 8 THR CA C 8 62.105 62.764 -0.659 1
1 11 . 20 1 1 A 8 8 THR CB C 8 69.768 70.552 -0.784 1
1 13 . 20 1 1 A 9 9 GLY HA2 H 9 3.880 4.005 -0.125 1
1 14 . 20 1 1 A 9 9 GLY HA3 H 9 3.926 4.007 -0.081 1
1 15 . 20 1 1 A 9 9 GLY CA C 9 45.213 44.867 0.346 1
1 16 . 20 1 1 A 10 10 GLU H H 10 8.181 8.623 -0.442 1
1 17 . 20 1 1 A 10 10 GLU HA H 10 4.130 4.447 -0.317 1
1 22 . 20 1 1 A 10 10 GLU CA C 10 56.831 56.392 0.439 1
1 23 . 20 1 1 A 10 10 GLU CB C 10 30.246 29.815 0.431 1
1 25 . 20 1 1 A 10 10 GLU N N 10 120.199 121.051 -0.852 1
1 26 . 20 1 1 A 11 11 LYS H H 11 8.309 8.542 -0.233 1
1 27 . 20 1 1 A 11 11 LYS HA H 11 4.352 4.818 -0.466 1
1 36 . 20 1 1 A 11 11 LYS C C 11 174.507 176.695 -2.188 1
1 37 . 20 1 1 A 11 11 LYS CA C 11 53.748 54.258 -0.510 1
1 38 . 20 1 1 A 11 11 LYS CB C 11 33.171 32.275 0.896 1
1 42 . 20 1 1 A 11 11 LYS N N 11 121.525 120.867 0.658 1
1 43 . 20 1 1 A 12 12 PRO HA H 12 4.174 4.530 -0.356 1
1 50 . 20 1 1 A 12 12 PRO C C 12 176.557 176.632 -0.075 1
1 51 . 20 1 1 A 12 12 PRO CA C 12 63.551 64.606 -1.055 1
1 52 . 20 1 1 A 12 12 PRO CB C 12 32.242 31.718 0.524 1
1 55 . 20 1 1 A 13 13 TYR H H 13 7.676 8.118 -0.442 1
1 56 . 20 1 1 A 13 13 TYR HA H 13 4.750 4.790 -0.040 1
1 63 . 20 1 1 A 13 13 TYR C C 13 174.491 175.279 -0.788 1
1 64 . 20 1 1 A 13 13 TYR CA C 13 56.955 57.327 -0.372 1
1 65 . 20 1 1 A 13 13 TYR CB C 13 37.991 37.717 0.274 1
1 70 . 20 1 1 A 13 13 TYR N N 13 118.317 117.367 0.950 1
1 71 . 20 1 1 A 14 14 LYS H H 14 8.550 7.496 1.054 1
1 72 . 20 1 1 A 14 14 LYS HA H 14 4.909 4.820 0.089 1
1 81 . 20 1 1 A 14 14 LYS C C 14 175.291 176.339 -1.048 1
1 82 . 20 1 1 A 14 14 LYS CA C 14 55.212 56.574 -1.362 1
1 83 . 20 1 1 A 14 14 LYS CB C 14 35.202 33.169 2.033 1
1 87 . 20 1 1 A 14 14 LYS N N 14 124.883 118.388 6.495 1
1 88 . 20 1 1 A 15 15 CYS H H 15 9.179 9.342 -0.163 1
1 89 . 20 1 1 A 15 15 CYS HA H 15 4.479 4.457 0.022 1
1 92 . 20 1 1 A 15 15 CYS C C 15 177.105 175.697 1.408 1
1 93 . 20 1 1 A 15 15 CYS CA C 15 59.396 60.280 -0.884 1
1 94 . 20 1 1 A 15 15 CYS CB C 15 29.557 29.183 0.374 1
1 95 . 20 1 1 A 15 15 CYS N N 15 126.023 122.256 3.767 1
1 96 . 20 1 1 A 16 16 ASN H H 16 9.374 8.803 0.571 1
1 97 . 20 1 1 A 16 16 ASN HA H 16 4.495 4.602 -0.107 1
1 102 . 20 1 1 A 16 16 ASN C C 16 175.408 177.609 -2.201 1
1 103 . 20 1 1 A 16 16 ASN CA C 16 55.627 55.230 0.397 1
1 104 . 20 1 1 A 16 16 ASN CB C 16 38.324 38.442 -0.118 1
1 105 . 20 1 1 A 16 16 ASN N N 16 130.192 126.607 3.585 1
1 107 . 20 1 1 A 17 17 GLU H H 17 8.691 8.149 0.542 1
1 108 . 20 1 1 A 17 17 GLU HA H 17 4.198 3.982 0.216 1
1 113 . 20 1 1 A 17 17 GLU C C 17 177.098 178.279 -1.181 1
1 114 . 20 1 1 A 17 17 GLU CA C 17 58.381 58.794 -0.413 1
1 115 . 20 1 1 A 17 17 GLU CB C 17 29.486 28.730 0.756 1
1 117 . 20 1 1 A 17 17 GLU N N 17 120.808 120.277 0.531 1
1 118 . 20 1 1 A 18 18 CYS H H 18 7.886 7.871 0.015 1
1 119 . 20 1 1 A 18 18 CYS HA H 18 5.146 4.628 0.518 1
1 122 . 20 1 1 A 18 18 CYS C C 18 176.229 175.282 0.947 1
1 123 . 20 1 1 A 18 18 CYS CA C 18 58.295 59.788 -1.493 1
1 124 . 20 1 1 A 18 18 CYS CB C 18 32.487 29.600 2.887 1
1 125 . 20 1 1 A 18 18 CYS N N 18 114.653 115.105 -0.452 1
1 126 . 20 1 1 A 19 19 GLY H H 19 8.142 8.131 0.011 1
1 127 . 20 1 1 A 19 19 GLY HA2 H 19 3.765 4.048 -0.283 1
1 128 . 20 1 1 A 19 19 GLY HA3 H 19 4.228 4.056 0.172 1
1 129 . 20 1 1 A 19 19 GLY C C 19 173.689 174.313 -0.624 1
1 130 . 20 1 1 A 19 19 GLY CA C 19 46.178 45.438 0.740 1
1 131 . 20 1 1 A 19 19 GLY N N 19 113.359 109.987 3.372 1
1 132 . 20 1 1 A 20 20 LYS H H 20 7.980 7.682 0.298 1
1 133 . 20 1 1 A 20 20 LYS HA H 20 3.915 4.436 -0.521 1
1 142 . 20 1 1 A 20 20 LYS C C 20 173.709 174.920 -1.211 1
1 143 . 20 1 1 A 20 20 LYS CA C 20 58.301 54.583 3.718 1
1 144 . 20 1 1 A 20 20 LYS CB C 20 33.533 33.986 -0.453 1
1 148 . 20 1 1 A 20 20 LYS N N 20 123.220 120.722 2.498 1
1 149 . 20 1 1 A 21 21 ALA H H 21 7.773 8.741 -0.968 1
1 150 . 20 1 1 A 21 21 ALA HA H 21 5.085 5.168 -0.083 1
1 154 . 20 1 1 A 21 21 ALA C C 21 176.075 176.530 -0.455 1
1 155 . 20 1 1 A 21 21 ALA CA C 21 50.454 50.264 0.190 1
1 156 . 20 1 1 A 21 21 ALA CB C 21 22.302 20.657 1.645 1
1 157 . 20 1 1 A 21 21 ALA N N 21 124.199 129.394 -5.195 1
1 158 . 20 1 1 A 22 22 PHE H H 22 8.752 8.987 -0.235 1
1 159 . 20 1 1 A 22 22 PHE HA H 22 4.758 4.930 -0.172 1
1 167 . 20 1 1 A 22 22 PHE C C 22 175.610 175.994 -0.384 1
1 168 . 20 1 1 A 22 22 PHE CA C 22 57.189 56.916 0.273 1
1 169 . 20 1 1 A 22 22 PHE CB C 22 44.496 42.575 1.921 1
1 175 . 20 1 1 A 22 22 PHE N N 22 116.243 120.182 -3.939 1
1 176 . 20 1 1 A 23 23 SER HA H 23 4.703 4.545 0.158 1
1 179 . 20 1 1 A 23 23 SER CA C 23 59.910 60.260 -0.350 1
1 180 . 20 1 1 A 23 23 SER CB C 23 64.442 64.209 0.233 1
1 181 . 20 1 1 A 24 24 GLN H H 24 7.193 7.877 -0.684 1
1 182 . 20 1 1 A 24 24 GLN HA H 24 5.016 4.589 0.427 1
1 189 . 20 1 1 A 24 24 GLN CA C 24 54.212 54.044 0.168 1
1 190 . 20 1 1 A 24 24 GLN CB C 24 33.306 31.341 1.965 1
1 192 . 20 1 1 A 24 24 GLN N N 24 116.538 118.842 -2.304 1
1 194 . 20 1 1 A 25 25 THR HA H 25 3.308 3.812 -0.504 1
1 199 . 20 1 1 A 25 25 THR CA C 25 65.410 66.233 -0.823 1
1 200 . 20 1 1 A 25 25 THR CB C 25 67.602 68.585 -0.983 1
1 202 . 20 1 1 A 26 26 SER HA H 26 4.118 3.966 0.152 1
1 205 . 20 1 1 A 26 26 SER C C 26 177.127 177.270 -0.143 1
1 206 . 20 1 1 A 26 26 SER CA C 26 60.803 61.682 -0.879 1
1 207 . 20 1 1 A 26 26 SER CB C 26 61.469 62.933 -1.464 1
1 208 . 20 1 1 A 27 27 LYS H H 27 6.629 7.928 -1.299 1
1 209 . 20 1 1 A 27 27 LYS HA H 27 3.994 3.986 0.008 1
1 218 . 20 1 1 A 27 27 LYS C C 27 178.777 178.609 0.168 1
1 219 . 20 1 1 A 27 27 LYS CA C 27 58.430 59.364 -0.934 1
1 220 . 20 1 1 A 27 27 LYS CB C 27 32.710 32.717 -0.007 1
1 224 . 20 1 1 A 27 27 LYS N N 27 121.916 121.234 0.682 1
1 225 . 20 1 1 A 28 28 LEU H H 28 7.010 7.569 -0.559 1
1 226 . 20 1 1 A 28 28 LEU HA H 28 3.123 1.620 1.503 1
1 236 . 20 1 1 A 28 28 LEU C C 28 177.314 177.670 -0.356 1
1 237 . 20 1 1 A 28 28 LEU CA C 28 57.755 57.356 0.399 1
1 238 . 20 1 1 A 28 28 LEU CB C 28 40.258 41.364 -1.106 1
1 242 . 20 1 1 A 28 28 LEU N N 28 122.007 121.134 0.873 1
1 243 . 20 1 1 A 29 29 ALA H H 29 8.109 8.163 -0.054 1
1 244 . 20 1 1 A 29 29 ALA HA H 29 4.132 4.064 0.068 1
1 248 . 20 1 1 A 29 29 ALA C C 29 180.600 179.196 1.404 1
1 249 . 20 1 1 A 29 29 ALA CA C 29 55.046 55.467 -0.421 1
1 250 . 20 1 1 A 29 29 ALA CB C 29 17.657 18.323 -0.666 1
1 251 . 20 1 1 A 29 29 ALA N N 29 120.851 120.528 0.323 1
1 252 . 20 1 1 A 30 30 ARG H H 30 7.359 8.214 -0.855 1
1 253 . 20 1 1 A 30 30 ARG HA H 30 3.923 4.006 -0.083 1
1 260 . 20 1 1 A 30 30 ARG C C 30 178.903 178.478 0.425 1
1 261 . 20 1 1 A 30 30 ARG CA C 30 58.961 58.503 0.458 1
1 262 . 20 1 1 A 30 30 ARG CB C 30 29.999 30.123 -0.124 1
1 265 . 20 1 1 A 30 30 ARG N N 30 116.625 118.603 -1.978 1
1 266 . 20 1 1 A 31 31 HIS H H 31 7.521 7.852 -0.331 1
1 267 . 20 1 1 A 31 31 HIS HA H 31 4.176 4.256 -0.080 1
1 272 . 20 1 1 A 31 31 HIS C C 31 176.189 177.395 -1.206 1
1 273 . 20 1 1 A 31 31 HIS CA C 31 59.062 59.255 -0.193 1
1 274 . 20 1 1 A 31 31 HIS CB C 31 28.455 30.167 -1.712 1
1 277 . 20 1 1 A 31 31 HIS N N 31 119.368 119.144 0.224 1
1 278 . 20 1 1 A 32 32 GLN H H 32 8.334 8.820 -0.486 1
1 279 . 20 1 1 A 32 32 GLN HA H 32 3.658 4.026 -0.368 1
1 286 . 20 1 1 A 32 32 GLN C C 32 177.410 178.234 -0.824 1
1 287 . 20 1 1 A 32 32 GLN CA C 32 59.343 59.092 0.251 1
1 288 . 20 1 1 A 32 32 GLN CB C 32 28.331 28.274 0.057 1
1 290 . 20 1 1 A 32 32 GLN N N 32 115.359 118.102 -2.743 1
1 292 . 20 1 1 A 33 33 ARG H H 33 7.077 7.742 -0.665 1
1 293 . 20 1 1 A 33 33 ARG HA H 33 4.108 4.084 0.024 1
1 300 . 20 1 1 A 33 33 ARG C C 33 178.553 177.613 0.940 1
1 301 . 20 1 1 A 33 33 ARG CA C 33 58.250 58.191 0.059 1
1 302 . 20 1 1 A 33 33 ARG CB C 33 29.969 30.025 -0.056 1
1 305 . 20 1 1 A 33 33 ARG N N 33 117.106 118.376 -1.270 1
1 306 . 20 1 1 A 34 34 ILE H H 34 7.777 7.947 -0.170 1
1 307 . 20 1 1 A 34 34 ILE HA H 34 3.940 4.263 -0.323 1
1 317 . 20 1 1 A 34 34 ILE C C 34 177.451 176.252 1.199 1
1 318 . 20 1 1 A 34 34 ILE CA C 34 63.117 61.649 1.468 1
1 319 . 20 1 1 A 34 34 ILE CB C 34 37.637 37.655 -0.018 1
1 323 . 20 1 1 A 34 34 ILE N N 34 116.459 112.755 3.704 1
1 324 . 20 1 1 A 35 35 HIS H H 35 7.182 8.299 -1.117 1
1 325 . 20 1 1 A 35 35 HIS HA H 35 4.828 4.789 0.039 1
1 330 . 20 1 1 A 35 35 HIS C C 35 175.851 174.365 1.486 1
1 331 . 20 1 1 A 35 35 HIS CA C 35 55.280 55.325 -0.045 1
1 332 . 20 1 1 A 35 35 HIS CB C 35 28.512 29.344 -0.832 1
1 335 . 20 1 1 A 35 35 HIS N N 35 117.602 120.399 -2.797 1
1 336 . 20 1 1 A 36 36 THR H H 36 7.747 7.558 0.189 1
1 337 . 20 1 1 A 36 36 THR HA H 36 4.331 4.771 -0.440 1
1 342 . 20 1 1 A 36 36 THR C C 36 175.469 171.988 3.481 1
1 343 . 20 1 1 A 36 36 THR CA C 36 62.467 59.586 2.881 1
1 344 . 20 1 1 A 36 36 THR CB C 36 69.824 72.052 -2.228 1
1 346 . 20 1 1 A 36 36 THR N N 36 111.513 113.952 -2.439 1
1 347 . 20 1 1 A 37 37 GLY H H 37 8.182 9.159 -0.977 1
1 348 . 20 1 1 A 37 37 GLY HA2 H 37 4.013 4.219 -0.206 1
1 349 . 20 1 1 A 37 37 GLY HA3 H 37 3.918 4.224 -0.306 1
1 350 . 20 1 1 A 37 37 GLY C C 37 174.052 174.194 -0.142 1
1 351 . 20 1 1 A 37 37 GLY CA C 37 45.367 44.780 0.587 1
1 352 . 20 1 1 A 37 37 GLY N N 37 110.535 115.714 -5.179 1
1 353 . 20 1 1 A 38 38 GLU H H 38 8.052 8.943 -0.891 1
1 354 . 20 1 1 A 38 38 GLU HA H 38 4.218 4.656 -0.438 1
1 359 . 20 1 1 A 38 38 GLU CA C 38 56.434 57.310 -0.876 1
1 360 . 20 1 1 A 38 38 GLU CB C 38 30.328 31.997 -1.669 1
1 362 . 20 1 1 A 38 38 GLU N N 38 120.571 123.754 -3.183 1
1 363 . 20 1 1 A 39 39 LYS H H 39 8.389 7.519 0.870 1
1 364 . 20 1 1 A 39 39 LYS HA H 39 4.578 4.902 -0.324 1
1 373 . 20 1 1 A 39 39 LYS C C 39 173.753 175.762 -2.009 1
1 374 . 20 1 1 A 39 39 LYS CA C 39 54.091 53.477 0.614 1
1 375 . 20 1 1 A 39 39 LYS CB C 39 32.446 34.797 -2.351 1
1 379 . 20 1 1 A 39 39 LYS N N 39 123.889 115.180 8.709 1
1 380 . 20 1 1 A 40 40 PRO HA H 40 4.438 4.490 -0.052 1
1 387 . 20 1 1 A 40 40 PRO CA C 40 63.206 64.482 -1.276 1
1 388 . 20 1 1 A 40 40 PRO CB C 40 32.136 31.767 0.369 1
1 391 . 20 1 1 A 41 41 SER H H 41 8.460 7.736 0.724 1
1 392 . 20 1 1 A 41 41 SER N N 41 116.511 115.413 1.098 1
1 393 . 20 1 1 A 42 42 GLY HA2 H 42 4.109 4.180 -0.071 1
1 394 . 20 1 1 A 42 42 GLY HA3 H 42 4.109 4.181 -0.072 1
1 395 . 20 1 1 A 42 42 GLY CA C 42 44.689 45.184 -0.495 1
1 396 . 20 1 1 A 43 43 PRO HA H 43 4.440 4.593 -0.153 1
1 403 . 20 1 1 A 43 43 PRO CA C 43 63.206 63.618 -0.412 1
1 404 . 20 1 1 A 43 43 PRO CB C 43 32.100 31.815 0.285 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 25 1.013 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.188 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.350 1
4 1 1 1 "RMS(OBS, PRED)" H 27 0.526 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.385 1
6 1 1 1 "RMS(OBS, PRED)" N 27 2.815 1
7 1 2 1 "RMS(OBS, PRED)" C 25 0.998 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.183 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.435 1
10 1 2 1 "RMS(OBS, PRED)" H 27 0.500 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.396 1
12 1 2 1 "RMS(OBS, PRED)" N 27 2.445 1
13 1 3 1 "RMS(OBS, PRED)" C 25 1.185 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.189 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.405 1
16 1 3 1 "RMS(OBS, PRED)" H 27 0.613 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.386 1
18 1 3 1 "RMS(OBS, PRED)" N 27 3.174 1
19 1 4 1 "RMS(OBS, PRED)" C 25 1.152 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.087 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.486 1
22 1 4 1 "RMS(OBS, PRED)" H 27 0.553 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.401 1
24 1 4 1 "RMS(OBS, PRED)" N 27 2.753 1
25 1 5 1 "RMS(OBS, PRED)" C 25 1.204 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.111 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.230 1
28 1 5 1 "RMS(OBS, PRED)" H 27 0.586 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.392 1
30 1 5 1 "RMS(OBS, PRED)" N 27 2.870 1
31 1 6 1 "RMS(OBS, PRED)" C 25 0.986 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.124 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.201 1
34 1 6 1 "RMS(OBS, PRED)" H 27 0.550 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.379 1
36 1 6 1 "RMS(OBS, PRED)" N 27 2.439 1
37 1 7 1 "RMS(OBS, PRED)" C 25 0.957 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.101 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.450 1
40 1 7 1 "RMS(OBS, PRED)" H 27 0.516 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.301 1
42 1 7 1 "RMS(OBS, PRED)" N 27 2.615 1
43 1 8 1 "RMS(OBS, PRED)" C 25 0.970 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.064 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.344 1
46 1 8 1 "RMS(OBS, PRED)" H 27 0.598 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.329 1
48 1 8 1 "RMS(OBS, PRED)" N 27 3.239 1
49 1 9 1 "RMS(OBS, PRED)" C 25 1.025 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.075 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.372 1
52 1 9 1 "RMS(OBS, PRED)" H 27 0.551 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.377 1
54 1 9 1 "RMS(OBS, PRED)" N 27 2.740 1
55 1 10 1 "RMS(OBS, PRED)" C 25 1.037 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.091 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.238 1
58 1 10 1 "RMS(OBS, PRED)" H 27 0.532 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.379 1
60 1 10 1 "RMS(OBS, PRED)" N 27 2.512 1
61 1 11 1 "RMS(OBS, PRED)" C 25 1.118 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.078 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.284 1
64 1 11 1 "RMS(OBS, PRED)" H 27 0.643 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.396 1
66 1 11 1 "RMS(OBS, PRED)" N 27 2.608 1
67 1 12 1 "RMS(OBS, PRED)" C 25 1.045 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.039 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.365 1
70 1 12 1 "RMS(OBS, PRED)" H 27 0.608 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.394 1
72 1 12 1 "RMS(OBS, PRED)" N 27 3.330 1
73 1 13 1 "RMS(OBS, PRED)" C 25 0.958 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.051 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.118 1
76 1 13 1 "RMS(OBS, PRED)" H 27 0.614 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.380 1
78 1 13 1 "RMS(OBS, PRED)" N 27 3.110 1
79 1 14 1 "RMS(OBS, PRED)" C 25 1.151 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.160 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.404 1
82 1 14 1 "RMS(OBS, PRED)" H 27 0.592 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.333 1
84 1 14 1 "RMS(OBS, PRED)" N 27 3.148 1
85 1 15 1 "RMS(OBS, PRED)" C 25 1.116 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.164 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.284 1
88 1 15 1 "RMS(OBS, PRED)" H 27 0.564 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.393 1
90 1 15 1 "RMS(OBS, PRED)" N 27 2.601 1
91 1 16 1 "RMS(OBS, PRED)" C 25 1.064 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.160 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.463 1
94 1 16 1 "RMS(OBS, PRED)" H 27 0.579 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.347 1
96 1 16 1 "RMS(OBS, PRED)" N 27 2.911 1
97 1 17 1 "RMS(OBS, PRED)" C 25 1.066 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.443 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.262 1
100 1 17 1 "RMS(OBS, PRED)" H 27 0.582 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.419 1
102 1 17 1 "RMS(OBS, PRED)" N 27 2.998 1
103 1 18 1 "RMS(OBS, PRED)" C 25 1.093 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.197 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.336 1
106 1 18 1 "RMS(OBS, PRED)" H 27 0.552 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.368 1
108 1 18 1 "RMS(OBS, PRED)" N 27 2.748 1
109 1 19 1 "RMS(OBS, PRED)" C 25 1.089 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.372 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.151 1
112 1 19 1 "RMS(OBS, PRED)" H 27 0.535 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.373 1
114 1 19 1 "RMS(OBS, PRED)" N 27 2.612 1
115 1 20 1 "RMS(OBS, PRED)" C 25 1.339 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.056 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.259 1
118 1 20 1 "RMS(OBS, PRED)" H 27 0.668 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.350 1
120 1 20 1 "RMS(OBS, PRED)" N 27 3.358 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 6 6 SER HA H 6 4.489 4.750 -0.261 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 3.885 4.104 -0.219 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.012 4.106 -0.094 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.367 44.863 0.504 2
1 5 . 1 1 A 8 8 THR HA H 8 4.329 4.886 -0.557 2
1 10 . 1 1 A 8 8 THR CA C 8 62.105 60.624 1.481 2
1 11 . 1 1 A 8 8 THR CB C 8 69.768 70.856 -1.088 2
1 13 . 1 1 A 9 9 GLY HA2 H 9 3.880 4.148 -0.268 2
1 14 . 1 1 A 9 9 GLY HA3 H 9 3.926 4.150 -0.224 2
1 15 . 1 1 A 9 9 GLY CA C 9 45.213 44.982 0.231 2
1 16 . 1 1 A 10 10 GLU H H 10 8.181 8.521 -0.340 2
1 17 . 1 1 A 10 10 GLU HA H 10 4.130 4.623 -0.493 2
1 22 . 1 1 A 10 10 GLU CA C 10 56.831 56.256 0.575 2
1 23 . 1 1 A 10 10 GLU CB C 10 30.246 30.444 -0.198 2
1 25 . 1 1 A 10 10 GLU N N 10 120.199 120.765 -0.566 2
1 26 . 1 1 A 11 11 LYS H H 11 8.309 8.515 -0.206 2
1 27 . 1 1 A 11 11 LYS HA H 11 4.352 4.854 -0.502 2
1 36 . 1 1 A 11 11 LYS C C 11 174.507 176.742 -2.235 2
1 37 . 1 1 A 11 11 LYS CA C 11 53.748 54.406 -0.658 2
1 38 . 1 1 A 11 11 LYS CB C 11 33.171 32.270 0.901 2
1 42 . 1 1 A 11 11 LYS N N 11 121.525 121.311 0.214 2
1 43 . 1 1 A 12 12 PRO HA H 12 4.174 4.548 -0.374 2
1 50 . 1 1 A 12 12 PRO C C 12 176.557 176.375 0.182 2
1 51 . 1 1 A 12 12 PRO CA C 12 63.551 64.659 -1.108 2
1 52 . 1 1 A 12 12 PRO CB C 12 32.242 31.763 0.479 2
1 55 . 1 1 A 13 13 TYR H H 13 7.676 8.168 -0.492 2
1 56 . 1 1 A 13 13 TYR HA H 13 4.750 4.754 -0.004 2
1 63 . 1 1 A 13 13 TYR C C 13 174.491 175.039 -0.548 2
1 64 . 1 1 A 13 13 TYR CA C 13 56.955 57.231 -0.276 2
1 65 . 1 1 A 13 13 TYR CB C 13 37.991 37.212 0.779 2
1 70 . 1 1 A 13 13 TYR N N 13 118.317 117.863 0.454 2
1 71 . 1 1 A 14 14 LYS H H 14 8.550 7.673 0.877 2
1 72 . 1 1 A 14 14 LYS HA H 14 4.909 5.218 -0.309 2
1 81 . 1 1 A 14 14 LYS C C 14 175.291 175.876 -0.586 2
1 82 . 1 1 A 14 14 LYS CA C 14 55.212 55.763 -0.551 2
1 83 . 1 1 A 14 14 LYS CB C 14 35.202 33.955 1.247 2
1 87 . 1 1 A 14 14 LYS N N 14 124.883 119.855 5.028 2
1 88 . 1 1 A 15 15 CYS H H 15 9.179 9.001 0.178 2
1 89 . 1 1 A 15 15 CYS HA H 15 4.479 4.590 -0.111 2
1 92 . 1 1 A 15 15 CYS C C 15 177.105 176.058 1.047 2
1 93 . 1 1 A 15 15 CYS CA C 15 59.396 59.440 -0.044 2
1 94 . 1 1 A 15 15 CYS CB C 15 29.557 28.474 1.083 2
1 95 . 1 1 A 15 15 CYS N N 15 126.023 121.344 4.679 2
1 96 . 1 1 A 16 16 ASN H H 16 9.374 9.025 0.349 2
1 97 . 1 1 A 16 16 ASN HA H 16 4.495 4.576 -0.081 2
1 102 . 1 1 A 16 16 ASN C C 16 175.408 177.207 -1.799 2
1 103 . 1 1 A 16 16 ASN CA C 16 55.627 55.476 0.151 2
1 104 . 1 1 A 16 16 ASN CB C 16 38.324 38.250 0.074 2
1 105 . 1 1 A 16 16 ASN N N 16 130.192 126.834 3.358 2
1 107 . 1 1 A 17 17 GLU H H 17 8.691 8.094 0.597 2
1 108 . 1 1 A 17 17 GLU HA H 17 4.198 4.034 0.164 2
1 113 . 1 1 A 17 17 GLU C C 17 177.098 178.343 -1.245 2
1 114 . 1 1 A 17 17 GLU CA C 17 58.381 58.805 -0.424 2
1 115 . 1 1 A 17 17 GLU CB C 17 29.486 29.451 0.035 2
1 117 . 1 1 A 17 17 GLU N N 17 120.808 119.280 1.528 2
1 118 . 1 1 A 18 18 CYS H H 18 7.886 7.910 -0.024 2
1 119 . 1 1 A 18 18 CYS HA H 18 5.146 4.600 0.546 2
1 122 . 1 1 A 18 18 CYS C C 18 176.229 175.396 0.833 2
1 123 . 1 1 A 18 18 CYS CA C 18 58.295 59.842 -1.547 2
1 124 . 1 1 A 18 18 CYS CB C 18 32.487 29.512 2.975 2
1 125 . 1 1 A 18 18 CYS N N 18 114.653 114.900 -0.247 2
1 126 . 1 1 A 19 19 GLY H H 19 8.142 8.227 -0.085 2
1 127 . 1 1 A 19 19 GLY HA2 H 19 3.765 4.031 -0.266 2
1 128 . 1 1 A 19 19 GLY HA3 H 19 4.228 4.044 0.184 2
1 129 . 1 1 A 19 19 GLY C C 19 173.689 174.359 -0.670 2
1 130 . 1 1 A 19 19 GLY CA C 19 46.178 45.588 0.590 2
1 131 . 1 1 A 19 19 GLY N N 19 113.359 110.067 3.292 2
1 132 . 1 1 A 20 20 LYS H H 20 7.980 7.778 0.202 2
1 133 . 1 1 A 20 20 LYS HA H 20 3.915 4.440 -0.525 2
1 142 . 1 1 A 20 20 LYS C C 20 173.709 175.215 -1.506 2
1 143 . 1 1 A 20 20 LYS CA C 20 58.301 54.771 3.530 2
1 144 . 1 1 A 20 20 LYS CB C 20 33.533 33.668 -0.135 2
1 148 . 1 1 A 20 20 LYS N N 20 123.220 121.002 2.218 2
1 149 . 1 1 A 21 21 ALA H H 21 7.773 8.587 -0.814 2
1 150 . 1 1 A 21 21 ALA HA H 21 5.085 4.951 0.134 2
1 154 . 1 1 A 21 21 ALA C C 21 176.075 176.609 -0.534 2
1 155 . 1 1 A 21 21 ALA CA C 21 50.454 50.761 -0.307 2
1 156 . 1 1 A 21 21 ALA CB C 21 22.302 20.255 2.047 2
1 157 . 1 1 A 21 21 ALA N N 21 124.199 129.095 -4.896 2
1 158 . 1 1 A 22 22 PHE H H 22 8.752 8.980 -0.229 2
1 159 . 1 1 A 22 22 PHE HA H 22 4.758 4.949 -0.191 2
1 167 . 1 1 A 22 22 PHE C C 22 175.610 176.081 -0.471 2
1 168 . 1 1 A 22 22 PHE CA C 22 57.189 56.696 0.493 2
1 169 . 1 1 A 22 22 PHE CB C 22 44.496 42.191 2.305 2
1 175 . 1 1 A 22 22 PHE N N 22 116.243 120.929 -4.686 2
1 176 . 1 1 A 23 23 SER HA H 23 4.703 4.505 0.198 2
1 179 . 1 1 A 23 23 SER CA C 23 59.910 60.263 -0.353 2
1 180 . 1 1 A 23 23 SER CB C 23 64.442 63.896 0.546 2
1 181 . 1 1 A 24 24 GLN H H 24 7.193 7.808 -0.615 2
1 182 . 1 1 A 24 24 GLN HA H 24 5.016 4.585 0.431 2
1 189 . 1 1 A 24 24 GLN CA C 24 54.212 54.216 -0.004 2
1 190 . 1 1 A 24 24 GLN CB C 24 33.306 31.285 2.021 2
1 192 . 1 1 A 24 24 GLN N N 24 116.538 118.416 -1.878 2
1 194 . 1 1 A 25 25 THR HA H 25 3.308 3.742 -0.434 2
1 199 . 1 1 A 25 25 THR CA C 25 65.410 66.161 -0.751 2
1 200 . 1 1 A 25 25 THR CB C 25 67.602 68.618 -1.016 2
1 202 . 1 1 A 26 26 SER HA H 26 4.118 4.034 0.084 2
1 205 . 1 1 A 26 26 SER C C 26 177.127 177.095 0.032 2
1 206 . 1 1 A 26 26 SER CA C 26 60.803 61.659 -0.856 2
1 207 . 1 1 A 26 26 SER CB C 26 61.469 62.826 -1.357 2
1 208 . 1 1 A 27 27 LYS H H 27 6.629 7.864 -1.234 2
1 209 . 1 1 A 27 27 LYS HA H 27 3.994 4.022 -0.028 2
1 218 . 1 1 A 27 27 LYS C C 27 178.777 178.692 0.085 2
1 219 . 1 1 A 27 27 LYS CA C 27 58.430 59.378 -0.948 2
1 220 . 1 1 A 27 27 LYS CB C 27 32.710 32.610 0.100 2
1 224 . 1 1 A 27 27 LYS N N 27 121.916 121.630 0.286 2
1 225 . 1 1 A 28 28 LEU H H 28 7.010 7.621 -0.611 2
1 226 . 1 1 A 28 28 LEU HA H 28 3.123 1.712 1.411 2
1 236 . 1 1 A 28 28 LEU C C 28 177.314 177.685 -0.371 2
1 237 . 1 1 A 28 28 LEU CA C 28 57.755 57.422 0.333 2
1 238 . 1 1 A 28 28 LEU CB C 28 40.258 41.363 -1.105 2
1 242 . 1 1 A 28 28 LEU N N 28 122.007 121.177 0.830 2
1 243 . 1 1 A 29 29 ALA H H 29 8.109 8.183 -0.074 2
1 244 . 1 1 A 29 29 ALA HA H 29 4.132 4.029 0.103 2
1 248 . 1 1 A 29 29 ALA C C 29 180.600 179.403 1.197 2
1 249 . 1 1 A 29 29 ALA CA C 29 55.046 55.442 -0.396 2
1 250 . 1 1 A 29 29 ALA CB C 29 17.657 18.443 -0.786 2
1 251 . 1 1 A 29 29 ALA N N 29 120.851 120.325 0.526 2
1 252 . 1 1 A 30 30 ARG H H 30 7.359 8.070 -0.711 2
1 253 . 1 1 A 30 30 ARG HA H 30 3.923 3.994 -0.071 2
1 260 . 1 1 A 30 30 ARG C C 30 178.903 178.474 0.429 2
1 261 . 1 1 A 30 30 ARG CA C 30 58.961 58.599 0.362 2
1 262 . 1 1 A 30 30 ARG CB C 30 29.999 29.961 0.038 2
1 265 . 1 1 A 30 30 ARG N N 30 116.625 118.488 -1.863 2
1 266 . 1 1 A 31 31 HIS H H 31 7.521 8.025 -0.504 2
1 267 . 1 1 A 31 31 HIS HA H 31 4.176 4.251 -0.075 2
1 272 . 1 1 A 31 31 HIS C C 31 176.189 177.325 -1.136 2
1 273 . 1 1 A 31 31 HIS CA C 31 59.062 59.174 -0.112 2
1 274 . 1 1 A 31 31 HIS CB C 31 28.455 30.208 -1.753 2
1 277 . 1 1 A 31 31 HIS N N 31 119.368 119.583 -0.215 2
1 278 . 1 1 A 32 32 GLN H H 32 8.334 8.738 -0.404 2
1 279 . 1 1 A 32 32 GLN HA H 32 3.658 4.035 -0.377 2
1 286 . 1 1 A 32 32 GLN C C 32 177.410 178.284 -0.874 2
1 287 . 1 1 A 32 32 GLN CA C 32 59.343 59.063 0.280 2
1 288 . 1 1 A 32 32 GLN CB C 32 28.331 28.267 0.064 2
1 290 . 1 1 A 32 32 GLN N N 32 115.359 118.288 -2.929 2
1 292 . 1 1 A 33 33 ARG H H 33 7.077 7.716 -0.639 2
1 293 . 1 1 A 33 33 ARG HA H 33 4.108 4.104 0.004 2
1 300 . 1 1 A 33 33 ARG C C 33 178.553 177.831 0.722 2
1 301 . 1 1 A 33 33 ARG CA C 33 58.250 58.021 0.229 2
1 302 . 1 1 A 33 33 ARG CB C 33 29.969 30.110 -0.140 2
1 305 . 1 1 A 33 33 ARG N N 33 117.106 118.563 -1.457 2
1 306 . 1 1 A 34 34 ILE H H 34 7.777 7.971 -0.194 2
1 307 . 1 1 A 34 34 ILE HA H 34 3.940 4.037 -0.097 2
1 317 . 1 1 A 34 34 ILE C C 34 177.451 176.684 0.767 2
1 318 . 1 1 A 34 34 ILE CA C 34 63.117 62.282 0.835 2
1 319 . 1 1 A 34 34 ILE CB C 34 37.637 37.606 0.031 2
1 323 . 1 1 A 34 34 ILE N N 34 116.459 114.272 2.187 2
1 324 . 1 1 A 35 35 HIS H H 35 7.182 8.123 -0.941 2
1 325 . 1 1 A 35 35 HIS HA H 35 4.828 4.500 0.328 2
1 330 . 1 1 A 35 35 HIS C C 35 175.851 176.235 -0.384 2
1 331 . 1 1 A 35 35 HIS CA C 35 55.280 57.467 -2.187 2
1 332 . 1 1 A 35 35 HIS CB C 35 28.512 30.423 -1.911 2
1 335 . 1 1 A 35 35 HIS N N 35 117.602 119.859 -2.257 2
1 336 . 1 1 A 36 36 THR H H 36 7.747 7.638 0.109 2
1 337 . 1 1 A 36 36 THR HA H 36 4.331 4.289 0.042 2
1 342 . 1 1 A 36 36 THR C C 36 175.469 174.493 0.976 2
1 343 . 1 1 A 36 36 THR CA C 36 62.467 63.038 -0.571 2
1 344 . 1 1 A 36 36 THR CB C 36 69.824 70.131 -0.307 2
1 346 . 1 1 A 36 36 THR N N 36 111.513 113.325 -1.812 2
1 347 . 1 1 A 37 37 GLY H H 37 8.182 8.149 0.033 2
1 348 . 1 1 A 37 37 GLY HA2 H 37 4.013 3.996 0.017 2
1 349 . 1 1 A 37 37 GLY HA3 H 37 3.918 4.003 -0.085 2
1 350 . 1 1 A 37 37 GLY C C 37 174.052 174.360 -0.308 2
1 351 . 1 1 A 37 37 GLY CA C 37 45.367 45.814 -0.447 2
1 352 . 1 1 A 37 37 GLY N N 37 110.535 110.743 -0.208 2
1 353 . 1 1 A 38 38 GLU H H 38 8.052 8.306 -0.254 2
1 354 . 1 1 A 38 38 GLU HA H 38 4.218 4.571 -0.353 2
1 359 . 1 1 A 38 38 GLU CA C 38 56.434 56.473 -0.039 2
1 360 . 1 1 A 38 38 GLU CB C 38 30.328 31.624 -1.296 2
1 362 . 1 1 A 38 38 GLU N N 38 120.571 120.953 -0.382 2
1 363 . 1 1 A 39 39 LYS H H 39 8.389 8.080 0.309 2
1 364 . 1 1 A 39 39 LYS HA H 39 4.578 4.651 -0.073 2
1 373 . 1 1 A 39 39 LYS C C 39 173.753 175.034 -1.281 2
1 374 . 1 1 A 39 39 LYS CA C 39 54.091 53.996 0.095 2
1 375 . 1 1 A 39 39 LYS CB C 39 32.446 33.365 -0.919 2
1 379 . 1 1 A 39 39 LYS N N 39 123.889 120.006 3.883 2
1 380 . 1 1 A 40 40 PRO HA H 40 4.438 4.556 -0.118 2
1 387 . 1 1 A 40 40 PRO CA C 40 63.206 63.322 -0.116 2
1 388 . 1 1 A 40 40 PRO CB C 40 32.136 31.967 0.169 2
1 391 . 1 1 A 41 41 SER H H 41 8.460 8.288 0.172 2
1 392 . 1 1 A 41 41 SER N N 41 116.511 115.362 1.149 2
1 393 . 1 1 A 42 42 GLY HA2 H 42 4.109 4.137 -0.028 2
1 394 . 1 1 A 42 42 GLY HA3 H 42 4.109 4.139 -0.030 2
1 395 . 1 1 A 42 42 GLY CA C 42 44.689 45.000 -0.311 2
1 396 . 1 1 A 43 43 PRO HA H 43 4.440 4.569 -0.129 2
1 403 . 1 1 A 43 43 PRO CA C 43 63.206 63.198 0.008 2
1 404 . 1 1 A 43 43 PRO CB C 43 32.100 31.939 0.161 2
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