data_10218_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10218
_Entry.PDB_ID 2EOJ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 4.008 3.949 0.059 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.008 3.949 0.059 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.487 174.698 -0.211 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.536 46.918 -1.382 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.161 7.922 0.239 1
1 6 . 1 1 1 A 8 8 THR HA H 8 4.393 4.324 0.069 1
1 11 . 1 1 1 A 8 8 THR C C 8 175.248 174.301 0.947 1
1 12 . 1 1 1 A 8 8 THR CA C 8 61.821 62.798 -0.977 1
1 13 . 1 1 1 A 8 8 THR CB C 8 69.873 68.500 1.373 1
1 15 . 1 1 1 A 8 8 THR N N 8 112.733 112.691 0.042 1
1 16 . 1 1 1 A 9 9 GLY H H 9 8.469 8.167 0.302 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 4.008 4.124 -0.116 1
1 18 . 1 1 1 A 9 9 GLY HA3 H 9 4.008 4.124 -0.116 1
1 19 . 1 1 1 A 9 9 GLY C C 9 174.052 172.604 1.448 1
1 20 . 1 1 1 A 9 9 GLY CA C 9 45.528 44.240 1.288 1
1 21 . 1 1 1 A 9 9 GLY N N 9 111.035 111.810 -0.775 1
1 22 . 1 1 1 A 10 10 GLU H H 10 8.214 8.494 -0.280 1
1 23 . 1 1 1 A 10 10 GLU HA H 10 4.246 5.124 -0.878 1
1 28 . 1 1 1 A 10 10 GLU C C 10 175.942 174.576 1.366 1
1 29 . 1 1 1 A 10 10 GLU CA C 10 56.603 54.586 2.017 1
1 30 . 1 1 1 A 10 10 GLU CB C 10 30.592 32.978 -2.386 1
1 32 . 1 1 1 A 10 10 GLU N N 10 119.967 116.456 3.511 1
1 33 . 1 1 1 A 11 11 ASN H H 11 8.407 8.766 -0.359 1
1 34 . 1 1 1 A 11 11 ASN HA H 11 4.947 5.150 -0.203 1
1 39 . 1 1 1 A 11 11 ASN C C 11 172.759 175.184 -2.425 1
1 40 . 1 1 1 A 11 11 ASN CA C 11 51.229 49.788 1.441 1
1 41 . 1 1 1 A 11 11 ASN CB C 11 39.486 40.592 -1.106 1
1 42 . 1 1 1 A 11 11 ASN N N 11 119.687 119.407 0.280 1
1 44 . 1 1 1 A 12 12 PRO HA H 12 4.295 4.295 0.000 1
1 51 . 1 1 1 A 12 12 PRO C C 12 176.280 175.775 0.505 1
1 52 . 1 1 1 A 12 12 PRO CA C 12 63.512 64.158 -0.646 1
1 53 . 1 1 1 A 12 12 PRO CB C 12 32.183 31.336 0.847 1
1 56 . 1 1 1 A 13 13 TYR H H 13 8.160 7.557 0.603 1
1 57 . 1 1 1 A 13 13 TYR HA H 13 4.694 4.917 -0.223 1
1 64 . 1 1 1 A 13 13 TYR C C 13 173.960 174.241 -0.281 1
1 65 . 1 1 1 A 13 13 TYR CA C 13 56.912 56.547 0.365 1
1 66 . 1 1 1 A 13 13 TYR CB C 13 38.357 38.939 -0.582 1
1 71 . 1 1 1 A 13 13 TYR N N 13 118.775 118.168 0.607 1
1 72 . 1 1 1 A 14 14 GLU H H 14 8.335 8.992 -0.657 1
1 73 . 1 1 1 A 14 14 GLU HA H 14 5.017 4.985 0.032 1
1 78 . 1 1 1 A 14 14 GLU C C 14 175.182 175.521 -0.339 1
1 79 . 1 1 1 A 14 14 GLU CA C 14 54.455 54.868 -0.413 1
1 80 . 1 1 1 A 14 14 GLU CB C 14 33.214 32.098 1.116 1
1 82 . 1 1 1 A 14 14 GLU N N 14 123.792 126.163 -2.371 1
1 83 . 1 1 1 A 15 15 CYS H H 15 9.398 8.999 0.399 1
1 84 . 1 1 1 A 15 15 CYS HA H 15 4.648 4.410 0.238 1
1 87 . 1 1 1 A 15 15 CYS C C 15 177.220 175.731 1.489 1
1 88 . 1 1 1 A 15 15 CYS CA C 15 59.337 59.892 -0.555 1
1 89 . 1 1 1 A 15 15 CYS CB C 15 29.644 28.698 0.946 1
1 90 . 1 1 1 A 15 15 CYS N N 15 127.444 126.079 1.365 1
1 91 . 1 1 1 A 16 16 CYS H H 16 9.319 8.978 0.341 1
1 92 . 1 1 1 A 16 16 CYS HA H 16 4.475 4.091 0.384 1
1 95 . 1 1 1 A 16 16 CYS C C 16 174.596 176.876 -2.280 1
1 96 . 1 1 1 A 16 16 CYS CA C 16 60.515 62.261 -1.746 1
1 97 . 1 1 1 A 16 16 CYS CB C 16 27.201 27.071 0.130 1
1 98 . 1 1 1 A 16 16 CYS N N 16 130.435 127.018 3.417 1
1 99 . 1 1 1 A 17 17 GLU H H 17 8.688 8.111 0.577 1
1 100 . 1 1 1 A 17 17 GLU HA H 17 4.287 3.996 0.291 1
1 105 . 1 1 1 A 17 17 GLU C C 17 177.134 177.978 -0.844 1
1 106 . 1 1 1 A 17 17 GLU CA C 17 58.287 59.528 -1.241 1
1 107 . 1 1 1 A 17 17 GLU CB C 17 29.747 29.057 0.690 1
1 109 . 1 1 1 A 17 17 GLU N N 17 122.479 120.249 2.230 1
1 110 . 1 1 1 A 18 18 CYS H H 18 7.912 7.720 0.192 1
1 111 . 1 1 1 A 18 18 CYS HA H 18 5.182 4.653 0.529 1
1 114 . 1 1 1 A 18 18 CYS C C 18 176.224 175.424 0.800 1
1 115 . 1 1 1 A 18 18 CYS CA C 18 58.452 59.531 -1.079 1
1 116 . 1 1 1 A 18 18 CYS CB C 18 32.577 29.881 2.696 1
1 117 . 1 1 1 A 18 18 CYS N N 18 114.583 114.806 -0.223 1
1 118 . 1 1 1 A 19 19 GLY H H 19 8.302 8.224 0.078 1
1 119 . 1 1 1 A 19 19 GLY HA2 H 19 3.918 4.069 -0.151 1
1 120 . 1 1 1 A 19 19 GLY HA3 H 19 4.235 4.072 0.163 1
1 121 . 1 1 1 A 19 19 GLY C C 19 173.879 174.209 -0.330 1
1 122 . 1 1 1 A 19 19 GLY CA C 19 46.133 45.677 0.456 1
1 123 . 1 1 1 A 19 19 GLY N N 19 113.493 110.050 3.443 1
1 124 . 1 1 1 A 20 20 LYS H H 20 7.918 7.590 0.328 1
1 125 . 1 1 1 A 20 20 LYS HA H 20 4.006 4.677 -0.671 1
1 134 . 1 1 1 A 20 20 LYS C C 20 174.253 175.550 -1.297 1
1 135 . 1 1 1 A 20 20 LYS CA C 20 58.177 54.574 3.603 1
1 136 . 1 1 1 A 20 20 LYS CB C 20 33.916 34.953 -1.037 1
1 140 . 1 1 1 A 20 20 LYS N N 20 122.419 119.219 3.200 1
1 141 . 1 1 1 A 21 21 VAL H H 21 7.565 8.811 -1.246 1
1 142 . 1 1 1 A 21 21 VAL HA H 21 4.798 5.186 -0.388 1
1 150 . 1 1 1 A 21 21 VAL C C 21 175.151 174.913 0.238 1
1 151 . 1 1 1 A 21 21 VAL CA C 21 60.194 61.263 -1.069 1
1 152 . 1 1 1 A 21 21 VAL CB C 21 34.074 33.114 0.960 1
1 155 . 1 1 1 A 21 21 VAL N N 21 116.838 123.812 -6.974 1
1 156 . 1 1 1 A 22 22 PHE H H 22 8.603 8.954 -0.351 1
1 157 . 1 1 1 A 22 22 PHE HA H 22 4.787 5.107 -0.320 1
1 165 . 1 1 1 A 22 22 PHE C C 22 175.198 175.760 -0.562 1
1 166 . 1 1 1 A 22 22 PHE CA C 22 56.970 56.447 0.523 1
1 167 . 1 1 1 A 22 22 PHE CB C 22 43.313 43.825 -0.512 1
1 173 . 1 1 1 A 22 22 PHE N N 22 121.088 124.276 -3.188 1
1 174 . 1 1 1 A 23 23 SER H H 23 8.908 9.071 -0.163 1
1 175 . 1 1 1 A 23 23 SER HA H 23 4.678 4.692 -0.014 1
1 178 . 1 1 1 A 23 23 SER C C 23 174.535 174.479 0.056 1
1 179 . 1 1 1 A 23 23 SER CA C 23 60.208 60.428 -0.220 1
1 180 . 1 1 1 A 23 23 SER CB C 23 64.284 64.543 -0.259 1
1 181 . 1 1 1 A 23 23 SER N N 23 115.507 115.874 -0.367 1
1 182 . 1 1 1 A 24 24 ARG H H 24 7.696 7.970 -0.274 1
1 183 . 1 1 1 A 24 24 ARG HA H 24 4.727 4.658 0.069 1
1 190 . 1 1 1 A 24 24 ARG C C 24 176.245 175.848 0.397 1
1 191 . 1 1 1 A 24 24 ARG CA C 24 54.240 54.294 -0.054 1
1 192 . 1 1 1 A 24 24 ARG CB C 24 35.386 32.745 2.641 1
1 195 . 1 1 1 A 24 24 ARG N N 24 117.322 119.356 -2.034 1
1 196 . 1 1 1 A 25 25 LYS H H 25 8.456 8.133 0.323 1
1 197 . 1 1 1 A 25 25 LYS HA H 25 3.035 3.019 0.016 1
1 206 . 1 1 1 A 25 25 LYS C C 25 177.886 177.712 0.174 1
1 207 . 1 1 1 A 25 25 LYS CA C 25 59.309 59.954 -0.645 1
1 208 . 1 1 1 A 25 25 LYS CB C 25 31.983 31.961 0.022 1
1 212 . 1 1 1 A 25 25 LYS N N 25 125.034 125.360 -0.326 1
1 213 . 1 1 1 A 26 26 ASP H H 26 8.540 8.252 0.288 1
1 214 . 1 1 1 A 26 26 ASP HA H 26 4.142 4.213 -0.071 1
1 217 . 1 1 1 A 26 26 ASP C C 26 178.695 178.662 0.033 1
1 218 . 1 1 1 A 26 26 ASP CA C 26 56.780 57.302 -0.522 1
1 219 . 1 1 1 A 26 26 ASP CB C 26 39.330 40.360 -1.030 1
1 220 . 1 1 1 A 26 26 ASP N N 26 114.989 118.819 -3.830 1
1 221 . 1 1 1 A 27 27 GLN H H 27 6.981 8.182 -1.201 1
1 222 . 1 1 1 A 27 27 GLN HA H 27 3.987 4.023 -0.036 1
1 229 . 1 1 1 A 27 27 GLN C C 27 178.473 178.372 0.101 1
1 230 . 1 1 1 A 27 27 GLN CA C 27 57.612 59.150 -1.538 1
1 231 . 1 1 1 A 27 27 GLN CB C 27 28.915 28.554 0.361 1
1 233 . 1 1 1 A 27 27 GLN N N 27 119.394 118.159 1.235 1
1 235 . 1 1 1 A 28 28 LEU H H 28 6.969 7.500 -0.531 1
1 236 . 1 1 1 A 28 28 LEU HA H 28 3.249 2.715 0.534 1
1 246 . 1 1 1 A 28 28 LEU C C 28 177.627 178.519 -0.892 1
1 247 . 1 1 1 A 28 28 LEU CA C 28 57.956 57.645 0.311 1
1 248 . 1 1 1 A 28 28 LEU CB C 28 40.568 41.252 -0.684 1
1 252 . 1 1 1 A 28 28 LEU N N 28 121.993 121.326 0.667 1
1 253 . 1 1 1 A 29 29 VAL H H 29 8.261 8.018 0.243 1
1 254 . 1 1 1 A 29 29 VAL HA H 29 3.704 3.432 0.272 1
1 262 . 1 1 1 A 29 29 VAL C C 29 179.259 178.208 1.051 1
1 263 . 1 1 1 A 29 29 VAL CA C 29 66.532 67.015 -0.483 1
1 264 . 1 1 1 A 29 29 VAL CB C 29 31.765 31.439 0.326 1
1 267 . 1 1 1 A 29 29 VAL N N 29 119.585 119.788 -0.203 1
1 268 . 1 1 1 A 30 30 SER H H 30 7.721 7.799 -0.078 1
1 269 . 1 1 1 A 30 30 SER HA H 30 4.104 4.207 -0.103 1
1 272 . 1 1 1 A 30 30 SER C C 30 177.207 176.653 0.554 1
1 273 . 1 1 1 A 30 30 SER CA C 30 61.647 60.549 1.098 1
1 274 . 1 1 1 A 30 30 SER CB C 30 62.575 63.230 -0.655 1
1 275 . 1 1 1 A 30 30 SER N N 30 113.762 114.968 -1.206 1
1 276 . 1 1 1 A 31 31 HIS H H 31 7.676 8.094 -0.418 1
1 277 . 1 1 1 A 31 31 HIS HA H 31 4.271 4.295 -0.024 1
1 282 . 1 1 1 A 31 31 HIS C C 31 177.982 177.395 0.587 1
1 283 . 1 1 1 A 31 31 HIS CA C 31 59.051 59.387 -0.336 1
1 284 . 1 1 1 A 31 31 HIS CB C 31 28.436 30.131 -1.695 1
1 287 . 1 1 1 A 31 31 HIS N N 31 120.492 120.876 -0.384 1
1 288 . 1 1 1 A 32 32 GLN H H 32 8.881 8.581 0.300 1
1 289 . 1 1 1 A 32 32 GLN HA H 32 3.718 4.030 -0.312 1
1 296 . 1 1 1 A 32 32 GLN C C 32 177.983 178.771 -0.788 1
1 297 . 1 1 1 A 32 32 GLN CA C 32 59.912 58.506 1.406 1
1 298 . 1 1 1 A 32 32 GLN CB C 32 28.124 28.520 -0.396 1
1 300 . 1 1 1 A 32 32 GLN N N 32 120.621 119.108 1.513 1
1 302 . 1 1 1 A 33 33 LYS H H 33 7.245 7.838 -0.593 1
1 303 . 1 1 1 A 33 33 LYS HA H 33 4.151 4.108 0.043 1
1 312 . 1 1 1 A 33 33 LYS C C 33 178.380 177.480 0.900 1
1 313 . 1 1 1 A 33 33 LYS CA C 33 58.671 59.335 -0.664 1
1 314 . 1 1 1 A 33 33 LYS CB C 33 32.152 32.309 -0.157 1
1 318 . 1 1 1 A 33 33 LYS N N 33 117.710 119.757 -2.047 1
1 319 . 1 1 1 A 34 34 THR H H 34 7.753 7.200 0.553 1
1 320 . 1 1 1 A 34 34 THR HA H 34 4.151 4.387 -0.236 1
1 325 . 1 1 1 A 34 34 THR C C 34 175.449 173.403 2.046 1
1 326 . 1 1 1 A 34 34 THR CA C 34 63.751 61.318 2.433 1
1 327 . 1 1 1 A 34 34 THR CB C 34 69.354 68.937 0.417 1
1 329 . 1 1 1 A 34 34 THR N N 34 109.516 111.705 -2.189 1
1 330 . 1 1 1 A 35 35 HIS H H 35 7.153 7.312 -0.159 1
1 331 . 1 1 1 A 35 35 HIS HA H 35 4.874 4.917 -0.043 1
1 336 . 1 1 1 A 35 35 HIS C C 35 175.240 174.388 0.852 1
1 337 . 1 1 1 A 35 35 HIS CA C 35 55.228 54.264 0.964 1
1 338 . 1 1 1 A 35 35 HIS CB C 35 28.899 33.511 -4.612 1
1 341 . 1 1 1 A 35 35 HIS N N 35 118.672 121.691 -3.019 1
1 342 . 1 1 1 A 36 36 SER H H 36 7.936 8.742 -0.806 1
1 345 . 1 1 1 A 36 36 SER C C 36 175.155 173.937 1.218 1
1 346 . 1 1 1 A 36 36 SER CA C 36 58.865 59.775 -0.910 1
1 347 . 1 1 1 A 36 36 SER CB C 36 63.926 63.269 0.657 1
1 348 . 1 1 1 A 36 36 SER N N 36 115.177 117.558 -2.381 1
1 349 . 1 1 1 A 37 37 GLY HA2 H 37 4.000 4.154 -0.154 1
1 350 . 1 1 1 A 37 37 GLY HA3 H 37 3.924 4.155 -0.231 1
1 351 . 1 1 1 A 37 37 GLY C C 37 174.151 173.281 0.870 1
1 352 . 1 1 1 A 37 37 GLY CA C 37 45.327 45.122 0.205 1
1 353 . 1 1 1 A 38 38 GLN H H 38 8.214 8.352 -0.138 1
1 354 . 1 1 1 A 38 38 GLN HA H 38 4.419 4.443 -0.024 1
1 360 . 1 1 1 A 38 38 GLN C C 38 176.047 174.933 1.114 1
1 361 . 1 1 1 A 38 38 GLN CA C 38 55.808 55.776 0.032 1
1 362 . 1 1 1 A 38 38 GLN CB C 38 29.587 28.521 1.066 1
1 364 . 1 1 1 A 38 38 GLN N N 38 119.770 118.979 0.791 1
1 366 . 1 1 1 A 39 39 SER H H 39 8.420 8.494 -0.074 1
1 367 . 1 1 1 A 39 39 SER HA H 39 4.510 5.079 -0.569 1
1 370 . 1 1 1 A 39 39 SER C C 39 174.504 173.166 1.338 1
1 371 . 1 1 1 A 39 39 SER CA C 39 58.371 57.643 0.728 1
1 372 . 1 1 1 A 39 39 SER CB C 39 64.007 64.958 -0.951 1
1 373 . 1 1 1 A 39 39 SER N N 39 117.120 118.937 -1.817 1
1 374 . 1 1 1 A 40 40 GLY H H 40 8.269 8.341 -0.072 1
1 375 . 1 1 1 A 40 40 GLY HA2 H 40 4.108 4.180 -0.072 1
1 376 . 1 1 1 A 40 40 GLY HA3 H 40 4.182 4.181 0.001 1
1 377 . 1 1 1 A 40 40 GLY C C 40 171.768 171.669 0.099 1
1 378 . 1 1 1 A 40 40 GLY CA C 40 44.645 45.403 -0.758 1
1 379 . 1 1 1 A 40 40 GLY N N 40 110.759 112.822 -2.063 1
1 380 . 1 1 1 A 41 41 PRO HA H 41 4.490 4.753 -0.263 1
1 387 . 1 1 1 A 41 41 PRO C C 41 177.377 176.611 0.766 1
1 388 . 1 1 1 A 41 41 PRO CA C 41 63.244 62.445 0.799 1
1 389 . 1 1 1 A 41 41 PRO CB C 41 32.185 30.138 2.047 1
1 392 . 1 1 1 A 42 42 SER H H 42 8.514 8.101 0.413 1
1 393 . 1 1 1 A 42 42 SER C C 42 174.655 175.054 -0.399 1
1 394 . 1 1 1 A 42 42 SER CA C 42 58.447 56.719 1.728 1
1 395 . 1 1 1 A 42 42 SER CB C 42 64.027 65.822 -1.795 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 4.008 4.115 -0.107 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.008 4.115 -0.107 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.487 174.066 0.421 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.536 45.512 0.024 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.161 8.137 0.024 1
1 6 . 2 1 1 A 8 8 THR HA H 8 4.393 4.849 -0.456 1
1 11 . 2 1 1 A 8 8 THR C C 8 175.248 174.551 0.697 1
1 12 . 2 1 1 A 8 8 THR CA C 8 61.821 61.207 0.614 1
1 13 . 2 1 1 A 8 8 THR CB C 8 69.873 69.678 0.195 1
1 15 . 2 1 1 A 8 8 THR N N 8 112.733 115.154 -2.421 1
1 16 . 2 1 1 A 9 9 GLY H H 9 8.469 8.386 0.083 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 4.008 4.151 -0.143 1
1 18 . 2 1 1 A 9 9 GLY HA3 H 9 4.008 4.152 -0.144 1
1 19 . 2 1 1 A 9 9 GLY C C 9 174.052 173.100 0.952 1
1 20 . 2 1 1 A 9 9 GLY CA C 9 45.528 44.749 0.779 1
1 21 . 2 1 1 A 9 9 GLY N N 9 111.035 113.155 -2.120 1
1 22 . 2 1 1 A 10 10 GLU H H 10 8.214 8.854 -0.640 1
1 23 . 2 1 1 A 10 10 GLU HA H 10 4.246 4.891 -0.645 1
1 28 . 2 1 1 A 10 10 GLU C C 10 175.942 175.597 0.345 1
1 29 . 2 1 1 A 10 10 GLU CA C 10 56.603 55.332 1.271 1
1 30 . 2 1 1 A 10 10 GLU CB C 10 30.592 31.053 -0.461 1
1 32 . 2 1 1 A 10 10 GLU N N 10 119.967 122.754 -2.787 1
1 33 . 2 1 1 A 11 11 ASN H H 11 8.407 8.806 -0.399 1
1 34 . 2 1 1 A 11 11 ASN HA H 11 4.947 5.373 -0.426 1
1 39 . 2 1 1 A 11 11 ASN C C 11 172.759 173.860 -1.101 1
1 40 . 2 1 1 A 11 11 ASN CA C 11 51.229 50.312 0.917 1
1 41 . 2 1 1 A 11 11 ASN CB C 11 39.486 39.308 0.178 1
1 42 . 2 1 1 A 11 11 ASN N N 11 119.687 124.432 -4.745 1
1 44 . 2 1 1 A 12 12 PRO HA H 12 4.295 4.419 -0.124 1
1 51 . 2 1 1 A 12 12 PRO C C 12 176.280 175.944 0.336 1
1 52 . 2 1 1 A 12 12 PRO CA C 12 63.512 64.277 -0.765 1
1 53 . 2 1 1 A 12 12 PRO CB C 12 32.183 31.437 0.746 1
1 56 . 2 1 1 A 13 13 TYR H H 13 8.160 7.727 0.433 1
1 57 . 2 1 1 A 13 13 TYR HA H 13 4.694 4.888 -0.194 1
1 64 . 2 1 1 A 13 13 TYR C C 13 173.960 175.088 -1.128 1
1 65 . 2 1 1 A 13 13 TYR CA C 13 56.912 56.542 0.370 1
1 66 . 2 1 1 A 13 13 TYR CB C 13 38.357 37.415 0.942 1
1 71 . 2 1 1 A 13 13 TYR N N 13 118.775 116.840 1.935 1
1 72 . 2 1 1 A 14 14 GLU H H 14 8.335 7.972 0.363 1
1 73 . 2 1 1 A 14 14 GLU HA H 14 5.017 4.773 0.244 1
1 78 . 2 1 1 A 14 14 GLU C C 14 175.182 175.910 -0.728 1
1 79 . 2 1 1 A 14 14 GLU CA C 14 54.455 55.418 -0.963 1
1 80 . 2 1 1 A 14 14 GLU CB C 14 33.214 30.603 2.611 1
1 82 . 2 1 1 A 14 14 GLU N N 14 123.792 123.024 0.768 1
1 83 . 2 1 1 A 15 15 CYS H H 15 9.398 8.972 0.426 1
1 84 . 2 1 1 A 15 15 CYS HA H 15 4.648 4.552 0.096 1
1 87 . 2 1 1 A 15 15 CYS C C 15 177.220 176.009 1.211 1
1 88 . 2 1 1 A 15 15 CYS CA C 15 59.337 60.050 -0.713 1
1 89 . 2 1 1 A 15 15 CYS CB C 15 29.644 29.102 0.542 1
1 90 . 2 1 1 A 15 15 CYS N N 15 127.444 126.208 1.236 1
1 91 . 2 1 1 A 16 16 CYS H H 16 9.319 8.886 0.433 1
1 92 . 2 1 1 A 16 16 CYS HA H 16 4.475 4.570 -0.095 1
1 95 . 2 1 1 A 16 16 CYS C C 16 174.596 175.570 -0.974 1
1 96 . 2 1 1 A 16 16 CYS CA C 16 60.515 58.946 1.569 1
1 97 . 2 1 1 A 16 16 CYS CB C 16 27.201 26.798 0.403 1
1 98 . 2 1 1 A 16 16 CYS N N 16 130.435 127.235 3.200 1
1 99 . 2 1 1 A 17 17 GLU H H 17 8.688 7.971 0.717 1
1 100 . 2 1 1 A 17 17 GLU HA H 17 4.287 4.443 -0.156 1
1 105 . 2 1 1 A 17 17 GLU C C 17 177.134 177.807 -0.673 1
1 106 . 2 1 1 A 17 17 GLU CA C 17 58.287 57.176 1.111 1
1 107 . 2 1 1 A 17 17 GLU CB C 17 29.747 32.185 -2.438 1
1 109 . 2 1 1 A 17 17 GLU N N 17 122.479 122.220 0.259 1
1 110 . 2 1 1 A 18 18 CYS H H 18 7.912 8.022 -0.110 1
1 111 . 2 1 1 A 18 18 CYS HA H 18 5.182 4.691 0.491 1
1 114 . 2 1 1 A 18 18 CYS C C 18 176.224 175.525 0.699 1
1 115 . 2 1 1 A 18 18 CYS CA C 18 58.452 59.515 -1.063 1
1 116 . 2 1 1 A 18 18 CYS CB C 18 32.577 29.992 2.585 1
1 117 . 2 1 1 A 18 18 CYS N N 18 114.583 114.834 -0.251 1
1 118 . 2 1 1 A 19 19 GLY H H 19 8.302 8.293 0.009 1
1 119 . 2 1 1 A 19 19 GLY HA2 H 19 3.918 4.060 -0.142 1
1 120 . 2 1 1 A 19 19 GLY HA3 H 19 4.235 4.069 0.166 1
1 121 . 2 1 1 A 19 19 GLY C C 19 173.879 174.205 -0.326 1
1 122 . 2 1 1 A 19 19 GLY CA C 19 46.133 45.643 0.490 1
1 123 . 2 1 1 A 19 19 GLY N N 19 113.493 109.760 3.733 1
1 124 . 2 1 1 A 20 20 LYS H H 20 7.918 7.905 0.013 1
1 125 . 2 1 1 A 20 20 LYS HA H 20 4.006 4.672 -0.666 1
1 134 . 2 1 1 A 20 20 LYS C C 20 174.253 175.225 -0.972 1
1 135 . 2 1 1 A 20 20 LYS CA C 20 58.177 54.444 3.733 1
1 136 . 2 1 1 A 20 20 LYS CB C 20 33.916 35.187 -1.271 1
1 140 . 2 1 1 A 20 20 LYS N N 20 122.419 118.993 3.426 1
1 141 . 2 1 1 A 21 21 VAL H H 21 7.565 8.687 -1.122 1
1 142 . 2 1 1 A 21 21 VAL HA H 21 4.798 4.949 -0.151 1
1 150 . 2 1 1 A 21 21 VAL C C 21 175.151 174.681 0.470 1
1 151 . 2 1 1 A 21 21 VAL CA C 21 60.194 61.009 -0.815 1
1 152 . 2 1 1 A 21 21 VAL CB C 21 34.074 33.434 0.640 1
1 155 . 2 1 1 A 21 21 VAL N N 21 116.838 123.652 -6.814 1
1 156 . 2 1 1 A 22 22 PHE H H 22 8.603 8.765 -0.162 1
1 157 . 2 1 1 A 22 22 PHE HA H 22 4.787 4.970 -0.183 1
1 165 . 2 1 1 A 22 22 PHE C C 22 175.198 175.887 -0.689 1
1 166 . 2 1 1 A 22 22 PHE CA C 22 56.970 56.546 0.424 1
1 167 . 2 1 1 A 22 22 PHE CB C 22 43.313 43.632 -0.319 1
1 173 . 2 1 1 A 22 22 PHE N N 22 121.088 123.314 -2.226 1
1 174 . 2 1 1 A 23 23 SER H H 23 8.908 8.760 0.148 1
1 175 . 2 1 1 A 23 23 SER HA H 23 4.678 4.690 -0.012 1
1 178 . 2 1 1 A 23 23 SER C C 23 174.535 174.878 -0.343 1
1 179 . 2 1 1 A 23 23 SER CA C 23 60.208 60.303 -0.095 1
1 180 . 2 1 1 A 23 23 SER CB C 23 64.284 64.246 0.038 1
1 181 . 2 1 1 A 23 23 SER N N 23 115.507 115.839 -0.332 1
1 182 . 2 1 1 A 24 24 ARG H H 24 7.696 7.561 0.135 1
1 183 . 2 1 1 A 24 24 ARG HA H 24 4.727 4.566 0.161 1
1 190 . 2 1 1 A 24 24 ARG C C 24 176.245 175.661 0.584 1
1 191 . 2 1 1 A 24 24 ARG CA C 24 54.240 54.273 -0.033 1
1 192 . 2 1 1 A 24 24 ARG CB C 24 35.386 32.402 2.984 1
1 195 . 2 1 1 A 24 24 ARG N N 24 117.322 119.216 -1.894 1
1 196 . 2 1 1 A 25 25 LYS H H 25 8.456 8.040 0.416 1
1 197 . 2 1 1 A 25 25 LYS HA H 25 3.035 3.003 0.032 1
1 206 . 2 1 1 A 25 25 LYS C C 25 177.886 177.523 0.363 1
1 207 . 2 1 1 A 25 25 LYS CA C 25 59.309 59.901 -0.592 1
1 208 . 2 1 1 A 25 25 LYS CB C 25 31.983 31.992 -0.009 1
1 212 . 2 1 1 A 25 25 LYS N N 25 125.034 125.590 -0.556 1
1 213 . 2 1 1 A 26 26 ASP H H 26 8.540 8.054 0.486 1
1 214 . 2 1 1 A 26 26 ASP HA H 26 4.142 4.195 -0.053 1
1 217 . 2 1 1 A 26 26 ASP C C 26 178.695 178.401 0.294 1
1 218 . 2 1 1 A 26 26 ASP CA C 26 56.780 57.352 -0.572 1
1 219 . 2 1 1 A 26 26 ASP CB C 26 39.330 41.087 -1.757 1
1 220 . 2 1 1 A 26 26 ASP N N 26 114.989 119.249 -4.260 1
1 221 . 2 1 1 A 27 27 GLN H H 27 6.981 8.218 -1.237 1
1 222 . 2 1 1 A 27 27 GLN HA H 27 3.987 3.943 0.044 1
1 229 . 2 1 1 A 27 27 GLN C C 27 178.473 178.146 0.327 1
1 230 . 2 1 1 A 27 27 GLN CA C 27 57.612 58.805 -1.193 1
1 231 . 2 1 1 A 27 27 GLN CB C 27 28.915 28.456 0.459 1
1 233 . 2 1 1 A 27 27 GLN N N 27 119.394 117.673 1.721 1
1 235 . 2 1 1 A 28 28 LEU H H 28 6.969 7.574 -0.605 1
1 236 . 2 1 1 A 28 28 LEU HA H 28 3.249 2.774 0.475 1
1 246 . 2 1 1 A 28 28 LEU C C 28 177.627 178.364 -0.737 1
1 247 . 2 1 1 A 28 28 LEU CA C 28 57.956 57.476 0.480 1
1 248 . 2 1 1 A 28 28 LEU CB C 28 40.568 41.319 -0.751 1
1 252 . 2 1 1 A 28 28 LEU N N 28 121.993 121.247 0.746 1
1 253 . 2 1 1 A 29 29 VAL H H 29 8.261 7.865 0.396 1
1 254 . 2 1 1 A 29 29 VAL HA H 29 3.704 3.438 0.266 1
1 262 . 2 1 1 A 29 29 VAL C C 29 179.259 177.757 1.502 1
1 263 . 2 1 1 A 29 29 VAL CA C 29 66.532 66.829 -0.297 1
1 264 . 2 1 1 A 29 29 VAL CB C 29 31.765 31.551 0.214 1
1 267 . 2 1 1 A 29 29 VAL N N 29 119.585 119.665 -0.080 1
1 268 . 2 1 1 A 30 30 SER H H 30 7.721 7.787 -0.066 1
1 269 . 2 1 1 A 30 30 SER HA H 30 4.104 4.030 0.074 1
1 272 . 2 1 1 A 30 30 SER C C 30 177.207 175.957 1.250 1
1 273 . 2 1 1 A 30 30 SER CA C 30 61.647 62.358 -0.711 1
1 274 . 2 1 1 A 30 30 SER CB C 30 62.575 63.116 -0.541 1
1 275 . 2 1 1 A 30 30 SER N N 30 113.762 115.779 -2.017 1
1 276 . 2 1 1 A 31 31 HIS H H 31 7.676 7.595 0.081 1
1 277 . 2 1 1 A 31 31 HIS HA H 31 4.271 4.247 0.024 1
1 282 . 2 1 1 A 31 31 HIS C C 31 177.982 176.606 1.376 1
1 283 . 2 1 1 A 31 31 HIS CA C 31 59.051 59.636 -0.585 1
1 284 . 2 1 1 A 31 31 HIS CB C 31 28.436 29.924 -1.488 1
1 287 . 2 1 1 A 31 31 HIS N N 31 120.492 121.458 -0.966 1
1 288 . 2 1 1 A 32 32 GLN H H 32 8.881 8.510 0.371 1
1 289 . 2 1 1 A 32 32 GLN HA H 32 3.718 3.804 -0.086 1
1 296 . 2 1 1 A 32 32 GLN C C 32 177.983 178.680 -0.697 1
1 297 . 2 1 1 A 32 32 GLN CA C 32 59.912 59.136 0.776 1
1 298 . 2 1 1 A 32 32 GLN CB C 32 28.124 28.338 -0.214 1
1 300 . 2 1 1 A 32 32 GLN N N 32 120.621 116.915 3.706 1
1 302 . 2 1 1 A 33 33 LYS H H 33 7.245 7.627 -0.382 1
1 303 . 2 1 1 A 33 33 LYS HA H 33 4.151 3.894 0.257 1
1 312 . 2 1 1 A 33 33 LYS C C 33 178.380 178.490 -0.110 1
1 313 . 2 1 1 A 33 33 LYS CA C 33 58.671 59.262 -0.591 1
1 314 . 2 1 1 A 33 33 LYS CB C 33 32.152 32.311 -0.159 1
1 318 . 2 1 1 A 33 33 LYS N N 33 117.710 119.301 -1.591 1
1 319 . 2 1 1 A 34 34 THR H H 34 7.753 8.383 -0.630 1
1 320 . 2 1 1 A 34 34 THR HA H 34 4.151 4.054 0.097 1
1 325 . 2 1 1 A 34 34 THR C C 34 175.449 175.167 0.282 1
1 326 . 2 1 1 A 34 34 THR CA C 34 63.751 65.260 -1.509 1
1 327 . 2 1 1 A 34 34 THR CB C 34 69.354 67.925 1.429 1
1 329 . 2 1 1 A 34 34 THR N N 34 109.516 112.460 -2.944 1
1 330 . 2 1 1 A 35 35 HIS H H 35 7.153 7.723 -0.570 1
1 331 . 2 1 1 A 35 35 HIS HA H 35 4.874 4.551 0.323 1
1 336 . 2 1 1 A 35 35 HIS C C 35 175.240 174.492 0.748 1
1 337 . 2 1 1 A 35 35 HIS CA C 35 55.228 56.448 -1.220 1
1 338 . 2 1 1 A 35 35 HIS CB C 35 28.899 29.803 -0.904 1
1 341 . 2 1 1 A 35 35 HIS N N 35 118.672 120.813 -2.141 1
1 342 . 2 1 1 A 36 36 SER H H 36 7.936 8.662 -0.726 1
1 345 . 2 1 1 A 36 36 SER C C 36 175.155 173.473 1.682 1
1 346 . 2 1 1 A 36 36 SER CA C 36 58.865 57.096 1.769 1
1 347 . 2 1 1 A 36 36 SER CB C 36 63.926 63.003 0.923 1
1 348 . 2 1 1 A 36 36 SER N N 36 115.177 120.837 -5.660 1
1 349 . 2 1 1 A 37 37 GLY HA2 H 37 4.000 4.033 -0.033 1
1 350 . 2 1 1 A 37 37 GLY HA3 H 37 3.924 4.036 -0.112 1
1 351 . 2 1 1 A 37 37 GLY C C 37 174.151 173.362 0.789 1
1 352 . 2 1 1 A 37 37 GLY CA C 37 45.327 45.530 -0.203 1
1 353 . 2 1 1 A 38 38 GLN H H 38 8.214 8.355 -0.141 1
1 354 . 2 1 1 A 38 38 GLN HA H 38 4.419 4.566 -0.147 1
1 360 . 2 1 1 A 38 38 GLN C C 38 176.047 174.569 1.478 1
1 361 . 2 1 1 A 38 38 GLN CA C 38 55.808 54.952 0.856 1
1 362 . 2 1 1 A 38 38 GLN CB C 38 29.587 28.477 1.110 1
1 364 . 2 1 1 A 38 38 GLN N N 38 119.770 122.535 -2.765 1
1 366 . 2 1 1 A 39 39 SER H H 39 8.420 8.545 -0.125 1
1 367 . 2 1 1 A 39 39 SER HA H 39 4.510 5.058 -0.548 1
1 370 . 2 1 1 A 39 39 SER C C 39 174.504 173.303 1.201 1
1 371 . 2 1 1 A 39 39 SER CA C 39 58.371 57.405 0.966 1
1 372 . 2 1 1 A 39 39 SER CB C 39 64.007 66.352 -2.345 1
1 373 . 2 1 1 A 39 39 SER N N 39 117.120 119.200 -2.080 1
1 374 . 2 1 1 A 40 40 GLY H H 40 8.269 8.983 -0.714 1
1 375 . 2 1 1 A 40 40 GLY HA2 H 40 4.108 4.282 -0.174 1
1 376 . 2 1 1 A 40 40 GLY HA3 H 40 4.182 4.282 -0.100 1
1 377 . 2 1 1 A 40 40 GLY C C 40 171.768 172.814 -1.046 1
1 378 . 2 1 1 A 40 40 GLY CA C 40 44.645 46.201 -1.556 1
1 379 . 2 1 1 A 40 40 GLY N N 40 110.759 109.757 1.002 1
1 380 . 2 1 1 A 41 41 PRO HA H 41 4.490 4.621 -0.131 1
1 387 . 2 1 1 A 41 41 PRO C C 41 177.377 175.693 1.684 1
1 388 . 2 1 1 A 41 41 PRO CA C 41 63.244 62.556 0.688 1
1 389 . 2 1 1 A 41 41 PRO CB C 41 32.185 30.301 1.884 1
1 392 . 2 1 1 A 42 42 SER H H 42 8.514 8.225 0.289 1
1 393 . 2 1 1 A 42 42 SER C C 42 174.655 173.552 1.103 1
1 394 . 2 1 1 A 42 42 SER CA C 42 58.447 56.972 1.475 1
1 395 . 2 1 1 A 42 42 SER CB C 42 64.027 64.004 0.023 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 4.008 3.965 0.043 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.008 3.965 0.043 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.487 174.977 -0.490 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.536 46.423 -0.887 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.161 8.079 0.082 1
1 6 . 3 1 1 A 8 8 THR HA H 8 4.393 3.905 0.488 1
1 11 . 3 1 1 A 8 8 THR C C 8 175.248 174.733 0.515 1
1 12 . 3 1 1 A 8 8 THR CA C 8 61.821 66.314 -4.493 1
1 13 . 3 1 1 A 8 8 THR CB C 8 69.873 68.665 1.208 1
1 15 . 3 1 1 A 8 8 THR N N 8 112.733 112.259 0.474 1
1 16 . 3 1 1 A 9 9 GLY H H 9 8.469 7.411 1.058 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 4.008 4.033 -0.025 1
1 18 . 3 1 1 A 9 9 GLY HA3 H 9 4.008 4.034 -0.026 1
1 19 . 3 1 1 A 9 9 GLY C C 9 174.052 171.445 2.607 1
1 20 . 3 1 1 A 9 9 GLY CA C 9 45.528 45.663 -0.135 1
1 21 . 3 1 1 A 9 9 GLY N N 9 111.035 105.329 5.706 1
1 22 . 3 1 1 A 10 10 GLU H H 10 8.214 8.587 -0.373 1
1 23 . 3 1 1 A 10 10 GLU HA H 10 4.246 4.946 -0.700 1
1 28 . 3 1 1 A 10 10 GLU C C 10 175.942 174.958 0.984 1
1 29 . 3 1 1 A 10 10 GLU CA C 10 56.603 55.333 1.270 1
1 30 . 3 1 1 A 10 10 GLU CB C 10 30.592 30.482 0.110 1
1 32 . 3 1 1 A 10 10 GLU N N 10 119.967 120.474 -0.507 1
1 33 . 3 1 1 A 11 11 ASN H H 11 8.407 8.268 0.139 1
1 34 . 3 1 1 A 11 11 ASN HA H 11 4.947 5.198 -0.251 1
1 39 . 3 1 1 A 11 11 ASN C C 11 172.759 174.828 -2.069 1
1 40 . 3 1 1 A 11 11 ASN CA C 11 51.229 50.816 0.413 1
1 41 . 3 1 1 A 11 11 ASN CB C 11 39.486 38.359 1.127 1
1 42 . 3 1 1 A 11 11 ASN N N 11 119.687 122.957 -3.270 1
1 44 . 3 1 1 A 12 12 PRO HA H 12 4.295 4.387 -0.092 1
1 51 . 3 1 1 A 12 12 PRO C C 12 176.280 175.790 0.490 1
1 52 . 3 1 1 A 12 12 PRO CA C 12 63.512 64.385 -0.873 1
1 53 . 3 1 1 A 12 12 PRO CB C 12 32.183 31.495 0.688 1
1 56 . 3 1 1 A 13 13 TYR H H 13 8.160 7.626 0.534 1
1 57 . 3 1 1 A 13 13 TYR HA H 13 4.694 5.227 -0.533 1
1 64 . 3 1 1 A 13 13 TYR C C 13 173.960 174.147 -0.187 1
1 65 . 3 1 1 A 13 13 TYR CA C 13 56.912 56.624 0.288 1
1 66 . 3 1 1 A 13 13 TYR CB C 13 38.357 40.255 -1.898 1
1 71 . 3 1 1 A 13 13 TYR N N 13 118.775 118.254 0.521 1
1 72 . 3 1 1 A 14 14 GLU H H 14 8.335 9.110 -0.775 1
1 73 . 3 1 1 A 14 14 GLU HA H 14 5.017 5.189 -0.172 1
1 78 . 3 1 1 A 14 14 GLU C C 14 175.182 175.642 -0.460 1
1 79 . 3 1 1 A 14 14 GLU CA C 14 54.455 54.797 -0.342 1
1 80 . 3 1 1 A 14 14 GLU CB C 14 33.214 32.802 0.412 1
1 82 . 3 1 1 A 14 14 GLU N N 14 123.792 125.788 -1.996 1
1 83 . 3 1 1 A 15 15 CYS H H 15 9.398 9.297 0.101 1
1 84 . 3 1 1 A 15 15 CYS HA H 15 4.648 4.450 0.198 1
1 87 . 3 1 1 A 15 15 CYS C C 15 177.220 176.177 1.043 1
1 88 . 3 1 1 A 15 15 CYS CA C 15 59.337 60.123 -0.786 1
1 89 . 3 1 1 A 15 15 CYS CB C 15 29.644 28.932 0.712 1
1 90 . 3 1 1 A 15 15 CYS N N 15 127.444 125.828 1.616 1
1 91 . 3 1 1 A 16 16 CYS H H 16 9.319 8.853 0.466 1
1 92 . 3 1 1 A 16 16 CYS HA H 16 4.475 4.362 0.113 1
1 95 . 3 1 1 A 16 16 CYS C C 16 174.596 176.799 -2.203 1
1 96 . 3 1 1 A 16 16 CYS CA C 16 60.515 61.022 -0.507 1
1 97 . 3 1 1 A 16 16 CYS CB C 16 27.201 28.053 -0.852 1
1 98 . 3 1 1 A 16 16 CYS N N 16 130.435 126.837 3.598 1
1 99 . 3 1 1 A 17 17 GLU H H 17 8.688 8.289 0.399 1
1 100 . 3 1 1 A 17 17 GLU HA H 17 4.287 3.950 0.337 1
1 105 . 3 1 1 A 17 17 GLU C C 17 177.134 177.948 -0.814 1
1 106 . 3 1 1 A 17 17 GLU CA C 17 58.287 59.522 -1.235 1
1 107 . 3 1 1 A 17 17 GLU CB C 17 29.747 28.903 0.844 1
1 109 . 3 1 1 A 17 17 GLU N N 17 122.479 121.408 1.071 1
1 110 . 3 1 1 A 18 18 CYS H H 18 7.912 7.399 0.513 1
1 111 . 3 1 1 A 18 18 CYS HA H 18 5.182 4.606 0.576 1
1 114 . 3 1 1 A 18 18 CYS C C 18 176.224 175.274 0.950 1
1 115 . 3 1 1 A 18 18 CYS CA C 18 58.452 59.678 -1.226 1
1 116 . 3 1 1 A 18 18 CYS CB C 18 32.577 29.789 2.788 1
1 117 . 3 1 1 A 18 18 CYS N N 18 114.583 114.758 -0.175 1
1 118 . 3 1 1 A 19 19 GLY H H 19 8.302 8.019 0.283 1
1 119 . 3 1 1 A 19 19 GLY HA2 H 19 3.918 4.082 -0.164 1
1 120 . 3 1 1 A 19 19 GLY HA3 H 19 4.235 4.097 0.138 1
1 121 . 3 1 1 A 19 19 GLY C C 19 173.879 174.477 -0.598 1
1 122 . 3 1 1 A 19 19 GLY CA C 19 46.133 45.090 1.043 1
1 123 . 3 1 1 A 19 19 GLY N N 19 113.493 110.109 3.384 1
1 124 . 3 1 1 A 20 20 LYS H H 20 7.918 7.611 0.307 1
1 125 . 3 1 1 A 20 20 LYS HA H 20 4.006 4.397 -0.391 1
1 134 . 3 1 1 A 20 20 LYS C C 20 174.253 175.364 -1.111 1
1 135 . 3 1 1 A 20 20 LYS CA C 20 58.177 55.753 2.424 1
1 136 . 3 1 1 A 20 20 LYS CB C 20 33.916 33.695 0.221 1
1 140 . 3 1 1 A 20 20 LYS N N 20 122.419 121.957 0.462 1
1 141 . 3 1 1 A 21 21 VAL H H 21 7.565 8.238 -0.673 1
1 142 . 3 1 1 A 21 21 VAL HA H 21 4.798 5.181 -0.383 1
1 150 . 3 1 1 A 21 21 VAL C C 21 175.151 174.472 0.679 1
1 151 . 3 1 1 A 21 21 VAL CA C 21 60.194 60.623 -0.429 1
1 152 . 3 1 1 A 21 21 VAL CB C 21 34.074 34.466 -0.392 1
1 155 . 3 1 1 A 21 21 VAL N N 21 116.838 125.233 -8.395 1
1 156 . 3 1 1 A 22 22 PHE H H 22 8.603 8.745 -0.142 1
1 157 . 3 1 1 A 22 22 PHE HA H 22 4.787 5.032 -0.245 1
1 165 . 3 1 1 A 22 22 PHE C C 22 175.198 175.346 -0.148 1
1 166 . 3 1 1 A 22 22 PHE CA C 22 56.970 56.645 0.325 1
1 167 . 3 1 1 A 22 22 PHE CB C 22 43.313 44.166 -0.853 1
1 173 . 3 1 1 A 22 22 PHE N N 22 121.088 122.966 -1.878 1
1 174 . 3 1 1 A 23 23 SER H H 23 8.908 8.986 -0.078 1
1 175 . 3 1 1 A 23 23 SER HA H 23 4.678 4.788 -0.110 1
1 178 . 3 1 1 A 23 23 SER C C 23 174.535 174.256 0.279 1
1 179 . 3 1 1 A 23 23 SER CA C 23 60.208 59.681 0.527 1
1 180 . 3 1 1 A 23 23 SER CB C 23 64.284 64.754 -0.470 1
1 181 . 3 1 1 A 23 23 SER N N 23 115.507 115.506 0.001 1
1 182 . 3 1 1 A 24 24 ARG H H 24 7.696 7.767 -0.071 1
1 183 . 3 1 1 A 24 24 ARG HA H 24 4.727 4.608 0.119 1
1 190 . 3 1 1 A 24 24 ARG C C 24 176.245 175.875 0.370 1
1 191 . 3 1 1 A 24 24 ARG CA C 24 54.240 54.245 -0.005 1
1 192 . 3 1 1 A 24 24 ARG CB C 24 35.386 32.547 2.839 1
1 195 . 3 1 1 A 24 24 ARG N N 24 117.322 119.377 -2.055 1
1 196 . 3 1 1 A 25 25 LYS H H 25 8.456 8.268 0.188 1
1 197 . 3 1 1 A 25 25 LYS HA H 25 3.035 2.981 0.054 1
1 206 . 3 1 1 A 25 25 LYS C C 25 177.886 177.539 0.347 1
1 207 . 3 1 1 A 25 25 LYS CA C 25 59.309 59.804 -0.495 1
1 208 . 3 1 1 A 25 25 LYS CB C 25 31.983 31.830 0.153 1
1 212 . 3 1 1 A 25 25 LYS N N 25 125.034 125.493 -0.459 1
1 213 . 3 1 1 A 26 26 ASP H H 26 8.540 8.202 0.338 1
1 214 . 3 1 1 A 26 26 ASP HA H 26 4.142 4.170 -0.028 1
1 217 . 3 1 1 A 26 26 ASP C C 26 178.695 178.844 -0.149 1
1 218 . 3 1 1 A 26 26 ASP CA C 26 56.780 57.398 -0.618 1
1 219 . 3 1 1 A 26 26 ASP CB C 26 39.330 39.984 -0.654 1
1 220 . 3 1 1 A 26 26 ASP N N 26 114.989 119.187 -4.198 1
1 221 . 3 1 1 A 27 27 GLN H H 27 6.981 8.185 -1.204 1
1 222 . 3 1 1 A 27 27 GLN HA H 27 3.987 4.010 -0.023 1
1 229 . 3 1 1 A 27 27 GLN C C 27 178.473 178.045 0.428 1
1 230 . 3 1 1 A 27 27 GLN CA C 27 57.612 58.231 -0.619 1
1 231 . 3 1 1 A 27 27 GLN CB C 27 28.915 28.495 0.420 1
1 233 . 3 1 1 A 27 27 GLN N N 27 119.394 118.011 1.383 1
1 235 . 3 1 1 A 28 28 LEU H H 28 6.969 7.777 -0.808 1
1 236 . 3 1 1 A 28 28 LEU HA H 28 3.249 2.756 0.493 1
1 246 . 3 1 1 A 28 28 LEU C C 28 177.627 178.179 -0.552 1
1 247 . 3 1 1 A 28 28 LEU CA C 28 57.956 57.039 0.917 1
1 248 . 3 1 1 A 28 28 LEU CB C 28 40.568 41.694 -1.126 1
1 252 . 3 1 1 A 28 28 LEU N N 28 121.993 121.703 0.290 1
1 253 . 3 1 1 A 29 29 VAL H H 29 8.261 8.055 0.206 1
1 254 . 3 1 1 A 29 29 VAL HA H 29 3.704 3.394 0.310 1
1 262 . 3 1 1 A 29 29 VAL C C 29 179.259 178.192 1.067 1
1 263 . 3 1 1 A 29 29 VAL CA C 29 66.532 66.906 -0.374 1
1 264 . 3 1 1 A 29 29 VAL CB C 29 31.765 31.532 0.233 1
1 267 . 3 1 1 A 29 29 VAL N N 29 119.585 119.302 0.283 1
1 268 . 3 1 1 A 30 30 SER H H 30 7.721 7.769 -0.048 1
1 269 . 3 1 1 A 30 30 SER HA H 30 4.104 4.031 0.073 1
1 272 . 3 1 1 A 30 30 SER C C 30 177.207 176.782 0.425 1
1 273 . 3 1 1 A 30 30 SER CA C 30 61.647 61.061 0.586 1
1 274 . 3 1 1 A 30 30 SER CB C 30 62.575 63.035 -0.460 1
1 275 . 3 1 1 A 30 30 SER N N 30 113.762 115.065 -1.303 1
1 276 . 3 1 1 A 31 31 HIS H H 31 7.676 7.606 0.070 1
1 277 . 3 1 1 A 31 31 HIS HA H 31 4.271 4.298 -0.027 1
1 282 . 3 1 1 A 31 31 HIS C C 31 177.982 177.117 0.865 1
1 283 . 3 1 1 A 31 31 HIS CA C 31 59.051 59.490 -0.439 1
1 284 . 3 1 1 A 31 31 HIS CB C 31 28.436 29.946 -1.510 1
1 287 . 3 1 1 A 31 31 HIS N N 31 120.492 120.559 -0.067 1
1 288 . 3 1 1 A 32 32 GLN H H 32 8.881 8.676 0.205 1
1 289 . 3 1 1 A 32 32 GLN HA H 32 3.718 3.802 -0.084 1
1 296 . 3 1 1 A 32 32 GLN C C 32 177.983 177.900 0.083 1
1 297 . 3 1 1 A 32 32 GLN CA C 32 59.912 58.786 1.126 1
1 298 . 3 1 1 A 32 32 GLN CB C 32 28.124 28.124 0.000 1
1 300 . 3 1 1 A 32 32 GLN N N 32 120.621 118.034 2.587 1
1 302 . 3 1 1 A 33 33 LYS H H 33 7.245 7.612 -0.367 1
1 303 . 3 1 1 A 33 33 LYS HA H 33 4.151 4.208 -0.057 1
1 312 . 3 1 1 A 33 33 LYS C C 33 178.380 177.542 0.838 1
1 313 . 3 1 1 A 33 33 LYS CA C 33 58.671 57.524 1.147 1
1 314 . 3 1 1 A 33 33 LYS CB C 33 32.152 31.890 0.262 1
1 318 . 3 1 1 A 33 33 LYS N N 33 117.710 117.476 0.234 1
1 319 . 3 1 1 A 34 34 THR H H 34 7.753 7.756 -0.003 1
1 320 . 3 1 1 A 34 34 THR HA H 34 4.151 4.392 -0.241 1
1 325 . 3 1 1 A 34 34 THR C C 34 175.449 174.670 0.779 1
1 326 . 3 1 1 A 34 34 THR CA C 34 63.751 62.411 1.340 1
1 327 . 3 1 1 A 34 34 THR CB C 34 69.354 69.878 -0.524 1
1 329 . 3 1 1 A 34 34 THR N N 34 109.516 109.253 0.263 1
1 330 . 3 1 1 A 35 35 HIS H H 35 7.153 7.414 -0.261 1
1 331 . 3 1 1 A 35 35 HIS HA H 35 4.874 4.613 0.261 1
1 336 . 3 1 1 A 35 35 HIS C C 35 175.240 174.210 1.030 1
1 337 . 3 1 1 A 35 35 HIS CA C 35 55.228 54.827 0.401 1
1 338 . 3 1 1 A 35 35 HIS CB C 35 28.899 27.950 0.949 1
1 341 . 3 1 1 A 35 35 HIS N N 35 118.672 121.533 -2.861 1
1 342 . 3 1 1 A 36 36 SER H H 36 7.936 8.328 -0.392 1
1 345 . 3 1 1 A 36 36 SER C C 36 175.155 172.969 2.186 1
1 346 . 3 1 1 A 36 36 SER CA C 36 58.865 57.123 1.742 1
1 347 . 3 1 1 A 36 36 SER CB C 36 63.926 65.527 -1.601 1
1 348 . 3 1 1 A 36 36 SER N N 36 115.177 118.701 -3.524 1
1 349 . 3 1 1 A 37 37 GLY HA2 H 37 4.000 4.133 -0.133 1
1 350 . 3 1 1 A 37 37 GLY HA3 H 37 3.924 4.135 -0.211 1
1 351 . 3 1 1 A 37 37 GLY C C 37 174.151 172.410 1.741 1
1 352 . 3 1 1 A 37 37 GLY CA C 37 45.327 44.129 1.198 1
1 353 . 3 1 1 A 38 38 GLN H H 38 8.214 8.404 -0.190 1
1 354 . 3 1 1 A 38 38 GLN HA H 38 4.419 4.946 -0.527 1
1 360 . 3 1 1 A 38 38 GLN C C 38 176.047 175.095 0.952 1
1 361 . 3 1 1 A 38 38 GLN CA C 38 55.808 53.939 1.869 1
1 362 . 3 1 1 A 38 38 GLN CB C 38 29.587 32.670 -3.083 1
1 364 . 3 1 1 A 38 38 GLN N N 38 119.770 118.394 1.376 1
1 366 . 3 1 1 A 39 39 SER H H 39 8.420 8.750 -0.330 1
1 367 . 3 1 1 A 39 39 SER HA H 39 4.510 4.216 0.294 1
1 370 . 3 1 1 A 39 39 SER C C 39 174.504 175.214 -0.710 1
1 371 . 3 1 1 A 39 39 SER CA C 39 58.371 59.945 -1.574 1
1 372 . 3 1 1 A 39 39 SER CB C 39 64.007 62.383 1.624 1
1 373 . 3 1 1 A 39 39 SER N N 39 117.120 119.906 -2.786 1
1 374 . 3 1 1 A 40 40 GLY H H 40 8.269 8.842 -0.573 1
1 375 . 3 1 1 A 40 40 GLY HA2 H 40 4.108 4.151 -0.043 1
1 376 . 3 1 1 A 40 40 GLY HA3 H 40 4.182 4.151 0.031 1
1 377 . 3 1 1 A 40 40 GLY C C 40 171.768 174.611 -2.843 1
1 378 . 3 1 1 A 40 40 GLY CA C 40 44.645 45.576 -0.931 1
1 379 . 3 1 1 A 40 40 GLY N N 40 110.759 114.862 -4.103 1
1 380 . 3 1 1 A 41 41 PRO HA H 41 4.490 4.619 -0.129 1
1 387 . 3 1 1 A 41 41 PRO C C 41 177.377 177.915 -0.538 1
1 388 . 3 1 1 A 41 41 PRO CA C 41 63.244 62.599 0.645 1
1 389 . 3 1 1 A 41 41 PRO CB C 41 32.185 32.718 -0.533 1
1 392 . 3 1 1 A 42 42 SER H H 42 8.514 8.937 -0.423 1
1 393 . 3 1 1 A 42 42 SER C C 42 174.655 175.039 -0.384 1
1 394 . 3 1 1 A 42 42 SER CA C 42 58.447 61.226 -2.779 1
1 395 . 3 1 1 A 42 42 SER CB C 42 64.027 62.935 1.092 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 4.008 3.965 0.043 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.008 3.965 0.043 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.487 174.036 0.451 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.536 46.572 -1.036 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.161 7.744 0.417 1
1 6 . 4 1 1 A 8 8 THR HA H 8 4.393 4.837 -0.444 1
1 11 . 4 1 1 A 8 8 THR C C 8 175.248 174.352 0.896 1
1 12 . 4 1 1 A 8 8 THR CA C 8 61.821 59.840 1.981 1
1 13 . 4 1 1 A 8 8 THR CB C 8 69.873 71.540 -1.667 1
1 15 . 4 1 1 A 8 8 THR N N 8 112.733 113.756 -1.023 1
1 16 . 4 1 1 A 9 9 GLY H H 9 8.469 8.927 -0.458 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 4.008 3.881 0.127 1
1 18 . 4 1 1 A 9 9 GLY HA3 H 9 4.008 3.883 0.125 1
1 19 . 4 1 1 A 9 9 GLY C C 9 174.052 174.433 -0.381 1
1 20 . 4 1 1 A 9 9 GLY CA C 9 45.528 47.013 -1.485 1
1 21 . 4 1 1 A 9 9 GLY N N 9 111.035 115.752 -4.717 1
1 22 . 4 1 1 A 10 10 GLU H H 10 8.214 8.184 0.030 1
1 23 . 4 1 1 A 10 10 GLU HA H 10 4.246 4.280 -0.034 1
1 28 . 4 1 1 A 10 10 GLU C C 10 175.942 176.085 -0.143 1
1 29 . 4 1 1 A 10 10 GLU CA C 10 56.603 56.755 -0.152 1
1 30 . 4 1 1 A 10 10 GLU CB C 10 30.592 30.592 0.000 1
1 32 . 4 1 1 A 10 10 GLU N N 10 119.967 120.109 -0.142 1
1 33 . 4 1 1 A 11 11 ASN H H 11 8.407 8.516 -0.109 1
1 34 . 4 1 1 A 11 11 ASN HA H 11 4.947 5.477 -0.530 1
1 39 . 4 1 1 A 11 11 ASN C C 11 172.759 174.086 -1.327 1
1 40 . 4 1 1 A 11 11 ASN CA C 11 51.229 50.491 0.738 1
1 41 . 4 1 1 A 11 11 ASN CB C 11 39.486 39.351 0.135 1
1 42 . 4 1 1 A 11 11 ASN N N 11 119.687 124.621 -4.934 1
1 44 . 4 1 1 A 12 12 PRO HA H 12 4.295 4.376 -0.081 1
1 51 . 4 1 1 A 12 12 PRO C C 12 176.280 175.653 0.627 1
1 52 . 4 1 1 A 12 12 PRO CA C 12 63.512 64.047 -0.535 1
1 53 . 4 1 1 A 12 12 PRO CB C 12 32.183 31.471 0.712 1
1 56 . 4 1 1 A 13 13 TYR H H 13 8.160 7.544 0.616 1
1 57 . 4 1 1 A 13 13 TYR HA H 13 4.694 5.227 -0.533 1
1 64 . 4 1 1 A 13 13 TYR C C 13 173.960 174.131 -0.171 1
1 65 . 4 1 1 A 13 13 TYR CA C 13 56.912 56.515 0.397 1
1 66 . 4 1 1 A 13 13 TYR CB C 13 38.357 40.694 -2.337 1
1 71 . 4 1 1 A 13 13 TYR N N 13 118.775 118.556 0.219 1
1 72 . 4 1 1 A 14 14 GLU H H 14 8.335 9.089 -0.754 1
1 73 . 4 1 1 A 14 14 GLU HA H 14 5.017 5.231 -0.214 1
1 78 . 4 1 1 A 14 14 GLU C C 14 175.182 175.619 -0.437 1
1 79 . 4 1 1 A 14 14 GLU CA C 14 54.455 54.816 -0.361 1
1 80 . 4 1 1 A 14 14 GLU CB C 14 33.214 33.260 -0.046 1
1 82 . 4 1 1 A 14 14 GLU N N 14 123.792 125.673 -1.881 1
1 83 . 4 1 1 A 15 15 CYS H H 15 9.398 9.284 0.114 1
1 84 . 4 1 1 A 15 15 CYS HA H 15 4.648 4.505 0.143 1
1 87 . 4 1 1 A 15 15 CYS C C 15 177.220 174.793 2.427 1
1 88 . 4 1 1 A 15 15 CYS CA C 15 59.337 59.977 -0.640 1
1 89 . 4 1 1 A 15 15 CYS CB C 15 29.644 28.357 1.287 1
1 90 . 4 1 1 A 15 15 CYS N N 15 127.444 125.030 2.414 1
1 91 . 4 1 1 A 16 16 CYS H H 16 9.319 8.963 0.356 1
1 92 . 4 1 1 A 16 16 CYS HA H 16 4.475 4.495 -0.020 1
1 95 . 4 1 1 A 16 16 CYS C C 16 174.596 176.639 -2.043 1
1 96 . 4 1 1 A 16 16 CYS CA C 16 60.515 59.873 0.642 1
1 97 . 4 1 1 A 16 16 CYS CB C 16 27.201 28.876 -1.675 1
1 98 . 4 1 1 A 16 16 CYS N N 16 130.435 125.221 5.214 1
1 99 . 4 1 1 A 17 17 GLU H H 17 8.688 7.918 0.770 1
1 100 . 4 1 1 A 17 17 GLU HA H 17 4.287 3.924 0.363 1
1 105 . 4 1 1 A 17 17 GLU C C 17 177.134 178.153 -1.019 1
1 106 . 4 1 1 A 17 17 GLU CA C 17 58.287 59.243 -0.956 1
1 107 . 4 1 1 A 17 17 GLU CB C 17 29.747 28.855 0.892 1
1 109 . 4 1 1 A 17 17 GLU N N 17 122.479 121.406 1.073 1
1 110 . 4 1 1 A 18 18 CYS H H 18 7.912 7.455 0.457 1
1 111 . 4 1 1 A 18 18 CYS HA H 18 5.182 4.633 0.549 1
1 114 . 4 1 1 A 18 18 CYS C C 18 176.224 175.550 0.674 1
1 115 . 4 1 1 A 18 18 CYS CA C 18 58.452 59.260 -0.808 1
1 116 . 4 1 1 A 18 18 CYS CB C 18 32.577 30.370 2.207 1
1 117 . 4 1 1 A 18 18 CYS N N 18 114.583 114.818 -0.235 1
1 118 . 4 1 1 A 19 19 GLY H H 19 8.302 8.314 -0.012 1
1 119 . 4 1 1 A 19 19 GLY HA2 H 19 3.918 4.060 -0.142 1
1 120 . 4 1 1 A 19 19 GLY HA3 H 19 4.235 4.074 0.161 1
1 121 . 4 1 1 A 19 19 GLY C C 19 173.879 174.589 -0.710 1
1 122 . 4 1 1 A 19 19 GLY CA C 19 46.133 45.254 0.879 1
1 123 . 4 1 1 A 19 19 GLY N N 19 113.493 110.076 3.417 1
1 124 . 4 1 1 A 20 20 LYS H H 20 7.918 7.385 0.533 1
1 125 . 4 1 1 A 20 20 LYS HA H 20 4.006 4.492 -0.486 1
1 134 . 4 1 1 A 20 20 LYS C C 20 174.253 175.665 -1.412 1
1 135 . 4 1 1 A 20 20 LYS CA C 20 58.177 55.856 2.321 1
1 136 . 4 1 1 A 20 20 LYS CB C 20 33.916 33.904 0.012 1
1 140 . 4 1 1 A 20 20 LYS N N 20 122.419 119.842 2.577 1
1 141 . 4 1 1 A 21 21 VAL H H 21 7.565 8.178 -0.613 1
1 142 . 4 1 1 A 21 21 VAL HA H 21 4.798 5.106 -0.308 1
1 150 . 4 1 1 A 21 21 VAL C C 21 175.151 174.336 0.815 1
1 151 . 4 1 1 A 21 21 VAL CA C 21 60.194 60.421 -0.227 1
1 152 . 4 1 1 A 21 21 VAL CB C 21 34.074 35.570 -1.496 1
1 155 . 4 1 1 A 21 21 VAL N N 21 116.838 120.176 -3.338 1
1 156 . 4 1 1 A 22 22 PHE H H 22 8.603 8.674 -0.071 1
1 157 . 4 1 1 A 22 22 PHE HA H 22 4.787 4.967 -0.180 1
1 165 . 4 1 1 A 22 22 PHE C C 22 175.198 175.153 0.045 1
1 166 . 4 1 1 A 22 22 PHE CA C 22 56.970 56.691 0.279 1
1 167 . 4 1 1 A 22 22 PHE CB C 22 43.313 44.113 -0.800 1
1 173 . 4 1 1 A 22 22 PHE N N 22 121.088 123.080 -1.992 1
1 174 . 4 1 1 A 23 23 SER H H 23 8.908 8.984 -0.076 1
1 175 . 4 1 1 A 23 23 SER HA H 23 4.678 4.703 -0.025 1
1 178 . 4 1 1 A 23 23 SER C C 23 174.535 174.094 0.441 1
1 179 . 4 1 1 A 23 23 SER CA C 23 60.208 60.411 -0.203 1
1 180 . 4 1 1 A 23 23 SER CB C 23 64.284 64.605 -0.321 1
1 181 . 4 1 1 A 23 23 SER N N 23 115.507 115.855 -0.348 1
1 182 . 4 1 1 A 24 24 ARG H H 24 7.696 7.935 -0.239 1
1 183 . 4 1 1 A 24 24 ARG HA H 24 4.727 4.420 0.307 1
1 190 . 4 1 1 A 24 24 ARG C C 24 176.245 175.749 0.496 1
1 191 . 4 1 1 A 24 24 ARG CA C 24 54.240 54.214 0.026 1
1 192 . 4 1 1 A 24 24 ARG CB C 24 35.386 32.922 2.464 1
1 195 . 4 1 1 A 24 24 ARG N N 24 117.322 119.250 -1.928 1
1 196 . 4 1 1 A 25 25 LYS H H 25 8.456 8.094 0.362 1
1 197 . 4 1 1 A 25 25 LYS HA H 25 3.035 3.255 -0.220 1
1 206 . 4 1 1 A 25 25 LYS C C 25 177.886 177.654 0.232 1
1 207 . 4 1 1 A 25 25 LYS CA C 25 59.309 60.088 -0.779 1
1 208 . 4 1 1 A 25 25 LYS CB C 25 31.983 31.870 0.113 1
1 212 . 4 1 1 A 25 25 LYS N N 25 125.034 124.604 0.430 1
1 213 . 4 1 1 A 26 26 ASP H H 26 8.540 8.044 0.496 1
1 214 . 4 1 1 A 26 26 ASP HA H 26 4.142 4.208 -0.066 1
1 217 . 4 1 1 A 26 26 ASP C C 26 178.695 178.568 0.127 1
1 218 . 4 1 1 A 26 26 ASP CA C 26 56.780 57.365 -0.585 1
1 219 . 4 1 1 A 26 26 ASP CB C 26 39.330 41.126 -1.796 1
1 220 . 4 1 1 A 26 26 ASP N N 26 114.989 119.177 -4.188 1
1 221 . 4 1 1 A 27 27 GLN H H 27 6.981 7.970 -0.989 1
1 222 . 4 1 1 A 27 27 GLN HA H 27 3.987 3.994 -0.007 1
1 229 . 4 1 1 A 27 27 GLN C C 27 178.473 177.876 0.597 1
1 230 . 4 1 1 A 27 27 GLN CA C 27 57.612 58.481 -0.869 1
1 231 . 4 1 1 A 27 27 GLN CB C 27 28.915 28.227 0.688 1
1 233 . 4 1 1 A 27 27 GLN N N 27 119.394 117.137 2.257 1
1 235 . 4 1 1 A 28 28 LEU H H 28 6.969 7.865 -0.896 1
1 236 . 4 1 1 A 28 28 LEU HA H 28 3.249 2.689 0.560 1
1 246 . 4 1 1 A 28 28 LEU C C 28 177.627 178.167 -0.540 1
1 247 . 4 1 1 A 28 28 LEU CA C 28 57.956 57.239 0.717 1
1 248 . 4 1 1 A 28 28 LEU CB C 28 40.568 41.354 -0.786 1
1 252 . 4 1 1 A 28 28 LEU N N 28 121.993 121.744 0.249 1
1 253 . 4 1 1 A 29 29 VAL H H 29 8.261 8.222 0.039 1
1 254 . 4 1 1 A 29 29 VAL HA H 29 3.704 3.446 0.258 1
1 262 . 4 1 1 A 29 29 VAL C C 29 179.259 178.476 0.783 1
1 263 . 4 1 1 A 29 29 VAL CA C 29 66.532 66.794 -0.262 1
1 264 . 4 1 1 A 29 29 VAL CB C 29 31.765 31.523 0.242 1
1 267 . 4 1 1 A 29 29 VAL N N 29 119.585 119.535 0.050 1
1 268 . 4 1 1 A 30 30 SER H H 30 7.721 7.970 -0.249 1
1 269 . 4 1 1 A 30 30 SER HA H 30 4.104 4.138 -0.034 1
1 272 . 4 1 1 A 30 30 SER C C 30 177.207 176.293 0.914 1
1 273 . 4 1 1 A 30 30 SER CA C 30 61.647 60.495 1.152 1
1 274 . 4 1 1 A 30 30 SER CB C 30 62.575 63.159 -0.584 1
1 275 . 4 1 1 A 30 30 SER N N 30 113.762 115.096 -1.334 1
1 276 . 4 1 1 A 31 31 HIS H H 31 7.676 7.596 0.080 1
1 277 . 4 1 1 A 31 31 HIS HA H 31 4.271 4.175 0.096 1
1 282 . 4 1 1 A 31 31 HIS C C 31 177.982 177.129 0.853 1
1 283 . 4 1 1 A 31 31 HIS CA C 31 59.051 59.027 0.024 1
1 284 . 4 1 1 A 31 31 HIS CB C 31 28.436 30.083 -1.647 1
1 287 . 4 1 1 A 31 31 HIS N N 31 120.492 120.990 -0.498 1
1 288 . 4 1 1 A 32 32 GLN H H 32 8.881 8.672 0.209 1
1 289 . 4 1 1 A 32 32 GLN HA H 32 3.718 3.783 -0.065 1
1 296 . 4 1 1 A 32 32 GLN C C 32 177.983 178.418 -0.435 1
1 297 . 4 1 1 A 32 32 GLN CA C 32 59.912 58.887 1.025 1
1 298 . 4 1 1 A 32 32 GLN CB C 32 28.124 28.264 -0.140 1
1 300 . 4 1 1 A 32 32 GLN N N 32 120.621 117.909 2.712 1
1 302 . 4 1 1 A 33 33 LYS H H 33 7.245 7.440 -0.195 1
1 303 . 4 1 1 A 33 33 LYS HA H 33 4.151 3.972 0.179 1
1 312 . 4 1 1 A 33 33 LYS C C 33 178.380 179.622 -1.242 1
1 313 . 4 1 1 A 33 33 LYS CA C 33 58.671 59.334 -0.663 1
1 314 . 4 1 1 A 33 33 LYS CB C 33 32.152 32.277 -0.125 1
1 318 . 4 1 1 A 33 33 LYS N N 33 117.710 120.352 -2.642 1
1 319 . 4 1 1 A 34 34 THR H H 34 7.753 8.123 -0.370 1
1 320 . 4 1 1 A 34 34 THR HA H 34 4.151 3.961 0.190 1
1 325 . 4 1 1 A 34 34 THR C C 34 175.449 174.701 0.748 1
1 326 . 4 1 1 A 34 34 THR CA C 34 63.751 64.188 -0.437 1
1 327 . 4 1 1 A 34 34 THR CB C 34 69.354 68.527 0.827 1
1 329 . 4 1 1 A 34 34 THR N N 34 109.516 115.015 -5.499 1
1 330 . 4 1 1 A 35 35 HIS H H 35 7.153 7.186 -0.033 1
1 331 . 4 1 1 A 35 35 HIS HA H 35 4.874 4.522 0.352 1
1 336 . 4 1 1 A 35 35 HIS C C 35 175.240 175.195 0.045 1
1 337 . 4 1 1 A 35 35 HIS CA C 35 55.228 55.637 -0.409 1
1 338 . 4 1 1 A 35 35 HIS CB C 35 28.899 30.439 -1.540 1
1 341 . 4 1 1 A 35 35 HIS N N 35 118.672 119.795 -1.123 1
1 342 . 4 1 1 A 36 36 SER H H 36 7.936 8.891 -0.955 1
1 345 . 4 1 1 A 36 36 SER C C 36 175.155 174.466 0.689 1
1 346 . 4 1 1 A 36 36 SER CA C 36 58.865 59.286 -0.421 1
1 347 . 4 1 1 A 36 36 SER CB C 36 63.926 61.855 2.071 1
1 348 . 4 1 1 A 36 36 SER N N 36 115.177 116.838 -1.661 1
1 349 . 4 1 1 A 37 37 GLY HA2 H 37 4.000 3.913 0.087 1
1 350 . 4 1 1 A 37 37 GLY HA3 H 37 3.924 3.921 0.003 1
1 351 . 4 1 1 A 37 37 GLY C C 37 174.151 173.255 0.896 1
1 352 . 4 1 1 A 37 37 GLY CA C 37 45.327 46.303 -0.976 1
1 353 . 4 1 1 A 38 38 GLN H H 38 8.214 7.664 0.550 1
1 354 . 4 1 1 A 38 38 GLN HA H 38 4.419 4.604 -0.185 1
1 360 . 4 1 1 A 38 38 GLN C C 38 176.047 174.066 1.981 1
1 361 . 4 1 1 A 38 38 GLN CA C 38 55.808 56.070 -0.262 1
1 362 . 4 1 1 A 38 38 GLN CB C 38 29.587 31.447 -1.860 1
1 364 . 4 1 1 A 38 38 GLN N N 38 119.770 121.631 -1.861 1
1 366 . 4 1 1 A 39 39 SER H H 39 8.420 8.732 -0.312 1
1 367 . 4 1 1 A 39 39 SER HA H 39 4.510 4.534 -0.024 1
1 370 . 4 1 1 A 39 39 SER C C 39 174.504 175.503 -0.999 1
1 371 . 4 1 1 A 39 39 SER CA C 39 58.371 59.369 -0.998 1
1 372 . 4 1 1 A 39 39 SER CB C 39 64.007 64.138 -0.131 1
1 373 . 4 1 1 A 39 39 SER N N 39 117.120 122.787 -5.667 1
1 374 . 4 1 1 A 40 40 GLY H H 40 8.269 8.936 -0.667 1
1 375 . 4 1 1 A 40 40 GLY HA2 H 40 4.108 4.000 0.108 1
1 376 . 4 1 1 A 40 40 GLY HA3 H 40 4.182 4.000 0.182 1
1 377 . 4 1 1 A 40 40 GLY C C 40 171.768 175.451 -3.683 1
1 378 . 4 1 1 A 40 40 GLY CA C 40 44.645 46.520 -1.875 1
1 379 . 4 1 1 A 40 40 GLY N N 40 110.759 113.392 -2.633 1
1 380 . 4 1 1 A 41 41 PRO HA H 41 4.490 4.419 0.071 1
1 387 . 4 1 1 A 41 41 PRO C C 41 177.377 176.306 1.071 1
1 388 . 4 1 1 A 41 41 PRO CA C 41 63.244 64.697 -1.453 1
1 389 . 4 1 1 A 41 41 PRO CB C 41 32.185 32.098 0.087 1
1 392 . 4 1 1 A 42 42 SER H H 42 8.514 7.658 0.856 1
1 393 . 4 1 1 A 42 42 SER C C 42 174.655 173.434 1.221 1
1 394 . 4 1 1 A 42 42 SER CA C 42 58.447 57.005 1.442 1
1 395 . 4 1 1 A 42 42 SER CB C 42 64.027 65.487 -1.460 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 4.008 4.039 -0.031 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.008 4.040 -0.032 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.487 172.861 1.626 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.536 45.360 0.176 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.161 8.356 -0.195 1
1 6 . 5 1 1 A 8 8 THR HA H 8 4.393 4.391 0.002 1
1 11 . 5 1 1 A 8 8 THR C C 8 175.248 174.953 0.295 1
1 12 . 5 1 1 A 8 8 THR CA C 8 61.821 61.936 -0.115 1
1 13 . 5 1 1 A 8 8 THR CB C 8 69.873 69.560 0.313 1
1 15 . 5 1 1 A 8 8 THR N N 8 112.733 112.352 0.381 1
1 16 . 5 1 1 A 9 9 GLY H H 9 8.469 8.590 -0.121 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 4.008 4.201 -0.193 1
1 18 . 5 1 1 A 9 9 GLY HA3 H 9 4.008 4.204 -0.196 1
1 19 . 5 1 1 A 9 9 GLY C C 9 174.052 172.265 1.787 1
1 20 . 5 1 1 A 9 9 GLY CA C 9 45.528 45.571 -0.043 1
1 21 . 5 1 1 A 9 9 GLY N N 9 111.035 109.739 1.296 1
1 22 . 5 1 1 A 10 10 GLU H H 10 8.214 8.918 -0.704 1
1 23 . 5 1 1 A 10 10 GLU HA H 10 4.246 5.052 -0.806 1
1 28 . 5 1 1 A 10 10 GLU C C 10 175.942 175.148 0.794 1
1 29 . 5 1 1 A 10 10 GLU CA C 10 56.603 55.121 1.482 1
1 30 . 5 1 1 A 10 10 GLU CB C 10 30.592 31.918 -1.326 1
1 32 . 5 1 1 A 10 10 GLU N N 10 119.967 125.312 -5.345 1
1 33 . 5 1 1 A 11 11 ASN H H 11 8.407 8.419 -0.012 1
1 34 . 5 1 1 A 11 11 ASN HA H 11 4.947 5.266 -0.319 1
1 39 . 5 1 1 A 11 11 ASN C C 11 172.759 175.196 -2.437 1
1 40 . 5 1 1 A 11 11 ASN CA C 11 51.229 49.816 1.413 1
1 41 . 5 1 1 A 11 11 ASN CB C 11 39.486 40.418 -0.932 1
1 42 . 5 1 1 A 11 11 ASN N N 11 119.687 124.265 -4.578 1
1 44 . 5 1 1 A 12 12 PRO HA H 12 4.295 4.323 -0.028 1
1 51 . 5 1 1 A 12 12 PRO C C 12 176.280 175.700 0.580 1
1 52 . 5 1 1 A 12 12 PRO CA C 12 63.512 63.933 -0.421 1
1 53 . 5 1 1 A 12 12 PRO CB C 12 32.183 31.369 0.814 1
1 56 . 5 1 1 A 13 13 TYR H H 13 8.160 7.542 0.618 1
1 57 . 5 1 1 A 13 13 TYR HA H 13 4.694 5.271 -0.577 1
1 64 . 5 1 1 A 13 13 TYR C C 13 173.960 174.144 -0.184 1
1 65 . 5 1 1 A 13 13 TYR CA C 13 56.912 56.534 0.378 1
1 66 . 5 1 1 A 13 13 TYR CB C 13 38.357 40.650 -2.293 1
1 71 . 5 1 1 A 13 13 TYR N N 13 118.775 118.516 0.259 1
1 72 . 5 1 1 A 14 14 GLU H H 14 8.335 9.156 -0.821 1
1 73 . 5 1 1 A 14 14 GLU HA H 14 5.017 5.281 -0.264 1
1 78 . 5 1 1 A 14 14 GLU C C 14 175.182 174.918 0.264 1
1 79 . 5 1 1 A 14 14 GLU CA C 14 54.455 54.868 -0.413 1
1 80 . 5 1 1 A 14 14 GLU CB C 14 33.214 33.312 -0.098 1
1 82 . 5 1 1 A 14 14 GLU N N 14 123.792 125.386 -1.594 1
1 83 . 5 1 1 A 15 15 CYS H H 15 9.398 9.210 0.188 1
1 84 . 5 1 1 A 15 15 CYS HA H 15 4.648 4.620 0.028 1
1 87 . 5 1 1 A 15 15 CYS C C 15 177.220 175.373 1.847 1
1 88 . 5 1 1 A 15 15 CYS CA C 15 59.337 58.506 0.831 1
1 89 . 5 1 1 A 15 15 CYS CB C 15 29.644 26.671 2.973 1
1 90 . 5 1 1 A 15 15 CYS N N 15 127.444 126.002 1.442 1
1 91 . 5 1 1 A 16 16 CYS H H 16 9.319 8.207 1.112 1
1 92 . 5 1 1 A 16 16 CYS HA H 16 4.475 4.039 0.436 1
1 95 . 5 1 1 A 16 16 CYS C C 16 174.596 177.276 -2.680 1
1 96 . 5 1 1 A 16 16 CYS CA C 16 60.515 62.925 -2.410 1
1 97 . 5 1 1 A 16 16 CYS CB C 16 27.201 27.047 0.154 1
1 98 . 5 1 1 A 16 16 CYS N N 16 130.435 125.273 5.162 1
1 99 . 5 1 1 A 17 17 GLU H H 17 8.688 8.326 0.362 1
1 100 . 5 1 1 A 17 17 GLU HA H 17 4.287 3.954 0.333 1
1 105 . 5 1 1 A 17 17 GLU C C 17 177.134 178.091 -0.957 1
1 106 . 5 1 1 A 17 17 GLU CA C 17 58.287 59.354 -1.067 1
1 107 . 5 1 1 A 17 17 GLU CB C 17 29.747 28.914 0.833 1
1 109 . 5 1 1 A 17 17 GLU N N 17 122.479 119.537 2.942 1
1 110 . 5 1 1 A 18 18 CYS H H 18 7.912 7.323 0.589 1
1 111 . 5 1 1 A 18 18 CYS HA H 18 5.182 4.512 0.670 1
1 114 . 5 1 1 A 18 18 CYS C C 18 176.224 175.131 1.093 1
1 115 . 5 1 1 A 18 18 CYS CA C 18 58.452 59.548 -1.096 1
1 116 . 5 1 1 A 18 18 CYS CB C 18 32.577 29.443 3.134 1
1 117 . 5 1 1 A 18 18 CYS N N 18 114.583 114.566 0.017 1
1 118 . 5 1 1 A 19 19 GLY H H 19 8.302 8.143 0.159 1
1 119 . 5 1 1 A 19 19 GLY HA2 H 19 3.918 4.082 -0.164 1
1 120 . 5 1 1 A 19 19 GLY HA3 H 19 4.235 4.092 0.143 1
1 121 . 5 1 1 A 19 19 GLY C C 19 173.879 174.278 -0.399 1
1 122 . 5 1 1 A 19 19 GLY CA C 19 46.133 45.218 0.915 1
1 123 . 5 1 1 A 19 19 GLY N N 19 113.493 110.254 3.239 1
1 124 . 5 1 1 A 20 20 LYS H H 20 7.918 7.959 -0.041 1
1 125 . 5 1 1 A 20 20 LYS HA H 20 4.006 4.645 -0.639 1
1 134 . 5 1 1 A 20 20 LYS C C 20 174.253 175.289 -1.036 1
1 135 . 5 1 1 A 20 20 LYS CA C 20 58.177 55.103 3.074 1
1 136 . 5 1 1 A 20 20 LYS CB C 20 33.916 34.252 -0.336 1
1 140 . 5 1 1 A 20 20 LYS N N 20 122.419 121.529 0.890 1
1 141 . 5 1 1 A 21 21 VAL H H 21 7.565 8.154 -0.589 1
1 142 . 5 1 1 A 21 21 VAL HA H 21 4.798 5.088 -0.290 1
1 150 . 5 1 1 A 21 21 VAL C C 21 175.151 174.434 0.717 1
1 151 . 5 1 1 A 21 21 VAL CA C 21 60.194 60.644 -0.450 1
1 152 . 5 1 1 A 21 21 VAL CB C 21 34.074 35.266 -1.192 1
1 155 . 5 1 1 A 21 21 VAL N N 21 116.838 123.913 -7.075 1
1 156 . 5 1 1 A 22 22 PHE H H 22 8.603 8.589 0.014 1
1 157 . 5 1 1 A 22 22 PHE HA H 22 4.787 5.096 -0.309 1
1 165 . 5 1 1 A 22 22 PHE C C 22 175.198 175.529 -0.331 1
1 166 . 5 1 1 A 22 22 PHE CA C 22 56.970 56.477 0.493 1
1 167 . 5 1 1 A 22 22 PHE CB C 22 43.313 44.121 -0.808 1
1 173 . 5 1 1 A 22 22 PHE N N 22 121.088 124.401 -3.313 1
1 174 . 5 1 1 A 23 23 SER H H 23 8.908 8.942 -0.034 1
1 175 . 5 1 1 A 23 23 SER HA H 23 4.678 4.723 -0.045 1
1 178 . 5 1 1 A 23 23 SER C C 23 174.535 174.121 0.414 1
1 179 . 5 1 1 A 23 23 SER CA C 23 60.208 60.031 0.177 1
1 180 . 5 1 1 A 23 23 SER CB C 23 64.284 64.745 -0.461 1
1 181 . 5 1 1 A 23 23 SER N N 23 115.507 115.560 -0.053 1
1 182 . 5 1 1 A 24 24 ARG H H 24 7.696 7.886 -0.190 1
1 183 . 5 1 1 A 24 24 ARG HA H 24 4.727 4.419 0.308 1
1 190 . 5 1 1 A 24 24 ARG C C 24 176.245 175.807 0.438 1
1 191 . 5 1 1 A 24 24 ARG CA C 24 54.240 54.139 0.101 1
1 192 . 5 1 1 A 24 24 ARG CB C 24 35.386 32.524 2.862 1
1 195 . 5 1 1 A 24 24 ARG N N 24 117.322 119.206 -1.884 1
1 196 . 5 1 1 A 25 25 LYS H H 25 8.456 8.120 0.336 1
1 197 . 5 1 1 A 25 25 LYS HA H 25 3.035 3.254 -0.219 1
1 206 . 5 1 1 A 25 25 LYS C C 25 177.886 177.525 0.361 1
1 207 . 5 1 1 A 25 25 LYS CA C 25 59.309 59.911 -0.602 1
1 208 . 5 1 1 A 25 25 LYS CB C 25 31.983 31.959 0.024 1
1 212 . 5 1 1 A 25 25 LYS N N 25 125.034 125.438 -0.404 1
1 213 . 5 1 1 A 26 26 ASP H H 26 8.540 8.078 0.462 1
1 214 . 5 1 1 A 26 26 ASP HA H 26 4.142 4.189 -0.047 1
1 217 . 5 1 1 A 26 26 ASP C C 26 178.695 178.575 0.120 1
1 218 . 5 1 1 A 26 26 ASP CA C 26 56.780 57.292 -0.512 1
1 219 . 5 1 1 A 26 26 ASP CB C 26 39.330 41.266 -1.936 1
1 220 . 5 1 1 A 26 26 ASP N N 26 114.989 119.273 -4.284 1
1 221 . 5 1 1 A 27 27 GLN H H 27 6.981 8.165 -1.184 1
1 222 . 5 1 1 A 27 27 GLN HA H 27 3.987 4.017 -0.030 1
1 229 . 5 1 1 A 27 27 GLN C C 27 178.473 178.012 0.461 1
1 230 . 5 1 1 A 27 27 GLN CA C 27 57.612 58.510 -0.898 1
1 231 . 5 1 1 A 27 27 GLN CB C 27 28.915 28.245 0.670 1
1 233 . 5 1 1 A 27 27 GLN N N 27 119.394 117.054 2.340 1
1 235 . 5 1 1 A 28 28 LEU H H 28 6.969 7.612 -0.643 1
1 236 . 5 1 1 A 28 28 LEU HA H 28 3.249 2.684 0.565 1
1 246 . 5 1 1 A 28 28 LEU C C 28 177.627 178.275 -0.648 1
1 247 . 5 1 1 A 28 28 LEU CA C 28 57.956 57.234 0.722 1
1 248 . 5 1 1 A 28 28 LEU CB C 28 40.568 41.314 -0.746 1
1 252 . 5 1 1 A 28 28 LEU N N 28 121.993 121.758 0.235 1
1 253 . 5 1 1 A 29 29 VAL H H 29 8.261 8.044 0.217 1
1 254 . 5 1 1 A 29 29 VAL HA H 29 3.704 3.420 0.284 1
1 262 . 5 1 1 A 29 29 VAL C C 29 179.259 177.852 1.407 1
1 263 . 5 1 1 A 29 29 VAL CA C 29 66.532 66.961 -0.429 1
1 264 . 5 1 1 A 29 29 VAL CB C 29 31.765 31.467 0.298 1
1 267 . 5 1 1 A 29 29 VAL N N 29 119.585 119.568 0.017 1
1 268 . 5 1 1 A 30 30 SER H H 30 7.721 7.865 -0.144 1
1 269 . 5 1 1 A 30 30 SER HA H 30 4.104 3.998 0.106 1
1 272 . 5 1 1 A 30 30 SER C C 30 177.207 176.898 0.309 1
1 273 . 5 1 1 A 30 30 SER CA C 30 61.647 61.506 0.141 1
1 274 . 5 1 1 A 30 30 SER CB C 30 62.575 63.089 -0.514 1
1 275 . 5 1 1 A 30 30 SER N N 30 113.762 114.478 -0.716 1
1 276 . 5 1 1 A 31 31 HIS H H 31 7.676 7.322 0.354 1
1 277 . 5 1 1 A 31 31 HIS HA H 31 4.271 4.269 0.002 1
1 282 . 5 1 1 A 31 31 HIS C C 31 177.982 176.564 1.418 1
1 283 . 5 1 1 A 31 31 HIS CA C 31 59.051 59.642 -0.591 1
1 284 . 5 1 1 A 31 31 HIS CB C 31 28.436 29.797 -1.361 1
1 287 . 5 1 1 A 31 31 HIS N N 31 120.492 120.873 -0.381 1
1 288 . 5 1 1 A 32 32 GLN H H 32 8.881 8.554 0.327 1
1 289 . 5 1 1 A 32 32 GLN HA H 32 3.718 3.828 -0.110 1
1 296 . 5 1 1 A 32 32 GLN C C 32 177.983 178.711 -0.728 1
1 297 . 5 1 1 A 32 32 GLN CA C 32 59.912 59.227 0.685 1
1 298 . 5 1 1 A 32 32 GLN CB C 32 28.124 28.324 -0.200 1
1 300 . 5 1 1 A 32 32 GLN N N 32 120.621 117.439 3.182 1
1 302 . 5 1 1 A 33 33 LYS H H 33 7.245 7.823 -0.578 1
1 303 . 5 1 1 A 33 33 LYS HA H 33 4.151 3.892 0.259 1
1 312 . 5 1 1 A 33 33 LYS C C 33 178.380 178.846 -0.466 1
1 313 . 5 1 1 A 33 33 LYS CA C 33 58.671 59.384 -0.713 1
1 314 . 5 1 1 A 33 33 LYS CB C 33 32.152 32.325 -0.173 1
1 318 . 5 1 1 A 33 33 LYS N N 33 117.710 119.616 -1.906 1
1 319 . 5 1 1 A 34 34 THR H H 34 7.753 8.085 -0.332 1
1 320 . 5 1 1 A 34 34 THR HA H 34 4.151 4.015 0.136 1
1 325 . 5 1 1 A 34 34 THR C C 34 175.449 174.794 0.655 1
1 326 . 5 1 1 A 34 34 THR CA C 34 63.751 65.583 -1.832 1
1 327 . 5 1 1 A 34 34 THR CB C 34 69.354 67.964 1.390 1
1 329 . 5 1 1 A 34 34 THR N N 34 109.516 112.294 -2.778 1
1 330 . 5 1 1 A 35 35 HIS H H 35 7.153 8.065 -0.912 1
1 331 . 5 1 1 A 35 35 HIS HA H 35 4.874 4.652 0.222 1
1 336 . 5 1 1 A 35 35 HIS C C 35 175.240 174.793 0.447 1
1 337 . 5 1 1 A 35 35 HIS CA C 35 55.228 55.686 -0.458 1
1 338 . 5 1 1 A 35 35 HIS CB C 35 28.899 29.708 -0.809 1
1 341 . 5 1 1 A 35 35 HIS N N 35 118.672 121.071 -2.399 1
1 342 . 5 1 1 A 36 36 SER H H 36 7.936 8.842 -0.906 1
1 345 . 5 1 1 A 36 36 SER C C 36 175.155 173.597 1.558 1
1 346 . 5 1 1 A 36 36 SER CA C 36 58.865 57.924 0.941 1
1 347 . 5 1 1 A 36 36 SER CB C 36 63.926 63.236 0.690 1
1 348 . 5 1 1 A 36 36 SER N N 36 115.177 121.776 -6.599 1
1 349 . 5 1 1 A 37 37 GLY HA2 H 37 4.000 4.440 -0.440 1
1 350 . 5 1 1 A 37 37 GLY HA3 H 37 3.924 4.441 -0.517 1
1 351 . 5 1 1 A 37 37 GLY C C 37 174.151 172.668 1.483 1
1 352 . 5 1 1 A 37 37 GLY CA C 37 45.327 44.042 1.285 1
1 353 . 5 1 1 A 38 38 GLN H H 38 8.214 8.428 -0.214 1
1 354 . 5 1 1 A 38 38 GLN HA H 38 4.419 4.229 0.190 1
1 360 . 5 1 1 A 38 38 GLN C C 38 176.047 176.043 0.004 1
1 361 . 5 1 1 A 38 38 GLN CA C 38 55.808 56.245 -0.437 1
1 362 . 5 1 1 A 38 38 GLN CB C 38 29.587 29.640 -0.053 1
1 364 . 5 1 1 A 38 38 GLN N N 38 119.770 121.756 -1.986 1
1 366 . 5 1 1 A 39 39 SER H H 39 8.420 8.717 -0.297 1
1 367 . 5 1 1 A 39 39 SER HA H 39 4.510 4.347 0.163 1
1 370 . 5 1 1 A 39 39 SER C C 39 174.504 175.461 -0.957 1
1 371 . 5 1 1 A 39 39 SER CA C 39 58.371 60.030 -1.659 1
1 372 . 5 1 1 A 39 39 SER CB C 39 64.007 63.664 0.343 1
1 373 . 5 1 1 A 39 39 SER N N 39 117.120 119.822 -2.702 1
1 374 . 5 1 1 A 40 40 GLY H H 40 8.269 8.713 -0.444 1
1 375 . 5 1 1 A 40 40 GLY HA2 H 40 4.108 3.873 0.235 1
1 376 . 5 1 1 A 40 40 GLY HA3 H 40 4.182 3.875 0.307 1
1 377 . 5 1 1 A 40 40 GLY C C 40 171.768 174.603 -2.835 1
1 378 . 5 1 1 A 40 40 GLY CA C 40 44.645 47.494 -2.849 1
1 379 . 5 1 1 A 40 40 GLY N N 40 110.759 112.801 -2.042 1
1 380 . 5 1 1 A 41 41 PRO HA H 41 4.490 4.488 0.002 1
1 387 . 5 1 1 A 41 41 PRO C C 41 177.377 176.837 0.540 1
1 388 . 5 1 1 A 41 41 PRO CA C 41 63.244 62.455 0.789 1
1 389 . 5 1 1 A 41 41 PRO CB C 41 32.185 32.216 -0.031 1
1 392 . 5 1 1 A 42 42 SER H H 42 8.514 8.423 0.091 1
1 393 . 5 1 1 A 42 42 SER C C 42 174.655 174.329 0.326 1
1 394 . 5 1 1 A 42 42 SER CA C 42 58.447 59.260 -0.813 1
1 395 . 5 1 1 A 42 42 SER CB C 42 64.027 62.805 1.222 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 4.008 4.019 -0.011 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.008 4.021 -0.013 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.487 172.668 1.819 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.536 45.389 0.147 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.161 8.549 -0.388 1
1 6 . 6 1 1 A 8 8 THR HA H 8 4.393 4.727 -0.334 1
1 11 . 6 1 1 A 8 8 THR C C 8 175.248 174.068 1.180 1
1 12 . 6 1 1 A 8 8 THR CA C 8 61.821 61.011 0.810 1
1 13 . 6 1 1 A 8 8 THR CB C 8 69.873 68.842 1.031 1
1 15 . 6 1 1 A 8 8 THR N N 8 112.733 118.944 -6.211 1
1 16 . 6 1 1 A 9 9 GLY H H 9 8.469 8.284 0.185 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 4.008 4.247 -0.239 1
1 18 . 6 1 1 A 9 9 GLY HA3 H 9 4.008 4.247 -0.239 1
1 19 . 6 1 1 A 9 9 GLY C C 9 174.052 171.641 2.411 1
1 20 . 6 1 1 A 9 9 GLY CA C 9 45.528 46.093 -0.565 1
1 21 . 6 1 1 A 9 9 GLY N N 9 111.035 112.162 -1.127 1
1 22 . 6 1 1 A 10 10 GLU H H 10 8.214 8.527 -0.313 1
1 23 . 6 1 1 A 10 10 GLU HA H 10 4.246 4.919 -0.673 1
1 28 . 6 1 1 A 10 10 GLU C C 10 175.942 175.147 0.795 1
1 29 . 6 1 1 A 10 10 GLU CA C 10 56.603 55.074 1.529 1
1 30 . 6 1 1 A 10 10 GLU CB C 10 30.592 32.169 -1.577 1
1 32 . 6 1 1 A 10 10 GLU N N 10 119.967 122.272 -2.305 1
1 33 . 6 1 1 A 11 11 ASN H H 11 8.407 8.791 -0.384 1
1 34 . 6 1 1 A 11 11 ASN HA H 11 4.947 5.419 -0.472 1
1 39 . 6 1 1 A 11 11 ASN C C 11 172.759 173.664 -0.905 1
1 40 . 6 1 1 A 11 11 ASN CA C 11 51.229 50.411 0.818 1
1 41 . 6 1 1 A 11 11 ASN CB C 11 39.486 39.526 -0.040 1
1 42 . 6 1 1 A 11 11 ASN N N 11 119.687 124.671 -4.984 1
1 44 . 6 1 1 A 12 12 PRO HA H 12 4.295 4.400 -0.105 1
1 51 . 6 1 1 A 12 12 PRO C C 12 176.280 175.817 0.463 1
1 52 . 6 1 1 A 12 12 PRO CA C 12 63.512 64.231 -0.719 1
1 53 . 6 1 1 A 12 12 PRO CB C 12 32.183 31.312 0.871 1
1 56 . 6 1 1 A 13 13 TYR H H 13 8.160 7.425 0.735 1
1 57 . 6 1 1 A 13 13 TYR HA H 13 4.694 5.070 -0.376 1
1 64 . 6 1 1 A 13 13 TYR C C 13 173.960 174.135 -0.175 1
1 65 . 6 1 1 A 13 13 TYR CA C 13 56.912 56.451 0.461 1
1 66 . 6 1 1 A 13 13 TYR CB C 13 38.357 39.011 -0.654 1
1 71 . 6 1 1 A 13 13 TYR N N 13 118.775 118.343 0.432 1
1 72 . 6 1 1 A 14 14 GLU H H 14 8.335 9.141 -0.806 1
1 73 . 6 1 1 A 14 14 GLU HA H 14 5.017 5.042 -0.025 1
1 78 . 6 1 1 A 14 14 GLU C C 14 175.182 175.649 -0.467 1
1 79 . 6 1 1 A 14 14 GLU CA C 14 54.455 54.913 -0.458 1
1 80 . 6 1 1 A 14 14 GLU CB C 14 33.214 31.858 1.356 1
1 82 . 6 1 1 A 14 14 GLU N N 14 123.792 126.151 -2.359 1
1 83 . 6 1 1 A 15 15 CYS H H 15 9.398 8.916 0.482 1
1 84 . 6 1 1 A 15 15 CYS HA H 15 4.648 4.503 0.145 1
1 87 . 6 1 1 A 15 15 CYS C C 15 177.220 175.700 1.520 1
1 88 . 6 1 1 A 15 15 CYS CA C 15 59.337 60.169 -0.832 1
1 89 . 6 1 1 A 15 15 CYS CB C 15 29.644 28.690 0.954 1
1 90 . 6 1 1 A 15 15 CYS N N 15 127.444 126.123 1.321 1
1 91 . 6 1 1 A 16 16 CYS H H 16 9.319 8.615 0.704 1
1 92 . 6 1 1 A 16 16 CYS HA H 16 4.475 4.701 -0.226 1
1 95 . 6 1 1 A 16 16 CYS C C 16 174.596 175.061 -0.465 1
1 96 . 6 1 1 A 16 16 CYS CA C 16 60.515 59.105 1.410 1
1 97 . 6 1 1 A 16 16 CYS CB C 16 27.201 27.972 -0.771 1
1 98 . 6 1 1 A 16 16 CYS N N 16 130.435 126.632 3.803 1
1 99 . 6 1 1 A 17 17 GLU H H 17 8.688 8.034 0.654 1
1 100 . 6 1 1 A 17 17 GLU HA H 17 4.287 4.449 -0.162 1
1 105 . 6 1 1 A 17 17 GLU C C 17 177.134 177.751 -0.617 1
1 106 . 6 1 1 A 17 17 GLU CA C 17 58.287 57.003 1.284 1
1 107 . 6 1 1 A 17 17 GLU CB C 17 29.747 32.138 -2.391 1
1 109 . 6 1 1 A 17 17 GLU N N 17 122.479 120.045 2.434 1
1 110 . 6 1 1 A 18 18 CYS H H 18 7.912 8.007 -0.095 1
1 111 . 6 1 1 A 18 18 CYS HA H 18 5.182 4.619 0.563 1
1 114 . 6 1 1 A 18 18 CYS C C 18 176.224 175.515 0.709 1
1 115 . 6 1 1 A 18 18 CYS CA C 18 58.452 59.551 -1.099 1
1 116 . 6 1 1 A 18 18 CYS CB C 18 32.577 29.905 2.672 1
1 117 . 6 1 1 A 18 18 CYS N N 18 114.583 114.557 0.026 1
1 118 . 6 1 1 A 19 19 GLY H H 19 8.302 8.311 -0.009 1
1 119 . 6 1 1 A 19 19 GLY HA2 H 19 3.918 4.060 -0.142 1
1 120 . 6 1 1 A 19 19 GLY HA3 H 19 4.235 4.075 0.160 1
1 121 . 6 1 1 A 19 19 GLY C C 19 173.879 174.087 -0.208 1
1 122 . 6 1 1 A 19 19 GLY CA C 19 46.133 45.743 0.390 1
1 123 . 6 1 1 A 19 19 GLY N N 19 113.493 109.681 3.812 1
1 124 . 6 1 1 A 20 20 LYS H H 20 7.918 7.943 -0.025 1
1 125 . 6 1 1 A 20 20 LYS HA H 20 4.006 4.688 -0.682 1
1 134 . 6 1 1 A 20 20 LYS C C 20 174.253 175.294 -1.041 1
1 135 . 6 1 1 A 20 20 LYS CA C 20 58.177 54.414 3.763 1
1 136 . 6 1 1 A 20 20 LYS CB C 20 33.916 35.274 -1.358 1
1 140 . 6 1 1 A 20 20 LYS N N 20 122.419 119.379 3.040 1
1 141 . 6 1 1 A 21 21 VAL H H 21 7.565 8.630 -1.065 1
1 142 . 6 1 1 A 21 21 VAL HA H 21 4.798 4.920 -0.122 1
1 150 . 6 1 1 A 21 21 VAL C C 21 175.151 174.524 0.627 1
1 151 . 6 1 1 A 21 21 VAL CA C 21 60.194 61.182 -0.988 1
1 152 . 6 1 1 A 21 21 VAL CB C 21 34.074 33.088 0.986 1
1 155 . 6 1 1 A 21 21 VAL N N 21 116.838 123.251 -6.413 1
1 156 . 6 1 1 A 22 22 PHE H H 22 8.603 8.571 0.032 1
1 157 . 6 1 1 A 22 22 PHE HA H 22 4.787 5.001 -0.214 1
1 165 . 6 1 1 A 22 22 PHE C C 22 175.198 175.605 -0.407 1
1 166 . 6 1 1 A 22 22 PHE CA C 22 56.970 56.552 0.418 1
1 167 . 6 1 1 A 22 22 PHE CB C 22 43.313 43.722 -0.409 1
1 173 . 6 1 1 A 22 22 PHE N N 22 121.088 123.262 -2.174 1
1 174 . 6 1 1 A 23 23 SER H H 23 8.908 9.132 -0.224 1
1 175 . 6 1 1 A 23 23 SER HA H 23 4.678 4.594 0.084 1
1 178 . 6 1 1 A 23 23 SER C C 23 174.535 173.458 1.077 1
1 179 . 6 1 1 A 23 23 SER CA C 23 60.208 61.051 -0.843 1
1 180 . 6 1 1 A 23 23 SER CB C 23 64.284 63.370 0.914 1
1 181 . 6 1 1 A 23 23 SER N N 23 115.507 116.820 -1.313 1
1 182 . 6 1 1 A 24 24 ARG H H 24 7.696 8.000 -0.304 1
1 183 . 6 1 1 A 24 24 ARG HA H 24 4.727 4.600 0.127 1
1 190 . 6 1 1 A 24 24 ARG C C 24 176.245 175.848 0.397 1
1 191 . 6 1 1 A 24 24 ARG CA C 24 54.240 54.343 -0.103 1
1 192 . 6 1 1 A 24 24 ARG CB C 24 35.386 32.808 2.578 1
1 195 . 6 1 1 A 24 24 ARG N N 24 117.322 118.362 -1.040 1
1 196 . 6 1 1 A 25 25 LYS H H 25 8.456 7.998 0.458 1
1 197 . 6 1 1 A 25 25 LYS HA H 25 3.035 3.028 0.007 1
1 206 . 6 1 1 A 25 25 LYS C C 25 177.886 177.665 0.221 1
1 207 . 6 1 1 A 25 25 LYS CA C 25 59.309 59.905 -0.596 1
1 208 . 6 1 1 A 25 25 LYS CB C 25 31.983 31.886 0.097 1
1 212 . 6 1 1 A 25 25 LYS N N 25 125.034 124.927 0.107 1
1 213 . 6 1 1 A 26 26 ASP H H 26 8.540 8.002 0.538 1
1 214 . 6 1 1 A 26 26 ASP HA H 26 4.142 4.197 -0.055 1
1 217 . 6 1 1 A 26 26 ASP C C 26 178.695 178.593 0.102 1
1 218 . 6 1 1 A 26 26 ASP CA C 26 56.780 57.438 -0.658 1
1 219 . 6 1 1 A 26 26 ASP CB C 26 39.330 40.904 -1.574 1
1 220 . 6 1 1 A 26 26 ASP N N 26 114.989 119.265 -4.276 1
1 221 . 6 1 1 A 27 27 GLN H H 27 6.981 8.114 -1.133 1
1 222 . 6 1 1 A 27 27 GLN HA H 27 3.987 3.948 0.039 1
1 229 . 6 1 1 A 27 27 GLN C C 27 178.473 178.090 0.383 1
1 230 . 6 1 1 A 27 27 GLN CA C 27 57.612 58.923 -1.311 1
1 231 . 6 1 1 A 27 27 GLN CB C 27 28.915 28.516 0.399 1
1 233 . 6 1 1 A 27 27 GLN N N 27 119.394 117.344 2.050 1
1 235 . 6 1 1 A 28 28 LEU H H 28 6.969 7.640 -0.671 1
1 236 . 6 1 1 A 28 28 LEU HA H 28 3.249 2.872 0.377 1
1 246 . 6 1 1 A 28 28 LEU C C 28 177.627 178.234 -0.607 1
1 247 . 6 1 1 A 28 28 LEU CA C 28 57.956 57.416 0.540 1
1 248 . 6 1 1 A 28 28 LEU CB C 28 40.568 41.265 -0.697 1
1 252 . 6 1 1 A 28 28 LEU N N 28 121.993 121.200 0.793 1
1 253 . 6 1 1 A 29 29 VAL H H 29 8.261 8.097 0.164 1
1 254 . 6 1 1 A 29 29 VAL HA H 29 3.704 3.419 0.285 1
1 262 . 6 1 1 A 29 29 VAL C C 29 179.259 178.231 1.028 1
1 263 . 6 1 1 A 29 29 VAL CA C 29 66.532 66.781 -0.249 1
1 264 . 6 1 1 A 29 29 VAL CB C 29 31.765 31.474 0.291 1
1 267 . 6 1 1 A 29 29 VAL N N 29 119.585 119.445 0.140 1
1 268 . 6 1 1 A 30 30 SER H H 30 7.721 7.988 -0.267 1
1 269 . 6 1 1 A 30 30 SER HA H 30 4.104 4.163 -0.059 1
1 272 . 6 1 1 A 30 30 SER C C 30 177.207 176.844 0.363 1
1 273 . 6 1 1 A 30 30 SER CA C 30 61.647 60.478 1.169 1
1 274 . 6 1 1 A 30 30 SER CB C 30 62.575 63.224 -0.649 1
1 275 . 6 1 1 A 30 30 SER N N 30 113.762 115.048 -1.286 1
1 276 . 6 1 1 A 31 31 HIS H H 31 7.676 7.277 0.399 1
1 277 . 6 1 1 A 31 31 HIS HA H 31 4.271 4.169 0.102 1
1 282 . 6 1 1 A 31 31 HIS C C 31 177.982 176.876 1.106 1
1 283 . 6 1 1 A 31 31 HIS CA C 31 59.051 59.180 -0.129 1
1 284 . 6 1 1 A 31 31 HIS CB C 31 28.436 30.033 -1.597 1
1 287 . 6 1 1 A 31 31 HIS N N 31 120.492 120.754 -0.262 1
1 288 . 6 1 1 A 32 32 GLN H H 32 8.881 8.471 0.410 1
1 289 . 6 1 1 A 32 32 GLN HA H 32 3.718 3.782 -0.064 1
1 296 . 6 1 1 A 32 32 GLN C C 32 177.983 178.322 -0.339 1
1 297 . 6 1 1 A 32 32 GLN CA C 32 59.912 59.116 0.796 1
1 298 . 6 1 1 A 32 32 GLN CB C 32 28.124 28.314 -0.190 1
1 300 . 6 1 1 A 32 32 GLN N N 32 120.621 117.159 3.462 1
1 302 . 6 1 1 A 33 33 LYS H H 33 7.245 7.685 -0.440 1
1 303 . 6 1 1 A 33 33 LYS HA H 33 4.151 3.936 0.215 1
1 312 . 6 1 1 A 33 33 LYS C C 33 178.380 178.810 -0.430 1
1 313 . 6 1 1 A 33 33 LYS CA C 33 58.671 59.116 -0.445 1
1 314 . 6 1 1 A 33 33 LYS CB C 33 32.152 32.176 -0.024 1
1 318 . 6 1 1 A 33 33 LYS N N 33 117.710 120.367 -2.657 1
1 319 . 6 1 1 A 34 34 THR H H 34 7.753 7.934 -0.181 1
1 320 . 6 1 1 A 34 34 THR HA H 34 4.151 3.985 0.166 1
1 325 . 6 1 1 A 34 34 THR C C 34 175.449 174.337 1.112 1
1 326 . 6 1 1 A 34 34 THR CA C 34 63.751 64.332 -0.581 1
1 327 . 6 1 1 A 34 34 THR CB C 34 69.354 68.627 0.727 1
1 329 . 6 1 1 A 34 34 THR N N 34 109.516 113.990 -4.474 1
1 330 . 6 1 1 A 35 35 HIS H H 35 7.153 7.990 -0.837 1
1 331 . 6 1 1 A 35 35 HIS HA H 35 4.874 4.845 0.029 1
1 336 . 6 1 1 A 35 35 HIS C C 35 175.240 175.469 -0.229 1
1 337 . 6 1 1 A 35 35 HIS CA C 35 55.228 55.994 -0.766 1
1 338 . 6 1 1 A 35 35 HIS CB C 35 28.899 31.540 -2.641 1
1 341 . 6 1 1 A 35 35 HIS N N 35 118.672 118.460 0.212 1
1 342 . 6 1 1 A 36 36 SER H H 36 7.936 8.746 -0.810 1
1 345 . 6 1 1 A 36 36 SER C C 36 175.155 174.618 0.537 1
1 346 . 6 1 1 A 36 36 SER CA C 36 58.865 57.283 1.582 1
1 347 . 6 1 1 A 36 36 SER CB C 36 63.926 64.916 -0.990 1
1 348 . 6 1 1 A 36 36 SER N N 36 115.177 115.879 -0.702 1
1 349 . 6 1 1 A 37 37 GLY HA2 H 37 4.000 3.925 0.075 1
1 350 . 6 1 1 A 37 37 GLY HA3 H 37 3.924 3.926 -0.002 1
1 351 . 6 1 1 A 37 37 GLY C C 37 174.151 174.206 -0.055 1
1 352 . 6 1 1 A 37 37 GLY CA C 37 45.327 45.804 -0.477 1
1 353 . 6 1 1 A 38 38 GLN H H 38 8.214 8.011 0.203 1
1 354 . 6 1 1 A 38 38 GLN HA H 38 4.419 4.271 0.148 1
1 360 . 6 1 1 A 38 38 GLN C C 38 176.047 175.132 0.915 1
1 361 . 6 1 1 A 38 38 GLN CA C 38 55.808 56.980 -1.172 1
1 362 . 6 1 1 A 38 38 GLN CB C 38 29.587 29.329 0.258 1
1 364 . 6 1 1 A 38 38 GLN N N 38 119.770 124.154 -4.384 1
1 366 . 6 1 1 A 39 39 SER H H 39 8.420 8.932 -0.512 1
1 367 . 6 1 1 A 39 39 SER HA H 39 4.510 4.910 -0.400 1
1 370 . 6 1 1 A 39 39 SER C C 39 174.504 173.882 0.622 1
1 371 . 6 1 1 A 39 39 SER CA C 39 58.371 57.537 0.834 1
1 372 . 6 1 1 A 39 39 SER CB C 39 64.007 63.199 0.808 1
1 373 . 6 1 1 A 39 39 SER N N 39 117.120 124.683 -7.563 1
1 374 . 6 1 1 A 40 40 GLY H H 40 8.269 8.432 -0.163 1
1 375 . 6 1 1 A 40 40 GLY HA2 H 40 4.108 4.177 -0.069 1
1 376 . 6 1 1 A 40 40 GLY HA3 H 40 4.182 4.177 0.005 1
1 377 . 6 1 1 A 40 40 GLY C C 40 171.768 173.784 -2.016 1
1 378 . 6 1 1 A 40 40 GLY CA C 40 44.645 45.560 -0.915 1
1 379 . 6 1 1 A 40 40 GLY N N 40 110.759 112.402 -1.643 1
1 380 . 6 1 1 A 41 41 PRO HA H 41 4.490 4.496 -0.006 1
1 387 . 6 1 1 A 41 41 PRO C C 41 177.377 176.537 0.840 1
1 388 . 6 1 1 A 41 41 PRO CA C 41 63.244 64.144 -0.900 1
1 389 . 6 1 1 A 41 41 PRO CB C 41 32.185 31.756 0.429 1
1 392 . 6 1 1 A 42 42 SER H H 42 8.514 7.722 0.792 1
1 393 . 6 1 1 A 42 42 SER C C 42 174.655 174.459 0.196 1
1 394 . 6 1 1 A 42 42 SER CA C 42 58.447 57.452 0.995 1
1 395 . 6 1 1 A 42 42 SER CB C 42 64.027 65.045 -1.018 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 4.008 3.935 0.073 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.008 3.936 0.072 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.487 174.527 -0.040 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.536 44.942 0.594 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.161 8.609 -0.448 1
1 6 . 7 1 1 A 8 8 THR HA H 8 4.393 4.433 -0.040 1
1 11 . 7 1 1 A 8 8 THR C C 8 175.248 174.265 0.983 1
1 12 . 7 1 1 A 8 8 THR CA C 8 61.821 63.739 -1.918 1
1 13 . 7 1 1 A 8 8 THR CB C 8 69.873 71.062 -1.189 1
1 15 . 7 1 1 A 8 8 THR N N 8 112.733 115.220 -2.487 1
1 16 . 7 1 1 A 9 9 GLY H H 9 8.469 7.382 1.087 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 4.008 4.042 -0.034 1
1 18 . 7 1 1 A 9 9 GLY HA3 H 9 4.008 4.047 -0.039 1
1 19 . 7 1 1 A 9 9 GLY C C 9 174.052 173.241 0.811 1
1 20 . 7 1 1 A 9 9 GLY CA C 9 45.528 45.730 -0.202 1
1 21 . 7 1 1 A 9 9 GLY N N 9 111.035 107.327 3.708 1
1 22 . 7 1 1 A 10 10 GLU H H 10 8.214 9.063 -0.849 1
1 23 . 7 1 1 A 10 10 GLU HA H 10 4.246 4.657 -0.411 1
1 28 . 7 1 1 A 10 10 GLU C C 10 175.942 174.752 1.190 1
1 29 . 7 1 1 A 10 10 GLU CA C 10 56.603 55.595 1.008 1
1 30 . 7 1 1 A 10 10 GLU CB C 10 30.592 30.371 0.221 1
1 32 . 7 1 1 A 10 10 GLU N N 10 119.967 124.168 -4.201 1
1 33 . 7 1 1 A 11 11 ASN H H 11 8.407 7.593 0.814 1
1 34 . 7 1 1 A 11 11 ASN HA H 11 4.947 5.191 -0.244 1
1 39 . 7 1 1 A 11 11 ASN C C 11 172.759 175.320 -2.561 1
1 40 . 7 1 1 A 11 11 ASN CA C 11 51.229 49.665 1.564 1
1 41 . 7 1 1 A 11 11 ASN CB C 11 39.486 39.816 -0.330 1
1 42 . 7 1 1 A 11 11 ASN N N 11 119.687 117.287 2.400 1
1 44 . 7 1 1 A 12 12 PRO HA H 12 4.295 4.280 0.015 1
1 51 . 7 1 1 A 12 12 PRO C C 12 176.280 175.668 0.612 1
1 52 . 7 1 1 A 12 12 PRO CA C 12 63.512 63.916 -0.404 1
1 53 . 7 1 1 A 12 12 PRO CB C 12 32.183 31.287 0.896 1
1 56 . 7 1 1 A 13 13 TYR H H 13 8.160 7.449 0.711 1
1 57 . 7 1 1 A 13 13 TYR HA H 13 4.694 5.182 -0.488 1
1 64 . 7 1 1 A 13 13 TYR C C 13 173.960 174.211 -0.251 1
1 65 . 7 1 1 A 13 13 TYR CA C 13 56.912 56.588 0.324 1
1 66 . 7 1 1 A 13 13 TYR CB C 13 38.357 40.666 -2.309 1
1 71 . 7 1 1 A 13 13 TYR N N 13 118.775 118.103 0.672 1
1 72 . 7 1 1 A 14 14 GLU H H 14 8.335 9.191 -0.856 1
1 73 . 7 1 1 A 14 14 GLU HA H 14 5.017 5.404 -0.387 1
1 78 . 7 1 1 A 14 14 GLU C C 14 175.182 174.768 0.414 1
1 79 . 7 1 1 A 14 14 GLU CA C 14 54.455 54.773 -0.318 1
1 80 . 7 1 1 A 14 14 GLU CB C 14 33.214 33.607 -0.393 1
1 82 . 7 1 1 A 14 14 GLU N N 14 123.792 125.471 -1.679 1
1 83 . 7 1 1 A 15 15 CYS H H 15 9.398 9.193 0.205 1
1 84 . 7 1 1 A 15 15 CYS HA H 15 4.648 4.596 0.052 1
1 87 . 7 1 1 A 15 15 CYS C C 15 177.220 175.420 1.800 1
1 88 . 7 1 1 A 15 15 CYS CA C 15 59.337 58.434 0.903 1
1 89 . 7 1 1 A 15 15 CYS CB C 15 29.644 26.561 3.083 1
1 90 . 7 1 1 A 15 15 CYS N N 15 127.444 125.948 1.496 1
1 91 . 7 1 1 A 16 16 CYS H H 16 9.319 8.362 0.957 1
1 92 . 7 1 1 A 16 16 CYS HA H 16 4.475 4.410 0.065 1
1 95 . 7 1 1 A 16 16 CYS C C 16 174.596 176.893 -2.297 1
1 96 . 7 1 1 A 16 16 CYS CA C 16 60.515 62.412 -1.897 1
1 97 . 7 1 1 A 16 16 CYS CB C 16 27.201 27.445 -0.244 1
1 98 . 7 1 1 A 16 16 CYS N N 16 130.435 126.109 4.326 1
1 99 . 7 1 1 A 17 17 GLU H H 17 8.688 8.236 0.452 1
1 100 . 7 1 1 A 17 17 GLU HA H 17 4.287 3.931 0.356 1
1 105 . 7 1 1 A 17 17 GLU C C 17 177.134 178.143 -1.009 1
1 106 . 7 1 1 A 17 17 GLU CA C 17 58.287 59.387 -1.100 1
1 107 . 7 1 1 A 17 17 GLU CB C 17 29.747 28.872 0.875 1
1 109 . 7 1 1 A 17 17 GLU N N 17 122.479 120.758 1.721 1
1 110 . 7 1 1 A 18 18 CYS H H 18 7.912 7.506 0.406 1
1 111 . 7 1 1 A 18 18 CYS HA H 18 5.182 4.570 0.612 1
1 114 . 7 1 1 A 18 18 CYS C C 18 176.224 175.253 0.971 1
1 115 . 7 1 1 A 18 18 CYS CA C 18 58.452 59.594 -1.142 1
1 116 . 7 1 1 A 18 18 CYS CB C 18 32.577 29.530 3.047 1
1 117 . 7 1 1 A 18 18 CYS N N 18 114.583 114.694 -0.111 1
1 118 . 7 1 1 A 19 19 GLY H H 19 8.302 8.362 -0.060 1
1 119 . 7 1 1 A 19 19 GLY HA2 H 19 3.918 4.077 -0.159 1
1 120 . 7 1 1 A 19 19 GLY HA3 H 19 4.235 4.086 0.149 1
1 121 . 7 1 1 A 19 19 GLY C C 19 173.879 174.278 -0.399 1
1 122 . 7 1 1 A 19 19 GLY CA C 19 46.133 45.230 0.903 1
1 123 . 7 1 1 A 19 19 GLY N N 19 113.493 110.282 3.211 1
1 124 . 7 1 1 A 20 20 LYS H H 20 7.918 7.965 -0.047 1
1 125 . 7 1 1 A 20 20 LYS HA H 20 4.006 4.648 -0.642 1
1 134 . 7 1 1 A 20 20 LYS C C 20 174.253 175.315 -1.062 1
1 135 . 7 1 1 A 20 20 LYS CA C 20 58.177 55.321 2.856 1
1 136 . 7 1 1 A 20 20 LYS CB C 20 33.916 34.269 -0.353 1
1 140 . 7 1 1 A 20 20 LYS N N 20 122.419 121.514 0.905 1
1 141 . 7 1 1 A 21 21 VAL H H 21 7.565 8.201 -0.636 1
1 142 . 7 1 1 A 21 21 VAL HA H 21 4.798 5.114 -0.316 1
1 150 . 7 1 1 A 21 21 VAL C C 21 175.151 174.374 0.777 1
1 151 . 7 1 1 A 21 21 VAL CA C 21 60.194 60.556 -0.362 1
1 152 . 7 1 1 A 21 21 VAL CB C 21 34.074 35.503 -1.429 1
1 155 . 7 1 1 A 21 21 VAL N N 21 116.838 123.831 -6.993 1
1 156 . 7 1 1 A 22 22 PHE H H 22 8.603 8.650 -0.047 1
1 157 . 7 1 1 A 22 22 PHE HA H 22 4.787 5.033 -0.246 1
1 165 . 7 1 1 A 22 22 PHE C C 22 175.198 175.707 -0.509 1
1 166 . 7 1 1 A 22 22 PHE CA C 22 56.970 56.572 0.398 1
1 167 . 7 1 1 A 22 22 PHE CB C 22 43.313 43.989 -0.676 1
1 173 . 7 1 1 A 22 22 PHE N N 22 121.088 124.336 -3.248 1
1 174 . 7 1 1 A 23 23 SER H H 23 8.908 9.045 -0.137 1
1 175 . 7 1 1 A 23 23 SER HA H 23 4.678 4.734 -0.056 1
1 178 . 7 1 1 A 23 23 SER C C 23 174.535 174.597 -0.062 1
1 179 . 7 1 1 A 23 23 SER CA C 23 60.208 59.879 0.329 1
1 180 . 7 1 1 A 23 23 SER CB C 23 64.284 64.523 -0.239 1
1 181 . 7 1 1 A 23 23 SER N N 23 115.507 115.952 -0.445 1
1 182 . 7 1 1 A 24 24 ARG H H 24 7.696 7.848 -0.152 1
1 183 . 7 1 1 A 24 24 ARG HA H 24 4.727 4.441 0.286 1
1 190 . 7 1 1 A 24 24 ARG C C 24 176.245 175.595 0.650 1
1 191 . 7 1 1 A 24 24 ARG CA C 24 54.240 54.225 0.015 1
1 192 . 7 1 1 A 24 24 ARG CB C 24 35.386 33.126 2.260 1
1 195 . 7 1 1 A 24 24 ARG N N 24 117.322 118.846 -1.524 1
1 196 . 7 1 1 A 25 25 LYS H H 25 8.456 8.049 0.407 1
1 197 . 7 1 1 A 25 25 LYS HA H 25 3.035 3.286 -0.251 1
1 206 . 7 1 1 A 25 25 LYS C C 25 177.886 177.523 0.363 1
1 207 . 7 1 1 A 25 25 LYS CA C 25 59.309 60.181 -0.872 1
1 208 . 7 1 1 A 25 25 LYS CB C 25 31.983 31.801 0.182 1
1 212 . 7 1 1 A 25 25 LYS N N 25 125.034 124.289 0.745 1
1 213 . 7 1 1 A 26 26 ASP H H 26 8.540 8.338 0.202 1
1 214 . 7 1 1 A 26 26 ASP HA H 26 4.142 4.313 -0.171 1
1 217 . 7 1 1 A 26 26 ASP C C 26 178.695 178.699 -0.004 1
1 218 . 7 1 1 A 26 26 ASP CA C 26 56.780 56.773 0.007 1
1 219 . 7 1 1 A 26 26 ASP CB C 26 39.330 40.293 -0.963 1
1 220 . 7 1 1 A 26 26 ASP N N 26 114.989 117.642 -2.653 1
1 221 . 7 1 1 A 27 27 GLN H H 27 6.981 7.756 -0.775 1
1 222 . 7 1 1 A 27 27 GLN HA H 27 3.987 4.011 -0.024 1
1 229 . 7 1 1 A 27 27 GLN C C 27 178.473 178.207 0.266 1
1 230 . 7 1 1 A 27 27 GLN CA C 27 57.612 58.555 -0.943 1
1 231 . 7 1 1 A 27 27 GLN CB C 27 28.915 28.303 0.612 1
1 233 . 7 1 1 A 27 27 GLN N N 27 119.394 118.413 0.981 1
1 235 . 7 1 1 A 28 28 LEU H H 28 6.969 7.860 -0.891 1
1 236 . 7 1 1 A 28 28 LEU HA H 28 3.249 2.817 0.432 1
1 246 . 7 1 1 A 28 28 LEU C C 28 177.627 178.358 -0.731 1
1 247 . 7 1 1 A 28 28 LEU CA C 28 57.956 57.272 0.684 1
1 248 . 7 1 1 A 28 28 LEU CB C 28 40.568 41.229 -0.661 1
1 252 . 7 1 1 A 28 28 LEU N N 28 121.993 121.987 0.006 1
1 253 . 7 1 1 A 29 29 VAL H H 29 8.261 8.111 0.150 1
1 254 . 7 1 1 A 29 29 VAL HA H 29 3.704 3.426 0.278 1
1 262 . 7 1 1 A 29 29 VAL C C 29 179.259 177.860 1.399 1
1 263 . 7 1 1 A 29 29 VAL CA C 29 66.532 66.943 -0.411 1
1 264 . 7 1 1 A 29 29 VAL CB C 29 31.765 31.472 0.293 1
1 267 . 7 1 1 A 29 29 VAL N N 29 119.585 119.344 0.241 1
1 268 . 7 1 1 A 30 30 SER H H 30 7.721 7.808 -0.087 1
1 269 . 7 1 1 A 30 30 SER HA H 30 4.104 4.012 0.092 1
1 272 . 7 1 1 A 30 30 SER C C 30 177.207 176.859 0.348 1
1 273 . 7 1 1 A 30 30 SER CA C 30 61.647 61.502 0.145 1
1 274 . 7 1 1 A 30 30 SER CB C 30 62.575 63.102 -0.527 1
1 275 . 7 1 1 A 30 30 SER N N 30 113.762 114.484 -0.722 1
1 276 . 7 1 1 A 31 31 HIS H H 31 7.676 7.344 0.332 1
1 277 . 7 1 1 A 31 31 HIS HA H 31 4.271 4.278 -0.007 1
1 282 . 7 1 1 A 31 31 HIS C C 31 177.982 176.670 1.312 1
1 283 . 7 1 1 A 31 31 HIS CA C 31 59.051 59.648 -0.597 1
1 284 . 7 1 1 A 31 31 HIS CB C 31 28.436 29.924 -1.488 1
1 287 . 7 1 1 A 31 31 HIS N N 31 120.492 120.963 -0.471 1
1 288 . 7 1 1 A 32 32 GLN H H 32 8.881 8.568 0.313 1
1 289 . 7 1 1 A 32 32 GLN HA H 32 3.718 3.870 -0.152 1
1 296 . 7 1 1 A 32 32 GLN C C 32 177.983 178.407 -0.424 1
1 297 . 7 1 1 A 32 32 GLN CA C 32 59.912 59.021 0.891 1
1 298 . 7 1 1 A 32 32 GLN CB C 32 28.124 28.329 -0.205 1
1 300 . 7 1 1 A 32 32 GLN N N 32 120.621 117.002 3.619 1
1 302 . 7 1 1 A 33 33 LYS H H 33 7.245 7.704 -0.459 1
1 303 . 7 1 1 A 33 33 LYS HA H 33 4.151 3.942 0.209 1
1 312 . 7 1 1 A 33 33 LYS C C 33 178.380 178.556 -0.176 1
1 313 . 7 1 1 A 33 33 LYS CA C 33 58.671 59.189 -0.518 1
1 314 . 7 1 1 A 33 33 LYS CB C 33 32.152 32.251 -0.099 1
1 318 . 7 1 1 A 33 33 LYS N N 33 117.710 120.261 -2.551 1
1 319 . 7 1 1 A 34 34 THR H H 34 7.753 8.384 -0.631 1
1 320 . 7 1 1 A 34 34 THR HA H 34 4.151 4.023 0.128 1
1 325 . 7 1 1 A 34 34 THR C C 34 175.449 174.890 0.559 1
1 326 . 7 1 1 A 34 34 THR CA C 34 63.751 65.224 -1.473 1
1 327 . 7 1 1 A 34 34 THR CB C 34 69.354 67.811 1.543 1
1 329 . 7 1 1 A 34 34 THR N N 34 109.516 112.566 -3.050 1
1 330 . 7 1 1 A 35 35 HIS H H 35 7.153 7.867 -0.714 1
1 331 . 7 1 1 A 35 35 HIS HA H 35 4.874 4.659 0.215 1
1 336 . 7 1 1 A 35 35 HIS C C 35 175.240 174.365 0.875 1
1 337 . 7 1 1 A 35 35 HIS CA C 35 55.228 54.822 0.406 1
1 338 . 7 1 1 A 35 35 HIS CB C 35 28.899 28.003 0.896 1
1 341 . 7 1 1 A 35 35 HIS N N 35 118.672 120.686 -2.014 1
1 342 . 7 1 1 A 36 36 SER H H 36 7.936 8.174 -0.238 1
1 345 . 7 1 1 A 36 36 SER C C 36 175.155 174.519 0.636 1
1 346 . 7 1 1 A 36 36 SER CA C 36 58.865 57.635 1.230 1
1 347 . 7 1 1 A 36 36 SER CB C 36 63.926 65.682 -1.756 1
1 348 . 7 1 1 A 36 36 SER N N 36 115.177 117.603 -2.426 1
1 349 . 7 1 1 A 37 37 GLY HA2 H 37 4.000 4.301 -0.301 1
1 350 . 7 1 1 A 37 37 GLY HA3 H 37 3.924 4.306 -0.382 1
1 351 . 7 1 1 A 37 37 GLY C C 37 174.151 174.789 -0.638 1
1 352 . 7 1 1 A 37 37 GLY CA C 37 45.327 44.822 0.505 1
1 353 . 7 1 1 A 38 38 GLN H H 38 8.214 8.922 -0.708 1
1 354 . 7 1 1 A 38 38 GLN HA H 38 4.419 4.197 0.222 1
1 360 . 7 1 1 A 38 38 GLN C C 38 176.047 176.436 -0.389 1
1 361 . 7 1 1 A 38 38 GLN CA C 38 55.808 58.186 -2.378 1
1 362 . 7 1 1 A 38 38 GLN CB C 38 29.587 28.093 1.494 1
1 364 . 7 1 1 A 38 38 GLN N N 38 119.770 121.503 -1.733 1
1 366 . 7 1 1 A 39 39 SER H H 39 8.420 7.919 0.501 1
1 367 . 7 1 1 A 39 39 SER HA H 39 4.510 4.456 0.054 1
1 370 . 7 1 1 A 39 39 SER C C 39 174.504 175.356 -0.852 1
1 371 . 7 1 1 A 39 39 SER CA C 39 58.371 59.563 -1.192 1
1 372 . 7 1 1 A 39 39 SER CB C 39 64.007 63.055 0.952 1
1 373 . 7 1 1 A 39 39 SER N N 39 117.120 114.911 2.209 1
1 374 . 7 1 1 A 40 40 GLY H H 40 8.269 9.002 -0.733 1
1 375 . 7 1 1 A 40 40 GLY HA2 H 40 4.108 3.951 0.157 1
1 376 . 7 1 1 A 40 40 GLY HA3 H 40 4.182 3.951 0.231 1
1 377 . 7 1 1 A 40 40 GLY C C 40 171.768 175.449 -3.681 1
1 378 . 7 1 1 A 40 40 GLY CA C 40 44.645 46.898 -2.253 1
1 379 . 7 1 1 A 40 40 GLY N N 40 110.759 114.580 -3.821 1
1 380 . 7 1 1 A 41 41 PRO HA H 41 4.490 4.336 0.154 1
1 387 . 7 1 1 A 41 41 PRO C C 41 177.377 177.108 0.269 1
1 388 . 7 1 1 A 41 41 PRO CA C 41 63.244 65.060 -1.816 1
1 389 . 7 1 1 A 41 41 PRO CB C 41 32.185 31.811 0.374 1
1 392 . 7 1 1 A 42 42 SER H H 42 8.514 7.950 0.564 1
1 393 . 7 1 1 A 42 42 SER C C 42 174.655 173.154 1.501 1
1 394 . 7 1 1 A 42 42 SER CA C 42 58.447 57.240 1.207 1
1 395 . 7 1 1 A 42 42 SER CB C 42 64.027 63.206 0.821 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 4.008 4.179 -0.171 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.008 4.180 -0.172 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.487 173.001 1.486 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.536 44.246 1.290 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.161 8.439 -0.278 1
1 6 . 8 1 1 A 8 8 THR HA H 8 4.393 4.894 -0.501 1
1 11 . 8 1 1 A 8 8 THR C C 8 175.248 174.278 0.970 1
1 12 . 8 1 1 A 8 8 THR CA C 8 61.821 60.166 1.655 1
1 13 . 8 1 1 A 8 8 THR CB C 8 69.873 71.057 -1.184 1
1 15 . 8 1 1 A 8 8 THR N N 8 112.733 115.313 -2.580 1
1 16 . 8 1 1 A 9 9 GLY H H 9 8.469 8.389 0.080 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 4.008 4.121 -0.113 1
1 18 . 8 1 1 A 9 9 GLY HA3 H 9 4.008 4.123 -0.115 1
1 19 . 8 1 1 A 9 9 GLY C C 9 174.052 172.237 1.815 1
1 20 . 8 1 1 A 9 9 GLY CA C 9 45.528 45.623 -0.095 1
1 21 . 8 1 1 A 9 9 GLY N N 9 111.035 111.816 -0.781 1
1 22 . 8 1 1 A 10 10 GLU H H 10 8.214 9.065 -0.851 1
1 23 . 8 1 1 A 10 10 GLU HA H 10 4.246 4.924 -0.678 1
1 28 . 8 1 1 A 10 10 GLU C C 10 175.942 174.987 0.955 1
1 29 . 8 1 1 A 10 10 GLU CA C 10 56.603 54.686 1.917 1
1 30 . 8 1 1 A 10 10 GLU CB C 10 30.592 33.567 -2.975 1
1 32 . 8 1 1 A 10 10 GLU N N 10 119.967 126.160 -6.193 1
1 33 . 8 1 1 A 11 11 ASN H H 11 8.407 8.796 -0.389 1
1 34 . 8 1 1 A 11 11 ASN HA H 11 4.947 5.249 -0.302 1
1 39 . 8 1 1 A 11 11 ASN C C 11 172.759 175.321 -2.562 1
1 40 . 8 1 1 A 11 11 ASN CA C 11 51.229 49.973 1.256 1
1 41 . 8 1 1 A 11 11 ASN CB C 11 39.486 39.799 -0.313 1
1 42 . 8 1 1 A 11 11 ASN N N 11 119.687 122.183 -2.496 1
1 44 . 8 1 1 A 12 12 PRO HA H 12 4.295 4.302 -0.007 1
1 51 . 8 1 1 A 12 12 PRO C C 12 176.280 175.535 0.745 1
1 52 . 8 1 1 A 12 12 PRO CA C 12 63.512 63.838 -0.326 1
1 53 . 8 1 1 A 12 12 PRO CB C 12 32.183 31.182 1.001 1
1 56 . 8 1 1 A 13 13 TYR H H 13 8.160 7.524 0.636 1
1 57 . 8 1 1 A 13 13 TYR HA H 13 4.694 5.331 -0.637 1
1 64 . 8 1 1 A 13 13 TYR C C 13 173.960 174.299 -0.339 1
1 65 . 8 1 1 A 13 13 TYR CA C 13 56.912 56.709 0.203 1
1 66 . 8 1 1 A 13 13 TYR CB C 13 38.357 40.977 -2.620 1
1 71 . 8 1 1 A 13 13 TYR N N 13 118.775 118.992 -0.217 1
1 72 . 8 1 1 A 14 14 GLU H H 14 8.335 9.038 -0.703 1
1 73 . 8 1 1 A 14 14 GLU HA H 14 5.017 5.084 -0.067 1
1 78 . 8 1 1 A 14 14 GLU C C 14 175.182 175.274 -0.092 1
1 79 . 8 1 1 A 14 14 GLU CA C 14 54.455 54.846 -0.391 1
1 80 . 8 1 1 A 14 14 GLU CB C 14 33.214 33.454 -0.240 1
1 82 . 8 1 1 A 14 14 GLU N N 14 123.792 124.993 -1.201 1
1 83 . 8 1 1 A 15 15 CYS H H 15 9.398 9.085 0.313 1
1 84 . 8 1 1 A 15 15 CYS HA H 15 4.648 4.516 0.132 1
1 87 . 8 1 1 A 15 15 CYS C C 15 177.220 175.601 1.619 1
1 88 . 8 1 1 A 15 15 CYS CA C 15 59.337 59.351 -0.014 1
1 89 . 8 1 1 A 15 15 CYS CB C 15 29.644 28.236 1.408 1
1 90 . 8 1 1 A 15 15 CYS N N 15 127.444 125.657 1.787 1
1 91 . 8 1 1 A 16 16 CYS H H 16 9.319 8.964 0.355 1
1 92 . 8 1 1 A 16 16 CYS HA H 16 4.475 4.553 -0.078 1
1 95 . 8 1 1 A 16 16 CYS C C 16 174.596 175.676 -1.080 1
1 96 . 8 1 1 A 16 16 CYS CA C 16 60.515 58.677 1.838 1
1 97 . 8 1 1 A 16 16 CYS CB C 16 27.201 26.268 0.933 1
1 98 . 8 1 1 A 16 16 CYS N N 16 130.435 127.295 3.140 1
1 99 . 8 1 1 A 17 17 GLU H H 17 8.688 7.990 0.698 1
1 100 . 8 1 1 A 17 17 GLU HA H 17 4.287 4.527 -0.240 1
1 105 . 8 1 1 A 17 17 GLU C C 17 177.134 177.939 -0.805 1
1 106 . 8 1 1 A 17 17 GLU CA C 17 58.287 57.119 1.168 1
1 107 . 8 1 1 A 17 17 GLU CB C 17 29.747 32.143 -2.396 1
1 109 . 8 1 1 A 17 17 GLU N N 17 122.479 122.430 0.049 1
1 110 . 8 1 1 A 18 18 CYS H H 18 7.912 7.566 0.346 1
1 111 . 8 1 1 A 18 18 CYS HA H 18 5.182 4.789 0.393 1
1 114 . 8 1 1 A 18 18 CYS C C 18 176.224 175.489 0.735 1
1 115 . 8 1 1 A 18 18 CYS CA C 18 58.452 59.504 -1.052 1
1 116 . 8 1 1 A 18 18 CYS CB C 18 32.577 30.037 2.540 1
1 117 . 8 1 1 A 18 18 CYS N N 18 114.583 114.491 0.092 1
1 118 . 8 1 1 A 19 19 GLY H H 19 8.302 8.087 0.215 1
1 119 . 8 1 1 A 19 19 GLY HA2 H 19 3.918 4.065 -0.147 1
1 120 . 8 1 1 A 19 19 GLY HA3 H 19 4.235 4.068 0.167 1
1 121 . 8 1 1 A 19 19 GLY C C 19 173.879 174.126 -0.247 1
1 122 . 8 1 1 A 19 19 GLY CA C 19 46.133 45.311 0.822 1
1 123 . 8 1 1 A 19 19 GLY N N 19 113.493 109.914 3.579 1
1 124 . 8 1 1 A 20 20 LYS H H 20 7.918 7.881 0.037 1
1 125 . 8 1 1 A 20 20 LYS HA H 20 4.006 4.457 -0.451 1
1 134 . 8 1 1 A 20 20 LYS C C 20 174.253 174.974 -0.721 1
1 135 . 8 1 1 A 20 20 LYS CA C 20 58.177 54.546 3.631 1
1 136 . 8 1 1 A 20 20 LYS CB C 20 33.916 34.560 -0.644 1
1 140 . 8 1 1 A 20 20 LYS N N 20 122.419 119.166 3.253 1
1 141 . 8 1 1 A 21 21 VAL H H 21 7.565 8.549 -0.984 1
1 142 . 8 1 1 A 21 21 VAL HA H 21 4.798 4.702 0.096 1
1 150 . 8 1 1 A 21 21 VAL C C 21 175.151 174.698 0.453 1
1 151 . 8 1 1 A 21 21 VAL CA C 21 60.194 61.285 -1.091 1
1 152 . 8 1 1 A 21 21 VAL CB C 21 34.074 33.111 0.963 1
1 155 . 8 1 1 A 21 21 VAL N N 21 116.838 124.460 -7.622 1
1 156 . 8 1 1 A 22 22 PHE H H 22 8.603 8.530 0.073 1
1 157 . 8 1 1 A 22 22 PHE HA H 22 4.787 4.987 -0.200 1
1 165 . 8 1 1 A 22 22 PHE C C 22 175.198 175.637 -0.439 1
1 166 . 8 1 1 A 22 22 PHE CA C 22 56.970 56.325 0.645 1
1 167 . 8 1 1 A 22 22 PHE CB C 22 43.313 43.921 -0.608 1
1 173 . 8 1 1 A 22 22 PHE N N 22 121.088 124.942 -3.854 1
1 174 . 8 1 1 A 23 23 SER H H 23 8.908 9.145 -0.237 1
1 175 . 8 1 1 A 23 23 SER HA H 23 4.678 4.666 0.012 1
1 178 . 8 1 1 A 23 23 SER C C 23 174.535 173.485 1.050 1
1 179 . 8 1 1 A 23 23 SER CA C 23 60.208 59.949 0.259 1
1 180 . 8 1 1 A 23 23 SER CB C 23 64.284 64.445 -0.161 1
1 181 . 8 1 1 A 23 23 SER N N 23 115.507 117.124 -1.617 1
1 182 . 8 1 1 A 24 24 ARG H H 24 7.696 7.736 -0.040 1
1 183 . 8 1 1 A 24 24 ARG HA H 24 4.727 4.471 0.256 1
1 190 . 8 1 1 A 24 24 ARG C C 24 176.245 175.621 0.624 1
1 191 . 8 1 1 A 24 24 ARG CA C 24 54.240 54.173 0.067 1
1 192 . 8 1 1 A 24 24 ARG CB C 24 35.386 32.675 2.711 1
1 195 . 8 1 1 A 24 24 ARG N N 24 117.322 118.514 -1.192 1
1 196 . 8 1 1 A 25 25 LYS H H 25 8.456 7.864 0.592 1
1 197 . 8 1 1 A 25 25 LYS HA H 25 3.035 3.078 -0.043 1
1 206 . 8 1 1 A 25 25 LYS C C 25 177.886 177.545 0.341 1
1 207 . 8 1 1 A 25 25 LYS CA C 25 59.309 59.807 -0.498 1
1 208 . 8 1 1 A 25 25 LYS CB C 25 31.983 31.886 0.097 1
1 212 . 8 1 1 A 25 25 LYS N N 25 125.034 125.243 -0.209 1
1 213 . 8 1 1 A 26 26 ASP H H 26 8.540 8.181 0.359 1
1 214 . 8 1 1 A 26 26 ASP HA H 26 4.142 4.151 -0.009 1
1 217 . 8 1 1 A 26 26 ASP C C 26 178.695 178.581 0.114 1
1 218 . 8 1 1 A 26 26 ASP CA C 26 56.780 57.306 -0.526 1
1 219 . 8 1 1 A 26 26 ASP CB C 26 39.330 40.147 -0.817 1
1 220 . 8 1 1 A 26 26 ASP N N 26 114.989 118.926 -3.937 1
1 221 . 8 1 1 A 27 27 GLN H H 27 6.981 8.206 -1.225 1
1 222 . 8 1 1 A 27 27 GLN HA H 27 3.987 3.879 0.108 1
1 229 . 8 1 1 A 27 27 GLN C C 27 178.473 177.772 0.701 1
1 230 . 8 1 1 A 27 27 GLN CA C 27 57.612 58.396 -0.784 1
1 231 . 8 1 1 A 27 27 GLN CB C 27 28.915 28.237 0.678 1
1 233 . 8 1 1 A 27 27 GLN N N 27 119.394 118.078 1.316 1
1 235 . 8 1 1 A 28 28 LEU H H 28 6.969 7.697 -0.728 1
1 236 . 8 1 1 A 28 28 LEU HA H 28 3.249 3.024 0.225 1
1 246 . 8 1 1 A 28 28 LEU C C 28 177.627 178.438 -0.811 1
1 247 . 8 1 1 A 28 28 LEU CA C 28 57.956 57.372 0.584 1
1 248 . 8 1 1 A 28 28 LEU CB C 28 40.568 41.467 -0.899 1
1 252 . 8 1 1 A 28 28 LEU N N 28 121.993 121.699 0.294 1
1 253 . 8 1 1 A 29 29 VAL H H 29 8.261 8.060 0.201 1
1 254 . 8 1 1 A 29 29 VAL HA H 29 3.704 3.473 0.231 1
1 262 . 8 1 1 A 29 29 VAL C C 29 179.259 177.977 1.282 1
1 263 . 8 1 1 A 29 29 VAL CA C 29 66.532 66.972 -0.440 1
1 264 . 8 1 1 A 29 29 VAL CB C 29 31.765 31.460 0.305 1
1 267 . 8 1 1 A 29 29 VAL N N 29 119.585 119.778 -0.193 1
1 268 . 8 1 1 A 30 30 SER H H 30 7.721 7.698 0.023 1
1 269 . 8 1 1 A 30 30 SER HA H 30 4.104 4.072 0.032 1
1 272 . 8 1 1 A 30 30 SER C C 30 177.207 176.838 0.369 1
1 273 . 8 1 1 A 30 30 SER CA C 30 61.647 60.991 0.656 1
1 274 . 8 1 1 A 30 30 SER CB C 30 62.575 63.054 -0.479 1
1 275 . 8 1 1 A 30 30 SER N N 30 113.762 114.351 -0.589 1
1 276 . 8 1 1 A 31 31 HIS H H 31 7.676 7.429 0.247 1
1 277 . 8 1 1 A 31 31 HIS HA H 31 4.271 4.321 -0.050 1
1 282 . 8 1 1 A 31 31 HIS C C 31 177.982 177.618 0.364 1
1 283 . 8 1 1 A 31 31 HIS CA C 31 59.051 59.496 -0.445 1
1 284 . 8 1 1 A 31 31 HIS CB C 31 28.436 29.631 -1.195 1
1 287 . 8 1 1 A 31 31 HIS N N 31 120.492 120.599 -0.107 1
1 288 . 8 1 1 A 32 32 GLN H H 32 8.881 8.536 0.345 1
1 289 . 8 1 1 A 32 32 GLN HA H 32 3.718 4.053 -0.335 1
1 296 . 8 1 1 A 32 32 GLN C C 32 177.983 178.997 -1.014 1
1 297 . 8 1 1 A 32 32 GLN CA C 32 59.912 59.043 0.869 1
1 298 . 8 1 1 A 32 32 GLN CB C 32 28.124 28.462 -0.338 1
1 300 . 8 1 1 A 32 32 GLN N N 32 120.621 118.451 2.170 1
1 302 . 8 1 1 A 33 33 LYS H H 33 7.245 7.440 -0.195 1
1 303 . 8 1 1 A 33 33 LYS HA H 33 4.151 4.062 0.089 1
1 312 . 8 1 1 A 33 33 LYS C C 33 178.380 177.131 1.249 1
1 313 . 8 1 1 A 33 33 LYS CA C 33 58.671 58.844 -0.173 1
1 314 . 8 1 1 A 33 33 LYS CB C 33 32.152 32.358 -0.206 1
1 318 . 8 1 1 A 33 33 LYS N N 33 117.710 119.688 -1.978 1
1 319 . 8 1 1 A 34 34 THR H H 34 7.753 7.874 -0.121 1
1 320 . 8 1 1 A 34 34 THR HA H 34 4.151 4.396 -0.245 1
1 325 . 8 1 1 A 34 34 THR C C 34 175.449 175.039 0.410 1
1 326 . 8 1 1 A 34 34 THR CA C 34 63.751 61.374 2.377 1
1 327 . 8 1 1 A 34 34 THR CB C 34 69.354 69.162 0.192 1
1 329 . 8 1 1 A 34 34 THR N N 34 109.516 114.304 -4.788 1
1 330 . 8 1 1 A 35 35 HIS H H 35 7.153 7.946 -0.793 1
1 331 . 8 1 1 A 35 35 HIS HA H 35 4.874 4.645 0.229 1
1 336 . 8 1 1 A 35 35 HIS C C 35 175.240 174.902 0.338 1
1 337 . 8 1 1 A 35 35 HIS CA C 35 55.228 56.848 -1.620 1
1 338 . 8 1 1 A 35 35 HIS CB C 35 28.899 31.777 -2.878 1
1 341 . 8 1 1 A 35 35 HIS N N 35 118.672 121.078 -2.406 1
1 342 . 8 1 1 A 36 36 SER H H 36 7.936 7.833 0.103 1
1 345 . 8 1 1 A 36 36 SER C C 36 175.155 173.971 1.184 1
1 346 . 8 1 1 A 36 36 SER CA C 36 58.865 57.940 0.925 1
1 347 . 8 1 1 A 36 36 SER CB C 36 63.926 62.035 1.891 1
1 348 . 8 1 1 A 36 36 SER N N 36 115.177 114.987 0.190 1
1 349 . 8 1 1 A 37 37 GLY HA2 H 37 4.000 4.133 -0.133 1
1 350 . 8 1 1 A 37 37 GLY HA3 H 37 3.924 4.139 -0.215 1
1 351 . 8 1 1 A 37 37 GLY C C 37 174.151 172.781 1.370 1
1 352 . 8 1 1 A 37 37 GLY CA C 37 45.327 45.726 -0.399 1
1 353 . 8 1 1 A 38 38 GLN H H 38 8.214 8.760 -0.546 1
1 354 . 8 1 1 A 38 38 GLN HA H 38 4.419 4.819 -0.400 1
1 360 . 8 1 1 A 38 38 GLN C C 38 176.047 176.314 -0.267 1
1 361 . 8 1 1 A 38 38 GLN CA C 38 55.808 53.827 1.981 1
1 362 . 8 1 1 A 38 38 GLN CB C 38 29.587 31.936 -2.349 1
1 364 . 8 1 1 A 38 38 GLN N N 38 119.770 120.285 -0.515 1
1 366 . 8 1 1 A 39 39 SER H H 39 8.420 8.897 -0.477 1
1 367 . 8 1 1 A 39 39 SER HA H 39 4.510 4.215 0.295 1
1 370 . 8 1 1 A 39 39 SER C C 39 174.504 174.899 -0.395 1
1 371 . 8 1 1 A 39 39 SER CA C 39 58.371 59.036 -0.665 1
1 372 . 8 1 1 A 39 39 SER CB C 39 64.007 61.228 2.779 1
1 373 . 8 1 1 A 39 39 SER N N 39 117.120 118.267 -1.147 1
1 374 . 8 1 1 A 40 40 GLY H H 40 8.269 8.007 0.262 1
1 375 . 8 1 1 A 40 40 GLY HA2 H 40 4.108 3.776 0.332 1
1 376 . 8 1 1 A 40 40 GLY HA3 H 40 4.182 3.777 0.405 1
1 377 . 8 1 1 A 40 40 GLY C C 40 171.768 174.850 -3.082 1
1 378 . 8 1 1 A 40 40 GLY CA C 40 44.645 47.857 -3.212 1
1 379 . 8 1 1 A 40 40 GLY N N 40 110.759 110.190 0.569 1
1 380 . 8 1 1 A 41 41 PRO HA H 41 4.490 4.453 0.037 1
1 387 . 8 1 1 A 41 41 PRO C C 41 177.377 176.781 0.596 1
1 388 . 8 1 1 A 41 41 PRO CA C 41 63.244 62.648 0.596 1
1 389 . 8 1 1 A 41 41 PRO CB C 41 32.185 32.509 -0.324 1
1 392 . 8 1 1 A 42 42 SER H H 42 8.514 8.855 -0.341 1
1 393 . 8 1 1 A 42 42 SER C C 42 174.655 174.862 -0.207 1
1 394 . 8 1 1 A 42 42 SER CA C 42 58.447 61.099 -2.652 1
1 395 . 8 1 1 A 42 42 SER CB C 42 64.027 63.962 0.065 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 4.008 3.970 0.038 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.008 3.971 0.037 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.487 175.170 -0.683 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.536 45.295 0.241 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.161 8.007 0.154 1
1 6 . 9 1 1 A 8 8 THR HA H 8 4.393 4.481 -0.088 1
1 11 . 9 1 1 A 8 8 THR C C 8 175.248 175.125 0.123 1
1 12 . 9 1 1 A 8 8 THR CA C 8 61.821 61.362 0.459 1
1 13 . 9 1 1 A 8 8 THR CB C 8 69.873 68.805 1.068 1
1 15 . 9 1 1 A 8 8 THR N N 8 112.733 114.400 -1.667 1
1 16 . 9 1 1 A 9 9 GLY H H 9 8.469 8.199 0.270 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 4.008 3.797 0.211 1
1 18 . 9 1 1 A 9 9 GLY HA3 H 9 4.008 3.798 0.210 1
1 19 . 9 1 1 A 9 9 GLY C C 9 174.052 173.683 0.369 1
1 20 . 9 1 1 A 9 9 GLY CA C 9 45.528 47.580 -2.052 1
1 21 . 9 1 1 A 9 9 GLY N N 9 111.035 111.823 -0.788 1
1 22 . 9 1 1 A 10 10 GLU H H 10 8.214 8.302 -0.088 1
1 23 . 9 1 1 A 10 10 GLU HA H 10 4.246 5.181 -0.935 1
1 28 . 9 1 1 A 10 10 GLU C C 10 175.942 174.719 1.223 1
1 29 . 9 1 1 A 10 10 GLU CA C 10 56.603 54.515 2.088 1
1 30 . 9 1 1 A 10 10 GLU CB C 10 30.592 33.297 -2.705 1
1 32 . 9 1 1 A 10 10 GLU N N 10 119.967 119.881 0.086 1
1 33 . 9 1 1 A 11 11 ASN H H 11 8.407 8.729 -0.322 1
1 34 . 9 1 1 A 11 11 ASN HA H 11 4.947 5.168 -0.221 1
1 39 . 9 1 1 A 11 11 ASN C C 11 172.759 175.139 -2.380 1
1 40 . 9 1 1 A 11 11 ASN CA C 11 51.229 49.804 1.425 1
1 41 . 9 1 1 A 11 11 ASN CB C 11 39.486 41.349 -1.863 1
1 42 . 9 1 1 A 11 11 ASN N N 11 119.687 117.966 1.721 1
1 44 . 9 1 1 A 12 12 PRO HA H 12 4.295 4.318 -0.023 1
1 51 . 9 1 1 A 12 12 PRO C C 12 176.280 175.642 0.638 1
1 52 . 9 1 1 A 12 12 PRO CA C 12 63.512 63.813 -0.301 1
1 53 . 9 1 1 A 12 12 PRO CB C 12 32.183 31.285 0.898 1
1 56 . 9 1 1 A 13 13 TYR H H 13 8.160 7.681 0.479 1
1 57 . 9 1 1 A 13 13 TYR HA H 13 4.694 4.941 -0.247 1
1 64 . 9 1 1 A 13 13 TYR C C 13 173.960 174.133 -0.173 1
1 65 . 9 1 1 A 13 13 TYR CA C 13 56.912 56.213 0.699 1
1 66 . 9 1 1 A 13 13 TYR CB C 13 38.357 37.949 0.408 1
1 71 . 9 1 1 A 13 13 TYR N N 13 118.775 117.689 1.086 1
1 72 . 9 1 1 A 14 14 GLU H H 14 8.335 8.610 -0.275 1
1 73 . 9 1 1 A 14 14 GLU HA H 14 5.017 5.091 -0.074 1
1 78 . 9 1 1 A 14 14 GLU C C 14 175.182 175.892 -0.710 1
1 79 . 9 1 1 A 14 14 GLU CA C 14 54.455 54.864 -0.409 1
1 80 . 9 1 1 A 14 14 GLU CB C 14 33.214 33.098 0.116 1
1 82 . 9 1 1 A 14 14 GLU N N 14 123.792 123.947 -0.155 1
1 83 . 9 1 1 A 15 15 CYS H H 15 9.398 9.169 0.229 1
1 84 . 9 1 1 A 15 15 CYS HA H 15 4.648 4.667 -0.019 1
1 87 . 9 1 1 A 15 15 CYS C C 15 177.220 175.934 1.286 1
1 88 . 9 1 1 A 15 15 CYS CA C 15 59.337 59.718 -0.381 1
1 89 . 9 1 1 A 15 15 CYS CB C 15 29.644 28.625 1.019 1
1 90 . 9 1 1 A 15 15 CYS N N 15 127.444 125.876 1.568 1
1 91 . 9 1 1 A 16 16 CYS H H 16 9.319 8.900 0.419 1
1 92 . 9 1 1 A 16 16 CYS HA H 16 4.475 4.694 -0.219 1
1 95 . 9 1 1 A 16 16 CYS C C 16 174.596 175.427 -0.831 1
1 96 . 9 1 1 A 16 16 CYS CA C 16 60.515 58.398 2.117 1
1 97 . 9 1 1 A 16 16 CYS CB C 16 27.201 28.007 -0.806 1
1 98 . 9 1 1 A 16 16 CYS N N 16 130.435 126.547 3.888 1
1 99 . 9 1 1 A 17 17 GLU H H 17 8.688 7.524 1.164 1
1 100 . 9 1 1 A 17 17 GLU HA H 17 4.287 4.379 -0.092 1
1 105 . 9 1 1 A 17 17 GLU C C 17 177.134 177.674 -0.540 1
1 106 . 9 1 1 A 17 17 GLU CA C 17 58.287 57.086 1.201 1
1 107 . 9 1 1 A 17 17 GLU CB C 17 29.747 30.694 -0.947 1
1 109 . 9 1 1 A 17 17 GLU N N 17 122.479 121.005 1.474 1
1 110 . 9 1 1 A 18 18 CYS H H 18 7.912 7.905 0.007 1
1 111 . 9 1 1 A 18 18 CYS HA H 18 5.182 4.658 0.524 1
1 114 . 9 1 1 A 18 18 CYS C C 18 176.224 175.530 0.694 1
1 115 . 9 1 1 A 18 18 CYS CA C 18 58.452 59.336 -0.884 1
1 116 . 9 1 1 A 18 18 CYS CB C 18 32.577 30.143 2.434 1
1 117 . 9 1 1 A 18 18 CYS N N 18 114.583 115.049 -0.466 1
1 118 . 9 1 1 A 19 19 GLY H H 19 8.302 8.415 -0.113 1
1 119 . 9 1 1 A 19 19 GLY HA2 H 19 3.918 4.065 -0.147 1
1 120 . 9 1 1 A 19 19 GLY HA3 H 19 4.235 4.080 0.155 1
1 121 . 9 1 1 A 19 19 GLY C C 19 173.879 174.316 -0.437 1
1 122 . 9 1 1 A 19 19 GLY CA C 19 46.133 45.919 0.214 1
1 123 . 9 1 1 A 19 19 GLY N N 19 113.493 109.670 3.823 1
1 124 . 9 1 1 A 20 20 LYS H H 20 7.918 7.864 0.054 1
1 125 . 9 1 1 A 20 20 LYS HA H 20 4.006 4.647 -0.641 1
1 134 . 9 1 1 A 20 20 LYS C C 20 174.253 175.196 -0.943 1
1 135 . 9 1 1 A 20 20 LYS CA C 20 58.177 54.623 3.554 1
1 136 . 9 1 1 A 20 20 LYS CB C 20 33.916 35.117 -1.201 1
1 140 . 9 1 1 A 20 20 LYS N N 20 122.419 119.766 2.653 1
1 141 . 9 1 1 A 21 21 VAL H H 21 7.565 8.696 -1.131 1
1 142 . 9 1 1 A 21 21 VAL HA H 21 4.798 4.723 0.075 1
1 150 . 9 1 1 A 21 21 VAL C C 21 175.151 174.540 0.611 1
1 151 . 9 1 1 A 21 21 VAL CA C 21 60.194 61.398 -1.204 1
1 152 . 9 1 1 A 21 21 VAL CB C 21 34.074 32.386 1.688 1
1 155 . 9 1 1 A 21 21 VAL N N 21 116.838 124.383 -7.545 1
1 156 . 9 1 1 A 22 22 PHE H H 22 8.603 8.900 -0.297 1
1 157 . 9 1 1 A 22 22 PHE HA H 22 4.787 4.998 -0.211 1
1 165 . 9 1 1 A 22 22 PHE C C 22 175.198 175.751 -0.553 1
1 166 . 9 1 1 A 22 22 PHE CA C 22 56.970 56.314 0.656 1
1 167 . 9 1 1 A 22 22 PHE CB C 22 43.313 43.500 -0.187 1
1 173 . 9 1 1 A 22 22 PHE N N 22 121.088 124.520 -3.432 1
1 174 . 9 1 1 A 23 23 SER H H 23 8.908 8.975 -0.067 1
1 175 . 9 1 1 A 23 23 SER HA H 23 4.678 4.731 -0.053 1
1 178 . 9 1 1 A 23 23 SER C C 23 174.535 174.895 -0.360 1
1 179 . 9 1 1 A 23 23 SER CA C 23 60.208 58.720 1.488 1
1 180 . 9 1 1 A 23 23 SER CB C 23 64.284 64.255 0.029 1
1 181 . 9 1 1 A 23 23 SER N N 23 115.507 114.281 1.226 1
1 182 . 9 1 1 A 24 24 ARG H H 24 7.696 7.560 0.136 1
1 183 . 9 1 1 A 24 24 ARG HA H 24 4.727 4.167 0.560 1
1 190 . 9 1 1 A 24 24 ARG C C 24 176.245 175.629 0.616 1
1 191 . 9 1 1 A 24 24 ARG CA C 24 54.240 54.265 -0.025 1
1 192 . 9 1 1 A 24 24 ARG CB C 24 35.386 33.244 2.142 1
1 195 . 9 1 1 A 24 24 ARG N N 24 117.322 120.060 -2.738 1
1 196 . 9 1 1 A 25 25 LYS H H 25 8.456 7.158 1.298 1
1 197 . 9 1 1 A 25 25 LYS HA H 25 3.035 3.458 -0.423 1
1 206 . 9 1 1 A 25 25 LYS C C 25 177.886 177.616 0.270 1
1 207 . 9 1 1 A 25 25 LYS CA C 25 59.309 59.856 -0.547 1
1 208 . 9 1 1 A 25 25 LYS CB C 25 31.983 31.846 0.137 1
1 212 . 9 1 1 A 25 25 LYS N N 25 125.034 125.037 -0.003 1
1 213 . 9 1 1 A 26 26 ASP H H 26 8.540 8.102 0.438 1
1 214 . 9 1 1 A 26 26 ASP HA H 26 4.142 4.204 -0.062 1
1 217 . 9 1 1 A 26 26 ASP C C 26 178.695 179.036 -0.341 1
1 218 . 9 1 1 A 26 26 ASP CA C 26 56.780 57.353 -0.573 1
1 219 . 9 1 1 A 26 26 ASP CB C 26 39.330 40.056 -0.726 1
1 220 . 9 1 1 A 26 26 ASP N N 26 114.989 119.286 -4.297 1
1 221 . 9 1 1 A 27 27 GLN H H 27 6.981 8.081 -1.100 1
1 222 . 9 1 1 A 27 27 GLN HA H 27 3.987 3.946 0.041 1
1 229 . 9 1 1 A 27 27 GLN C C 27 178.473 177.599 0.874 1
1 230 . 9 1 1 A 27 27 GLN CA C 27 57.612 57.709 -0.097 1
1 231 . 9 1 1 A 27 27 GLN CB C 27 28.915 28.523 0.392 1
1 233 . 9 1 1 A 27 27 GLN N N 27 119.394 117.946 1.448 1
1 235 . 9 1 1 A 28 28 LEU H H 28 6.969 7.756 -0.787 1
1 236 . 9 1 1 A 28 28 LEU HA H 28 3.249 3.080 0.169 1
1 246 . 9 1 1 A 28 28 LEU C C 28 177.627 178.433 -0.806 1
1 247 . 9 1 1 A 28 28 LEU CA C 28 57.956 56.742 1.214 1
1 248 . 9 1 1 A 28 28 LEU CB C 28 40.568 42.229 -1.661 1
1 252 . 9 1 1 A 28 28 LEU N N 28 121.993 120.850 1.143 1
1 253 . 9 1 1 A 29 29 VAL H H 29 8.261 8.071 0.190 1
1 254 . 9 1 1 A 29 29 VAL HA H 29 3.704 3.441 0.263 1
1 262 . 9 1 1 A 29 29 VAL C C 29 179.259 178.444 0.815 1
1 263 . 9 1 1 A 29 29 VAL CA C 29 66.532 66.829 -0.297 1
1 264 . 9 1 1 A 29 29 VAL CB C 29 31.765 31.489 0.276 1
1 267 . 9 1 1 A 29 29 VAL N N 29 119.585 119.446 0.139 1
1 268 . 9 1 1 A 30 30 SER H H 30 7.721 7.684 0.037 1
1 269 . 9 1 1 A 30 30 SER HA H 30 4.104 4.228 -0.124 1
1 272 . 9 1 1 A 30 30 SER C C 30 177.207 176.037 1.170 1
1 273 . 9 1 1 A 30 30 SER CA C 30 61.647 61.121 0.526 1
1 274 . 9 1 1 A 30 30 SER CB C 30 62.575 63.237 -0.662 1
1 275 . 9 1 1 A 30 30 SER N N 30 113.762 115.604 -1.842 1
1 276 . 9 1 1 A 31 31 HIS H H 31 7.676 7.559 0.117 1
1 277 . 9 1 1 A 31 31 HIS HA H 31 4.271 4.179 0.092 1
1 282 . 9 1 1 A 31 31 HIS C C 31 177.982 177.234 0.748 1
1 283 . 9 1 1 A 31 31 HIS CA C 31 59.051 59.204 -0.153 1
1 284 . 9 1 1 A 31 31 HIS CB C 31 28.436 30.074 -1.638 1
1 287 . 9 1 1 A 31 31 HIS N N 31 120.492 121.342 -0.850 1
1 288 . 9 1 1 A 32 32 GLN H H 32 8.881 8.555 0.326 1
1 289 . 9 1 1 A 32 32 GLN HA H 32 3.718 3.796 -0.078 1
1 296 . 9 1 1 A 32 32 GLN C C 32 177.983 178.603 -0.620 1
1 297 . 9 1 1 A 32 32 GLN CA C 32 59.912 58.568 1.344 1
1 298 . 9 1 1 A 32 32 GLN CB C 32 28.124 28.507 -0.383 1
1 300 . 9 1 1 A 32 32 GLN N N 32 120.621 118.911 1.710 1
1 302 . 9 1 1 A 33 33 LYS H H 33 7.245 7.401 -0.156 1
1 303 . 9 1 1 A 33 33 LYS HA H 33 4.151 3.998 0.153 1
1 312 . 9 1 1 A 33 33 LYS C C 33 178.380 179.174 -0.794 1
1 313 . 9 1 1 A 33 33 LYS CA C 33 58.671 58.924 -0.253 1
1 314 . 9 1 1 A 33 33 LYS CB C 33 32.152 31.861 0.291 1
1 318 . 9 1 1 A 33 33 LYS N N 33 117.710 119.908 -2.198 1
1 319 . 9 1 1 A 34 34 THR H H 34 7.753 7.902 -0.149 1
1 320 . 9 1 1 A 34 34 THR HA H 34 4.151 3.915 0.236 1
1 325 . 9 1 1 A 34 34 THR C C 34 175.449 175.745 -0.296 1
1 326 . 9 1 1 A 34 34 THR CA C 34 63.751 64.490 -0.739 1
1 327 . 9 1 1 A 34 34 THR CB C 34 69.354 68.686 0.668 1
1 329 . 9 1 1 A 34 34 THR N N 34 109.516 115.128 -5.612 1
1 330 . 9 1 1 A 35 35 HIS H H 35 7.153 7.414 -0.261 1
1 331 . 9 1 1 A 35 35 HIS HA H 35 4.874 4.679 0.195 1
1 336 . 9 1 1 A 35 35 HIS C C 35 175.240 174.299 0.941 1
1 337 . 9 1 1 A 35 35 HIS CA C 35 55.228 55.357 -0.129 1
1 338 . 9 1 1 A 35 35 HIS CB C 35 28.899 29.165 -0.266 1
1 341 . 9 1 1 A 35 35 HIS N N 35 118.672 117.494 1.178 1
1 342 . 9 1 1 A 36 36 SER H H 36 7.936 7.914 0.022 1
1 345 . 9 1 1 A 36 36 SER C C 36 175.155 174.214 0.941 1
1 346 . 9 1 1 A 36 36 SER CA C 36 58.865 56.347 2.518 1
1 347 . 9 1 1 A 36 36 SER CB C 36 63.926 66.463 -2.537 1
1 348 . 9 1 1 A 36 36 SER N N 36 115.177 116.021 -0.844 1
1 349 . 9 1 1 A 37 37 GLY HA2 H 37 4.000 3.985 0.015 1
1 350 . 9 1 1 A 37 37 GLY HA3 H 37 3.924 3.986 -0.062 1
1 351 . 9 1 1 A 37 37 GLY C C 37 174.151 174.786 -0.635 1
1 352 . 9 1 1 A 37 37 GLY CA C 37 45.327 45.810 -0.483 1
1 353 . 9 1 1 A 38 38 GLN H H 38 8.214 8.418 -0.204 1
1 354 . 9 1 1 A 38 38 GLN HA H 38 4.419 4.450 -0.031 1
1 360 . 9 1 1 A 38 38 GLN C C 38 176.047 175.082 0.965 1
1 361 . 9 1 1 A 38 38 GLN CA C 38 55.808 55.393 0.415 1
1 362 . 9 1 1 A 38 38 GLN CB C 38 29.587 28.766 0.821 1
1 364 . 9 1 1 A 38 38 GLN N N 38 119.770 123.827 -4.057 1
1 366 . 9 1 1 A 39 39 SER H H 39 8.420 7.556 0.864 1
1 367 . 9 1 1 A 39 39 SER HA H 39 4.510 4.734 -0.224 1
1 370 . 9 1 1 A 39 39 SER C C 39 174.504 173.721 0.783 1
1 371 . 9 1 1 A 39 39 SER CA C 39 58.371 57.935 0.436 1
1 372 . 9 1 1 A 39 39 SER CB C 39 64.007 61.793 2.214 1
1 373 . 9 1 1 A 39 39 SER N N 39 117.120 117.943 -0.823 1
1 374 . 9 1 1 A 40 40 GLY H H 40 8.269 7.998 0.271 1
1 375 . 9 1 1 A 40 40 GLY HA2 H 40 4.108 4.250 -0.142 1
1 376 . 9 1 1 A 40 40 GLY HA3 H 40 4.182 4.251 -0.069 1
1 377 . 9 1 1 A 40 40 GLY C C 40 171.768 171.150 0.618 1
1 378 . 9 1 1 A 40 40 GLY CA C 40 44.645 45.282 -0.637 1
1 379 . 9 1 1 A 40 40 GLY N N 40 110.759 111.821 -1.062 1
1 380 . 9 1 1 A 41 41 PRO HA H 41 4.490 4.356 0.134 1
1 387 . 9 1 1 A 41 41 PRO C C 41 177.377 177.204 0.173 1
1 388 . 9 1 1 A 41 41 PRO CA C 41 63.244 62.740 0.504 1
1 389 . 9 1 1 A 41 41 PRO CB C 41 32.185 32.588 -0.403 1
1 392 . 9 1 1 A 42 42 SER H H 42 8.514 8.920 -0.406 1
1 393 . 9 1 1 A 42 42 SER C C 42 174.655 174.024 0.631 1
1 394 . 9 1 1 A 42 42 SER CA C 42 58.447 59.212 -0.765 1
1 395 . 9 1 1 A 42 42 SER CB C 42 64.027 61.586 2.441 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 4.008 4.220 -0.212 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.008 4.221 -0.213 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.487 172.903 1.584 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.536 44.191 1.345 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.161 8.361 -0.200 1
1 6 . 10 1 1 A 8 8 THR HA H 8 4.393 4.947 -0.554 1
1 11 . 10 1 1 A 8 8 THR C C 8 175.248 174.296 0.952 1
1 12 . 10 1 1 A 8 8 THR CA C 8 61.821 60.344 1.477 1
1 13 . 10 1 1 A 8 8 THR CB C 8 69.873 70.046 -0.173 1
1 15 . 10 1 1 A 8 8 THR N N 8 112.733 112.617 0.116 1
1 16 . 10 1 1 A 9 9 GLY H H 9 8.469 8.603 -0.134 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 4.008 3.888 0.120 1
1 18 . 10 1 1 A 9 9 GLY HA3 H 9 4.008 3.890 0.118 1
1 19 . 10 1 1 A 9 9 GLY C C 9 174.052 174.118 -0.066 1
1 20 . 10 1 1 A 9 9 GLY CA C 9 45.528 46.872 -1.344 1
1 21 . 10 1 1 A 9 9 GLY N N 9 111.035 113.088 -2.053 1
1 22 . 10 1 1 A 10 10 GLU H H 10 8.214 8.388 -0.174 1
1 23 . 10 1 1 A 10 10 GLU HA H 10 4.246 4.751 -0.505 1
1 28 . 10 1 1 A 10 10 GLU C C 10 175.942 175.230 0.712 1
1 29 . 10 1 1 A 10 10 GLU CA C 10 56.603 55.418 1.185 1
1 30 . 10 1 1 A 10 10 GLU CB C 10 30.592 30.511 0.081 1
1 32 . 10 1 1 A 10 10 GLU N N 10 119.967 123.688 -3.721 1
1 33 . 10 1 1 A 11 11 ASN H H 11 8.407 8.554 -0.147 1
1 34 . 10 1 1 A 11 11 ASN HA H 11 4.947 5.184 -0.237 1
1 39 . 10 1 1 A 11 11 ASN C C 11 172.759 175.166 -2.407 1
1 40 . 10 1 1 A 11 11 ASN CA C 11 51.229 49.422 1.807 1
1 41 . 10 1 1 A 11 11 ASN CB C 11 39.486 40.424 -0.938 1
1 42 . 10 1 1 A 11 11 ASN N N 11 119.687 124.579 -4.892 1
1 44 . 10 1 1 A 12 12 PRO HA H 12 4.295 4.357 -0.062 1
1 51 . 10 1 1 A 12 12 PRO C C 12 176.280 175.701 0.579 1
1 52 . 10 1 1 A 12 12 PRO CA C 12 63.512 63.902 -0.390 1
1 53 . 10 1 1 A 12 12 PRO CB C 12 32.183 31.273 0.910 1
1 56 . 10 1 1 A 13 13 TYR H H 13 8.160 7.355 0.805 1
1 57 . 10 1 1 A 13 13 TYR HA H 13 4.694 5.149 -0.455 1
1 64 . 10 1 1 A 13 13 TYR C C 13 173.960 174.276 -0.316 1
1 65 . 10 1 1 A 13 13 TYR CA C 13 56.912 56.560 0.352 1
1 66 . 10 1 1 A 13 13 TYR CB C 13 38.357 39.652 -1.295 1
1 71 . 10 1 1 A 13 13 TYR N N 13 118.775 118.849 -0.074 1
1 72 . 10 1 1 A 14 14 GLU H H 14 8.335 9.009 -0.674 1
1 73 . 10 1 1 A 14 14 GLU HA H 14 5.017 5.374 -0.357 1
1 78 . 10 1 1 A 14 14 GLU C C 14 175.182 175.572 -0.390 1
1 79 . 10 1 1 A 14 14 GLU CA C 14 54.455 54.991 -0.536 1
1 80 . 10 1 1 A 14 14 GLU CB C 14 33.214 33.545 -0.331 1
1 82 . 10 1 1 A 14 14 GLU N N 14 123.792 126.066 -2.274 1
1 83 . 10 1 1 A 15 15 CYS H H 15 9.398 9.634 -0.236 1
1 84 . 10 1 1 A 15 15 CYS HA H 15 4.648 4.590 0.058 1
1 87 . 10 1 1 A 15 15 CYS C C 15 177.220 175.099 2.121 1
1 88 . 10 1 1 A 15 15 CYS CA C 15 59.337 59.933 -0.596 1
1 89 . 10 1 1 A 15 15 CYS CB C 15 29.644 28.646 0.998 1
1 90 . 10 1 1 A 15 15 CYS N N 15 127.444 125.569 1.875 1
1 91 . 10 1 1 A 16 16 CYS H H 16 9.319 8.849 0.470 1
1 92 . 10 1 1 A 16 16 CYS HA H 16 4.475 4.435 0.040 1
1 95 . 10 1 1 A 16 16 CYS C C 16 174.596 176.274 -1.678 1
1 96 . 10 1 1 A 16 16 CYS CA C 16 60.515 59.753 0.762 1
1 97 . 10 1 1 A 16 16 CYS CB C 16 27.201 28.131 -0.930 1
1 98 . 10 1 1 A 16 16 CYS N N 16 130.435 125.896 4.539 1
1 99 . 10 1 1 A 17 17 GLU H H 17 8.688 8.183 0.505 1
1 100 . 10 1 1 A 17 17 GLU HA H 17 4.287 3.875 0.412 1
1 105 . 10 1 1 A 17 17 GLU C C 17 177.134 177.984 -0.850 1
1 106 . 10 1 1 A 17 17 GLU CA C 17 58.287 58.945 -0.658 1
1 107 . 10 1 1 A 17 17 GLU CB C 17 29.747 28.373 1.374 1
1 109 . 10 1 1 A 17 17 GLU N N 17 122.479 120.082 2.397 1
1 110 . 10 1 1 A 18 18 CYS H H 18 7.912 7.898 0.014 1
1 111 . 10 1 1 A 18 18 CYS HA H 18 5.182 4.604 0.578 1
1 114 . 10 1 1 A 18 18 CYS C C 18 176.224 175.227 0.997 1
1 115 . 10 1 1 A 18 18 CYS CA C 18 58.452 59.645 -1.193 1
1 116 . 10 1 1 A 18 18 CYS CB C 18 32.577 29.713 2.864 1
1 117 . 10 1 1 A 18 18 CYS N N 18 114.583 114.881 -0.298 1
1 118 . 10 1 1 A 19 19 GLY H H 19 8.302 8.039 0.263 1
1 119 . 10 1 1 A 19 19 GLY HA2 H 19 3.918 4.088 -0.170 1
1 120 . 10 1 1 A 19 19 GLY HA3 H 19 4.235 4.103 0.132 1
1 121 . 10 1 1 A 19 19 GLY C C 19 173.879 174.281 -0.402 1
1 122 . 10 1 1 A 19 19 GLY CA C 19 46.133 45.230 0.903 1
1 123 . 10 1 1 A 19 19 GLY N N 19 113.493 110.133 3.360 1
1 124 . 10 1 1 A 20 20 LYS H H 20 7.918 7.955 -0.037 1
1 125 . 10 1 1 A 20 20 LYS HA H 20 4.006 4.678 -0.672 1
1 134 . 10 1 1 A 20 20 LYS C C 20 174.253 175.310 -1.057 1
1 135 . 10 1 1 A 20 20 LYS CA C 20 58.177 55.094 3.083 1
1 136 . 10 1 1 A 20 20 LYS CB C 20 33.916 34.160 -0.244 1
1 140 . 10 1 1 A 20 20 LYS N N 20 122.419 121.506 0.913 1
1 141 . 10 1 1 A 21 21 VAL H H 21 7.565 8.214 -0.649 1
1 142 . 10 1 1 A 21 21 VAL HA H 21 4.798 5.096 -0.298 1
1 150 . 10 1 1 A 21 21 VAL C C 21 175.151 174.335 0.816 1
1 151 . 10 1 1 A 21 21 VAL CA C 21 60.194 60.439 -0.245 1
1 152 . 10 1 1 A 21 21 VAL CB C 21 34.074 35.205 -1.131 1
1 155 . 10 1 1 A 21 21 VAL N N 21 116.838 123.949 -7.111 1
1 156 . 10 1 1 A 22 22 PHE H H 22 8.603 8.881 -0.278 1
1 157 . 10 1 1 A 22 22 PHE HA H 22 4.787 5.001 -0.214 1
1 165 . 10 1 1 A 22 22 PHE C C 22 175.198 175.722 -0.524 1
1 166 . 10 1 1 A 22 22 PHE CA C 22 56.970 56.459 0.511 1
1 167 . 10 1 1 A 22 22 PHE CB C 22 43.313 43.848 -0.535 1
1 173 . 10 1 1 A 22 22 PHE N N 22 121.088 123.133 -2.045 1
1 174 . 10 1 1 A 23 23 SER H H 23 8.908 9.053 -0.145 1
1 175 . 10 1 1 A 23 23 SER HA H 23 4.678 4.697 -0.019 1
1 178 . 10 1 1 A 23 23 SER C C 23 174.535 174.704 -0.169 1
1 179 . 10 1 1 A 23 23 SER CA C 23 60.208 60.266 -0.058 1
1 180 . 10 1 1 A 23 23 SER CB C 23 64.284 64.401 -0.117 1
1 181 . 10 1 1 A 23 23 SER N N 23 115.507 116.027 -0.520 1
1 182 . 10 1 1 A 24 24 ARG H H 24 7.696 8.010 -0.314 1
1 183 . 10 1 1 A 24 24 ARG HA H 24 4.727 4.706 0.021 1
1 190 . 10 1 1 A 24 24 ARG C C 24 176.245 175.875 0.370 1
1 191 . 10 1 1 A 24 24 ARG CA C 24 54.240 54.358 -0.118 1
1 192 . 10 1 1 A 24 24 ARG CB C 24 35.386 32.377 3.009 1
1 195 . 10 1 1 A 24 24 ARG N N 24 117.322 119.539 -2.217 1
1 196 . 10 1 1 A 25 25 LYS H H 25 8.456 7.435 1.021 1
1 197 . 10 1 1 A 25 25 LYS HA H 25 3.035 3.173 -0.138 1
1 206 . 10 1 1 A 25 25 LYS C C 25 177.886 177.623 0.263 1
1 207 . 10 1 1 A 25 25 LYS CA C 25 59.309 59.722 -0.413 1
1 208 . 10 1 1 A 25 25 LYS CB C 25 31.983 31.667 0.316 1
1 212 . 10 1 1 A 25 25 LYS N N 25 125.034 125.200 -0.166 1
1 213 . 10 1 1 A 26 26 ASP H H 26 8.540 8.010 0.530 1
1 214 . 10 1 1 A 26 26 ASP HA H 26 4.142 4.182 -0.040 1
1 217 . 10 1 1 A 26 26 ASP C C 26 178.695 178.556 0.139 1
1 218 . 10 1 1 A 26 26 ASP CA C 26 56.780 57.352 -0.572 1
1 219 . 10 1 1 A 26 26 ASP CB C 26 39.330 41.095 -1.765 1
1 220 . 10 1 1 A 26 26 ASP N N 26 114.989 119.319 -4.330 1
1 221 . 10 1 1 A 27 27 GLN H H 27 6.981 8.237 -1.256 1
1 222 . 10 1 1 A 27 27 GLN HA H 27 3.987 4.033 -0.046 1
1 229 . 10 1 1 A 27 27 GLN C C 27 178.473 178.125 0.348 1
1 230 . 10 1 1 A 27 27 GLN CA C 27 57.612 58.627 -1.015 1
1 231 . 10 1 1 A 27 27 GLN CB C 27 28.915 28.497 0.418 1
1 233 . 10 1 1 A 27 27 GLN N N 27 119.394 117.199 2.195 1
1 235 . 10 1 1 A 28 28 LEU H H 28 6.969 7.744 -0.775 1
1 236 . 10 1 1 A 28 28 LEU HA H 28 3.249 2.763 0.486 1
1 246 . 10 1 1 A 28 28 LEU C C 28 177.627 178.350 -0.723 1
1 247 . 10 1 1 A 28 28 LEU CA C 28 57.956 57.287 0.669 1
1 248 . 10 1 1 A 28 28 LEU CB C 28 40.568 41.367 -0.799 1
1 252 . 10 1 1 A 28 28 LEU N N 28 121.993 121.783 0.210 1
1 253 . 10 1 1 A 29 29 VAL H H 29 8.261 8.010 0.251 1
1 254 . 10 1 1 A 29 29 VAL HA H 29 3.704 3.396 0.308 1
1 262 . 10 1 1 A 29 29 VAL C C 29 179.259 177.885 1.374 1
1 263 . 10 1 1 A 29 29 VAL CA C 29 66.532 66.962 -0.430 1
1 264 . 10 1 1 A 29 29 VAL CB C 29 31.765 31.459 0.306 1
1 267 . 10 1 1 A 29 29 VAL N N 29 119.585 119.781 -0.196 1
1 268 . 10 1 1 A 30 30 SER H H 30 7.721 7.745 -0.024 1
1 269 . 10 1 1 A 30 30 SER HA H 30 4.104 4.027 0.077 1
1 272 . 10 1 1 A 30 30 SER C C 30 177.207 176.871 0.336 1
1 273 . 10 1 1 A 30 30 SER CA C 30 61.647 61.278 0.369 1
1 274 . 10 1 1 A 30 30 SER CB C 30 62.575 63.121 -0.546 1
1 275 . 10 1 1 A 30 30 SER N N 30 113.762 114.387 -0.625 1
1 276 . 10 1 1 A 31 31 HIS H H 31 7.676 7.347 0.329 1
1 277 . 10 1 1 A 31 31 HIS HA H 31 4.271 4.214 0.057 1
1 282 . 10 1 1 A 31 31 HIS C C 31 177.982 176.584 1.398 1
1 283 . 10 1 1 A 31 31 HIS CA C 31 59.051 59.595 -0.544 1
1 284 . 10 1 1 A 31 31 HIS CB C 31 28.436 29.817 -1.381 1
1 287 . 10 1 1 A 31 31 HIS N N 31 120.492 120.811 -0.319 1
1 288 . 10 1 1 A 32 32 GLN H H 32 8.881 8.542 0.339 1
1 289 . 10 1 1 A 32 32 GLN HA H 32 3.718 3.733 -0.015 1
1 296 . 10 1 1 A 32 32 GLN C C 32 177.983 178.318 -0.335 1
1 297 . 10 1 1 A 32 32 GLN CA C 32 59.912 58.928 0.984 1
1 298 . 10 1 1 A 32 32 GLN CB C 32 28.124 28.196 -0.072 1
1 300 . 10 1 1 A 32 32 GLN N N 32 120.621 116.788 3.833 1
1 302 . 10 1 1 A 33 33 LYS H H 33 7.245 7.682 -0.437 1
1 303 . 10 1 1 A 33 33 LYS HA H 33 4.151 3.927 0.224 1
1 312 . 10 1 1 A 33 33 LYS C C 33 178.380 178.627 -0.247 1
1 313 . 10 1 1 A 33 33 LYS CA C 33 58.671 59.046 -0.375 1
1 314 . 10 1 1 A 33 33 LYS CB C 33 32.152 32.203 -0.051 1
1 318 . 10 1 1 A 33 33 LYS N N 33 117.710 120.188 -2.478 1
1 319 . 10 1 1 A 34 34 THR H H 34 7.753 8.248 -0.495 1
1 320 . 10 1 1 A 34 34 THR HA H 34 4.151 3.803 0.348 1
1 325 . 10 1 1 A 34 34 THR C C 34 175.449 175.878 -0.429 1
1 326 . 10 1 1 A 34 34 THR CA C 34 63.751 64.299 -0.548 1
1 327 . 10 1 1 A 34 34 THR CB C 34 69.354 68.690 0.664 1
1 329 . 10 1 1 A 34 34 THR N N 34 109.516 114.748 -5.232 1
1 330 . 10 1 1 A 35 35 HIS H H 35 7.153 7.731 -0.578 1
1 331 . 10 1 1 A 35 35 HIS HA H 35 4.874 4.750 0.124 1
1 336 . 10 1 1 A 35 35 HIS C C 35 175.240 174.112 1.128 1
1 337 . 10 1 1 A 35 35 HIS CA C 35 55.228 54.877 0.351 1
1 338 . 10 1 1 A 35 35 HIS CB C 35 28.899 28.505 0.394 1
1 341 . 10 1 1 A 35 35 HIS N N 35 118.672 117.349 1.323 1
1 342 . 10 1 1 A 36 36 SER H H 36 7.936 7.457 0.479 1
1 345 . 10 1 1 A 36 36 SER C C 36 175.155 173.320 1.835 1
1 346 . 10 1 1 A 36 36 SER CA C 36 58.865 56.124 2.741 1
1 347 . 10 1 1 A 36 36 SER CB C 36 63.926 64.912 -0.986 1
1 348 . 10 1 1 A 36 36 SER N N 36 115.177 115.979 -0.802 1
1 349 . 10 1 1 A 37 37 GLY HA2 H 37 4.000 4.367 -0.367 1
1 350 . 10 1 1 A 37 37 GLY HA3 H 37 3.924 4.373 -0.449 1
1 351 . 10 1 1 A 37 37 GLY C C 37 174.151 171.857 2.294 1
1 352 . 10 1 1 A 37 37 GLY CA C 37 45.327 45.881 -0.554 1
1 353 . 10 1 1 A 38 38 GLN H H 38 8.214 8.533 -0.319 1
1 354 . 10 1 1 A 38 38 GLN HA H 38 4.419 5.144 -0.725 1
1 360 . 10 1 1 A 38 38 GLN C C 38 176.047 174.411 1.636 1
1 361 . 10 1 1 A 38 38 GLN CA C 38 55.808 54.385 1.423 1
1 362 . 10 1 1 A 38 38 GLN CB C 38 29.587 32.292 -2.705 1
1 364 . 10 1 1 A 38 38 GLN N N 38 119.770 121.237 -1.467 1
1 366 . 10 1 1 A 39 39 SER H H 39 8.420 8.591 -0.171 1
1 367 . 10 1 1 A 39 39 SER HA H 39 4.510 5.324 -0.814 1
1 370 . 10 1 1 A 39 39 SER C C 39 174.504 173.927 0.577 1
1 371 . 10 1 1 A 39 39 SER CA C 39 58.371 57.245 1.126 1
1 372 . 10 1 1 A 39 39 SER CB C 39 64.007 66.157 -2.150 1
1 373 . 10 1 1 A 39 39 SER N N 39 117.120 122.315 -5.195 1
1 374 . 10 1 1 A 40 40 GLY H H 40 8.269 8.677 -0.408 1
1 375 . 10 1 1 A 40 40 GLY HA2 H 40 4.108 4.145 -0.037 1
1 376 . 10 1 1 A 40 40 GLY HA3 H 40 4.182 4.146 0.036 1
1 377 . 10 1 1 A 40 40 GLY C C 40 171.768 174.636 -2.868 1
1 378 . 10 1 1 A 40 40 GLY CA C 40 44.645 43.492 1.153 1
1 379 . 10 1 1 A 40 40 GLY N N 40 110.759 108.983 1.776 1
1 380 . 10 1 1 A 41 41 PRO HA H 41 4.490 4.535 -0.045 1
1 387 . 10 1 1 A 41 41 PRO C C 41 177.377 176.288 1.089 1
1 388 . 10 1 1 A 41 41 PRO CA C 41 63.244 64.100 -0.856 1
1 389 . 10 1 1 A 41 41 PRO CB C 41 32.185 31.529 0.656 1
1 392 . 10 1 1 A 42 42 SER H H 42 8.514 8.014 0.500 1
1 393 . 10 1 1 A 42 42 SER C C 42 174.655 175.862 -1.207 1
1 394 . 10 1 1 A 42 42 SER CA C 42 58.447 59.412 -0.965 1
1 395 . 10 1 1 A 42 42 SER CB C 42 64.027 63.889 0.138 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 4.008 4.290 -0.282 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.008 4.290 -0.282 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.487 171.957 2.530 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.536 45.706 -0.170 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.161 8.649 -0.488 1
1 6 . 11 1 1 A 8 8 THR HA H 8 4.393 4.933 -0.540 1
1 11 . 11 1 1 A 8 8 THR C C 8 175.248 173.835 1.413 1
1 12 . 11 1 1 A 8 8 THR CA C 8 61.821 59.789 2.032 1
1 13 . 11 1 1 A 8 8 THR CB C 8 69.873 71.062 -1.189 1
1 15 . 11 1 1 A 8 8 THR N N 8 112.733 116.030 -3.297 1
1 16 . 11 1 1 A 9 9 GLY H H 9 8.469 8.613 -0.144 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 4.008 3.909 0.099 1
1 18 . 11 1 1 A 9 9 GLY HA3 H 9 4.008 3.911 0.097 1
1 19 . 11 1 1 A 9 9 GLY C C 9 174.052 174.843 -0.791 1
1 20 . 11 1 1 A 9 9 GLY CA C 9 45.528 46.225 -0.697 1
1 21 . 11 1 1 A 9 9 GLY N N 9 111.035 115.096 -4.061 1
1 22 . 11 1 1 A 10 10 GLU H H 10 8.214 7.965 0.249 1
1 23 . 11 1 1 A 10 10 GLU HA H 10 4.246 4.332 -0.086 1
1 28 . 11 1 1 A 10 10 GLU C C 10 175.942 176.172 -0.230 1
1 29 . 11 1 1 A 10 10 GLU CA C 10 56.603 56.771 -0.168 1
1 30 . 11 1 1 A 10 10 GLU CB C 10 30.592 29.974 0.618 1
1 32 . 11 1 1 A 10 10 GLU N N 10 119.967 119.375 0.592 1
1 33 . 11 1 1 A 11 11 ASN H H 11 8.407 8.757 -0.350 1
1 34 . 11 1 1 A 11 11 ASN HA H 11 4.947 4.783 0.164 1
1 39 . 11 1 1 A 11 11 ASN C C 11 172.759 175.323 -2.564 1
1 40 . 11 1 1 A 11 11 ASN CA C 11 51.229 51.844 -0.615 1
1 41 . 11 1 1 A 11 11 ASN CB C 11 39.486 38.083 1.403 1
1 42 . 11 1 1 A 11 11 ASN N N 11 119.687 121.419 -1.732 1
1 44 . 11 1 1 A 12 12 PRO HA H 12 4.295 4.241 0.054 1
1 51 . 11 1 1 A 12 12 PRO C C 12 176.280 175.838 0.442 1
1 52 . 11 1 1 A 12 12 PRO CA C 12 63.512 64.533 -1.021 1
1 53 . 11 1 1 A 12 12 PRO CB C 12 32.183 31.728 0.455 1
1 56 . 11 1 1 A 13 13 TYR H H 13 8.160 7.529 0.631 1
1 57 . 11 1 1 A 13 13 TYR HA H 13 4.694 5.302 -0.608 1
1 64 . 11 1 1 A 13 13 TYR C C 13 173.960 174.227 -0.267 1
1 65 . 11 1 1 A 13 13 TYR CA C 13 56.912 56.722 0.190 1
1 66 . 11 1 1 A 13 13 TYR CB C 13 38.357 40.861 -2.504 1
1 71 . 11 1 1 A 13 13 TYR N N 13 118.775 117.619 1.156 1
1 72 . 11 1 1 A 14 14 GLU H H 14 8.335 9.092 -0.757 1
1 73 . 11 1 1 A 14 14 GLU HA H 14 5.017 5.163 -0.146 1
1 78 . 11 1 1 A 14 14 GLU C C 14 175.182 175.533 -0.351 1
1 79 . 11 1 1 A 14 14 GLU CA C 14 54.455 54.862 -0.407 1
1 80 . 11 1 1 A 14 14 GLU CB C 14 33.214 33.557 -0.343 1
1 82 . 11 1 1 A 14 14 GLU N N 14 123.792 125.012 -1.220 1
1 83 . 11 1 1 A 15 15 CYS H H 15 9.398 9.551 -0.153 1
1 84 . 11 1 1 A 15 15 CYS HA H 15 4.648 4.546 0.102 1
1 87 . 11 1 1 A 15 15 CYS C C 15 177.220 176.370 0.850 1
1 88 . 11 1 1 A 15 15 CYS CA C 15 59.337 59.766 -0.429 1
1 89 . 11 1 1 A 15 15 CYS CB C 15 29.644 28.387 1.257 1
1 90 . 11 1 1 A 15 15 CYS N N 15 127.444 125.774 1.670 1
1 91 . 11 1 1 A 16 16 CYS H H 16 9.319 8.542 0.777 1
1 92 . 11 1 1 A 16 16 CYS HA H 16 4.475 4.425 0.050 1
1 95 . 11 1 1 A 16 16 CYS C C 16 174.596 176.774 -2.178 1
1 96 . 11 1 1 A 16 16 CYS CA C 16 60.515 59.925 0.590 1
1 97 . 11 1 1 A 16 16 CYS CB C 16 27.201 28.382 -1.181 1
1 98 . 11 1 1 A 16 16 CYS N N 16 130.435 126.618 3.817 1
1 99 . 11 1 1 A 17 17 GLU H H 17 8.688 8.263 0.425 1
1 100 . 11 1 1 A 17 17 GLU HA H 17 4.287 3.983 0.304 1
1 105 . 11 1 1 A 17 17 GLU C C 17 177.134 178.040 -0.906 1
1 106 . 11 1 1 A 17 17 GLU CA C 17 58.287 59.163 -0.876 1
1 107 . 11 1 1 A 17 17 GLU CB C 17 29.747 28.986 0.761 1
1 109 . 11 1 1 A 17 17 GLU N N 17 122.479 121.345 1.134 1
1 110 . 11 1 1 A 18 18 CYS H H 18 7.912 7.316 0.596 1
1 111 . 11 1 1 A 18 18 CYS HA H 18 5.182 4.750 0.432 1
1 114 . 11 1 1 A 18 18 CYS C C 18 176.224 175.554 0.670 1
1 115 . 11 1 1 A 18 18 CYS CA C 18 58.452 59.584 -1.132 1
1 116 . 11 1 1 A 18 18 CYS CB C 18 32.577 30.034 2.543 1
1 117 . 11 1 1 A 18 18 CYS N N 18 114.583 114.648 -0.065 1
1 118 . 11 1 1 A 19 19 GLY H H 19 8.302 8.387 -0.085 1
1 119 . 11 1 1 A 19 19 GLY HA2 H 19 3.918 4.044 -0.126 1
1 120 . 11 1 1 A 19 19 GLY HA3 H 19 4.235 4.051 0.184 1
1 121 . 11 1 1 A 19 19 GLY C C 19 173.879 174.151 -0.272 1
1 122 . 11 1 1 A 19 19 GLY CA C 19 46.133 46.235 -0.102 1
1 123 . 11 1 1 A 19 19 GLY N N 19 113.493 109.549 3.944 1
1 124 . 11 1 1 A 20 20 LYS H H 20 7.918 7.794 0.124 1
1 125 . 11 1 1 A 20 20 LYS HA H 20 4.006 4.760 -0.754 1
1 134 . 11 1 1 A 20 20 LYS C C 20 174.253 174.826 -0.573 1
1 135 . 11 1 1 A 20 20 LYS CA C 20 58.177 54.240 3.937 1
1 136 . 11 1 1 A 20 20 LYS CB C 20 33.916 35.751 -1.835 1
1 140 . 11 1 1 A 20 20 LYS N N 20 122.419 119.488 2.931 1
1 141 . 11 1 1 A 21 21 VAL H H 21 7.565 8.638 -1.073 1
1 142 . 11 1 1 A 21 21 VAL HA H 21 4.798 4.906 -0.108 1
1 150 . 11 1 1 A 21 21 VAL C C 21 175.151 174.614 0.537 1
1 151 . 11 1 1 A 21 21 VAL CA C 21 60.194 61.017 -0.823 1
1 152 . 11 1 1 A 21 21 VAL CB C 21 34.074 33.099 0.975 1
1 155 . 11 1 1 A 21 21 VAL N N 21 116.838 123.722 -6.884 1
1 156 . 11 1 1 A 22 22 PHE H H 22 8.603 8.799 -0.196 1
1 157 . 11 1 1 A 22 22 PHE HA H 22 4.787 4.944 -0.157 1
1 165 . 11 1 1 A 22 22 PHE C C 22 175.198 175.820 -0.622 1
1 166 . 11 1 1 A 22 22 PHE CA C 22 56.970 56.594 0.376 1
1 167 . 11 1 1 A 22 22 PHE CB C 22 43.313 43.508 -0.195 1
1 173 . 11 1 1 A 22 22 PHE N N 22 121.088 123.236 -2.148 1
1 174 . 11 1 1 A 23 23 SER H H 23 8.908 9.048 -0.140 1
1 175 . 11 1 1 A 23 23 SER HA H 23 4.678 4.551 0.127 1
1 178 . 11 1 1 A 23 23 SER C C 23 174.535 174.115 0.420 1
1 179 . 11 1 1 A 23 23 SER CA C 23 60.208 59.709 0.499 1
1 180 . 11 1 1 A 23 23 SER CB C 23 64.284 63.515 0.769 1
1 181 . 11 1 1 A 23 23 SER N N 23 115.507 115.443 0.064 1
1 182 . 11 1 1 A 24 24 ARG H H 24 7.696 7.944 -0.248 1
1 183 . 11 1 1 A 24 24 ARG HA H 24 4.727 4.663 0.064 1
1 190 . 11 1 1 A 24 24 ARG C C 24 176.245 175.979 0.266 1
1 191 . 11 1 1 A 24 24 ARG CA C 24 54.240 54.364 -0.124 1
1 192 . 11 1 1 A 24 24 ARG CB C 24 35.386 32.730 2.656 1
1 195 . 11 1 1 A 24 24 ARG N N 24 117.322 120.139 -2.817 1
1 196 . 11 1 1 A 25 25 LYS H H 25 8.456 8.202 0.254 1
1 197 . 11 1 1 A 25 25 LYS HA H 25 3.035 2.895 0.140 1
1 206 . 11 1 1 A 25 25 LYS C C 25 177.886 177.623 0.263 1
1 207 . 11 1 1 A 25 25 LYS CA C 25 59.309 59.800 -0.491 1
1 208 . 11 1 1 A 25 25 LYS CB C 25 31.983 31.738 0.245 1
1 212 . 11 1 1 A 25 25 LYS N N 25 125.034 125.091 -0.057 1
1 213 . 11 1 1 A 26 26 ASP H H 26 8.540 8.038 0.502 1
1 214 . 11 1 1 A 26 26 ASP HA H 26 4.142 4.209 -0.067 1
1 217 . 11 1 1 A 26 26 ASP C C 26 178.695 178.458 0.237 1
1 218 . 11 1 1 A 26 26 ASP CA C 26 56.780 57.372 -0.592 1
1 219 . 11 1 1 A 26 26 ASP CB C 26 39.330 41.050 -1.720 1
1 220 . 11 1 1 A 26 26 ASP N N 26 114.989 119.257 -4.268 1
1 221 . 11 1 1 A 27 27 GLN H H 27 6.981 8.141 -1.160 1
1 222 . 11 1 1 A 27 27 GLN HA H 27 3.987 4.045 -0.058 1
1 229 . 11 1 1 A 27 27 GLN C C 27 178.473 178.395 0.078 1
1 230 . 11 1 1 A 27 27 GLN CA C 27 57.612 58.894 -1.282 1
1 231 . 11 1 1 A 27 27 GLN CB C 27 28.915 28.339 0.576 1
1 233 . 11 1 1 A 27 27 GLN N N 27 119.394 117.492 1.902 1
1 235 . 11 1 1 A 28 28 LEU H H 28 6.969 7.552 -0.583 1
1 236 . 11 1 1 A 28 28 LEU HA H 28 3.249 2.591 0.658 1
1 246 . 11 1 1 A 28 28 LEU C C 28 177.627 178.406 -0.779 1
1 247 . 11 1 1 A 28 28 LEU CA C 28 57.956 57.459 0.497 1
1 248 . 11 1 1 A 28 28 LEU CB C 28 40.568 41.115 -0.547 1
1 252 . 11 1 1 A 28 28 LEU N N 28 121.993 121.545 0.448 1
1 253 . 11 1 1 A 29 29 VAL H H 29 8.261 7.902 0.359 1
1 254 . 11 1 1 A 29 29 VAL HA H 29 3.704 3.406 0.298 1
1 262 . 11 1 1 A 29 29 VAL C C 29 179.259 178.165 1.094 1
1 263 . 11 1 1 A 29 29 VAL CA C 29 66.532 67.012 -0.480 1
1 264 . 11 1 1 A 29 29 VAL CB C 29 31.765 31.478 0.287 1
1 267 . 11 1 1 A 29 29 VAL N N 29 119.585 119.602 -0.017 1
1 268 . 11 1 1 A 30 30 SER H H 30 7.721 8.099 -0.378 1
1 269 . 11 1 1 A 30 30 SER HA H 30 4.104 4.284 -0.180 1
1 272 . 11 1 1 A 30 30 SER C C 30 177.207 176.926 0.281 1
1 273 . 11 1 1 A 30 30 SER CA C 30 61.647 61.500 0.147 1
1 274 . 11 1 1 A 30 30 SER CB C 30 62.575 62.495 0.080 1
1 275 . 11 1 1 A 30 30 SER N N 30 113.762 113.752 0.010 1
1 276 . 11 1 1 A 31 31 HIS H H 31 7.676 7.460 0.216 1
1 277 . 11 1 1 A 31 31 HIS HA H 31 4.271 4.392 -0.121 1
1 282 . 11 1 1 A 31 31 HIS C C 31 177.982 177.474 0.508 1
1 283 . 11 1 1 A 31 31 HIS CA C 31 59.051 59.366 -0.315 1
1 284 . 11 1 1 A 31 31 HIS CB C 31 28.436 29.959 -1.523 1
1 287 . 11 1 1 A 31 31 HIS N N 31 120.492 121.895 -1.403 1
1 288 . 11 1 1 A 32 32 GLN H H 32 8.881 8.640 0.241 1
1 289 . 11 1 1 A 32 32 GLN HA H 32 3.718 3.940 -0.222 1
1 296 . 11 1 1 A 32 32 GLN C C 32 177.983 178.668 -0.685 1
1 297 . 11 1 1 A 32 32 GLN CA C 32 59.912 59.016 0.896 1
1 298 . 11 1 1 A 32 32 GLN CB C 32 28.124 28.524 -0.400 1
1 300 . 11 1 1 A 32 32 GLN N N 32 120.621 117.930 2.691 1
1 302 . 11 1 1 A 33 33 LYS H H 33 7.245 7.699 -0.454 1
1 303 . 11 1 1 A 33 33 LYS HA H 33 4.151 4.099 0.052 1
1 312 . 11 1 1 A 33 33 LYS C C 33 178.380 177.422 0.958 1
1 313 . 11 1 1 A 33 33 LYS CA C 33 58.671 59.154 -0.483 1
1 314 . 11 1 1 A 33 33 LYS CB C 33 32.152 32.356 -0.204 1
1 318 . 11 1 1 A 33 33 LYS N N 33 117.710 119.320 -1.610 1
1 319 . 11 1 1 A 34 34 THR H H 34 7.753 7.663 0.090 1
1 320 . 11 1 1 A 34 34 THR HA H 34 4.151 4.428 -0.277 1
1 325 . 11 1 1 A 34 34 THR C C 34 175.449 173.332 2.117 1
1 326 . 11 1 1 A 34 34 THR CA C 34 63.751 61.160 2.591 1
1 327 . 11 1 1 A 34 34 THR CB C 34 69.354 68.972 0.382 1
1 329 . 11 1 1 A 34 34 THR N N 34 109.516 112.332 -2.816 1
1 330 . 11 1 1 A 35 35 HIS H H 35 7.153 7.286 -0.133 1
1 331 . 11 1 1 A 35 35 HIS HA H 35 4.874 5.180 -0.306 1
1 336 . 11 1 1 A 35 35 HIS C C 35 175.240 173.103 2.137 1
1 337 . 11 1 1 A 35 35 HIS CA C 35 55.228 54.261 0.967 1
1 338 . 11 1 1 A 35 35 HIS CB C 35 28.899 34.236 -5.337 1
1 341 . 11 1 1 A 35 35 HIS N N 35 118.672 121.710 -3.038 1
1 342 . 11 1 1 A 36 36 SER H H 36 7.936 9.037 -1.101 1
1 345 . 11 1 1 A 36 36 SER C C 36 175.155 174.006 1.149 1
1 346 . 11 1 1 A 36 36 SER CA C 36 58.865 56.880 1.985 1
1 347 . 11 1 1 A 36 36 SER CB C 36 63.926 64.577 -0.651 1
1 348 . 11 1 1 A 36 36 SER N N 36 115.177 116.489 -1.312 1
1 349 . 11 1 1 A 37 37 GLY HA2 H 37 4.000 4.092 -0.092 1
1 350 . 11 1 1 A 37 37 GLY HA3 H 37 3.924 4.094 -0.170 1
1 351 . 11 1 1 A 37 37 GLY C C 37 174.151 174.700 -0.549 1
1 352 . 11 1 1 A 37 37 GLY CA C 37 45.327 45.261 0.066 1
1 353 . 11 1 1 A 38 38 GLN H H 38 8.214 8.784 -0.570 1
1 354 . 11 1 1 A 38 38 GLN HA H 38 4.419 4.412 0.007 1
1 360 . 11 1 1 A 38 38 GLN C C 38 176.047 176.956 -0.909 1
1 361 . 11 1 1 A 38 38 GLN CA C 38 55.808 57.156 -1.348 1
1 362 . 11 1 1 A 38 38 GLN CB C 38 29.587 29.784 -0.197 1
1 364 . 11 1 1 A 38 38 GLN N N 38 119.770 120.756 -0.986 1
1 366 . 11 1 1 A 39 39 SER H H 39 8.420 7.716 0.704 1
1 367 . 11 1 1 A 39 39 SER HA H 39 4.510 4.699 -0.189 1
1 370 . 11 1 1 A 39 39 SER C C 39 174.504 173.893 0.611 1
1 371 . 11 1 1 A 39 39 SER CA C 39 58.371 57.156 1.215 1
1 372 . 11 1 1 A 39 39 SER CB C 39 64.007 63.605 0.402 1
1 373 . 11 1 1 A 39 39 SER N N 39 117.120 113.315 3.805 1
1 374 . 11 1 1 A 40 40 GLY H H 40 8.269 8.234 0.035 1
1 375 . 11 1 1 A 40 40 GLY HA2 H 40 4.108 3.989 0.119 1
1 376 . 11 1 1 A 40 40 GLY HA3 H 40 4.182 3.990 0.192 1
1 377 . 11 1 1 A 40 40 GLY C C 40 171.768 173.326 -1.558 1
1 378 . 11 1 1 A 40 40 GLY CA C 40 44.645 45.038 -0.393 1
1 379 . 11 1 1 A 40 40 GLY N N 40 110.759 110.861 -0.102 1
1 380 . 11 1 1 A 41 41 PRO HA H 41 4.490 4.714 -0.224 1
1 387 . 11 1 1 A 41 41 PRO C C 41 177.377 175.997 1.380 1
1 388 . 11 1 1 A 41 41 PRO CA C 41 63.244 62.678 0.566 1
1 389 . 11 1 1 A 41 41 PRO CB C 41 32.185 30.986 1.199 1
1 392 . 11 1 1 A 42 42 SER H H 42 8.514 7.961 0.553 1
1 393 . 11 1 1 A 42 42 SER C C 42 174.655 173.177 1.478 1
1 394 . 11 1 1 A 42 42 SER CA C 42 58.447 57.523 0.924 1
1 395 . 11 1 1 A 42 42 SER CB C 42 64.027 66.061 -2.034 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 4.008 4.209 -0.201 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.008 4.210 -0.202 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.487 174.036 0.451 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.536 46.003 -0.467 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.161 8.674 -0.513 1
1 6 . 12 1 1 A 8 8 THR HA H 8 4.393 4.524 -0.131 1
1 11 . 12 1 1 A 8 8 THR C C 8 175.248 174.337 0.911 1
1 12 . 12 1 1 A 8 8 THR CA C 8 61.821 62.228 -0.407 1
1 13 . 12 1 1 A 8 8 THR CB C 8 69.873 70.587 -0.714 1
1 15 . 12 1 1 A 8 8 THR N N 8 112.733 117.173 -4.440 1
1 16 . 12 1 1 A 9 9 GLY H H 9 8.469 7.401 1.068 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 4.008 4.108 -0.100 1
1 18 . 12 1 1 A 9 9 GLY HA3 H 9 4.008 4.108 -0.100 1
1 19 . 12 1 1 A 9 9 GLY C C 9 174.052 172.136 1.916 1
1 20 . 12 1 1 A 9 9 GLY CA C 9 45.528 44.495 1.033 1
1 21 . 12 1 1 A 9 9 GLY N N 9 111.035 108.678 2.357 1
1 22 . 12 1 1 A 10 10 GLU H H 10 8.214 8.554 -0.340 1
1 23 . 12 1 1 A 10 10 GLU HA H 10 4.246 5.025 -0.779 1
1 28 . 12 1 1 A 10 10 GLU C C 10 175.942 175.116 0.826 1
1 29 . 12 1 1 A 10 10 GLU CA C 10 56.603 55.213 1.390 1
1 30 . 12 1 1 A 10 10 GLU CB C 10 30.592 33.026 -2.434 1
1 32 . 12 1 1 A 10 10 GLU N N 10 119.967 119.461 0.506 1
1 33 . 12 1 1 A 11 11 ASN H H 11 8.407 8.948 -0.541 1
1 34 . 12 1 1 A 11 11 ASN HA H 11 4.947 5.213 -0.266 1
1 39 . 12 1 1 A 11 11 ASN C C 11 172.759 175.274 -2.515 1
1 40 . 12 1 1 A 11 11 ASN CA C 11 51.229 50.166 1.063 1
1 41 . 12 1 1 A 11 11 ASN CB C 11 39.486 39.548 -0.062 1
1 42 . 12 1 1 A 11 11 ASN N N 11 119.687 123.574 -3.887 1
1 44 . 12 1 1 A 12 12 PRO HA H 12 4.295 4.290 0.005 1
1 51 . 12 1 1 A 12 12 PRO C C 12 176.280 175.786 0.494 1
1 52 . 12 1 1 A 12 12 PRO CA C 12 63.512 64.217 -0.705 1
1 53 . 12 1 1 A 12 12 PRO CB C 12 32.183 31.614 0.569 1
1 56 . 12 1 1 A 13 13 TYR H H 13 8.160 7.569 0.591 1
1 57 . 12 1 1 A 13 13 TYR HA H 13 4.694 5.304 -0.610 1
1 64 . 12 1 1 A 13 13 TYR C C 13 173.960 174.214 -0.254 1
1 65 . 12 1 1 A 13 13 TYR CA C 13 56.912 56.604 0.308 1
1 66 . 12 1 1 A 13 13 TYR CB C 13 38.357 40.420 -2.063 1
1 71 . 12 1 1 A 13 13 TYR N N 13 118.775 117.833 0.942 1
1 72 . 12 1 1 A 14 14 GLU H H 14 8.335 9.099 -0.764 1
1 73 . 12 1 1 A 14 14 GLU HA H 14 5.017 5.356 -0.339 1
1 78 . 12 1 1 A 14 14 GLU C C 14 175.182 174.637 0.545 1
1 79 . 12 1 1 A 14 14 GLU CA C 14 54.455 54.757 -0.302 1
1 80 . 12 1 1 A 14 14 GLU CB C 14 33.214 33.597 -0.383 1
1 82 . 12 1 1 A 14 14 GLU N N 14 123.792 125.367 -1.575 1
1 83 . 12 1 1 A 15 15 CYS H H 15 9.398 9.061 0.337 1
1 84 . 12 1 1 A 15 15 CYS HA H 15 4.648 4.645 0.003 1
1 87 . 12 1 1 A 15 15 CYS C C 15 177.220 174.777 2.443 1
1 88 . 12 1 1 A 15 15 CYS CA C 15 59.337 57.948 1.389 1
1 89 . 12 1 1 A 15 15 CYS CB C 15 29.644 27.083 2.561 1
1 90 . 12 1 1 A 15 15 CYS N N 15 127.444 125.435 2.009 1
1 91 . 12 1 1 A 16 16 CYS H H 16 9.319 7.952 1.367 1
1 92 . 12 1 1 A 16 16 CYS HA H 16 4.475 4.134 0.341 1
1 95 . 12 1 1 A 16 16 CYS C C 16 174.596 176.868 -2.272 1
1 96 . 12 1 1 A 16 16 CYS CA C 16 60.515 62.759 -2.244 1
1 97 . 12 1 1 A 16 16 CYS CB C 16 27.201 27.128 0.073 1
1 98 . 12 1 1 A 16 16 CYS N N 16 130.435 126.089 4.346 1
1 99 . 12 1 1 A 17 17 GLU H H 17 8.688 8.218 0.470 1
1 100 . 12 1 1 A 17 17 GLU HA H 17 4.287 3.976 0.311 1
1 105 . 12 1 1 A 17 17 GLU C C 17 177.134 177.934 -0.800 1
1 106 . 12 1 1 A 17 17 GLU CA C 17 58.287 59.530 -1.243 1
1 107 . 12 1 1 A 17 17 GLU CB C 17 29.747 29.245 0.502 1
1 109 . 12 1 1 A 17 17 GLU N N 17 122.479 120.047 2.432 1
1 110 . 12 1 1 A 18 18 CYS H H 18 7.912 7.411 0.501 1
1 111 . 12 1 1 A 18 18 CYS HA H 18 5.182 4.613 0.569 1
1 114 . 12 1 1 A 18 18 CYS C C 18 176.224 175.321 0.903 1
1 115 . 12 1 1 A 18 18 CYS CA C 18 58.452 59.490 -1.038 1
1 116 . 12 1 1 A 18 18 CYS CB C 18 32.577 29.722 2.855 1
1 117 . 12 1 1 A 18 18 CYS N N 18 114.583 114.667 -0.084 1
1 118 . 12 1 1 A 19 19 GLY H H 19 8.302 8.391 -0.089 1
1 119 . 12 1 1 A 19 19 GLY HA2 H 19 3.918 4.072 -0.154 1
1 120 . 12 1 1 A 19 19 GLY HA3 H 19 4.235 4.074 0.161 1
1 121 . 12 1 1 A 19 19 GLY C C 19 173.879 174.190 -0.311 1
1 122 . 12 1 1 A 19 19 GLY CA C 19 46.133 45.215 0.918 1
1 123 . 12 1 1 A 19 19 GLY N N 19 113.493 109.946 3.547 1
1 124 . 12 1 1 A 20 20 LYS H H 20 7.918 7.585 0.333 1
1 125 . 12 1 1 A 20 20 LYS HA H 20 4.006 4.608 -0.602 1
1 134 . 12 1 1 A 20 20 LYS C C 20 174.253 175.504 -1.251 1
1 135 . 12 1 1 A 20 20 LYS CA C 20 58.177 54.988 3.189 1
1 136 . 12 1 1 A 20 20 LYS CB C 20 33.916 34.570 -0.654 1
1 140 . 12 1 1 A 20 20 LYS N N 20 122.419 119.005 3.414 1
1 141 . 12 1 1 A 21 21 VAL H H 21 7.565 8.120 -0.555 1
1 142 . 12 1 1 A 21 21 VAL HA H 21 4.798 4.941 -0.143 1
1 150 . 12 1 1 A 21 21 VAL C C 21 175.151 173.849 1.302 1
1 151 . 12 1 1 A 21 21 VAL CA C 21 60.194 60.258 -0.064 1
1 152 . 12 1 1 A 21 21 VAL CB C 21 34.074 35.861 -1.787 1
1 155 . 12 1 1 A 21 21 VAL N N 21 116.838 119.999 -3.161 1
1 156 . 12 1 1 A 22 22 PHE H H 22 8.603 8.701 -0.098 1
1 157 . 12 1 1 A 22 22 PHE HA H 22 4.787 4.989 -0.202 1
1 165 . 12 1 1 A 22 22 PHE C C 22 175.198 175.475 -0.277 1
1 166 . 12 1 1 A 22 22 PHE CA C 22 56.970 56.435 0.535 1
1 167 . 12 1 1 A 22 22 PHE CB C 22 43.313 43.992 -0.679 1
1 173 . 12 1 1 A 22 22 PHE N N 22 121.088 123.329 -2.241 1
1 174 . 12 1 1 A 23 23 SER H H 23 8.908 9.010 -0.102 1
1 175 . 12 1 1 A 23 23 SER HA H 23 4.678 4.704 -0.026 1
1 178 . 12 1 1 A 23 23 SER C C 23 174.535 174.470 0.065 1
1 179 . 12 1 1 A 23 23 SER CA C 23 60.208 60.248 -0.040 1
1 180 . 12 1 1 A 23 23 SER CB C 23 64.284 64.494 -0.210 1
1 181 . 12 1 1 A 23 23 SER N N 23 115.507 115.951 -0.444 1
1 182 . 12 1 1 A 24 24 ARG H H 24 7.696 7.882 -0.186 1
1 183 . 12 1 1 A 24 24 ARG HA H 24 4.727 4.393 0.334 1
1 190 . 12 1 1 A 24 24 ARG C C 24 176.245 175.767 0.478 1
1 191 . 12 1 1 A 24 24 ARG CA C 24 54.240 54.263 -0.023 1
1 192 . 12 1 1 A 24 24 ARG CB C 24 35.386 32.625 2.761 1
1 195 . 12 1 1 A 24 24 ARG N N 24 117.322 119.282 -1.960 1
1 196 . 12 1 1 A 25 25 LYS H H 25 8.456 7.981 0.475 1
1 197 . 12 1 1 A 25 25 LYS HA H 25 3.035 3.272 -0.237 1
1 206 . 12 1 1 A 25 25 LYS C C 25 177.886 177.828 0.058 1
1 207 . 12 1 1 A 25 25 LYS CA C 25 59.309 60.100 -0.791 1
1 208 . 12 1 1 A 25 25 LYS CB C 25 31.983 32.209 -0.226 1
1 212 . 12 1 1 A 25 25 LYS N N 25 125.034 125.471 -0.437 1
1 213 . 12 1 1 A 26 26 ASP H H 26 8.540 8.250 0.290 1
1 214 . 12 1 1 A 26 26 ASP HA H 26 4.142 4.171 -0.029 1
1 217 . 12 1 1 A 26 26 ASP C C 26 178.695 178.625 0.070 1
1 218 . 12 1 1 A 26 26 ASP CA C 26 56.780 57.334 -0.554 1
1 219 . 12 1 1 A 26 26 ASP CB C 26 39.330 40.171 -0.841 1
1 220 . 12 1 1 A 26 26 ASP N N 26 114.989 118.597 -3.608 1
1 221 . 12 1 1 A 27 27 GLN H H 27 6.981 8.203 -1.222 1
1 222 . 12 1 1 A 27 27 GLN HA H 27 3.987 3.954 0.033 1
1 229 . 12 1 1 A 27 27 GLN C C 27 178.473 178.014 0.459 1
1 230 . 12 1 1 A 27 27 GLN CA C 27 57.612 58.590 -0.978 1
1 231 . 12 1 1 A 27 27 GLN CB C 27 28.915 28.374 0.541 1
1 233 . 12 1 1 A 27 27 GLN N N 27 119.394 117.887 1.507 1
1 235 . 12 1 1 A 28 28 LEU H H 28 6.969 7.733 -0.764 1
1 236 . 12 1 1 A 28 28 LEU HA H 28 3.249 2.793 0.456 1
1 246 . 12 1 1 A 28 28 LEU C C 28 177.627 178.467 -0.840 1
1 247 . 12 1 1 A 28 28 LEU CA C 28 57.956 57.432 0.524 1
1 248 . 12 1 1 A 28 28 LEU CB C 28 40.568 41.434 -0.866 1
1 252 . 12 1 1 A 28 28 LEU N N 28 121.993 121.663 0.330 1
1 253 . 12 1 1 A 29 29 VAL H H 29 8.261 8.020 0.241 1
1 254 . 12 1 1 A 29 29 VAL HA H 29 3.704 3.485 0.219 1
1 262 . 12 1 1 A 29 29 VAL C C 29 179.259 178.160 1.099 1
1 263 . 12 1 1 A 29 29 VAL CA C 29 66.532 66.931 -0.399 1
1 264 . 12 1 1 A 29 29 VAL CB C 29 31.765 31.460 0.305 1
1 267 . 12 1 1 A 29 29 VAL N N 29 119.585 119.779 -0.194 1
1 268 . 12 1 1 A 30 30 SER H H 30 7.721 7.960 -0.239 1
1 269 . 12 1 1 A 30 30 SER HA H 30 4.104 4.214 -0.110 1
1 272 . 12 1 1 A 30 30 SER C C 30 177.207 176.834 0.373 1
1 273 . 12 1 1 A 30 30 SER CA C 30 61.647 61.571 0.076 1
1 274 . 12 1 1 A 30 30 SER CB C 30 62.575 62.196 0.379 1
1 275 . 12 1 1 A 30 30 SER N N 30 113.762 113.767 -0.005 1
1 276 . 12 1 1 A 31 31 HIS H H 31 7.676 7.436 0.240 1
1 277 . 12 1 1 A 31 31 HIS HA H 31 4.271 4.325 -0.054 1
1 282 . 12 1 1 A 31 31 HIS C C 31 177.982 177.719 0.263 1
1 283 . 12 1 1 A 31 31 HIS CA C 31 59.051 59.523 -0.472 1
1 284 . 12 1 1 A 31 31 HIS CB C 31 28.436 29.641 -1.205 1
1 287 . 12 1 1 A 31 31 HIS N N 31 120.492 121.542 -1.050 1
1 288 . 12 1 1 A 32 32 GLN H H 32 8.881 8.519 0.362 1
1 289 . 12 1 1 A 32 32 GLN HA H 32 3.718 4.015 -0.297 1
1 296 . 12 1 1 A 32 32 GLN C C 32 177.983 178.832 -0.849 1
1 297 . 12 1 1 A 32 32 GLN CA C 32 59.912 59.190 0.722 1
1 298 . 12 1 1 A 32 32 GLN CB C 32 28.124 28.212 -0.088 1
1 300 . 12 1 1 A 32 32 GLN N N 32 120.621 119.156 1.465 1
1 302 . 12 1 1 A 33 33 LYS H H 33 7.245 7.951 -0.706 1
1 303 . 12 1 1 A 33 33 LYS HA H 33 4.151 4.082 0.069 1
1 312 . 12 1 1 A 33 33 LYS C C 33 178.380 177.148 1.232 1
1 313 . 12 1 1 A 33 33 LYS CA C 33 58.671 58.607 0.064 1
1 314 . 12 1 1 A 33 33 LYS CB C 33 32.152 32.235 -0.083 1
1 318 . 12 1 1 A 33 33 LYS N N 33 117.710 119.937 -2.227 1
1 319 . 12 1 1 A 34 34 THR H H 34 7.753 7.323 0.430 1
1 320 . 12 1 1 A 34 34 THR HA H 34 4.151 4.423 -0.272 1
1 325 . 12 1 1 A 34 34 THR C C 34 175.449 173.451 1.998 1
1 326 . 12 1 1 A 34 34 THR CA C 34 63.751 61.303 2.448 1
1 327 . 12 1 1 A 34 34 THR CB C 34 69.354 69.096 0.258 1
1 329 . 12 1 1 A 34 34 THR N N 34 109.516 112.627 -3.111 1
1 330 . 12 1 1 A 35 35 HIS H H 35 7.153 7.378 -0.225 1
1 331 . 12 1 1 A 35 35 HIS HA H 35 4.874 4.962 -0.088 1
1 336 . 12 1 1 A 35 35 HIS C C 35 175.240 174.746 0.494 1
1 337 . 12 1 1 A 35 35 HIS CA C 35 55.228 53.719 1.509 1
1 338 . 12 1 1 A 35 35 HIS CB C 35 28.899 32.936 -4.037 1
1 341 . 12 1 1 A 35 35 HIS N N 35 118.672 121.739 -3.067 1
1 342 . 12 1 1 A 36 36 SER H H 36 7.936 8.650 -0.714 1
1 345 . 12 1 1 A 36 36 SER C C 36 175.155 173.375 1.780 1
1 346 . 12 1 1 A 36 36 SER CA C 36 58.865 59.379 -0.514 1
1 347 . 12 1 1 A 36 36 SER CB C 36 63.926 61.771 2.155 1
1 348 . 12 1 1 A 36 36 SER N N 36 115.177 113.330 1.847 1
1 349 . 12 1 1 A 37 37 GLY HA2 H 37 4.000 4.188 -0.188 1
1 350 . 12 1 1 A 37 37 GLY HA3 H 37 3.924 4.197 -0.273 1
1 351 . 12 1 1 A 37 37 GLY C C 37 174.151 174.346 -0.195 1
1 352 . 12 1 1 A 37 37 GLY CA C 37 45.327 43.755 1.572 1
1 353 . 12 1 1 A 38 38 GLN H H 38 8.214 9.030 -0.816 1
1 354 . 12 1 1 A 38 38 GLN HA H 38 4.419 4.014 0.405 1
1 360 . 12 1 1 A 38 38 GLN C C 38 176.047 176.203 -0.156 1
1 361 . 12 1 1 A 38 38 GLN CA C 38 55.808 56.686 -0.878 1
1 362 . 12 1 1 A 38 38 GLN CB C 38 29.587 27.364 2.223 1
1 364 . 12 1 1 A 38 38 GLN N N 38 119.770 122.664 -2.894 1
1 366 . 12 1 1 A 39 39 SER H H 39 8.420 7.910 0.510 1
1 367 . 12 1 1 A 39 39 SER HA H 39 4.510 4.637 -0.127 1
1 370 . 12 1 1 A 39 39 SER C C 39 174.504 174.170 0.334 1
1 371 . 12 1 1 A 39 39 SER CA C 39 58.371 57.765 0.606 1
1 372 . 12 1 1 A 39 39 SER CB C 39 64.007 63.410 0.597 1
1 373 . 12 1 1 A 39 39 SER N N 39 117.120 115.051 2.069 1
1 374 . 12 1 1 A 40 40 GLY H H 40 8.269 7.583 0.686 1
1 375 . 12 1 1 A 40 40 GLY HA2 H 40 4.108 4.164 -0.056 1
1 376 . 12 1 1 A 40 40 GLY HA3 H 40 4.182 4.164 0.018 1
1 377 . 12 1 1 A 40 40 GLY C C 40 171.768 173.748 -1.980 1
1 378 . 12 1 1 A 40 40 GLY CA C 40 44.645 44.654 -0.009 1
1 379 . 12 1 1 A 40 40 GLY N N 40 110.759 110.033 0.726 1
1 380 . 12 1 1 A 41 41 PRO HA H 41 4.490 4.402 0.088 1
1 387 . 12 1 1 A 41 41 PRO C C 41 177.377 177.379 -0.002 1
1 388 . 12 1 1 A 41 41 PRO CA C 41 63.244 64.009 -0.765 1
1 389 . 12 1 1 A 41 41 PRO CB C 41 32.185 32.010 0.175 1
1 392 . 12 1 1 A 42 42 SER H H 42 8.514 8.106 0.408 1
1 393 . 12 1 1 A 42 42 SER C C 42 174.655 174.403 0.252 1
1 394 . 12 1 1 A 42 42 SER CA C 42 58.447 61.184 -2.737 1
1 395 . 12 1 1 A 42 42 SER CB C 42 64.027 62.709 1.318 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 4.008 4.184 -0.176 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.008 4.185 -0.177 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.487 174.683 -0.196 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.536 44.577 0.959 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.161 8.535 -0.374 1
1 6 . 13 1 1 A 8 8 THR HA H 8 4.393 4.042 0.351 1
1 11 . 13 1 1 A 8 8 THR C C 8 175.248 174.920 0.328 1
1 12 . 13 1 1 A 8 8 THR CA C 8 61.821 65.525 -3.704 1
1 13 . 13 1 1 A 8 8 THR CB C 8 69.873 69.470 0.403 1
1 15 . 13 1 1 A 8 8 THR N N 8 112.733 114.898 -2.165 1
1 16 . 13 1 1 A 9 9 GLY H H 9 8.469 7.760 0.709 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 4.008 4.062 -0.054 1
1 18 . 13 1 1 A 9 9 GLY HA3 H 9 4.008 4.065 -0.057 1
1 19 . 13 1 1 A 9 9 GLY C C 9 174.052 173.829 0.223 1
1 20 . 13 1 1 A 9 9 GLY CA C 9 45.528 43.809 1.719 1
1 21 . 13 1 1 A 9 9 GLY N N 9 111.035 106.948 4.087 1
1 22 . 13 1 1 A 10 10 GLU H H 10 8.214 8.406 -0.192 1
1 23 . 13 1 1 A 10 10 GLU HA H 10 4.246 4.226 0.020 1
1 28 . 13 1 1 A 10 10 GLU C C 10 175.942 176.018 -0.076 1
1 29 . 13 1 1 A 10 10 GLU CA C 10 56.603 56.672 -0.069 1
1 30 . 13 1 1 A 10 10 GLU CB C 10 30.592 29.931 0.661 1
1 32 . 13 1 1 A 10 10 GLU N N 10 119.967 121.254 -1.287 1
1 33 . 13 1 1 A 11 11 ASN H H 11 8.407 8.840 -0.433 1
1 34 . 13 1 1 A 11 11 ASN HA H 11 4.947 4.759 0.188 1
1 39 . 13 1 1 A 11 11 ASN C C 11 172.759 175.059 -2.300 1
1 40 . 13 1 1 A 11 11 ASN CA C 11 51.229 51.672 -0.443 1
1 41 . 13 1 1 A 11 11 ASN CB C 11 39.486 37.803 1.683 1
1 42 . 13 1 1 A 11 11 ASN N N 11 119.687 121.328 -1.641 1
1 44 . 13 1 1 A 12 12 PRO HA H 12 4.295 4.386 -0.091 1
1 51 . 13 1 1 A 12 12 PRO C C 12 176.280 175.674 0.606 1
1 52 . 13 1 1 A 12 12 PRO CA C 12 63.512 63.925 -0.413 1
1 53 . 13 1 1 A 12 12 PRO CB C 12 32.183 31.273 0.910 1
1 56 . 13 1 1 A 13 13 TYR H H 13 8.160 7.519 0.641 1
1 57 . 13 1 1 A 13 13 TYR HA H 13 4.694 4.832 -0.138 1
1 64 . 13 1 1 A 13 13 TYR C C 13 173.960 174.335 -0.375 1
1 65 . 13 1 1 A 13 13 TYR CA C 13 56.912 56.611 0.301 1
1 66 . 13 1 1 A 13 13 TYR CB C 13 38.357 37.162 1.195 1
1 71 . 13 1 1 A 13 13 TYR N N 13 118.775 118.921 -0.146 1
1 72 . 13 1 1 A 14 14 GLU H H 14 8.335 8.865 -0.530 1
1 73 . 13 1 1 A 14 14 GLU HA H 14 5.017 5.163 -0.146 1
1 78 . 13 1 1 A 14 14 GLU C C 14 175.182 175.661 -0.479 1
1 79 . 13 1 1 A 14 14 GLU CA C 14 54.455 54.851 -0.396 1
1 80 . 13 1 1 A 14 14 GLU CB C 14 33.214 33.078 0.136 1
1 82 . 13 1 1 A 14 14 GLU N N 14 123.792 125.369 -1.577 1
1 83 . 13 1 1 A 15 15 CYS H H 15 9.398 9.358 0.040 1
1 84 . 13 1 1 A 15 15 CYS HA H 15 4.648 4.619 0.029 1
1 87 . 13 1 1 A 15 15 CYS C C 15 177.220 175.759 1.461 1
1 88 . 13 1 1 A 15 15 CYS CA C 15 59.337 59.111 0.226 1
1 89 . 13 1 1 A 15 15 CYS CB C 15 29.644 28.201 1.443 1
1 90 . 13 1 1 A 15 15 CYS N N 15 127.444 125.765 1.679 1
1 91 . 13 1 1 A 16 16 CYS H H 16 9.319 8.664 0.655 1
1 92 . 13 1 1 A 16 16 CYS HA H 16 4.475 4.692 -0.217 1
1 95 . 13 1 1 A 16 16 CYS C C 16 174.596 175.010 -0.414 1
1 96 . 13 1 1 A 16 16 CYS CA C 16 60.515 58.932 1.583 1
1 97 . 13 1 1 A 16 16 CYS CB C 16 27.201 27.725 -0.524 1
1 98 . 13 1 1 A 16 16 CYS N N 16 130.435 126.174 4.261 1
1 99 . 13 1 1 A 17 17 GLU H H 17 8.688 8.001 0.687 1
1 100 . 13 1 1 A 17 17 GLU HA H 17 4.287 4.447 -0.160 1
1 105 . 13 1 1 A 17 17 GLU C C 17 177.134 177.752 -0.618 1
1 106 . 13 1 1 A 17 17 GLU CA C 17 58.287 57.032 1.255 1
1 107 . 13 1 1 A 17 17 GLU CB C 17 29.747 31.971 -2.224 1
1 109 . 13 1 1 A 17 17 GLU N N 17 122.479 120.019 2.460 1
1 110 . 13 1 1 A 18 18 CYS H H 18 7.912 7.446 0.466 1
1 111 . 13 1 1 A 18 18 CYS HA H 18 5.182 4.637 0.545 1
1 114 . 13 1 1 A 18 18 CYS C C 18 176.224 175.399 0.825 1
1 115 . 13 1 1 A 18 18 CYS CA C 18 58.452 59.413 -0.961 1
1 116 . 13 1 1 A 18 18 CYS CB C 18 32.577 30.034 2.543 1
1 117 . 13 1 1 A 18 18 CYS N N 18 114.583 114.733 -0.150 1
1 118 . 13 1 1 A 19 19 GLY H H 19 8.302 8.449 -0.147 1
1 119 . 13 1 1 A 19 19 GLY HA2 H 19 3.918 4.007 -0.089 1
1 120 . 13 1 1 A 19 19 GLY HA3 H 19 4.235 4.018 0.217 1
1 121 . 13 1 1 A 19 19 GLY C C 19 173.879 173.935 -0.056 1
1 122 . 13 1 1 A 19 19 GLY CA C 19 46.133 46.236 -0.103 1
1 123 . 13 1 1 A 19 19 GLY N N 19 113.493 109.877 3.616 1
1 124 . 13 1 1 A 20 20 LYS H H 20 7.918 7.815 0.103 1
1 125 . 13 1 1 A 20 20 LYS HA H 20 4.006 4.773 -0.767 1
1 134 . 13 1 1 A 20 20 LYS C C 20 174.253 174.763 -0.510 1
1 135 . 13 1 1 A 20 20 LYS CA C 20 58.177 54.269 3.908 1
1 136 . 13 1 1 A 20 20 LYS CB C 20 33.916 36.112 -2.196 1
1 140 . 13 1 1 A 20 20 LYS N N 20 122.419 119.591 2.828 1
1 141 . 13 1 1 A 21 21 VAL H H 21 7.565 8.766 -1.201 1
1 142 . 13 1 1 A 21 21 VAL HA H 21 4.798 5.018 -0.220 1
1 150 . 13 1 1 A 21 21 VAL C C 21 175.151 174.746 0.405 1
1 151 . 13 1 1 A 21 21 VAL CA C 21 60.194 61.282 -1.088 1
1 152 . 13 1 1 A 21 21 VAL CB C 21 34.074 33.498 0.576 1
1 155 . 13 1 1 A 21 21 VAL N N 21 116.838 124.015 -7.177 1
1 156 . 13 1 1 A 22 22 PHE H H 22 8.603 8.876 -0.273 1
1 157 . 13 1 1 A 22 22 PHE HA H 22 4.787 5.005 -0.218 1
1 165 . 13 1 1 A 22 22 PHE C C 22 175.198 175.661 -0.463 1
1 166 . 13 1 1 A 22 22 PHE CA C 22 56.970 56.507 0.463 1
1 167 . 13 1 1 A 22 22 PHE CB C 22 43.313 43.623 -0.310 1
1 173 . 13 1 1 A 22 22 PHE N N 22 121.088 123.713 -2.625 1
1 174 . 13 1 1 A 23 23 SER H H 23 8.908 9.029 -0.121 1
1 175 . 13 1 1 A 23 23 SER HA H 23 4.678 4.665 0.013 1
1 178 . 13 1 1 A 23 23 SER C C 23 174.535 174.771 -0.236 1
1 179 . 13 1 1 A 23 23 SER CA C 23 60.208 58.871 1.337 1
1 180 . 13 1 1 A 23 23 SER CB C 23 64.284 63.898 0.386 1
1 181 . 13 1 1 A 23 23 SER N N 23 115.507 115.068 0.439 1
1 182 . 13 1 1 A 24 24 ARG H H 24 7.696 7.837 -0.141 1
1 183 . 13 1 1 A 24 24 ARG HA H 24 4.727 4.553 0.174 1
1 190 . 13 1 1 A 24 24 ARG C C 24 176.245 175.537 0.708 1
1 191 . 13 1 1 A 24 24 ARG CA C 24 54.240 54.209 0.031 1
1 192 . 13 1 1 A 24 24 ARG CB C 24 35.386 32.962 2.424 1
1 195 . 13 1 1 A 24 24 ARG N N 24 117.322 120.108 -2.786 1
1 196 . 13 1 1 A 25 25 LYS H H 25 8.456 7.795 0.661 1
1 197 . 13 1 1 A 25 25 LYS HA H 25 3.035 3.031 0.004 1
1 206 . 13 1 1 A 25 25 LYS C C 25 177.886 177.454 0.432 1
1 207 . 13 1 1 A 25 25 LYS CA C 25 59.309 59.939 -0.630 1
1 208 . 13 1 1 A 25 25 LYS CB C 25 31.983 31.726 0.257 1
1 212 . 13 1 1 A 25 25 LYS N N 25 125.034 124.434 0.600 1
1 213 . 13 1 1 A 26 26 ASP H H 26 8.540 8.399 0.141 1
1 214 . 13 1 1 A 26 26 ASP HA H 26 4.142 4.274 -0.132 1
1 217 . 13 1 1 A 26 26 ASP C C 26 178.695 178.799 -0.104 1
1 218 . 13 1 1 A 26 26 ASP CA C 26 56.780 56.720 0.060 1
1 219 . 13 1 1 A 26 26 ASP CB C 26 39.330 40.414 -1.084 1
1 220 . 13 1 1 A 26 26 ASP N N 26 114.989 117.555 -2.566 1
1 221 . 13 1 1 A 27 27 GLN H H 27 6.981 7.826 -0.845 1
1 222 . 13 1 1 A 27 27 GLN HA H 27 3.987 3.967 0.020 1
1 229 . 13 1 1 A 27 27 GLN C C 27 178.473 178.077 0.396 1
1 230 . 13 1 1 A 27 27 GLN CA C 27 57.612 58.436 -0.824 1
1 231 . 13 1 1 A 27 27 GLN CB C 27 28.915 28.285 0.630 1
1 233 . 13 1 1 A 27 27 GLN N N 27 119.394 118.346 1.048 1
1 235 . 13 1 1 A 28 28 LEU H H 28 6.969 7.828 -0.859 1
1 236 . 13 1 1 A 28 28 LEU HA H 28 3.249 2.848 0.401 1
1 246 . 13 1 1 A 28 28 LEU C C 28 177.627 178.260 -0.633 1
1 247 . 13 1 1 A 28 28 LEU CA C 28 57.956 57.209 0.747 1
1 248 . 13 1 1 A 28 28 LEU CB C 28 40.568 41.499 -0.931 1
1 252 . 13 1 1 A 28 28 LEU N N 28 121.993 121.658 0.335 1
1 253 . 13 1 1 A 29 29 VAL H H 29 8.261 8.238 0.023 1
1 254 . 13 1 1 A 29 29 VAL HA H 29 3.704 3.386 0.318 1
1 262 . 13 1 1 A 29 29 VAL C C 29 179.259 177.981 1.278 1
1 263 . 13 1 1 A 29 29 VAL CA C 29 66.532 66.889 -0.357 1
1 264 . 13 1 1 A 29 29 VAL CB C 29 31.765 31.485 0.280 1
1 267 . 13 1 1 A 29 29 VAL N N 29 119.585 119.302 0.283 1
1 268 . 13 1 1 A 30 30 SER H H 30 7.721 7.729 -0.008 1
1 269 . 13 1 1 A 30 30 SER HA H 30 4.104 4.023 0.081 1
1 272 . 13 1 1 A 30 30 SER C C 30 177.207 176.391 0.816 1
1 273 . 13 1 1 A 30 30 SER CA C 30 61.647 62.483 -0.836 1
1 274 . 13 1 1 A 30 30 SER CB C 30 62.575 63.209 -0.634 1
1 275 . 13 1 1 A 30 30 SER N N 30 113.762 115.932 -2.170 1
1 276 . 13 1 1 A 31 31 HIS H H 31 7.676 7.601 0.075 1
1 277 . 13 1 1 A 31 31 HIS HA H 31 4.271 4.220 0.051 1
1 282 . 13 1 1 A 31 31 HIS C C 31 177.982 176.783 1.199 1
1 283 . 13 1 1 A 31 31 HIS CA C 31 59.051 59.230 -0.179 1
1 284 . 13 1 1 A 31 31 HIS CB C 31 28.436 30.098 -1.662 1
1 287 . 13 1 1 A 31 31 HIS N N 31 120.492 121.503 -1.011 1
1 288 . 13 1 1 A 32 32 GLN H H 32 8.881 8.564 0.317 1
1 289 . 13 1 1 A 32 32 GLN HA H 32 3.718 3.783 -0.065 1
1 296 . 13 1 1 A 32 32 GLN C C 32 177.983 178.578 -0.595 1
1 297 . 13 1 1 A 32 32 GLN CA C 32 59.912 59.124 0.788 1
1 298 . 13 1 1 A 32 32 GLN CB C 32 28.124 28.332 -0.208 1
1 300 . 13 1 1 A 32 32 GLN N N 32 120.621 117.350 3.271 1
1 302 . 13 1 1 A 33 33 LYS H H 33 7.245 7.889 -0.644 1
1 303 . 13 1 1 A 33 33 LYS HA H 33 4.151 3.884 0.267 1
1 312 . 13 1 1 A 33 33 LYS C C 33 178.380 178.460 -0.080 1
1 313 . 13 1 1 A 33 33 LYS CA C 33 58.671 59.264 -0.593 1
1 314 . 13 1 1 A 33 33 LYS CB C 33 32.152 32.360 -0.208 1
1 318 . 13 1 1 A 33 33 LYS N N 33 117.710 119.225 -1.515 1
1 319 . 13 1 1 A 34 34 THR H H 34 7.753 8.329 -0.576 1
1 320 . 13 1 1 A 34 34 THR HA H 34 4.151 3.950 0.201 1
1 325 . 13 1 1 A 34 34 THR C C 34 175.449 174.792 0.657 1
1 326 . 13 1 1 A 34 34 THR CA C 34 63.751 65.246 -1.495 1
1 327 . 13 1 1 A 34 34 THR CB C 34 69.354 67.718 1.636 1
1 329 . 13 1 1 A 34 34 THR N N 34 109.516 112.390 -2.874 1
1 330 . 13 1 1 A 35 35 HIS H H 35 7.153 7.874 -0.721 1
1 331 . 13 1 1 A 35 35 HIS HA H 35 4.874 4.641 0.233 1
1 336 . 13 1 1 A 35 35 HIS C C 35 175.240 173.991 1.249 1
1 337 . 13 1 1 A 35 35 HIS CA C 35 55.228 55.021 0.207 1
1 338 . 13 1 1 A 35 35 HIS CB C 35 28.899 28.325 0.574 1
1 341 . 13 1 1 A 35 35 HIS N N 35 118.672 120.273 -1.601 1
1 342 . 13 1 1 A 36 36 SER H H 36 7.936 8.459 -0.523 1
1 345 . 13 1 1 A 36 36 SER C C 36 175.155 173.618 1.537 1
1 346 . 13 1 1 A 36 36 SER CA C 36 58.865 56.785 2.080 1
1 347 . 13 1 1 A 36 36 SER CB C 36 63.926 66.532 -2.606 1
1 348 . 13 1 1 A 36 36 SER N N 36 115.177 118.865 -3.688 1
1 349 . 13 1 1 A 37 37 GLY HA2 H 37 4.000 3.969 0.031 1
1 350 . 13 1 1 A 37 37 GLY HA3 H 37 3.924 3.970 -0.046 1
1 351 . 13 1 1 A 37 37 GLY C C 37 174.151 174.057 0.094 1
1 352 . 13 1 1 A 37 37 GLY CA C 37 45.327 45.963 -0.636 1
1 353 . 13 1 1 A 38 38 GLN H H 38 8.214 8.151 0.063 1
1 354 . 13 1 1 A 38 38 GLN HA H 38 4.419 4.205 0.214 1
1 360 . 13 1 1 A 38 38 GLN C C 38 176.047 175.446 0.601 1
1 361 . 13 1 1 A 38 38 GLN CA C 38 55.808 56.919 -1.111 1
1 362 . 13 1 1 A 38 38 GLN CB C 38 29.587 29.622 -0.035 1
1 364 . 13 1 1 A 38 38 GLN N N 38 119.770 123.473 -3.703 1
1 366 . 13 1 1 A 39 39 SER H H 39 8.420 8.481 -0.061 1
1 367 . 13 1 1 A 39 39 SER HA H 39 4.510 4.415 0.095 1
1 370 . 13 1 1 A 39 39 SER C C 39 174.504 174.936 -0.432 1
1 371 . 13 1 1 A 39 39 SER CA C 39 58.371 58.735 -0.364 1
1 372 . 13 1 1 A 39 39 SER CB C 39 64.007 62.885 1.122 1
1 373 . 13 1 1 A 39 39 SER N N 39 117.120 121.318 -4.198 1
1 374 . 13 1 1 A 40 40 GLY H H 40 8.269 8.700 -0.431 1
1 375 . 13 1 1 A 40 40 GLY HA2 H 40 4.108 4.059 0.049 1
1 376 . 13 1 1 A 40 40 GLY HA3 H 40 4.182 4.059 0.123 1
1 377 . 13 1 1 A 40 40 GLY C C 40 171.768 173.183 -1.415 1
1 378 . 13 1 1 A 40 40 GLY CA C 40 44.645 44.194 0.451 1
1 379 . 13 1 1 A 40 40 GLY N N 40 110.759 111.148 -0.389 1
1 380 . 13 1 1 A 41 41 PRO HA H 41 4.490 4.670 -0.180 1
1 387 . 13 1 1 A 41 41 PRO C C 41 177.377 176.589 0.788 1
1 388 . 13 1 1 A 41 41 PRO CA C 41 63.244 62.317 0.927 1
1 389 . 13 1 1 A 41 41 PRO CB C 41 32.185 29.604 2.581 1
1 392 . 13 1 1 A 42 42 SER H H 42 8.514 8.567 -0.053 1
1 393 . 13 1 1 A 42 42 SER C C 42 174.655 175.311 -0.656 1
1 394 . 13 1 1 A 42 42 SER CA C 42 58.447 60.493 -2.046 1
1 395 . 13 1 1 A 42 42 SER CB C 42 64.027 63.520 0.507 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 4.008 4.256 -0.248 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.008 4.257 -0.249 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.487 171.494 2.993 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.536 46.281 -0.745 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.161 8.419 -0.258 1
1 6 . 14 1 1 A 8 8 THR HA H 8 4.393 5.049 -0.656 1
1 11 . 14 1 1 A 8 8 THR C C 8 175.248 173.209 2.039 1
1 12 . 14 1 1 A 8 8 THR CA C 8 61.821 59.592 2.229 1
1 13 . 14 1 1 A 8 8 THR CB C 8 69.873 70.631 -0.758 1
1 15 . 14 1 1 A 8 8 THR N N 8 112.733 117.224 -4.491 1
1 16 . 14 1 1 A 9 9 GLY H H 9 8.469 8.434 0.035 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 4.008 4.087 -0.079 1
1 18 . 14 1 1 A 9 9 GLY HA3 H 9 4.008 4.088 -0.080 1
1 19 . 14 1 1 A 9 9 GLY C C 9 174.052 171.568 2.484 1
1 20 . 14 1 1 A 9 9 GLY CA C 9 45.528 44.009 1.519 1
1 21 . 14 1 1 A 9 9 GLY N N 9 111.035 114.348 -3.313 1
1 22 . 14 1 1 A 10 10 GLU H H 10 8.214 8.589 -0.375 1
1 23 . 14 1 1 A 10 10 GLU HA H 10 4.246 4.922 -0.676 1
1 28 . 14 1 1 A 10 10 GLU C C 10 175.942 174.799 1.143 1
1 29 . 14 1 1 A 10 10 GLU CA C 10 56.603 55.110 1.493 1
1 30 . 14 1 1 A 10 10 GLU CB C 10 30.592 33.233 -2.641 1
1 32 . 14 1 1 A 10 10 GLU N N 10 119.967 115.669 4.298 1
1 33 . 14 1 1 A 11 11 ASN H H 11 8.407 8.822 -0.415 1
1 34 . 14 1 1 A 11 11 ASN HA H 11 4.947 4.876 0.071 1
1 39 . 14 1 1 A 11 11 ASN C C 11 172.759 175.145 -2.386 1
1 40 . 14 1 1 A 11 11 ASN CA C 11 51.229 51.804 -0.575 1
1 41 . 14 1 1 A 11 11 ASN CB C 11 39.486 37.703 1.783 1
1 42 . 14 1 1 A 11 11 ASN N N 11 119.687 121.105 -1.418 1
1 44 . 14 1 1 A 12 12 PRO HA H 12 4.295 4.266 0.029 1
1 51 . 14 1 1 A 12 12 PRO C C 12 176.280 175.693 0.587 1
1 52 . 14 1 1 A 12 12 PRO CA C 12 63.512 64.080 -0.568 1
1 53 . 14 1 1 A 12 12 PRO CB C 12 32.183 31.321 0.862 1
1 56 . 14 1 1 A 13 13 TYR H H 13 8.160 7.452 0.708 1
1 57 . 14 1 1 A 13 13 TYR HA H 13 4.694 5.300 -0.606 1
1 64 . 14 1 1 A 13 13 TYR C C 13 173.960 174.350 -0.390 1
1 65 . 14 1 1 A 13 13 TYR CA C 13 56.912 56.604 0.308 1
1 66 . 14 1 1 A 13 13 TYR CB C 13 38.357 41.215 -2.858 1
1 71 . 14 1 1 A 13 13 TYR N N 13 118.775 117.848 0.927 1
1 72 . 14 1 1 A 14 14 GLU H H 14 8.335 9.020 -0.685 1
1 73 . 14 1 1 A 14 14 GLU HA H 14 5.017 5.207 -0.190 1
1 78 . 14 1 1 A 14 14 GLU C C 14 175.182 175.404 -0.222 1
1 79 . 14 1 1 A 14 14 GLU CA C 14 54.455 55.077 -0.622 1
1 80 . 14 1 1 A 14 14 GLU CB C 14 33.214 32.964 0.250 1
1 82 . 14 1 1 A 14 14 GLU N N 14 123.792 124.741 -0.949 1
1 83 . 14 1 1 A 15 15 CYS H H 15 9.398 8.727 0.671 1
1 84 . 14 1 1 A 15 15 CYS HA H 15 4.648 4.456 0.192 1
1 87 . 14 1 1 A 15 15 CYS C C 15 177.220 175.777 1.443 1
1 88 . 14 1 1 A 15 15 CYS CA C 15 59.337 60.351 -1.014 1
1 89 . 14 1 1 A 15 15 CYS CB C 15 29.644 28.794 0.850 1
1 90 . 14 1 1 A 15 15 CYS N N 15 127.444 125.637 1.807 1
1 91 . 14 1 1 A 16 16 CYS H H 16 9.319 8.658 0.661 1
1 92 . 14 1 1 A 16 16 CYS HA H 16 4.475 4.797 -0.322 1
1 95 . 14 1 1 A 16 16 CYS C C 16 174.596 174.929 -0.333 1
1 96 . 14 1 1 A 16 16 CYS CA C 16 60.515 58.809 1.706 1
1 97 . 14 1 1 A 16 16 CYS CB C 16 27.201 28.151 -0.950 1
1 98 . 14 1 1 A 16 16 CYS N N 16 130.435 126.436 3.999 1
1 99 . 14 1 1 A 17 17 GLU H H 17 8.688 8.051 0.637 1
1 100 . 14 1 1 A 17 17 GLU HA H 17 4.287 4.444 -0.157 1
1 105 . 14 1 1 A 17 17 GLU C C 17 177.134 177.704 -0.570 1
1 106 . 14 1 1 A 17 17 GLU CA C 17 58.287 57.296 0.991 1
1 107 . 14 1 1 A 17 17 GLU CB C 17 29.747 31.948 -2.201 1
1 109 . 14 1 1 A 17 17 GLU N N 17 122.479 119.964 2.515 1
1 110 . 14 1 1 A 18 18 CYS H H 18 7.912 8.103 -0.191 1
1 111 . 14 1 1 A 18 18 CYS HA H 18 5.182 4.620 0.562 1
1 114 . 14 1 1 A 18 18 CYS C C 18 176.224 175.346 0.878 1
1 115 . 14 1 1 A 18 18 CYS CA C 18 58.452 59.631 -1.179 1
1 116 . 14 1 1 A 18 18 CYS CB C 18 32.577 29.797 2.780 1
1 117 . 14 1 1 A 18 18 CYS N N 18 114.583 114.956 -0.373 1
1 118 . 14 1 1 A 19 19 GLY H H 19 8.302 8.002 0.300 1
1 119 . 14 1 1 A 19 19 GLY HA2 H 19 3.918 4.075 -0.157 1
1 120 . 14 1 1 A 19 19 GLY HA3 H 19 4.235 4.085 0.150 1
1 121 . 14 1 1 A 19 19 GLY C C 19 173.879 174.061 -0.182 1
1 122 . 14 1 1 A 19 19 GLY CA C 19 46.133 45.332 0.801 1
1 123 . 14 1 1 A 19 19 GLY N N 19 113.493 109.710 3.783 1
1 124 . 14 1 1 A 20 20 LYS H H 20 7.918 7.823 0.095 1
1 125 . 14 1 1 A 20 20 LYS HA H 20 4.006 4.666 -0.660 1
1 134 . 14 1 1 A 20 20 LYS C C 20 174.253 175.620 -1.367 1
1 135 . 14 1 1 A 20 20 LYS CA C 20 58.177 54.151 4.026 1
1 136 . 14 1 1 A 20 20 LYS CB C 20 33.916 34.570 -0.654 1
1 140 . 14 1 1 A 20 20 LYS N N 20 122.419 119.135 3.284 1
1 141 . 14 1 1 A 21 21 VAL H H 21 7.565 8.241 -0.676 1
1 142 . 14 1 1 A 21 21 VAL HA H 21 4.798 5.032 -0.234 1
1 150 . 14 1 1 A 21 21 VAL C C 21 175.151 174.183 0.968 1
1 151 . 14 1 1 A 21 21 VAL CA C 21 60.194 60.110 0.084 1
1 152 . 14 1 1 A 21 21 VAL CB C 21 34.074 35.857 -1.783 1
1 155 . 14 1 1 A 21 21 VAL N N 21 116.838 120.176 -3.338 1
1 156 . 14 1 1 A 22 22 PHE H H 22 8.603 8.718 -0.115 1
1 157 . 14 1 1 A 22 22 PHE HA H 22 4.787 4.968 -0.181 1
1 165 . 14 1 1 A 22 22 PHE C C 22 175.198 175.462 -0.264 1
1 166 . 14 1 1 A 22 22 PHE CA C 22 56.970 56.651 0.319 1
1 167 . 14 1 1 A 22 22 PHE CB C 22 43.313 44.092 -0.779 1
1 173 . 14 1 1 A 22 22 PHE N N 22 121.088 123.721 -2.633 1
1 174 . 14 1 1 A 23 23 SER H H 23 8.908 9.010 -0.102 1
1 175 . 14 1 1 A 23 23 SER HA H 23 4.678 4.610 0.068 1
1 178 . 14 1 1 A 23 23 SER C C 23 174.535 174.152 0.383 1
1 179 . 14 1 1 A 23 23 SER CA C 23 60.208 59.099 1.109 1
1 180 . 14 1 1 A 23 23 SER CB C 23 64.284 63.792 0.492 1
1 181 . 14 1 1 A 23 23 SER N N 23 115.507 115.450 0.057 1
1 182 . 14 1 1 A 24 24 ARG H H 24 7.696 7.945 -0.249 1
1 183 . 14 1 1 A 24 24 ARG HA H 24 4.727 4.551 0.176 1
1 190 . 14 1 1 A 24 24 ARG C C 24 176.245 175.847 0.398 1
1 191 . 14 1 1 A 24 24 ARG CA C 24 54.240 54.403 -0.163 1
1 192 . 14 1 1 A 24 24 ARG CB C 24 35.386 32.657 2.729 1
1 195 . 14 1 1 A 24 24 ARG N N 24 117.322 120.206 -2.884 1
1 196 . 14 1 1 A 25 25 LYS H H 25 8.456 7.924 0.532 1
1 197 . 14 1 1 A 25 25 LYS HA H 25 3.035 3.110 -0.075 1
1 206 . 14 1 1 A 25 25 LYS C C 25 177.886 177.665 0.221 1
1 207 . 14 1 1 A 25 25 LYS CA C 25 59.309 59.918 -0.609 1
1 208 . 14 1 1 A 25 25 LYS CB C 25 31.983 31.939 0.044 1
1 212 . 14 1 1 A 25 25 LYS N N 25 125.034 125.010 0.024 1
1 213 . 14 1 1 A 26 26 ASP H H 26 8.540 8.042 0.498 1
1 214 . 14 1 1 A 26 26 ASP HA H 26 4.142 4.196 -0.054 1
1 217 . 14 1 1 A 26 26 ASP C C 26 178.695 178.507 0.188 1
1 218 . 14 1 1 A 26 26 ASP CA C 26 56.780 57.418 -0.638 1
1 219 . 14 1 1 A 26 26 ASP CB C 26 39.330 40.902 -1.572 1
1 220 . 14 1 1 A 26 26 ASP N N 26 114.989 119.247 -4.258 1
1 221 . 14 1 1 A 27 27 GLN H H 27 6.981 8.053 -1.072 1
1 222 . 14 1 1 A 27 27 GLN HA H 27 3.987 3.918 0.069 1
1 229 . 14 1 1 A 27 27 GLN C C 27 178.473 177.994 0.479 1
1 230 . 14 1 1 A 27 27 GLN CA C 27 57.612 58.752 -1.140 1
1 231 . 14 1 1 A 27 27 GLN CB C 27 28.915 28.184 0.731 1
1 233 . 14 1 1 A 27 27 GLN N N 27 119.394 117.353 2.041 1
1 235 . 14 1 1 A 28 28 LEU H H 28 6.969 7.362 -0.393 1
1 236 . 14 1 1 A 28 28 LEU HA H 28 3.249 2.840 0.409 1
1 246 . 14 1 1 A 28 28 LEU C C 28 177.627 178.218 -0.591 1
1 247 . 14 1 1 A 28 28 LEU CA C 28 57.956 57.348 0.608 1
1 248 . 14 1 1 A 28 28 LEU CB C 28 40.568 41.343 -0.775 1
1 252 . 14 1 1 A 28 28 LEU N N 28 121.993 121.155 0.838 1
1 253 . 14 1 1 A 29 29 VAL H H 29 8.261 8.476 -0.215 1
1 254 . 14 1 1 A 29 29 VAL HA H 29 3.704 3.476 0.228 1
1 262 . 14 1 1 A 29 29 VAL C C 29 179.259 178.855 0.404 1
1 263 . 14 1 1 A 29 29 VAL CA C 29 66.532 66.775 -0.243 1
1 264 . 14 1 1 A 29 29 VAL CB C 29 31.765 31.343 0.422 1
1 267 . 14 1 1 A 29 29 VAL N N 29 119.585 119.276 0.309 1
1 268 . 14 1 1 A 30 30 SER H H 30 7.721 7.842 -0.121 1
1 269 . 14 1 1 A 30 30 SER HA H 30 4.104 4.202 -0.098 1
1 272 . 14 1 1 A 30 30 SER C C 30 177.207 176.146 1.061 1
1 273 . 14 1 1 A 30 30 SER CA C 30 61.647 61.453 0.194 1
1 274 . 14 1 1 A 30 30 SER CB C 30 62.575 63.089 -0.514 1
1 275 . 14 1 1 A 30 30 SER N N 30 113.762 115.540 -1.778 1
1 276 . 14 1 1 A 31 31 HIS H H 31 7.676 7.718 -0.042 1
1 277 . 14 1 1 A 31 31 HIS HA H 31 4.271 4.187 0.084 1
1 282 . 14 1 1 A 31 31 HIS C C 31 177.982 177.150 0.832 1
1 283 . 14 1 1 A 31 31 HIS CA C 31 59.051 59.020 0.031 1
1 284 . 14 1 1 A 31 31 HIS CB C 31 28.436 30.153 -1.717 1
1 287 . 14 1 1 A 31 31 HIS N N 31 120.492 121.272 -0.780 1
1 288 . 14 1 1 A 32 32 GLN H H 32 8.881 8.630 0.251 1
1 289 . 14 1 1 A 32 32 GLN HA H 32 3.718 3.871 -0.153 1
1 296 . 14 1 1 A 32 32 GLN C C 32 177.983 178.632 -0.649 1
1 297 . 14 1 1 A 32 32 GLN CA C 32 59.912 58.863 1.049 1
1 298 . 14 1 1 A 32 32 GLN CB C 32 28.124 28.329 -0.205 1
1 300 . 14 1 1 A 32 32 GLN N N 32 120.621 117.869 2.752 1
1 302 . 14 1 1 A 33 33 LYS H H 33 7.245 7.397 -0.152 1
1 303 . 14 1 1 A 33 33 LYS HA H 33 4.151 3.997 0.154 1
1 312 . 14 1 1 A 33 33 LYS C C 33 178.380 178.775 -0.395 1
1 313 . 14 1 1 A 33 33 LYS CA C 33 58.671 59.257 -0.586 1
1 314 . 14 1 1 A 33 33 LYS CB C 33 32.152 32.237 -0.085 1
1 318 . 14 1 1 A 33 33 LYS N N 33 117.710 120.642 -2.932 1
1 319 . 14 1 1 A 34 34 THR H H 34 7.753 7.994 -0.241 1
1 320 . 14 1 1 A 34 34 THR HA H 34 4.151 3.775 0.376 1
1 325 . 14 1 1 A 34 34 THR C C 34 175.449 175.967 -0.518 1
1 326 . 14 1 1 A 34 34 THR CA C 34 63.751 64.569 -0.818 1
1 327 . 14 1 1 A 34 34 THR CB C 34 69.354 68.876 0.478 1
1 329 . 14 1 1 A 34 34 THR N N 34 109.516 114.956 -5.440 1
1 330 . 14 1 1 A 35 35 HIS H H 35 7.153 7.219 -0.066 1
1 331 . 14 1 1 A 35 35 HIS HA H 35 4.874 4.614 0.260 1
1 336 . 14 1 1 A 35 35 HIS C C 35 175.240 174.599 0.641 1
1 337 . 14 1 1 A 35 35 HIS CA C 35 55.228 54.906 0.322 1
1 338 . 14 1 1 A 35 35 HIS CB C 35 28.899 28.192 0.707 1
1 341 . 14 1 1 A 35 35 HIS N N 35 118.672 116.965 1.707 1
1 342 . 14 1 1 A 36 36 SER H H 36 7.936 7.542 0.394 1
1 345 . 14 1 1 A 36 36 SER C C 36 175.155 173.341 1.814 1
1 346 . 14 1 1 A 36 36 SER CA C 36 58.865 57.765 1.100 1
1 347 . 14 1 1 A 36 36 SER CB C 36 63.926 65.802 -1.876 1
1 348 . 14 1 1 A 36 36 SER N N 36 115.177 113.505 1.672 1
1 349 . 14 1 1 A 37 37 GLY HA2 H 37 4.000 4.247 -0.247 1
1 350 . 14 1 1 A 37 37 GLY HA3 H 37 3.924 4.247 -0.323 1
1 351 . 14 1 1 A 37 37 GLY C C 37 174.151 171.076 3.075 1
1 352 . 14 1 1 A 37 37 GLY CA C 37 45.327 46.320 -0.993 1
1 353 . 14 1 1 A 38 38 GLN H H 38 8.214 8.719 -0.505 1
1 354 . 14 1 1 A 38 38 GLN HA H 38 4.419 5.061 -0.642 1
1 360 . 14 1 1 A 38 38 GLN C C 38 176.047 173.799 2.248 1
1 361 . 14 1 1 A 38 38 GLN CA C 38 55.808 54.776 1.032 1
1 362 . 14 1 1 A 38 38 GLN CB C 38 29.587 31.753 -2.166 1
1 364 . 14 1 1 A 38 38 GLN N N 38 119.770 124.240 -4.470 1
1 366 . 14 1 1 A 39 39 SER H H 39 8.420 8.818 -0.398 1
1 367 . 14 1 1 A 39 39 SER HA H 39 4.510 5.182 -0.672 1
1 370 . 14 1 1 A 39 39 SER C C 39 174.504 173.164 1.340 1
1 371 . 14 1 1 A 39 39 SER CA C 39 58.371 56.529 1.842 1
1 372 . 14 1 1 A 39 39 SER CB C 39 64.007 65.711 -1.704 1
1 373 . 14 1 1 A 39 39 SER N N 39 117.120 121.813 -4.693 1
1 374 . 14 1 1 A 40 40 GLY H H 40 8.269 8.307 -0.038 1
1 375 . 14 1 1 A 40 40 GLY HA2 H 40 4.108 4.183 -0.075 1
1 376 . 14 1 1 A 40 40 GLY HA3 H 40 4.182 4.183 -0.001 1
1 377 . 14 1 1 A 40 40 GLY C C 40 171.768 174.059 -2.291 1
1 378 . 14 1 1 A 40 40 GLY CA C 40 44.645 45.989 -1.344 1
1 379 . 14 1 1 A 40 40 GLY N N 40 110.759 113.542 -2.783 1
1 380 . 14 1 1 A 41 41 PRO HA H 41 4.490 4.336 0.154 1
1 387 . 14 1 1 A 41 41 PRO C C 41 177.377 178.147 -0.770 1
1 388 . 14 1 1 A 41 41 PRO CA C 41 63.244 65.328 -2.084 1
1 389 . 14 1 1 A 41 41 PRO CB C 41 32.185 31.331 0.854 1
1 392 . 14 1 1 A 42 42 SER H H 42 8.514 8.282 0.232 1
1 393 . 14 1 1 A 42 42 SER C C 42 174.655 176.502 -1.847 1
1 394 . 14 1 1 A 42 42 SER CA C 42 58.447 61.378 -2.931 1
1 395 . 14 1 1 A 42 42 SER CB C 42 64.027 62.241 1.786 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 4.008 3.968 0.040 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.008 3.969 0.039 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.487 172.186 2.301 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.536 45.319 0.217 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.161 8.605 -0.444 1
1 6 . 15 1 1 A 8 8 THR HA H 8 4.393 5.064 -0.671 1
1 11 . 15 1 1 A 8 8 THR C C 8 175.248 173.261 1.987 1
1 12 . 15 1 1 A 8 8 THR CA C 8 61.821 59.814 2.007 1
1 13 . 15 1 1 A 8 8 THR CB C 8 69.873 71.799 -1.926 1
1 15 . 15 1 1 A 8 8 THR N N 8 112.733 117.786 -5.053 1
1 16 . 15 1 1 A 9 9 GLY H H 9 8.469 8.361 0.108 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 4.008 4.152 -0.144 1
1 18 . 15 1 1 A 9 9 GLY HA3 H 9 4.008 4.153 -0.145 1
1 19 . 15 1 1 A 9 9 GLY C C 9 174.052 172.728 1.324 1
1 20 . 15 1 1 A 9 9 GLY CA C 9 45.528 44.176 1.352 1
1 21 . 15 1 1 A 9 9 GLY N N 9 111.035 114.989 -3.954 1
1 22 . 15 1 1 A 10 10 GLU H H 10 8.214 8.438 -0.224 1
1 23 . 15 1 1 A 10 10 GLU HA H 10 4.246 4.401 -0.155 1
1 28 . 15 1 1 A 10 10 GLU C C 10 175.942 175.928 0.014 1
1 29 . 15 1 1 A 10 10 GLU CA C 10 56.603 56.119 0.484 1
1 30 . 15 1 1 A 10 10 GLU CB C 10 30.592 29.625 0.967 1
1 32 . 15 1 1 A 10 10 GLU N N 10 119.967 120.395 -0.428 1
1 33 . 15 1 1 A 11 11 ASN H H 11 8.407 7.998 0.409 1
1 34 . 15 1 1 A 11 11 ASN HA H 11 4.947 5.150 -0.203 1
1 39 . 15 1 1 A 11 11 ASN C C 11 172.759 174.627 -1.868 1
1 40 . 15 1 1 A 11 11 ASN CA C 11 51.229 50.678 0.551 1
1 41 . 15 1 1 A 11 11 ASN CB C 11 39.486 38.672 0.814 1
1 42 . 15 1 1 A 11 11 ASN N N 11 119.687 121.677 -1.990 1
1 44 . 15 1 1 A 12 12 PRO HA H 12 4.295 4.411 -0.116 1
1 51 . 15 1 1 A 12 12 PRO C C 12 176.280 175.718 0.562 1
1 52 . 15 1 1 A 12 12 PRO CA C 12 63.512 64.071 -0.559 1
1 53 . 15 1 1 A 12 12 PRO CB C 12 32.183 31.360 0.823 1
1 56 . 15 1 1 A 13 13 TYR H H 13 8.160 7.436 0.724 1
1 57 . 15 1 1 A 13 13 TYR HA H 13 4.694 5.079 -0.385 1
1 64 . 15 1 1 A 13 13 TYR C C 13 173.960 174.196 -0.236 1
1 65 . 15 1 1 A 13 13 TYR CA C 13 56.912 56.571 0.341 1
1 66 . 15 1 1 A 13 13 TYR CB C 13 38.357 39.511 -1.154 1
1 71 . 15 1 1 A 13 13 TYR N N 13 118.775 118.897 -0.122 1
1 72 . 15 1 1 A 14 14 GLU H H 14 8.335 9.077 -0.742 1
1 73 . 15 1 1 A 14 14 GLU HA H 14 5.017 5.315 -0.298 1
1 78 . 15 1 1 A 14 14 GLU C C 14 175.182 175.606 -0.424 1
1 79 . 15 1 1 A 14 14 GLU CA C 14 54.455 54.855 -0.400 1
1 80 . 15 1 1 A 14 14 GLU CB C 14 33.214 32.459 0.755 1
1 82 . 15 1 1 A 14 14 GLU N N 14 123.792 126.114 -2.322 1
1 83 . 15 1 1 A 15 15 CYS H H 15 9.398 8.665 0.733 1
1 84 . 15 1 1 A 15 15 CYS HA H 15 4.648 4.487 0.161 1
1 87 . 15 1 1 A 15 15 CYS C C 15 177.220 175.737 1.483 1
1 88 . 15 1 1 A 15 15 CYS CA C 15 59.337 60.164 -0.827 1
1 89 . 15 1 1 A 15 15 CYS CB C 15 29.644 29.056 0.588 1
1 90 . 15 1 1 A 15 15 CYS N N 15 127.444 126.108 1.336 1
1 91 . 15 1 1 A 16 16 CYS H H 16 9.319 9.102 0.217 1
1 92 . 15 1 1 A 16 16 CYS HA H 16 4.475 4.146 0.329 1
1 95 . 15 1 1 A 16 16 CYS C C 16 174.596 176.825 -2.229 1
1 96 . 15 1 1 A 16 16 CYS CA C 16 60.515 62.056 -1.541 1
1 97 . 15 1 1 A 16 16 CYS CB C 16 27.201 27.185 0.016 1
1 98 . 15 1 1 A 16 16 CYS N N 16 130.435 127.133 3.302 1
1 99 . 15 1 1 A 17 17 GLU H H 17 8.688 8.115 0.573 1
1 100 . 15 1 1 A 17 17 GLU HA H 17 4.287 3.908 0.379 1
1 105 . 15 1 1 A 17 17 GLU C C 17 177.134 178.063 -0.929 1
1 106 . 15 1 1 A 17 17 GLU CA C 17 58.287 59.512 -1.225 1
1 107 . 15 1 1 A 17 17 GLU CB C 17 29.747 28.843 0.904 1
1 109 . 15 1 1 A 17 17 GLU N N 17 122.479 120.408 2.071 1
1 110 . 15 1 1 A 18 18 CYS H H 18 7.912 7.735 0.177 1
1 111 . 15 1 1 A 18 18 CYS HA H 18 5.182 4.532 0.650 1
1 114 . 15 1 1 A 18 18 CYS C C 18 176.224 175.222 1.002 1
1 115 . 15 1 1 A 18 18 CYS CA C 18 58.452 59.566 -1.114 1
1 116 . 15 1 1 A 18 18 CYS CB C 18 32.577 29.510 3.067 1
1 117 . 15 1 1 A 18 18 CYS N N 18 114.583 114.727 -0.144 1
1 118 . 15 1 1 A 19 19 GLY H H 19 8.302 8.180 0.122 1
1 119 . 15 1 1 A 19 19 GLY HA2 H 19 3.918 4.055 -0.137 1
1 120 . 15 1 1 A 19 19 GLY HA3 H 19 4.235 4.067 0.168 1
1 121 . 15 1 1 A 19 19 GLY C C 19 173.879 174.163 -0.284 1
1 122 . 15 1 1 A 19 19 GLY CA C 19 46.133 45.383 0.750 1
1 123 . 15 1 1 A 19 19 GLY N N 19 113.493 110.272 3.221 1
1 124 . 15 1 1 A 20 20 LYS H H 20 7.918 7.511 0.407 1
1 125 . 15 1 1 A 20 20 LYS HA H 20 4.006 4.715 -0.709 1
1 134 . 15 1 1 A 20 20 LYS C C 20 174.253 175.637 -1.384 1
1 135 . 15 1 1 A 20 20 LYS CA C 20 58.177 54.884 3.293 1
1 136 . 15 1 1 A 20 20 LYS CB C 20 33.916 34.655 -0.739 1
1 140 . 15 1 1 A 20 20 LYS N N 20 122.419 119.082 3.337 1
1 141 . 15 1 1 A 21 21 VAL H H 21 7.565 8.295 -0.730 1
1 142 . 15 1 1 A 21 21 VAL HA H 21 4.798 5.250 -0.452 1
1 150 . 15 1 1 A 21 21 VAL C C 21 175.151 174.569 0.582 1
1 151 . 15 1 1 A 21 21 VAL CA C 21 60.194 60.260 -0.066 1
1 152 . 15 1 1 A 21 21 VAL CB C 21 34.074 35.888 -1.814 1
1 155 . 15 1 1 A 21 21 VAL N N 21 116.838 119.489 -2.651 1
1 156 . 15 1 1 A 22 22 PHE H H 22 8.603 8.776 -0.173 1
1 157 . 15 1 1 A 22 22 PHE HA H 22 4.787 4.974 -0.187 1
1 165 . 15 1 1 A 22 22 PHE C C 22 175.198 175.868 -0.670 1
1 166 . 15 1 1 A 22 22 PHE CA C 22 56.970 56.807 0.163 1
1 167 . 15 1 1 A 22 22 PHE CB C 22 43.313 43.489 -0.176 1
1 173 . 15 1 1 A 22 22 PHE N N 22 121.088 123.417 -2.329 1
1 174 . 15 1 1 A 23 23 SER H H 23 8.908 8.891 0.017 1
1 175 . 15 1 1 A 23 23 SER HA H 23 4.678 4.650 0.028 1
1 178 . 15 1 1 A 23 23 SER C C 23 174.535 174.868 -0.333 1
1 179 . 15 1 1 A 23 23 SER CA C 23 60.208 60.818 -0.610 1
1 180 . 15 1 1 A 23 23 SER CB C 23 64.284 64.154 0.130 1
1 181 . 15 1 1 A 23 23 SER N N 23 115.507 116.144 -0.637 1
1 182 . 15 1 1 A 24 24 ARG H H 24 7.696 7.993 -0.297 1
1 183 . 15 1 1 A 24 24 ARG HA H 24 4.727 4.681 0.046 1
1 190 . 15 1 1 A 24 24 ARG C C 24 176.245 175.946 0.299 1
1 191 . 15 1 1 A 24 24 ARG CA C 24 54.240 54.395 -0.155 1
1 192 . 15 1 1 A 24 24 ARG CB C 24 35.386 32.368 3.018 1
1 195 . 15 1 1 A 24 24 ARG N N 24 117.322 119.419 -2.097 1
1 196 . 15 1 1 A 25 25 LYS H H 25 8.456 7.812 0.644 1
1 197 . 15 1 1 A 25 25 LYS HA H 25 3.035 3.042 -0.007 1
1 206 . 15 1 1 A 25 25 LYS C C 25 177.886 177.551 0.335 1
1 207 . 15 1 1 A 25 25 LYS CA C 25 59.309 59.719 -0.410 1
1 208 . 15 1 1 A 25 25 LYS CB C 25 31.983 31.811 0.172 1
1 212 . 15 1 1 A 25 25 LYS N N 25 125.034 125.541 -0.507 1
1 213 . 15 1 1 A 26 26 ASP H H 26 8.540 8.190 0.350 1
1 214 . 15 1 1 A 26 26 ASP HA H 26 4.142 4.180 -0.038 1
1 217 . 15 1 1 A 26 26 ASP C C 26 178.695 178.705 -0.010 1
1 218 . 15 1 1 A 26 26 ASP CA C 26 56.780 57.319 -0.539 1
1 219 . 15 1 1 A 26 26 ASP CB C 26 39.330 40.117 -0.787 1
1 220 . 15 1 1 A 26 26 ASP N N 26 114.989 119.028 -4.039 1
1 221 . 15 1 1 A 27 27 GLN H H 27 6.981 8.308 -1.327 1
1 222 . 15 1 1 A 27 27 GLN HA H 27 3.987 4.120 -0.133 1
1 229 . 15 1 1 A 27 27 GLN C C 27 178.473 178.083 0.390 1
1 230 . 15 1 1 A 27 27 GLN CA C 27 57.612 58.828 -1.216 1
1 231 . 15 1 1 A 27 27 GLN CB C 27 28.915 28.645 0.270 1
1 233 . 15 1 1 A 27 27 GLN N N 27 119.394 118.127 1.267 1
1 235 . 15 1 1 A 28 28 LEU H H 28 6.969 7.733 -0.764 1
1 236 . 15 1 1 A 28 28 LEU HA H 28 3.249 2.609 0.640 1
1 246 . 15 1 1 A 28 28 LEU C C 28 177.627 178.419 -0.792 1
1 247 . 15 1 1 A 28 28 LEU CA C 28 57.956 57.229 0.727 1
1 248 . 15 1 1 A 28 28 LEU CB C 28 40.568 41.280 -0.712 1
1 252 . 15 1 1 A 28 28 LEU N N 28 121.993 121.697 0.296 1
1 253 . 15 1 1 A 29 29 VAL H H 29 8.261 7.890 0.371 1
1 254 . 15 1 1 A 29 29 VAL HA H 29 3.704 3.409 0.295 1
1 262 . 15 1 1 A 29 29 VAL C C 29 179.259 178.248 1.011 1
1 263 . 15 1 1 A 29 29 VAL CA C 29 66.532 66.930 -0.398 1
1 264 . 15 1 1 A 29 29 VAL CB C 29 31.765 31.473 0.292 1
1 267 . 15 1 1 A 29 29 VAL N N 29 119.585 119.859 -0.274 1
1 268 . 15 1 1 A 30 30 SER H H 30 7.721 8.189 -0.468 1
1 269 . 15 1 1 A 30 30 SER HA H 30 4.104 4.199 -0.095 1
1 272 . 15 1 1 A 30 30 SER C C 30 177.207 176.715 0.492 1
1 273 . 15 1 1 A 30 30 SER CA C 30 61.647 61.601 0.046 1
1 274 . 15 1 1 A 30 30 SER CB C 30 62.575 62.326 0.249 1
1 275 . 15 1 1 A 30 30 SER N N 30 113.762 113.874 -0.112 1
1 276 . 15 1 1 A 31 31 HIS H H 31 7.676 7.353 0.323 1
1 277 . 15 1 1 A 31 31 HIS HA H 31 4.271 4.277 -0.006 1
1 282 . 15 1 1 A 31 31 HIS C C 31 177.982 176.516 1.466 1
1 283 . 15 1 1 A 31 31 HIS CA C 31 59.051 59.496 -0.445 1
1 284 . 15 1 1 A 31 31 HIS CB C 31 28.436 30.047 -1.611 1
1 287 . 15 1 1 A 31 31 HIS N N 31 120.492 121.892 -1.400 1
1 288 . 15 1 1 A 32 32 GLN H H 32 8.881 8.587 0.294 1
1 289 . 15 1 1 A 32 32 GLN HA H 32 3.718 3.827 -0.109 1
1 296 . 15 1 1 A 32 32 GLN C C 32 177.983 178.540 -0.557 1
1 297 . 15 1 1 A 32 32 GLN CA C 32 59.912 59.226 0.686 1
1 298 . 15 1 1 A 32 32 GLN CB C 32 28.124 28.161 -0.037 1
1 300 . 15 1 1 A 32 32 GLN N N 32 120.621 116.907 3.714 1
1 302 . 15 1 1 A 33 33 LYS H H 33 7.245 7.748 -0.503 1
1 303 . 15 1 1 A 33 33 LYS HA H 33 4.151 3.910 0.241 1
1 312 . 15 1 1 A 33 33 LYS C C 33 178.380 178.342 0.038 1
1 313 . 15 1 1 A 33 33 LYS CA C 33 58.671 59.457 -0.786 1
1 314 . 15 1 1 A 33 33 LYS CB C 33 32.152 32.421 -0.269 1
1 318 . 15 1 1 A 33 33 LYS N N 33 117.710 119.346 -1.636 1
1 319 . 15 1 1 A 34 34 THR H H 34 7.753 8.351 -0.598 1
1 320 . 15 1 1 A 34 34 THR HA H 34 4.151 3.936 0.215 1
1 325 . 15 1 1 A 34 34 THR C C 34 175.449 175.332 0.117 1
1 326 . 15 1 1 A 34 34 THR CA C 34 63.751 65.224 -1.473 1
1 327 . 15 1 1 A 34 34 THR CB C 34 69.354 67.830 1.524 1
1 329 . 15 1 1 A 34 34 THR N N 34 109.516 112.491 -2.975 1
1 330 . 15 1 1 A 35 35 HIS H H 35 7.153 7.885 -0.732 1
1 331 . 15 1 1 A 35 35 HIS HA H 35 4.874 4.520 0.354 1
1 336 . 15 1 1 A 35 35 HIS C C 35 175.240 174.969 0.271 1
1 337 . 15 1 1 A 35 35 HIS CA C 35 55.228 56.571 -1.343 1
1 338 . 15 1 1 A 35 35 HIS CB C 35 28.899 30.274 -1.375 1
1 341 . 15 1 1 A 35 35 HIS N N 35 118.672 120.443 -1.771 1
1 342 . 15 1 1 A 36 36 SER H H 36 7.936 8.567 -0.631 1
1 345 . 15 1 1 A 36 36 SER C C 36 175.155 175.030 0.125 1
1 346 . 15 1 1 A 36 36 SER CA C 36 58.865 56.776 2.089 1
1 347 . 15 1 1 A 36 36 SER CB C 36 63.926 65.766 -1.840 1
1 348 . 15 1 1 A 36 36 SER N N 36 115.177 113.402 1.775 1
1 349 . 15 1 1 A 37 37 GLY HA2 H 37 4.000 4.014 -0.014 1
1 350 . 15 1 1 A 37 37 GLY HA3 H 37 3.924 4.015 -0.091 1
1 351 . 15 1 1 A 37 37 GLY C C 37 174.151 172.081 2.070 1
1 352 . 15 1 1 A 37 37 GLY CA C 37 45.327 45.486 -0.159 1
1 353 . 15 1 1 A 38 38 GLN H H 38 8.214 8.379 -0.165 1
1 354 . 15 1 1 A 38 38 GLN HA H 38 4.419 4.897 -0.478 1
1 360 . 15 1 1 A 38 38 GLN C C 38 176.047 175.766 0.281 1
1 361 . 15 1 1 A 38 38 GLN CA C 38 55.808 54.530 1.278 1
1 362 . 15 1 1 A 38 38 GLN CB C 38 29.587 31.731 -2.144 1
1 364 . 15 1 1 A 38 38 GLN N N 38 119.770 123.103 -3.333 1
1 366 . 15 1 1 A 39 39 SER H H 39 8.420 8.858 -0.438 1
1 367 . 15 1 1 A 39 39 SER HA H 39 4.510 4.418 0.092 1
1 370 . 15 1 1 A 39 39 SER C C 39 174.504 173.484 1.020 1
1 371 . 15 1 1 A 39 39 SER CA C 39 58.371 60.146 -1.775 1
1 372 . 15 1 1 A 39 39 SER CB C 39 64.007 63.333 0.674 1
1 373 . 15 1 1 A 39 39 SER N N 39 117.120 121.608 -4.488 1
1 374 . 15 1 1 A 40 40 GLY H H 40 8.269 7.841 0.428 1
1 375 . 15 1 1 A 40 40 GLY HA2 H 40 4.108 4.251 -0.143 1
1 376 . 15 1 1 A 40 40 GLY HA3 H 40 4.182 4.252 -0.070 1
1 377 . 15 1 1 A 40 40 GLY C C 40 171.768 172.276 -0.508 1
1 378 . 15 1 1 A 40 40 GLY CA C 40 44.645 44.254 0.391 1
1 379 . 15 1 1 A 40 40 GLY N N 40 110.759 107.342 3.417 1
1 380 . 15 1 1 A 41 41 PRO HA H 41 4.490 4.560 -0.070 1
1 387 . 15 1 1 A 41 41 PRO C C 41 177.377 177.272 0.105 1
1 388 . 15 1 1 A 41 41 PRO CA C 41 63.244 62.743 0.501 1
1 389 . 15 1 1 A 41 41 PRO CB C 41 32.185 31.772 0.413 1
1 392 . 15 1 1 A 42 42 SER H H 42 8.514 8.509 0.005 1
1 393 . 15 1 1 A 42 42 SER C C 42 174.655 174.671 -0.016 1
1 394 . 15 1 1 A 42 42 SER CA C 42 58.447 59.171 -0.724 1
1 395 . 15 1 1 A 42 42 SER CB C 42 64.027 63.570 0.457 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 4.008 4.078 -0.070 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.008 4.079 -0.071 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.487 172.567 1.920 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.536 44.510 1.026 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.161 8.394 -0.233 1
1 6 . 16 1 1 A 8 8 THR HA H 8 4.393 5.162 -0.769 1
1 11 . 16 1 1 A 8 8 THR C C 8 175.248 173.249 1.999 1
1 12 . 16 1 1 A 8 8 THR CA C 8 61.821 59.764 2.057 1
1 13 . 16 1 1 A 8 8 THR CB C 8 69.873 71.272 -1.399 1
1 15 . 16 1 1 A 8 8 THR N N 8 112.733 111.294 1.439 1
1 16 . 16 1 1 A 9 9 GLY H H 9 8.469 8.481 -0.012 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 4.008 4.186 -0.178 1
1 18 . 16 1 1 A 9 9 GLY HA3 H 9 4.008 4.187 -0.179 1
1 19 . 16 1 1 A 9 9 GLY C C 9 174.052 173.255 0.797 1
1 20 . 16 1 1 A 9 9 GLY CA C 9 45.528 45.282 0.246 1
1 21 . 16 1 1 A 9 9 GLY N N 9 111.035 109.632 1.403 1
1 22 . 16 1 1 A 10 10 GLU H H 10 8.214 8.695 -0.481 1
1 23 . 16 1 1 A 10 10 GLU HA H 10 4.246 4.647 -0.401 1
1 28 . 16 1 1 A 10 10 GLU C C 10 175.942 175.481 0.461 1
1 29 . 16 1 1 A 10 10 GLU CA C 10 56.603 55.291 1.312 1
1 30 . 16 1 1 A 10 10 GLU CB C 10 30.592 29.340 1.252 1
1 32 . 16 1 1 A 10 10 GLU N N 10 119.967 124.262 -4.295 1
1 33 . 16 1 1 A 11 11 ASN H H 11 8.407 8.798 -0.391 1
1 34 . 16 1 1 A 11 11 ASN HA H 11 4.947 4.837 0.110 1
1 39 . 16 1 1 A 11 11 ASN C C 11 172.759 174.991 -2.232 1
1 40 . 16 1 1 A 11 11 ASN CA C 11 51.229 51.797 -0.568 1
1 41 . 16 1 1 A 11 11 ASN CB C 11 39.486 37.802 1.684 1
1 42 . 16 1 1 A 11 11 ASN N N 11 119.687 123.700 -4.013 1
1 44 . 16 1 1 A 12 12 PRO HA H 12 4.295 4.316 -0.021 1
1 51 . 16 1 1 A 12 12 PRO C C 12 176.280 175.639 0.641 1
1 52 . 16 1 1 A 12 12 PRO CA C 12 63.512 63.958 -0.446 1
1 53 . 16 1 1 A 12 12 PRO CB C 12 32.183 31.073 1.110 1
1 56 . 16 1 1 A 13 13 TYR H H 13 8.160 7.419 0.741 1
1 57 . 16 1 1 A 13 13 TYR HA H 13 4.694 5.127 -0.433 1
1 64 . 16 1 1 A 13 13 TYR C C 13 173.960 174.207 -0.247 1
1 65 . 16 1 1 A 13 13 TYR CA C 13 56.912 56.494 0.418 1
1 66 . 16 1 1 A 13 13 TYR CB C 13 38.357 39.546 -1.189 1
1 71 . 16 1 1 A 13 13 TYR N N 13 118.775 118.830 -0.055 1
1 72 . 16 1 1 A 14 14 GLU H H 14 8.335 9.096 -0.761 1
1 73 . 16 1 1 A 14 14 GLU HA H 14 5.017 4.996 0.021 1
1 78 . 16 1 1 A 14 14 GLU C C 14 175.182 175.550 -0.368 1
1 79 . 16 1 1 A 14 14 GLU CA C 14 54.455 55.067 -0.612 1
1 80 . 16 1 1 A 14 14 GLU CB C 14 33.214 31.868 1.346 1
1 82 . 16 1 1 A 14 14 GLU N N 14 123.792 126.209 -2.417 1
1 83 . 16 1 1 A 15 15 CYS H H 15 9.398 8.891 0.507 1
1 84 . 16 1 1 A 15 15 CYS HA H 15 4.648 4.340 0.308 1
1 87 . 16 1 1 A 15 15 CYS C C 15 177.220 174.981 2.239 1
1 88 . 16 1 1 A 15 15 CYS CA C 15 59.337 60.103 -0.766 1
1 89 . 16 1 1 A 15 15 CYS CB C 15 29.644 28.908 0.736 1
1 90 . 16 1 1 A 15 15 CYS N N 15 127.444 126.179 1.265 1
1 91 . 16 1 1 A 16 16 CYS H H 16 9.319 8.990 0.329 1
1 92 . 16 1 1 A 16 16 CYS HA H 16 4.475 4.417 0.058 1
1 95 . 16 1 1 A 16 16 CYS C C 16 174.596 176.763 -2.167 1
1 96 . 16 1 1 A 16 16 CYS CA C 16 60.515 60.451 0.064 1
1 97 . 16 1 1 A 16 16 CYS CB C 16 27.201 28.013 -0.812 1
1 98 . 16 1 1 A 16 16 CYS N N 16 130.435 125.566 4.869 1
1 99 . 16 1 1 A 17 17 GLU H H 17 8.688 8.308 0.380 1
1 100 . 16 1 1 A 17 17 GLU HA H 17 4.287 3.934 0.353 1
1 105 . 16 1 1 A 17 17 GLU C C 17 177.134 178.031 -0.897 1
1 106 . 16 1 1 A 17 17 GLU CA C 17 58.287 59.359 -1.072 1
1 107 . 16 1 1 A 17 17 GLU CB C 17 29.747 28.711 1.036 1
1 109 . 16 1 1 A 17 17 GLU N N 17 122.479 120.695 1.784 1
1 110 . 16 1 1 A 18 18 CYS H H 18 7.912 7.418 0.494 1
1 111 . 16 1 1 A 18 18 CYS HA H 18 5.182 4.592 0.590 1
1 114 . 16 1 1 A 18 18 CYS C C 18 176.224 175.282 0.942 1
1 115 . 16 1 1 A 18 18 CYS CA C 18 58.452 59.598 -1.146 1
1 116 . 16 1 1 A 18 18 CYS CB C 18 32.577 29.606 2.971 1
1 117 . 16 1 1 A 18 18 CYS N N 18 114.583 114.905 -0.322 1
1 118 . 16 1 1 A 19 19 GLY H H 19 8.302 8.182 0.120 1
1 119 . 16 1 1 A 19 19 GLY HA2 H 19 3.918 4.070 -0.152 1
1 120 . 16 1 1 A 19 19 GLY HA3 H 19 4.235 4.090 0.145 1
1 121 . 16 1 1 A 19 19 GLY C C 19 173.879 174.416 -0.537 1
1 122 . 16 1 1 A 19 19 GLY CA C 19 46.133 45.260 0.873 1
1 123 . 16 1 1 A 19 19 GLY N N 19 113.493 110.317 3.176 1
1 124 . 16 1 1 A 20 20 LYS H H 20 7.918 7.937 -0.019 1
1 125 . 16 1 1 A 20 20 LYS HA H 20 4.006 4.586 -0.580 1
1 134 . 16 1 1 A 20 20 LYS C C 20 174.253 175.336 -1.083 1
1 135 . 16 1 1 A 20 20 LYS CA C 20 58.177 54.954 3.223 1
1 136 . 16 1 1 A 20 20 LYS CB C 20 33.916 34.168 -0.252 1
1 140 . 16 1 1 A 20 20 LYS N N 20 122.419 121.512 0.907 1
1 141 . 16 1 1 A 21 21 VAL H H 21 7.565 8.445 -0.880 1
1 142 . 16 1 1 A 21 21 VAL HA H 21 4.798 5.011 -0.213 1
1 150 . 16 1 1 A 21 21 VAL C C 21 175.151 174.638 0.513 1
1 151 . 16 1 1 A 21 21 VAL CA C 21 60.194 60.697 -0.503 1
1 152 . 16 1 1 A 21 21 VAL CB C 21 34.074 34.093 -0.019 1
1 155 . 16 1 1 A 21 21 VAL N N 21 116.838 125.024 -8.186 1
1 156 . 16 1 1 A 22 22 PHE H H 22 8.603 8.437 0.166 1
1 157 . 16 1 1 A 22 22 PHE HA H 22 4.787 5.003 -0.216 1
1 165 . 16 1 1 A 22 22 PHE C C 22 175.198 175.603 -0.405 1
1 166 . 16 1 1 A 22 22 PHE CA C 22 56.970 56.449 0.521 1
1 167 . 16 1 1 A 22 22 PHE CB C 22 43.313 44.240 -0.927 1
1 173 . 16 1 1 A 22 22 PHE N N 22 121.088 122.879 -1.791 1
1 174 . 16 1 1 A 23 23 SER H H 23 8.908 9.199 -0.291 1
1 175 . 16 1 1 A 23 23 SER HA H 23 4.678 4.659 0.019 1
1 178 . 16 1 1 A 23 23 SER C C 23 174.535 173.272 1.263 1
1 179 . 16 1 1 A 23 23 SER CA C 23 60.208 59.961 0.247 1
1 180 . 16 1 1 A 23 23 SER CB C 23 64.284 64.379 -0.095 1
1 181 . 16 1 1 A 23 23 SER N N 23 115.507 116.924 -1.417 1
1 182 . 16 1 1 A 24 24 ARG H H 24 7.696 7.993 -0.297 1
1 183 . 16 1 1 A 24 24 ARG HA H 24 4.727 4.773 -0.046 1
1 190 . 16 1 1 A 24 24 ARG C C 24 176.245 175.917 0.328 1
1 191 . 16 1 1 A 24 24 ARG CA C 24 54.240 54.507 -0.267 1
1 192 . 16 1 1 A 24 24 ARG CB C 24 35.386 32.768 2.618 1
1 195 . 16 1 1 A 24 24 ARG N N 24 117.322 118.908 -1.586 1
1 196 . 16 1 1 A 25 25 LYS H H 25 8.456 8.243 0.213 1
1 197 . 16 1 1 A 25 25 LYS HA H 25 3.035 2.971 0.064 1
1 206 . 16 1 1 A 25 25 LYS C C 25 177.886 177.591 0.295 1
1 207 . 16 1 1 A 25 25 LYS CA C 25 59.309 59.811 -0.502 1
1 208 . 16 1 1 A 25 25 LYS CB C 25 31.983 31.573 0.410 1
1 212 . 16 1 1 A 25 25 LYS N N 25 125.034 125.011 0.023 1
1 213 . 16 1 1 A 26 26 ASP H H 26 8.540 8.173 0.367 1
1 214 . 16 1 1 A 26 26 ASP HA H 26 4.142 4.168 -0.026 1
1 217 . 16 1 1 A 26 26 ASP C C 26 178.695 178.557 0.138 1
1 218 . 16 1 1 A 26 26 ASP CA C 26 56.780 57.309 -0.529 1
1 219 . 16 1 1 A 26 26 ASP CB C 26 39.330 40.167 -0.837 1
1 220 . 16 1 1 A 26 26 ASP N N 26 114.989 118.985 -3.996 1
1 221 . 16 1 1 A 27 27 GLN H H 27 6.981 8.055 -1.074 1
1 222 . 16 1 1 A 27 27 GLN HA H 27 3.987 3.982 0.005 1
1 229 . 16 1 1 A 27 27 GLN C C 27 178.473 178.209 0.264 1
1 230 . 16 1 1 A 27 27 GLN CA C 27 57.612 58.814 -1.202 1
1 231 . 16 1 1 A 27 27 GLN CB C 27 28.915 28.497 0.418 1
1 233 . 16 1 1 A 27 27 GLN N N 27 119.394 118.090 1.304 1
1 235 . 16 1 1 A 28 28 LEU H H 28 6.969 7.440 -0.471 1
1 236 . 16 1 1 A 28 28 LEU HA H 28 3.249 2.800 0.449 1
1 246 . 16 1 1 A 28 28 LEU C C 28 177.627 178.461 -0.834 1
1 247 . 16 1 1 A 28 28 LEU CA C 28 57.956 57.478 0.478 1
1 248 . 16 1 1 A 28 28 LEU CB C 28 40.568 41.257 -0.689 1
1 252 . 16 1 1 A 28 28 LEU N N 28 121.993 121.582 0.411 1
1 253 . 16 1 1 A 29 29 VAL H H 29 8.261 7.972 0.289 1
1 254 . 16 1 1 A 29 29 VAL HA H 29 3.704 3.533 0.171 1
1 262 . 16 1 1 A 29 29 VAL C C 29 179.259 178.103 1.156 1
1 263 . 16 1 1 A 29 29 VAL CA C 29 66.532 66.952 -0.420 1
1 264 . 16 1 1 A 29 29 VAL CB C 29 31.765 31.420 0.345 1
1 267 . 16 1 1 A 29 29 VAL N N 29 119.585 119.805 -0.220 1
1 268 . 16 1 1 A 30 30 SER H H 30 7.721 7.716 0.005 1
1 269 . 16 1 1 A 30 30 SER HA H 30 4.104 4.031 0.073 1
1 272 . 16 1 1 A 30 30 SER C C 30 177.207 177.013 0.194 1
1 273 . 16 1 1 A 30 30 SER CA C 30 61.647 61.300 0.347 1
1 274 . 16 1 1 A 30 30 SER CB C 30 62.575 63.090 -0.515 1
1 275 . 16 1 1 A 30 30 SER N N 30 113.762 114.944 -1.182 1
1 276 . 16 1 1 A 31 31 HIS H H 31 7.676 7.440 0.236 1
1 277 . 16 1 1 A 31 31 HIS HA H 31 4.271 4.226 0.045 1
1 282 . 16 1 1 A 31 31 HIS C C 31 177.982 176.509 1.473 1
1 283 . 16 1 1 A 31 31 HIS CA C 31 59.051 59.593 -0.542 1
1 284 . 16 1 1 A 31 31 HIS CB C 31 28.436 29.792 -1.356 1
1 287 . 16 1 1 A 31 31 HIS N N 31 120.492 120.862 -0.370 1
1 288 . 16 1 1 A 32 32 GLN H H 32 8.881 8.515 0.366 1
1 289 . 16 1 1 A 32 32 GLN HA H 32 3.718 3.618 0.100 1
1 296 . 16 1 1 A 32 32 GLN C C 32 177.983 178.377 -0.394 1
1 297 . 16 1 1 A 32 32 GLN CA C 32 59.912 59.002 0.910 1
1 298 . 16 1 1 A 32 32 GLN CB C 32 28.124 28.210 -0.086 1
1 300 . 16 1 1 A 32 32 GLN N N 32 120.621 117.198 3.423 1
1 302 . 16 1 1 A 33 33 LYS H H 33 7.245 7.633 -0.388 1
1 303 . 16 1 1 A 33 33 LYS HA H 33 4.151 3.924 0.227 1
1 312 . 16 1 1 A 33 33 LYS C C 33 178.380 178.901 -0.521 1
1 313 . 16 1 1 A 33 33 LYS CA C 33 58.671 59.052 -0.381 1
1 314 . 16 1 1 A 33 33 LYS CB C 33 32.152 32.201 -0.049 1
1 318 . 16 1 1 A 33 33 LYS N N 33 117.710 120.109 -2.399 1
1 319 . 16 1 1 A 34 34 THR H H 34 7.753 8.332 -0.579 1
1 320 . 16 1 1 A 34 34 THR HA H 34 4.151 3.910 0.241 1
1 325 . 16 1 1 A 34 34 THR C C 34 175.449 174.219 1.230 1
1 326 . 16 1 1 A 34 34 THR CA C 34 63.751 64.280 -0.529 1
1 327 . 16 1 1 A 34 34 THR CB C 34 69.354 68.713 0.641 1
1 329 . 16 1 1 A 34 34 THR N N 34 109.516 115.131 -5.615 1
1 330 . 16 1 1 A 35 35 HIS H H 35 7.153 7.748 -0.595 1
1 331 . 16 1 1 A 35 35 HIS HA H 35 4.874 5.124 -0.250 1
1 336 . 16 1 1 A 35 35 HIS C C 35 175.240 174.632 0.608 1
1 337 . 16 1 1 A 35 35 HIS CA C 35 55.228 55.070 0.158 1
1 338 . 16 1 1 A 35 35 HIS CB C 35 28.899 31.314 -2.415 1
1 341 . 16 1 1 A 35 35 HIS N N 35 118.672 118.436 0.236 1
1 342 . 16 1 1 A 36 36 SER H H 36 7.936 8.827 -0.891 1
1 345 . 16 1 1 A 36 36 SER C C 36 175.155 172.817 2.338 1
1 346 . 16 1 1 A 36 36 SER CA C 36 58.865 57.383 1.482 1
1 347 . 16 1 1 A 36 36 SER CB C 36 63.926 65.047 -1.121 1
1 348 . 16 1 1 A 36 36 SER N N 36 115.177 117.615 -2.438 1
1 349 . 16 1 1 A 37 37 GLY HA2 H 37 4.000 4.129 -0.129 1
1 350 . 16 1 1 A 37 37 GLY HA3 H 37 3.924 4.133 -0.209 1
1 351 . 16 1 1 A 37 37 GLY C C 37 174.151 174.816 -0.665 1
1 352 . 16 1 1 A 37 37 GLY CA C 37 45.327 45.484 -0.157 1
1 353 . 16 1 1 A 38 38 GLN H H 38 8.214 8.242 -0.028 1
1 354 . 16 1 1 A 38 38 GLN HA H 38 4.419 3.814 0.605 1
1 360 . 16 1 1 A 38 38 GLN C C 38 176.047 177.124 -1.077 1
1 361 . 16 1 1 A 38 38 GLN CA C 38 55.808 59.069 -3.261 1
1 362 . 16 1 1 A 38 38 GLN CB C 38 29.587 28.750 0.837 1
1 364 . 16 1 1 A 38 38 GLN N N 38 119.770 121.624 -1.854 1
1 366 . 16 1 1 A 39 39 SER H H 39 8.420 7.867 0.553 1
1 367 . 16 1 1 A 39 39 SER HA H 39 4.510 4.158 0.352 1
1 370 . 16 1 1 A 39 39 SER C C 39 174.504 175.680 -1.176 1
1 371 . 16 1 1 A 39 39 SER CA C 39 58.371 59.645 -1.274 1
1 372 . 16 1 1 A 39 39 SER CB C 39 64.007 63.456 0.551 1
1 373 . 16 1 1 A 39 39 SER N N 39 117.120 115.204 1.916 1
1 374 . 16 1 1 A 40 40 GLY H H 40 8.269 8.767 -0.498 1
1 375 . 16 1 1 A 40 40 GLY HA2 H 40 4.108 4.011 0.097 1
1 376 . 16 1 1 A 40 40 GLY HA3 H 40 4.182 4.011 0.171 1
1 377 . 16 1 1 A 40 40 GLY C C 40 171.768 174.319 -2.551 1
1 378 . 16 1 1 A 40 40 GLY CA C 40 44.645 46.342 -1.697 1
1 379 . 16 1 1 A 40 40 GLY N N 40 110.759 114.460 -3.701 1
1 380 . 16 1 1 A 41 41 PRO HA H 41 4.490 4.612 -0.122 1
1 387 . 16 1 1 A 41 41 PRO C C 41 177.377 175.846 1.531 1
1 388 . 16 1 1 A 41 41 PRO CA C 41 63.244 62.661 0.583 1
1 389 . 16 1 1 A 41 41 PRO CB C 41 32.185 30.295 1.890 1
1 392 . 16 1 1 A 42 42 SER H H 42 8.514 8.443 0.071 1
1 393 . 16 1 1 A 42 42 SER C C 42 174.655 173.347 1.308 1
1 394 . 16 1 1 A 42 42 SER CA C 42 58.447 57.904 0.543 1
1 395 . 16 1 1 A 42 42 SER CB C 42 64.027 64.198 -0.171 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 4.008 4.198 -0.190 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.008 4.199 -0.191 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.487 173.327 1.160 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.536 44.579 0.957 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.161 8.237 -0.076 1
1 6 . 17 1 1 A 8 8 THR HA H 8 4.393 4.179 0.214 1
1 11 . 17 1 1 A 8 8 THR C C 8 175.248 174.340 0.908 1
1 12 . 17 1 1 A 8 8 THR CA C 8 61.821 62.209 -0.388 1
1 13 . 17 1 1 A 8 8 THR CB C 8 69.873 70.236 -0.363 1
1 15 . 17 1 1 A 8 8 THR N N 8 112.733 113.272 -0.539 1
1 16 . 17 1 1 A 9 9 GLY H H 9 8.469 8.429 0.040 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 4.008 3.980 0.028 1
1 18 . 17 1 1 A 9 9 GLY HA3 H 9 4.008 3.981 0.027 1
1 19 . 17 1 1 A 9 9 GLY C C 9 174.052 174.864 -0.812 1
1 20 . 17 1 1 A 9 9 GLY CA C 9 45.528 45.368 0.160 1
1 21 . 17 1 1 A 9 9 GLY N N 9 111.035 108.980 2.055 1
1 22 . 17 1 1 A 10 10 GLU H H 10 8.214 8.102 0.112 1
1 23 . 17 1 1 A 10 10 GLU HA H 10 4.246 3.876 0.370 1
1 28 . 17 1 1 A 10 10 GLU C C 10 175.942 175.762 0.180 1
1 29 . 17 1 1 A 10 10 GLU CA C 10 56.603 57.358 -0.755 1
1 30 . 17 1 1 A 10 10 GLU CB C 10 30.592 28.043 2.549 1
1 32 . 17 1 1 A 10 10 GLU N N 10 119.967 115.392 4.575 1
1 33 . 17 1 1 A 11 11 ASN H H 11 8.407 8.116 0.291 1
1 34 . 17 1 1 A 11 11 ASN HA H 11 4.947 4.754 0.193 1
1 39 . 17 1 1 A 11 11 ASN C C 11 172.759 175.104 -2.345 1
1 40 . 17 1 1 A 11 11 ASN CA C 11 51.229 51.710 -0.481 1
1 41 . 17 1 1 A 11 11 ASN CB C 11 39.486 37.727 1.759 1
1 42 . 17 1 1 A 11 11 ASN N N 11 119.687 117.290 2.397 1
1 44 . 17 1 1 A 12 12 PRO HA H 12 4.295 4.296 -0.001 1
1 51 . 17 1 1 A 12 12 PRO C C 12 176.280 175.715 0.565 1
1 52 . 17 1 1 A 12 12 PRO CA C 12 63.512 63.914 -0.402 1
1 53 . 17 1 1 A 12 12 PRO CB C 12 32.183 31.139 1.044 1
1 56 . 17 1 1 A 13 13 TYR H H 13 8.160 7.397 0.763 1
1 57 . 17 1 1 A 13 13 TYR HA H 13 4.694 5.211 -0.517 1
1 64 . 17 1 1 A 13 13 TYR C C 13 173.960 174.239 -0.279 1
1 65 . 17 1 1 A 13 13 TYR CA C 13 56.912 56.557 0.355 1
1 66 . 17 1 1 A 13 13 TYR CB C 13 38.357 40.305 -1.948 1
1 71 . 17 1 1 A 13 13 TYR N N 13 118.775 118.533 0.242 1
1 72 . 17 1 1 A 14 14 GLU H H 14 8.335 9.055 -0.720 1
1 73 . 17 1 1 A 14 14 GLU HA H 14 5.017 4.985 0.032 1
1 78 . 17 1 1 A 14 14 GLU C C 14 175.182 175.512 -0.330 1
1 79 . 17 1 1 A 14 14 GLU CA C 14 54.455 55.103 -0.648 1
1 80 . 17 1 1 A 14 14 GLU CB C 14 33.214 31.915 1.299 1
1 82 . 17 1 1 A 14 14 GLU N N 14 123.792 126.014 -2.222 1
1 83 . 17 1 1 A 15 15 CYS H H 15 9.398 8.907 0.491 1
1 84 . 17 1 1 A 15 15 CYS HA H 15 4.648 4.442 0.206 1
1 87 . 17 1 1 A 15 15 CYS C C 15 177.220 176.009 1.211 1
1 88 . 17 1 1 A 15 15 CYS CA C 15 59.337 60.099 -0.762 1
1 89 . 17 1 1 A 15 15 CYS CB C 15 29.644 28.438 1.206 1
1 90 . 17 1 1 A 15 15 CYS N N 15 127.444 126.738 0.706 1
1 91 . 17 1 1 A 16 16 CYS H H 16 9.319 8.991 0.328 1
1 92 . 17 1 1 A 16 16 CYS HA H 16 4.475 4.594 -0.119 1
1 95 . 17 1 1 A 16 16 CYS C C 16 174.596 175.481 -0.885 1
1 96 . 17 1 1 A 16 16 CYS CA C 16 60.515 58.916 1.599 1
1 97 . 17 1 1 A 16 16 CYS CB C 16 27.201 26.853 0.348 1
1 98 . 17 1 1 A 16 16 CYS N N 16 130.435 127.324 3.111 1
1 99 . 17 1 1 A 17 17 GLU H H 17 8.688 8.050 0.638 1
1 100 . 17 1 1 A 17 17 GLU HA H 17 4.287 4.438 -0.151 1
1 105 . 17 1 1 A 17 17 GLU C C 17 177.134 177.667 -0.533 1
1 106 . 17 1 1 A 17 17 GLU CA C 17 58.287 57.053 1.234 1
1 107 . 17 1 1 A 17 17 GLU CB C 17 29.747 31.918 -2.171 1
1 109 . 17 1 1 A 17 17 GLU N N 17 122.479 122.206 0.273 1
1 110 . 17 1 1 A 18 18 CYS H H 18 7.912 8.127 -0.215 1
1 111 . 17 1 1 A 18 18 CYS HA H 18 5.182 4.666 0.516 1
1 114 . 17 1 1 A 18 18 CYS C C 18 176.224 175.414 0.810 1
1 115 . 17 1 1 A 18 18 CYS CA C 18 58.452 59.708 -1.256 1
1 116 . 17 1 1 A 18 18 CYS CB C 18 32.577 29.935 2.642 1
1 117 . 17 1 1 A 18 18 CYS N N 18 114.583 114.980 -0.397 1
1 118 . 17 1 1 A 19 19 GLY H H 19 8.302 8.250 0.052 1
1 119 . 17 1 1 A 19 19 GLY HA2 H 19 3.918 4.087 -0.169 1
1 120 . 17 1 1 A 19 19 GLY HA3 H 19 4.235 4.101 0.134 1
1 121 . 17 1 1 A 19 19 GLY C C 19 173.879 174.068 -0.189 1
1 122 . 17 1 1 A 19 19 GLY CA C 19 46.133 45.710 0.423 1
1 123 . 17 1 1 A 19 19 GLY N N 19 113.493 109.525 3.968 1
1 124 . 17 1 1 A 20 20 LYS H H 20 7.918 7.969 -0.051 1
1 125 . 17 1 1 A 20 20 LYS HA H 20 4.006 4.738 -0.732 1
1 134 . 17 1 1 A 20 20 LYS C C 20 174.253 175.163 -0.910 1
1 135 . 17 1 1 A 20 20 LYS CA C 20 58.177 54.458 3.719 1
1 136 . 17 1 1 A 20 20 LYS CB C 20 33.916 35.576 -1.660 1
1 140 . 17 1 1 A 20 20 LYS N N 20 122.419 119.449 2.970 1
1 141 . 17 1 1 A 21 21 VAL H H 21 7.565 8.695 -1.130 1
1 142 . 17 1 1 A 21 21 VAL HA H 21 4.798 4.929 -0.131 1
1 150 . 17 1 1 A 21 21 VAL C C 21 175.151 174.675 0.476 1
1 151 . 17 1 1 A 21 21 VAL CA C 21 60.194 61.347 -1.153 1
1 152 . 17 1 1 A 21 21 VAL CB C 21 34.074 32.895 1.179 1
1 155 . 17 1 1 A 21 21 VAL N N 21 116.838 123.348 -6.510 1
1 156 . 17 1 1 A 22 22 PHE H H 22 8.603 8.904 -0.301 1
1 157 . 17 1 1 A 22 22 PHE HA H 22 4.787 5.001 -0.214 1
1 165 . 17 1 1 A 22 22 PHE C C 22 175.198 175.695 -0.497 1
1 166 . 17 1 1 A 22 22 PHE CA C 22 56.970 56.507 0.463 1
1 167 . 17 1 1 A 22 22 PHE CB C 22 43.313 43.719 -0.406 1
1 173 . 17 1 1 A 22 22 PHE N N 22 121.088 123.798 -2.710 1
1 174 . 17 1 1 A 23 23 SER H H 23 8.908 9.110 -0.202 1
1 175 . 17 1 1 A 23 23 SER HA H 23 4.678 4.620 0.058 1
1 178 . 17 1 1 A 23 23 SER C C 23 174.535 173.450 1.085 1
1 179 . 17 1 1 A 23 23 SER CA C 23 60.208 60.926 -0.718 1
1 180 . 17 1 1 A 23 23 SER CB C 23 64.284 63.517 0.767 1
1 181 . 17 1 1 A 23 23 SER N N 23 115.507 116.899 -1.392 1
1 182 . 17 1 1 A 24 24 ARG H H 24 7.696 7.948 -0.252 1
1 183 . 17 1 1 A 24 24 ARG HA H 24 4.727 4.643 0.084 1
1 190 . 17 1 1 A 24 24 ARG C C 24 176.245 175.755 0.490 1
1 191 . 17 1 1 A 24 24 ARG CA C 24 54.240 54.300 -0.060 1
1 192 . 17 1 1 A 24 24 ARG CB C 24 35.386 32.845 2.541 1
1 195 . 17 1 1 A 24 24 ARG N N 24 117.322 118.219 -0.897 1
1 196 . 17 1 1 A 25 25 LYS H H 25 8.456 7.725 0.731 1
1 197 . 17 1 1 A 25 25 LYS HA H 25 3.035 3.077 -0.042 1
1 206 . 17 1 1 A 25 25 LYS C C 25 177.886 177.700 0.186 1
1 207 . 17 1 1 A 25 25 LYS CA C 25 59.309 59.911 -0.602 1
1 208 . 17 1 1 A 25 25 LYS CB C 25 31.983 32.078 -0.095 1
1 212 . 17 1 1 A 25 25 LYS N N 25 125.034 124.996 0.038 1
1 213 . 17 1 1 A 26 26 ASP H H 26 8.540 7.982 0.558 1
1 214 . 17 1 1 A 26 26 ASP HA H 26 4.142 4.213 -0.071 1
1 217 . 17 1 1 A 26 26 ASP C C 26 178.695 178.619 0.076 1
1 218 . 17 1 1 A 26 26 ASP CA C 26 56.780 57.458 -0.678 1
1 219 . 17 1 1 A 26 26 ASP CB C 26 39.330 40.920 -1.590 1
1 220 . 17 1 1 A 26 26 ASP N N 26 114.989 119.275 -4.286 1
1 221 . 17 1 1 A 27 27 GLN H H 27 6.981 8.145 -1.164 1
1 222 . 17 1 1 A 27 27 GLN HA H 27 3.987 4.046 -0.059 1
1 229 . 17 1 1 A 27 27 GLN C C 27 178.473 178.491 -0.018 1
1 230 . 17 1 1 A 27 27 GLN CA C 27 57.612 58.916 -1.304 1
1 231 . 17 1 1 A 27 27 GLN CB C 27 28.915 28.336 0.579 1
1 233 . 17 1 1 A 27 27 GLN N N 27 119.394 117.486 1.908 1
1 235 . 17 1 1 A 28 28 LEU H H 28 6.969 7.633 -0.664 1
1 236 . 17 1 1 A 28 28 LEU HA H 28 3.249 2.658 0.591 1
1 246 . 17 1 1 A 28 28 LEU C C 28 177.627 178.083 -0.456 1
1 247 . 17 1 1 A 28 28 LEU CA C 28 57.956 57.307 0.649 1
1 248 . 17 1 1 A 28 28 LEU CB C 28 40.568 41.113 -0.545 1
1 252 . 17 1 1 A 28 28 LEU N N 28 121.993 121.369 0.624 1
1 253 . 17 1 1 A 29 29 VAL H H 29 8.261 8.421 -0.160 1
1 254 . 17 1 1 A 29 29 VAL HA H 29 3.704 3.446 0.258 1
1 262 . 17 1 1 A 29 29 VAL C C 29 179.259 178.747 0.512 1
1 263 . 17 1 1 A 29 29 VAL CA C 29 66.532 67.036 -0.504 1
1 264 . 17 1 1 A 29 29 VAL CB C 29 31.765 31.281 0.484 1
1 267 . 17 1 1 A 29 29 VAL N N 29 119.585 119.226 0.359 1
1 268 . 17 1 1 A 30 30 SER H H 30 7.721 7.868 -0.147 1
1 269 . 17 1 1 A 30 30 SER HA H 30 4.104 4.255 -0.151 1
1 272 . 17 1 1 A 30 30 SER C C 30 177.207 176.449 0.758 1
1 273 . 17 1 1 A 30 30 SER CA C 30 61.647 60.530 1.117 1
1 274 . 17 1 1 A 30 30 SER CB C 30 62.575 63.187 -0.612 1
1 275 . 17 1 1 A 30 30 SER N N 30 113.762 115.487 -1.725 1
1 276 . 17 1 1 A 31 31 HIS H H 31 7.676 7.622 0.054 1
1 277 . 17 1 1 A 31 31 HIS HA H 31 4.271 4.202 0.069 1
1 282 . 17 1 1 A 31 31 HIS C C 31 177.982 177.230 0.752 1
1 283 . 17 1 1 A 31 31 HIS CA C 31 59.051 59.276 -0.225 1
1 284 . 17 1 1 A 31 31 HIS CB C 31 28.436 30.166 -1.730 1
1 287 . 17 1 1 A 31 31 HIS N N 31 120.492 121.068 -0.576 1
1 288 . 17 1 1 A 32 32 GLN H H 32 8.881 8.681 0.200 1
1 289 . 17 1 1 A 32 32 GLN HA H 32 3.718 3.812 -0.094 1
1 296 . 17 1 1 A 32 32 GLN C C 32 177.983 178.643 -0.660 1
1 297 . 17 1 1 A 32 32 GLN CA C 32 59.912 58.921 0.991 1
1 298 . 17 1 1 A 32 32 GLN CB C 32 28.124 28.285 -0.161 1
1 300 . 17 1 1 A 32 32 GLN N N 32 120.621 118.324 2.297 1
1 302 . 17 1 1 A 33 33 LYS H H 33 7.245 7.426 -0.181 1
1 303 . 17 1 1 A 33 33 LYS HA H 33 4.151 4.002 0.149 1
1 312 . 17 1 1 A 33 33 LYS C C 33 178.380 179.603 -1.223 1
1 313 . 17 1 1 A 33 33 LYS CA C 33 58.671 59.383 -0.712 1
1 314 . 17 1 1 A 33 33 LYS CB C 33 32.152 32.544 -0.392 1
1 318 . 17 1 1 A 33 33 LYS N N 33 117.710 119.921 -2.211 1
1 319 . 17 1 1 A 34 34 THR H H 34 7.753 8.135 -0.382 1
1 320 . 17 1 1 A 34 34 THR HA H 34 4.151 3.988 0.163 1
1 325 . 17 1 1 A 34 34 THR C C 34 175.449 174.800 0.649 1
1 326 . 17 1 1 A 34 34 THR CA C 34 63.751 64.357 -0.606 1
1 327 . 17 1 1 A 34 34 THR CB C 34 69.354 68.652 0.702 1
1 329 . 17 1 1 A 34 34 THR N N 34 109.516 114.923 -5.407 1
1 330 . 17 1 1 A 35 35 HIS H H 35 7.153 7.416 -0.263 1
1 331 . 17 1 1 A 35 35 HIS HA H 35 4.874 4.553 0.321 1
1 336 . 17 1 1 A 35 35 HIS C C 35 175.240 175.304 -0.064 1
1 337 . 17 1 1 A 35 35 HIS CA C 35 55.228 56.051 -0.823 1
1 338 . 17 1 1 A 35 35 HIS CB C 35 28.899 29.628 -0.729 1
1 341 . 17 1 1 A 35 35 HIS N N 35 118.672 120.309 -1.637 1
1 342 . 17 1 1 A 36 36 SER H H 36 7.936 9.088 -1.152 1
1 345 . 17 1 1 A 36 36 SER C C 36 175.155 174.554 0.601 1
1 346 . 17 1 1 A 36 36 SER CA C 36 58.865 61.483 -2.618 1
1 347 . 17 1 1 A 36 36 SER CB C 36 63.926 63.612 0.314 1
1 348 . 17 1 1 A 36 36 SER N N 36 115.177 119.937 -4.760 1
1 349 . 17 1 1 A 37 37 GLY HA2 H 37 4.000 4.003 -0.003 1
1 350 . 17 1 1 A 37 37 GLY HA3 H 37 3.924 4.011 -0.087 1
1 351 . 17 1 1 A 37 37 GLY C C 37 174.151 175.017 -0.866 1
1 352 . 17 1 1 A 37 37 GLY CA C 37 45.327 45.502 -0.175 1
1 353 . 17 1 1 A 38 38 GLN H H 38 8.214 7.885 0.329 1
1 354 . 17 1 1 A 38 38 GLN HA H 38 4.419 4.505 -0.086 1
1 360 . 17 1 1 A 38 38 GLN C C 38 176.047 174.813 1.234 1
1 361 . 17 1 1 A 38 38 GLN CA C 38 55.808 55.406 0.402 1
1 362 . 17 1 1 A 38 38 GLN CB C 38 29.587 27.331 2.256 1
1 364 . 17 1 1 A 38 38 GLN N N 38 119.770 121.020 -1.250 1
1 366 . 17 1 1 A 39 39 SER H H 39 8.420 7.801 0.619 1
1 367 . 17 1 1 A 39 39 SER HA H 39 4.510 5.014 -0.504 1
1 370 . 17 1 1 A 39 39 SER C C 39 174.504 173.338 1.166 1
1 371 . 17 1 1 A 39 39 SER CA C 39 58.371 56.794 1.577 1
1 372 . 17 1 1 A 39 39 SER CB C 39 64.007 64.113 -0.106 1
1 373 . 17 1 1 A 39 39 SER N N 39 117.120 113.778 3.342 1
1 374 . 17 1 1 A 40 40 GLY H H 40 8.269 8.325 -0.056 1
1 375 . 17 1 1 A 40 40 GLY HA2 H 40 4.108 4.117 -0.009 1
1 376 . 17 1 1 A 40 40 GLY HA3 H 40 4.182 4.118 0.064 1
1 377 . 17 1 1 A 40 40 GLY C C 40 171.768 173.017 -1.249 1
1 378 . 17 1 1 A 40 40 GLY CA C 40 44.645 46.040 -1.395 1
1 379 . 17 1 1 A 40 40 GLY N N 40 110.759 111.036 -0.277 1
1 380 . 17 1 1 A 41 41 PRO HA H 41 4.490 4.743 -0.253 1
1 387 . 17 1 1 A 41 41 PRO C C 41 177.377 176.794 0.583 1
1 388 . 17 1 1 A 41 41 PRO CA C 41 63.244 62.369 0.875 1
1 389 . 17 1 1 A 41 41 PRO CB C 41 32.185 29.805 2.380 1
1 392 . 17 1 1 A 42 42 SER H H 42 8.514 8.056 0.458 1
1 393 . 17 1 1 A 42 42 SER C C 42 174.655 174.498 0.157 1
1 394 . 17 1 1 A 42 42 SER CA C 42 58.447 57.432 1.015 1
1 395 . 17 1 1 A 42 42 SER CB C 42 64.027 63.008 1.019 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 4.008 4.001 0.007 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.008 4.002 0.006 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.487 175.192 -0.705 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.536 46.447 -0.911 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.161 8.002 0.159 1
1 6 . 18 1 1 A 8 8 THR HA H 8 4.393 4.584 -0.191 1
1 11 . 18 1 1 A 8 8 THR C C 8 175.248 174.119 1.129 1
1 12 . 18 1 1 A 8 8 THR CA C 8 61.821 60.646 1.175 1
1 13 . 18 1 1 A 8 8 THR CB C 8 69.873 68.962 0.911 1
1 15 . 18 1 1 A 8 8 THR N N 8 112.733 111.439 1.294 1
1 16 . 18 1 1 A 9 9 GLY H H 9 8.469 7.504 0.965 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 4.008 4.111 -0.103 1
1 18 . 18 1 1 A 9 9 GLY HA3 H 9 4.008 4.111 -0.103 1
1 19 . 18 1 1 A 9 9 GLY C C 9 174.052 173.890 0.162 1
1 20 . 18 1 1 A 9 9 GLY CA C 9 45.528 45.251 0.277 1
1 21 . 18 1 1 A 9 9 GLY N N 9 111.035 108.796 2.239 1
1 22 . 18 1 1 A 10 10 GLU H H 10 8.214 8.489 -0.275 1
1 23 . 18 1 1 A 10 10 GLU HA H 10 4.246 4.731 -0.485 1
1 28 . 18 1 1 A 10 10 GLU C C 10 175.942 175.738 0.204 1
1 29 . 18 1 1 A 10 10 GLU CA C 10 56.603 55.648 0.955 1
1 30 . 18 1 1 A 10 10 GLU CB C 10 30.592 30.682 -0.090 1
1 32 . 18 1 1 A 10 10 GLU N N 10 119.967 124.163 -4.196 1
1 33 . 18 1 1 A 11 11 ASN H H 11 8.407 8.726 -0.319 1
1 34 . 18 1 1 A 11 11 ASN HA H 11 4.947 5.082 -0.135 1
1 39 . 18 1 1 A 11 11 ASN C C 11 172.759 175.273 -2.514 1
1 40 . 18 1 1 A 11 11 ASN CA C 11 51.229 51.331 -0.102 1
1 41 . 18 1 1 A 11 11 ASN CB C 11 39.486 38.381 1.105 1
1 42 . 18 1 1 A 11 11 ASN N N 11 119.687 125.989 -6.302 1
1 44 . 18 1 1 A 12 12 PRO HA H 12 4.295 4.267 0.028 1
1 51 . 18 1 1 A 12 12 PRO C C 12 176.280 175.747 0.533 1
1 52 . 18 1 1 A 12 12 PRO CA C 12 63.512 64.167 -0.655 1
1 53 . 18 1 1 A 12 12 PRO CB C 12 32.183 31.516 0.667 1
1 56 . 18 1 1 A 13 13 TYR H H 13 8.160 7.444 0.716 1
1 57 . 18 1 1 A 13 13 TYR HA H 13 4.694 5.348 -0.654 1
1 64 . 18 1 1 A 13 13 TYR C C 13 173.960 174.230 -0.270 1
1 65 . 18 1 1 A 13 13 TYR CA C 13 56.912 56.685 0.227 1
1 66 . 18 1 1 A 13 13 TYR CB C 13 38.357 41.364 -3.007 1
1 71 . 18 1 1 A 13 13 TYR N N 13 118.775 117.812 0.963 1
1 72 . 18 1 1 A 14 14 GLU H H 14 8.335 9.200 -0.865 1
1 73 . 18 1 1 A 14 14 GLU HA H 14 5.017 5.270 -0.253 1
1 78 . 18 1 1 A 14 14 GLU C C 14 175.182 174.887 0.295 1
1 79 . 18 1 1 A 14 14 GLU CA C 14 54.455 54.902 -0.447 1
1 80 . 18 1 1 A 14 14 GLU CB C 14 33.214 33.177 0.037 1
1 82 . 18 1 1 A 14 14 GLU N N 14 123.792 124.892 -1.100 1
1 83 . 18 1 1 A 15 15 CYS H H 15 9.398 8.978 0.420 1
1 84 . 18 1 1 A 15 15 CYS HA H 15 4.648 4.613 0.035 1
1 87 . 18 1 1 A 15 15 CYS C C 15 177.220 175.260 1.960 1
1 88 . 18 1 1 A 15 15 CYS CA C 15 59.337 58.035 1.302 1
1 89 . 18 1 1 A 15 15 CYS CB C 15 29.644 27.658 1.986 1
1 90 . 18 1 1 A 15 15 CYS N N 15 127.444 126.112 1.332 1
1 91 . 18 1 1 A 16 16 CYS H H 16 9.319 8.155 1.164 1
1 92 . 18 1 1 A 16 16 CYS HA H 16 4.475 4.132 0.343 1
1 95 . 18 1 1 A 16 16 CYS C C 16 174.596 177.381 -2.785 1
1 96 . 18 1 1 A 16 16 CYS CA C 16 60.515 63.063 -2.548 1
1 97 . 18 1 1 A 16 16 CYS CB C 16 27.201 26.934 0.267 1
1 98 . 18 1 1 A 16 16 CYS N N 16 130.435 125.549 4.886 1
1 99 . 18 1 1 A 17 17 GLU H H 17 8.688 8.293 0.395 1
1 100 . 18 1 1 A 17 17 GLU HA H 17 4.287 3.994 0.293 1
1 105 . 18 1 1 A 17 17 GLU C C 17 177.134 178.018 -0.884 1
1 106 . 18 1 1 A 17 17 GLU CA C 17 58.287 59.482 -1.195 1
1 107 . 18 1 1 A 17 17 GLU CB C 17 29.747 29.070 0.677 1
1 109 . 18 1 1 A 17 17 GLU N N 17 122.479 119.621 2.858 1
1 110 . 18 1 1 A 18 18 CYS H H 18 7.912 7.768 0.144 1
1 111 . 18 1 1 A 18 18 CYS HA H 18 5.182 4.614 0.568 1
1 114 . 18 1 1 A 18 18 CYS C C 18 176.224 175.399 0.825 1
1 115 . 18 1 1 A 18 18 CYS CA C 18 58.452 59.617 -1.165 1
1 116 . 18 1 1 A 18 18 CYS CB C 18 32.577 29.848 2.729 1
1 117 . 18 1 1 A 18 18 CYS N N 18 114.583 114.675 -0.092 1
1 118 . 18 1 1 A 19 19 GLY H H 19 8.302 8.146 0.156 1
1 119 . 18 1 1 A 19 19 GLY HA2 H 19 3.918 4.062 -0.144 1
1 120 . 18 1 1 A 19 19 GLY HA3 H 19 4.235 4.064 0.171 1
1 121 . 18 1 1 A 19 19 GLY C C 19 173.879 174.099 -0.220 1
1 122 . 18 1 1 A 19 19 GLY CA C 19 46.133 45.497 0.636 1
1 123 . 18 1 1 A 19 19 GLY N N 19 113.493 110.133 3.360 1
1 124 . 18 1 1 A 20 20 LYS H H 20 7.918 7.524 0.394 1
1 125 . 18 1 1 A 20 20 LYS HA H 20 4.006 4.692 -0.686 1
1 134 . 18 1 1 A 20 20 LYS C C 20 174.253 175.321 -1.068 1
1 135 . 18 1 1 A 20 20 LYS CA C 20 58.177 54.192 3.985 1
1 136 . 18 1 1 A 20 20 LYS CB C 20 33.916 34.794 -0.878 1
1 140 . 18 1 1 A 20 20 LYS N N 20 122.419 118.786 3.633 1
1 141 . 18 1 1 A 21 21 VAL H H 21 7.565 8.260 -0.695 1
1 142 . 18 1 1 A 21 21 VAL HA H 21 4.798 5.001 -0.203 1
1 150 . 18 1 1 A 21 21 VAL C C 21 175.151 174.128 1.023 1
1 151 . 18 1 1 A 21 21 VAL CA C 21 60.194 60.086 0.108 1
1 152 . 18 1 1 A 21 21 VAL CB C 21 34.074 35.842 -1.768 1
1 155 . 18 1 1 A 21 21 VAL N N 21 116.838 119.928 -3.090 1
1 156 . 18 1 1 A 22 22 PHE H H 22 8.603 8.581 0.022 1
1 157 . 18 1 1 A 22 22 PHE HA H 22 4.787 4.988 -0.201 1
1 165 . 18 1 1 A 22 22 PHE C C 22 175.198 175.651 -0.453 1
1 166 . 18 1 1 A 22 22 PHE CA C 22 56.970 56.578 0.392 1
1 167 . 18 1 1 A 22 22 PHE CB C 22 43.313 43.953 -0.640 1
1 173 . 18 1 1 A 22 22 PHE N N 22 121.088 123.865 -2.777 1
1 174 . 18 1 1 A 23 23 SER H H 23 8.908 9.098 -0.190 1
1 175 . 18 1 1 A 23 23 SER HA H 23 4.678 4.726 -0.048 1
1 178 . 18 1 1 A 23 23 SER C C 23 174.535 174.558 -0.023 1
1 179 . 18 1 1 A 23 23 SER CA C 23 60.208 60.105 0.103 1
1 180 . 18 1 1 A 23 23 SER CB C 23 64.284 64.537 -0.253 1
1 181 . 18 1 1 A 23 23 SER N N 23 115.507 116.043 -0.536 1
1 182 . 18 1 1 A 24 24 ARG H H 24 7.696 7.946 -0.250 1
1 183 . 18 1 1 A 24 24 ARG HA H 24 4.727 4.748 -0.021 1
1 190 . 18 1 1 A 24 24 ARG C C 24 176.245 175.799 0.446 1
1 191 . 18 1 1 A 24 24 ARG CA C 24 54.240 54.367 -0.127 1
1 192 . 18 1 1 A 24 24 ARG CB C 24 35.386 32.922 2.464 1
1 195 . 18 1 1 A 24 24 ARG N N 24 117.322 119.283 -1.961 1
1 196 . 18 1 1 A 25 25 LYS H H 25 8.456 8.265 0.191 1
1 197 . 18 1 1 A 25 25 LYS HA H 25 3.035 2.815 0.220 1
1 206 . 18 1 1 A 25 25 LYS C C 25 177.886 177.395 0.491 1
1 207 . 18 1 1 A 25 25 LYS CA C 25 59.309 59.932 -0.623 1
1 208 . 18 1 1 A 25 25 LYS CB C 25 31.983 31.840 0.143 1
1 212 . 18 1 1 A 25 25 LYS N N 25 125.034 124.789 0.245 1
1 213 . 18 1 1 A 26 26 ASP H H 26 8.540 8.353 0.187 1
1 214 . 18 1 1 A 26 26 ASP HA H 26 4.142 4.289 -0.147 1
1 217 . 18 1 1 A 26 26 ASP C C 26 178.695 178.765 -0.070 1
1 218 . 18 1 1 A 26 26 ASP CA C 26 56.780 56.781 -0.001 1
1 219 . 18 1 1 A 26 26 ASP CB C 26 39.330 40.408 -1.078 1
1 220 . 18 1 1 A 26 26 ASP N N 26 114.989 117.737 -2.748 1
1 221 . 18 1 1 A 27 27 GLN H H 27 6.981 7.980 -0.999 1
1 222 . 18 1 1 A 27 27 GLN HA H 27 3.987 3.977 0.010 1
1 229 . 18 1 1 A 27 27 GLN C C 27 178.473 178.053 0.420 1
1 230 . 18 1 1 A 27 27 GLN CA C 27 57.612 58.619 -1.007 1
1 231 . 18 1 1 A 27 27 GLN CB C 27 28.915 28.393 0.522 1
1 233 . 18 1 1 A 27 27 GLN N N 27 119.394 118.496 0.898 1
1 235 . 18 1 1 A 28 28 LEU H H 28 6.969 7.608 -0.639 1
1 236 . 18 1 1 A 28 28 LEU HA H 28 3.249 2.836 0.413 1
1 246 . 18 1 1 A 28 28 LEU C C 28 177.627 178.495 -0.868 1
1 247 . 18 1 1 A 28 28 LEU CA C 28 57.956 57.453 0.503 1
1 248 . 18 1 1 A 28 28 LEU CB C 28 40.568 41.367 -0.799 1
1 252 . 18 1 1 A 28 28 LEU N N 28 121.993 121.593 0.400 1
1 253 . 18 1 1 A 29 29 VAL H H 29 8.261 8.005 0.256 1
1 254 . 18 1 1 A 29 29 VAL HA H 29 3.704 3.472 0.232 1
1 262 . 18 1 1 A 29 29 VAL C C 29 179.259 177.980 1.279 1
1 263 . 18 1 1 A 29 29 VAL CA C 29 66.532 66.895 -0.363 1
1 264 . 18 1 1 A 29 29 VAL CB C 29 31.765 31.471 0.294 1
1 267 . 18 1 1 A 29 29 VAL N N 29 119.585 119.797 -0.212 1
1 268 . 18 1 1 A 30 30 SER H H 30 7.721 7.665 0.056 1
1 269 . 18 1 1 A 30 30 SER HA H 30 4.104 4.088 0.016 1
1 272 . 18 1 1 A 30 30 SER C C 30 177.207 176.844 0.363 1
1 273 . 18 1 1 A 30 30 SER CA C 30 61.647 60.826 0.821 1
1 274 . 18 1 1 A 30 30 SER CB C 30 62.575 63.078 -0.503 1
1 275 . 18 1 1 A 30 30 SER N N 30 113.762 114.343 -0.581 1
1 276 . 18 1 1 A 31 31 HIS H H 31 7.676 7.628 0.048 1
1 277 . 18 1 1 A 31 31 HIS HA H 31 4.271 4.272 -0.001 1
1 282 . 18 1 1 A 31 31 HIS C C 31 177.982 177.557 0.425 1
1 283 . 18 1 1 A 31 31 HIS CA C 31 59.051 59.558 -0.507 1
1 284 . 18 1 1 A 31 31 HIS CB C 31 28.436 29.856 -1.420 1
1 287 . 18 1 1 A 31 31 HIS N N 31 120.492 120.557 -0.065 1
1 288 . 18 1 1 A 32 32 GLN H H 32 8.881 8.605 0.276 1
1 289 . 18 1 1 A 32 32 GLN HA H 32 3.718 4.268 -0.550 1
1 296 . 18 1 1 A 32 32 GLN C C 32 177.983 177.578 0.405 1
1 297 . 18 1 1 A 32 32 GLN CA C 32 59.912 57.938 1.974 1
1 298 . 18 1 1 A 32 32 GLN CB C 32 28.124 28.779 -0.655 1
1 300 . 18 1 1 A 32 32 GLN N N 32 120.621 118.523 2.098 1
1 302 . 18 1 1 A 33 33 LYS H H 33 7.245 7.827 -0.582 1
1 303 . 18 1 1 A 33 33 LYS HA H 33 4.151 4.154 -0.003 1
1 312 . 18 1 1 A 33 33 LYS C C 33 178.380 177.164 1.216 1
1 313 . 18 1 1 A 33 33 LYS CA C 33 58.671 58.255 0.416 1
1 314 . 18 1 1 A 33 33 LYS CB C 33 32.152 32.290 -0.138 1
1 318 . 18 1 1 A 33 33 LYS N N 33 117.710 119.083 -1.373 1
1 319 . 18 1 1 A 34 34 THR H H 34 7.753 7.500 0.253 1
1 320 . 18 1 1 A 34 34 THR HA H 34 4.151 4.428 -0.277 1
1 325 . 18 1 1 A 34 34 THR C C 34 175.449 174.762 0.687 1
1 326 . 18 1 1 A 34 34 THR CA C 34 63.751 61.638 2.113 1
1 327 . 18 1 1 A 34 34 THR CB C 34 69.354 69.077 0.277 1
1 329 . 18 1 1 A 34 34 THR N N 34 109.516 113.394 -3.878 1
1 330 . 18 1 1 A 35 35 HIS H H 35 7.153 7.398 -0.245 1
1 331 . 18 1 1 A 35 35 HIS HA H 35 4.874 4.731 0.143 1
1 336 . 18 1 1 A 35 35 HIS C C 35 175.240 174.422 0.818 1
1 337 . 18 1 1 A 35 35 HIS CA C 35 55.228 55.223 0.005 1
1 338 . 18 1 1 A 35 35 HIS CB C 35 28.899 29.402 -0.503 1
1 341 . 18 1 1 A 35 35 HIS N N 35 118.672 120.664 -1.992 1
1 342 . 18 1 1 A 36 36 SER H H 36 7.936 8.074 -0.138 1
1 345 . 18 1 1 A 36 36 SER C C 36 175.155 173.480 1.675 1
1 346 . 18 1 1 A 36 36 SER CA C 36 58.865 58.957 -0.092 1
1 347 . 18 1 1 A 36 36 SER CB C 36 63.926 61.460 2.466 1
1 348 . 18 1 1 A 36 36 SER N N 36 115.177 113.239 1.938 1
1 349 . 18 1 1 A 37 37 GLY HA2 H 37 4.000 4.078 -0.078 1
1 350 . 18 1 1 A 37 37 GLY HA3 H 37 3.924 4.083 -0.159 1
1 351 . 18 1 1 A 37 37 GLY C C 37 174.151 172.400 1.751 1
1 352 . 18 1 1 A 37 37 GLY CA C 37 45.327 44.408 0.919 1
1 353 . 18 1 1 A 38 38 GLN H H 38 8.214 8.396 -0.182 1
1 354 . 18 1 1 A 38 38 GLN HA H 38 4.419 4.510 -0.091 1
1 360 . 18 1 1 A 38 38 GLN C C 38 176.047 175.491 0.556 1
1 361 . 18 1 1 A 38 38 GLN CA C 38 55.808 55.706 0.102 1
1 362 . 18 1 1 A 38 38 GLN CB C 38 29.587 30.266 -0.679 1
1 364 . 18 1 1 A 38 38 GLN N N 38 119.770 120.836 -1.066 1
1 366 . 18 1 1 A 39 39 SER H H 39 8.420 8.770 -0.350 1
1 367 . 18 1 1 A 39 39 SER HA H 39 4.510 4.695 -0.185 1
1 370 . 18 1 1 A 39 39 SER C C 39 174.504 173.476 1.028 1
1 371 . 18 1 1 A 39 39 SER CA C 39 58.371 57.600 0.771 1
1 372 . 18 1 1 A 39 39 SER CB C 39 64.007 63.141 0.866 1
1 373 . 18 1 1 A 39 39 SER N N 39 117.120 120.243 -3.123 1
1 374 . 18 1 1 A 40 40 GLY H H 40 8.269 8.013 0.256 1
1 375 . 18 1 1 A 40 40 GLY HA2 H 40 4.108 4.119 -0.011 1
1 376 . 18 1 1 A 40 40 GLY HA3 H 40 4.182 4.120 0.062 1
1 377 . 18 1 1 A 40 40 GLY C C 40 171.768 172.191 -0.423 1
1 378 . 18 1 1 A 40 40 GLY CA C 40 44.645 44.397 0.248 1
1 379 . 18 1 1 A 40 40 GLY N N 40 110.759 113.379 -2.620 1
1 380 . 18 1 1 A 41 41 PRO HA H 41 4.490 4.647 -0.157 1
1 387 . 18 1 1 A 41 41 PRO C C 41 177.377 175.823 1.554 1
1 388 . 18 1 1 A 41 41 PRO CA C 41 63.244 62.573 0.671 1
1 389 . 18 1 1 A 41 41 PRO CB C 41 32.185 33.375 -1.190 1
1 392 . 18 1 1 A 42 42 SER H H 42 8.514 8.468 0.046 1
1 393 . 18 1 1 A 42 42 SER C C 42 174.655 172.160 2.495 1
1 394 . 18 1 1 A 42 42 SER CA C 42 58.447 57.410 1.037 1
1 395 . 18 1 1 A 42 42 SER CB C 42 64.027 66.376 -2.349 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 4.008 4.141 -0.133 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.008 4.142 -0.134 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.487 172.461 2.026 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.536 45.594 -0.058 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.161 9.043 -0.882 1
1 6 . 19 1 1 A 8 8 THR HA H 8 4.393 5.033 -0.640 1
1 11 . 19 1 1 A 8 8 THR C C 8 175.248 173.626 1.622 1
1 12 . 19 1 1 A 8 8 THR CA C 8 61.821 60.041 1.780 1
1 13 . 19 1 1 A 8 8 THR CB C 8 69.873 70.546 -0.673 1
1 15 . 19 1 1 A 8 8 THR N N 8 112.733 118.736 -6.003 1
1 16 . 19 1 1 A 9 9 GLY H H 9 8.469 8.417 0.052 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 4.008 4.188 -0.180 1
1 18 . 19 1 1 A 9 9 GLY HA3 H 9 4.008 4.188 -0.180 1
1 19 . 19 1 1 A 9 9 GLY C C 9 174.052 172.526 1.526 1
1 20 . 19 1 1 A 9 9 GLY CA C 9 45.528 45.747 -0.219 1
1 21 . 19 1 1 A 9 9 GLY N N 9 111.035 114.007 -2.972 1
1 22 . 19 1 1 A 10 10 GLU H H 10 8.214 9.027 -0.813 1
1 23 . 19 1 1 A 10 10 GLU HA H 10 4.246 5.009 -0.763 1
1 28 . 19 1 1 A 10 10 GLU C C 10 175.942 174.926 1.016 1
1 29 . 19 1 1 A 10 10 GLU CA C 10 56.603 54.791 1.812 1
1 30 . 19 1 1 A 10 10 GLU CB C 10 30.592 33.435 -2.843 1
1 32 . 19 1 1 A 10 10 GLU N N 10 119.967 121.679 -1.712 1
1 33 . 19 1 1 A 11 11 ASN H H 11 8.407 8.875 -0.468 1
1 34 . 19 1 1 A 11 11 ASN HA H 11 4.947 5.403 -0.456 1
1 39 . 19 1 1 A 11 11 ASN C C 11 172.759 173.983 -1.224 1
1 40 . 19 1 1 A 11 11 ASN CA C 11 51.229 50.477 0.752 1
1 41 . 19 1 1 A 11 11 ASN CB C 11 39.486 39.291 0.195 1
1 42 . 19 1 1 A 11 11 ASN N N 11 119.687 125.074 -5.387 1
1 44 . 19 1 1 A 12 12 PRO HA H 12 4.295 4.387 -0.092 1
1 51 . 19 1 1 A 12 12 PRO C C 12 176.280 175.716 0.564 1
1 52 . 19 1 1 A 12 12 PRO CA C 12 63.512 63.975 -0.463 1
1 53 . 19 1 1 A 12 12 PRO CB C 12 32.183 31.229 0.954 1
1 56 . 19 1 1 A 13 13 TYR H H 13 8.160 7.575 0.585 1
1 57 . 19 1 1 A 13 13 TYR HA H 13 4.694 5.004 -0.310 1
1 64 . 19 1 1 A 13 13 TYR C C 13 173.960 174.217 -0.257 1
1 65 . 19 1 1 A 13 13 TYR CA C 13 56.912 56.160 0.752 1
1 66 . 19 1 1 A 13 13 TYR CB C 13 38.357 38.770 -0.413 1
1 71 . 19 1 1 A 13 13 TYR N N 13 118.775 118.196 0.579 1
1 72 . 19 1 1 A 14 14 GLU H H 14 8.335 9.101 -0.766 1
1 73 . 19 1 1 A 14 14 GLU HA H 14 5.017 5.282 -0.265 1
1 78 . 19 1 1 A 14 14 GLU C C 14 175.182 175.797 -0.615 1
1 79 . 19 1 1 A 14 14 GLU CA C 14 54.455 54.968 -0.513 1
1 80 . 19 1 1 A 14 14 GLU CB C 14 33.214 31.866 1.348 1
1 82 . 19 1 1 A 14 14 GLU N N 14 123.792 125.206 -1.414 1
1 83 . 19 1 1 A 15 15 CYS H H 15 9.398 8.788 0.610 1
1 84 . 19 1 1 A 15 15 CYS HA H 15 4.648 4.466 0.182 1
1 87 . 19 1 1 A 15 15 CYS C C 15 177.220 175.836 1.384 1
1 88 . 19 1 1 A 15 15 CYS CA C 15 59.337 60.391 -1.054 1
1 89 . 19 1 1 A 15 15 CYS CB C 15 29.644 29.575 0.069 1
1 90 . 19 1 1 A 15 15 CYS N N 15 127.444 125.542 1.902 1
1 91 . 19 1 1 A 16 16 CYS H H 16 9.319 9.172 0.147 1
1 92 . 19 1 1 A 16 16 CYS HA H 16 4.475 4.229 0.246 1
1 95 . 19 1 1 A 16 16 CYS C C 16 174.596 176.993 -2.397 1
1 96 . 19 1 1 A 16 16 CYS CA C 16 60.515 61.186 -0.671 1
1 97 . 19 1 1 A 16 16 CYS CB C 16 27.201 27.331 -0.130 1
1 98 . 19 1 1 A 16 16 CYS N N 16 130.435 126.963 3.472 1
1 99 . 19 1 1 A 17 17 GLU H H 17 8.688 8.270 0.418 1
1 100 . 19 1 1 A 17 17 GLU HA H 17 4.287 3.981 0.306 1
1 105 . 19 1 1 A 17 17 GLU C C 17 177.134 178.100 -0.966 1
1 106 . 19 1 1 A 17 17 GLU CA C 17 58.287 59.454 -1.167 1
1 107 . 19 1 1 A 17 17 GLU CB C 17 29.747 28.843 0.904 1
1 109 . 19 1 1 A 17 17 GLU N N 17 122.479 120.459 2.020 1
1 110 . 19 1 1 A 18 18 CYS H H 18 7.912 7.910 0.002 1
1 111 . 19 1 1 A 18 18 CYS HA H 18 5.182 4.563 0.619 1
1 114 . 19 1 1 A 18 18 CYS C C 18 176.224 175.255 0.969 1
1 115 . 19 1 1 A 18 18 CYS CA C 18 58.452 59.619 -1.167 1
1 116 . 19 1 1 A 18 18 CYS CB C 18 32.577 29.793 2.784 1
1 117 . 19 1 1 A 18 18 CYS N N 18 114.583 114.980 -0.397 1
1 118 . 19 1 1 A 19 19 GLY H H 19 8.302 7.704 0.598 1
1 119 . 19 1 1 A 19 19 GLY HA2 H 19 3.918 4.071 -0.153 1
1 120 . 19 1 1 A 19 19 GLY HA3 H 19 4.235 4.084 0.151 1
1 121 . 19 1 1 A 19 19 GLY C C 19 173.879 174.300 -0.421 1
1 122 . 19 1 1 A 19 19 GLY CA C 19 46.133 45.213 0.920 1
1 123 . 19 1 1 A 19 19 GLY N N 19 113.493 110.288 3.205 1
1 124 . 19 1 1 A 20 20 LYS H H 20 7.918 7.932 -0.014 1
1 125 . 19 1 1 A 20 20 LYS HA H 20 4.006 4.577 -0.571 1
1 134 . 19 1 1 A 20 20 LYS C C 20 174.253 175.269 -1.016 1
1 135 . 19 1 1 A 20 20 LYS CA C 20 58.177 55.294 2.883 1
1 136 . 19 1 1 A 20 20 LYS CB C 20 33.916 34.102 -0.186 1
1 140 . 19 1 1 A 20 20 LYS N N 20 122.419 121.441 0.978 1
1 141 . 19 1 1 A 21 21 VAL H H 21 7.565 8.116 -0.551 1
1 142 . 19 1 1 A 21 21 VAL HA H 21 4.798 5.111 -0.313 1
1 150 . 19 1 1 A 21 21 VAL C C 21 175.151 174.156 0.995 1
1 151 . 19 1 1 A 21 21 VAL CA C 21 60.194 60.284 -0.090 1
1 152 . 19 1 1 A 21 21 VAL CB C 21 34.074 35.560 -1.486 1
1 155 . 19 1 1 A 21 21 VAL N N 21 116.838 123.530 -6.692 1
1 156 . 19 1 1 A 22 22 PHE H H 22 8.603 8.656 -0.053 1
1 157 . 19 1 1 A 22 22 PHE HA H 22 4.787 5.011 -0.224 1
1 165 . 19 1 1 A 22 22 PHE C C 22 175.198 175.508 -0.310 1
1 166 . 19 1 1 A 22 22 PHE CA C 22 56.970 56.477 0.493 1
1 167 . 19 1 1 A 22 22 PHE CB C 22 43.313 43.694 -0.381 1
1 173 . 19 1 1 A 22 22 PHE N N 22 121.088 123.838 -2.750 1
1 174 . 19 1 1 A 23 23 SER H H 23 8.908 9.054 -0.146 1
1 175 . 19 1 1 A 23 23 SER HA H 23 4.678 4.582 0.096 1
1 178 . 19 1 1 A 23 23 SER C C 23 174.535 174.696 -0.161 1
1 179 . 19 1 1 A 23 23 SER CA C 23 60.208 59.398 0.810 1
1 180 . 19 1 1 A 23 23 SER CB C 23 64.284 63.753 0.531 1
1 181 . 19 1 1 A 23 23 SER N N 23 115.507 115.170 0.337 1
1 182 . 19 1 1 A 24 24 ARG H H 24 7.696 7.811 -0.115 1
1 183 . 19 1 1 A 24 24 ARG HA H 24 4.727 4.612 0.115 1
1 190 . 19 1 1 A 24 24 ARG C C 24 176.245 175.742 0.503 1
1 191 . 19 1 1 A 24 24 ARG CA C 24 54.240 54.165 0.075 1
1 192 . 19 1 1 A 24 24 ARG CB C 24 35.386 32.671 2.715 1
1 195 . 19 1 1 A 24 24 ARG N N 24 117.322 120.359 -3.037 1
1 196 . 19 1 1 A 25 25 LYS H H 25 8.456 7.881 0.575 1
1 197 . 19 1 1 A 25 25 LYS HA H 25 3.035 3.178 -0.143 1
1 206 . 19 1 1 A 25 25 LYS C C 25 177.886 177.546 0.340 1
1 207 . 19 1 1 A 25 25 LYS CA C 25 59.309 59.784 -0.475 1
1 208 . 19 1 1 A 25 25 LYS CB C 25 31.983 31.641 0.342 1
1 212 . 19 1 1 A 25 25 LYS N N 25 125.034 125.378 -0.344 1
1 213 . 19 1 1 A 26 26 ASP H H 26 8.540 8.118 0.422 1
1 214 . 19 1 1 A 26 26 ASP HA H 26 4.142 4.160 -0.018 1
1 217 . 19 1 1 A 26 26 ASP C C 26 178.695 178.656 0.039 1
1 218 . 19 1 1 A 26 26 ASP CA C 26 56.780 57.429 -0.649 1
1 219 . 19 1 1 A 26 26 ASP CB C 26 39.330 40.048 -0.718 1
1 220 . 19 1 1 A 26 26 ASP N N 26 114.989 119.179 -4.190 1
1 221 . 19 1 1 A 27 27 GLN H H 27 6.981 8.167 -1.186 1
1 222 . 19 1 1 A 27 27 GLN HA H 27 3.987 4.001 -0.014 1
1 229 . 19 1 1 A 27 27 GLN C C 27 178.473 177.959 0.514 1
1 230 . 19 1 1 A 27 27 GLN CA C 27 57.612 58.643 -1.031 1
1 231 . 19 1 1 A 27 27 GLN CB C 27 28.915 28.491 0.424 1
1 233 . 19 1 1 A 27 27 GLN N N 27 119.394 118.062 1.332 1
1 235 . 19 1 1 A 28 28 LEU H H 28 6.969 7.373 -0.404 1
1 236 . 19 1 1 A 28 28 LEU HA H 28 3.249 2.735 0.514 1
1 246 . 19 1 1 A 28 28 LEU C C 28 177.627 178.311 -0.684 1
1 247 . 19 1 1 A 28 28 LEU CA C 28 57.956 57.418 0.538 1
1 248 . 19 1 1 A 28 28 LEU CB C 28 40.568 41.307 -0.739 1
1 252 . 19 1 1 A 28 28 LEU N N 28 121.993 121.408 0.585 1
1 253 . 19 1 1 A 29 29 VAL H H 29 8.261 7.922 0.339 1
1 254 . 19 1 1 A 29 29 VAL HA H 29 3.704 3.403 0.301 1
1 262 . 19 1 1 A 29 29 VAL C C 29 179.259 177.646 1.613 1
1 263 . 19 1 1 A 29 29 VAL CA C 29 66.532 66.914 -0.382 1
1 264 . 19 1 1 A 29 29 VAL CB C 29 31.765 31.493 0.272 1
1 267 . 19 1 1 A 29 29 VAL N N 29 119.585 119.606 -0.021 1
1 268 . 19 1 1 A 30 30 SER H H 30 7.721 7.819 -0.098 1
1 269 . 19 1 1 A 30 30 SER HA H 30 4.104 3.985 0.119 1
1 272 . 19 1 1 A 30 30 SER C C 30 177.207 176.264 0.943 1
1 273 . 19 1 1 A 30 30 SER CA C 30 61.647 62.492 -0.845 1
1 274 . 19 1 1 A 30 30 SER CB C 30 62.575 63.269 -0.694 1
1 275 . 19 1 1 A 30 30 SER N N 30 113.762 115.639 -1.877 1
1 276 . 19 1 1 A 31 31 HIS H H 31 7.676 7.221 0.455 1
1 277 . 19 1 1 A 31 31 HIS HA H 31 4.271 4.212 0.059 1
1 282 . 19 1 1 A 31 31 HIS C C 31 177.982 176.675 1.307 1
1 283 . 19 1 1 A 31 31 HIS CA C 31 59.051 59.309 -0.258 1
1 284 . 19 1 1 A 31 31 HIS CB C 31 28.436 29.918 -1.482 1
1 287 . 19 1 1 A 31 31 HIS N N 31 120.492 121.530 -1.038 1
1 288 . 19 1 1 A 32 32 GLN H H 32 8.881 8.601 0.280 1
1 289 . 19 1 1 A 32 32 GLN HA H 32 3.718 3.748 -0.030 1
1 296 . 19 1 1 A 32 32 GLN C C 32 177.983 178.526 -0.543 1
1 297 . 19 1 1 A 32 32 GLN CA C 32 59.912 59.092 0.820 1
1 298 . 19 1 1 A 32 32 GLN CB C 32 28.124 28.362 -0.238 1
1 300 . 19 1 1 A 32 32 GLN N N 32 120.621 117.072 3.549 1
1 302 . 19 1 1 A 33 33 LYS H H 33 7.245 7.703 -0.458 1
1 303 . 19 1 1 A 33 33 LYS HA H 33 4.151 3.873 0.278 1
1 312 . 19 1 1 A 33 33 LYS C C 33 178.380 178.450 -0.070 1
1 313 . 19 1 1 A 33 33 LYS CA C 33 58.671 59.316 -0.645 1
1 314 . 19 1 1 A 33 33 LYS CB C 33 32.152 32.359 -0.207 1
1 318 . 19 1 1 A 33 33 LYS N N 33 117.710 119.192 -1.482 1
1 319 . 19 1 1 A 34 34 THR H H 34 7.753 8.307 -0.554 1
1 320 . 19 1 1 A 34 34 THR HA H 34 4.151 3.941 0.210 1
1 325 . 19 1 1 A 34 34 THR C C 34 175.449 175.327 0.122 1
1 326 . 19 1 1 A 34 34 THR CA C 34 63.751 65.400 -1.649 1
1 327 . 19 1 1 A 34 34 THR CB C 34 69.354 67.896 1.458 1
1 329 . 19 1 1 A 34 34 THR N N 34 109.516 112.581 -3.065 1
1 330 . 19 1 1 A 35 35 HIS H H 35 7.153 7.518 -0.365 1
1 331 . 19 1 1 A 35 35 HIS HA H 35 4.874 4.509 0.365 1
1 336 . 19 1 1 A 35 35 HIS C C 35 175.240 175.048 0.192 1
1 337 . 19 1 1 A 35 35 HIS CA C 35 55.228 56.279 -1.051 1
1 338 . 19 1 1 A 35 35 HIS CB C 35 28.899 30.441 -1.542 1
1 341 . 19 1 1 A 35 35 HIS N N 35 118.672 120.589 -1.917 1
1 342 . 19 1 1 A 36 36 SER H H 36 7.936 8.670 -0.734 1
1 345 . 19 1 1 A 36 36 SER C C 36 175.155 174.882 0.273 1
1 346 . 19 1 1 A 36 36 SER CA C 36 58.865 58.889 -0.024 1
1 347 . 19 1 1 A 36 36 SER CB C 36 63.926 63.840 0.086 1
1 348 . 19 1 1 A 36 36 SER N N 36 115.177 115.787 -0.610 1
1 349 . 19 1 1 A 37 37 GLY HA2 H 37 4.000 3.995 0.005 1
1 350 . 19 1 1 A 37 37 GLY HA3 H 37 3.924 3.998 -0.074 1
1 351 . 19 1 1 A 37 37 GLY C C 37 174.151 175.179 -1.028 1
1 352 . 19 1 1 A 37 37 GLY CA C 37 45.327 46.569 -1.242 1
1 353 . 19 1 1 A 38 38 GLN H H 38 8.214 8.029 0.185 1
1 354 . 19 1 1 A 38 38 GLN HA H 38 4.419 4.169 0.250 1
1 360 . 19 1 1 A 38 38 GLN C C 38 176.047 176.741 -0.694 1
1 361 . 19 1 1 A 38 38 GLN CA C 38 55.808 58.172 -2.364 1
1 362 . 19 1 1 A 38 38 GLN CB C 38 29.587 28.978 0.609 1
1 364 . 19 1 1 A 38 38 GLN N N 38 119.770 120.709 -0.939 1
1 366 . 19 1 1 A 39 39 SER H H 39 8.420 7.637 0.783 1
1 367 . 19 1 1 A 39 39 SER HA H 39 4.510 4.275 0.235 1
1 370 . 19 1 1 A 39 39 SER C C 39 174.504 174.064 0.440 1
1 371 . 19 1 1 A 39 39 SER CA C 39 58.371 59.385 -1.014 1
1 372 . 19 1 1 A 39 39 SER CB C 39 64.007 63.539 0.468 1
1 373 . 19 1 1 A 39 39 SER N N 39 117.120 115.573 1.547 1
1 374 . 19 1 1 A 40 40 GLY H H 40 8.269 8.228 0.041 1
1 375 . 19 1 1 A 40 40 GLY HA2 H 40 4.108 4.196 -0.088 1
1 376 . 19 1 1 A 40 40 GLY HA3 H 40 4.182 4.199 -0.017 1
1 377 . 19 1 1 A 40 40 GLY C C 40 171.768 174.326 -2.558 1
1 378 . 19 1 1 A 40 40 GLY CA C 40 44.645 45.198 -0.553 1
1 379 . 19 1 1 A 40 40 GLY N N 40 110.759 112.309 -1.550 1
1 380 . 19 1 1 A 41 41 PRO HA H 41 4.490 4.483 0.007 1
1 387 . 19 1 1 A 41 41 PRO C C 41 177.377 176.458 0.919 1
1 388 . 19 1 1 A 41 41 PRO CA C 41 63.244 64.281 -1.037 1
1 389 . 19 1 1 A 41 41 PRO CB C 41 32.185 31.867 0.318 1
1 392 . 19 1 1 A 42 42 SER H H 42 8.514 7.650 0.864 1
1 393 . 19 1 1 A 42 42 SER C C 42 174.655 174.485 0.170 1
1 394 . 19 1 1 A 42 42 SER CA C 42 58.447 57.577 0.870 1
1 395 . 19 1 1 A 42 42 SER CB C 42 64.027 64.846 -0.819 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 4.008 4.192 -0.184 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.008 4.192 -0.184 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.487 172.596 1.891 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.536 44.193 1.343 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.161 8.686 -0.525 1
1 6 . 20 1 1 A 8 8 THR HA H 8 4.393 4.780 -0.387 1
1 11 . 20 1 1 A 8 8 THR C C 8 175.248 174.001 1.247 1
1 12 . 20 1 1 A 8 8 THR CA C 8 61.821 60.805 1.016 1
1 13 . 20 1 1 A 8 8 THR CB C 8 69.873 71.316 -1.443 1
1 15 . 20 1 1 A 8 8 THR N N 8 112.733 114.759 -2.026 1
1 16 . 20 1 1 A 9 9 GLY H H 9 8.469 8.448 0.021 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 4.008 4.169 -0.161 1
1 18 . 20 1 1 A 9 9 GLY HA3 H 9 4.008 4.176 -0.168 1
1 19 . 20 1 1 A 9 9 GLY C C 9 174.052 172.643 1.409 1
1 20 . 20 1 1 A 9 9 GLY CA C 9 45.528 44.701 0.827 1
1 21 . 20 1 1 A 9 9 GLY N N 9 111.035 113.375 -2.340 1
1 22 . 20 1 1 A 10 10 GLU H H 10 8.214 8.672 -0.458 1
1 23 . 20 1 1 A 10 10 GLU HA H 10 4.246 4.840 -0.594 1
1 28 . 20 1 1 A 10 10 GLU C C 10 175.942 174.951 0.991 1
1 29 . 20 1 1 A 10 10 GLU CA C 10 56.603 55.294 1.309 1
1 30 . 20 1 1 A 10 10 GLU CB C 10 30.592 30.448 0.144 1
1 32 . 20 1 1 A 10 10 GLU N N 10 119.967 124.430 -4.463 1
1 33 . 20 1 1 A 11 11 ASN H H 11 8.407 8.505 -0.098 1
1 34 . 20 1 1 A 11 11 ASN HA H 11 4.947 5.183 -0.236 1
1 39 . 20 1 1 A 11 11 ASN C C 11 172.759 175.012 -2.253 1
1 40 . 20 1 1 A 11 11 ASN CA C 11 51.229 50.809 0.420 1
1 41 . 20 1 1 A 11 11 ASN CB C 11 39.486 38.952 0.534 1
1 42 . 20 1 1 A 11 11 ASN N N 11 119.687 125.502 -5.815 1
1 44 . 20 1 1 A 12 12 PRO HA H 12 4.295 4.297 -0.002 1
1 51 . 20 1 1 A 12 12 PRO C C 12 176.280 175.496 0.784 1
1 52 . 20 1 1 A 12 12 PRO CA C 12 63.512 63.785 -0.273 1
1 53 . 20 1 1 A 12 12 PRO CB C 12 32.183 30.957 1.226 1
1 56 . 20 1 1 A 13 13 TYR H H 13 8.160 7.536 0.624 1
1 57 . 20 1 1 A 13 13 TYR HA H 13 4.694 5.243 -0.549 1
1 64 . 20 1 1 A 13 13 TYR C C 13 173.960 174.155 -0.195 1
1 65 . 20 1 1 A 13 13 TYR CA C 13 56.912 56.583 0.329 1
1 66 . 20 1 1 A 13 13 TYR CB C 13 38.357 40.840 -2.483 1
1 71 . 20 1 1 A 13 13 TYR N N 13 118.775 118.926 -0.151 1
1 72 . 20 1 1 A 14 14 GLU H H 14 8.335 9.024 -0.689 1
1 73 . 20 1 1 A 14 14 GLU HA H 14 5.017 5.299 -0.282 1
1 78 . 20 1 1 A 14 14 GLU C C 14 175.182 174.809 0.373 1
1 79 . 20 1 1 A 14 14 GLU CA C 14 54.455 54.831 -0.376 1
1 80 . 20 1 1 A 14 14 GLU CB C 14 33.214 33.548 -0.334 1
1 82 . 20 1 1 A 14 14 GLU N N 14 123.792 125.453 -1.661 1
1 83 . 20 1 1 A 15 15 CYS H H 15 9.398 9.161 0.237 1
1 84 . 20 1 1 A 15 15 CYS HA H 15 4.648 4.723 -0.075 1
1 87 . 20 1 1 A 15 15 CYS C C 15 177.220 176.062 1.158 1
1 88 . 20 1 1 A 15 15 CYS CA C 15 59.337 58.302 1.035 1
1 89 . 20 1 1 A 15 15 CYS CB C 15 29.644 29.110 0.534 1
1 90 . 20 1 1 A 15 15 CYS N N 15 127.444 124.758 2.686 1
1 91 . 20 1 1 A 16 16 CYS H H 16 9.319 9.105 0.214 1
1 92 . 20 1 1 A 16 16 CYS HA H 16 4.475 4.372 0.103 1
1 95 . 20 1 1 A 16 16 CYS C C 16 174.596 176.750 -2.154 1
1 96 . 20 1 1 A 16 16 CYS CA C 16 60.515 60.721 -0.206 1
1 97 . 20 1 1 A 16 16 CYS CB C 16 27.201 27.889 -0.688 1
1 98 . 20 1 1 A 16 16 CYS N N 16 130.435 127.020 3.415 1
1 99 . 20 1 1 A 17 17 GLU H H 17 8.688 8.268 0.420 1
1 100 . 20 1 1 A 17 17 GLU HA H 17 4.287 4.059 0.228 1
1 105 . 20 1 1 A 17 17 GLU C C 17 177.134 177.772 -0.638 1
1 106 . 20 1 1 A 17 17 GLU CA C 17 58.287 59.345 -1.058 1
1 107 . 20 1 1 A 17 17 GLU CB C 17 29.747 29.252 0.495 1
1 109 . 20 1 1 A 17 17 GLU N N 17 122.479 120.603 1.876 1
1 110 . 20 1 1 A 18 18 CYS H H 18 7.912 7.377 0.535 1
1 111 . 20 1 1 A 18 18 CYS HA H 18 5.182 4.782 0.400 1
1 114 . 20 1 1 A 18 18 CYS C C 18 176.224 175.549 0.675 1
1 115 . 20 1 1 A 18 18 CYS CA C 18 58.452 59.325 -0.873 1
1 116 . 20 1 1 A 18 18 CYS CB C 18 32.577 30.222 2.355 1
1 117 . 20 1 1 A 18 18 CYS N N 18 114.583 114.779 -0.196 1
1 118 . 20 1 1 A 19 19 GLY H H 19 8.302 8.273 0.029 1
1 119 . 20 1 1 A 19 19 GLY HA2 H 19 3.918 4.073 -0.155 1
1 120 . 20 1 1 A 19 19 GLY HA3 H 19 4.235 4.074 0.161 1
1 121 . 20 1 1 A 19 19 GLY C C 19 173.879 174.168 -0.289 1
1 122 . 20 1 1 A 19 19 GLY CA C 19 46.133 45.796 0.337 1
1 123 . 20 1 1 A 19 19 GLY N N 19 113.493 109.434 4.059 1
1 124 . 20 1 1 A 20 20 LYS H H 20 7.918 7.505 0.413 1
1 125 . 20 1 1 A 20 20 LYS HA H 20 4.006 4.495 -0.489 1
1 134 . 20 1 1 A 20 20 LYS C C 20 174.253 175.272 -1.019 1
1 135 . 20 1 1 A 20 20 LYS CA C 20 58.177 54.971 3.206 1
1 136 . 20 1 1 A 20 20 LYS CB C 20 33.916 34.434 -0.518 1
1 140 . 20 1 1 A 20 20 LYS N N 20 122.419 119.775 2.644 1
1 141 . 20 1 1 A 21 21 VAL H H 21 7.565 8.596 -1.031 1
1 142 . 20 1 1 A 21 21 VAL HA H 21 4.798 4.655 0.143 1
1 150 . 20 1 1 A 21 21 VAL C C 21 175.151 174.826 0.325 1
1 151 . 20 1 1 A 21 21 VAL CA C 21 60.194 61.699 -1.505 1
1 152 . 20 1 1 A 21 21 VAL CB C 21 34.074 32.264 1.810 1
1 155 . 20 1 1 A 21 21 VAL N N 21 116.838 125.010 -8.172 1
1 156 . 20 1 1 A 22 22 PHE H H 22 8.603 8.931 -0.328 1
1 157 . 20 1 1 A 22 22 PHE HA H 22 4.787 4.890 -0.103 1
1 165 . 20 1 1 A 22 22 PHE C C 22 175.198 175.775 -0.577 1
1 166 . 20 1 1 A 22 22 PHE CA C 22 56.970 56.812 0.158 1
1 167 . 20 1 1 A 22 22 PHE CB C 22 43.313 42.776 0.537 1
1 173 . 20 1 1 A 22 22 PHE N N 22 121.088 123.253 -2.165 1
1 174 . 20 1 1 A 23 23 SER H H 23 8.908 8.965 -0.057 1
1 175 . 20 1 1 A 23 23 SER HA H 23 4.678 4.434 0.244 1
1 178 . 20 1 1 A 23 23 SER C C 23 174.535 173.577 0.958 1
1 179 . 20 1 1 A 23 23 SER CA C 23 60.208 61.219 -1.011 1
1 180 . 20 1 1 A 23 23 SER CB C 23 64.284 63.499 0.785 1
1 181 . 20 1 1 A 23 23 SER N N 23 115.507 118.514 -3.007 1
1 182 . 20 1 1 A 24 24 ARG H H 24 7.696 7.949 -0.253 1
1 183 . 20 1 1 A 24 24 ARG HA H 24 4.727 4.580 0.147 1
1 190 . 20 1 1 A 24 24 ARG C C 24 176.245 175.926 0.319 1
1 191 . 20 1 1 A 24 24 ARG CA C 24 54.240 54.381 -0.141 1
1 192 . 20 1 1 A 24 24 ARG CB C 24 35.386 32.710 2.676 1
1 195 . 20 1 1 A 24 24 ARG N N 24 117.322 118.356 -1.034 1
1 196 . 20 1 1 A 25 25 LYS H H 25 8.456 8.102 0.354 1
1 197 . 20 1 1 A 25 25 LYS HA H 25 3.035 3.247 -0.212 1
1 206 . 20 1 1 A 25 25 LYS C C 25 177.886 177.695 0.191 1
1 207 . 20 1 1 A 25 25 LYS CA C 25 59.309 59.891 -0.582 1
1 208 . 20 1 1 A 25 25 LYS CB C 25 31.983 31.457 0.526 1
1 212 . 20 1 1 A 25 25 LYS N N 25 125.034 125.172 -0.138 1
1 213 . 20 1 1 A 26 26 ASP H H 26 8.540 8.176 0.364 1
1 214 . 20 1 1 A 26 26 ASP HA H 26 4.142 4.190 -0.048 1
1 217 . 20 1 1 A 26 26 ASP C C 26 178.695 178.780 -0.085 1
1 218 . 20 1 1 A 26 26 ASP CA C 26 56.780 57.456 -0.676 1
1 219 . 20 1 1 A 26 26 ASP CB C 26 39.330 39.988 -0.658 1
1 220 . 20 1 1 A 26 26 ASP N N 26 114.989 119.007 -4.018 1
1 221 . 20 1 1 A 27 27 GLN H H 27 6.981 8.105 -1.124 1
1 222 . 20 1 1 A 27 27 GLN HA H 27 3.987 4.038 -0.051 1
1 229 . 20 1 1 A 27 27 GLN C C 27 178.473 178.182 0.291 1
1 230 . 20 1 1 A 27 27 GLN CA C 27 57.612 58.724 -1.112 1
1 231 . 20 1 1 A 27 27 GLN CB C 27 28.915 28.453 0.462 1
1 233 . 20 1 1 A 27 27 GLN N N 27 119.394 118.139 1.255 1
1 235 . 20 1 1 A 28 28 LEU H H 28 6.969 7.614 -0.645 1
1 236 . 20 1 1 A 28 28 LEU HA H 28 3.249 2.485 0.764 1
1 246 . 20 1 1 A 28 28 LEU C C 28 177.627 178.324 -0.697 1
1 247 . 20 1 1 A 28 28 LEU CA C 28 57.956 57.258 0.698 1
1 248 . 20 1 1 A 28 28 LEU CB C 28 40.568 41.223 -0.655 1
1 252 . 20 1 1 A 28 28 LEU N N 28 121.993 121.812 0.181 1
1 253 . 20 1 1 A 29 29 VAL H H 29 8.261 7.974 0.287 1
1 254 . 20 1 1 A 29 29 VAL HA H 29 3.704 3.416 0.288 1
1 262 . 20 1 1 A 29 29 VAL C C 29 179.259 178.166 1.093 1
1 263 . 20 1 1 A 29 29 VAL CA C 29 66.532 67.014 -0.482 1
1 264 . 20 1 1 A 29 29 VAL CB C 29 31.765 31.504 0.261 1
1 267 . 20 1 1 A 29 29 VAL N N 29 119.585 119.548 0.037 1
1 268 . 20 1 1 A 30 30 SER H H 30 7.721 7.725 -0.004 1
1 269 . 20 1 1 A 30 30 SER HA H 30 4.104 4.124 -0.020 1
1 272 . 20 1 1 A 30 30 SER C C 30 177.207 176.782 0.425 1
1 273 . 20 1 1 A 30 30 SER CA C 30 61.647 60.456 1.191 1
1 274 . 20 1 1 A 30 30 SER CB C 30 62.575 63.215 -0.640 1
1 275 . 20 1 1 A 30 30 SER N N 30 113.762 114.722 -0.960 1
1 276 . 20 1 1 A 31 31 HIS H H 31 7.676 7.446 0.230 1
1 277 . 20 1 1 A 31 31 HIS HA H 31 4.271 4.357 -0.086 1
1 282 . 20 1 1 A 31 31 HIS C C 31 177.982 177.504 0.478 1
1 283 . 20 1 1 A 31 31 HIS CA C 31 59.051 59.321 -0.270 1
1 284 . 20 1 1 A 31 31 HIS CB C 31 28.436 29.868 -1.432 1
1 287 . 20 1 1 A 31 31 HIS N N 31 120.492 120.473 0.019 1
1 288 . 20 1 1 A 32 32 GLN H H 32 8.881 8.569 0.312 1
1 289 . 20 1 1 A 32 32 GLN HA H 32 3.718 3.992 -0.274 1
1 296 . 20 1 1 A 32 32 GLN C C 32 177.983 178.869 -0.886 1
1 297 . 20 1 1 A 32 32 GLN CA C 32 59.912 58.809 1.103 1
1 298 . 20 1 1 A 32 32 GLN CB C 32 28.124 28.305 -0.181 1
1 300 . 20 1 1 A 32 32 GLN N N 32 120.621 117.984 2.637 1
1 302 . 20 1 1 A 33 33 LYS H H 33 7.245 7.511 -0.266 1
1 303 . 20 1 1 A 33 33 LYS HA H 33 4.151 4.108 0.043 1
1 312 . 20 1 1 A 33 33 LYS C C 33 178.380 177.445 0.935 1
1 313 . 20 1 1 A 33 33 LYS CA C 33 58.671 59.109 -0.438 1
1 314 . 20 1 1 A 33 33 LYS CB C 33 32.152 32.502 -0.350 1
1 318 . 20 1 1 A 33 33 LYS N N 33 117.710 119.636 -1.926 1
1 319 . 20 1 1 A 34 34 THR H H 34 7.753 7.510 0.243 1
1 320 . 20 1 1 A 34 34 THR HA H 34 4.151 4.327 -0.176 1
1 325 . 20 1 1 A 34 34 THR C C 34 175.449 173.699 1.750 1
1 326 . 20 1 1 A 34 34 THR CA C 34 63.751 61.757 1.994 1
1 327 . 20 1 1 A 34 34 THR CB C 34 69.354 68.476 0.878 1
1 329 . 20 1 1 A 34 34 THR N N 34 109.516 112.335 -2.819 1
1 330 . 20 1 1 A 35 35 HIS H H 35 7.153 7.384 -0.231 1
1 331 . 20 1 1 A 35 35 HIS HA H 35 4.874 4.914 -0.040 1
1 336 . 20 1 1 A 35 35 HIS C C 35 175.240 173.613 1.627 1
1 337 . 20 1 1 A 35 35 HIS CA C 35 55.228 54.209 1.019 1
1 338 . 20 1 1 A 35 35 HIS CB C 35 28.899 29.846 -0.947 1
1 341 . 20 1 1 A 35 35 HIS N N 35 118.672 121.300 -2.628 1
1 342 . 20 1 1 A 36 36 SER H H 36 7.936 9.067 -1.131 1
1 345 . 20 1 1 A 36 36 SER C C 36 175.155 174.158 0.997 1
1 346 . 20 1 1 A 36 36 SER CA C 36 58.865 57.912 0.953 1
1 347 . 20 1 1 A 36 36 SER CB C 36 63.926 63.615 0.311 1
1 348 . 20 1 1 A 36 36 SER N N 36 115.177 122.901 -7.724 1
1 349 . 20 1 1 A 37 37 GLY HA2 H 37 4.000 4.114 -0.114 1
1 350 . 20 1 1 A 37 37 GLY HA3 H 37 3.924 4.122 -0.198 1
1 351 . 20 1 1 A 37 37 GLY C C 37 174.151 173.479 0.672 1
1 352 . 20 1 1 A 37 37 GLY CA C 37 45.327 44.103 1.224 1
1 353 . 20 1 1 A 38 38 GLN H H 38 8.214 8.338 -0.124 1
1 354 . 20 1 1 A 38 38 GLN HA H 38 4.419 5.020 -0.601 1
1 360 . 20 1 1 A 38 38 GLN C C 38 176.047 174.428 1.619 1
1 361 . 20 1 1 A 38 38 GLN CA C 38 55.808 54.008 1.800 1
1 362 . 20 1 1 A 38 38 GLN CB C 38 29.587 32.454 -2.867 1
1 364 . 20 1 1 A 38 38 GLN N N 38 119.770 120.365 -0.595 1
1 366 . 20 1 1 A 39 39 SER H H 39 8.420 8.710 -0.290 1
1 367 . 20 1 1 A 39 39 SER HA H 39 4.510 4.801 -0.291 1
1 370 . 20 1 1 A 39 39 SER C C 39 174.504 174.813 -0.309 1
1 371 . 20 1 1 A 39 39 SER CA C 39 58.371 57.952 0.419 1
1 372 . 20 1 1 A 39 39 SER CB C 39 64.007 63.974 0.033 1
1 373 . 20 1 1 A 39 39 SER N N 39 117.120 117.911 -0.791 1
1 374 . 20 1 1 A 40 40 GLY H H 40 8.269 8.405 -0.136 1
1 375 . 20 1 1 A 40 40 GLY HA2 H 40 4.108 4.099 0.009 1
1 376 . 20 1 1 A 40 40 GLY HA3 H 40 4.182 4.100 0.082 1
1 377 . 20 1 1 A 40 40 GLY C C 40 171.768 173.385 -1.617 1
1 378 . 20 1 1 A 40 40 GLY CA C 40 44.645 44.203 0.442 1
1 379 . 20 1 1 A 40 40 GLY N N 40 110.759 113.071 -2.312 1
1 380 . 20 1 1 A 41 41 PRO HA H 41 4.490 4.677 -0.187 1
1 387 . 20 1 1 A 41 41 PRO C C 41 177.377 176.601 0.776 1
1 388 . 20 1 1 A 41 41 PRO CA C 41 63.244 62.303 0.941 1
1 389 . 20 1 1 A 41 41 PRO CB C 41 32.185 29.821 2.364 1
1 392 . 20 1 1 A 42 42 SER H H 42 8.514 8.168 0.346 1
1 393 . 20 1 1 A 42 42 SER C C 42 174.655 173.525 1.130 1
1 394 . 20 1 1 A 42 42 SER CA C 42 58.447 57.711 0.736 1
1 395 . 20 1 1 A 42 42 SER CB C 42 64.027 63.832 0.195 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 36 1.032 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.215 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.479 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.490 1
5 1 1 1 "RMS(OBS, PRED)" HA 39 0.292 1
6 1 1 1 "RMS(OBS, PRED)" N 31 2.418 1
7 1 2 1 "RMS(OBS, PRED)" C 36 0.931 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.113 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.331 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.500 1
11 1 2 1 "RMS(OBS, PRED)" HA 39 0.268 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.823 1
13 1 3 1 "RMS(OBS, PRED)" C 36 1.142 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.328 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.262 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.469 1
17 1 3 1 "RMS(OBS, PRED)" HA 39 0.280 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.770 1
19 1 4 1 "RMS(OBS, PRED)" C 36 1.150 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 0.963 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.270 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.506 1
23 1 4 1 "RMS(OBS, PRED)" HA 39 0.259 1
24 1 4 1 "RMS(OBS, PRED)" N 31 2.821 1
25 1 5 1 "RMS(OBS, PRED)" C 36 1.172 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.150 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.295 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.528 1
29 1 5 1 "RMS(OBS, PRED)" HA 39 0.324 1
30 1 5 1 "RMS(OBS, PRED)" N 31 3.045 1
31 1 6 1 "RMS(OBS, PRED)" C 36 0.922 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.070 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.266 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.547 1
35 1 6 1 "RMS(OBS, PRED)" HA 39 0.260 1
36 1 6 1 "RMS(OBS, PRED)" N 31 3.235 1
37 1 7 1 "RMS(OBS, PRED)" C 36 1.155 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.182 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.290 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.579 1
41 1 7 1 "RMS(OBS, PRED)" HA 39 0.268 1
42 1 7 1 "RMS(OBS, PRED)" N 31 2.673 1
43 1 8 1 "RMS(OBS, PRED)" C 36 1.089 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.371 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.544 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.505 1
47 1 8 1 "RMS(OBS, PRED)" HA 39 0.273 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.731 1
49 1 9 1 "RMS(OBS, PRED)" C 36 0.827 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.175 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.365 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.524 1
53 1 9 1 "RMS(OBS, PRED)" HA 39 0.270 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.662 1
55 1 10 1 "RMS(OBS, PRED)" C 36 1.202 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.105 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.245 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.501 1
59 1 10 1 "RMS(OBS, PRED)" HA 39 0.336 1
60 1 10 1 "RMS(OBS, PRED)" N 31 2.923 1
61 1 11 1 "RMS(OBS, PRED)" C 36 1.148 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.141 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.565 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.534 1
65 1 11 1 "RMS(OBS, PRED)" HA 39 0.274 1
66 1 11 1 "RMS(OBS, PRED)" N 31 2.611 1
67 1 12 1 "RMS(OBS, PRED)" C 36 1.130 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.188 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.522 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.600 1
71 1 12 1 "RMS(OBS, PRED)" HA 39 0.291 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.420 1
73 1 13 1 "RMS(OBS, PRED)" C 36 0.821 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.296 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.349 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.508 1
77 1 13 1 "RMS(OBS, PRED)" HA 39 0.228 1
78 1 13 1 "RMS(OBS, PRED)" N 31 2.742 1
79 1 14 1 "RMS(OBS, PRED)" C 36 1.374 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.330 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.512 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.440 1
83 1 14 1 "RMS(OBS, PRED)" HA 39 0.328 1
84 1 14 1 "RMS(OBS, PRED)" N 31 2.936 1
85 1 15 1 "RMS(OBS, PRED)" C 36 1.034 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.104 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.272 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.528 1
89 1 15 1 "RMS(OBS, PRED)" HA 39 0.297 1
90 1 15 1 "RMS(OBS, PRED)" N 31 2.591 1
91 1 16 1 "RMS(OBS, PRED)" C 36 1.252 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.135 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.232 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.486 1
95 1 16 1 "RMS(OBS, PRED)" HA 39 0.286 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.909 1
97 1 17 1 "RMS(OBS, PRED)" C 36 0.841 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.137 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.424 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.523 1
101 1 17 1 "RMS(OBS, PRED)" HA 39 0.257 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.751 1
103 1 18 1 "RMS(OBS, PRED)" C 36 1.150 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.142 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.334 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.482 1
107 1 18 1 "RMS(OBS, PRED)" HA 39 0.268 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.592 1
109 1 19 1 "RMS(OBS, PRED)" C 36 1.070 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.077 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.157 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.537 1
113 1 19 1 "RMS(OBS, PRED)" HA 39 0.298 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.771 1
115 1 20 1 "RMS(OBS, PRED)" C 36 1.091 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.076 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.265 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.482 1
119 1 20 1 "RMS(OBS, PRED)" HA 39 0.284 1
120 1 20 1 "RMS(OBS, PRED)" N 31 3.182 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 4.008 4.094 -0.086 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.008 4.094 -0.086 2
1 3 . 1 1 A 7 7 GLY C C 7 174.487 173.470 1.017 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.536 45.403 0.133 2
1 5 . 1 1 A 8 8 THR H H 8 8.161 8.372 -0.211 2
1 6 . 1 1 A 8 8 THR HA H 8 4.393 4.657 -0.264 2
1 11 . 1 1 A 8 8 THR C C 8 175.248 174.191 1.057 2
1 12 . 1 1 A 8 8 THR CA C 8 61.821 61.456 0.365 2
1 13 . 1 1 A 8 8 THR CB C 8 69.873 70.182 -0.309 2
1 15 . 1 1 A 8 8 THR N N 8 112.733 114.766 -2.033 2
1 16 . 1 1 A 9 9 GLY H H 9 8.469 8.209 0.260 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 4.008 4.072 -0.064 2
1 18 . 1 1 A 9 9 GLY HA3 H 9 4.008 4.074 -0.066 2
1 19 . 1 1 A 9 9 GLY C C 9 174.052 173.052 1.000 2
1 20 . 1 1 A 9 9 GLY CA C 9 45.528 45.410 0.118 2
1 21 . 1 1 A 9 9 GLY N N 9 111.035 111.343 -0.308 2
1 22 . 1 1 A 10 10 GLU H H 10 8.214 8.566 -0.352 2
1 23 . 1 1 A 10 10 GLU HA H 10 4.246 4.737 -0.491 2
1 28 . 1 1 A 10 10 GLU C C 10 175.942 175.304 0.638 2
1 29 . 1 1 A 10 10 GLU CA C 10 56.603 55.534 1.069 2
1 30 . 1 1 A 10 10 GLU CB C 10 30.592 31.234 -0.642 2
1 32 . 1 1 A 10 10 GLU N N 10 119.967 121.368 -1.401 2
1 33 . 1 1 A 11 11 ASN H H 11 8.407 8.581 -0.174 2
1 34 . 1 1 A 11 11 ASN HA H 11 4.947 5.136 -0.189 2
1 39 . 1 1 A 11 11 ASN C C 11 172.759 174.878 -2.119 2
1 40 . 1 1 A 11 11 ASN CA C 11 51.229 50.639 0.590 2
1 41 . 1 1 A 11 11 ASN CB C 11 39.486 39.145 0.341 2
1 42 . 1 1 A 11 11 ASN N N 11 119.687 122.451 -2.764 2
1 44 . 1 1 A 12 12 PRO HA H 12 4.295 4.331 -0.036 2
1 51 . 1 1 A 12 12 PRO C C 12 176.280 175.712 0.568 2
1 52 . 1 1 A 12 12 PRO CA C 12 63.512 64.056 -0.544 2
1 53 . 1 1 A 12 12 PRO CB C 12 32.183 31.333 0.850 2
1 56 . 1 1 A 13 13 TYR H H 13 8.160 7.515 0.645 2
1 57 . 1 1 A 13 13 TYR HA H 13 4.694 5.148 -0.454 2
1 64 . 1 1 A 13 13 TYR C C 13 173.960 174.259 -0.299 2
1 65 . 1 1 A 13 13 TYR CA C 13 56.912 56.544 0.368 2
1 66 . 1 1 A 13 13 TYR CB C 13 38.357 39.810 -1.453 2
1 71 . 1 1 A 13 13 TYR N N 13 118.775 118.286 0.489 2
1 72 . 1 1 A 14 14 GLU H H 14 8.335 8.997 -0.662 2
1 73 . 1 1 A 14 14 GLU HA H 14 5.017 5.175 -0.158 2
1 78 . 1 1 A 14 14 GLU C C 14 175.182 175.408 -0.226 2
1 79 . 1 1 A 14 14 GLU CA C 14 54.455 54.921 -0.466 2
1 80 . 1 1 A 14 14 GLU CB C 14 33.214 32.783 0.431 2
1 82 . 1 1 A 14 14 GLU N N 14 123.792 125.352 -1.560 2
1 83 . 1 1 A 15 15 CYS H H 15 9.398 9.092 0.306 2
1 84 . 1 1 A 15 15 CYS HA H 15 4.648 4.537 0.111 2
1 87 . 1 1 A 15 15 CYS C C 15 177.220 175.620 1.600 2
1 88 . 1 1 A 15 15 CYS CA C 15 59.337 59.521 -0.184 2
1 89 . 1 1 A 15 15 CYS CB C 15 29.644 28.386 1.258 2
1 90 . 1 1 A 15 15 CYS N N 15 127.444 125.818 1.626 2
1 91 . 1 1 A 16 16 CYS H H 16 9.319 8.745 0.574 2
1 92 . 1 1 A 16 16 CYS HA H 16 4.475 4.414 0.061 2
1 95 . 1 1 A 16 16 CYS C C 16 174.596 176.313 -1.717 2
1 96 . 1 1 A 16 16 CYS CA C 16 60.515 60.510 0.005 2
1 97 . 1 1 A 16 16 CYS CB C 16 27.201 27.563 -0.362 2
1 98 . 1 1 A 16 16 CYS N N 16 130.435 126.447 3.988 2
1 99 . 1 1 A 17 17 GLU H H 17 8.688 8.121 0.567 2
1 100 . 1 1 A 17 17 GLU HA H 17 4.287 4.130 0.157 2
1 105 . 1 1 A 17 17 GLU C C 17 177.134 177.927 -0.793 2
1 106 . 1 1 A 17 17 GLU CA C 17 58.287 58.579 -0.292 2
1 107 . 1 1 A 17 17 GLU CB C 17 29.747 29.946 -0.199 2
1 109 . 1 1 A 17 17 GLU N N 17 122.479 120.725 1.754 2
1 110 . 1 1 A 18 18 CYS H H 18 7.912 7.671 0.241 2
1 111 . 1 1 A 18 18 CYS HA H 18 5.182 4.635 0.547 2
1 114 . 1 1 A 18 18 CYS C C 18 176.224 175.383 0.841 2
1 115 . 1 1 A 18 18 CYS CA C 18 58.452 59.536 -1.084 2
1 116 . 1 1 A 18 18 CYS CB C 18 32.577 29.865 2.712 2
1 117 . 1 1 A 18 18 CYS N N 18 114.583 114.775 -0.192 2
1 118 . 1 1 A 19 19 GLY H H 19 8.302 8.209 0.093 2
1 119 . 1 1 A 19 19 GLY HA2 H 19 3.918 4.066 -0.148 2
1 120 . 1 1 A 19 19 GLY HA3 H 19 4.235 4.076 0.159 2
1 121 . 1 1 A 19 19 GLY C C 19 173.879 174.220 -0.341 2
1 122 . 1 1 A 19 19 GLY CA C 19 46.133 45.510 0.623 2
1 123 . 1 1 A 19 19 GLY N N 19 113.493 109.949 3.544 2
1 124 . 1 1 A 20 20 LYS H H 20 7.918 7.773 0.145 2
1 125 . 1 1 A 20 20 LYS HA H 20 4.006 4.631 -0.625 2
1 134 . 1 1 A 20 20 LYS C C 20 174.253 175.295 -1.042 2
1 135 . 1 1 A 20 20 LYS CA C 20 58.177 54.806 3.371 2
1 136 . 1 1 A 20 20 LYS CB C 20 33.916 34.705 -0.789 2
1 140 . 1 1 A 20 20 LYS N N 20 122.419 120.007 2.412 2
1 141 . 1 1 A 21 21 VAL H H 21 7.565 8.427 -0.862 2
1 142 . 1 1 A 21 21 VAL HA H 21 4.798 4.996 -0.198 2
1 150 . 1 1 A 21 21 VAL C C 21 175.151 174.485 0.666 2
1 151 . 1 1 A 21 21 VAL CA C 21 60.194 60.793 -0.599 2
1 152 . 1 1 A 21 21 VAL CB C 21 34.074 34.300 -0.226 2
1 155 . 1 1 A 21 21 VAL N N 21 116.838 123.045 -6.207 2
1 156 . 1 1 A 22 22 PHE H H 22 8.603 8.732 -0.129 2
1 157 . 1 1 A 22 22 PHE HA H 22 4.787 4.998 -0.211 2
1 165 . 1 1 A 22 22 PHE C C 22 175.198 175.631 -0.433 2
1 166 . 1 1 A 22 22 PHE CA C 22 56.970 56.542 0.428 2
1 167 . 1 1 A 22 22 PHE CB C 22 43.313 43.796 -0.483 2
1 173 . 1 1 A 22 22 PHE N N 22 121.088 123.664 -2.576 2
1 174 . 1 1 A 23 23 SER H H 23 8.908 9.025 -0.117 2
1 175 . 1 1 A 23 23 SER HA H 23 4.678 4.661 0.017 2
1 178 . 1 1 A 23 23 SER C C 23 174.535 174.245 0.290 2
1 179 . 1 1 A 23 23 SER CA C 23 60.208 60.054 0.154 2
1 180 . 1 1 A 23 23 SER CB C 23 64.284 64.171 0.113 2
1 181 . 1 1 A 23 23 SER N N 23 115.507 116.022 -0.515 2
1 182 . 1 1 A 24 24 ARG H H 24 7.696 7.876 -0.180 2
1 183 . 1 1 A 24 24 ARG HA H 24 4.727 4.563 0.164 2
1 190 . 1 1 A 24 24 ARG C C 24 176.245 175.786 0.459 2
1 191 . 1 1 A 24 24 ARG CA C 24 54.240 54.294 -0.054 2
1 192 . 1 1 A 24 24 ARG CB C 24 35.386 32.731 2.655 2
1 195 . 1 1 A 24 24 ARG N N 24 117.322 119.300 -1.978 2
1 196 . 1 1 A 25 25 LYS H H 25 8.456 7.954 0.502 2
1 197 . 1 1 A 25 25 LYS HA H 25 3.035 3.109 -0.074 2
1 206 . 1 1 A 25 25 LYS C C 25 177.886 177.599 0.287 2
1 207 . 1 1 A 25 25 LYS CA C 25 59.309 59.897 -0.588 2
1 208 . 1 1 A 25 25 LYS CB C 25 31.983 31.835 0.148 2
1 212 . 1 1 A 25 25 LYS N N 25 125.034 125.104 -0.070 2
1 213 . 1 1 A 26 26 ASP H H 26 8.540 8.149 0.391 2
1 214 . 1 1 A 26 26 ASP HA H 26 4.142 4.204 -0.062 2
1 217 . 1 1 A 26 26 ASP C C 26 178.695 178.649 0.046 2
1 218 . 1 1 A 26 26 ASP CA C 26 56.780 57.276 -0.496 2
1 219 . 1 1 A 26 26 ASP CB C 26 39.330 40.525 -1.195 2
1 220 . 1 1 A 26 26 ASP N N 26 114.989 118.900 -3.912 2
1 221 . 1 1 A 27 27 GLN H H 27 6.981 8.105 -1.124 2
1 222 . 1 1 A 27 27 GLN HA H 27 3.987 3.993 -0.006 2
1 229 . 1 1 A 27 27 GLN C C 27 178.473 178.085 0.388 2
1 230 . 1 1 A 27 27 GLN CA C 27 57.612 58.630 -1.018 2
1 231 . 1 1 A 27 27 GLN CB C 27 28.915 28.402 0.512 2
1 233 . 1 1 A 27 27 GLN N N 27 119.394 117.825 1.569 2
1 235 . 1 1 A 28 28 LEU H H 28 6.969 7.645 -0.676 2
1 236 . 1 1 A 28 28 LEU HA H 28 3.249 2.768 0.481 2
1 246 . 1 1 A 28 28 LEU C C 28 177.627 178.338 -0.711 2
1 247 . 1 1 A 28 28 LEU CA C 28 57.956 57.316 0.640 2
1 248 . 1 1 A 28 28 LEU CB C 28 40.568 41.371 -0.803 2
1 252 . 1 1 A 28 28 LEU N N 28 121.993 121.539 0.454 2
1 253 . 1 1 A 29 29 VAL H H 29 8.261 8.069 0.192 2
1 254 . 1 1 A 29 29 VAL HA H 29 3.704 3.436 0.268 2
1 262 . 1 1 A 29 29 VAL C C 29 179.259 178.147 1.112 2
1 263 . 1 1 A 29 29 VAL CA C 29 66.532 66.917 -0.385 2
1 264 . 1 1 A 29 29 VAL CB C 29 31.765 31.464 0.301 2
1 267 . 1 1 A 29 29 VAL N N 29 119.585 119.573 0.012 2
1 268 . 1 1 A 30 30 SER H H 30 7.721 7.836 -0.115 2
1 269 . 1 1 A 30 30 SER HA H 30 4.104 4.116 -0.012 2
1 272 . 1 1 A 30 30 SER C C 30 177.207 176.620 0.587 2
1 273 . 1 1 A 30 30 SER CA C 30 61.647 61.278 0.369 2
1 274 . 1 1 A 30 30 SER CB C 30 62.575 63.026 -0.451 2
1 275 . 1 1 A 30 30 SER N N 30 113.762 114.863 -1.101 2
1 276 . 1 1 A 31 31 HIS H H 31 7.676 7.505 0.171 2
1 277 . 1 1 A 31 31 HIS HA H 31 4.271 4.256 0.015 2
1 282 . 1 1 A 31 31 HIS C C 31 177.982 177.046 0.936 2
1 283 . 1 1 A 31 31 HIS CA C 31 59.051 59.400 -0.349 2
1 284 . 1 1 A 31 31 HIS CB C 31 28.436 29.943 -1.507 2
1 287 . 1 1 A 31 31 HIS N N 31 120.492 121.091 -0.599 2
1 288 . 1 1 A 32 32 GLN H H 32 8.881 8.579 0.302 2
1 289 . 1 1 A 32 32 GLN HA H 32 3.718 3.868 -0.150 2
1 296 . 1 1 A 32 32 GLN C C 32 177.983 178.518 -0.535 2
1 297 . 1 1 A 32 32 GLN CA C 32 59.912 58.920 0.992 2
1 298 . 1 1 A 32 32 GLN CB C 32 28.124 28.344 -0.220 2
1 300 . 1 1 A 32 32 GLN N N 32 120.621 117.801 2.820 2
1 302 . 1 1 A 33 33 LYS H H 33 7.245 7.652 -0.407 2
1 303 . 1 1 A 33 33 LYS HA H 33 4.151 3.999 0.152 2
1 312 . 1 1 A 33 33 LYS C C 33 178.380 178.299 0.081 2
1 313 . 1 1 A 33 33 LYS CA C 33 58.671 59.041 -0.370 2
1 314 . 1 1 A 33 33 LYS CB C 33 32.152 32.273 -0.121 2
1 318 . 1 1 A 33 33 LYS N N 33 117.710 119.666 -1.956 2
1 319 . 1 1 A 34 34 THR H H 34 7.753 7.967 -0.214 2
1 320 . 1 1 A 34 34 THR HA H 34 4.151 4.102 0.049 2
1 325 . 1 1 A 34 34 THR C C 34 175.449 174.715 0.734 2
1 326 . 1 1 A 34 34 THR CA C 34 63.751 63.671 0.080 2
1 327 . 1 1 A 34 34 THR CB C 34 69.354 68.576 0.778 2
1 329 . 1 1 A 34 34 THR N N 34 109.516 113.231 -3.715 2
1 330 . 1 1 A 35 35 HIS H H 35 7.153 7.588 -0.435 2
1 331 . 1 1 A 35 35 HIS HA H 35 4.874 4.729 0.145 2
1 336 . 1 1 A 35 35 HIS C C 35 175.240 174.533 0.707 2
1 337 . 1 1 A 35 35 HIS CA C 35 55.228 55.303 -0.076 2
1 338 . 1 1 A 35 35 HIS CB C 35 28.899 30.250 -1.351 2
1 341 . 1 1 A 35 35 HIS N N 35 118.672 120.120 -1.448 2
1 342 . 1 1 A 36 36 SER H H 36 7.936 8.479 -0.542 2
1 345 . 1 1 A 36 36 SER C C 36 175.155 173.917 1.238 2
1 346 . 1 1 A 36 36 SER CA C 36 58.865 57.937 0.928 2
1 347 . 1 1 A 36 36 SER CB C 36 63.926 64.146 -0.220 2
1 348 . 1 1 A 36 36 SER N N 36 115.177 117.062 -1.885 2
1 349 . 1 1 A 37 37 GLY HA2 H 37 4.000 4.111 -0.111 2
1 350 . 1 1 A 37 37 GLY HA3 H 37 3.924 4.114 -0.190 2
1 351 . 1 1 A 37 37 GLY C C 37 174.151 173.527 0.624 2
1 352 . 1 1 A 37 37 GLY CA C 37 45.327 45.301 0.026 2
1 353 . 1 1 A 38 38 GLN H H 38 8.214 8.390 -0.176 2
1 354 . 1 1 A 38 38 GLN HA H 38 4.419 4.514 -0.095 2
1 360 . 1 1 A 38 38 GLN C C 38 176.047 175.442 0.605 2
1 361 . 1 1 A 38 38 GLN CA C 38 55.808 55.909 -0.101 2
1 362 . 1 1 A 38 38 GLN CB C 38 29.587 29.960 -0.373 2
1 364 . 1 1 A 38 38 GLN N N 38 119.770 121.655 -1.885 2
1 366 . 1 1 A 39 39 SER H H 39 8.420 8.385 0.035 2
1 367 . 1 1 A 39 39 SER HA H 39 4.510 4.658 -0.148 2
1 370 . 1 1 A 39 39 SER C C 39 174.504 174.273 0.231 2
1 371 . 1 1 A 39 39 SER CA C 39 58.371 58.371 0.000 2
1 372 . 1 1 A 39 39 SER CB C 39 64.007 63.705 0.302 2
1 373 . 1 1 A 39 39 SER N N 39 117.120 118.729 -1.609 2
1 374 . 1 1 A 40 40 GLY H H 40 8.269 8.417 -0.148 2
1 375 . 1 1 A 40 40 GLY HA2 H 40 4.108 4.099 0.009 2
1 376 . 1 1 A 40 40 GLY HA3 H 40 4.182 4.099 0.083 2
1 377 . 1 1 A 40 40 GLY C C 40 171.768 173.642 -1.874 2
1 378 . 1 1 A 40 40 GLY CA C 40 44.645 45.530 -0.885 2
1 379 . 1 1 A 40 40 GLY N N 40 110.759 111.940 -1.181 2
1 380 . 1 1 A 41 41 PRO HA H 41 4.490 4.546 -0.056 2
1 387 . 1 1 A 41 41 PRO C C 41 177.377 176.709 0.668 2
1 388 . 1 1 A 41 41 PRO CA C 41 63.244 63.235 0.009 2
1 389 . 1 1 A 41 41 PRO CB C 41 32.185 31.427 0.759 2
1 392 . 1 1 A 42 42 SER H H 42 8.514 8.251 0.263 2
1 393 . 1 1 A 42 42 SER C C 42 174.655 174.292 0.363 2
1 394 . 1 1 A 42 42 SER CA C 42 58.447 58.669 -0.222 2
1 395 . 1 1 A 42 42 SER CB C 42 64.027 63.955 0.072 2
stop_
save_