data_10231_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10231
_Entry.PDB_ID 2EN2
_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 3.943 4.151 -0.208 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.943 4.162 -0.219 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.561 173.458 1.103 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.444 45.421 0.023 1
1 5 . 1 1 1 A 8 8 GLY H H 8 8.198 8.657 -0.459 1
1 6 . 1 1 1 A 8 8 GLY HA2 H 8 3.922 4.039 -0.117 1
1 7 . 1 1 1 A 8 8 GLY HA3 H 8 3.922 4.042 -0.120 1
1 8 . 1 1 1 A 8 8 GLY C C 8 174.018 173.026 0.992 1
1 9 . 1 1 1 A 8 8 GLY CA C 8 45.107 45.125 -0.018 1
1 10 . 1 1 1 A 8 8 GLY N N 8 108.415 111.158 -2.743 1
1 11 . 1 1 1 A 9 9 GLU H H 9 8.350 8.308 0.042 1
1 12 . 1 1 1 A 9 9 GLU HA H 9 4.173 4.626 -0.453 1
1 17 . 1 1 1 A 9 9 GLU C C 9 176.393 176.197 0.196 1
1 18 . 1 1 1 A 9 9 GLU CA C 9 56.942 56.031 0.911 1
1 19 . 1 1 1 A 9 9 GLU CB C 9 30.240 30.102 0.138 1
1 21 . 1 1 1 A 9 9 GLU N N 9 120.444 120.844 -0.400 1
1 22 . 1 1 1 A 10 10 LYS H H 10 8.332 8.319 0.013 1
1 23 . 1 1 1 A 10 10 LYS HA H 10 4.543 4.974 -0.431 1
1 32 . 1 1 1 A 10 10 LYS C C 10 174.428 175.315 -0.887 1
1 33 . 1 1 1 A 10 10 LYS CA C 10 53.930 53.164 0.766 1
1 34 . 1 1 1 A 10 10 LYS CB C 10 33.487 34.775 -1.288 1
1 38 . 1 1 1 A 10 10 LYS N N 10 121.692 124.859 -3.167 1
1 39 . 1 1 1 A 11 11 PRO HA H 11 4.207 4.345 -0.138 1
1 46 . 1 1 1 A 11 11 PRO C C 11 176.513 175.830 0.683 1
1 47 . 1 1 1 A 11 11 PRO CA C 11 63.793 64.673 -0.880 1
1 48 . 1 1 1 A 11 11 PRO CB C 11 32.413 31.772 0.641 1
1 51 . 1 1 1 A 12 12 TYR H H 12 7.673 7.160 0.513 1
1 52 . 1 1 1 A 12 12 TYR HA H 12 4.713 4.848 -0.135 1
1 59 . 1 1 1 A 12 12 TYR C C 12 174.235 175.030 -0.795 1
1 60 . 1 1 1 A 12 12 TYR CA C 12 57.962 58.154 -0.192 1
1 61 . 1 1 1 A 12 12 TYR CB C 12 39.042 39.914 -0.872 1
1 66 . 1 1 1 A 12 12 TYR N N 12 117.472 118.272 -0.800 1
1 67 . 1 1 1 A 13 13 LYS H H 13 8.748 8.935 -0.187 1
1 68 . 1 1 1 A 13 13 LYS HA H 13 5.148 5.381 -0.233 1
1 77 . 1 1 1 A 13 13 LYS C C 13 174.652 174.805 -0.153 1
1 78 . 1 1 1 A 13 13 LYS CA C 13 54.661 54.612 0.049 1
1 79 . 1 1 1 A 13 13 LYS CB C 13 36.500 36.424 0.076 1
1 83 . 1 1 1 A 13 13 LYS N N 13 124.877 122.981 1.896 1
1 84 . 1 1 1 A 14 14 CYS H H 14 9.450 9.390 0.060 1
1 85 . 1 1 1 A 14 14 CYS HA H 14 4.588 4.736 -0.148 1
1 88 . 1 1 1 A 14 14 CYS C C 14 177.307 176.026 1.281 1
1 89 . 1 1 1 A 14 14 CYS CA C 14 59.198 58.399 0.799 1
1 90 . 1 1 1 A 14 14 CYS CB C 14 29.918 28.570 1.348 1
1 91 . 1 1 1 A 14 14 CYS N N 14 128.056 124.760 3.296 1
1 92 . 1 1 1 A 15 15 GLU H H 15 9.541 9.072 0.469 1
1 93 . 1 1 1 A 15 15 GLU HA H 15 4.161 4.153 0.008 1
1 98 . 1 1 1 A 15 15 GLU C C 15 176.855 178.738 -1.883 1
1 99 . 1 1 1 A 15 15 GLU CA C 15 58.462 59.262 -0.800 1
1 100 . 1 1 1 A 15 15 GLU CB C 15 29.612 29.521 0.091 1
1 102 . 1 1 1 A 15 15 GLU N N 15 131.947 127.977 3.970 1
1 103 . 1 1 1 A 16 16 THR H H 16 8.761 7.786 0.975 1
1 104 . 1 1 1 A 16 16 THR HA H 16 4.016 3.834 0.182 1
1 109 . 1 1 1 A 16 16 THR C C 16 174.867 175.673 -0.806 1
1 110 . 1 1 1 A 16 16 THR CA C 16 66.144 66.420 -0.276 1
1 111 . 1 1 1 A 16 16 THR CB C 16 68.802 68.201 0.601 1
1 113 . 1 1 1 A 16 16 THR N N 16 118.440 117.188 1.252 1
1 114 . 1 1 1 A 17 17 CYS H H 17 8.259 7.776 0.483 1
1 115 . 1 1 1 A 17 17 CYS HA H 17 5.198 4.667 0.531 1
1 118 . 1 1 1 A 17 17 CYS C C 17 176.245 175.683 0.562 1
1 119 . 1 1 1 A 17 17 CYS CA C 17 58.242 59.226 -0.984 1
1 120 . 1 1 1 A 17 17 CYS CB C 17 32.889 30.245 2.644 1
1 121 . 1 1 1 A 17 17 CYS N N 17 118.012 115.491 2.521 1
1 122 . 1 1 1 A 18 18 GLY H H 18 8.142 8.219 -0.077 1
1 123 . 1 1 1 A 18 18 GLY HA2 H 18 3.685 4.068 -0.383 1
1 124 . 1 1 1 A 18 18 GLY HA3 H 18 4.275 4.078 0.197 1
1 125 . 1 1 1 A 18 18 GLY C C 18 173.304 174.773 -1.469 1
1 126 . 1 1 1 A 18 18 GLY CA C 18 46.166 45.228 0.938 1
1 127 . 1 1 1 A 18 18 GLY N N 18 113.635 110.059 3.576 1
1 128 . 1 1 1 A 19 19 ALA H H 19 8.257 7.647 0.610 1
1 129 . 1 1 1 A 19 19 ALA HA H 19 4.006 4.299 -0.293 1
1 133 . 1 1 1 A 19 19 ALA C C 19 175.055 175.930 -0.875 1
1 134 . 1 1 1 A 19 19 ALA CA C 19 53.537 51.896 1.641 1
1 135 . 1 1 1 A 19 19 ALA CB C 19 19.738 20.241 -0.503 1
1 136 . 1 1 1 A 19 19 ALA N N 19 125.690 123.999 1.691 1
1 137 . 1 1 1 A 20 20 ARG H H 20 7.669 7.987 -0.318 1
1 138 . 1 1 1 A 20 20 ARG HA H 20 5.257 5.414 -0.157 1
1 145 . 1 1 1 A 20 20 ARG C C 20 175.609 174.516 1.093 1
1 146 . 1 1 1 A 20 20 ARG CA C 20 54.238 54.233 0.005 1
1 147 . 1 1 1 A 20 20 ARG CB C 20 34.243 34.641 -0.398 1
1 150 . 1 1 1 A 20 20 ARG N N 20 117.237 116.735 0.502 1
1 151 . 1 1 1 A 21 21 PHE H H 21 8.754 9.002 -0.248 1
1 152 . 1 1 1 A 21 21 PHE HA H 21 4.856 4.971 -0.115 1
1 160 . 1 1 1 A 21 21 PHE C C 21 175.009 175.485 -0.476 1
1 161 . 1 1 1 A 21 21 PHE CA C 21 57.344 56.738 0.606 1
1 162 . 1 1 1 A 21 21 PHE CB C 21 44.452 43.252 1.200 1
1 168 . 1 1 1 A 21 21 PHE N N 21 116.093 119.097 -3.004 1
1 169 . 1 1 1 A 22 22 VAL H H 22 9.432 8.816 0.616 1
1 170 . 1 1 1 A 22 22 VAL HA H 22 4.298 4.133 0.165 1
1 178 . 1 1 1 A 22 22 VAL C C 22 175.477 175.453 0.024 1
1 179 . 1 1 1 A 22 22 VAL CA C 22 64.474 64.110 0.364 1
1 180 . 1 1 1 A 22 22 VAL CB C 22 33.259 32.862 0.397 1
1 183 . 1 1 1 A 22 22 VAL N N 22 119.283 121.616 -2.333 1
1 184 . 1 1 1 A 23 23 GLN H H 23 7.243 7.518 -0.275 1
1 185 . 1 1 1 A 23 23 GLN HA H 23 4.810 4.690 0.120 1
1 192 . 1 1 1 A 23 23 GLN C C 23 176.882 175.009 1.873 1
1 193 . 1 1 1 A 23 23 GLN CA C 23 53.454 53.802 -0.348 1
1 194 . 1 1 1 A 23 23 GLN CB C 23 30.682 31.007 -0.325 1
1 196 . 1 1 1 A 23 23 GLN N N 23 113.909 118.038 -4.129 1
1 198 . 1 1 1 A 24 24 VAL H H 24 8.554 7.744 0.810 1
1 199 . 1 1 1 A 24 24 VAL HA H 24 2.960 2.996 -0.036 1
1 207 . 1 1 1 A 24 24 VAL C C 24 177.337 177.133 0.204 1
1 208 . 1 1 1 A 24 24 VAL CA C 24 65.388 64.455 0.933 1
1 209 . 1 1 1 A 24 24 VAL CB C 24 30.927 31.183 -0.256 1
1 212 . 1 1 1 A 24 24 VAL N N 24 126.915 124.109 2.806 1
1 213 . 1 1 1 A 25 25 ALA H H 25 8.531 8.060 0.471 1
1 214 . 1 1 1 A 25 25 ALA HA H 25 3.933 3.937 -0.004 1
1 218 . 1 1 1 A 25 25 ALA C C 25 180.524 179.530 0.994 1
1 219 . 1 1 1 A 25 25 ALA CA C 25 55.073 54.973 0.100 1
1 220 . 1 1 1 A 25 25 ALA CB C 25 18.311 18.481 -0.170 1
1 221 . 1 1 1 A 25 25 ALA N N 25 122.114 122.588 -0.474 1
1 222 . 1 1 1 A 26 26 HIS H H 26 6.892 7.528 -0.636 1
1 223 . 1 1 1 A 26 26 HIS HA H 26 4.436 4.276 0.160 1
1 228 . 1 1 1 A 26 26 HIS C C 26 178.267 177.356 0.911 1
1 229 . 1 1 1 A 26 26 HIS CA C 26 56.426 59.581 -3.155 1
1 230 . 1 1 1 A 26 26 HIS CB C 26 31.750 30.470 1.280 1
1 233 . 1 1 1 A 26 26 HIS N N 26 115.625 115.212 0.413 1
1 234 . 1 1 1 A 27 27 LEU H H 27 6.854 7.467 -0.613 1
1 235 . 1 1 1 A 27 27 LEU HA H 27 3.189 2.216 0.973 1
1 245 . 1 1 1 A 27 27 LEU C C 27 177.246 178.099 -0.853 1
1 246 . 1 1 1 A 27 27 LEU CA C 27 57.874 57.437 0.437 1
1 247 . 1 1 1 A 27 27 LEU CB C 27 40.685 41.426 -0.741 1
1 251 . 1 1 1 A 27 27 LEU N N 27 122.027 120.392 1.635 1
1 252 . 1 1 1 A 28 28 ARG H H 28 8.252 8.730 -0.478 1
1 253 . 1 1 1 A 28 28 ARG HA H 28 3.867 4.060 -0.193 1
1 260 . 1 1 1 A 28 28 ARG C C 28 178.248 177.402 0.846 1
1 261 . 1 1 1 A 28 28 ARG CA C 28 59.410 57.963 1.447 1
1 262 . 1 1 1 A 28 28 ARG CB C 28 29.762 29.320 0.442 1
1 265 . 1 1 1 A 28 28 ARG N N 28 117.010 117.774 -0.764 1
1 266 . 1 1 1 A 29 29 ALA H H 29 7.223 7.694 -0.471 1
1 267 . 1 1 1 A 29 29 ALA HA H 29 4.146 4.221 -0.075 1
1 271 . 1 1 1 A 29 29 ALA C C 29 179.428 179.150 0.278 1
1 272 . 1 1 1 A 29 29 ALA CA C 29 54.170 53.404 0.766 1
1 273 . 1 1 1 A 29 29 ALA CB C 29 18.345 19.036 -0.691 1
1 274 . 1 1 1 A 29 29 ALA N N 29 118.170 120.821 -2.651 1
1 275 . 1 1 1 A 30 30 HIS H H 30 7.527 8.236 -0.709 1
1 276 . 1 1 1 A 30 30 HIS HA H 30 4.166 4.296 -0.130 1
1 281 . 1 1 1 A 30 30 HIS C C 30 176.978 177.079 -0.101 1
1 282 . 1 1 1 A 30 30 HIS CA C 30 59.490 58.776 0.714 1
1 283 . 1 1 1 A 30 30 HIS CB C 30 28.889 30.431 -1.542 1
1 286 . 1 1 1 A 30 30 HIS N N 30 118.012 118.812 -0.800 1
1 287 . 1 1 1 A 31 31 VAL H H 31 8.251 8.375 -0.124 1
1 288 . 1 1 1 A 31 31 VAL HA H 31 3.659 3.991 -0.332 1
1 296 . 1 1 1 A 31 31 VAL C C 31 177.594 177.813 -0.219 1
1 297 . 1 1 1 A 31 31 VAL CA C 31 65.958 65.558 0.400 1
1 298 . 1 1 1 A 31 31 VAL CB C 31 31.636 31.341 0.295 1
1 301 . 1 1 1 A 31 31 VAL N N 31 112.141 117.233 -5.092 1
1 302 . 1 1 1 A 32 32 LEU H H 32 6.906 7.880 -0.974 1
1 303 . 1 1 1 A 32 32 LEU HA H 32 4.135 4.030 0.105 1
1 313 . 1 1 1 A 32 32 LEU C C 32 179.626 179.355 0.271 1
1 314 . 1 1 1 A 32 32 LEU CA C 32 56.826 57.260 -0.434 1
1 315 . 1 1 1 A 32 32 LEU CB C 32 41.476 41.247 0.229 1
1 319 . 1 1 1 A 32 32 LEU N N 32 119.239 121.430 -2.191 1
1 320 . 1 1 1 A 33 33 ILE H H 33 7.880 7.603 0.277 1
1 321 . 1 1 1 A 33 33 ILE HA H 33 3.971 3.648 0.323 1
1 331 . 1 1 1 A 33 33 ILE C C 33 177.546 177.833 -0.287 1
1 332 . 1 1 1 A 33 33 ILE CA C 33 63.138 64.478 -1.340 1
1 333 . 1 1 1 A 33 33 ILE CB C 33 37.587 37.272 0.315 1
1 337 . 1 1 1 A 33 33 ILE N N 33 116.394 115.705 0.689 1
1 338 . 1 1 1 A 34 34 HIS H H 34 7.360 7.292 0.068 1
1 339 . 1 1 1 A 34 34 HIS HA H 34 4.882 4.404 0.478 1
1 344 . 1 1 1 A 34 34 HIS C C 34 175.699 177.808 -2.109 1
1 345 . 1 1 1 A 34 34 HIS CA C 34 55.093 59.081 -3.988 1
1 346 . 1 1 1 A 34 34 HIS CB C 34 28.461 29.786 -1.325 1
1 349 . 1 1 1 A 34 34 HIS N N 34 117.627 120.975 -3.348 1
1 350 . 1 1 1 A 35 35 THR H H 35 7.805 7.818 -0.013 1
1 351 . 1 1 1 A 35 35 THR HA H 35 4.368 3.999 0.369 1
1 356 . 1 1 1 A 35 35 THR C C 35 175.388 174.725 0.663 1
1 357 . 1 1 1 A 35 35 THR CA C 35 62.548 65.498 -2.950 1
1 358 . 1 1 1 A 35 35 THR CB C 35 69.779 69.179 0.600 1
1 360 . 1 1 1 A 35 35 THR N N 35 112.000 113.232 -1.232 1
1 361 . 1 1 1 A 36 36 GLY H H 36 8.335 7.962 0.373 1
1 362 . 1 1 1 A 36 36 GLY HA2 H 36 4.049 4.060 -0.011 1
1 363 . 1 1 1 A 36 36 GLY HA3 H 36 4.049 4.072 -0.023 1
1 364 . 1 1 1 A 36 36 GLY C C 36 174.188 172.688 1.500 1
1 365 . 1 1 1 A 36 36 GLY CA C 36 45.444 44.129 1.315 1
1 366 . 1 1 1 A 36 36 GLY N N 36 111.103 109.261 1.842 1
1 367 . 1 1 1 A 37 37 SER H H 37 8.231 8.555 -0.324 1
1 368 . 1 1 1 A 37 37 SER HA H 37 4.521 5.093 -0.572 1
1 371 . 1 1 1 A 37 37 SER C C 37 174.567 173.658 0.909 1
1 372 . 1 1 1 A 37 37 SER CA C 37 58.242 56.996 1.246 1
1 373 . 1 1 1 A 37 37 SER CB C 37 64.018 65.893 -1.875 1
1 374 . 1 1 1 A 37 37 SER N N 37 115.371 114.943 0.428 1
1 375 . 1 1 1 A 38 38 GLY H H 38 8.310 8.818 -0.508 1
1 376 . 1 1 1 A 38 38 GLY HA2 H 38 4.158 4.002 0.156 1
1 377 . 1 1 1 A 38 38 GLY HA3 H 38 4.094 4.008 0.086 1
1 378 . 1 1 1 A 38 38 GLY C C 38 171.799 174.191 -2.392 1
1 379 . 1 1 1 A 38 38 GLY CA C 38 44.671 45.584 -0.913 1
1 380 . 1 1 1 A 38 38 GLY N N 38 110.735 115.385 -4.650 1
1 381 . 1 1 1 A 39 39 PRO HA H 39 4.476 4.507 -0.031 1
1 388 . 1 1 1 A 39 39 PRO C C 39 177.307 176.315 0.992 1
1 389 . 1 1 1 A 39 39 PRO CA C 39 63.131 62.609 0.522 1
1 390 . 1 1 1 A 39 39 PRO CB C 39 32.207 32.925 -0.718 1
1 393 . 1 1 1 A 40 40 SER H H 40 8.520 8.432 0.088 1
1 394 . 1 1 1 A 40 40 SER C C 40 174.611 173.539 1.072 1
1 395 . 1 1 1 A 40 40 SER CA C 40 58.516 57.784 0.732 1
1 396 . 1 1 1 A 40 40 SER CB C 40 64.203 62.853 1.350 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.943 4.145 -0.202 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.943 4.148 -0.205 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.561 172.750 1.811 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.444 45.701 -0.257 1
1 5 . 2 1 1 A 8 8 GLY H H 8 8.198 8.486 -0.288 1
1 6 . 2 1 1 A 8 8 GLY HA2 H 8 3.922 4.343 -0.421 1
1 7 . 2 1 1 A 8 8 GLY HA3 H 8 3.922 4.353 -0.431 1
1 8 . 2 1 1 A 8 8 GLY C C 8 174.018 174.024 -0.006 1
1 9 . 2 1 1 A 8 8 GLY CA C 8 45.107 44.964 0.143 1
1 10 . 2 1 1 A 8 8 GLY N N 8 108.415 111.048 -2.633 1
1 11 . 2 1 1 A 9 9 GLU H H 9 8.350 8.661 -0.311 1
1 12 . 2 1 1 A 9 9 GLU HA H 9 4.173 4.298 -0.125 1
1 17 . 2 1 1 A 9 9 GLU C C 9 176.393 176.733 -0.340 1
1 18 . 2 1 1 A 9 9 GLU CA C 9 56.942 56.604 0.338 1
1 19 . 2 1 1 A 9 9 GLU CB C 9 30.240 29.734 0.506 1
1 21 . 2 1 1 A 9 9 GLU N N 9 120.444 122.701 -2.257 1
1 22 . 2 1 1 A 10 10 LYS H H 10 8.332 8.073 0.259 1
1 23 . 2 1 1 A 10 10 LYS HA H 10 4.543 4.900 -0.357 1
1 32 . 2 1 1 A 10 10 LYS C C 10 174.428 175.450 -1.022 1
1 33 . 2 1 1 A 10 10 LYS CA C 10 53.930 53.008 0.922 1
1 34 . 2 1 1 A 10 10 LYS CB C 10 33.487 34.959 -1.472 1
1 38 . 2 1 1 A 10 10 LYS N N 10 121.692 124.587 -2.895 1
1 39 . 2 1 1 A 11 11 PRO HA H 11 4.207 4.298 -0.091 1
1 46 . 2 1 1 A 11 11 PRO C C 11 176.513 175.955 0.558 1
1 47 . 2 1 1 A 11 11 PRO CA C 11 63.793 64.834 -1.041 1
1 48 . 2 1 1 A 11 11 PRO CB C 11 32.413 31.715 0.698 1
1 51 . 2 1 1 A 12 12 TYR H H 12 7.673 7.248 0.425 1
1 52 . 2 1 1 A 12 12 TYR HA H 12 4.713 4.667 0.046 1
1 59 . 2 1 1 A 12 12 TYR C C 12 174.235 175.362 -1.127 1
1 60 . 2 1 1 A 12 12 TYR CA C 12 57.962 58.484 -0.522 1
1 61 . 2 1 1 A 12 12 TYR CB C 12 39.042 39.666 -0.624 1
1 66 . 2 1 1 A 12 12 TYR N N 12 117.472 118.258 -0.786 1
1 67 . 2 1 1 A 13 13 LYS H H 13 8.748 8.913 -0.165 1
1 68 . 2 1 1 A 13 13 LYS HA H 13 5.148 5.423 -0.275 1
1 77 . 2 1 1 A 13 13 LYS C C 13 174.652 174.893 -0.241 1
1 78 . 2 1 1 A 13 13 LYS CA C 13 54.661 54.658 0.003 1
1 79 . 2 1 1 A 13 13 LYS CB C 13 36.500 36.299 0.201 1
1 83 . 2 1 1 A 13 13 LYS N N 13 124.877 123.095 1.782 1
1 84 . 2 1 1 A 14 14 CYS H H 14 9.450 9.399 0.051 1
1 85 . 2 1 1 A 14 14 CYS HA H 14 4.588 4.680 -0.092 1
1 88 . 2 1 1 A 14 14 CYS C C 14 177.307 175.989 1.318 1
1 89 . 2 1 1 A 14 14 CYS CA C 14 59.198 58.445 0.753 1
1 90 . 2 1 1 A 14 14 CYS CB C 14 29.918 28.314 1.604 1
1 91 . 2 1 1 A 14 14 CYS N N 14 128.056 124.953 3.103 1
1 92 . 2 1 1 A 15 15 GLU H H 15 9.541 9.053 0.488 1
1 93 . 2 1 1 A 15 15 GLU HA H 15 4.161 4.139 0.022 1
1 98 . 2 1 1 A 15 15 GLU C C 15 176.855 178.700 -1.845 1
1 99 . 2 1 1 A 15 15 GLU CA C 15 58.462 59.367 -0.905 1
1 100 . 2 1 1 A 15 15 GLU CB C 15 29.612 29.496 0.116 1
1 102 . 2 1 1 A 15 15 GLU N N 15 131.947 128.047 3.900 1
1 103 . 2 1 1 A 16 16 THR H H 16 8.761 7.799 0.962 1
1 104 . 2 1 1 A 16 16 THR HA H 16 4.016 3.841 0.175 1
1 109 . 2 1 1 A 16 16 THR C C 16 174.867 175.636 -0.769 1
1 110 . 2 1 1 A 16 16 THR CA C 16 66.144 66.328 -0.184 1
1 111 . 2 1 1 A 16 16 THR CB C 16 68.802 68.246 0.556 1
1 113 . 2 1 1 A 16 16 THR N N 16 118.440 117.255 1.185 1
1 114 . 2 1 1 A 17 17 CYS H H 17 8.259 7.784 0.475 1
1 115 . 2 1 1 A 17 17 CYS HA H 17 5.198 4.675 0.523 1
1 118 . 2 1 1 A 17 17 CYS C C 17 176.245 175.690 0.555 1
1 119 . 2 1 1 A 17 17 CYS CA C 17 58.242 59.293 -1.051 1
1 120 . 2 1 1 A 17 17 CYS CB C 17 32.889 30.320 2.569 1
1 121 . 2 1 1 A 17 17 CYS N N 17 118.012 115.863 2.149 1
1 122 . 2 1 1 A 18 18 GLY H H 18 8.142 8.209 -0.067 1
1 123 . 2 1 1 A 18 18 GLY HA2 H 18 3.685 4.071 -0.386 1
1 124 . 2 1 1 A 18 18 GLY HA3 H 18 4.275 4.081 0.194 1
1 125 . 2 1 1 A 18 18 GLY C C 18 173.304 174.772 -1.468 1
1 126 . 2 1 1 A 18 18 GLY CA C 18 46.166 45.228 0.938 1
1 127 . 2 1 1 A 18 18 GLY N N 18 113.635 110.063 3.572 1
1 128 . 2 1 1 A 19 19 ALA H H 19 8.257 7.646 0.611 1
1 129 . 2 1 1 A 19 19 ALA HA H 19 4.006 4.299 -0.293 1
1 133 . 2 1 1 A 19 19 ALA C C 19 175.055 175.927 -0.872 1
1 134 . 2 1 1 A 19 19 ALA CA C 19 53.537 51.887 1.650 1
1 135 . 2 1 1 A 19 19 ALA CB C 19 19.738 20.315 -0.577 1
1 136 . 2 1 1 A 19 19 ALA N N 19 125.690 124.003 1.687 1
1 137 . 2 1 1 A 20 20 ARG H H 20 7.669 7.981 -0.312 1
1 138 . 2 1 1 A 20 20 ARG HA H 20 5.257 5.445 -0.188 1
1 145 . 2 1 1 A 20 20 ARG C C 20 175.609 174.500 1.109 1
1 146 . 2 1 1 A 20 20 ARG CA C 20 54.238 54.229 0.009 1
1 147 . 2 1 1 A 20 20 ARG CB C 20 34.243 34.634 -0.391 1
1 150 . 2 1 1 A 20 20 ARG N N 20 117.237 116.729 0.508 1
1 151 . 2 1 1 A 21 21 PHE H H 21 8.754 9.017 -0.263 1
1 152 . 2 1 1 A 21 21 PHE HA H 21 4.856 4.968 -0.112 1
1 160 . 2 1 1 A 21 21 PHE C C 21 175.009 175.490 -0.481 1
1 161 . 2 1 1 A 21 21 PHE CA C 21 57.344 56.803 0.541 1
1 162 . 2 1 1 A 21 21 PHE CB C 21 44.452 43.225 1.227 1
1 168 . 2 1 1 A 21 21 PHE N N 21 116.093 119.092 -2.999 1
1 169 . 2 1 1 A 22 22 VAL H H 22 9.432 8.782 0.650 1
1 170 . 2 1 1 A 22 22 VAL HA H 22 4.298 4.109 0.189 1
1 178 . 2 1 1 A 22 22 VAL C C 22 175.477 175.310 0.167 1
1 179 . 2 1 1 A 22 22 VAL CA C 22 64.474 64.067 0.407 1
1 180 . 2 1 1 A 22 22 VAL CB C 22 33.259 32.880 0.379 1
1 183 . 2 1 1 A 22 22 VAL N N 22 119.283 121.630 -2.347 1
1 184 . 2 1 1 A 23 23 GLN H H 23 7.243 7.433 -0.190 1
1 185 . 2 1 1 A 23 23 GLN HA H 23 4.810 4.619 0.191 1
1 192 . 2 1 1 A 23 23 GLN C C 23 176.882 174.926 1.956 1
1 193 . 2 1 1 A 23 23 GLN CA C 23 53.454 53.622 -0.168 1
1 194 . 2 1 1 A 23 23 GLN CB C 23 30.682 31.132 -0.450 1
1 196 . 2 1 1 A 23 23 GLN N N 23 113.909 118.224 -4.315 1
1 198 . 2 1 1 A 24 24 VAL H H 24 8.554 7.702 0.852 1
1 199 . 2 1 1 A 24 24 VAL HA H 24 2.960 3.007 -0.047 1
1 207 . 2 1 1 A 24 24 VAL C C 24 177.337 177.222 0.115 1
1 208 . 2 1 1 A 24 24 VAL CA C 24 65.388 64.486 0.902 1
1 209 . 2 1 1 A 24 24 VAL CB C 24 30.927 31.255 -0.328 1
1 212 . 2 1 1 A 24 24 VAL N N 24 126.915 123.885 3.030 1
1 213 . 2 1 1 A 25 25 ALA H H 25 8.531 8.070 0.461 1
1 214 . 2 1 1 A 25 25 ALA HA H 25 3.933 3.971 -0.038 1
1 218 . 2 1 1 A 25 25 ALA C C 25 180.524 179.485 1.039 1
1 219 . 2 1 1 A 25 25 ALA CA C 25 55.073 54.993 0.080 1
1 220 . 2 1 1 A 25 25 ALA CB C 25 18.311 18.552 -0.241 1
1 221 . 2 1 1 A 25 25 ALA N N 25 122.114 122.724 -0.610 1
1 222 . 2 1 1 A 26 26 HIS H H 26 6.892 7.502 -0.610 1
1 223 . 2 1 1 A 26 26 HIS HA H 26 4.436 4.270 0.166 1
1 228 . 2 1 1 A 26 26 HIS C C 26 178.267 177.352 0.915 1
1 229 . 2 1 1 A 26 26 HIS CA C 26 56.426 59.546 -3.120 1
1 230 . 2 1 1 A 26 26 HIS CB C 26 31.750 30.562 1.188 1
1 233 . 2 1 1 A 26 26 HIS N N 26 115.625 115.195 0.430 1
1 234 . 2 1 1 A 27 27 LEU H H 27 6.854 7.466 -0.612 1
1 235 . 2 1 1 A 27 27 LEU HA H 27 3.189 2.245 0.944 1
1 245 . 2 1 1 A 27 27 LEU C C 27 177.246 178.115 -0.869 1
1 246 . 2 1 1 A 27 27 LEU CA C 27 57.874 57.501 0.373 1
1 247 . 2 1 1 A 27 27 LEU CB C 27 40.685 41.432 -0.747 1
1 251 . 2 1 1 A 27 27 LEU N N 27 122.027 120.388 1.639 1
1 252 . 2 1 1 A 28 28 ARG H H 28 8.252 8.739 -0.487 1
1 253 . 2 1 1 A 28 28 ARG HA H 28 3.867 4.076 -0.209 1
1 260 . 2 1 1 A 28 28 ARG C C 28 178.248 177.443 0.805 1
1 261 . 2 1 1 A 28 28 ARG CA C 28 59.410 57.953 1.457 1
1 262 . 2 1 1 A 28 28 ARG CB C 28 29.762 29.265 0.497 1
1 265 . 2 1 1 A 28 28 ARG N N 28 117.010 117.797 -0.787 1
1 266 . 2 1 1 A 29 29 ALA H H 29 7.223 7.651 -0.428 1
1 267 . 2 1 1 A 29 29 ALA HA H 29 4.146 4.185 -0.039 1
1 271 . 2 1 1 A 29 29 ALA C C 29 179.428 179.147 0.281 1
1 272 . 2 1 1 A 29 29 ALA CA C 29 54.170 53.402 0.768 1
1 273 . 2 1 1 A 29 29 ALA CB C 29 18.345 19.102 -0.757 1
1 274 . 2 1 1 A 29 29 ALA N N 29 118.170 120.851 -2.681 1
1 275 . 2 1 1 A 30 30 HIS H H 30 7.527 8.210 -0.683 1
1 276 . 2 1 1 A 30 30 HIS HA H 30 4.166 4.292 -0.126 1
1 281 . 2 1 1 A 30 30 HIS C C 30 176.978 177.078 -0.100 1
1 282 . 2 1 1 A 30 30 HIS CA C 30 59.490 58.992 0.498 1
1 283 . 2 1 1 A 30 30 HIS CB C 30 28.889 30.415 -1.526 1
1 286 . 2 1 1 A 30 30 HIS N N 30 118.012 118.811 -0.799 1
1 287 . 2 1 1 A 31 31 VAL H H 31 8.251 8.441 -0.190 1
1 288 . 2 1 1 A 31 31 VAL HA H 31 3.659 3.937 -0.278 1
1 296 . 2 1 1 A 31 31 VAL C C 31 177.594 177.805 -0.211 1
1 297 . 2 1 1 A 31 31 VAL CA C 31 65.958 65.581 0.377 1
1 298 . 2 1 1 A 31 31 VAL CB C 31 31.636 31.491 0.145 1
1 301 . 2 1 1 A 31 31 VAL N N 31 112.141 117.250 -5.109 1
1 302 . 2 1 1 A 32 32 LEU H H 32 6.906 7.892 -0.986 1
1 303 . 2 1 1 A 32 32 LEU HA H 32 4.135 4.031 0.104 1
1 313 . 2 1 1 A 32 32 LEU C C 32 179.626 179.252 0.374 1
1 314 . 2 1 1 A 32 32 LEU CA C 32 56.826 57.307 -0.481 1
1 315 . 2 1 1 A 32 32 LEU CB C 32 41.476 41.269 0.207 1
1 319 . 2 1 1 A 32 32 LEU N N 32 119.239 121.667 -2.428 1
1 320 . 2 1 1 A 33 33 ILE H H 33 7.880 7.569 0.311 1
1 321 . 2 1 1 A 33 33 ILE HA H 33 3.971 3.668 0.303 1
1 331 . 2 1 1 A 33 33 ILE C C 33 177.546 177.678 -0.132 1
1 332 . 2 1 1 A 33 33 ILE CA C 33 63.138 64.489 -1.351 1
1 333 . 2 1 1 A 33 33 ILE CB C 33 37.587 37.276 0.311 1
1 337 . 2 1 1 A 33 33 ILE N N 33 116.394 115.900 0.494 1
1 338 . 2 1 1 A 34 34 HIS H H 34 7.360 7.420 -0.060 1
1 339 . 2 1 1 A 34 34 HIS HA H 34 4.882 4.386 0.496 1
1 344 . 2 1 1 A 34 34 HIS C C 34 175.699 176.413 -0.714 1
1 345 . 2 1 1 A 34 34 HIS CA C 34 55.093 58.917 -3.824 1
1 346 . 2 1 1 A 34 34 HIS CB C 34 28.461 30.250 -1.789 1
1 349 . 2 1 1 A 34 34 HIS N N 34 117.627 120.164 -2.537 1
1 350 . 2 1 1 A 35 35 THR H H 35 7.805 7.448 0.357 1
1 351 . 2 1 1 A 35 35 THR HA H 35 4.368 4.215 0.153 1
1 356 . 2 1 1 A 35 35 THR C C 35 175.388 174.955 0.433 1
1 357 . 2 1 1 A 35 35 THR CA C 35 62.548 62.796 -0.248 1
1 358 . 2 1 1 A 35 35 THR CB C 35 69.779 69.614 0.165 1
1 360 . 2 1 1 A 35 35 THR N N 35 112.000 111.488 0.512 1
1 361 . 2 1 1 A 36 36 GLY H H 36 8.335 8.802 -0.467 1
1 362 . 2 1 1 A 36 36 GLY HA2 H 36 4.049 4.184 -0.135 1
1 363 . 2 1 1 A 36 36 GLY HA3 H 36 4.049 4.188 -0.139 1
1 364 . 2 1 1 A 36 36 GLY C C 36 174.188 174.426 -0.238 1
1 365 . 2 1 1 A 36 36 GLY CA C 36 45.444 45.674 -0.230 1
1 366 . 2 1 1 A 36 36 GLY N N 36 111.103 115.914 -4.811 1
1 367 . 2 1 1 A 37 37 SER H H 37 8.231 8.093 0.138 1
1 368 . 2 1 1 A 37 37 SER HA H 37 4.521 4.150 0.371 1
1 371 . 2 1 1 A 37 37 SER C C 37 174.567 173.525 1.042 1
1 372 . 2 1 1 A 37 37 SER CA C 37 58.242 59.032 -0.790 1
1 373 . 2 1 1 A 37 37 SER CB C 37 64.018 61.477 2.541 1
1 374 . 2 1 1 A 37 37 SER N N 37 115.371 113.759 1.612 1
1 375 . 2 1 1 A 38 38 GLY H H 38 8.310 8.040 0.270 1
1 376 . 2 1 1 A 38 38 GLY HA2 H 38 4.158 4.029 0.129 1
1 377 . 2 1 1 A 38 38 GLY HA3 H 38 4.094 4.031 0.063 1
1 378 . 2 1 1 A 38 38 GLY C C 38 171.799 174.285 -2.486 1
1 379 . 2 1 1 A 38 38 GLY CA C 38 44.671 44.241 0.430 1
1 380 . 2 1 1 A 38 38 GLY N N 38 110.735 109.341 1.394 1
1 381 . 2 1 1 A 39 39 PRO HA H 39 4.476 4.431 0.045 1
1 388 . 2 1 1 A 39 39 PRO C C 39 177.307 177.462 -0.155 1
1 389 . 2 1 1 A 39 39 PRO CA C 39 63.131 64.701 -1.570 1
1 390 . 2 1 1 A 39 39 PRO CB C 39 32.207 32.066 0.141 1
1 393 . 2 1 1 A 40 40 SER H H 40 8.520 8.218 0.302 1
1 394 . 2 1 1 A 40 40 SER C C 40 174.611 175.110 -0.499 1
1 395 . 2 1 1 A 40 40 SER CA C 40 58.516 56.758 1.758 1
1 396 . 2 1 1 A 40 40 SER CB C 40 64.203 63.203 1.000 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.943 3.829 0.114 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.943 3.830 0.113 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.561 173.189 1.372 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.444 46.133 -0.689 1
1 5 . 3 1 1 A 8 8 GLY H H 8 8.198 8.325 -0.127 1
1 6 . 3 1 1 A 8 8 GLY HA2 H 8 3.922 4.134 -0.212 1
1 7 . 3 1 1 A 8 8 GLY HA3 H 8 3.922 4.140 -0.218 1
1 8 . 3 1 1 A 8 8 GLY C C 8 174.018 172.579 1.439 1
1 9 . 3 1 1 A 8 8 GLY CA C 8 45.107 45.754 -0.647 1
1 10 . 3 1 1 A 8 8 GLY N N 8 108.415 111.193 -2.778 1
1 11 . 3 1 1 A 9 9 GLU H H 9 8.350 9.000 -0.650 1
1 12 . 3 1 1 A 9 9 GLU HA H 9 4.173 4.988 -0.815 1
1 17 . 3 1 1 A 9 9 GLU C C 9 176.393 175.564 0.829 1
1 18 . 3 1 1 A 9 9 GLU CA C 9 56.942 55.572 1.370 1
1 19 . 3 1 1 A 9 9 GLU CB C 9 30.240 30.508 -0.268 1
1 21 . 3 1 1 A 9 9 GLU N N 9 120.444 122.872 -2.428 1
1 22 . 3 1 1 A 10 10 LYS H H 10 8.332 8.341 -0.009 1
1 23 . 3 1 1 A 10 10 LYS HA H 10 4.543 4.955 -0.412 1
1 32 . 3 1 1 A 10 10 LYS C C 10 174.428 175.322 -0.894 1
1 33 . 3 1 1 A 10 10 LYS CA C 10 53.930 53.140 0.790 1
1 34 . 3 1 1 A 10 10 LYS CB C 10 33.487 34.837 -1.350 1
1 38 . 3 1 1 A 10 10 LYS N N 10 121.692 124.967 -3.275 1
1 39 . 3 1 1 A 11 11 PRO HA H 11 4.207 4.320 -0.113 1
1 46 . 3 1 1 A 11 11 PRO C C 11 176.513 175.854 0.659 1
1 47 . 3 1 1 A 11 11 PRO CA C 11 63.793 64.841 -1.048 1
1 48 . 3 1 1 A 11 11 PRO CB C 11 32.413 31.676 0.737 1
1 51 . 3 1 1 A 12 12 TYR H H 12 7.673 7.158 0.515 1
1 52 . 3 1 1 A 12 12 TYR HA H 12 4.713 4.736 -0.023 1
1 59 . 3 1 1 A 12 12 TYR C C 12 174.235 175.301 -1.066 1
1 60 . 3 1 1 A 12 12 TYR CA C 12 57.962 58.391 -0.429 1
1 61 . 3 1 1 A 12 12 TYR CB C 12 39.042 39.916 -0.874 1
1 66 . 3 1 1 A 12 12 TYR N N 12 117.472 118.248 -0.776 1
1 67 . 3 1 1 A 13 13 LYS H H 13 8.748 8.901 -0.153 1
1 68 . 3 1 1 A 13 13 LYS HA H 13 5.148 5.412 -0.264 1
1 77 . 3 1 1 A 13 13 LYS C C 13 174.652 174.804 -0.152 1
1 78 . 3 1 1 A 13 13 LYS CA C 13 54.661 54.678 -0.017 1
1 79 . 3 1 1 A 13 13 LYS CB C 13 36.500 36.378 0.122 1
1 83 . 3 1 1 A 13 13 LYS N N 13 124.877 123.064 1.813 1
1 84 . 3 1 1 A 14 14 CYS H H 14 9.450 9.376 0.074 1
1 85 . 3 1 1 A 14 14 CYS HA H 14 4.588 4.736 -0.148 1
1 88 . 3 1 1 A 14 14 CYS C C 14 177.307 176.030 1.277 1
1 89 . 3 1 1 A 14 14 CYS CA C 14 59.198 58.398 0.800 1
1 90 . 3 1 1 A 14 14 CYS CB C 14 29.918 28.706 1.212 1
1 91 . 3 1 1 A 14 14 CYS N N 14 128.056 124.771 3.285 1
1 92 . 3 1 1 A 15 15 GLU H H 15 9.541 9.072 0.469 1
1 93 . 3 1 1 A 15 15 GLU HA H 15 4.161 4.141 0.020 1
1 98 . 3 1 1 A 15 15 GLU C C 15 176.855 178.739 -1.884 1
1 99 . 3 1 1 A 15 15 GLU CA C 15 58.462 59.369 -0.907 1
1 100 . 3 1 1 A 15 15 GLU CB C 15 29.612 29.488 0.124 1
1 102 . 3 1 1 A 15 15 GLU N N 15 131.947 128.042 3.905 1
1 103 . 3 1 1 A 16 16 THR H H 16 8.761 7.788 0.973 1
1 104 . 3 1 1 A 16 16 THR HA H 16 4.016 3.797 0.219 1
1 109 . 3 1 1 A 16 16 THR C C 16 174.867 175.721 -0.854 1
1 110 . 3 1 1 A 16 16 THR CA C 16 66.144 66.437 -0.293 1
1 111 . 3 1 1 A 16 16 THR CB C 16 68.802 68.171 0.631 1
1 113 . 3 1 1 A 16 16 THR N N 16 118.440 117.249 1.191 1
1 114 . 3 1 1 A 17 17 CYS H H 17 8.259 7.821 0.438 1
1 115 . 3 1 1 A 17 17 CYS HA H 17 5.198 4.656 0.542 1
1 118 . 3 1 1 A 17 17 CYS C C 17 176.245 175.682 0.563 1
1 119 . 3 1 1 A 17 17 CYS CA C 17 58.242 59.262 -1.020 1
1 120 . 3 1 1 A 17 17 CYS CB C 17 32.889 30.405 2.484 1
1 121 . 3 1 1 A 17 17 CYS N N 17 118.012 115.388 2.624 1
1 122 . 3 1 1 A 18 18 GLY H H 18 8.142 8.219 -0.077 1
1 123 . 3 1 1 A 18 18 GLY HA2 H 18 3.685 4.069 -0.384 1
1 124 . 3 1 1 A 18 18 GLY HA3 H 18 4.275 4.079 0.196 1
1 125 . 3 1 1 A 18 18 GLY C C 18 173.304 174.775 -1.471 1
1 126 . 3 1 1 A 18 18 GLY CA C 18 46.166 45.230 0.936 1
1 127 . 3 1 1 A 18 18 GLY N N 18 113.635 110.060 3.575 1
1 128 . 3 1 1 A 19 19 ALA H H 19 8.257 7.650 0.607 1
1 129 . 3 1 1 A 19 19 ALA HA H 19 4.006 4.296 -0.290 1
1 133 . 3 1 1 A 19 19 ALA C C 19 175.055 175.928 -0.873 1
1 134 . 3 1 1 A 19 19 ALA CA C 19 53.537 51.896 1.641 1
1 135 . 3 1 1 A 19 19 ALA CB C 19 19.738 20.230 -0.492 1
1 136 . 3 1 1 A 19 19 ALA N N 19 125.690 123.996 1.694 1
1 137 . 3 1 1 A 20 20 ARG H H 20 7.669 7.977 -0.308 1
1 138 . 3 1 1 A 20 20 ARG HA H 20 5.257 5.435 -0.178 1
1 145 . 3 1 1 A 20 20 ARG C C 20 175.609 174.512 1.097 1
1 146 . 3 1 1 A 20 20 ARG CA C 20 54.238 54.273 -0.035 1
1 147 . 3 1 1 A 20 20 ARG CB C 20 34.243 34.609 -0.366 1
1 150 . 3 1 1 A 20 20 ARG N N 20 117.237 116.785 0.452 1
1 151 . 3 1 1 A 21 21 PHE H H 21 8.754 9.028 -0.274 1
1 152 . 3 1 1 A 21 21 PHE HA H 21 4.856 4.972 -0.116 1
1 160 . 3 1 1 A 21 21 PHE C C 21 175.009 175.491 -0.482 1
1 161 . 3 1 1 A 21 21 PHE CA C 21 57.344 56.740 0.604 1
1 162 . 3 1 1 A 21 21 PHE CB C 21 44.452 43.245 1.207 1
1 168 . 3 1 1 A 21 21 PHE N N 21 116.093 119.097 -3.004 1
1 169 . 3 1 1 A 22 22 VAL H H 22 9.432 8.820 0.612 1
1 170 . 3 1 1 A 22 22 VAL HA H 22 4.298 4.118 0.180 1
1 178 . 3 1 1 A 22 22 VAL C C 22 175.477 175.437 0.040 1
1 179 . 3 1 1 A 22 22 VAL CA C 22 64.474 64.123 0.351 1
1 180 . 3 1 1 A 22 22 VAL CB C 22 33.259 32.868 0.391 1
1 183 . 3 1 1 A 22 22 VAL N N 22 119.283 121.626 -2.343 1
1 184 . 3 1 1 A 23 23 GLN H H 23 7.243 7.510 -0.267 1
1 185 . 3 1 1 A 23 23 GLN HA H 23 4.810 4.636 0.174 1
1 192 . 3 1 1 A 23 23 GLN C C 23 176.882 174.959 1.923 1
1 193 . 3 1 1 A 23 23 GLN CA C 23 53.454 53.688 -0.234 1
1 194 . 3 1 1 A 23 23 GLN CB C 23 30.682 31.034 -0.352 1
1 196 . 3 1 1 A 23 23 GLN N N 23 113.909 118.233 -4.324 1
1 198 . 3 1 1 A 24 24 VAL H H 24 8.554 7.652 0.902 1
1 199 . 3 1 1 A 24 24 VAL HA H 24 2.960 2.998 -0.038 1
1 207 . 3 1 1 A 24 24 VAL C C 24 177.337 177.122 0.215 1
1 208 . 3 1 1 A 24 24 VAL CA C 24 65.388 64.430 0.958 1
1 209 . 3 1 1 A 24 24 VAL CB C 24 30.927 31.213 -0.286 1
1 212 . 3 1 1 A 24 24 VAL N N 24 126.915 124.257 2.658 1
1 213 . 3 1 1 A 25 25 ALA H H 25 8.531 8.093 0.438 1
1 214 . 3 1 1 A 25 25 ALA HA H 25 3.933 3.965 -0.032 1
1 218 . 3 1 1 A 25 25 ALA C C 25 180.524 179.435 1.089 1
1 219 . 3 1 1 A 25 25 ALA CA C 25 55.073 55.023 0.050 1
1 220 . 3 1 1 A 25 25 ALA CB C 25 18.311 18.549 -0.238 1
1 221 . 3 1 1 A 25 25 ALA N N 25 122.114 122.706 -0.592 1
1 222 . 3 1 1 A 26 26 HIS H H 26 6.892 7.477 -0.585 1
1 223 . 3 1 1 A 26 26 HIS HA H 26 4.436 4.271 0.165 1
1 228 . 3 1 1 A 26 26 HIS C C 26 178.267 177.359 0.908 1
1 229 . 3 1 1 A 26 26 HIS CA C 26 56.426 59.542 -3.116 1
1 230 . 3 1 1 A 26 26 HIS CB C 26 31.750 30.554 1.196 1
1 233 . 3 1 1 A 26 26 HIS N N 26 115.625 115.196 0.429 1
1 234 . 3 1 1 A 27 27 LEU H H 27 6.854 7.456 -0.602 1
1 235 . 3 1 1 A 27 27 LEU HA H 27 3.189 2.241 0.948 1
1 245 . 3 1 1 A 27 27 LEU C C 27 177.246 178.106 -0.860 1
1 246 . 3 1 1 A 27 27 LEU CA C 27 57.874 57.501 0.373 1
1 247 . 3 1 1 A 27 27 LEU CB C 27 40.685 41.445 -0.760 1
1 251 . 3 1 1 A 27 27 LEU N N 27 122.027 120.388 1.639 1
1 252 . 3 1 1 A 28 28 ARG H H 28 8.252 8.736 -0.484 1
1 253 . 3 1 1 A 28 28 ARG HA H 28 3.867 4.060 -0.193 1
1 260 . 3 1 1 A 28 28 ARG C C 28 178.248 177.444 0.804 1
1 261 . 3 1 1 A 28 28 ARG CA C 28 59.410 57.955 1.455 1
1 262 . 3 1 1 A 28 28 ARG CB C 28 29.762 29.271 0.491 1
1 265 . 3 1 1 A 28 28 ARG N N 28 117.010 117.781 -0.771 1
1 266 . 3 1 1 A 29 29 ALA H H 29 7.223 7.666 -0.443 1
1 267 . 3 1 1 A 29 29 ALA HA H 29 4.146 4.227 -0.081 1
1 271 . 3 1 1 A 29 29 ALA C C 29 179.428 179.149 0.279 1
1 272 . 3 1 1 A 29 29 ALA CA C 29 54.170 53.398 0.772 1
1 273 . 3 1 1 A 29 29 ALA CB C 29 18.345 19.052 -0.707 1
1 274 . 3 1 1 A 29 29 ALA N N 29 118.170 120.841 -2.671 1
1 275 . 3 1 1 A 30 30 HIS H H 30 7.527 8.216 -0.689 1
1 276 . 3 1 1 A 30 30 HIS HA H 30 4.166 4.294 -0.128 1
1 281 . 3 1 1 A 30 30 HIS C C 30 176.978 177.078 -0.100 1
1 282 . 3 1 1 A 30 30 HIS CA C 30 59.490 58.782 0.708 1
1 283 . 3 1 1 A 30 30 HIS CB C 30 28.889 30.417 -1.528 1
1 286 . 3 1 1 A 30 30 HIS N N 30 118.012 118.811 -0.799 1
1 287 . 3 1 1 A 31 31 VAL H H 31 8.251 8.508 -0.257 1
1 288 . 3 1 1 A 31 31 VAL HA H 31 3.659 3.935 -0.276 1
1 296 . 3 1 1 A 31 31 VAL C C 31 177.594 177.802 -0.208 1
1 297 . 3 1 1 A 31 31 VAL CA C 31 65.958 65.583 0.375 1
1 298 . 3 1 1 A 31 31 VAL CB C 31 31.636 31.494 0.142 1
1 301 . 3 1 1 A 31 31 VAL N N 31 112.141 117.253 -5.112 1
1 302 . 3 1 1 A 32 32 LEU H H 32 6.906 7.913 -1.007 1
1 303 . 3 1 1 A 32 32 LEU HA H 32 4.135 4.053 0.082 1
1 313 . 3 1 1 A 32 32 LEU C C 32 179.626 179.356 0.270 1
1 314 . 3 1 1 A 32 32 LEU CA C 32 56.826 57.274 -0.448 1
1 315 . 3 1 1 A 32 32 LEU CB C 32 41.476 41.277 0.199 1
1 319 . 3 1 1 A 32 32 LEU N N 32 119.239 121.680 -2.441 1
1 320 . 3 1 1 A 33 33 ILE H H 33 7.880 7.566 0.314 1
1 321 . 3 1 1 A 33 33 ILE HA H 33 3.971 3.651 0.320 1
1 331 . 3 1 1 A 33 33 ILE C C 33 177.546 177.913 -0.367 1
1 332 . 3 1 1 A 33 33 ILE CA C 33 63.138 64.478 -1.340 1
1 333 . 3 1 1 A 33 33 ILE CB C 33 37.587 37.276 0.311 1
1 337 . 3 1 1 A 33 33 ILE N N 33 116.394 115.326 1.068 1
1 338 . 3 1 1 A 34 34 HIS H H 34 7.360 7.568 -0.208 1
1 339 . 3 1 1 A 34 34 HIS HA H 34 4.882 4.345 0.537 1
1 344 . 3 1 1 A 34 34 HIS C C 34 175.699 176.579 -0.880 1
1 345 . 3 1 1 A 34 34 HIS CA C 34 55.093 59.541 -4.448 1
1 346 . 3 1 1 A 34 34 HIS CB C 34 28.461 30.596 -2.135 1
1 349 . 3 1 1 A 34 34 HIS N N 34 117.627 120.471 -2.844 1
1 350 . 3 1 1 A 35 35 THR H H 35 7.805 7.563 0.242 1
1 351 . 3 1 1 A 35 35 THR HA H 35 4.368 4.353 0.015 1
1 356 . 3 1 1 A 35 35 THR C C 35 175.388 173.856 1.532 1
1 357 . 3 1 1 A 35 35 THR CA C 35 62.548 61.555 0.993 1
1 358 . 3 1 1 A 35 35 THR CB C 35 69.779 68.063 1.716 1
1 360 . 3 1 1 A 35 35 THR N N 35 112.000 112.571 -0.571 1
1 361 . 3 1 1 A 36 36 GLY H H 36 8.335 7.826 0.509 1
1 362 . 3 1 1 A 36 36 GLY HA2 H 36 4.049 4.048 0.001 1
1 363 . 3 1 1 A 36 36 GLY HA3 H 36 4.049 4.063 -0.014 1
1 364 . 3 1 1 A 36 36 GLY C C 36 174.188 172.850 1.338 1
1 365 . 3 1 1 A 36 36 GLY CA C 36 45.444 44.477 0.967 1
1 366 . 3 1 1 A 36 36 GLY N N 36 111.103 111.240 -0.137 1
1 367 . 3 1 1 A 37 37 SER H H 37 8.231 8.265 -0.034 1
1 368 . 3 1 1 A 37 37 SER HA H 37 4.521 4.325 0.196 1
1 371 . 3 1 1 A 37 37 SER C C 37 174.567 174.041 0.526 1
1 372 . 3 1 1 A 37 37 SER CA C 37 58.242 59.941 -1.699 1
1 373 . 3 1 1 A 37 37 SER CB C 37 64.018 62.838 1.180 1
1 374 . 3 1 1 A 37 37 SER N N 37 115.371 117.389 -2.018 1
1 375 . 3 1 1 A 38 38 GLY H H 38 8.310 8.584 -0.274 1
1 376 . 3 1 1 A 38 38 GLY HA2 H 38 4.158 4.178 -0.020 1
1 377 . 3 1 1 A 38 38 GLY HA3 H 38 4.094 4.179 -0.085 1
1 378 . 3 1 1 A 38 38 GLY C C 38 171.799 172.871 -1.072 1
1 379 . 3 1 1 A 38 38 GLY CA C 38 44.671 44.626 0.045 1
1 380 . 3 1 1 A 38 38 GLY N N 38 110.735 113.982 -3.247 1
1 381 . 3 1 1 A 39 39 PRO HA H 39 4.476 4.661 -0.185 1
1 388 . 3 1 1 A 39 39 PRO C C 39 177.307 176.889 0.418 1
1 389 . 3 1 1 A 39 39 PRO CA C 39 63.131 62.833 0.298 1
1 390 . 3 1 1 A 39 39 PRO CB C 39 32.207 31.838 0.369 1
1 393 . 3 1 1 A 40 40 SER H H 40 8.520 8.402 0.118 1
1 394 . 3 1 1 A 40 40 SER C C 40 174.611 173.701 0.910 1
1 395 . 3 1 1 A 40 40 SER CA C 40 58.516 57.125 1.391 1
1 396 . 3 1 1 A 40 40 SER CB C 40 64.203 64.257 -0.054 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.943 3.995 -0.052 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.943 3.997 -0.054 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.561 173.056 1.505 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.444 45.066 0.378 1
1 5 . 4 1 1 A 8 8 GLY H H 8 8.198 8.106 0.092 1
1 6 . 4 1 1 A 8 8 GLY HA2 H 8 3.922 4.190 -0.268 1
1 7 . 4 1 1 A 8 8 GLY HA3 H 8 3.922 4.194 -0.272 1
1 8 . 4 1 1 A 8 8 GLY C C 8 174.018 172.476 1.542 1
1 9 . 4 1 1 A 8 8 GLY CA C 8 45.107 45.969 -0.862 1
1 10 . 4 1 1 A 8 8 GLY N N 8 108.415 106.927 1.488 1
1 11 . 4 1 1 A 9 9 GLU H H 9 8.350 8.929 -0.579 1
1 12 . 4 1 1 A 9 9 GLU HA H 9 4.173 5.051 -0.878 1
1 17 . 4 1 1 A 9 9 GLU C C 9 176.393 175.222 1.171 1
1 18 . 4 1 1 A 9 9 GLU CA C 9 56.942 54.809 2.133 1
1 19 . 4 1 1 A 9 9 GLU CB C 9 30.240 32.080 -1.840 1
1 21 . 4 1 1 A 9 9 GLU N N 9 120.444 121.351 -0.907 1
1 22 . 4 1 1 A 10 10 LYS H H 10 8.332 8.463 -0.131 1
1 23 . 4 1 1 A 10 10 LYS HA H 10 4.543 4.945 -0.402 1
1 32 . 4 1 1 A 10 10 LYS C C 10 174.428 175.323 -0.895 1
1 33 . 4 1 1 A 10 10 LYS CA C 10 53.930 53.090 0.840 1
1 34 . 4 1 1 A 10 10 LYS CB C 10 33.487 35.033 -1.546 1
1 38 . 4 1 1 A 10 10 LYS N N 10 121.692 123.606 -1.914 1
1 39 . 4 1 1 A 11 11 PRO HA H 11 4.207 4.317 -0.110 1
1 46 . 4 1 1 A 11 11 PRO C C 11 176.513 175.839 0.674 1
1 47 . 4 1 1 A 11 11 PRO CA C 11 63.793 64.754 -0.961 1
1 48 . 4 1 1 A 11 11 PRO CB C 11 32.413 31.669 0.744 1
1 51 . 4 1 1 A 12 12 TYR H H 12 7.673 7.168 0.505 1
1 52 . 4 1 1 A 12 12 TYR HA H 12 4.713 4.795 -0.082 1
1 59 . 4 1 1 A 12 12 TYR C C 12 174.235 175.130 -0.895 1
1 60 . 4 1 1 A 12 12 TYR CA C 12 57.962 58.294 -0.332 1
1 61 . 4 1 1 A 12 12 TYR CB C 12 39.042 39.975 -0.933 1
1 66 . 4 1 1 A 12 12 TYR N N 12 117.472 118.235 -0.763 1
1 67 . 4 1 1 A 13 13 LYS H H 13 8.748 8.907 -0.159 1
1 68 . 4 1 1 A 13 13 LYS HA H 13 5.148 5.371 -0.223 1
1 77 . 4 1 1 A 13 13 LYS C C 13 174.652 174.800 -0.148 1
1 78 . 4 1 1 A 13 13 LYS CA C 13 54.661 54.650 0.011 1
1 79 . 4 1 1 A 13 13 LYS CB C 13 36.500 36.405 0.095 1
1 83 . 4 1 1 A 13 13 LYS N N 13 124.877 123.002 1.875 1
1 84 . 4 1 1 A 14 14 CYS H H 14 9.450 9.378 0.072 1
1 85 . 4 1 1 A 14 14 CYS HA H 14 4.588 4.742 -0.154 1
1 88 . 4 1 1 A 14 14 CYS C C 14 177.307 176.048 1.259 1
1 89 . 4 1 1 A 14 14 CYS CA C 14 59.198 58.380 0.818 1
1 90 . 4 1 1 A 14 14 CYS CB C 14 29.918 28.628 1.290 1
1 91 . 4 1 1 A 14 14 CYS N N 14 128.056 124.736 3.320 1
1 92 . 4 1 1 A 15 15 GLU H H 15 9.541 9.043 0.498 1
1 93 . 4 1 1 A 15 15 GLU HA H 15 4.161 4.170 -0.009 1
1 98 . 4 1 1 A 15 15 GLU C C 15 176.855 178.665 -1.810 1
1 99 . 4 1 1 A 15 15 GLU CA C 15 58.462 59.371 -0.909 1
1 100 . 4 1 1 A 15 15 GLU CB C 15 29.612 29.507 0.105 1
1 102 . 4 1 1 A 15 15 GLU N N 15 131.947 127.970 3.977 1
1 103 . 4 1 1 A 16 16 THR H H 16 8.761 7.750 1.011 1
1 104 . 4 1 1 A 16 16 THR HA H 16 4.016 3.866 0.150 1
1 109 . 4 1 1 A 16 16 THR C C 16 174.867 175.656 -0.789 1
1 110 . 4 1 1 A 16 16 THR CA C 16 66.144 66.186 -0.042 1
1 111 . 4 1 1 A 16 16 THR CB C 16 68.802 68.464 0.338 1
1 113 . 4 1 1 A 16 16 THR N N 16 118.440 117.526 0.914 1
1 114 . 4 1 1 A 17 17 CYS H H 17 8.259 7.334 0.925 1
1 115 . 4 1 1 A 17 17 CYS HA H 17 5.198 4.671 0.527 1
1 118 . 4 1 1 A 17 17 CYS C C 17 176.245 175.804 0.441 1
1 119 . 4 1 1 A 17 17 CYS CA C 17 58.242 59.294 -1.052 1
1 120 . 4 1 1 A 17 17 CYS CB C 17 32.889 30.174 2.715 1
1 121 . 4 1 1 A 17 17 CYS N N 17 118.012 115.450 2.562 1
1 122 . 4 1 1 A 18 18 GLY H H 18 8.142 8.213 -0.071 1
1 123 . 4 1 1 A 18 18 GLY HA2 H 18 3.685 4.068 -0.383 1
1 124 . 4 1 1 A 18 18 GLY HA3 H 18 4.275 4.078 0.197 1
1 125 . 4 1 1 A 18 18 GLY C C 18 173.304 174.782 -1.478 1
1 126 . 4 1 1 A 18 18 GLY CA C 18 46.166 45.229 0.937 1
1 127 . 4 1 1 A 18 18 GLY N N 18 113.635 109.848 3.787 1
1 128 . 4 1 1 A 19 19 ALA H H 19 8.257 7.655 0.602 1
1 129 . 4 1 1 A 19 19 ALA HA H 19 4.006 4.304 -0.298 1
1 133 . 4 1 1 A 19 19 ALA C C 19 175.055 175.869 -0.814 1
1 134 . 4 1 1 A 19 19 ALA CA C 19 53.537 51.901 1.636 1
1 135 . 4 1 1 A 19 19 ALA CB C 19 19.738 20.340 -0.602 1
1 136 . 4 1 1 A 19 19 ALA N N 19 125.690 124.004 1.686 1
1 137 . 4 1 1 A 20 20 ARG H H 20 7.669 7.972 -0.303 1
1 138 . 4 1 1 A 20 20 ARG HA H 20 5.257 5.402 -0.145 1
1 145 . 4 1 1 A 20 20 ARG C C 20 175.609 174.503 1.106 1
1 146 . 4 1 1 A 20 20 ARG CA C 20 54.238 54.272 -0.034 1
1 147 . 4 1 1 A 20 20 ARG CB C 20 34.243 34.664 -0.421 1
1 150 . 4 1 1 A 20 20 ARG N N 20 117.237 116.844 0.393 1
1 151 . 4 1 1 A 21 21 PHE H H 21 8.754 8.993 -0.239 1
1 152 . 4 1 1 A 21 21 PHE HA H 21 4.856 4.971 -0.115 1
1 160 . 4 1 1 A 21 21 PHE C C 21 175.009 175.489 -0.480 1
1 161 . 4 1 1 A 21 21 PHE CA C 21 57.344 56.741 0.603 1
1 162 . 4 1 1 A 21 21 PHE CB C 21 44.452 43.241 1.211 1
1 168 . 4 1 1 A 21 21 PHE N N 21 116.093 119.097 -3.004 1
1 169 . 4 1 1 A 22 22 VAL H H 22 9.432 8.816 0.616 1
1 170 . 4 1 1 A 22 22 VAL HA H 22 4.298 4.138 0.160 1
1 178 . 4 1 1 A 22 22 VAL C C 22 175.477 175.504 -0.027 1
1 179 . 4 1 1 A 22 22 VAL CA C 22 64.474 64.120 0.354 1
1 180 . 4 1 1 A 22 22 VAL CB C 22 33.259 32.864 0.395 1
1 183 . 4 1 1 A 22 22 VAL N N 22 119.283 121.626 -2.343 1
1 184 . 4 1 1 A 23 23 GLN H H 23 7.243 7.520 -0.277 1
1 185 . 4 1 1 A 23 23 GLN HA H 23 4.810 4.677 0.133 1
1 192 . 4 1 1 A 23 23 GLN C C 23 176.882 175.021 1.861 1
1 193 . 4 1 1 A 23 23 GLN CA C 23 53.454 53.736 -0.282 1
1 194 . 4 1 1 A 23 23 GLN CB C 23 30.682 31.025 -0.343 1
1 196 . 4 1 1 A 23 23 GLN N N 23 113.909 118.263 -4.354 1
1 198 . 4 1 1 A 24 24 VAL H H 24 8.554 7.687 0.867 1
1 199 . 4 1 1 A 24 24 VAL HA H 24 2.960 3.028 -0.068 1
1 207 . 4 1 1 A 24 24 VAL C C 24 177.337 177.065 0.272 1
1 208 . 4 1 1 A 24 24 VAL CA C 24 65.388 64.344 1.044 1
1 209 . 4 1 1 A 24 24 VAL CB C 24 30.927 31.202 -0.275 1
1 212 . 4 1 1 A 24 24 VAL N N 24 126.915 124.294 2.621 1
1 213 . 4 1 1 A 25 25 ALA H H 25 8.531 8.076 0.455 1
1 214 . 4 1 1 A 25 25 ALA HA H 25 3.933 3.937 -0.004 1
1 218 . 4 1 1 A 25 25 ALA C C 25 180.524 179.517 1.007 1
1 219 . 4 1 1 A 25 25 ALA CA C 25 55.073 54.969 0.104 1
1 220 . 4 1 1 A 25 25 ALA CB C 25 18.311 18.485 -0.174 1
1 221 . 4 1 1 A 25 25 ALA N N 25 122.114 122.635 -0.521 1
1 222 . 4 1 1 A 26 26 HIS H H 26 6.892 7.539 -0.647 1
1 223 . 4 1 1 A 26 26 HIS HA H 26 4.436 4.273 0.163 1
1 228 . 4 1 1 A 26 26 HIS C C 26 178.267 177.372 0.895 1
1 229 . 4 1 1 A 26 26 HIS CA C 26 56.426 59.549 -3.123 1
1 230 . 4 1 1 A 26 26 HIS CB C 26 31.750 30.555 1.195 1
1 233 . 4 1 1 A 26 26 HIS N N 26 115.625 115.072 0.553 1
1 234 . 4 1 1 A 27 27 LEU H H 27 6.854 7.465 -0.611 1
1 235 . 4 1 1 A 27 27 LEU HA H 27 3.189 2.270 0.919 1
1 245 . 4 1 1 A 27 27 LEU C C 27 177.246 178.100 -0.854 1
1 246 . 4 1 1 A 27 27 LEU CA C 27 57.874 57.447 0.427 1
1 247 . 4 1 1 A 27 27 LEU CB C 27 40.685 41.441 -0.756 1
1 251 . 4 1 1 A 27 27 LEU N N 27 122.027 120.295 1.732 1
1 252 . 4 1 1 A 28 28 ARG H H 28 8.252 8.734 -0.482 1
1 253 . 4 1 1 A 28 28 ARG HA H 28 3.867 4.049 -0.182 1
1 260 . 4 1 1 A 28 28 ARG C C 28 178.248 177.411 0.837 1
1 261 . 4 1 1 A 28 28 ARG CA C 28 59.410 58.087 1.323 1
1 262 . 4 1 1 A 28 28 ARG CB C 28 29.762 29.501 0.261 1
1 265 . 4 1 1 A 28 28 ARG N N 28 117.010 117.773 -0.763 1
1 266 . 4 1 1 A 29 29 ALA H H 29 7.223 7.769 -0.546 1
1 267 . 4 1 1 A 29 29 ALA HA H 29 4.146 4.196 -0.050 1
1 271 . 4 1 1 A 29 29 ALA C C 29 179.428 179.155 0.273 1
1 272 . 4 1 1 A 29 29 ALA CA C 29 54.170 53.487 0.683 1
1 273 . 4 1 1 A 29 29 ALA CB C 29 18.345 18.942 -0.597 1
1 274 . 4 1 1 A 29 29 ALA N N 29 118.170 120.962 -2.792 1
1 275 . 4 1 1 A 30 30 HIS H H 30 7.527 8.193 -0.666 1
1 276 . 4 1 1 A 30 30 HIS HA H 30 4.166 4.290 -0.124 1
1 281 . 4 1 1 A 30 30 HIS C C 30 176.978 177.072 -0.094 1
1 282 . 4 1 1 A 30 30 HIS CA C 30 59.490 58.782 0.708 1
1 283 . 4 1 1 A 30 30 HIS CB C 30 28.889 30.273 -1.384 1
1 286 . 4 1 1 A 30 30 HIS N N 30 118.012 118.804 -0.792 1
1 287 . 4 1 1 A 31 31 VAL H H 31 8.251 8.558 -0.307 1
1 288 . 4 1 1 A 31 31 VAL HA H 31 3.659 3.901 -0.242 1
1 296 . 4 1 1 A 31 31 VAL C C 31 177.594 177.780 -0.186 1
1 297 . 4 1 1 A 31 31 VAL CA C 31 65.958 65.558 0.400 1
1 298 . 4 1 1 A 31 31 VAL CB C 31 31.636 31.484 0.152 1
1 301 . 4 1 1 A 31 31 VAL N N 31 112.141 117.239 -5.098 1
1 302 . 4 1 1 A 32 32 LEU H H 32 6.906 7.907 -1.001 1
1 303 . 4 1 1 A 32 32 LEU HA H 32 4.135 4.029 0.106 1
1 313 . 4 1 1 A 32 32 LEU C C 32 179.626 179.263 0.363 1
1 314 . 4 1 1 A 32 32 LEU CA C 32 56.826 57.270 -0.444 1
1 315 . 4 1 1 A 32 32 LEU CB C 32 41.476 41.227 0.249 1
1 319 . 4 1 1 A 32 32 LEU N N 32 119.239 121.690 -2.451 1
1 320 . 4 1 1 A 33 33 ILE H H 33 7.880 7.561 0.319 1
1 321 . 4 1 1 A 33 33 ILE HA H 33 3.971 3.669 0.302 1
1 331 . 4 1 1 A 33 33 ILE C C 33 177.546 177.938 -0.392 1
1 332 . 4 1 1 A 33 33 ILE CA C 33 63.138 64.492 -1.354 1
1 333 . 4 1 1 A 33 33 ILE CB C 33 37.587 37.279 0.308 1
1 337 . 4 1 1 A 33 33 ILE N N 33 116.394 115.579 0.815 1
1 338 . 4 1 1 A 34 34 HIS H H 34 7.360 7.514 -0.154 1
1 339 . 4 1 1 A 34 34 HIS HA H 34 4.882 4.344 0.538 1
1 344 . 4 1 1 A 34 34 HIS C C 34 175.699 176.478 -0.779 1
1 345 . 4 1 1 A 34 34 HIS CA C 34 55.093 59.658 -4.565 1
1 346 . 4 1 1 A 34 34 HIS CB C 34 28.461 30.743 -2.282 1
1 349 . 4 1 1 A 34 34 HIS N N 34 117.627 120.427 -2.800 1
1 350 . 4 1 1 A 35 35 THR H H 35 7.805 7.513 0.292 1
1 351 . 4 1 1 A 35 35 THR HA H 35 4.368 4.370 -0.002 1
1 356 . 4 1 1 A 35 35 THR C C 35 175.388 174.422 0.966 1
1 357 . 4 1 1 A 35 35 THR CA C 35 62.548 61.677 0.871 1
1 358 . 4 1 1 A 35 35 THR CB C 35 69.779 68.197 1.582 1
1 360 . 4 1 1 A 35 35 THR N N 35 112.000 109.664 2.336 1
1 361 . 4 1 1 A 36 36 GLY H H 36 8.335 7.421 0.914 1
1 362 . 4 1 1 A 36 36 GLY HA2 H 36 4.049 4.104 -0.055 1
1 363 . 4 1 1 A 36 36 GLY HA3 H 36 4.049 4.110 -0.061 1
1 364 . 4 1 1 A 36 36 GLY C C 36 174.188 173.831 0.357 1
1 365 . 4 1 1 A 36 36 GLY CA C 36 45.444 45.492 -0.048 1
1 366 . 4 1 1 A 36 36 GLY N N 36 111.103 109.808 1.295 1
1 367 . 4 1 1 A 37 37 SER H H 37 8.231 8.468 -0.237 1
1 368 . 4 1 1 A 37 37 SER HA H 37 4.521 4.733 -0.212 1
1 371 . 4 1 1 A 37 37 SER C C 37 174.567 174.378 0.189 1
1 372 . 4 1 1 A 37 37 SER CA C 37 58.242 57.250 0.992 1
1 373 . 4 1 1 A 37 37 SER CB C 37 64.018 63.093 0.925 1
1 374 . 4 1 1 A 37 37 SER N N 37 115.371 118.421 -3.050 1
1 375 . 4 1 1 A 38 38 GLY H H 38 8.310 8.758 -0.448 1
1 376 . 4 1 1 A 38 38 GLY HA2 H 38 4.158 4.002 0.156 1
1 377 . 4 1 1 A 38 38 GLY HA3 H 38 4.094 4.005 0.089 1
1 378 . 4 1 1 A 38 38 GLY C C 38 171.799 172.933 -1.134 1
1 379 . 4 1 1 A 38 38 GLY CA C 38 44.671 44.280 0.391 1
1 380 . 4 1 1 A 38 38 GLY N N 38 110.735 114.294 -3.559 1
1 381 . 4 1 1 A 39 39 PRO HA H 39 4.476 4.629 -0.153 1
1 388 . 4 1 1 A 39 39 PRO C C 39 177.307 177.247 0.060 1
1 389 . 4 1 1 A 39 39 PRO CA C 39 63.131 62.777 0.354 1
1 390 . 4 1 1 A 39 39 PRO CB C 39 32.207 31.680 0.527 1
1 393 . 4 1 1 A 40 40 SER H H 40 8.520 8.702 -0.182 1
1 394 . 4 1 1 A 40 40 SER C C 40 174.611 173.636 0.975 1
1 395 . 4 1 1 A 40 40 SER CA C 40 58.516 57.712 0.804 1
1 396 . 4 1 1 A 40 40 SER CB C 40 64.203 63.320 0.883 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.943 4.278 -0.335 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.943 4.279 -0.336 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.561 173.566 0.995 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.444 46.219 -0.775 1
1 5 . 5 1 1 A 8 8 GLY H H 8 8.198 8.362 -0.164 1
1 6 . 5 1 1 A 8 8 GLY HA2 H 8 3.922 4.022 -0.100 1
1 7 . 5 1 1 A 8 8 GLY HA3 H 8 3.922 4.027 -0.105 1
1 8 . 5 1 1 A 8 8 GLY C C 8 174.018 173.592 0.426 1
1 9 . 5 1 1 A 8 8 GLY CA C 8 45.107 45.466 -0.359 1
1 10 . 5 1 1 A 8 8 GLY N N 8 108.415 107.989 0.426 1
1 11 . 5 1 1 A 9 9 GLU H H 9 8.350 7.606 0.744 1
1 12 . 5 1 1 A 9 9 GLU HA H 9 4.173 4.965 -0.792 1
1 17 . 5 1 1 A 9 9 GLU C C 9 176.393 174.649 1.744 1
1 18 . 5 1 1 A 9 9 GLU CA C 9 56.942 54.771 2.171 1
1 19 . 5 1 1 A 9 9 GLU CB C 9 30.240 32.493 -2.253 1
1 21 . 5 1 1 A 9 9 GLU N N 9 120.444 115.784 4.660 1
1 22 . 5 1 1 A 10 10 LYS H H 10 8.332 8.477 -0.145 1
1 23 . 5 1 1 A 10 10 LYS HA H 10 4.543 4.981 -0.438 1
1 32 . 5 1 1 A 10 10 LYS C C 10 174.428 175.326 -0.898 1
1 33 . 5 1 1 A 10 10 LYS CA C 10 53.930 53.156 0.774 1
1 34 . 5 1 1 A 10 10 LYS CB C 10 33.487 34.840 -1.353 1
1 38 . 5 1 1 A 10 10 LYS N N 10 121.692 122.704 -1.012 1
1 39 . 5 1 1 A 11 11 PRO HA H 11 4.207 4.319 -0.112 1
1 46 . 5 1 1 A 11 11 PRO C C 11 176.513 175.847 0.666 1
1 47 . 5 1 1 A 11 11 PRO CA C 11 63.793 64.766 -0.973 1
1 48 . 5 1 1 A 11 11 PRO CB C 11 32.413 31.724 0.689 1
1 51 . 5 1 1 A 12 12 TYR H H 12 7.673 7.170 0.503 1
1 52 . 5 1 1 A 12 12 TYR HA H 12 4.713 4.773 -0.060 1
1 59 . 5 1 1 A 12 12 TYR C C 12 174.235 175.236 -1.001 1
1 60 . 5 1 1 A 12 12 TYR CA C 12 57.962 58.295 -0.333 1
1 61 . 5 1 1 A 12 12 TYR CB C 12 39.042 39.874 -0.832 1
1 66 . 5 1 1 A 12 12 TYR N N 12 117.472 118.244 -0.772 1
1 67 . 5 1 1 A 13 13 LYS H H 13 8.748 8.944 -0.196 1
1 68 . 5 1 1 A 13 13 LYS HA H 13 5.148 5.399 -0.251 1
1 77 . 5 1 1 A 13 13 LYS C C 13 174.652 174.920 -0.268 1
1 78 . 5 1 1 A 13 13 LYS CA C 13 54.661 54.668 -0.007 1
1 79 . 5 1 1 A 13 13 LYS CB C 13 36.500 36.423 0.077 1
1 83 . 5 1 1 A 13 13 LYS N N 13 124.877 123.017 1.860 1
1 84 . 5 1 1 A 14 14 CYS H H 14 9.450 9.464 -0.014 1
1 85 . 5 1 1 A 14 14 CYS HA H 14 4.588 4.703 -0.115 1
1 88 . 5 1 1 A 14 14 CYS C C 14 177.307 175.976 1.331 1
1 89 . 5 1 1 A 14 14 CYS CA C 14 59.198 58.605 0.593 1
1 90 . 5 1 1 A 14 14 CYS CB C 14 29.918 28.311 1.607 1
1 91 . 5 1 1 A 14 14 CYS N N 14 128.056 124.884 3.172 1
1 92 . 5 1 1 A 15 15 GLU H H 15 9.541 9.033 0.508 1
1 93 . 5 1 1 A 15 15 GLU HA H 15 4.161 4.172 -0.011 1
1 98 . 5 1 1 A 15 15 GLU C C 15 176.855 178.706 -1.851 1
1 99 . 5 1 1 A 15 15 GLU CA C 15 58.462 59.289 -0.827 1
1 100 . 5 1 1 A 15 15 GLU CB C 15 29.612 29.505 0.107 1
1 102 . 5 1 1 A 15 15 GLU N N 15 131.947 128.014 3.933 1
1 103 . 5 1 1 A 16 16 THR H H 16 8.761 7.750 1.011 1
1 104 . 5 1 1 A 16 16 THR HA H 16 4.016 3.863 0.153 1
1 109 . 5 1 1 A 16 16 THR C C 16 174.867 175.659 -0.792 1
1 110 . 5 1 1 A 16 16 THR CA C 16 66.144 66.185 -0.041 1
1 111 . 5 1 1 A 16 16 THR CB C 16 68.802 68.454 0.348 1
1 113 . 5 1 1 A 16 16 THR N N 16 118.440 117.506 0.934 1
1 114 . 5 1 1 A 17 17 CYS H H 17 8.259 7.349 0.910 1
1 115 . 5 1 1 A 17 17 CYS HA H 17 5.198 4.674 0.524 1
1 118 . 5 1 1 A 17 17 CYS C C 17 176.245 175.798 0.447 1
1 119 . 5 1 1 A 17 17 CYS CA C 17 58.242 59.302 -1.060 1
1 120 . 5 1 1 A 17 17 CYS CB C 17 32.889 30.275 2.614 1
1 121 . 5 1 1 A 17 17 CYS N N 17 118.012 115.455 2.557 1
1 122 . 5 1 1 A 18 18 GLY H H 18 8.142 8.146 -0.004 1
1 123 . 5 1 1 A 18 18 GLY HA2 H 18 3.685 4.070 -0.385 1
1 124 . 5 1 1 A 18 18 GLY HA3 H 18 4.275 4.081 0.194 1
1 125 . 5 1 1 A 18 18 GLY C C 18 173.304 174.757 -1.453 1
1 126 . 5 1 1 A 18 18 GLY CA C 18 46.166 45.213 0.953 1
1 127 . 5 1 1 A 18 18 GLY N N 18 113.635 109.858 3.777 1
1 128 . 5 1 1 A 19 19 ALA H H 19 8.257 7.648 0.609 1
1 129 . 5 1 1 A 19 19 ALA HA H 19 4.006 4.305 -0.299 1
1 133 . 5 1 1 A 19 19 ALA C C 19 175.055 175.903 -0.848 1
1 134 . 5 1 1 A 19 19 ALA CA C 19 53.537 51.937 1.600 1
1 135 . 5 1 1 A 19 19 ALA CB C 19 19.738 20.269 -0.531 1
1 136 . 5 1 1 A 19 19 ALA N N 19 125.690 123.994 1.696 1
1 137 . 5 1 1 A 20 20 ARG H H 20 7.669 7.978 -0.309 1
1 138 . 5 1 1 A 20 20 ARG HA H 20 5.257 5.409 -0.152 1
1 145 . 5 1 1 A 20 20 ARG C C 20 175.609 174.501 1.108 1
1 146 . 5 1 1 A 20 20 ARG CA C 20 54.238 54.272 -0.034 1
1 147 . 5 1 1 A 20 20 ARG CB C 20 34.243 34.664 -0.421 1
1 150 . 5 1 1 A 20 20 ARG N N 20 117.237 116.844 0.393 1
1 151 . 5 1 1 A 21 21 PHE H H 21 8.754 9.001 -0.247 1
1 152 . 5 1 1 A 21 21 PHE HA H 21 4.856 4.969 -0.113 1
1 160 . 5 1 1 A 21 21 PHE C C 21 175.009 175.487 -0.478 1
1 161 . 5 1 1 A 21 21 PHE CA C 21 57.344 56.739 0.605 1
1 162 . 5 1 1 A 21 21 PHE CB C 21 44.452 43.239 1.213 1
1 168 . 5 1 1 A 21 21 PHE N N 21 116.093 119.095 -3.002 1
1 169 . 5 1 1 A 22 22 VAL H H 22 9.432 8.816 0.616 1
1 170 . 5 1 1 A 22 22 VAL HA H 22 4.298 4.114 0.184 1
1 178 . 5 1 1 A 22 22 VAL C C 22 175.477 175.495 -0.018 1
1 179 . 5 1 1 A 22 22 VAL CA C 22 64.474 64.117 0.357 1
1 180 . 5 1 1 A 22 22 VAL CB C 22 33.259 32.952 0.307 1
1 183 . 5 1 1 A 22 22 VAL N N 22 119.283 121.623 -2.340 1
1 184 . 5 1 1 A 23 23 GLN H H 23 7.243 7.514 -0.271 1
1 185 . 5 1 1 A 23 23 GLN HA H 23 4.810 4.664 0.146 1
1 192 . 5 1 1 A 23 23 GLN C C 23 176.882 174.953 1.929 1
1 193 . 5 1 1 A 23 23 GLN CA C 23 53.454 53.692 -0.238 1
1 194 . 5 1 1 A 23 23 GLN CB C 23 30.682 30.988 -0.306 1
1 196 . 5 1 1 A 23 23 GLN N N 23 113.909 118.227 -4.318 1
1 198 . 5 1 1 A 24 24 VAL H H 24 8.554 7.722 0.832 1
1 199 . 5 1 1 A 24 24 VAL HA H 24 2.960 2.990 -0.030 1
1 207 . 5 1 1 A 24 24 VAL C C 24 177.337 177.205 0.132 1
1 208 . 5 1 1 A 24 24 VAL CA C 24 65.388 64.462 0.926 1
1 209 . 5 1 1 A 24 24 VAL CB C 24 30.927 31.196 -0.269 1
1 212 . 5 1 1 A 24 24 VAL N N 24 126.915 124.244 2.671 1
1 213 . 5 1 1 A 25 25 ALA H H 25 8.531 8.069 0.462 1
1 214 . 5 1 1 A 25 25 ALA HA H 25 3.933 3.960 -0.027 1
1 218 . 5 1 1 A 25 25 ALA C C 25 180.524 179.441 1.083 1
1 219 . 5 1 1 A 25 25 ALA CA C 25 55.073 54.905 0.168 1
1 220 . 5 1 1 A 25 25 ALA CB C 25 18.311 18.549 -0.238 1
1 221 . 5 1 1 A 25 25 ALA N N 25 122.114 122.711 -0.597 1
1 222 . 5 1 1 A 26 26 HIS H H 26 6.892 7.409 -0.517 1
1 223 . 5 1 1 A 26 26 HIS HA H 26 4.436 4.330 0.106 1
1 228 . 5 1 1 A 26 26 HIS C C 26 178.267 177.379 0.888 1
1 229 . 5 1 1 A 26 26 HIS CA C 26 56.426 59.423 -2.997 1
1 230 . 5 1 1 A 26 26 HIS CB C 26 31.750 30.668 1.082 1
1 233 . 5 1 1 A 26 26 HIS N N 26 115.625 115.246 0.379 1
1 234 . 5 1 1 A 27 27 LEU H H 27 6.854 7.477 -0.623 1
1 235 . 5 1 1 A 27 27 LEU HA H 27 3.189 2.292 0.897 1
1 245 . 5 1 1 A 27 27 LEU C C 27 177.246 178.179 -0.933 1
1 246 . 5 1 1 A 27 27 LEU CA C 27 57.874 57.472 0.402 1
1 247 . 5 1 1 A 27 27 LEU CB C 27 40.685 41.430 -0.745 1
1 251 . 5 1 1 A 27 27 LEU N N 27 122.027 120.410 1.617 1
1 252 . 5 1 1 A 28 28 ARG H H 28 8.252 8.732 -0.480 1
1 253 . 5 1 1 A 28 28 ARG HA H 28 3.867 4.059 -0.192 1
1 260 . 5 1 1 A 28 28 ARG C C 28 178.248 177.422 0.826 1
1 261 . 5 1 1 A 28 28 ARG CA C 28 59.410 57.958 1.452 1
1 262 . 5 1 1 A 28 28 ARG CB C 28 29.762 29.318 0.444 1
1 265 . 5 1 1 A 28 28 ARG N N 28 117.010 117.794 -0.784 1
1 266 . 5 1 1 A 29 29 ALA H H 29 7.223 7.672 -0.449 1
1 267 . 5 1 1 A 29 29 ALA HA H 29 4.146 4.227 -0.081 1
1 271 . 5 1 1 A 29 29 ALA C C 29 179.428 179.146 0.282 1
1 272 . 5 1 1 A 29 29 ALA CA C 29 54.170 53.392 0.778 1
1 273 . 5 1 1 A 29 29 ALA CB C 29 18.345 19.041 -0.696 1
1 274 . 5 1 1 A 29 29 ALA N N 29 118.170 120.821 -2.651 1
1 275 . 5 1 1 A 30 30 HIS H H 30 7.527 8.152 -0.625 1
1 276 . 5 1 1 A 30 30 HIS HA H 30 4.166 4.290 -0.124 1
1 281 . 5 1 1 A 30 30 HIS C C 30 176.978 177.060 -0.082 1
1 282 . 5 1 1 A 30 30 HIS CA C 30 59.490 58.778 0.712 1
1 283 . 5 1 1 A 30 30 HIS CB C 30 28.889 30.276 -1.387 1
1 286 . 5 1 1 A 30 30 HIS N N 30 118.012 118.810 -0.798 1
1 287 . 5 1 1 A 31 31 VAL H H 31 8.251 8.524 -0.273 1
1 288 . 5 1 1 A 31 31 VAL HA H 31 3.659 3.909 -0.250 1
1 296 . 5 1 1 A 31 31 VAL C C 31 177.594 177.847 -0.253 1
1 297 . 5 1 1 A 31 31 VAL CA C 31 65.958 65.579 0.379 1
1 298 . 5 1 1 A 31 31 VAL CB C 31 31.636 31.481 0.155 1
1 301 . 5 1 1 A 31 31 VAL N N 31 112.141 117.246 -5.105 1
1 302 . 5 1 1 A 32 32 LEU H H 32 6.906 7.892 -0.986 1
1 303 . 5 1 1 A 32 32 LEU HA H 32 4.135 4.019 0.116 1
1 313 . 5 1 1 A 32 32 LEU C C 32 179.626 179.266 0.360 1
1 314 . 5 1 1 A 32 32 LEU CA C 32 56.826 57.309 -0.483 1
1 315 . 5 1 1 A 32 32 LEU CB C 32 41.476 41.248 0.228 1
1 319 . 5 1 1 A 32 32 LEU N N 32 119.239 121.654 -2.415 1
1 320 . 5 1 1 A 33 33 ILE H H 33 7.880 7.593 0.287 1
1 321 . 5 1 1 A 33 33 ILE HA H 33 3.971 3.681 0.290 1
1 331 . 5 1 1 A 33 33 ILE C C 33 177.546 177.925 -0.379 1
1 332 . 5 1 1 A 33 33 ILE CA C 33 63.138 64.518 -1.380 1
1 333 . 5 1 1 A 33 33 ILE CB C 33 37.587 37.256 0.331 1
1 337 . 5 1 1 A 33 33 ILE N N 33 116.394 115.565 0.829 1
1 338 . 5 1 1 A 34 34 HIS H H 34 7.360 7.574 -0.214 1
1 339 . 5 1 1 A 34 34 HIS HA H 34 4.882 4.360 0.522 1
1 344 . 5 1 1 A 34 34 HIS C C 34 175.699 176.620 -0.921 1
1 345 . 5 1 1 A 34 34 HIS CA C 34 55.093 59.741 -4.648 1
1 346 . 5 1 1 A 34 34 HIS CB C 34 28.461 30.375 -1.914 1
1 349 . 5 1 1 A 34 34 HIS N N 34 117.627 120.474 -2.847 1
1 350 . 5 1 1 A 35 35 THR H H 35 7.805 7.237 0.568 1
1 351 . 5 1 1 A 35 35 THR HA H 35 4.368 4.346 0.022 1
1 356 . 5 1 1 A 35 35 THR C C 35 175.388 173.828 1.560 1
1 357 . 5 1 1 A 35 35 THR CA C 35 62.548 61.820 0.728 1
1 358 . 5 1 1 A 35 35 THR CB C 35 69.779 67.852 1.927 1
1 360 . 5 1 1 A 35 35 THR N N 35 112.000 112.709 -0.709 1
1 361 . 5 1 1 A 36 36 GLY H H 36 8.335 7.884 0.451 1
1 362 . 5 1 1 A 36 36 GLY HA2 H 36 4.049 4.196 -0.147 1
1 363 . 5 1 1 A 36 36 GLY HA3 H 36 4.049 4.210 -0.161 1
1 364 . 5 1 1 A 36 36 GLY C C 36 174.188 172.768 1.420 1
1 365 . 5 1 1 A 36 36 GLY CA C 36 45.444 43.890 1.554 1
1 366 . 5 1 1 A 36 36 GLY N N 36 111.103 110.398 0.705 1
1 367 . 5 1 1 A 37 37 SER H H 37 8.231 8.716 -0.485 1
1 368 . 5 1 1 A 37 37 SER HA H 37 4.521 5.377 -0.856 1
1 371 . 5 1 1 A 37 37 SER C C 37 174.567 173.574 0.993 1
1 372 . 5 1 1 A 37 37 SER CA C 37 58.242 56.103 2.139 1
1 373 . 5 1 1 A 37 37 SER CB C 37 64.018 66.085 -2.067 1
1 374 . 5 1 1 A 37 37 SER N N 37 115.371 113.392 1.979 1
1 375 . 5 1 1 A 38 38 GLY H H 38 8.310 8.352 -0.042 1
1 376 . 5 1 1 A 38 38 GLY HA2 H 38 4.158 4.222 -0.064 1
1 377 . 5 1 1 A 38 38 GLY HA3 H 38 4.094 4.225 -0.131 1
1 378 . 5 1 1 A 38 38 GLY C C 38 171.799 174.186 -2.387 1
1 379 . 5 1 1 A 38 38 GLY CA C 38 44.671 45.111 -0.440 1
1 380 . 5 1 1 A 38 38 GLY N N 38 110.735 108.216 2.519 1
1 381 . 5 1 1 A 39 39 PRO HA H 39 4.476 4.486 -0.010 1
1 388 . 5 1 1 A 39 39 PRO C C 39 177.307 177.055 0.252 1
1 389 . 5 1 1 A 39 39 PRO CA C 39 63.131 64.096 -0.965 1
1 390 . 5 1 1 A 39 39 PRO CB C 39 32.207 31.881 0.326 1
1 393 . 5 1 1 A 40 40 SER H H 40 8.520 7.787 0.733 1
1 394 . 5 1 1 A 40 40 SER C C 40 174.611 174.361 0.250 1
1 395 . 5 1 1 A 40 40 SER CA C 40 58.516 59.241 -0.725 1
1 396 . 5 1 1 A 40 40 SER CB C 40 64.203 63.601 0.602 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.943 4.057 -0.114 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.943 4.058 -0.115 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.561 173.964 0.597 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.444 44.300 1.144 1
1 5 . 6 1 1 A 8 8 GLY H H 8 8.198 8.522 -0.324 1
1 6 . 6 1 1 A 8 8 GLY HA2 H 8 3.922 4.160 -0.238 1
1 7 . 6 1 1 A 8 8 GLY HA3 H 8 3.922 4.167 -0.245 1
1 8 . 6 1 1 A 8 8 GLY C C 8 174.018 172.671 1.347 1
1 9 . 6 1 1 A 8 8 GLY CA C 8 45.107 44.415 0.692 1
1 10 . 6 1 1 A 8 8 GLY N N 8 108.415 107.787 0.628 1
1 11 . 6 1 1 A 9 9 GLU H H 9 8.350 8.555 -0.205 1
1 12 . 6 1 1 A 9 9 GLU HA H 9 4.173 5.166 -0.993 1
1 17 . 6 1 1 A 9 9 GLU C C 9 176.393 175.167 1.226 1
1 18 . 6 1 1 A 9 9 GLU CA C 9 56.942 55.273 1.669 1
1 19 . 6 1 1 A 9 9 GLU CB C 9 30.240 31.387 -1.147 1
1 21 . 6 1 1 A 9 9 GLU N N 9 120.444 119.856 0.588 1
1 22 . 6 1 1 A 10 10 LYS H H 10 8.332 8.362 -0.030 1
1 23 . 6 1 1 A 10 10 LYS HA H 10 4.543 4.917 -0.374 1
1 32 . 6 1 1 A 10 10 LYS C C 10 174.428 175.574 -1.146 1
1 33 . 6 1 1 A 10 10 LYS CA C 10 53.930 53.027 0.903 1
1 34 . 6 1 1 A 10 10 LYS CB C 10 33.487 35.151 -1.664 1
1 38 . 6 1 1 A 10 10 LYS N N 10 121.692 124.645 -2.953 1
1 39 . 6 1 1 A 11 11 PRO HA H 11 4.207 4.297 -0.090 1
1 46 . 6 1 1 A 11 11 PRO C C 11 176.513 175.855 0.658 1
1 47 . 6 1 1 A 11 11 PRO CA C 11 63.793 64.720 -0.927 1
1 48 . 6 1 1 A 11 11 PRO CB C 11 32.413 31.705 0.708 1
1 51 . 6 1 1 A 12 12 TYR H H 12 7.673 7.187 0.486 1
1 52 . 6 1 1 A 12 12 TYR HA H 12 4.713 4.711 0.002 1
1 59 . 6 1 1 A 12 12 TYR C C 12 174.235 175.363 -1.128 1
1 60 . 6 1 1 A 12 12 TYR CA C 12 57.962 58.399 -0.437 1
1 61 . 6 1 1 A 12 12 TYR CB C 12 39.042 39.800 -0.758 1
1 66 . 6 1 1 A 12 12 TYR N N 12 117.472 118.253 -0.781 1
1 67 . 6 1 1 A 13 13 LYS H H 13 8.748 8.916 -0.168 1
1 68 . 6 1 1 A 13 13 LYS HA H 13 5.148 5.376 -0.228 1
1 77 . 6 1 1 A 13 13 LYS C C 13 174.652 174.888 -0.236 1
1 78 . 6 1 1 A 13 13 LYS CA C 13 54.661 54.756 -0.095 1
1 79 . 6 1 1 A 13 13 LYS CB C 13 36.500 36.280 0.220 1
1 83 . 6 1 1 A 13 13 LYS N N 13 124.877 122.928 1.949 1
1 84 . 6 1 1 A 14 14 CYS H H 14 9.450 9.453 -0.003 1
1 85 . 6 1 1 A 14 14 CYS HA H 14 4.588 4.679 -0.091 1
1 88 . 6 1 1 A 14 14 CYS C C 14 177.307 175.980 1.327 1
1 89 . 6 1 1 A 14 14 CYS CA C 14 59.198 58.532 0.666 1
1 90 . 6 1 1 A 14 14 CYS CB C 14 29.918 28.384 1.534 1
1 91 . 6 1 1 A 14 14 CYS N N 14 128.056 124.953 3.103 1
1 92 . 6 1 1 A 15 15 GLU H H 15 9.541 9.049 0.492 1
1 93 . 6 1 1 A 15 15 GLU HA H 15 4.161 4.149 0.012 1
1 98 . 6 1 1 A 15 15 GLU C C 15 176.855 178.703 -1.848 1
1 99 . 6 1 1 A 15 15 GLU CA C 15 58.462 59.339 -0.877 1
1 100 . 6 1 1 A 15 15 GLU CB C 15 29.612 29.531 0.081 1
1 102 . 6 1 1 A 15 15 GLU N N 15 131.947 128.038 3.909 1
1 103 . 6 1 1 A 16 16 THR H H 16 8.761 7.813 0.948 1
1 104 . 6 1 1 A 16 16 THR HA H 16 4.016 3.796 0.220 1
1 109 . 6 1 1 A 16 16 THR C C 16 174.867 175.773 -0.906 1
1 110 . 6 1 1 A 16 16 THR CA C 16 66.144 66.405 -0.261 1
1 111 . 6 1 1 A 16 16 THR CB C 16 68.802 68.069 0.733 1
1 113 . 6 1 1 A 16 16 THR N N 16 118.440 117.200 1.240 1
1 114 . 6 1 1 A 17 17 CYS H H 17 8.259 7.784 0.475 1
1 115 . 6 1 1 A 17 17 CYS HA H 17 5.198 4.661 0.537 1
1 118 . 6 1 1 A 17 17 CYS C C 17 176.245 175.682 0.563 1
1 119 . 6 1 1 A 17 17 CYS CA C 17 58.242 59.273 -1.031 1
1 120 . 6 1 1 A 17 17 CYS CB C 17 32.889 30.324 2.565 1
1 121 . 6 1 1 A 17 17 CYS N N 17 118.012 115.552 2.460 1
1 122 . 6 1 1 A 18 18 GLY H H 18 8.142 8.160 -0.018 1
1 123 . 6 1 1 A 18 18 GLY HA2 H 18 3.685 4.065 -0.380 1
1 124 . 6 1 1 A 18 18 GLY HA3 H 18 4.275 4.074 0.201 1
1 125 . 6 1 1 A 18 18 GLY C C 18 173.304 174.775 -1.471 1
1 126 . 6 1 1 A 18 18 GLY CA C 18 46.166 45.230 0.936 1
1 127 . 6 1 1 A 18 18 GLY N N 18 113.635 110.057 3.578 1
1 128 . 6 1 1 A 19 19 ALA H H 19 8.257 7.652 0.605 1
1 129 . 6 1 1 A 19 19 ALA HA H 19 4.006 4.295 -0.289 1
1 133 . 6 1 1 A 19 19 ALA C C 19 175.055 175.925 -0.870 1
1 134 . 6 1 1 A 19 19 ALA CA C 19 53.537 51.946 1.591 1
1 135 . 6 1 1 A 19 19 ALA CB C 19 19.738 20.230 -0.492 1
1 136 . 6 1 1 A 19 19 ALA N N 19 125.690 124.001 1.689 1
1 137 . 6 1 1 A 20 20 ARG H H 20 7.669 7.980 -0.311 1
1 138 . 6 1 1 A 20 20 ARG HA H 20 5.257 5.426 -0.169 1
1 145 . 6 1 1 A 20 20 ARG C C 20 175.609 174.491 1.118 1
1 146 . 6 1 1 A 20 20 ARG CA C 20 54.238 54.172 0.066 1
1 147 . 6 1 1 A 20 20 ARG CB C 20 34.243 34.751 -0.508 1
1 150 . 6 1 1 A 20 20 ARG N N 20 117.237 116.945 0.292 1
1 151 . 6 1 1 A 21 21 PHE H H 21 8.754 9.002 -0.248 1
1 152 . 6 1 1 A 21 21 PHE HA H 21 4.856 4.972 -0.116 1
1 160 . 6 1 1 A 21 21 PHE C C 21 175.009 175.496 -0.487 1
1 161 . 6 1 1 A 21 21 PHE CA C 21 57.344 56.808 0.536 1
1 162 . 6 1 1 A 21 21 PHE CB C 21 44.452 43.215 1.237 1
1 168 . 6 1 1 A 21 21 PHE N N 21 116.093 119.094 -3.001 1
1 169 . 6 1 1 A 22 22 VAL H H 22 9.432 8.792 0.640 1
1 170 . 6 1 1 A 22 22 VAL HA H 22 4.298 4.113 0.185 1
1 178 . 6 1 1 A 22 22 VAL C C 22 175.477 175.325 0.152 1
1 179 . 6 1 1 A 22 22 VAL CA C 22 64.474 64.075 0.399 1
1 180 . 6 1 1 A 22 22 VAL CB C 22 33.259 32.879 0.380 1
1 183 . 6 1 1 A 22 22 VAL N N 22 119.283 121.641 -2.358 1
1 184 . 6 1 1 A 23 23 GLN H H 23 7.243 7.506 -0.263 1
1 185 . 6 1 1 A 23 23 GLN HA H 23 4.810 4.648 0.162 1
1 192 . 6 1 1 A 23 23 GLN C C 23 176.882 174.967 1.915 1
1 193 . 6 1 1 A 23 23 GLN CA C 23 53.454 53.767 -0.313 1
1 194 . 6 1 1 A 23 23 GLN CB C 23 30.682 30.932 -0.250 1
1 196 . 6 1 1 A 23 23 GLN N N 23 113.909 118.010 -4.101 1
1 198 . 6 1 1 A 24 24 VAL H H 24 8.554 7.720 0.834 1
1 199 . 6 1 1 A 24 24 VAL HA H 24 2.960 3.018 -0.058 1
1 207 . 6 1 1 A 24 24 VAL C C 24 177.337 177.180 0.157 1
1 208 . 6 1 1 A 24 24 VAL CA C 24 65.388 64.353 1.035 1
1 209 . 6 1 1 A 24 24 VAL CB C 24 30.927 31.229 -0.302 1
1 212 . 6 1 1 A 24 24 VAL N N 24 126.915 123.949 2.966 1
1 213 . 6 1 1 A 25 25 ALA H H 25 8.531 8.073 0.458 1
1 214 . 6 1 1 A 25 25 ALA HA H 25 3.933 3.957 -0.024 1
1 218 . 6 1 1 A 25 25 ALA C C 25 180.524 179.516 1.008 1
1 219 . 6 1 1 A 25 25 ALA CA C 25 55.073 54.989 0.084 1
1 220 . 6 1 1 A 25 25 ALA CB C 25 18.311 18.503 -0.192 1
1 221 . 6 1 1 A 25 25 ALA N N 25 122.114 122.583 -0.469 1
1 222 . 6 1 1 A 26 26 HIS H H 26 6.892 7.463 -0.571 1
1 223 . 6 1 1 A 26 26 HIS HA H 26 4.436 4.333 0.103 1
1 228 . 6 1 1 A 26 26 HIS C C 26 178.267 177.359 0.908 1
1 229 . 6 1 1 A 26 26 HIS CA C 26 56.426 59.403 -2.977 1
1 230 . 6 1 1 A 26 26 HIS CB C 26 31.750 30.630 1.120 1
1 233 . 6 1 1 A 26 26 HIS N N 26 115.625 115.058 0.567 1
1 234 . 6 1 1 A 27 27 LEU H H 27 6.854 7.462 -0.608 1
1 235 . 6 1 1 A 27 27 LEU HA H 27 3.189 2.259 0.930 1
1 245 . 6 1 1 A 27 27 LEU C C 27 177.246 178.224 -0.978 1
1 246 . 6 1 1 A 27 27 LEU CA C 27 57.874 57.503 0.371 1
1 247 . 6 1 1 A 27 27 LEU CB C 27 40.685 41.434 -0.749 1
1 251 . 6 1 1 A 27 27 LEU N N 27 122.027 120.391 1.636 1
1 252 . 6 1 1 A 28 28 ARG H H 28 8.252 8.737 -0.485 1
1 253 . 6 1 1 A 28 28 ARG HA H 28 3.867 4.066 -0.199 1
1 260 . 6 1 1 A 28 28 ARG C C 28 178.248 177.442 0.806 1
1 261 . 6 1 1 A 28 28 ARG CA C 28 59.410 57.955 1.455 1
1 262 . 6 1 1 A 28 28 ARG CB C 28 29.762 29.268 0.494 1
1 265 . 6 1 1 A 28 28 ARG N N 28 117.010 117.789 -0.779 1
1 266 . 6 1 1 A 29 29 ALA H H 29 7.223 7.665 -0.442 1
1 267 . 6 1 1 A 29 29 ALA HA H 29 4.146 4.227 -0.081 1
1 271 . 6 1 1 A 29 29 ALA C C 29 179.428 179.148 0.280 1
1 272 . 6 1 1 A 29 29 ALA CA C 29 54.170 53.403 0.767 1
1 273 . 6 1 1 A 29 29 ALA CB C 29 18.345 19.054 -0.709 1
1 274 . 6 1 1 A 29 29 ALA N N 29 118.170 120.846 -2.676 1
1 275 . 6 1 1 A 30 30 HIS H H 30 7.527 8.231 -0.704 1
1 276 . 6 1 1 A 30 30 HIS HA H 30 4.166 4.293 -0.127 1
1 281 . 6 1 1 A 30 30 HIS C C 30 176.978 177.079 -0.101 1
1 282 . 6 1 1 A 30 30 HIS CA C 30 59.490 59.000 0.490 1
1 283 . 6 1 1 A 30 30 HIS CB C 30 28.889 30.292 -1.403 1
1 286 . 6 1 1 A 30 30 HIS N N 30 118.012 118.810 -0.798 1
1 287 . 6 1 1 A 31 31 VAL H H 31 8.251 8.436 -0.185 1
1 288 . 6 1 1 A 31 31 VAL HA H 31 3.659 3.941 -0.282 1
1 296 . 6 1 1 A 31 31 VAL C C 31 177.594 177.793 -0.199 1
1 297 . 6 1 1 A 31 31 VAL CA C 31 65.958 65.442 0.516 1
1 298 . 6 1 1 A 31 31 VAL CB C 31 31.636 31.499 0.137 1
1 301 . 6 1 1 A 31 31 VAL N N 31 112.141 117.249 -5.108 1
1 302 . 6 1 1 A 32 32 LEU H H 32 6.906 7.876 -0.970 1
1 303 . 6 1 1 A 32 32 LEU HA H 32 4.135 4.034 0.101 1
1 313 . 6 1 1 A 32 32 LEU C C 32 179.626 179.347 0.279 1
1 314 . 6 1 1 A 32 32 LEU CA C 32 56.826 57.263 -0.437 1
1 315 . 6 1 1 A 32 32 LEU CB C 32 41.476 41.253 0.223 1
1 319 . 6 1 1 A 32 32 LEU N N 32 119.239 121.463 -2.224 1
1 320 . 6 1 1 A 33 33 ILE H H 33 7.880 7.607 0.273 1
1 321 . 6 1 1 A 33 33 ILE HA H 33 3.971 3.639 0.332 1
1 331 . 6 1 1 A 33 33 ILE C C 33 177.546 177.983 -0.437 1
1 332 . 6 1 1 A 33 33 ILE CA C 33 63.138 64.395 -1.257 1
1 333 . 6 1 1 A 33 33 ILE CB C 33 37.587 37.246 0.341 1
1 337 . 6 1 1 A 33 33 ILE N N 33 116.394 115.515 0.879 1
1 338 . 6 1 1 A 34 34 HIS H H 34 7.360 7.385 -0.025 1
1 339 . 6 1 1 A 34 34 HIS HA H 34 4.882 4.420 0.462 1
1 344 . 6 1 1 A 34 34 HIS C C 34 175.699 176.738 -1.039 1
1 345 . 6 1 1 A 34 34 HIS CA C 34 55.093 58.999 -3.906 1
1 346 . 6 1 1 A 34 34 HIS CB C 34 28.461 30.203 -1.742 1
1 349 . 6 1 1 A 34 34 HIS N N 34 117.627 120.389 -2.762 1
1 350 . 6 1 1 A 35 35 THR H H 35 7.805 7.303 0.502 1
1 351 . 6 1 1 A 35 35 THR HA H 35 4.368 4.270 0.098 1
1 356 . 6 1 1 A 35 35 THR C C 35 175.388 173.280 2.108 1
1 357 . 6 1 1 A 35 35 THR CA C 35 62.548 61.372 1.176 1
1 358 . 6 1 1 A 35 35 THR CB C 35 69.779 67.632 2.147 1
1 360 . 6 1 1 A 35 35 THR N N 35 112.000 111.004 0.996 1
1 361 . 6 1 1 A 36 36 GLY H H 36 8.335 8.725 -0.390 1
1 362 . 6 1 1 A 36 36 GLY HA2 H 36 4.049 4.298 -0.249 1
1 363 . 6 1 1 A 36 36 GLY HA3 H 36 4.049 4.303 -0.254 1
1 364 . 6 1 1 A 36 36 GLY C C 36 174.188 172.418 1.770 1
1 365 . 6 1 1 A 36 36 GLY CA C 36 45.444 44.093 1.351 1
1 366 . 6 1 1 A 36 36 GLY N N 36 111.103 115.592 -4.489 1
1 367 . 6 1 1 A 37 37 SER H H 37 8.231 8.769 -0.538 1
1 368 . 6 1 1 A 37 37 SER HA H 37 4.521 4.410 0.111 1
1 371 . 6 1 1 A 37 37 SER C C 37 174.567 174.434 0.133 1
1 372 . 6 1 1 A 37 37 SER CA C 37 58.242 59.622 -1.380 1
1 373 . 6 1 1 A 37 37 SER CB C 37 64.018 62.936 1.082 1
1 374 . 6 1 1 A 37 37 SER N N 37 115.371 116.598 -1.227 1
1 375 . 6 1 1 A 38 38 GLY H H 38 8.310 8.508 -0.198 1
1 376 . 6 1 1 A 38 38 GLY HA2 H 38 4.158 4.078 0.080 1
1 377 . 6 1 1 A 38 38 GLY HA3 H 38 4.094 4.079 0.015 1
1 378 . 6 1 1 A 38 38 GLY C C 38 171.799 173.523 -1.724 1
1 379 . 6 1 1 A 38 38 GLY CA C 38 44.671 43.938 0.733 1
1 380 . 6 1 1 A 38 38 GLY N N 38 110.735 114.118 -3.383 1
1 381 . 6 1 1 A 39 39 PRO HA H 39 4.476 4.675 -0.199 1
1 388 . 6 1 1 A 39 39 PRO C C 39 177.307 176.722 0.585 1
1 389 . 6 1 1 A 39 39 PRO CA C 39 63.131 62.621 0.510 1
1 390 . 6 1 1 A 39 39 PRO CB C 39 32.207 32.098 0.109 1
1 393 . 6 1 1 A 40 40 SER H H 40 8.520 8.351 0.169 1
1 394 . 6 1 1 A 40 40 SER C C 40 174.611 175.697 -1.086 1
1 395 . 6 1 1 A 40 40 SER CA C 40 58.516 57.654 0.862 1
1 396 . 6 1 1 A 40 40 SER CB C 40 64.203 62.584 1.619 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.943 3.862 0.081 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.943 3.864 0.079 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.561 174.459 0.102 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.444 47.002 -1.558 1
1 5 . 7 1 1 A 8 8 GLY H H 8 8.198 7.995 0.203 1
1 6 . 7 1 1 A 8 8 GLY HA2 H 8 3.922 4.300 -0.378 1
1 7 . 7 1 1 A 8 8 GLY HA3 H 8 3.922 4.307 -0.385 1
1 8 . 7 1 1 A 8 8 GLY C C 8 174.018 172.847 1.171 1
1 9 . 7 1 1 A 8 8 GLY CA C 8 45.107 44.501 0.606 1
1 10 . 7 1 1 A 8 8 GLY N N 8 108.415 106.666 1.749 1
1 11 . 7 1 1 A 9 9 GLU H H 9 8.350 8.756 -0.406 1
1 12 . 7 1 1 A 9 9 GLU HA H 9 4.173 5.074 -0.901 1
1 17 . 7 1 1 A 9 9 GLU C C 9 176.393 175.558 0.835 1
1 18 . 7 1 1 A 9 9 GLU CA C 9 56.942 55.508 1.434 1
1 19 . 7 1 1 A 9 9 GLU CB C 9 30.240 30.880 -0.640 1
1 21 . 7 1 1 A 9 9 GLU N N 9 120.444 117.220 3.224 1
1 22 . 7 1 1 A 10 10 LYS H H 10 8.332 8.349 -0.017 1
1 23 . 7 1 1 A 10 10 LYS HA H 10 4.543 4.970 -0.427 1
1 32 . 7 1 1 A 10 10 LYS C C 10 174.428 175.323 -0.895 1
1 33 . 7 1 1 A 10 10 LYS CA C 10 53.930 53.090 0.840 1
1 34 . 7 1 1 A 10 10 LYS CB C 10 33.487 34.863 -1.376 1
1 38 . 7 1 1 A 10 10 LYS N N 10 121.692 124.665 -2.973 1
1 39 . 7 1 1 A 11 11 PRO HA H 11 4.207 4.343 -0.136 1
1 46 . 7 1 1 A 11 11 PRO C C 11 176.513 175.833 0.680 1
1 47 . 7 1 1 A 11 11 PRO CA C 11 63.793 64.703 -0.910 1
1 48 . 7 1 1 A 11 11 PRO CB C 11 32.413 31.682 0.731 1
1 51 . 7 1 1 A 12 12 TYR H H 12 7.673 7.174 0.499 1
1 52 . 7 1 1 A 12 12 TYR HA H 12 4.713 4.856 -0.143 1
1 59 . 7 1 1 A 12 12 TYR C C 12 174.235 175.100 -0.865 1
1 60 . 7 1 1 A 12 12 TYR CA C 12 57.962 58.218 -0.256 1
1 61 . 7 1 1 A 12 12 TYR CB C 12 39.042 39.872 -0.830 1
1 66 . 7 1 1 A 12 12 TYR N N 12 117.472 118.237 -0.765 1
1 67 . 7 1 1 A 13 13 LYS H H 13 8.748 8.946 -0.198 1
1 68 . 7 1 1 A 13 13 LYS HA H 13 5.148 5.373 -0.225 1
1 77 . 7 1 1 A 13 13 LYS C C 13 174.652 174.902 -0.250 1
1 78 . 7 1 1 A 13 13 LYS CA C 13 54.661 54.667 -0.006 1
1 79 . 7 1 1 A 13 13 LYS CB C 13 36.500 36.405 0.095 1
1 83 . 7 1 1 A 13 13 LYS N N 13 124.877 122.998 1.879 1
1 84 . 7 1 1 A 14 14 CYS H H 14 9.450 9.460 -0.010 1
1 85 . 7 1 1 A 14 14 CYS HA H 14 4.588 4.727 -0.139 1
1 88 . 7 1 1 A 14 14 CYS C C 14 177.307 175.978 1.329 1
1 89 . 7 1 1 A 14 14 CYS CA C 14 59.198 58.562 0.636 1
1 90 . 7 1 1 A 14 14 CYS CB C 14 29.918 28.370 1.548 1
1 91 . 7 1 1 A 14 14 CYS N N 14 128.056 124.870 3.186 1
1 92 . 7 1 1 A 15 15 GLU H H 15 9.541 9.042 0.499 1
1 93 . 7 1 1 A 15 15 GLU HA H 15 4.161 4.171 -0.010 1
1 98 . 7 1 1 A 15 15 GLU C C 15 176.855 178.712 -1.857 1
1 99 . 7 1 1 A 15 15 GLU CA C 15 58.462 59.371 -0.909 1
1 100 . 7 1 1 A 15 15 GLU CB C 15 29.612 29.498 0.114 1
1 102 . 7 1 1 A 15 15 GLU N N 15 131.947 127.961 3.986 1
1 103 . 7 1 1 A 16 16 THR H H 16 8.761 7.751 1.010 1
1 104 . 7 1 1 A 16 16 THR HA H 16 4.016 3.844 0.172 1
1 109 . 7 1 1 A 16 16 THR C C 16 174.867 175.647 -0.780 1
1 110 . 7 1 1 A 16 16 THR CA C 16 66.144 66.254 -0.110 1
1 111 . 7 1 1 A 16 16 THR CB C 16 68.802 68.467 0.335 1
1 113 . 7 1 1 A 16 16 THR N N 16 118.440 117.596 0.844 1
1 114 . 7 1 1 A 17 17 CYS H H 17 8.259 7.350 0.909 1
1 115 . 7 1 1 A 17 17 CYS HA H 17 5.198 4.701 0.497 1
1 118 . 7 1 1 A 17 17 CYS C C 17 176.245 175.781 0.464 1
1 119 . 7 1 1 A 17 17 CYS CA C 17 58.242 59.300 -1.058 1
1 120 . 7 1 1 A 17 17 CYS CB C 17 32.889 30.206 2.683 1
1 121 . 7 1 1 A 17 17 CYS N N 17 118.012 115.455 2.557 1
1 122 . 7 1 1 A 18 18 GLY H H 18 8.142 8.170 -0.028 1
1 123 . 7 1 1 A 18 18 GLY HA2 H 18 3.685 4.069 -0.384 1
1 124 . 7 1 1 A 18 18 GLY HA3 H 18 4.275 4.079 0.196 1
1 125 . 7 1 1 A 18 18 GLY C C 18 173.304 174.785 -1.481 1
1 126 . 7 1 1 A 18 18 GLY CA C 18 46.166 45.232 0.934 1
1 127 . 7 1 1 A 18 18 GLY N N 18 113.635 109.878 3.757 1
1 128 . 7 1 1 A 19 19 ALA H H 19 8.257 7.659 0.598 1
1 129 . 7 1 1 A 19 19 ALA HA H 19 4.006 4.302 -0.296 1
1 133 . 7 1 1 A 19 19 ALA C C 19 175.055 175.935 -0.880 1
1 134 . 7 1 1 A 19 19 ALA CA C 19 53.537 51.908 1.629 1
1 135 . 7 1 1 A 19 19 ALA CB C 19 19.738 20.283 -0.545 1
1 136 . 7 1 1 A 19 19 ALA N N 19 125.690 124.002 1.688 1
1 137 . 7 1 1 A 20 20 ARG H H 20 7.669 7.974 -0.305 1
1 138 . 7 1 1 A 20 20 ARG HA H 20 5.257 5.402 -0.145 1
1 145 . 7 1 1 A 20 20 ARG C C 20 175.609 174.493 1.116 1
1 146 . 7 1 1 A 20 20 ARG CA C 20 54.238 54.267 -0.029 1
1 147 . 7 1 1 A 20 20 ARG CB C 20 34.243 34.602 -0.359 1
1 150 . 7 1 1 A 20 20 ARG N N 20 117.237 116.729 0.508 1
1 151 . 7 1 1 A 21 21 PHE H H 21 8.754 8.996 -0.242 1
1 152 . 7 1 1 A 21 21 PHE HA H 21 4.856 4.971 -0.115 1
1 160 . 7 1 1 A 21 21 PHE C C 21 175.009 175.488 -0.479 1
1 161 . 7 1 1 A 21 21 PHE CA C 21 57.344 56.741 0.603 1
1 162 . 7 1 1 A 21 21 PHE CB C 21 44.452 43.245 1.207 1
1 168 . 7 1 1 A 21 21 PHE N N 21 116.093 119.095 -3.002 1
1 169 . 7 1 1 A 22 22 VAL H H 22 9.432 8.825 0.607 1
1 170 . 7 1 1 A 22 22 VAL HA H 22 4.298 4.141 0.157 1
1 178 . 7 1 1 A 22 22 VAL C C 22 175.477 175.460 0.017 1
1 179 . 7 1 1 A 22 22 VAL CA C 22 64.474 64.119 0.355 1
1 180 . 7 1 1 A 22 22 VAL CB C 22 33.259 32.987 0.272 1
1 183 . 7 1 1 A 22 22 VAL N N 22 119.283 121.624 -2.341 1
1 184 . 7 1 1 A 23 23 GLN H H 23 7.243 7.508 -0.265 1
1 185 . 7 1 1 A 23 23 GLN HA H 23 4.810 4.649 0.161 1
1 192 . 7 1 1 A 23 23 GLN C C 23 176.882 174.943 1.939 1
1 193 . 7 1 1 A 23 23 GLN CA C 23 53.454 53.732 -0.278 1
1 194 . 7 1 1 A 23 23 GLN CB C 23 30.682 30.909 -0.227 1
1 196 . 7 1 1 A 23 23 GLN N N 23 113.909 118.221 -4.312 1
1 198 . 7 1 1 A 24 24 VAL H H 24 8.554 7.712 0.842 1
1 199 . 7 1 1 A 24 24 VAL HA H 24 2.960 3.020 -0.060 1
1 207 . 7 1 1 A 24 24 VAL C C 24 177.337 177.133 0.204 1
1 208 . 7 1 1 A 24 24 VAL CA C 24 65.388 64.464 0.924 1
1 209 . 7 1 1 A 24 24 VAL CB C 24 30.927 31.229 -0.302 1
1 212 . 7 1 1 A 24 24 VAL N N 24 126.915 124.054 2.861 1
1 213 . 7 1 1 A 25 25 ALA H H 25 8.531 8.052 0.479 1
1 214 . 7 1 1 A 25 25 ALA HA H 25 3.933 3.966 -0.033 1
1 218 . 7 1 1 A 25 25 ALA C C 25 180.524 179.495 1.029 1
1 219 . 7 1 1 A 25 25 ALA CA C 25 55.073 54.967 0.106 1
1 220 . 7 1 1 A 25 25 ALA CB C 25 18.311 18.518 -0.207 1
1 221 . 7 1 1 A 25 25 ALA N N 25 122.114 122.542 -0.428 1
1 222 . 7 1 1 A 26 26 HIS H H 26 6.892 7.422 -0.530 1
1 223 . 7 1 1 A 26 26 HIS HA H 26 4.436 4.295 0.141 1
1 228 . 7 1 1 A 26 26 HIS C C 26 178.267 177.374 0.893 1
1 229 . 7 1 1 A 26 26 HIS CA C 26 56.426 59.406 -2.980 1
1 230 . 7 1 1 A 26 26 HIS CB C 26 31.750 30.619 1.131 1
1 233 . 7 1 1 A 26 26 HIS N N 26 115.625 115.057 0.568 1
1 234 . 7 1 1 A 27 27 LEU H H 27 6.854 7.478 -0.624 1
1 235 . 7 1 1 A 27 27 LEU HA H 27 3.189 2.288 0.901 1
1 245 . 7 1 1 A 27 27 LEU C C 27 177.246 178.181 -0.935 1
1 246 . 7 1 1 A 27 27 LEU CA C 27 57.874 57.513 0.361 1
1 247 . 7 1 1 A 27 27 LEU CB C 27 40.685 41.435 -0.750 1
1 251 . 7 1 1 A 27 27 LEU N N 27 122.027 120.404 1.623 1
1 252 . 7 1 1 A 28 28 ARG H H 28 8.252 8.739 -0.487 1
1 253 . 7 1 1 A 28 28 ARG HA H 28 3.867 4.060 -0.193 1
1 260 . 7 1 1 A 28 28 ARG C C 28 178.248 177.444 0.804 1
1 261 . 7 1 1 A 28 28 ARG CA C 28 59.410 57.959 1.451 1
1 262 . 7 1 1 A 28 28 ARG CB C 28 29.762 29.315 0.447 1
1 265 . 7 1 1 A 28 28 ARG N N 28 117.010 117.796 -0.786 1
1 266 . 7 1 1 A 29 29 ALA H H 29 7.223 7.671 -0.448 1
1 267 . 7 1 1 A 29 29 ALA HA H 29 4.146 4.227 -0.081 1
1 271 . 7 1 1 A 29 29 ALA C C 29 179.428 179.147 0.281 1
1 272 . 7 1 1 A 29 29 ALA CA C 29 54.170 53.396 0.774 1
1 273 . 7 1 1 A 29 29 ALA CB C 29 18.345 19.054 -0.709 1
1 274 . 7 1 1 A 29 29 ALA N N 29 118.170 120.829 -2.659 1
1 275 . 7 1 1 A 30 30 HIS H H 30 7.527 8.188 -0.661 1
1 276 . 7 1 1 A 30 30 HIS HA H 30 4.166 4.291 -0.125 1
1 281 . 7 1 1 A 30 30 HIS C C 30 176.978 177.060 -0.082 1
1 282 . 7 1 1 A 30 30 HIS CA C 30 59.490 58.779 0.711 1
1 283 . 7 1 1 A 30 30 HIS CB C 30 28.889 30.281 -1.392 1
1 286 . 7 1 1 A 30 30 HIS N N 30 118.012 118.810 -0.798 1
1 287 . 7 1 1 A 31 31 VAL H H 31 8.251 8.518 -0.267 1
1 288 . 7 1 1 A 31 31 VAL HA H 31 3.659 3.913 -0.254 1
1 296 . 7 1 1 A 31 31 VAL C C 31 177.594 177.803 -0.209 1
1 297 . 7 1 1 A 31 31 VAL CA C 31 65.958 65.584 0.374 1
1 298 . 7 1 1 A 31 31 VAL CB C 31 31.636 31.483 0.153 1
1 301 . 7 1 1 A 31 31 VAL N N 31 112.141 117.249 -5.108 1
1 302 . 7 1 1 A 32 32 LEU H H 32 6.906 7.892 -0.986 1
1 303 . 7 1 1 A 32 32 LEU HA H 32 4.135 4.032 0.103 1
1 313 . 7 1 1 A 32 32 LEU C C 32 179.626 179.267 0.359 1
1 314 . 7 1 1 A 32 32 LEU CA C 32 56.826 57.317 -0.491 1
1 315 . 7 1 1 A 32 32 LEU CB C 32 41.476 41.260 0.216 1
1 319 . 7 1 1 A 32 32 LEU N N 32 119.239 121.663 -2.424 1
1 320 . 7 1 1 A 33 33 ILE H H 33 7.880 7.590 0.290 1
1 321 . 7 1 1 A 33 33 ILE HA H 33 3.971 3.679 0.292 1
1 331 . 7 1 1 A 33 33 ILE C C 33 177.546 177.638 -0.092 1
1 332 . 7 1 1 A 33 33 ILE CA C 33 63.138 64.508 -1.370 1
1 333 . 7 1 1 A 33 33 ILE CB C 33 37.587 37.276 0.311 1
1 337 . 7 1 1 A 33 33 ILE N N 33 116.394 116.169 0.225 1
1 338 . 7 1 1 A 34 34 HIS H H 34 7.360 7.450 -0.090 1
1 339 . 7 1 1 A 34 34 HIS HA H 34 4.882 4.390 0.492 1
1 344 . 7 1 1 A 34 34 HIS C C 34 175.699 176.468 -0.769 1
1 345 . 7 1 1 A 34 34 HIS CA C 34 55.093 58.848 -3.755 1
1 346 . 7 1 1 A 34 34 HIS CB C 34 28.461 30.276 -1.815 1
1 349 . 7 1 1 A 34 34 HIS N N 34 117.627 120.165 -2.538 1
1 350 . 7 1 1 A 35 35 THR H H 35 7.805 7.477 0.328 1
1 351 . 7 1 1 A 35 35 THR HA H 35 4.368 4.029 0.339 1
1 356 . 7 1 1 A 35 35 THR C C 35 175.388 173.958 1.430 1
1 357 . 7 1 1 A 35 35 THR CA C 35 62.548 63.421 -0.873 1
1 358 . 7 1 1 A 35 35 THR CB C 35 69.779 68.990 0.789 1
1 360 . 7 1 1 A 35 35 THR N N 35 112.000 111.616 0.384 1
1 361 . 7 1 1 A 36 36 GLY H H 36 8.335 8.372 -0.037 1
1 362 . 7 1 1 A 36 36 GLY HA2 H 36 4.049 4.208 -0.159 1
1 363 . 7 1 1 A 36 36 GLY HA3 H 36 4.049 4.211 -0.162 1
1 364 . 7 1 1 A 36 36 GLY C C 36 174.188 173.322 0.866 1
1 365 . 7 1 1 A 36 36 GLY CA C 36 45.444 46.172 -0.728 1
1 366 . 7 1 1 A 36 36 GLY N N 36 111.103 113.980 -2.877 1
1 367 . 7 1 1 A 37 37 SER H H 37 8.231 8.512 -0.281 1
1 368 . 7 1 1 A 37 37 SER HA H 37 4.521 4.654 -0.133 1
1 371 . 7 1 1 A 37 37 SER C C 37 174.567 174.016 0.551 1
1 372 . 7 1 1 A 37 37 SER CA C 37 58.242 57.491 0.751 1
1 373 . 7 1 1 A 37 37 SER CB C 37 64.018 63.279 0.739 1
1 374 . 7 1 1 A 37 37 SER N N 37 115.371 120.408 -5.037 1
1 375 . 7 1 1 A 38 38 GLY H H 38 8.310 7.520 0.790 1
1 376 . 7 1 1 A 38 38 GLY HA2 H 38 4.158 4.152 0.006 1
1 377 . 7 1 1 A 38 38 GLY HA3 H 38 4.094 4.153 -0.059 1
1 378 . 7 1 1 A 38 38 GLY C C 38 171.799 173.932 -2.133 1
1 379 . 7 1 1 A 38 38 GLY CA C 38 44.671 45.391 -0.720 1
1 380 . 7 1 1 A 38 38 GLY N N 38 110.735 109.355 1.380 1
1 381 . 7 1 1 A 39 39 PRO HA H 39 4.476 4.475 0.001 1
1 388 . 7 1 1 A 39 39 PRO C C 39 177.307 176.593 0.714 1
1 389 . 7 1 1 A 39 39 PRO CA C 39 63.131 64.925 -1.794 1
1 390 . 7 1 1 A 39 39 PRO CB C 39 32.207 32.133 0.074 1
1 393 . 7 1 1 A 40 40 SER H H 40 8.520 7.888 0.632 1
1 394 . 7 1 1 A 40 40 SER C C 40 174.611 173.283 1.328 1
1 395 . 7 1 1 A 40 40 SER CA C 40 58.516 57.785 0.731 1
1 396 . 7 1 1 A 40 40 SER CB C 40 64.203 65.196 -0.993 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.943 4.048 -0.105 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.943 4.052 -0.109 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.561 174.814 -0.253 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.444 45.349 0.095 1
1 5 . 8 1 1 A 8 8 GLY H H 8 8.198 8.318 -0.120 1
1 6 . 8 1 1 A 8 8 GLY HA2 H 8 3.922 4.014 -0.092 1
1 7 . 8 1 1 A 8 8 GLY HA3 H 8 3.922 4.014 -0.092 1
1 8 . 8 1 1 A 8 8 GLY C C 8 174.018 174.579 -0.561 1
1 9 . 8 1 1 A 8 8 GLY CA C 8 45.107 46.571 -1.464 1
1 10 . 8 1 1 A 8 8 GLY N N 8 108.415 110.241 -1.826 1
1 11 . 8 1 1 A 9 9 GLU H H 9 8.350 7.772 0.578 1
1 12 . 8 1 1 A 9 9 GLU HA H 9 4.173 4.730 -0.557 1
1 17 . 8 1 1 A 9 9 GLU C C 9 176.393 174.167 2.226 1
1 18 . 8 1 1 A 9 9 GLU CA C 9 56.942 55.239 1.703 1
1 19 . 8 1 1 A 9 9 GLU CB C 9 30.240 32.322 -2.082 1
1 21 . 8 1 1 A 9 9 GLU N N 9 120.444 113.081 7.363 1
1 22 . 8 1 1 A 10 10 LYS H H 10 8.332 8.473 -0.141 1
1 23 . 8 1 1 A 10 10 LYS HA H 10 4.543 4.958 -0.415 1
1 32 . 8 1 1 A 10 10 LYS C C 10 174.428 175.319 -0.891 1
1 33 . 8 1 1 A 10 10 LYS CA C 10 53.930 53.049 0.881 1
1 34 . 8 1 1 A 10 10 LYS CB C 10 33.487 34.956 -1.469 1
1 38 . 8 1 1 A 10 10 LYS N N 10 121.692 123.655 -1.963 1
1 39 . 8 1 1 A 11 11 PRO HA H 11 4.207 4.315 -0.108 1
1 46 . 8 1 1 A 11 11 PRO C C 11 176.513 175.845 0.668 1
1 47 . 8 1 1 A 11 11 PRO CA C 11 63.793 64.778 -0.985 1
1 48 . 8 1 1 A 11 11 PRO CB C 11 32.413 31.713 0.700 1
1 51 . 8 1 1 A 12 12 TYR H H 12 7.673 7.173 0.500 1
1 52 . 8 1 1 A 12 12 TYR HA H 12 4.713 4.777 -0.064 1
1 59 . 8 1 1 A 12 12 TYR C C 12 174.235 175.273 -1.038 1
1 60 . 8 1 1 A 12 12 TYR CA C 12 57.962 58.230 -0.268 1
1 61 . 8 1 1 A 12 12 TYR CB C 12 39.042 39.825 -0.783 1
1 66 . 8 1 1 A 12 12 TYR N N 12 117.472 118.244 -0.772 1
1 67 . 8 1 1 A 13 13 LYS H H 13 8.748 8.960 -0.212 1
1 68 . 8 1 1 A 13 13 LYS HA H 13 5.148 5.405 -0.257 1
1 77 . 8 1 1 A 13 13 LYS C C 13 174.652 174.825 -0.173 1
1 78 . 8 1 1 A 13 13 LYS CA C 13 54.661 54.590 0.071 1
1 79 . 8 1 1 A 13 13 LYS CB C 13 36.500 36.404 0.096 1
1 83 . 8 1 1 A 13 13 LYS N N 13 124.877 123.164 1.713 1
1 84 . 8 1 1 A 14 14 CYS H H 14 9.450 9.383 0.067 1
1 85 . 8 1 1 A 14 14 CYS HA H 14 4.588 4.740 -0.152 1
1 88 . 8 1 1 A 14 14 CYS C C 14 177.307 176.039 1.268 1
1 89 . 8 1 1 A 14 14 CYS CA C 14 59.198 58.403 0.795 1
1 90 . 8 1 1 A 14 14 CYS CB C 14 29.918 28.582 1.336 1
1 91 . 8 1 1 A 14 14 CYS N N 14 128.056 124.757 3.299 1
1 92 . 8 1 1 A 15 15 GLU H H 15 9.541 9.075 0.466 1
1 93 . 8 1 1 A 15 15 GLU HA H 15 4.161 4.169 -0.008 1
1 98 . 8 1 1 A 15 15 GLU C C 15 176.855 178.671 -1.816 1
1 99 . 8 1 1 A 15 15 GLU CA C 15 58.462 59.374 -0.912 1
1 100 . 8 1 1 A 15 15 GLU CB C 15 29.612 29.569 0.043 1
1 102 . 8 1 1 A 15 15 GLU N N 15 131.947 128.036 3.911 1
1 103 . 8 1 1 A 16 16 THR H H 16 8.761 7.796 0.965 1
1 104 . 8 1 1 A 16 16 THR HA H 16 4.016 3.845 0.171 1
1 109 . 8 1 1 A 16 16 THR C C 16 174.867 175.687 -0.820 1
1 110 . 8 1 1 A 16 16 THR CA C 16 66.144 66.266 -0.122 1
1 111 . 8 1 1 A 16 16 THR CB C 16 68.802 68.415 0.387 1
1 113 . 8 1 1 A 16 16 THR N N 16 118.440 117.377 1.063 1
1 114 . 8 1 1 A 17 17 CYS H H 17 8.259 7.303 0.956 1
1 115 . 8 1 1 A 17 17 CYS HA H 17 5.198 4.698 0.500 1
1 118 . 8 1 1 A 17 17 CYS C C 17 176.245 175.725 0.520 1
1 119 . 8 1 1 A 17 17 CYS CA C 17 58.242 59.289 -1.047 1
1 120 . 8 1 1 A 17 17 CYS CB C 17 32.889 30.168 2.721 1
1 121 . 8 1 1 A 17 17 CYS N N 17 118.012 115.669 2.343 1
1 122 . 8 1 1 A 18 18 GLY H H 18 8.142 8.157 -0.015 1
1 123 . 8 1 1 A 18 18 GLY HA2 H 18 3.685 4.068 -0.383 1
1 124 . 8 1 1 A 18 18 GLY HA3 H 18 4.275 4.078 0.197 1
1 125 . 8 1 1 A 18 18 GLY C C 18 173.304 174.782 -1.478 1
1 126 . 8 1 1 A 18 18 GLY CA C 18 46.166 45.230 0.936 1
1 127 . 8 1 1 A 18 18 GLY N N 18 113.635 109.874 3.761 1
1 128 . 8 1 1 A 19 19 ALA H H 19 8.257 7.636 0.621 1
1 129 . 8 1 1 A 19 19 ALA HA H 19 4.006 4.302 -0.296 1
1 133 . 8 1 1 A 19 19 ALA C C 19 175.055 175.867 -0.812 1
1 134 . 8 1 1 A 19 19 ALA CA C 19 53.537 51.859 1.678 1
1 135 . 8 1 1 A 19 19 ALA CB C 19 19.738 20.304 -0.566 1
1 136 . 8 1 1 A 19 19 ALA N N 19 125.690 123.999 1.691 1
1 137 . 8 1 1 A 20 20 ARG H H 20 7.669 7.980 -0.311 1
1 138 . 8 1 1 A 20 20 ARG HA H 20 5.257 5.416 -0.159 1
1 145 . 8 1 1 A 20 20 ARG C C 20 175.609 174.511 1.098 1
1 146 . 8 1 1 A 20 20 ARG CA C 20 54.238 54.274 -0.036 1
1 147 . 8 1 1 A 20 20 ARG CB C 20 34.243 34.669 -0.426 1
1 150 . 8 1 1 A 20 20 ARG N N 20 117.237 116.844 0.393 1
1 151 . 8 1 1 A 21 21 PHE H H 21 8.754 9.027 -0.273 1
1 152 . 8 1 1 A 21 21 PHE HA H 21 4.856 4.973 -0.117 1
1 160 . 8 1 1 A 21 21 PHE C C 21 175.009 175.490 -0.481 1
1 161 . 8 1 1 A 21 21 PHE CA C 21 57.344 56.742 0.602 1
1 162 . 8 1 1 A 21 21 PHE CB C 21 44.452 43.245 1.207 1
1 168 . 8 1 1 A 21 21 PHE N N 21 116.093 119.096 -3.003 1
1 169 . 8 1 1 A 22 22 VAL H H 22 9.432 8.827 0.605 1
1 170 . 8 1 1 A 22 22 VAL HA H 22 4.298 4.114 0.184 1
1 178 . 8 1 1 A 22 22 VAL C C 22 175.477 175.327 0.150 1
1 179 . 8 1 1 A 22 22 VAL CA C 22 64.474 64.123 0.351 1
1 180 . 8 1 1 A 22 22 VAL CB C 22 33.259 32.874 0.385 1
1 183 . 8 1 1 A 22 22 VAL N N 22 119.283 121.630 -2.347 1
1 184 . 8 1 1 A 23 23 GLN H H 23 7.243 7.516 -0.273 1
1 185 . 8 1 1 A 23 23 GLN HA H 23 4.810 4.672 0.138 1
1 192 . 8 1 1 A 23 23 GLN C C 23 176.882 174.986 1.896 1
1 193 . 8 1 1 A 23 23 GLN CA C 23 53.454 53.682 -0.228 1
1 194 . 8 1 1 A 23 23 GLN CB C 23 30.682 30.969 -0.287 1
1 196 . 8 1 1 A 23 23 GLN N N 23 113.909 118.028 -4.119 1
1 198 . 8 1 1 A 24 24 VAL H H 24 8.554 7.722 0.832 1
1 199 . 8 1 1 A 24 24 VAL HA H 24 2.960 3.009 -0.049 1
1 207 . 8 1 1 A 24 24 VAL C C 24 177.337 177.125 0.212 1
1 208 . 8 1 1 A 24 24 VAL CA C 24 65.388 64.460 0.928 1
1 209 . 8 1 1 A 24 24 VAL CB C 24 30.927 31.193 -0.266 1
1 212 . 8 1 1 A 24 24 VAL N N 24 126.915 123.959 2.956 1
1 213 . 8 1 1 A 25 25 ALA H H 25 8.531 7.997 0.534 1
1 214 . 8 1 1 A 25 25 ALA HA H 25 3.933 3.948 -0.015 1
1 218 . 8 1 1 A 25 25 ALA C C 25 180.524 179.489 1.035 1
1 219 . 8 1 1 A 25 25 ALA CA C 25 55.073 54.937 0.136 1
1 220 . 8 1 1 A 25 25 ALA CB C 25 18.311 18.508 -0.197 1
1 221 . 8 1 1 A 25 25 ALA N N 25 122.114 122.578 -0.464 1
1 222 . 8 1 1 A 26 26 HIS H H 26 6.892 7.398 -0.506 1
1 223 . 8 1 1 A 26 26 HIS HA H 26 4.436 4.329 0.107 1
1 228 . 8 1 1 A 26 26 HIS C C 26 178.267 177.370 0.897 1
1 229 . 8 1 1 A 26 26 HIS CA C 26 56.426 59.329 -2.903 1
1 230 . 8 1 1 A 26 26 HIS CB C 26 31.750 30.641 1.109 1
1 233 . 8 1 1 A 26 26 HIS N N 26 115.625 115.050 0.575 1
1 234 . 8 1 1 A 27 27 LEU H H 27 6.854 7.470 -0.616 1
1 235 . 8 1 1 A 27 27 LEU HA H 27 3.189 2.292 0.897 1
1 245 . 8 1 1 A 27 27 LEU C C 27 177.246 178.187 -0.941 1
1 246 . 8 1 1 A 27 27 LEU CA C 27 57.874 57.480 0.394 1
1 247 . 8 1 1 A 27 27 LEU CB C 27 40.685 41.547 -0.862 1
1 251 . 8 1 1 A 27 27 LEU N N 27 122.027 120.494 1.533 1
1 252 . 8 1 1 A 28 28 ARG H H 28 8.252 8.734 -0.482 1
1 253 . 8 1 1 A 28 28 ARG HA H 28 3.867 4.075 -0.208 1
1 260 . 8 1 1 A 28 28 ARG C C 28 178.248 177.441 0.807 1
1 261 . 8 1 1 A 28 28 ARG CA C 28 59.410 57.938 1.472 1
1 262 . 8 1 1 A 28 28 ARG CB C 28 29.762 29.252 0.510 1
1 265 . 8 1 1 A 28 28 ARG N N 28 117.010 117.805 -0.795 1
1 266 . 8 1 1 A 29 29 ALA H H 29 7.223 7.652 -0.429 1
1 267 . 8 1 1 A 29 29 ALA HA H 29 4.146 4.191 -0.045 1
1 271 . 8 1 1 A 29 29 ALA C C 29 179.428 178.992 0.436 1
1 272 . 8 1 1 A 29 29 ALA CA C 29 54.170 53.386 0.784 1
1 273 . 8 1 1 A 29 29 ALA CB C 29 18.345 19.080 -0.735 1
1 274 . 8 1 1 A 29 29 ALA N N 29 118.170 120.917 -2.747 1
1 275 . 8 1 1 A 30 30 HIS H H 30 7.527 8.166 -0.639 1
1 276 . 8 1 1 A 30 30 HIS HA H 30 4.166 4.290 -0.124 1
1 281 . 8 1 1 A 30 30 HIS C C 30 176.978 177.058 -0.080 1
1 282 . 8 1 1 A 30 30 HIS CA C 30 59.490 58.988 0.502 1
1 283 . 8 1 1 A 30 30 HIS CB C 30 28.889 30.403 -1.514 1
1 286 . 8 1 1 A 30 30 HIS N N 30 118.012 118.813 -0.801 1
1 287 . 8 1 1 A 31 31 VAL H H 31 8.251 8.496 -0.245 1
1 288 . 8 1 1 A 31 31 VAL HA H 31 3.659 3.912 -0.253 1
1 296 . 8 1 1 A 31 31 VAL C C 31 177.594 177.850 -0.256 1
1 297 . 8 1 1 A 31 31 VAL CA C 31 65.958 65.594 0.364 1
1 298 . 8 1 1 A 31 31 VAL CB C 31 31.636 31.477 0.159 1
1 301 . 8 1 1 A 31 31 VAL N N 31 112.141 117.248 -5.107 1
1 302 . 8 1 1 A 32 32 LEU H H 32 6.906 7.916 -1.010 1
1 303 . 8 1 1 A 32 32 LEU HA H 32 4.135 4.019 0.116 1
1 313 . 8 1 1 A 32 32 LEU C C 32 179.626 179.210 0.416 1
1 314 . 8 1 1 A 32 32 LEU CA C 32 56.826 57.336 -0.510 1
1 315 . 8 1 1 A 32 32 LEU CB C 32 41.476 41.332 0.144 1
1 319 . 8 1 1 A 32 32 LEU N N 32 119.239 121.637 -2.398 1
1 320 . 8 1 1 A 33 33 ILE H H 33 7.880 7.596 0.284 1
1 321 . 8 1 1 A 33 33 ILE HA H 33 3.971 3.676 0.295 1
1 331 . 8 1 1 A 33 33 ILE C C 33 177.546 177.647 -0.101 1
1 332 . 8 1 1 A 33 33 ILE CA C 33 63.138 64.506 -1.368 1
1 333 . 8 1 1 A 33 33 ILE CB C 33 37.587 37.247 0.340 1
1 337 . 8 1 1 A 33 33 ILE N N 33 116.394 116.161 0.233 1
1 338 . 8 1 1 A 34 34 HIS H H 34 7.360 7.440 -0.080 1
1 339 . 8 1 1 A 34 34 HIS HA H 34 4.882 4.386 0.496 1
1 344 . 8 1 1 A 34 34 HIS C C 34 175.699 176.411 -0.712 1
1 345 . 8 1 1 A 34 34 HIS CA C 34 55.093 58.932 -3.839 1
1 346 . 8 1 1 A 34 34 HIS CB C 34 28.461 30.251 -1.790 1
1 349 . 8 1 1 A 34 34 HIS N N 34 117.627 120.161 -2.534 1
1 350 . 8 1 1 A 35 35 THR H H 35 7.805 7.615 0.190 1
1 351 . 8 1 1 A 35 35 THR HA H 35 4.368 3.947 0.421 1
1 356 . 8 1 1 A 35 35 THR C C 35 175.388 175.426 -0.038 1
1 357 . 8 1 1 A 35 35 THR CA C 35 62.548 63.722 -1.174 1
1 358 . 8 1 1 A 35 35 THR CB C 35 69.779 68.955 0.824 1
1 360 . 8 1 1 A 35 35 THR N N 35 112.000 112.485 -0.485 1
1 361 . 8 1 1 A 36 36 GLY H H 36 8.335 8.596 -0.261 1
1 362 . 8 1 1 A 36 36 GLY HA2 H 36 4.049 4.146 -0.097 1
1 363 . 8 1 1 A 36 36 GLY HA3 H 36 4.049 4.152 -0.103 1
1 364 . 8 1 1 A 36 36 GLY C C 36 174.188 173.784 0.404 1
1 365 . 8 1 1 A 36 36 GLY CA C 36 45.444 45.510 -0.066 1
1 366 . 8 1 1 A 36 36 GLY N N 36 111.103 115.747 -4.644 1
1 367 . 8 1 1 A 37 37 SER H H 37 8.231 7.785 0.446 1
1 368 . 8 1 1 A 37 37 SER HA H 37 4.521 5.031 -0.510 1
1 371 . 8 1 1 A 37 37 SER C C 37 174.567 175.008 -0.441 1
1 372 . 8 1 1 A 37 37 SER CA C 37 58.242 57.660 0.582 1
1 373 . 8 1 1 A 37 37 SER CB C 37 64.018 66.833 -2.815 1
1 374 . 8 1 1 A 37 37 SER N N 37 115.371 114.988 0.383 1
1 375 . 8 1 1 A 38 38 GLY H H 38 8.310 8.736 -0.426 1
1 376 . 8 1 1 A 38 38 GLY HA2 H 38 4.158 3.891 0.267 1
1 377 . 8 1 1 A 38 38 GLY HA3 H 38 4.094 3.891 0.203 1
1 378 . 8 1 1 A 38 38 GLY C C 38 171.799 174.458 -2.659 1
1 379 . 8 1 1 A 38 38 GLY CA C 38 44.671 47.691 -3.020 1
1 380 . 8 1 1 A 38 38 GLY N N 38 110.735 110.712 0.023 1
1 381 . 8 1 1 A 39 39 PRO HA H 39 4.476 4.277 0.199 1
1 388 . 8 1 1 A 39 39 PRO C C 39 177.307 177.144 0.163 1
1 389 . 8 1 1 A 39 39 PRO CA C 39 63.131 62.557 0.574 1
1 390 . 8 1 1 A 39 39 PRO CB C 39 32.207 32.557 -0.350 1
1 393 . 8 1 1 A 40 40 SER H H 40 8.520 8.950 -0.430 1
1 394 . 8 1 1 A 40 40 SER C C 40 174.611 175.345 -0.734 1
1 395 . 8 1 1 A 40 40 SER CA C 40 58.516 58.942 -0.426 1
1 396 . 8 1 1 A 40 40 SER CB C 40 64.203 61.632 2.571 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.943 3.980 -0.037 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.943 3.984 -0.041 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.561 173.836 0.725 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.444 45.882 -0.438 1
1 5 . 9 1 1 A 8 8 GLY H H 8 8.198 8.470 -0.272 1
1 6 . 9 1 1 A 8 8 GLY HA2 H 8 3.922 4.387 -0.465 1
1 7 . 9 1 1 A 8 8 GLY HA3 H 8 3.922 4.391 -0.469 1
1 8 . 9 1 1 A 8 8 GLY C C 8 174.018 172.639 1.379 1
1 9 . 9 1 1 A 8 8 GLY CA C 8 45.107 46.034 -0.927 1
1 10 . 9 1 1 A 8 8 GLY N N 8 108.415 110.764 -2.349 1
1 11 . 9 1 1 A 9 9 GLU H H 9 8.350 8.693 -0.343 1
1 12 . 9 1 1 A 9 9 GLU HA H 9 4.173 5.215 -1.042 1
1 17 . 9 1 1 A 9 9 GLU C C 9 176.393 175.119 1.274 1
1 18 . 9 1 1 A 9 9 GLU CA C 9 56.942 55.180 1.762 1
1 19 . 9 1 1 A 9 9 GLU CB C 9 30.240 31.429 -1.189 1
1 21 . 9 1 1 A 9 9 GLU N N 9 120.444 118.088 2.356 1
1 22 . 9 1 1 A 10 10 LYS H H 10 8.332 8.322 0.010 1
1 23 . 9 1 1 A 10 10 LYS HA H 10 4.543 4.952 -0.409 1
1 32 . 9 1 1 A 10 10 LYS C C 10 174.428 175.320 -0.892 1
1 33 . 9 1 1 A 10 10 LYS CA C 10 53.930 53.151 0.779 1
1 34 . 9 1 1 A 10 10 LYS CB C 10 33.487 34.833 -1.346 1
1 38 . 9 1 1 A 10 10 LYS N N 10 121.692 123.698 -2.006 1
1 39 . 9 1 1 A 11 11 PRO HA H 11 4.207 4.345 -0.138 1
1 46 . 9 1 1 A 11 11 PRO C C 11 176.513 175.828 0.685 1
1 47 . 9 1 1 A 11 11 PRO CA C 11 63.793 64.675 -0.882 1
1 48 . 9 1 1 A 11 11 PRO CB C 11 32.413 31.775 0.638 1
1 51 . 9 1 1 A 12 12 TYR H H 12 7.673 7.192 0.481 1
1 52 . 9 1 1 A 12 12 TYR HA H 12 4.713 4.887 -0.174 1
1 59 . 9 1 1 A 12 12 TYR C C 12 174.235 175.026 -0.791 1
1 60 . 9 1 1 A 12 12 TYR CA C 12 57.962 58.152 -0.190 1
1 61 . 9 1 1 A 12 12 TYR CB C 12 39.042 39.976 -0.934 1
1 66 . 9 1 1 A 12 12 TYR N N 12 117.472 118.269 -0.797 1
1 67 . 9 1 1 A 13 13 LYS H H 13 8.748 8.972 -0.224 1
1 68 . 9 1 1 A 13 13 LYS HA H 13 5.148 5.372 -0.224 1
1 77 . 9 1 1 A 13 13 LYS C C 13 174.652 174.818 -0.166 1
1 78 . 9 1 1 A 13 13 LYS CA C 13 54.661 54.602 0.059 1
1 79 . 9 1 1 A 13 13 LYS CB C 13 36.500 36.390 0.110 1
1 83 . 9 1 1 A 13 13 LYS N N 13 124.877 123.027 1.850 1
1 84 . 9 1 1 A 14 14 CYS H H 14 9.450 9.406 0.044 1
1 85 . 9 1 1 A 14 14 CYS HA H 14 4.588 4.726 -0.138 1
1 88 . 9 1 1 A 14 14 CYS C C 14 177.307 176.041 1.266 1
1 89 . 9 1 1 A 14 14 CYS CA C 14 59.198 58.412 0.786 1
1 90 . 9 1 1 A 14 14 CYS CB C 14 29.918 28.547 1.371 1
1 91 . 9 1 1 A 14 14 CYS N N 14 128.056 124.751 3.305 1
1 92 . 9 1 1 A 15 15 GLU H H 15 9.541 9.040 0.501 1
1 93 . 9 1 1 A 15 15 GLU HA H 15 4.161 4.168 -0.007 1
1 98 . 9 1 1 A 15 15 GLU C C 15 176.855 178.708 -1.853 1
1 99 . 9 1 1 A 15 15 GLU CA C 15 58.462 59.369 -0.907 1
1 100 . 9 1 1 A 15 15 GLU CB C 15 29.612 29.505 0.107 1
1 102 . 9 1 1 A 15 15 GLU N N 15 131.947 128.029 3.918 1
1 103 . 9 1 1 A 16 16 THR H H 16 8.761 7.747 1.014 1
1 104 . 9 1 1 A 16 16 THR HA H 16 4.016 3.847 0.169 1
1 109 . 9 1 1 A 16 16 THR C C 16 174.867 175.639 -0.772 1
1 110 . 9 1 1 A 16 16 THR CA C 16 66.144 66.250 -0.106 1
1 111 . 9 1 1 A 16 16 THR CB C 16 68.802 68.470 0.332 1
1 113 . 9 1 1 A 16 16 THR N N 16 118.440 117.522 0.918 1
1 114 . 9 1 1 A 17 17 CYS H H 17 8.259 7.259 1.000 1
1 115 . 9 1 1 A 17 17 CYS HA H 17 5.198 4.692 0.506 1
1 118 . 9 1 1 A 17 17 CYS C C 17 176.245 175.774 0.471 1
1 119 . 9 1 1 A 17 17 CYS CA C 17 58.242 59.282 -1.040 1
1 120 . 9 1 1 A 17 17 CYS CB C 17 32.889 30.173 2.716 1
1 121 . 9 1 1 A 17 17 CYS N N 17 118.012 115.438 2.574 1
1 122 . 9 1 1 A 18 18 GLY H H 18 8.142 8.124 0.018 1
1 123 . 9 1 1 A 18 18 GLY HA2 H 18 3.685 4.066 -0.381 1
1 124 . 9 1 1 A 18 18 GLY HA3 H 18 4.275 4.076 0.199 1
1 125 . 9 1 1 A 18 18 GLY C C 18 173.304 174.782 -1.478 1
1 126 . 9 1 1 A 18 18 GLY CA C 18 46.166 45.226 0.940 1
1 127 . 9 1 1 A 18 18 GLY N N 18 113.635 109.866 3.769 1
1 128 . 9 1 1 A 19 19 ALA H H 19 8.257 7.633 0.624 1
1 129 . 9 1 1 A 19 19 ALA HA H 19 4.006 4.299 -0.293 1
1 133 . 9 1 1 A 19 19 ALA C C 19 175.055 175.866 -0.811 1
1 134 . 9 1 1 A 19 19 ALA CA C 19 53.537 51.901 1.636 1
1 135 . 9 1 1 A 19 19 ALA CB C 19 19.738 20.301 -0.563 1
1 136 . 9 1 1 A 19 19 ALA N N 19 125.690 123.996 1.694 1
1 137 . 9 1 1 A 20 20 ARG H H 20 7.669 7.975 -0.306 1
1 138 . 9 1 1 A 20 20 ARG HA H 20 5.257 5.406 -0.149 1
1 145 . 9 1 1 A 20 20 ARG C C 20 175.609 174.503 1.106 1
1 146 . 9 1 1 A 20 20 ARG CA C 20 54.238 54.270 -0.032 1
1 147 . 9 1 1 A 20 20 ARG CB C 20 34.243 34.665 -0.422 1
1 150 . 9 1 1 A 20 20 ARG N N 20 117.237 116.839 0.398 1
1 151 . 9 1 1 A 21 21 PHE H H 21 8.754 9.008 -0.254 1
1 152 . 9 1 1 A 21 21 PHE HA H 21 4.856 4.971 -0.115 1
1 160 . 9 1 1 A 21 21 PHE C C 21 175.009 175.487 -0.478 1
1 161 . 9 1 1 A 21 21 PHE CA C 21 57.344 56.740 0.604 1
1 162 . 9 1 1 A 21 21 PHE CB C 21 44.452 43.242 1.210 1
1 168 . 9 1 1 A 21 21 PHE N N 21 116.093 119.095 -3.002 1
1 169 . 9 1 1 A 22 22 VAL H H 22 9.432 8.817 0.615 1
1 170 . 9 1 1 A 22 22 VAL HA H 22 4.298 4.112 0.186 1
1 178 . 9 1 1 A 22 22 VAL C C 22 175.477 175.495 -0.018 1
1 179 . 9 1 1 A 22 22 VAL CA C 22 64.474 64.118 0.356 1
1 180 . 9 1 1 A 22 22 VAL CB C 22 33.259 32.864 0.395 1
1 183 . 9 1 1 A 22 22 VAL N N 22 119.283 121.625 -2.342 1
1 184 . 9 1 1 A 23 23 GLN H H 23 7.243 7.522 -0.279 1
1 185 . 9 1 1 A 23 23 GLN HA H 23 4.810 4.671 0.139 1
1 192 . 9 1 1 A 23 23 GLN C C 23 176.882 175.027 1.855 1
1 193 . 9 1 1 A 23 23 GLN CA C 23 53.454 53.720 -0.266 1
1 194 . 9 1 1 A 23 23 GLN CB C 23 30.682 30.994 -0.312 1
1 196 . 9 1 1 A 23 23 GLN N N 23 113.909 118.047 -4.138 1
1 198 . 9 1 1 A 24 24 VAL H H 24 8.554 7.684 0.870 1
1 199 . 9 1 1 A 24 24 VAL HA H 24 2.960 3.001 -0.041 1
1 207 . 9 1 1 A 24 24 VAL C C 24 177.337 177.058 0.279 1
1 208 . 9 1 1 A 24 24 VAL CA C 24 65.388 64.393 0.995 1
1 209 . 9 1 1 A 24 24 VAL CB C 24 30.927 31.163 -0.236 1
1 212 . 9 1 1 A 24 24 VAL N N 24 126.915 124.288 2.627 1
1 213 . 9 1 1 A 25 25 ALA H H 25 8.531 7.990 0.541 1
1 214 . 9 1 1 A 25 25 ALA HA H 25 3.933 3.952 -0.019 1
1 218 . 9 1 1 A 25 25 ALA C C 25 180.524 179.416 1.108 1
1 219 . 9 1 1 A 25 25 ALA CA C 25 55.073 54.896 0.177 1
1 220 . 9 1 1 A 25 25 ALA CB C 25 18.311 18.514 -0.203 1
1 221 . 9 1 1 A 25 25 ALA N N 25 122.114 122.725 -0.611 1
1 222 . 9 1 1 A 26 26 HIS H H 26 6.892 7.411 -0.519 1
1 223 . 9 1 1 A 26 26 HIS HA H 26 4.436 4.349 0.087 1
1 228 . 9 1 1 A 26 26 HIS C C 26 178.267 177.399 0.868 1
1 229 . 9 1 1 A 26 26 HIS CA C 26 56.426 59.369 -2.943 1
1 230 . 9 1 1 A 26 26 HIS CB C 26 31.750 30.776 0.974 1
1 233 . 9 1 1 A 26 26 HIS N N 26 115.625 115.535 0.090 1
1 234 . 9 1 1 A 27 27 LEU H H 27 6.854 7.548 -0.694 1
1 235 . 9 1 1 A 27 27 LEU HA H 27 3.189 2.262 0.927 1
1 245 . 9 1 1 A 27 27 LEU C C 27 177.246 178.166 -0.920 1
1 246 . 9 1 1 A 27 27 LEU CA C 27 57.874 57.455 0.419 1
1 247 . 9 1 1 A 27 27 LEU CB C 27 40.685 41.435 -0.750 1
1 251 . 9 1 1 A 27 27 LEU N N 27 122.027 120.383 1.644 1
1 252 . 9 1 1 A 28 28 ARG H H 28 8.252 8.739 -0.487 1
1 253 . 9 1 1 A 28 28 ARG HA H 28 3.867 4.033 -0.166 1
1 260 . 9 1 1 A 28 28 ARG C C 28 178.248 177.407 0.841 1
1 261 . 9 1 1 A 28 28 ARG CA C 28 59.410 58.137 1.273 1
1 262 . 9 1 1 A 28 28 ARG CB C 28 29.762 29.347 0.415 1
1 265 . 9 1 1 A 28 28 ARG N N 28 117.010 117.774 -0.764 1
1 266 . 9 1 1 A 29 29 ALA H H 29 7.223 7.767 -0.544 1
1 267 . 9 1 1 A 29 29 ALA HA H 29 4.146 4.196 -0.050 1
1 271 . 9 1 1 A 29 29 ALA C C 29 179.428 179.124 0.304 1
1 272 . 9 1 1 A 29 29 ALA CA C 29 54.170 53.651 0.519 1
1 273 . 9 1 1 A 29 29 ALA CB C 29 18.345 18.941 -0.596 1
1 274 . 9 1 1 A 29 29 ALA N N 29 118.170 120.970 -2.800 1
1 275 . 9 1 1 A 30 30 HIS H H 30 7.527 8.146 -0.619 1
1 276 . 9 1 1 A 30 30 HIS HA H 30 4.166 4.293 -0.127 1
1 281 . 9 1 1 A 30 30 HIS C C 30 176.978 177.064 -0.086 1
1 282 . 9 1 1 A 30 30 HIS CA C 30 59.490 58.792 0.698 1
1 283 . 9 1 1 A 30 30 HIS CB C 30 28.889 30.274 -1.385 1
1 286 . 9 1 1 A 30 30 HIS N N 30 118.012 118.806 -0.794 1
1 287 . 9 1 1 A 31 31 VAL H H 31 8.251 8.491 -0.240 1
1 288 . 9 1 1 A 31 31 VAL HA H 31 3.659 3.924 -0.265 1
1 296 . 9 1 1 A 31 31 VAL C C 31 177.594 177.772 -0.178 1
1 297 . 9 1 1 A 31 31 VAL CA C 31 65.958 65.571 0.387 1
1 298 . 9 1 1 A 31 31 VAL CB C 31 31.636 31.485 0.151 1
1 301 . 9 1 1 A 31 31 VAL N N 31 112.141 117.254 -5.113 1
1 302 . 9 1 1 A 32 32 LEU H H 32 6.906 7.877 -0.971 1
1 303 . 9 1 1 A 32 32 LEU HA H 32 4.135 4.057 0.078 1
1 313 . 9 1 1 A 32 32 LEU C C 32 179.626 179.351 0.275 1
1 314 . 9 1 1 A 32 32 LEU CA C 32 56.826 57.232 -0.406 1
1 315 . 9 1 1 A 32 32 LEU CB C 32 41.476 41.266 0.210 1
1 319 . 9 1 1 A 32 32 LEU N N 32 119.239 121.720 -2.481 1
1 320 . 9 1 1 A 33 33 ILE H H 33 7.880 7.670 0.210 1
1 321 . 9 1 1 A 33 33 ILE HA H 33 3.971 3.650 0.321 1
1 331 . 9 1 1 A 33 33 ILE C C 33 177.546 177.773 -0.227 1
1 332 . 9 1 1 A 33 33 ILE CA C 33 63.138 64.534 -1.396 1
1 333 . 9 1 1 A 33 33 ILE CB C 33 37.587 37.275 0.312 1
1 337 . 9 1 1 A 33 33 ILE N N 33 116.394 116.071 0.323 1
1 338 . 9 1 1 A 34 34 HIS H H 34 7.360 7.348 0.012 1
1 339 . 9 1 1 A 34 34 HIS HA H 34 4.882 4.403 0.479 1
1 344 . 9 1 1 A 34 34 HIS C C 34 175.699 177.835 -2.136 1
1 345 . 9 1 1 A 34 34 HIS CA C 34 55.093 59.092 -3.999 1
1 346 . 9 1 1 A 34 34 HIS CB C 34 28.461 29.776 -1.315 1
1 349 . 9 1 1 A 34 34 HIS N N 34 117.627 121.094 -3.467 1
1 350 . 9 1 1 A 35 35 THR H H 35 7.805 7.921 -0.116 1
1 351 . 9 1 1 A 35 35 THR HA H 35 4.368 3.982 0.386 1
1 356 . 9 1 1 A 35 35 THR C C 35 175.388 175.595 -0.207 1
1 357 . 9 1 1 A 35 35 THR CA C 35 62.548 65.659 -3.111 1
1 358 . 9 1 1 A 35 35 THR CB C 35 69.779 68.834 0.945 1
1 360 . 9 1 1 A 35 35 THR N N 35 112.000 113.234 -1.234 1
1 361 . 9 1 1 A 36 36 GLY H H 36 8.335 7.915 0.420 1
1 362 . 9 1 1 A 36 36 GLY HA2 H 36 4.049 4.040 0.009 1
1 363 . 9 1 1 A 36 36 GLY HA3 H 36 4.049 4.054 -0.005 1
1 364 . 9 1 1 A 36 36 GLY C C 36 174.188 174.291 -0.103 1
1 365 . 9 1 1 A 36 36 GLY CA C 36 45.444 44.318 1.126 1
1 366 . 9 1 1 A 36 36 GLY N N 36 111.103 108.998 2.105 1
1 367 . 9 1 1 A 37 37 SER H H 37 8.231 8.746 -0.515 1
1 368 . 9 1 1 A 37 37 SER HA H 37 4.521 4.056 0.465 1
1 371 . 9 1 1 A 37 37 SER C C 37 174.567 173.522 1.045 1
1 372 . 9 1 1 A 37 37 SER CA C 37 58.242 59.195 -0.953 1
1 373 . 9 1 1 A 37 37 SER CB C 37 64.018 61.928 2.090 1
1 374 . 9 1 1 A 37 37 SER N N 37 115.371 113.773 1.598 1
1 375 . 9 1 1 A 38 38 GLY H H 38 8.310 8.099 0.211 1
1 376 . 9 1 1 A 38 38 GLY HA2 H 38 4.158 4.029 0.129 1
1 377 . 9 1 1 A 38 38 GLY HA3 H 38 4.094 4.030 0.064 1
1 378 . 9 1 1 A 38 38 GLY C C 38 171.799 172.149 -0.350 1
1 379 . 9 1 1 A 38 38 GLY CA C 38 44.671 44.910 -0.239 1
1 380 . 9 1 1 A 38 38 GLY N N 38 110.735 107.670 3.065 1
1 381 . 9 1 1 A 39 39 PRO HA H 39 4.476 4.712 -0.236 1
1 388 . 9 1 1 A 39 39 PRO C C 39 177.307 175.543 1.764 1
1 389 . 9 1 1 A 39 39 PRO CA C 39 63.131 62.685 0.446 1
1 390 . 9 1 1 A 39 39 PRO CB C 39 32.207 32.598 -0.391 1
1 393 . 9 1 1 A 40 40 SER H H 40 8.520 8.740 -0.220 1
1 394 . 9 1 1 A 40 40 SER C C 40 174.611 174.889 -0.278 1
1 395 . 9 1 1 A 40 40 SER CA C 40 58.516 57.484 1.032 1
1 396 . 9 1 1 A 40 40 SER CB C 40 64.203 62.216 1.987 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.943 4.042 -0.099 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.943 4.043 -0.100 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.561 173.065 1.496 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.444 45.325 0.119 1
1 5 . 10 1 1 A 8 8 GLY H H 8 8.198 8.801 -0.603 1
1 6 . 10 1 1 A 8 8 GLY HA2 H 8 3.922 4.184 -0.262 1
1 7 . 10 1 1 A 8 8 GLY HA3 H 8 3.922 4.186 -0.264 1
1 8 . 10 1 1 A 8 8 GLY C C 8 174.018 173.500 0.518 1
1 9 . 10 1 1 A 8 8 GLY CA C 8 45.107 45.871 -0.764 1
1 10 . 10 1 1 A 8 8 GLY N N 8 108.415 111.386 -2.971 1
1 11 . 10 1 1 A 9 9 GLU H H 9 8.350 7.990 0.360 1
1 12 . 10 1 1 A 9 9 GLU HA H 9 4.173 4.715 -0.542 1
1 17 . 10 1 1 A 9 9 GLU C C 9 176.393 175.968 0.425 1
1 18 . 10 1 1 A 9 9 GLU CA C 9 56.942 55.612 1.330 1
1 19 . 10 1 1 A 9 9 GLU CB C 9 30.240 30.316 -0.076 1
1 21 . 10 1 1 A 9 9 GLU N N 9 120.444 119.551 0.893 1
1 22 . 10 1 1 A 10 10 LYS H H 10 8.332 8.245 0.087 1
1 23 . 10 1 1 A 10 10 LYS HA H 10 4.543 4.902 -0.359 1
1 32 . 10 1 1 A 10 10 LYS C C 10 174.428 175.440 -1.012 1
1 33 . 10 1 1 A 10 10 LYS CA C 10 53.930 52.897 1.033 1
1 34 . 10 1 1 A 10 10 LYS CB C 10 33.487 34.961 -1.474 1
1 38 . 10 1 1 A 10 10 LYS N N 10 121.692 124.756 -3.064 1
1 39 . 10 1 1 A 11 11 PRO HA H 11 4.207 4.299 -0.092 1
1 46 . 10 1 1 A 11 11 PRO C C 11 176.513 175.830 0.683 1
1 47 . 10 1 1 A 11 11 PRO CA C 11 63.793 64.768 -0.975 1
1 48 . 10 1 1 A 11 11 PRO CB C 11 32.413 31.703 0.710 1
1 51 . 10 1 1 A 12 12 TYR H H 12 7.673 7.190 0.483 1
1 52 . 10 1 1 A 12 12 TYR HA H 12 4.713 4.856 -0.143 1
1 59 . 10 1 1 A 12 12 TYR C C 12 174.235 175.275 -1.040 1
1 60 . 10 1 1 A 12 12 TYR CA C 12 57.962 58.219 -0.257 1
1 61 . 10 1 1 A 12 12 TYR CB C 12 39.042 39.706 -0.664 1
1 66 . 10 1 1 A 12 12 TYR N N 12 117.472 118.238 -0.766 1
1 67 . 10 1 1 A 13 13 LYS H H 13 8.748 8.932 -0.184 1
1 68 . 10 1 1 A 13 13 LYS HA H 13 5.148 5.379 -0.231 1
1 77 . 10 1 1 A 13 13 LYS C C 13 174.652 174.818 -0.166 1
1 78 . 10 1 1 A 13 13 LYS CA C 13 54.661 54.597 0.064 1
1 79 . 10 1 1 A 13 13 LYS CB C 13 36.500 36.397 0.103 1
1 83 . 10 1 1 A 13 13 LYS N N 13 124.877 123.207 1.670 1
1 84 . 10 1 1 A 14 14 CYS H H 14 9.450 9.418 0.032 1
1 85 . 10 1 1 A 14 14 CYS HA H 14 4.588 4.722 -0.134 1
1 88 . 10 1 1 A 14 14 CYS C C 14 177.307 176.034 1.273 1
1 89 . 10 1 1 A 14 14 CYS CA C 14 59.198 58.409 0.789 1
1 90 . 10 1 1 A 14 14 CYS CB C 14 29.918 28.548 1.370 1
1 91 . 10 1 1 A 14 14 CYS N N 14 128.056 124.751 3.305 1
1 92 . 10 1 1 A 15 15 GLU H H 15 9.541 9.076 0.465 1
1 93 . 10 1 1 A 15 15 GLU HA H 15 4.161 4.144 0.017 1
1 98 . 10 1 1 A 15 15 GLU C C 15 176.855 178.698 -1.843 1
1 99 . 10 1 1 A 15 15 GLU CA C 15 58.462 59.295 -0.833 1
1 100 . 10 1 1 A 15 15 GLU CB C 15 29.612 29.495 0.117 1
1 102 . 10 1 1 A 15 15 GLU N N 15 131.947 127.992 3.955 1
1 103 . 10 1 1 A 16 16 THR H H 16 8.761 7.740 1.021 1
1 104 . 10 1 1 A 16 16 THR HA H 16 4.016 3.842 0.174 1
1 109 . 10 1 1 A 16 16 THR C C 16 174.867 175.696 -0.829 1
1 110 . 10 1 1 A 16 16 THR CA C 16 66.144 66.431 -0.287 1
1 111 . 10 1 1 A 16 16 THR CB C 16 68.802 68.257 0.545 1
1 113 . 10 1 1 A 16 16 THR N N 16 118.440 117.255 1.185 1
1 114 . 10 1 1 A 17 17 CYS H H 17 8.259 7.778 0.481 1
1 115 . 10 1 1 A 17 17 CYS HA H 17 5.198 4.670 0.528 1
1 118 . 10 1 1 A 17 17 CYS C C 17 176.245 175.684 0.561 1
1 119 . 10 1 1 A 17 17 CYS CA C 17 58.242 59.286 -1.044 1
1 120 . 10 1 1 A 17 17 CYS CB C 17 32.889 30.306 2.583 1
1 121 . 10 1 1 A 17 17 CYS N N 17 118.012 115.854 2.158 1
1 122 . 10 1 1 A 18 18 GLY H H 18 8.142 8.182 -0.040 1
1 123 . 10 1 1 A 18 18 GLY HA2 H 18 3.685 4.064 -0.379 1
1 124 . 10 1 1 A 18 18 GLY HA3 H 18 4.275 4.074 0.201 1
1 125 . 10 1 1 A 18 18 GLY C C 18 173.304 174.778 -1.474 1
1 126 . 10 1 1 A 18 18 GLY CA C 18 46.166 45.227 0.939 1
1 127 . 10 1 1 A 18 18 GLY N N 18 113.635 110.058 3.577 1
1 128 . 10 1 1 A 19 19 ALA H H 19 8.257 7.654 0.603 1
1 129 . 10 1 1 A 19 19 ALA HA H 19 4.006 4.298 -0.292 1
1 133 . 10 1 1 A 19 19 ALA C C 19 175.055 175.931 -0.876 1
1 134 . 10 1 1 A 19 19 ALA CA C 19 53.537 51.954 1.583 1
1 135 . 10 1 1 A 19 19 ALA CB C 19 19.738 20.246 -0.508 1
1 136 . 10 1 1 A 19 19 ALA N N 19 125.690 123.996 1.694 1
1 137 . 10 1 1 A 20 20 ARG H H 20 7.669 7.979 -0.310 1
1 138 . 10 1 1 A 20 20 ARG HA H 20 5.257 5.405 -0.148 1
1 145 . 10 1 1 A 20 20 ARG C C 20 175.609 174.495 1.114 1
1 146 . 10 1 1 A 20 20 ARG CA C 20 54.238 54.225 0.013 1
1 147 . 10 1 1 A 20 20 ARG CB C 20 34.243 34.661 -0.418 1
1 150 . 10 1 1 A 20 20 ARG N N 20 117.237 116.727 0.510 1
1 151 . 10 1 1 A 21 21 PHE H H 21 8.754 9.013 -0.259 1
1 152 . 10 1 1 A 21 21 PHE HA H 21 4.856 4.968 -0.112 1
1 160 . 10 1 1 A 21 21 PHE C C 21 175.009 175.494 -0.485 1
1 161 . 10 1 1 A 21 21 PHE CA C 21 57.344 56.804 0.540 1
1 162 . 10 1 1 A 21 21 PHE CB C 21 44.452 43.212 1.240 1
1 168 . 10 1 1 A 21 21 PHE N N 21 116.093 119.097 -3.004 1
1 169 . 10 1 1 A 22 22 VAL H H 22 9.432 8.781 0.651 1
1 170 . 10 1 1 A 22 22 VAL HA H 22 4.298 4.109 0.189 1
1 178 . 10 1 1 A 22 22 VAL C C 22 175.477 175.532 -0.055 1
1 179 . 10 1 1 A 22 22 VAL CA C 22 64.474 64.114 0.360 1
1 180 . 10 1 1 A 22 22 VAL CB C 22 33.259 32.860 0.399 1
1 183 . 10 1 1 A 22 22 VAL N N 22 119.283 121.638 -2.355 1
1 184 . 10 1 1 A 23 23 GLN H H 23 7.243 7.508 -0.265 1
1 185 . 10 1 1 A 23 23 GLN HA H 23 4.810 4.652 0.158 1
1 192 . 10 1 1 A 23 23 GLN C C 23 176.882 174.989 1.893 1
1 193 . 10 1 1 A 23 23 GLN CA C 23 53.454 53.743 -0.289 1
1 194 . 10 1 1 A 23 23 GLN CB C 23 30.682 31.055 -0.373 1
1 196 . 10 1 1 A 23 23 GLN N N 23 113.909 118.009 -4.100 1
1 198 . 10 1 1 A 24 24 VAL H H 24 8.554 7.698 0.856 1
1 199 . 10 1 1 A 24 24 VAL HA H 24 2.960 3.043 -0.083 1
1 207 . 10 1 1 A 24 24 VAL C C 24 177.337 177.135 0.202 1
1 208 . 10 1 1 A 24 24 VAL CA C 24 65.388 64.482 0.906 1
1 209 . 10 1 1 A 24 24 VAL CB C 24 30.927 31.218 -0.291 1
1 212 . 10 1 1 A 24 24 VAL N N 24 126.915 123.942 2.973 1
1 213 . 10 1 1 A 25 25 ALA H H 25 8.531 8.006 0.525 1
1 214 . 10 1 1 A 25 25 ALA HA H 25 3.933 3.941 -0.008 1
1 218 . 10 1 1 A 25 25 ALA C C 25 180.524 179.323 1.201 1
1 219 . 10 1 1 A 25 25 ALA CA C 25 55.073 54.919 0.154 1
1 220 . 10 1 1 A 25 25 ALA CB C 25 18.311 18.516 -0.205 1
1 221 . 10 1 1 A 25 25 ALA N N 25 122.114 122.588 -0.474 1
1 222 . 10 1 1 A 26 26 HIS H H 26 6.892 7.418 -0.526 1
1 223 . 10 1 1 A 26 26 HIS HA H 26 4.436 4.339 0.097 1
1 228 . 10 1 1 A 26 26 HIS C C 26 178.267 177.370 0.897 1
1 229 . 10 1 1 A 26 26 HIS CA C 26 56.426 59.422 -2.996 1
1 230 . 10 1 1 A 26 26 HIS CB C 26 31.750 30.777 0.973 1
1 233 . 10 1 1 A 26 26 HIS N N 26 115.625 115.172 0.453 1
1 234 . 10 1 1 A 27 27 LEU H H 27 6.854 7.553 -0.699 1
1 235 . 10 1 1 A 27 27 LEU HA H 27 3.189 2.245 0.944 1
1 245 . 10 1 1 A 27 27 LEU C C 27 177.246 178.177 -0.931 1
1 246 . 10 1 1 A 27 27 LEU CA C 27 57.874 57.450 0.424 1
1 247 . 10 1 1 A 27 27 LEU CB C 27 40.685 41.583 -0.898 1
1 251 . 10 1 1 A 27 27 LEU N N 27 122.027 120.494 1.533 1
1 252 . 10 1 1 A 28 28 ARG H H 28 8.252 8.747 -0.495 1
1 253 . 10 1 1 A 28 28 ARG HA H 28 3.867 4.061 -0.194 1
1 260 . 10 1 1 A 28 28 ARG C C 28 178.248 177.442 0.806 1
1 261 . 10 1 1 A 28 28 ARG CA C 28 59.410 57.951 1.459 1
1 262 . 10 1 1 A 28 28 ARG CB C 28 29.762 29.269 0.493 1
1 265 . 10 1 1 A 28 28 ARG N N 28 117.010 117.794 -0.784 1
1 266 . 10 1 1 A 29 29 ALA H H 29 7.223 7.667 -0.444 1
1 267 . 10 1 1 A 29 29 ALA HA H 29 4.146 4.227 -0.081 1
1 271 . 10 1 1 A 29 29 ALA C C 29 179.428 179.148 0.280 1
1 272 . 10 1 1 A 29 29 ALA CA C 29 54.170 53.403 0.767 1
1 273 . 10 1 1 A 29 29 ALA CB C 29 18.345 19.055 -0.710 1
1 274 . 10 1 1 A 29 29 ALA N N 29 118.170 120.840 -2.670 1
1 275 . 10 1 1 A 30 30 HIS H H 30 7.527 8.171 -0.644 1
1 276 . 10 1 1 A 30 30 HIS HA H 30 4.166 4.293 -0.127 1
1 281 . 10 1 1 A 30 30 HIS C C 30 176.978 177.064 -0.086 1
1 282 . 10 1 1 A 30 30 HIS CA C 30 59.490 58.996 0.494 1
1 283 . 10 1 1 A 30 30 HIS CB C 30 28.889 30.292 -1.403 1
1 286 . 10 1 1 A 30 30 HIS N N 30 118.012 118.811 -0.799 1
1 287 . 10 1 1 A 31 31 VAL H H 31 8.251 8.424 -0.173 1
1 288 . 10 1 1 A 31 31 VAL HA H 31 3.659 3.934 -0.275 1
1 296 . 10 1 1 A 31 31 VAL C C 31 177.594 177.779 -0.185 1
1 297 . 10 1 1 A 31 31 VAL CA C 31 65.958 65.580 0.378 1
1 298 . 10 1 1 A 31 31 VAL CB C 31 31.636 31.488 0.148 1
1 301 . 10 1 1 A 31 31 VAL N N 31 112.141 117.247 -5.106 1
1 302 . 10 1 1 A 32 32 LEU H H 32 6.906 7.879 -0.973 1
1 303 . 10 1 1 A 32 32 LEU HA H 32 4.135 4.058 0.077 1
1 313 . 10 1 1 A 32 32 LEU C C 32 179.626 179.351 0.275 1
1 314 . 10 1 1 A 32 32 LEU CA C 32 56.826 57.200 -0.374 1
1 315 . 10 1 1 A 32 32 LEU CB C 32 41.476 41.270 0.206 1
1 319 . 10 1 1 A 32 32 LEU N N 32 119.239 121.716 -2.477 1
1 320 . 10 1 1 A 33 33 ILE H H 33 7.880 7.661 0.219 1
1 321 . 10 1 1 A 33 33 ILE HA H 33 3.971 3.649 0.322 1
1 331 . 10 1 1 A 33 33 ILE C C 33 177.546 177.775 -0.229 1
1 332 . 10 1 1 A 33 33 ILE CA C 33 63.138 64.454 -1.316 1
1 333 . 10 1 1 A 33 33 ILE CB C 33 37.587 37.272 0.315 1
1 337 . 10 1 1 A 33 33 ILE N N 33 116.394 116.067 0.327 1
1 338 . 10 1 1 A 34 34 HIS H H 34 7.360 7.321 0.039 1
1 339 . 10 1 1 A 34 34 HIS HA H 34 4.882 4.404 0.478 1
1 344 . 10 1 1 A 34 34 HIS C C 34 175.699 177.836 -2.137 1
1 345 . 10 1 1 A 34 34 HIS CA C 34 55.093 59.091 -3.998 1
1 346 . 10 1 1 A 34 34 HIS CB C 34 28.461 29.783 -1.322 1
1 349 . 10 1 1 A 34 34 HIS N N 34 117.627 121.130 -3.503 1
1 350 . 10 1 1 A 35 35 THR H H 35 7.805 7.875 -0.070 1
1 351 . 10 1 1 A 35 35 THR HA H 35 4.368 4.016 0.352 1
1 356 . 10 1 1 A 35 35 THR C C 35 175.388 174.722 0.666 1
1 357 . 10 1 1 A 35 35 THR CA C 35 62.548 65.389 -2.841 1
1 358 . 10 1 1 A 35 35 THR CB C 35 69.779 69.104 0.675 1
1 360 . 10 1 1 A 35 35 THR N N 35 112.000 113.452 -1.452 1
1 361 . 10 1 1 A 36 36 GLY H H 36 8.335 7.694 0.641 1
1 362 . 10 1 1 A 36 36 GLY HA2 H 36 4.049 3.977 0.072 1
1 363 . 10 1 1 A 36 36 GLY HA3 H 36 4.049 3.989 0.060 1
1 364 . 10 1 1 A 36 36 GLY C C 36 174.188 173.453 0.735 1
1 365 . 10 1 1 A 36 36 GLY CA C 36 45.444 44.530 0.914 1
1 366 . 10 1 1 A 36 36 GLY N N 36 111.103 109.309 1.794 1
1 367 . 10 1 1 A 37 37 SER H H 37 8.231 8.607 -0.376 1
1 368 . 10 1 1 A 37 37 SER HA H 37 4.521 4.330 0.191 1
1 371 . 10 1 1 A 37 37 SER C C 37 174.567 175.065 -0.498 1
1 372 . 10 1 1 A 37 37 SER CA C 37 58.242 59.684 -1.442 1
1 373 . 10 1 1 A 37 37 SER CB C 37 64.018 63.998 0.020 1
1 374 . 10 1 1 A 37 37 SER N N 37 115.371 117.237 -1.866 1
1 375 . 10 1 1 A 38 38 GLY H H 38 8.310 8.485 -0.175 1
1 376 . 10 1 1 A 38 38 GLY HA2 H 38 4.158 3.977 0.181 1
1 377 . 10 1 1 A 38 38 GLY HA3 H 38 4.094 3.986 0.108 1
1 378 . 10 1 1 A 38 38 GLY C C 38 171.799 174.256 -2.457 1
1 379 . 10 1 1 A 38 38 GLY CA C 38 44.671 44.627 0.044 1
1 380 . 10 1 1 A 38 38 GLY N N 38 110.735 111.482 -0.747 1
1 381 . 10 1 1 A 39 39 PRO HA H 39 4.476 4.396 0.080 1
1 388 . 10 1 1 A 39 39 PRO C C 39 177.307 176.533 0.774 1
1 389 . 10 1 1 A 39 39 PRO CA C 39 63.131 64.936 -1.805 1
1 390 . 10 1 1 A 39 39 PRO CB C 39 32.207 32.033 0.174 1
1 393 . 10 1 1 A 40 40 SER H H 40 8.520 7.942 0.578 1
1 394 . 10 1 1 A 40 40 SER C C 40 174.611 173.456 1.155 1
1 395 . 10 1 1 A 40 40 SER CA C 40 58.516 57.854 0.662 1
1 396 . 10 1 1 A 40 40 SER CB C 40 64.203 64.721 -0.518 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.943 4.112 -0.169 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.943 4.114 -0.171 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.561 172.260 2.301 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.444 45.223 0.221 1
1 5 . 11 1 1 A 8 8 GLY H H 8 8.198 9.019 -0.821 1
1 6 . 11 1 1 A 8 8 GLY HA2 H 8 3.922 4.106 -0.184 1
1 7 . 11 1 1 A 8 8 GLY HA3 H 8 3.922 4.106 -0.184 1
1 8 . 11 1 1 A 8 8 GLY C C 8 174.018 172.501 1.517 1
1 9 . 11 1 1 A 8 8 GLY CA C 8 45.107 45.245 -0.138 1
1 10 . 11 1 1 A 8 8 GLY N N 8 108.415 112.974 -4.559 1
1 11 . 11 1 1 A 9 9 GLU H H 9 8.350 8.974 -0.624 1
1 12 . 11 1 1 A 9 9 GLU HA H 9 4.173 5.063 -0.890 1
1 17 . 11 1 1 A 9 9 GLU C C 9 176.393 174.498 1.895 1
1 18 . 11 1 1 A 9 9 GLU CA C 9 56.942 55.462 1.480 1
1 19 . 11 1 1 A 9 9 GLU CB C 9 30.240 32.394 -2.154 1
1 21 . 11 1 1 A 9 9 GLU N N 9 120.444 119.287 1.157 1
1 22 . 11 1 1 A 10 10 LYS H H 10 8.332 8.496 -0.164 1
1 23 . 11 1 1 A 10 10 LYS HA H 10 4.543 4.934 -0.391 1
1 32 . 11 1 1 A 10 10 LYS C C 10 174.428 175.450 -1.022 1
1 33 . 11 1 1 A 10 10 LYS CA C 10 53.930 52.888 1.042 1
1 34 . 11 1 1 A 10 10 LYS CB C 10 33.487 34.914 -1.427 1
1 38 . 11 1 1 A 10 10 LYS N N 10 121.692 124.891 -3.199 1
1 39 . 11 1 1 A 11 11 PRO HA H 11 4.207 4.315 -0.108 1
1 46 . 11 1 1 A 11 11 PRO C C 11 176.513 175.833 0.680 1
1 47 . 11 1 1 A 11 11 PRO CA C 11 63.793 64.771 -0.978 1
1 48 . 11 1 1 A 11 11 PRO CB C 11 32.413 31.708 0.705 1
1 51 . 11 1 1 A 12 12 TYR H H 12 7.673 7.186 0.487 1
1 52 . 11 1 1 A 12 12 TYR HA H 12 4.713 4.837 -0.124 1
1 59 . 11 1 1 A 12 12 TYR C C 12 174.235 175.236 -1.001 1
1 60 . 11 1 1 A 12 12 TYR CA C 12 57.962 58.224 -0.262 1
1 61 . 11 1 1 A 12 12 TYR CB C 12 39.042 39.815 -0.773 1
1 66 . 11 1 1 A 12 12 TYR N N 12 117.472 118.240 -0.768 1
1 67 . 11 1 1 A 13 13 LYS H H 13 8.748 8.945 -0.197 1
1 68 . 11 1 1 A 13 13 LYS HA H 13 5.148 5.369 -0.221 1
1 77 . 11 1 1 A 13 13 LYS C C 13 174.652 174.912 -0.260 1
1 78 . 11 1 1 A 13 13 LYS CA C 13 54.661 54.621 0.040 1
1 79 . 11 1 1 A 13 13 LYS CB C 13 36.500 36.405 0.095 1
1 83 . 11 1 1 A 13 13 LYS N N 13 124.877 123.139 1.738 1
1 84 . 11 1 1 A 14 14 CYS H H 14 9.450 9.428 0.022 1
1 85 . 11 1 1 A 14 14 CYS HA H 14 4.588 4.702 -0.114 1
1 88 . 11 1 1 A 14 14 CYS C C 14 177.307 175.986 1.321 1
1 89 . 11 1 1 A 14 14 CYS CA C 14 59.198 58.587 0.611 1
1 90 . 11 1 1 A 14 14 CYS CB C 14 29.918 28.256 1.662 1
1 91 . 11 1 1 A 14 14 CYS N N 14 128.056 124.869 3.187 1
1 92 . 11 1 1 A 15 15 GLU H H 15 9.541 9.067 0.474 1
1 93 . 11 1 1 A 15 15 GLU HA H 15 4.161 4.171 -0.010 1
1 98 . 11 1 1 A 15 15 GLU C C 15 176.855 178.717 -1.862 1
1 99 . 11 1 1 A 15 15 GLU CA C 15 58.462 59.372 -0.910 1
1 100 . 11 1 1 A 15 15 GLU CB C 15 29.612 29.566 0.046 1
1 102 . 11 1 1 A 15 15 GLU N N 15 131.947 127.956 3.991 1
1 103 . 11 1 1 A 16 16 THR H H 16 8.761 7.866 0.895 1
1 104 . 11 1 1 A 16 16 THR HA H 16 4.016 3.839 0.177 1
1 109 . 11 1 1 A 16 16 THR C C 16 174.867 175.795 -0.928 1
1 110 . 11 1 1 A 16 16 THR CA C 16 66.144 66.351 -0.207 1
1 111 . 11 1 1 A 16 16 THR CB C 16 68.802 68.446 0.356 1
1 113 . 11 1 1 A 16 16 THR N N 16 118.440 117.291 1.149 1
1 114 . 11 1 1 A 17 17 CYS H H 17 8.259 7.416 0.843 1
1 115 . 11 1 1 A 17 17 CYS HA H 17 5.198 4.679 0.519 1
1 118 . 11 1 1 A 17 17 CYS C C 17 176.245 175.745 0.500 1
1 119 . 11 1 1 A 17 17 CYS CA C 17 58.242 59.304 -1.062 1
1 120 . 11 1 1 A 17 17 CYS CB C 17 32.889 30.252 2.637 1
1 121 . 11 1 1 A 17 17 CYS N N 17 118.012 115.511 2.501 1
1 122 . 11 1 1 A 18 18 GLY H H 18 8.142 8.162 -0.020 1
1 123 . 11 1 1 A 18 18 GLY HA2 H 18 3.685 4.070 -0.385 1
1 124 . 11 1 1 A 18 18 GLY HA3 H 18 4.275 4.081 0.194 1
1 125 . 11 1 1 A 18 18 GLY C C 18 173.304 174.754 -1.450 1
1 126 . 11 1 1 A 18 18 GLY CA C 18 46.166 45.216 0.950 1
1 127 . 11 1 1 A 18 18 GLY N N 18 113.635 109.873 3.762 1
1 128 . 11 1 1 A 19 19 ALA H H 19 8.257 7.653 0.604 1
1 129 . 11 1 1 A 19 19 ALA HA H 19 4.006 4.305 -0.299 1
1 133 . 11 1 1 A 19 19 ALA C C 19 175.055 175.900 -0.845 1
1 134 . 11 1 1 A 19 19 ALA CA C 19 53.537 51.929 1.608 1
1 135 . 11 1 1 A 19 19 ALA CB C 19 19.738 20.283 -0.545 1
1 136 . 11 1 1 A 19 19 ALA N N 19 125.690 123.998 1.692 1
1 137 . 11 1 1 A 20 20 ARG H H 20 7.669 7.983 -0.314 1
1 138 . 11 1 1 A 20 20 ARG HA H 20 5.257 5.403 -0.146 1
1 145 . 11 1 1 A 20 20 ARG C C 20 175.609 174.508 1.101 1
1 146 . 11 1 1 A 20 20 ARG CA C 20 54.238 54.272 -0.034 1
1 147 . 11 1 1 A 20 20 ARG CB C 20 34.243 34.602 -0.359 1
1 150 . 11 1 1 A 20 20 ARG N N 20 117.237 116.843 0.394 1
1 151 . 11 1 1 A 21 21 PHE H H 21 8.754 9.014 -0.260 1
1 152 . 11 1 1 A 21 21 PHE HA H 21 4.856 4.967 -0.111 1
1 160 . 11 1 1 A 21 21 PHE C C 21 175.009 175.486 -0.477 1
1 161 . 11 1 1 A 21 21 PHE CA C 21 57.344 56.803 0.541 1
1 162 . 11 1 1 A 21 21 PHE CB C 21 44.452 43.231 1.221 1
1 168 . 11 1 1 A 21 21 PHE N N 21 116.093 119.095 -3.002 1
1 169 . 11 1 1 A 22 22 VAL H H 22 9.432 8.804 0.628 1
1 170 . 11 1 1 A 22 22 VAL HA H 22 4.298 4.110 0.188 1
1 178 . 11 1 1 A 22 22 VAL C C 22 175.477 175.321 0.156 1
1 179 . 11 1 1 A 22 22 VAL CA C 22 64.474 64.111 0.363 1
1 180 . 11 1 1 A 22 22 VAL CB C 22 33.259 32.783 0.476 1
1 183 . 11 1 1 A 22 22 VAL N N 22 119.283 121.621 -2.338 1
1 184 . 11 1 1 A 23 23 GLN H H 23 7.243 7.505 -0.262 1
1 185 . 11 1 1 A 23 23 GLN HA H 23 4.810 4.666 0.144 1
1 192 . 11 1 1 A 23 23 GLN C C 23 176.882 174.990 1.892 1
1 193 . 11 1 1 A 23 23 GLN CA C 23 53.454 53.783 -0.329 1
1 194 . 11 1 1 A 23 23 GLN CB C 23 30.682 30.999 -0.317 1
1 196 . 11 1 1 A 23 23 GLN N N 23 113.909 118.023 -4.114 1
1 198 . 11 1 1 A 24 24 VAL H H 24 8.554 7.714 0.840 1
1 199 . 11 1 1 A 24 24 VAL HA H 24 2.960 3.031 -0.071 1
1 207 . 11 1 1 A 24 24 VAL C C 24 177.337 177.134 0.203 1
1 208 . 11 1 1 A 24 24 VAL CA C 24 65.388 64.474 0.914 1
1 209 . 11 1 1 A 24 24 VAL CB C 24 30.927 31.207 -0.280 1
1 212 . 11 1 1 A 24 24 VAL N N 24 126.915 124.063 2.852 1
1 213 . 11 1 1 A 25 25 ALA H H 25 8.531 7.984 0.547 1
1 214 . 11 1 1 A 25 25 ALA HA H 25 3.933 3.953 -0.020 1
1 218 . 11 1 1 A 25 25 ALA C C 25 180.524 179.293 1.231 1
1 219 . 11 1 1 A 25 25 ALA CA C 25 55.073 54.924 0.149 1
1 220 . 11 1 1 A 25 25 ALA CB C 25 18.311 18.516 -0.205 1
1 221 . 11 1 1 A 25 25 ALA N N 25 122.114 122.590 -0.476 1
1 222 . 11 1 1 A 26 26 HIS H H 26 6.892 7.439 -0.547 1
1 223 . 11 1 1 A 26 26 HIS HA H 26 4.436 4.338 0.098 1
1 228 . 11 1 1 A 26 26 HIS C C 26 178.267 177.378 0.889 1
1 229 . 11 1 1 A 26 26 HIS CA C 26 56.426 59.425 -2.999 1
1 230 . 11 1 1 A 26 26 HIS CB C 26 31.750 30.770 0.980 1
1 233 . 11 1 1 A 26 26 HIS N N 26 115.625 115.248 0.377 1
1 234 . 11 1 1 A 27 27 LEU H H 27 6.854 7.556 -0.702 1
1 235 . 11 1 1 A 27 27 LEU HA H 27 3.189 2.274 0.915 1
1 245 . 11 1 1 A 27 27 LEU C C 27 177.246 178.182 -0.936 1
1 246 . 11 1 1 A 27 27 LEU CA C 27 57.874 57.472 0.402 1
1 247 . 11 1 1 A 27 27 LEU CB C 27 40.685 41.577 -0.892 1
1 251 . 11 1 1 A 27 27 LEU N N 27 122.027 120.503 1.524 1
1 252 . 11 1 1 A 28 28 ARG H H 28 8.252 8.739 -0.487 1
1 253 . 11 1 1 A 28 28 ARG HA H 28 3.867 4.060 -0.193 1
1 260 . 11 1 1 A 28 28 ARG C C 28 178.248 177.442 0.806 1
1 261 . 11 1 1 A 28 28 ARG CA C 28 59.410 57.954 1.456 1
1 262 . 11 1 1 A 28 28 ARG CB C 28 29.762 29.273 0.489 1
1 265 . 11 1 1 A 28 28 ARG N N 28 117.010 117.799 -0.789 1
1 266 . 11 1 1 A 29 29 ALA H H 29 7.223 7.670 -0.447 1
1 267 . 11 1 1 A 29 29 ALA HA H 29 4.146 4.190 -0.044 1
1 271 . 11 1 1 A 29 29 ALA C C 29 179.428 179.000 0.428 1
1 272 . 11 1 1 A 29 29 ALA CA C 29 54.170 53.398 0.772 1
1 273 . 11 1 1 A 29 29 ALA CB C 29 18.345 19.057 -0.712 1
1 274 . 11 1 1 A 29 29 ALA N N 29 118.170 120.832 -2.662 1
1 275 . 11 1 1 A 30 30 HIS H H 30 7.527 8.161 -0.634 1
1 276 . 11 1 1 A 30 30 HIS HA H 30 4.166 4.289 -0.123 1
1 281 . 11 1 1 A 30 30 HIS C C 30 176.978 177.057 -0.079 1
1 282 . 11 1 1 A 30 30 HIS CA C 30 59.490 58.989 0.501 1
1 283 . 11 1 1 A 30 30 HIS CB C 30 28.889 30.397 -1.508 1
1 286 . 11 1 1 A 30 30 HIS N N 30 118.012 118.810 -0.798 1
1 287 . 11 1 1 A 31 31 VAL H H 31 8.251 8.517 -0.266 1
1 288 . 11 1 1 A 31 31 VAL HA H 31 3.659 3.906 -0.247 1
1 296 . 11 1 1 A 31 31 VAL C C 31 177.594 177.806 -0.212 1
1 297 . 11 1 1 A 31 31 VAL CA C 31 65.958 65.595 0.363 1
1 298 . 11 1 1 A 31 31 VAL CB C 31 31.636 31.448 0.188 1
1 301 . 11 1 1 A 31 31 VAL N N 31 112.141 117.244 -5.103 1
1 302 . 11 1 1 A 32 32 LEU H H 32 6.906 7.892 -0.986 1
1 303 . 11 1 1 A 32 32 LEU HA H 32 4.135 4.043 0.092 1
1 313 . 11 1 1 A 32 32 LEU C C 32 179.626 179.263 0.363 1
1 314 . 11 1 1 A 32 32 LEU CA C 32 56.826 57.259 -0.433 1
1 315 . 11 1 1 A 32 32 LEU CB C 32 41.476 41.218 0.258 1
1 319 . 11 1 1 A 32 32 LEU N N 32 119.239 121.666 -2.427 1
1 320 . 11 1 1 A 33 33 ILE H H 33 7.880 7.588 0.292 1
1 321 . 11 1 1 A 33 33 ILE HA H 33 3.971 3.678 0.293 1
1 331 . 11 1 1 A 33 33 ILE C C 33 177.546 177.652 -0.106 1
1 332 . 11 1 1 A 33 33 ILE CA C 33 63.138 64.505 -1.367 1
1 333 . 11 1 1 A 33 33 ILE CB C 33 37.587 37.272 0.315 1
1 337 . 11 1 1 A 33 33 ILE N N 33 116.394 115.718 0.676 1
1 338 . 11 1 1 A 34 34 HIS H H 34 7.360 7.437 -0.077 1
1 339 . 11 1 1 A 34 34 HIS HA H 34 4.882 4.367 0.515 1
1 344 . 11 1 1 A 34 34 HIS C C 34 175.699 176.415 -0.716 1
1 345 . 11 1 1 A 34 34 HIS CA C 34 55.093 58.929 -3.836 1
1 346 . 11 1 1 A 34 34 HIS CB C 34 28.461 30.232 -1.771 1
1 349 . 11 1 1 A 34 34 HIS N N 34 117.627 120.169 -2.542 1
1 350 . 11 1 1 A 35 35 THR H H 35 7.805 7.493 0.312 1
1 351 . 11 1 1 A 35 35 THR HA H 35 4.368 4.013 0.355 1
1 356 . 11 1 1 A 35 35 THR C C 35 175.388 174.202 1.186 1
1 357 . 11 1 1 A 35 35 THR CA C 35 62.548 63.632 -1.084 1
1 358 . 11 1 1 A 35 35 THR CB C 35 69.779 69.093 0.686 1
1 360 . 11 1 1 A 35 35 THR N N 35 112.000 112.288 -0.288 1
1 361 . 11 1 1 A 36 36 GLY H H 36 8.335 8.567 -0.232 1
1 362 . 11 1 1 A 36 36 GLY HA2 H 36 4.049 4.104 -0.055 1
1 363 . 11 1 1 A 36 36 GLY HA3 H 36 4.049 4.110 -0.061 1
1 364 . 11 1 1 A 36 36 GLY C C 36 174.188 171.226 2.962 1
1 365 . 11 1 1 A 36 36 GLY CA C 36 45.444 44.357 1.087 1
1 366 . 11 1 1 A 36 36 GLY N N 36 111.103 114.372 -3.269 1
1 367 . 11 1 1 A 37 37 SER H H 37 8.231 8.446 -0.215 1
1 368 . 11 1 1 A 37 37 SER HA H 37 4.521 4.973 -0.452 1
1 371 . 11 1 1 A 37 37 SER C C 37 174.567 173.393 1.174 1
1 372 . 11 1 1 A 37 37 SER CA C 37 58.242 57.613 0.629 1
1 373 . 11 1 1 A 37 37 SER CB C 37 64.018 65.755 -1.737 1
1 374 . 11 1 1 A 37 37 SER N N 37 115.371 115.209 0.162 1
1 375 . 11 1 1 A 38 38 GLY H H 38 8.310 8.446 -0.136 1
1 376 . 11 1 1 A 38 38 GLY HA2 H 38 4.158 3.963 0.195 1
1 377 . 11 1 1 A 38 38 GLY HA3 H 38 4.094 3.966 0.128 1
1 378 . 11 1 1 A 38 38 GLY C C 38 171.799 174.805 -3.006 1
1 379 . 11 1 1 A 38 38 GLY CA C 38 44.671 45.717 -1.046 1
1 380 . 11 1 1 A 38 38 GLY N N 38 110.735 112.358 -1.623 1
1 381 . 11 1 1 A 39 39 PRO HA H 39 4.476 4.409 0.067 1
1 388 . 11 1 1 A 39 39 PRO C C 39 177.307 177.387 -0.080 1
1 389 . 11 1 1 A 39 39 PRO CA C 39 63.131 63.861 -0.730 1
1 390 . 11 1 1 A 39 39 PRO CB C 39 32.207 31.678 0.529 1
1 393 . 11 1 1 A 40 40 SER H H 40 8.520 8.299 0.221 1
1 394 . 11 1 1 A 40 40 SER C C 40 174.611 174.995 -0.384 1
1 395 . 11 1 1 A 40 40 SER CA C 40 58.516 61.582 -3.066 1
1 396 . 11 1 1 A 40 40 SER CB C 40 64.203 62.746 1.457 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.943 4.054 -0.111 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.943 4.056 -0.113 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.561 172.511 2.050 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.444 43.952 1.492 1
1 5 . 12 1 1 A 8 8 GLY H H 8 8.198 8.075 0.123 1
1 6 . 12 1 1 A 8 8 GLY HA2 H 8 3.922 4.144 -0.222 1
1 7 . 12 1 1 A 8 8 GLY HA3 H 8 3.922 4.151 -0.229 1
1 8 . 12 1 1 A 8 8 GLY C C 8 174.018 172.561 1.457 1
1 9 . 12 1 1 A 8 8 GLY CA C 8 45.107 44.995 0.112 1
1 10 . 12 1 1 A 8 8 GLY N N 8 108.415 107.695 0.720 1
1 11 . 12 1 1 A 9 9 GLU H H 9 8.350 8.735 -0.385 1
1 12 . 12 1 1 A 9 9 GLU HA H 9 4.173 5.180 -1.007 1
1 17 . 12 1 1 A 9 9 GLU C C 9 176.393 175.527 0.866 1
1 18 . 12 1 1 A 9 9 GLU CA C 9 56.942 55.484 1.458 1
1 19 . 12 1 1 A 9 9 GLU CB C 9 30.240 30.750 -0.510 1
1 21 . 12 1 1 A 9 9 GLU N N 9 120.444 118.161 2.283 1
1 22 . 12 1 1 A 10 10 LYS H H 10 8.332 8.332 0.000 1
1 23 . 12 1 1 A 10 10 LYS HA H 10 4.543 4.954 -0.411 1
1 32 . 12 1 1 A 10 10 LYS C C 10 174.428 175.319 -0.891 1
1 33 . 12 1 1 A 10 10 LYS CA C 10 53.930 53.194 0.736 1
1 34 . 12 1 1 A 10 10 LYS CB C 10 33.487 34.760 -1.273 1
1 38 . 12 1 1 A 10 10 LYS N N 10 121.692 124.941 -3.249 1
1 39 . 12 1 1 A 11 11 PRO HA H 11 4.207 4.344 -0.137 1
1 46 . 12 1 1 A 11 11 PRO C C 11 176.513 175.831 0.682 1
1 47 . 12 1 1 A 11 11 PRO CA C 11 63.793 64.697 -0.904 1
1 48 . 12 1 1 A 11 11 PRO CB C 11 32.413 31.762 0.651 1
1 51 . 12 1 1 A 12 12 TYR H H 12 7.673 7.169 0.504 1
1 52 . 12 1 1 A 12 12 TYR HA H 12 4.713 4.847 -0.134 1
1 59 . 12 1 1 A 12 12 TYR C C 12 174.235 175.100 -0.865 1
1 60 . 12 1 1 A 12 12 TYR CA C 12 57.962 58.217 -0.255 1
1 61 . 12 1 1 A 12 12 TYR CB C 12 39.042 39.916 -0.874 1
1 66 . 12 1 1 A 12 12 TYR N N 12 117.472 118.234 -0.762 1
1 67 . 12 1 1 A 13 13 LYS H H 13 8.748 8.988 -0.240 1
1 68 . 12 1 1 A 13 13 LYS HA H 13 5.148 5.379 -0.231 1
1 77 . 12 1 1 A 13 13 LYS C C 13 174.652 174.900 -0.248 1
1 78 . 12 1 1 A 13 13 LYS CA C 13 54.661 54.599 0.062 1
1 79 . 12 1 1 A 13 13 LYS CB C 13 36.500 36.400 0.100 1
1 83 . 12 1 1 A 13 13 LYS N N 13 124.877 123.129 1.748 1
1 84 . 12 1 1 A 14 14 CYS H H 14 9.450 9.457 -0.007 1
1 85 . 12 1 1 A 14 14 CYS HA H 14 4.588 4.707 -0.119 1
1 88 . 12 1 1 A 14 14 CYS C C 14 177.307 175.983 1.324 1
1 89 . 12 1 1 A 14 14 CYS CA C 14 59.198 58.436 0.762 1
1 90 . 12 1 1 A 14 14 CYS CB C 14 29.918 28.393 1.525 1
1 91 . 12 1 1 A 14 14 CYS N N 14 128.056 124.768 3.288 1
1 92 . 12 1 1 A 15 15 GLU H H 15 9.541 9.043 0.498 1
1 93 . 12 1 1 A 15 15 GLU HA H 15 4.161 4.153 0.008 1
1 98 . 12 1 1 A 15 15 GLU C C 15 176.855 178.667 -1.812 1
1 99 . 12 1 1 A 15 15 GLU CA C 15 58.462 59.372 -0.910 1
1 100 . 12 1 1 A 15 15 GLU CB C 15 29.612 29.496 0.116 1
1 102 . 12 1 1 A 15 15 GLU N N 15 131.947 127.960 3.987 1
1 103 . 12 1 1 A 16 16 THR H H 16 8.761 7.749 1.012 1
1 104 . 12 1 1 A 16 16 THR HA H 16 4.016 3.846 0.170 1
1 109 . 12 1 1 A 16 16 THR C C 16 174.867 175.496 -0.629 1
1 110 . 12 1 1 A 16 16 THR CA C 16 66.144 66.257 -0.113 1
1 111 . 12 1 1 A 16 16 THR CB C 16 68.802 68.474 0.328 1
1 113 . 12 1 1 A 16 16 THR N N 16 118.440 117.371 1.069 1
1 114 . 12 1 1 A 17 17 CYS H H 17 8.259 7.304 0.955 1
1 115 . 12 1 1 A 17 17 CYS HA H 17 5.198 4.694 0.504 1
1 118 . 12 1 1 A 17 17 CYS C C 17 176.245 175.775 0.470 1
1 119 . 12 1 1 A 17 17 CYS CA C 17 58.242 59.283 -1.041 1
1 120 . 12 1 1 A 17 17 CYS CB C 17 32.889 30.155 2.734 1
1 121 . 12 1 1 A 17 17 CYS N N 17 118.012 115.442 2.570 1
1 122 . 12 1 1 A 18 18 GLY H H 18 8.142 8.155 -0.013 1
1 123 . 12 1 1 A 18 18 GLY HA2 H 18 3.685 4.068 -0.383 1
1 124 . 12 1 1 A 18 18 GLY HA3 H 18 4.275 4.078 0.197 1
1 125 . 12 1 1 A 18 18 GLY C C 18 173.304 174.782 -1.478 1
1 126 . 12 1 1 A 18 18 GLY CA C 18 46.166 45.229 0.937 1
1 127 . 12 1 1 A 18 18 GLY N N 18 113.635 109.875 3.760 1
1 128 . 12 1 1 A 19 19 ALA H H 19 8.257 7.636 0.621 1
1 129 . 12 1 1 A 19 19 ALA HA H 19 4.006 4.306 -0.300 1
1 133 . 12 1 1 A 19 19 ALA C C 19 175.055 175.939 -0.884 1
1 134 . 12 1 1 A 19 19 ALA CA C 19 53.537 51.906 1.631 1
1 135 . 12 1 1 A 19 19 ALA CB C 19 19.738 20.346 -0.608 1
1 136 . 12 1 1 A 19 19 ALA N N 19 125.690 124.008 1.682 1
1 137 . 12 1 1 A 20 20 ARG H H 20 7.669 7.987 -0.318 1
1 138 . 12 1 1 A 20 20 ARG HA H 20 5.257 5.407 -0.150 1
1 145 . 12 1 1 A 20 20 ARG C C 20 175.609 174.509 1.100 1
1 146 . 12 1 1 A 20 20 ARG CA C 20 54.238 54.236 0.002 1
1 147 . 12 1 1 A 20 20 ARG CB C 20 34.243 34.639 -0.396 1
1 150 . 12 1 1 A 20 20 ARG N N 20 117.237 116.738 0.499 1
1 151 . 12 1 1 A 21 21 PHE H H 21 8.754 9.003 -0.249 1
1 152 . 12 1 1 A 21 21 PHE HA H 21 4.856 4.970 -0.114 1
1 160 . 12 1 1 A 21 21 PHE C C 21 175.009 175.486 -0.477 1
1 161 . 12 1 1 A 21 21 PHE CA C 21 57.344 56.739 0.605 1
1 162 . 12 1 1 A 21 21 PHE CB C 21 44.452 43.248 1.204 1
1 168 . 12 1 1 A 21 21 PHE N N 21 116.093 119.096 -3.003 1
1 169 . 12 1 1 A 22 22 VAL H H 22 9.432 8.815 0.617 1
1 170 . 12 1 1 A 22 22 VAL HA H 22 4.298 4.137 0.161 1
1 178 . 12 1 1 A 22 22 VAL C C 22 175.477 175.494 -0.017 1
1 179 . 12 1 1 A 22 22 VAL CA C 22 64.474 64.115 0.359 1
1 180 . 12 1 1 A 22 22 VAL CB C 22 33.259 32.978 0.281 1
1 183 . 12 1 1 A 22 22 VAL N N 22 119.283 121.618 -2.335 1
1 184 . 12 1 1 A 23 23 GLN H H 23 7.243 7.510 -0.267 1
1 185 . 12 1 1 A 23 23 GLN HA H 23 4.810 4.643 0.167 1
1 192 . 12 1 1 A 23 23 GLN C C 23 176.882 174.976 1.906 1
1 193 . 12 1 1 A 23 23 GLN CA C 23 53.454 53.697 -0.243 1
1 194 . 12 1 1 A 23 23 GLN CB C 23 30.682 30.997 -0.315 1
1 196 . 12 1 1 A 23 23 GLN N N 23 113.909 118.233 -4.324 1
1 198 . 12 1 1 A 24 24 VAL H H 24 8.554 7.651 0.903 1
1 199 . 12 1 1 A 24 24 VAL HA H 24 2.960 3.024 -0.064 1
1 207 . 12 1 1 A 24 24 VAL C C 24 177.337 177.132 0.205 1
1 208 . 12 1 1 A 24 24 VAL CA C 24 65.388 64.407 0.981 1
1 209 . 12 1 1 A 24 24 VAL CB C 24 30.927 31.213 -0.286 1
1 212 . 12 1 1 A 24 24 VAL N N 24 126.915 124.258 2.657 1
1 213 . 12 1 1 A 25 25 ALA H H 25 8.531 8.046 0.485 1
1 214 . 12 1 1 A 25 25 ALA HA H 25 3.933 3.958 -0.025 1
1 218 . 12 1 1 A 25 25 ALA C C 25 180.524 179.448 1.076 1
1 219 . 12 1 1 A 25 25 ALA CA C 25 55.073 54.945 0.128 1
1 220 . 12 1 1 A 25 25 ALA CB C 25 18.311 18.533 -0.222 1
1 221 . 12 1 1 A 25 25 ALA N N 25 122.114 122.582 -0.468 1
1 222 . 12 1 1 A 26 26 HIS H H 26 6.892 7.479 -0.587 1
1 223 . 12 1 1 A 26 26 HIS HA H 26 4.436 4.345 0.091 1
1 228 . 12 1 1 A 26 26 HIS C C 26 178.267 177.449 0.818 1
1 229 . 12 1 1 A 26 26 HIS CA C 26 56.426 59.403 -2.977 1
1 230 . 12 1 1 A 26 26 HIS CB C 26 31.750 30.630 1.120 1
1 233 . 12 1 1 A 26 26 HIS N N 26 115.625 115.055 0.570 1
1 234 . 12 1 1 A 27 27 LEU H H 27 6.854 7.472 -0.618 1
1 235 . 12 1 1 A 27 27 LEU HA H 27 3.189 2.284 0.905 1
1 245 . 12 1 1 A 27 27 LEU C C 27 177.246 178.117 -0.871 1
1 246 . 12 1 1 A 27 27 LEU CA C 27 57.874 57.510 0.364 1
1 247 . 12 1 1 A 27 27 LEU CB C 27 40.685 41.426 -0.741 1
1 251 . 12 1 1 A 27 27 LEU N N 27 122.027 120.405 1.622 1
1 252 . 12 1 1 A 28 28 ARG H H 28 8.252 8.738 -0.486 1
1 253 . 12 1 1 A 28 28 ARG HA H 28 3.867 4.058 -0.191 1
1 260 . 12 1 1 A 28 28 ARG C C 28 178.248 177.445 0.803 1
1 261 . 12 1 1 A 28 28 ARG CA C 28 59.410 57.959 1.451 1
1 262 . 12 1 1 A 28 28 ARG CB C 28 29.762 29.317 0.445 1
1 265 . 12 1 1 A 28 28 ARG N N 28 117.010 117.793 -0.783 1
1 266 . 12 1 1 A 29 29 ALA H H 29 7.223 7.672 -0.449 1
1 267 . 12 1 1 A 29 29 ALA HA H 29 4.146 4.227 -0.081 1
1 271 . 12 1 1 A 29 29 ALA C C 29 179.428 179.146 0.282 1
1 272 . 12 1 1 A 29 29 ALA CA C 29 54.170 53.394 0.776 1
1 273 . 12 1 1 A 29 29 ALA CB C 29 18.345 19.055 -0.710 1
1 274 . 12 1 1 A 29 29 ALA N N 29 118.170 120.823 -2.653 1
1 275 . 12 1 1 A 30 30 HIS H H 30 7.527 8.169 -0.642 1
1 276 . 12 1 1 A 30 30 HIS HA H 30 4.166 4.292 -0.126 1
1 281 . 12 1 1 A 30 30 HIS C C 30 176.978 177.075 -0.097 1
1 282 . 12 1 1 A 30 30 HIS CA C 30 59.490 58.776 0.714 1
1 283 . 12 1 1 A 30 30 HIS CB C 30 28.889 30.404 -1.515 1
1 286 . 12 1 1 A 30 30 HIS N N 30 118.012 118.811 -0.799 1
1 287 . 12 1 1 A 31 31 VAL H H 31 8.251 8.486 -0.235 1
1 288 . 12 1 1 A 31 31 VAL HA H 31 3.659 3.908 -0.249 1
1 296 . 12 1 1 A 31 31 VAL C C 31 177.594 177.786 -0.192 1
1 297 . 12 1 1 A 31 31 VAL CA C 31 65.958 65.557 0.401 1
1 298 . 12 1 1 A 31 31 VAL CB C 31 31.636 31.487 0.149 1
1 301 . 12 1 1 A 31 31 VAL N N 31 112.141 117.232 -5.091 1
1 302 . 12 1 1 A 32 32 LEU H H 32 6.906 7.910 -1.004 1
1 303 . 12 1 1 A 32 32 LEU HA H 32 4.135 4.027 0.108 1
1 313 . 12 1 1 A 32 32 LEU C C 32 179.626 179.268 0.358 1
1 314 . 12 1 1 A 32 32 LEU CA C 32 56.826 57.311 -0.485 1
1 315 . 12 1 1 A 32 32 LEU CB C 32 41.476 41.269 0.207 1
1 319 . 12 1 1 A 32 32 LEU N N 32 119.239 121.406 -2.167 1
1 320 . 12 1 1 A 33 33 ILE H H 33 7.880 7.566 0.314 1
1 321 . 12 1 1 A 33 33 ILE HA H 33 3.971 3.671 0.300 1
1 331 . 12 1 1 A 33 33 ILE C C 33 177.546 177.780 -0.234 1
1 332 . 12 1 1 A 33 33 ILE CA C 33 63.138 64.496 -1.358 1
1 333 . 12 1 1 A 33 33 ILE CB C 33 37.587 37.286 0.301 1
1 337 . 12 1 1 A 33 33 ILE N N 33 116.394 115.909 0.485 1
1 338 . 12 1 1 A 34 34 HIS H H 34 7.360 7.437 -0.077 1
1 339 . 12 1 1 A 34 34 HIS HA H 34 4.882 4.380 0.502 1
1 344 . 12 1 1 A 34 34 HIS C C 34 175.699 176.408 -0.709 1
1 345 . 12 1 1 A 34 34 HIS CA C 34 55.093 58.819 -3.726 1
1 346 . 12 1 1 A 34 34 HIS CB C 34 28.461 30.230 -1.769 1
1 349 . 12 1 1 A 34 34 HIS N N 34 117.627 120.396 -2.769 1
1 350 . 12 1 1 A 35 35 THR H H 35 7.805 7.464 0.341 1
1 351 . 12 1 1 A 35 35 THR HA H 35 4.368 4.102 0.266 1
1 356 . 12 1 1 A 35 35 THR C C 35 175.388 173.999 1.389 1
1 357 . 12 1 1 A 35 35 THR CA C 35 62.548 63.547 -0.999 1
1 358 . 12 1 1 A 35 35 THR CB C 35 69.779 69.146 0.633 1
1 360 . 12 1 1 A 35 35 THR N N 35 112.000 111.534 0.466 1
1 361 . 12 1 1 A 36 36 GLY H H 36 8.335 8.443 -0.108 1
1 362 . 12 1 1 A 36 36 GLY HA2 H 36 4.049 4.180 -0.131 1
1 363 . 12 1 1 A 36 36 GLY HA3 H 36 4.049 4.184 -0.135 1
1 364 . 12 1 1 A 36 36 GLY C C 36 174.188 172.497 1.691 1
1 365 . 12 1 1 A 36 36 GLY CA C 36 45.444 45.741 -0.297 1
1 366 . 12 1 1 A 36 36 GLY N N 36 111.103 113.641 -2.538 1
1 367 . 12 1 1 A 37 37 SER H H 37 8.231 8.529 -0.298 1
1 368 . 12 1 1 A 37 37 SER HA H 37 4.521 4.623 -0.102 1
1 371 . 12 1 1 A 37 37 SER C C 37 174.567 173.747 0.820 1
1 372 . 12 1 1 A 37 37 SER CA C 37 58.242 58.052 0.190 1
1 373 . 12 1 1 A 37 37 SER CB C 37 64.018 63.254 0.764 1
1 374 . 12 1 1 A 37 37 SER N N 37 115.371 120.731 -5.360 1
1 375 . 12 1 1 A 38 38 GLY H H 38 8.310 7.875 0.435 1
1 376 . 12 1 1 A 38 38 GLY HA2 H 38 4.158 3.925 0.233 1
1 377 . 12 1 1 A 38 38 GLY HA3 H 38 4.094 3.929 0.165 1
1 378 . 12 1 1 A 38 38 GLY C C 38 171.799 174.034 -2.235 1
1 379 . 12 1 1 A 38 38 GLY CA C 38 44.671 46.947 -2.276 1
1 380 . 12 1 1 A 38 38 GLY N N 38 110.735 110.059 0.676 1
1 381 . 12 1 1 A 39 39 PRO HA H 39 4.476 4.551 -0.075 1
1 388 . 12 1 1 A 39 39 PRO C C 39 177.307 176.015 1.292 1
1 389 . 12 1 1 A 39 39 PRO CA C 39 63.131 62.524 0.607 1
1 390 . 12 1 1 A 39 39 PRO CB C 39 32.207 33.052 -0.845 1
1 393 . 12 1 1 A 40 40 SER H H 40 8.520 8.330 0.190 1
1 394 . 12 1 1 A 40 40 SER C C 40 174.611 174.749 -0.138 1
1 395 . 12 1 1 A 40 40 SER CA C 40 58.516 57.231 1.285 1
1 396 . 12 1 1 A 40 40 SER CB C 40 64.203 63.409 0.794 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.943 3.935 0.008 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.943 3.936 0.007 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.561 174.544 0.017 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.444 46.830 -1.386 1
1 5 . 13 1 1 A 8 8 GLY H H 8 8.198 8.153 0.045 1
1 6 . 13 1 1 A 8 8 GLY HA2 H 8 3.922 4.104 -0.182 1
1 7 . 13 1 1 A 8 8 GLY HA3 H 8 3.922 4.109 -0.187 1
1 8 . 13 1 1 A 8 8 GLY C C 8 174.018 172.873 1.145 1
1 9 . 13 1 1 A 8 8 GLY CA C 8 45.107 44.582 0.525 1
1 10 . 13 1 1 A 8 8 GLY N N 8 108.415 106.775 1.640 1
1 11 . 13 1 1 A 9 9 GLU H H 9 8.350 8.879 -0.529 1
1 12 . 13 1 1 A 9 9 GLU HA H 9 4.173 5.132 -0.959 1
1 17 . 13 1 1 A 9 9 GLU C C 9 176.393 175.196 1.197 1
1 18 . 13 1 1 A 9 9 GLU CA C 9 56.942 54.777 2.165 1
1 19 . 13 1 1 A 9 9 GLU CB C 9 30.240 31.844 -1.604 1
1 21 . 13 1 1 A 9 9 GLU N N 9 120.444 120.043 0.401 1
1 22 . 13 1 1 A 10 10 LYS H H 10 8.332 8.497 -0.165 1
1 23 . 13 1 1 A 10 10 LYS HA H 10 4.543 4.936 -0.393 1
1 32 . 13 1 1 A 10 10 LYS C C 10 174.428 175.317 -0.889 1
1 33 . 13 1 1 A 10 10 LYS CA C 10 53.930 53.045 0.885 1
1 34 . 13 1 1 A 10 10 LYS CB C 10 33.487 35.143 -1.656 1
1 38 . 13 1 1 A 10 10 LYS N N 10 121.692 124.624 -2.932 1
1 39 . 13 1 1 A 11 11 PRO HA H 11 4.207 4.316 -0.109 1
1 46 . 13 1 1 A 11 11 PRO C C 11 176.513 175.840 0.673 1
1 47 . 13 1 1 A 11 11 PRO CA C 11 63.793 64.771 -0.978 1
1 48 . 13 1 1 A 11 11 PRO CB C 11 32.413 31.702 0.711 1
1 51 . 13 1 1 A 12 12 TYR H H 12 7.673 7.142 0.531 1
1 52 . 13 1 1 A 12 12 TYR HA H 12 4.713 4.776 -0.063 1
1 59 . 13 1 1 A 12 12 TYR C C 12 174.235 175.238 -1.003 1
1 60 . 13 1 1 A 12 12 TYR CA C 12 57.962 58.233 -0.271 1
1 61 . 13 1 1 A 12 12 TYR CB C 12 39.042 39.857 -0.815 1
1 66 . 13 1 1 A 12 12 TYR N N 12 117.472 118.241 -0.769 1
1 67 . 13 1 1 A 13 13 LYS H H 13 8.748 8.917 -0.169 1
1 68 . 13 1 1 A 13 13 LYS HA H 13 5.148 5.395 -0.247 1
1 77 . 13 1 1 A 13 13 LYS C C 13 174.652 174.802 -0.150 1
1 78 . 13 1 1 A 13 13 LYS CA C 13 54.661 54.608 0.053 1
1 79 . 13 1 1 A 13 13 LYS CB C 13 36.500 36.410 0.090 1
1 83 . 13 1 1 A 13 13 LYS N N 13 124.877 122.961 1.916 1
1 84 . 13 1 1 A 14 14 CYS H H 14 9.450 9.374 0.076 1
1 85 . 13 1 1 A 14 14 CYS HA H 14 4.588 4.739 -0.151 1
1 88 . 13 1 1 A 14 14 CYS C C 14 177.307 176.040 1.267 1
1 89 . 13 1 1 A 14 14 CYS CA C 14 59.198 58.378 0.820 1
1 90 . 13 1 1 A 14 14 CYS CB C 14 29.918 28.742 1.176 1
1 91 . 13 1 1 A 14 14 CYS N N 14 128.056 124.733 3.323 1
1 92 . 13 1 1 A 15 15 GLU H H 15 9.541 9.079 0.462 1
1 93 . 13 1 1 A 15 15 GLU HA H 15 4.161 4.151 0.010 1
1 98 . 13 1 1 A 15 15 GLU C C 15 176.855 178.671 -1.816 1
1 99 . 13 1 1 A 15 15 GLU CA C 15 58.462 59.368 -0.906 1
1 100 . 13 1 1 A 15 15 GLU CB C 15 29.612 29.499 0.113 1
1 102 . 13 1 1 A 15 15 GLU N N 15 131.947 128.045 3.902 1
1 103 . 13 1 1 A 16 16 THR H H 16 8.761 7.800 0.961 1
1 104 . 13 1 1 A 16 16 THR HA H 16 4.016 3.847 0.169 1
1 109 . 13 1 1 A 16 16 THR C C 16 174.867 175.499 -0.632 1
1 110 . 13 1 1 A 16 16 THR CA C 16 66.144 66.257 -0.113 1
1 111 . 13 1 1 A 16 16 THR CB C 16 68.802 68.475 0.327 1
1 113 . 13 1 1 A 16 16 THR N N 16 118.440 117.363 1.077 1
1 114 . 13 1 1 A 17 17 CYS H H 17 8.259 7.276 0.983 1
1 115 . 13 1 1 A 17 17 CYS HA H 17 5.198 4.668 0.530 1
1 118 . 13 1 1 A 17 17 CYS C C 17 176.245 175.778 0.467 1
1 119 . 13 1 1 A 17 17 CYS CA C 17 58.242 59.288 -1.046 1
1 120 . 13 1 1 A 17 17 CYS CB C 17 32.889 30.169 2.720 1
1 121 . 13 1 1 A 17 17 CYS N N 17 118.012 115.782 2.230 1
1 122 . 13 1 1 A 18 18 GLY H H 18 8.142 8.239 -0.097 1
1 123 . 13 1 1 A 18 18 GLY HA2 H 18 3.685 4.071 -0.386 1
1 124 . 13 1 1 A 18 18 GLY HA3 H 18 4.275 4.082 0.193 1
1 125 . 13 1 1 A 18 18 GLY C C 18 173.304 174.776 -1.472 1
1 126 . 13 1 1 A 18 18 GLY CA C 18 46.166 45.229 0.937 1
1 127 . 13 1 1 A 18 18 GLY N N 18 113.635 110.064 3.571 1
1 128 . 13 1 1 A 19 19 ALA H H 19 8.257 7.655 0.602 1
1 129 . 13 1 1 A 19 19 ALA HA H 19 4.006 4.305 -0.299 1
1 133 . 13 1 1 A 19 19 ALA C C 19 175.055 175.870 -0.815 1
1 134 . 13 1 1 A 19 19 ALA CA C 19 53.537 51.896 1.641 1
1 135 . 13 1 1 A 19 19 ALA CB C 19 19.738 20.335 -0.597 1
1 136 . 13 1 1 A 19 19 ALA N N 19 125.690 124.006 1.684 1
1 137 . 13 1 1 A 20 20 ARG H H 20 7.669 7.992 -0.323 1
1 138 . 13 1 1 A 20 20 ARG HA H 20 5.257 5.428 -0.171 1
1 145 . 13 1 1 A 20 20 ARG C C 20 175.609 174.520 1.089 1
1 146 . 13 1 1 A 20 20 ARG CA C 20 54.238 54.284 -0.046 1
1 147 . 13 1 1 A 20 20 ARG CB C 20 34.243 34.613 -0.370 1
1 150 . 13 1 1 A 20 20 ARG N N 20 117.237 116.747 0.490 1
1 151 . 13 1 1 A 21 21 PHE H H 21 8.754 9.033 -0.279 1
1 152 . 13 1 1 A 21 21 PHE HA H 21 4.856 4.974 -0.118 1
1 160 . 13 1 1 A 21 21 PHE C C 21 175.009 175.492 -0.483 1
1 161 . 13 1 1 A 21 21 PHE CA C 21 57.344 56.742 0.602 1
1 162 . 13 1 1 A 21 21 PHE CB C 21 44.452 43.254 1.198 1
1 168 . 13 1 1 A 21 21 PHE N N 21 116.093 119.099 -3.006 1
1 169 . 13 1 1 A 22 22 VAL H H 22 9.432 8.827 0.605 1
1 170 . 13 1 1 A 22 22 VAL HA H 22 4.298 4.116 0.182 1
1 178 . 13 1 1 A 22 22 VAL C C 22 175.477 175.499 -0.022 1
1 179 . 13 1 1 A 22 22 VAL CA C 22 64.474 64.123 0.351 1
1 180 . 13 1 1 A 22 22 VAL CB C 22 33.259 32.986 0.273 1
1 183 . 13 1 1 A 22 22 VAL N N 22 119.283 121.628 -2.345 1
1 184 . 13 1 1 A 23 23 GLN H H 23 7.243 7.539 -0.296 1
1 185 . 13 1 1 A 23 23 GLN HA H 23 4.810 4.666 0.144 1
1 192 . 13 1 1 A 23 23 GLN C C 23 176.882 175.021 1.861 1
1 193 . 13 1 1 A 23 23 GLN CA C 23 53.454 53.718 -0.264 1
1 194 . 13 1 1 A 23 23 GLN CB C 23 30.682 30.990 -0.308 1
1 196 . 13 1 1 A 23 23 GLN N N 23 113.909 118.052 -4.143 1
1 198 . 13 1 1 A 24 24 VAL H H 24 8.554 7.675 0.879 1
1 199 . 13 1 1 A 24 24 VAL HA H 24 2.960 2.998 -0.038 1
1 207 . 13 1 1 A 24 24 VAL C C 24 177.337 177.061 0.276 1
1 208 . 13 1 1 A 24 24 VAL CA C 24 65.388 64.388 1.000 1
1 209 . 13 1 1 A 24 24 VAL CB C 24 30.927 31.179 -0.252 1
1 212 . 13 1 1 A 24 24 VAL N N 24 126.915 124.279 2.636 1
1 213 . 13 1 1 A 25 25 ALA H H 25 8.531 8.067 0.464 1
1 214 . 13 1 1 A 25 25 ALA HA H 25 3.933 3.954 -0.021 1
1 218 . 13 1 1 A 25 25 ALA C C 25 180.524 179.488 1.036 1
1 219 . 13 1 1 A 25 25 ALA CA C 25 55.073 54.983 0.090 1
1 220 . 13 1 1 A 25 25 ALA CB C 25 18.311 18.500 -0.189 1
1 221 . 13 1 1 A 25 25 ALA N N 25 122.114 122.573 -0.459 1
1 222 . 13 1 1 A 26 26 HIS H H 26 6.892 7.469 -0.577 1
1 223 . 13 1 1 A 26 26 HIS HA H 26 4.436 4.328 0.108 1
1 228 . 13 1 1 A 26 26 HIS C C 26 178.267 177.456 0.811 1
1 229 . 13 1 1 A 26 26 HIS CA C 26 56.426 59.412 -2.986 1
1 230 . 13 1 1 A 26 26 HIS CB C 26 31.750 30.633 1.117 1
1 233 . 13 1 1 A 26 26 HIS N N 26 115.625 115.063 0.562 1
1 234 . 13 1 1 A 27 27 LEU H H 27 6.854 7.466 -0.612 1
1 235 . 13 1 1 A 27 27 LEU HA H 27 3.189 2.232 0.957 1
1 245 . 13 1 1 A 27 27 LEU C C 27 177.246 178.166 -0.920 1
1 246 . 13 1 1 A 27 27 LEU CA C 27 57.874 57.490 0.384 1
1 247 . 13 1 1 A 27 27 LEU CB C 27 40.685 41.431 -0.746 1
1 251 . 13 1 1 A 27 27 LEU N N 27 122.027 120.402 1.625 1
1 252 . 13 1 1 A 28 28 ARG H H 28 8.252 8.728 -0.476 1
1 253 . 13 1 1 A 28 28 ARG HA H 28 3.867 4.049 -0.182 1
1 260 . 13 1 1 A 28 28 ARG C C 28 178.248 177.405 0.843 1
1 261 . 13 1 1 A 28 28 ARG CA C 28 59.410 58.069 1.341 1
1 262 . 13 1 1 A 28 28 ARG CB C 28 29.762 29.336 0.426 1
1 265 . 13 1 1 A 28 28 ARG N N 28 117.010 117.773 -0.763 1
1 266 . 13 1 1 A 29 29 ALA H H 29 7.223 7.713 -0.490 1
1 267 . 13 1 1 A 29 29 ALA HA H 29 4.146 4.203 -0.057 1
1 271 . 13 1 1 A 29 29 ALA C C 29 179.428 179.153 0.275 1
1 272 . 13 1 1 A 29 29 ALA CA C 29 54.170 53.478 0.692 1
1 273 . 13 1 1 A 29 29 ALA CB C 29 18.345 19.035 -0.690 1
1 274 . 13 1 1 A 29 29 ALA N N 29 118.170 120.986 -2.816 1
1 275 . 13 1 1 A 30 30 HIS H H 30 7.527 8.209 -0.682 1
1 276 . 13 1 1 A 30 30 HIS HA H 30 4.166 4.295 -0.129 1
1 281 . 13 1 1 A 30 30 HIS C C 30 176.978 177.076 -0.098 1
1 282 . 13 1 1 A 30 30 HIS CA C 30 59.490 58.779 0.711 1
1 283 . 13 1 1 A 30 30 HIS CB C 30 28.889 30.412 -1.523 1
1 286 . 13 1 1 A 30 30 HIS N N 30 118.012 118.810 -0.798 1
1 287 . 13 1 1 A 31 31 VAL H H 31 8.251 8.475 -0.224 1
1 288 . 13 1 1 A 31 31 VAL HA H 31 3.659 3.910 -0.251 1
1 296 . 13 1 1 A 31 31 VAL C C 31 177.594 177.790 -0.196 1
1 297 . 13 1 1 A 31 31 VAL CA C 31 65.958 65.547 0.411 1
1 298 . 13 1 1 A 31 31 VAL CB C 31 31.636 31.488 0.148 1
1 301 . 13 1 1 A 31 31 VAL N N 31 112.141 117.229 -5.088 1
1 302 . 13 1 1 A 32 32 LEU H H 32 6.906 7.875 -0.969 1
1 303 . 13 1 1 A 32 32 LEU HA H 32 4.135 4.033 0.102 1
1 313 . 13 1 1 A 32 32 LEU C C 32 179.626 179.350 0.276 1
1 314 . 13 1 1 A 32 32 LEU CA C 32 56.826 57.250 -0.424 1
1 315 . 13 1 1 A 32 32 LEU CB C 32 41.476 41.259 0.217 1
1 319 . 13 1 1 A 32 32 LEU N N 32 119.239 121.451 -2.212 1
1 320 . 13 1 1 A 33 33 ILE H H 33 7.880 7.647 0.233 1
1 321 . 13 1 1 A 33 33 ILE HA H 33 3.971 3.650 0.321 1
1 331 . 13 1 1 A 33 33 ILE C C 33 177.546 177.771 -0.225 1
1 332 . 13 1 1 A 33 33 ILE CA C 33 63.138 64.479 -1.341 1
1 333 . 13 1 1 A 33 33 ILE CB C 33 37.587 37.276 0.311 1
1 337 . 13 1 1 A 33 33 ILE N N 33 116.394 115.535 0.859 1
1 338 . 13 1 1 A 34 34 HIS H H 34 7.360 7.317 0.043 1
1 339 . 13 1 1 A 34 34 HIS HA H 34 4.882 4.404 0.478 1
1 344 . 13 1 1 A 34 34 HIS C C 34 175.699 177.863 -2.164 1
1 345 . 13 1 1 A 34 34 HIS CA C 34 55.093 59.085 -3.992 1
1 346 . 13 1 1 A 34 34 HIS CB C 34 28.461 29.777 -1.316 1
1 349 . 13 1 1 A 34 34 HIS N N 34 117.627 121.095 -3.468 1
1 350 . 13 1 1 A 35 35 THR H H 35 7.805 7.615 0.190 1
1 351 . 13 1 1 A 35 35 THR HA H 35 4.368 3.948 0.420 1
1 356 . 13 1 1 A 35 35 THR C C 35 175.388 174.671 0.717 1
1 357 . 13 1 1 A 35 35 THR CA C 35 62.548 65.090 -2.542 1
1 358 . 13 1 1 A 35 35 THR CB C 35 69.779 69.737 0.042 1
1 360 . 13 1 1 A 35 35 THR N N 35 112.000 112.151 -0.151 1
1 361 . 13 1 1 A 36 36 GLY H H 36 8.335 7.813 0.522 1
1 362 . 13 1 1 A 36 36 GLY HA2 H 36 4.049 4.011 0.038 1
1 363 . 13 1 1 A 36 36 GLY HA3 H 36 4.049 4.027 0.022 1
1 364 . 13 1 1 A 36 36 GLY C C 36 174.188 173.637 0.551 1
1 365 . 13 1 1 A 36 36 GLY CA C 36 45.444 44.575 0.869 1
1 366 . 13 1 1 A 36 36 GLY N N 36 111.103 108.763 2.340 1
1 367 . 13 1 1 A 37 37 SER H H 37 8.231 8.180 0.051 1
1 368 . 13 1 1 A 37 37 SER HA H 37 4.521 4.590 -0.069 1
1 371 . 13 1 1 A 37 37 SER C C 37 174.567 174.788 -0.221 1
1 372 . 13 1 1 A 37 37 SER CA C 37 58.242 57.679 0.563 1
1 373 . 13 1 1 A 37 37 SER CB C 37 64.018 65.391 -1.373 1
1 374 . 13 1 1 A 37 37 SER N N 37 115.371 113.515 1.856 1
1 375 . 13 1 1 A 38 38 GLY H H 38 8.310 8.483 -0.173 1
1 376 . 13 1 1 A 38 38 GLY HA2 H 38 4.158 4.021 0.137 1
1 377 . 13 1 1 A 38 38 GLY HA3 H 38 4.094 4.022 0.072 1
1 378 . 13 1 1 A 38 38 GLY C C 38 171.799 174.479 -2.680 1
1 379 . 13 1 1 A 38 38 GLY CA C 38 44.671 45.336 -0.665 1
1 380 . 13 1 1 A 38 38 GLY N N 38 110.735 108.362 2.373 1
1 381 . 13 1 1 A 39 39 PRO HA H 39 4.476 4.390 0.086 1
1 388 . 13 1 1 A 39 39 PRO C C 39 177.307 176.311 0.996 1
1 389 . 13 1 1 A 39 39 PRO CA C 39 63.131 64.828 -1.697 1
1 390 . 13 1 1 A 39 39 PRO CB C 39 32.207 32.091 0.116 1
1 393 . 13 1 1 A 40 40 SER H H 40 8.520 7.637 0.883 1
1 394 . 13 1 1 A 40 40 SER C C 40 174.611 172.303 2.308 1
1 395 . 13 1 1 A 40 40 SER CA C 40 58.516 56.595 1.921 1
1 396 . 13 1 1 A 40 40 SER CB C 40 64.203 64.795 -0.592 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.943 4.085 -0.142 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.943 4.087 -0.144 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.561 174.282 0.279 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.444 44.733 0.711 1
1 5 . 14 1 1 A 8 8 GLY H H 8 8.198 7.713 0.485 1
1 6 . 14 1 1 A 8 8 GLY HA2 H 8 3.922 3.936 -0.014 1
1 7 . 14 1 1 A 8 8 GLY HA3 H 8 3.922 3.942 -0.020 1
1 8 . 14 1 1 A 8 8 GLY C C 8 174.018 174.301 -0.283 1
1 9 . 14 1 1 A 8 8 GLY CA C 8 45.107 45.366 -0.259 1
1 10 . 14 1 1 A 8 8 GLY N N 8 108.415 109.760 -1.345 1
1 11 . 14 1 1 A 9 9 GLU H H 9 8.350 8.009 0.341 1
1 12 . 14 1 1 A 9 9 GLU HA H 9 4.173 4.572 -0.399 1
1 17 . 14 1 1 A 9 9 GLU C C 9 176.393 176.042 0.351 1
1 18 . 14 1 1 A 9 9 GLU CA C 9 56.942 55.823 1.119 1
1 19 . 14 1 1 A 9 9 GLU CB C 9 30.240 30.724 -0.484 1
1 21 . 14 1 1 A 9 9 GLU N N 9 120.444 118.877 1.567 1
1 22 . 14 1 1 A 10 10 LYS H H 10 8.332 8.255 0.077 1
1 23 . 14 1 1 A 10 10 LYS HA H 10 4.543 4.988 -0.445 1
1 32 . 14 1 1 A 10 10 LYS C C 10 174.428 175.315 -0.887 1
1 33 . 14 1 1 A 10 10 LYS CA C 10 53.930 53.190 0.740 1
1 34 . 14 1 1 A 10 10 LYS CB C 10 33.487 34.819 -1.332 1
1 38 . 14 1 1 A 10 10 LYS N N 10 121.692 123.763 -2.071 1
1 39 . 14 1 1 A 11 11 PRO HA H 11 4.207 4.342 -0.135 1
1 46 . 14 1 1 A 11 11 PRO C C 11 176.513 175.831 0.682 1
1 47 . 14 1 1 A 11 11 PRO CA C 11 63.793 64.694 -0.901 1
1 48 . 14 1 1 A 11 11 PRO CB C 11 32.413 31.671 0.742 1
1 51 . 14 1 1 A 12 12 TYR H H 12 7.673 7.152 0.521 1
1 52 . 14 1 1 A 12 12 TYR HA H 12 4.713 4.858 -0.145 1
1 59 . 14 1 1 A 12 12 TYR C C 12 174.235 175.068 -0.833 1
1 60 . 14 1 1 A 12 12 TYR CA C 12 57.962 58.216 -0.254 1
1 61 . 14 1 1 A 12 12 TYR CB C 12 39.042 39.864 -0.822 1
1 66 . 14 1 1 A 12 12 TYR N N 12 117.472 118.234 -0.762 1
1 67 . 14 1 1 A 13 13 LYS H H 13 8.748 8.991 -0.243 1
1 68 . 14 1 1 A 13 13 LYS HA H 13 5.148 5.382 -0.234 1
1 77 . 14 1 1 A 13 13 LYS C C 13 174.652 174.802 -0.150 1
1 78 . 14 1 1 A 13 13 LYS CA C 13 54.661 54.601 0.060 1
1 79 . 14 1 1 A 13 13 LYS CB C 13 36.500 36.379 0.121 1
1 83 . 14 1 1 A 13 13 LYS N N 13 124.877 123.021 1.856 1
1 84 . 14 1 1 A 14 14 CYS H H 14 9.450 9.389 0.061 1
1 85 . 14 1 1 A 14 14 CYS HA H 14 4.588 4.739 -0.151 1
1 88 . 14 1 1 A 14 14 CYS C C 14 177.307 176.039 1.268 1
1 89 . 14 1 1 A 14 14 CYS CA C 14 59.198 58.373 0.825 1
1 90 . 14 1 1 A 14 14 CYS CB C 14 29.918 28.631 1.287 1
1 91 . 14 1 1 A 14 14 CYS N N 14 128.056 124.742 3.314 1
1 92 . 14 1 1 A 15 15 GLU H H 15 9.541 9.077 0.464 1
1 93 . 14 1 1 A 15 15 GLU HA H 15 4.161 4.151 0.010 1
1 98 . 14 1 1 A 15 15 GLU C C 15 176.855 178.705 -1.850 1
1 99 . 14 1 1 A 15 15 GLU CA C 15 58.462 59.370 -0.908 1
1 100 . 14 1 1 A 15 15 GLU CB C 15 29.612 29.502 0.110 1
1 102 . 14 1 1 A 15 15 GLU N N 15 131.947 128.035 3.912 1
1 103 . 14 1 1 A 16 16 THR H H 16 8.761 7.803 0.958 1
1 104 . 14 1 1 A 16 16 THR HA H 16 4.016 3.848 0.168 1
1 109 . 14 1 1 A 16 16 THR C C 16 174.867 175.793 -0.926 1
1 110 . 14 1 1 A 16 16 THR CA C 16 66.144 66.435 -0.291 1
1 111 . 14 1 1 A 16 16 THR CB C 16 68.802 68.245 0.557 1
1 113 . 14 1 1 A 16 16 THR N N 16 118.440 117.363 1.077 1
1 114 . 14 1 1 A 17 17 CYS H H 17 8.259 7.320 0.939 1
1 115 . 14 1 1 A 17 17 CYS HA H 17 5.198 4.677 0.521 1
1 118 . 14 1 1 A 17 17 CYS C C 17 176.245 175.690 0.555 1
1 119 . 14 1 1 A 17 17 CYS CA C 17 58.242 59.298 -1.056 1
1 120 . 14 1 1 A 17 17 CYS CB C 17 32.889 30.259 2.630 1
1 121 . 14 1 1 A 17 17 CYS N N 17 118.012 115.868 2.144 1
1 122 . 14 1 1 A 18 18 GLY H H 18 8.142 8.219 -0.077 1
1 123 . 14 1 1 A 18 18 GLY HA2 H 18 3.685 4.073 -0.388 1
1 124 . 14 1 1 A 18 18 GLY HA3 H 18 4.275 4.083 0.192 1
1 125 . 14 1 1 A 18 18 GLY C C 18 173.304 174.776 -1.472 1
1 126 . 14 1 1 A 18 18 GLY CA C 18 46.166 45.232 0.934 1
1 127 . 14 1 1 A 18 18 GLY N N 18 113.635 110.065 3.570 1
1 128 . 14 1 1 A 19 19 ALA H H 19 8.257 7.658 0.599 1
1 129 . 14 1 1 A 19 19 ALA HA H 19 4.006 4.302 -0.296 1
1 133 . 14 1 1 A 19 19 ALA C C 19 175.055 175.931 -0.876 1
1 134 . 14 1 1 A 19 19 ALA CA C 19 53.537 51.894 1.643 1
1 135 . 14 1 1 A 19 19 ALA CB C 19 19.738 20.326 -0.588 1
1 136 . 14 1 1 A 19 19 ALA N N 19 125.690 124.006 1.684 1
1 137 . 14 1 1 A 20 20 ARG H H 20 7.669 7.984 -0.315 1
1 138 . 14 1 1 A 20 20 ARG HA H 20 5.257 5.413 -0.156 1
1 145 . 14 1 1 A 20 20 ARG C C 20 175.609 174.515 1.094 1
1 146 . 14 1 1 A 20 20 ARG CA C 20 54.238 54.233 0.005 1
1 147 . 14 1 1 A 20 20 ARG CB C 20 34.243 34.610 -0.367 1
1 150 . 14 1 1 A 20 20 ARG N N 20 117.237 116.734 0.503 1
1 151 . 14 1 1 A 21 21 PHE H H 21 8.754 9.004 -0.250 1
1 152 . 14 1 1 A 21 21 PHE HA H 21 4.856 4.969 -0.113 1
1 160 . 14 1 1 A 21 21 PHE C C 21 175.009 175.488 -0.479 1
1 161 . 14 1 1 A 21 21 PHE CA C 21 57.344 56.806 0.538 1
1 162 . 14 1 1 A 21 21 PHE CB C 21 44.452 43.239 1.213 1
1 168 . 14 1 1 A 21 21 PHE N N 21 116.093 119.094 -3.001 1
1 169 . 14 1 1 A 22 22 VAL H H 22 9.432 8.811 0.621 1
1 170 . 14 1 1 A 22 22 VAL HA H 22 4.298 4.111 0.187 1
1 178 . 14 1 1 A 22 22 VAL C C 22 175.477 175.321 0.156 1
1 179 . 14 1 1 A 22 22 VAL CA C 22 64.474 64.112 0.362 1
1 180 . 14 1 1 A 22 22 VAL CB C 22 33.259 32.786 0.473 1
1 183 . 14 1 1 A 22 22 VAL N N 22 119.283 121.622 -2.339 1
1 184 . 14 1 1 A 23 23 GLN H H 23 7.243 7.512 -0.269 1
1 185 . 14 1 1 A 23 23 GLN HA H 23 4.810 4.657 0.153 1
1 192 . 14 1 1 A 23 23 GLN C C 23 176.882 174.997 1.885 1
1 193 . 14 1 1 A 23 23 GLN CA C 23 53.454 53.789 -0.335 1
1 194 . 14 1 1 A 23 23 GLN CB C 23 30.682 30.998 -0.316 1
1 196 . 14 1 1 A 23 23 GLN N N 23 113.909 118.030 -4.121 1
1 198 . 14 1 1 A 24 24 VAL H H 24 8.554 7.716 0.838 1
1 199 . 14 1 1 A 24 24 VAL HA H 24 2.960 3.022 -0.062 1
1 207 . 14 1 1 A 24 24 VAL C C 24 177.337 177.131 0.206 1
1 208 . 14 1 1 A 24 24 VAL CA C 24 65.388 64.396 0.992 1
1 209 . 14 1 1 A 24 24 VAL CB C 24 30.927 31.193 -0.266 1
1 212 . 14 1 1 A 24 24 VAL N N 24 126.915 124.234 2.681 1
1 213 . 14 1 1 A 25 25 ALA H H 25 8.531 7.976 0.555 1
1 214 . 14 1 1 A 25 25 ALA HA H 25 3.933 3.953 -0.020 1
1 218 . 14 1 1 A 25 25 ALA C C 25 180.524 179.492 1.032 1
1 219 . 14 1 1 A 25 25 ALA CA C 25 55.073 54.945 0.128 1
1 220 . 14 1 1 A 25 25 ALA CB C 25 18.311 18.512 -0.201 1
1 221 . 14 1 1 A 25 25 ALA N N 25 122.114 122.586 -0.472 1
1 222 . 14 1 1 A 26 26 HIS H H 26 6.892 7.443 -0.551 1
1 223 . 14 1 1 A 26 26 HIS HA H 26 4.436 4.346 0.090 1
1 228 . 14 1 1 A 26 26 HIS C C 26 178.267 177.446 0.821 1
1 229 . 14 1 1 A 26 26 HIS CA C 26 56.426 59.384 -2.958 1
1 230 . 14 1 1 A 26 26 HIS CB C 26 31.750 30.634 1.116 1
1 233 . 14 1 1 A 26 26 HIS N N 26 115.625 115.055 0.570 1
1 234 . 14 1 1 A 27 27 LEU H H 27 6.854 7.471 -0.617 1
1 235 . 14 1 1 A 27 27 LEU HA H 27 3.189 2.260 0.929 1
1 245 . 14 1 1 A 27 27 LEU C C 27 177.246 178.108 -0.862 1
1 246 . 14 1 1 A 27 27 LEU CA C 27 57.874 57.497 0.377 1
1 247 . 14 1 1 A 27 27 LEU CB C 27 40.685 41.394 -0.709 1
1 251 . 14 1 1 A 27 27 LEU N N 27 122.027 120.401 1.626 1
1 252 . 14 1 1 A 28 28 ARG H H 28 8.252 8.739 -0.487 1
1 253 . 14 1 1 A 28 28 ARG HA H 28 3.867 4.056 -0.189 1
1 260 . 14 1 1 A 28 28 ARG C C 28 178.248 177.424 0.824 1
1 261 . 14 1 1 A 28 28 ARG CA C 28 59.410 57.962 1.448 1
1 262 . 14 1 1 A 28 28 ARG CB C 28 29.762 29.326 0.436 1
1 265 . 14 1 1 A 28 28 ARG N N 28 117.010 117.781 -0.771 1
1 266 . 14 1 1 A 29 29 ALA H H 29 7.223 7.695 -0.472 1
1 267 . 14 1 1 A 29 29 ALA HA H 29 4.146 4.204 -0.058 1
1 271 . 14 1 1 A 29 29 ALA C C 29 179.428 179.153 0.275 1
1 272 . 14 1 1 A 29 29 ALA CA C 29 54.170 53.472 0.698 1
1 273 . 14 1 1 A 29 29 ALA CB C 29 18.345 19.034 -0.689 1
1 274 . 14 1 1 A 29 29 ALA N N 29 118.170 120.813 -2.643 1
1 275 . 14 1 1 A 30 30 HIS H H 30 7.527 8.176 -0.649 1
1 276 . 14 1 1 A 30 30 HIS HA H 30 4.166 4.292 -0.126 1
1 281 . 14 1 1 A 30 30 HIS C C 30 176.978 177.061 -0.083 1
1 282 . 14 1 1 A 30 30 HIS CA C 30 59.490 59.002 0.488 1
1 283 . 14 1 1 A 30 30 HIS CB C 30 28.889 30.282 -1.393 1
1 286 . 14 1 1 A 30 30 HIS N N 30 118.012 118.809 -0.797 1
1 287 . 14 1 1 A 31 31 VAL H H 31 8.251 8.491 -0.240 1
1 288 . 14 1 1 A 31 31 VAL HA H 31 3.659 3.913 -0.254 1
1 296 . 14 1 1 A 31 31 VAL C C 31 177.594 177.846 -0.252 1
1 297 . 14 1 1 A 31 31 VAL CA C 31 65.958 65.586 0.372 1
1 298 . 14 1 1 A 31 31 VAL CB C 31 31.636 31.479 0.157 1
1 301 . 14 1 1 A 31 31 VAL N N 31 112.141 117.256 -5.115 1
1 302 . 14 1 1 A 32 32 LEU H H 32 6.906 7.891 -0.985 1
1 303 . 14 1 1 A 32 32 LEU HA H 32 4.135 4.018 0.117 1
1 313 . 14 1 1 A 32 32 LEU C C 32 179.626 179.213 0.413 1
1 314 . 14 1 1 A 32 32 LEU CA C 32 56.826 57.305 -0.479 1
1 315 . 14 1 1 A 32 32 LEU CB C 32 41.476 41.274 0.202 1
1 319 . 14 1 1 A 32 32 LEU N N 32 119.239 121.650 -2.411 1
1 320 . 14 1 1 A 33 33 ILE H H 33 7.880 7.595 0.285 1
1 321 . 14 1 1 A 33 33 ILE HA H 33 3.971 3.677 0.294 1
1 331 . 14 1 1 A 33 33 ILE C C 33 177.546 177.714 -0.168 1
1 332 . 14 1 1 A 33 33 ILE CA C 33 63.138 64.504 -1.366 1
1 333 . 14 1 1 A 33 33 ILE CB C 33 37.587 37.270 0.317 1
1 337 . 14 1 1 A 33 33 ILE N N 33 116.394 115.972 0.422 1
1 338 . 14 1 1 A 34 34 HIS H H 34 7.360 7.446 -0.086 1
1 339 . 14 1 1 A 34 34 HIS HA H 34 4.882 4.366 0.516 1
1 344 . 14 1 1 A 34 34 HIS C C 34 175.699 176.315 -0.616 1
1 345 . 14 1 1 A 34 34 HIS CA C 34 55.093 58.932 -3.839 1
1 346 . 14 1 1 A 34 34 HIS CB C 34 28.461 30.363 -1.902 1
1 349 . 14 1 1 A 34 34 HIS N N 34 117.627 120.162 -2.535 1
1 350 . 14 1 1 A 35 35 THR H H 35 7.805 7.305 0.500 1
1 351 . 14 1 1 A 35 35 THR HA H 35 4.368 4.212 0.156 1
1 356 . 14 1 1 A 35 35 THR C C 35 175.388 173.961 1.427 1
1 357 . 14 1 1 A 35 35 THR CA C 35 62.548 62.563 -0.015 1
1 358 . 14 1 1 A 35 35 THR CB C 35 69.779 69.631 0.148 1
1 360 . 14 1 1 A 35 35 THR N N 35 112.000 111.570 0.430 1
1 361 . 14 1 1 A 36 36 GLY H H 36 8.335 8.418 -0.083 1
1 362 . 14 1 1 A 36 36 GLY HA2 H 36 4.049 4.310 -0.261 1
1 363 . 14 1 1 A 36 36 GLY HA3 H 36 4.049 4.315 -0.266 1
1 364 . 14 1 1 A 36 36 GLY C C 36 174.188 174.865 -0.677 1
1 365 . 14 1 1 A 36 36 GLY CA C 36 45.444 44.032 1.412 1
1 366 . 14 1 1 A 36 36 GLY N N 36 111.103 115.276 -4.173 1
1 367 . 14 1 1 A 37 37 SER H H 37 8.231 8.766 -0.535 1
1 368 . 14 1 1 A 37 37 SER HA H 37 4.521 4.540 -0.019 1
1 371 . 14 1 1 A 37 37 SER C C 37 174.567 174.617 -0.050 1
1 372 . 14 1 1 A 37 37 SER CA C 37 58.242 59.720 -1.478 1
1 373 . 14 1 1 A 37 37 SER CB C 37 64.018 64.494 -0.476 1
1 374 . 14 1 1 A 37 37 SER N N 37 115.371 114.378 0.993 1
1 375 . 14 1 1 A 38 38 GLY H H 38 8.310 7.700 0.610 1
1 376 . 14 1 1 A 38 38 GLY HA2 H 38 4.158 4.134 0.024 1
1 377 . 14 1 1 A 38 38 GLY HA3 H 38 4.094 4.135 -0.041 1
1 378 . 14 1 1 A 38 38 GLY C C 38 171.799 171.684 0.115 1
1 379 . 14 1 1 A 38 38 GLY CA C 38 44.671 45.092 -0.421 1
1 380 . 14 1 1 A 38 38 GLY N N 38 110.735 105.044 5.691 1
1 381 . 14 1 1 A 39 39 PRO HA H 39 4.476 4.688 -0.212 1
1 388 . 14 1 1 A 39 39 PRO C C 39 177.307 177.084 0.223 1
1 389 . 14 1 1 A 39 39 PRO CA C 39 63.131 62.214 0.917 1
1 390 . 14 1 1 A 39 39 PRO CB C 39 32.207 29.800 2.407 1
1 393 . 14 1 1 A 40 40 SER H H 40 8.520 8.524 -0.004 1
1 394 . 14 1 1 A 40 40 SER C C 40 174.611 173.821 0.790 1
1 395 . 14 1 1 A 40 40 SER CA C 40 58.516 60.267 -1.751 1
1 396 . 14 1 1 A 40 40 SER CB C 40 64.203 64.232 -0.029 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.943 4.037 -0.094 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.943 4.044 -0.101 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.561 174.805 -0.244 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.444 45.847 -0.403 1
1 5 . 15 1 1 A 8 8 GLY H H 8 8.198 8.831 -0.633 1
1 6 . 15 1 1 A 8 8 GLY HA2 H 8 3.922 3.784 0.138 1
1 7 . 15 1 1 A 8 8 GLY HA3 H 8 3.922 3.785 0.137 1
1 8 . 15 1 1 A 8 8 GLY C C 8 174.018 174.023 -0.005 1
1 9 . 15 1 1 A 8 8 GLY CA C 8 45.107 47.310 -2.203 1
1 10 . 15 1 1 A 8 8 GLY N N 8 108.415 113.038 -4.623 1
1 11 . 15 1 1 A 9 9 GLU H H 9 8.350 8.422 -0.072 1
1 12 . 15 1 1 A 9 9 GLU HA H 9 4.173 5.118 -0.945 1
1 17 . 15 1 1 A 9 9 GLU C C 9 176.393 175.374 1.019 1
1 18 . 15 1 1 A 9 9 GLU CA C 9 56.942 55.358 1.584 1
1 19 . 15 1 1 A 9 9 GLU CB C 9 30.240 31.114 -0.874 1
1 21 . 15 1 1 A 9 9 GLU N N 9 120.444 123.351 -2.907 1
1 22 . 15 1 1 A 10 10 LYS H H 10 8.332 8.334 -0.002 1
1 23 . 15 1 1 A 10 10 LYS HA H 10 4.543 4.943 -0.400 1
1 32 . 15 1 1 A 10 10 LYS C C 10 174.428 175.320 -0.892 1
1 33 . 15 1 1 A 10 10 LYS CA C 10 53.930 53.199 0.731 1
1 34 . 15 1 1 A 10 10 LYS CB C 10 33.487 34.748 -1.261 1
1 38 . 15 1 1 A 10 10 LYS N N 10 121.692 124.729 -3.037 1
1 39 . 15 1 1 A 11 11 PRO HA H 11 4.207 4.332 -0.125 1
1 46 . 15 1 1 A 11 11 PRO C C 11 176.513 175.850 0.663 1
1 47 . 15 1 1 A 11 11 PRO CA C 11 63.793 64.845 -1.052 1
1 48 . 15 1 1 A 11 11 PRO CB C 11 32.413 31.727 0.686 1
1 51 . 15 1 1 A 12 12 TYR H H 12 7.673 7.182 0.491 1
1 52 . 15 1 1 A 12 12 TYR HA H 12 4.713 4.775 -0.062 1
1 59 . 15 1 1 A 12 12 TYR C C 12 174.235 175.237 -1.002 1
1 60 . 15 1 1 A 12 12 TYR CA C 12 57.962 58.230 -0.268 1
1 61 . 15 1 1 A 12 12 TYR CB C 12 39.042 39.863 -0.821 1
1 66 . 15 1 1 A 12 12 TYR N N 12 117.472 118.242 -0.770 1
1 67 . 15 1 1 A 13 13 LYS H H 13 8.748 8.958 -0.210 1
1 68 . 15 1 1 A 13 13 LYS HA H 13 5.148 5.403 -0.255 1
1 77 . 15 1 1 A 13 13 LYS C C 13 174.652 174.913 -0.261 1
1 78 . 15 1 1 A 13 13 LYS CA C 13 54.661 54.609 0.052 1
1 79 . 15 1 1 A 13 13 LYS CB C 13 36.500 36.480 0.020 1
1 83 . 15 1 1 A 13 13 LYS N N 13 124.877 123.109 1.768 1
1 84 . 15 1 1 A 14 14 CYS H H 14 9.450 9.456 -0.006 1
1 85 . 15 1 1 A 14 14 CYS HA H 14 4.588 4.710 -0.122 1
1 88 . 15 1 1 A 14 14 CYS C C 14 177.307 175.986 1.321 1
1 89 . 15 1 1 A 14 14 CYS CA C 14 59.198 58.484 0.714 1
1 90 . 15 1 1 A 14 14 CYS CB C 14 29.918 28.266 1.652 1
1 91 . 15 1 1 A 14 14 CYS N N 14 128.056 124.712 3.344 1
1 92 . 15 1 1 A 15 15 GLU H H 15 9.541 9.072 0.469 1
1 93 . 15 1 1 A 15 15 GLU HA H 15 4.161 4.172 -0.011 1
1 98 . 15 1 1 A 15 15 GLU C C 15 176.855 178.713 -1.858 1
1 99 . 15 1 1 A 15 15 GLU CA C 15 58.462 59.371 -0.909 1
1 100 . 15 1 1 A 15 15 GLU CB C 15 29.612 29.572 0.040 1
1 102 . 15 1 1 A 15 15 GLU N N 15 131.947 127.954 3.993 1
1 103 . 15 1 1 A 16 16 THR H H 16 8.761 7.862 0.899 1
1 104 . 15 1 1 A 16 16 THR HA H 16 4.016 3.814 0.202 1
1 109 . 15 1 1 A 16 16 THR C C 16 174.867 175.652 -0.785 1
1 110 . 15 1 1 A 16 16 THR CA C 16 66.144 66.263 -0.119 1
1 111 . 15 1 1 A 16 16 THR CB C 16 68.802 68.465 0.337 1
1 113 . 15 1 1 A 16 16 THR N N 16 118.440 117.469 0.971 1
1 114 . 15 1 1 A 17 17 CYS H H 17 8.259 7.360 0.899 1
1 115 . 15 1 1 A 17 17 CYS HA H 17 5.198 4.703 0.495 1
1 118 . 15 1 1 A 17 17 CYS C C 17 176.245 175.694 0.551 1
1 119 . 15 1 1 A 17 17 CYS CA C 17 58.242 59.298 -1.056 1
1 120 . 15 1 1 A 17 17 CYS CB C 17 32.889 30.292 2.597 1
1 121 . 15 1 1 A 17 17 CYS N N 17 118.012 115.458 2.554 1
1 122 . 15 1 1 A 18 18 GLY H H 18 8.142 8.129 0.013 1
1 123 . 15 1 1 A 18 18 GLY HA2 H 18 3.685 4.072 -0.387 1
1 124 . 15 1 1 A 18 18 GLY HA3 H 18 4.275 4.082 0.193 1
1 125 . 15 1 1 A 18 18 GLY C C 18 173.304 174.757 -1.453 1
1 126 . 15 1 1 A 18 18 GLY CA C 18 46.166 45.213 0.953 1
1 127 . 15 1 1 A 18 18 GLY N N 18 113.635 109.852 3.783 1
1 128 . 15 1 1 A 19 19 ALA H H 19 8.257 7.647 0.610 1
1 129 . 15 1 1 A 19 19 ALA HA H 19 4.006 4.306 -0.300 1
1 133 . 15 1 1 A 19 19 ALA C C 19 175.055 175.902 -0.847 1
1 134 . 15 1 1 A 19 19 ALA CA C 19 53.537 51.932 1.605 1
1 135 . 15 1 1 A 19 19 ALA CB C 19 19.738 20.265 -0.527 1
1 136 . 15 1 1 A 19 19 ALA N N 19 125.690 123.999 1.691 1
1 137 . 15 1 1 A 20 20 ARG H H 20 7.669 7.984 -0.315 1
1 138 . 15 1 1 A 20 20 ARG HA H 20 5.257 5.408 -0.151 1
1 145 . 15 1 1 A 20 20 ARG C C 20 175.609 174.506 1.103 1
1 146 . 15 1 1 A 20 20 ARG CA C 20 54.238 54.272 -0.034 1
1 147 . 15 1 1 A 20 20 ARG CB C 20 34.243 34.603 -0.360 1
1 150 . 15 1 1 A 20 20 ARG N N 20 117.237 116.843 0.394 1
1 151 . 15 1 1 A 21 21 PHE H H 21 8.754 9.017 -0.263 1
1 152 . 15 1 1 A 21 21 PHE HA H 21 4.856 4.971 -0.115 1
1 160 . 15 1 1 A 21 21 PHE C C 21 175.009 175.491 -0.482 1
1 161 . 15 1 1 A 21 21 PHE CA C 21 57.344 56.741 0.603 1
1 162 . 15 1 1 A 21 21 PHE CB C 21 44.452 43.247 1.205 1
1 168 . 15 1 1 A 21 21 PHE N N 21 116.093 119.094 -3.001 1
1 169 . 15 1 1 A 22 22 VAL H H 22 9.432 8.828 0.604 1
1 170 . 15 1 1 A 22 22 VAL HA H 22 4.298 4.111 0.187 1
1 178 . 15 1 1 A 22 22 VAL C C 22 175.477 175.331 0.146 1
1 179 . 15 1 1 A 22 22 VAL CA C 22 64.474 64.077 0.397 1
1 180 . 15 1 1 A 22 22 VAL CB C 22 33.259 32.939 0.320 1
1 183 . 15 1 1 A 22 22 VAL N N 22 119.283 121.699 -2.416 1
1 184 . 15 1 1 A 23 23 GLN H H 23 7.243 7.545 -0.302 1
1 185 . 15 1 1 A 23 23 GLN HA H 23 4.810 4.689 0.121 1
1 192 . 15 1 1 A 23 23 GLN C C 23 176.882 175.009 1.873 1
1 193 . 15 1 1 A 23 23 GLN CA C 23 53.454 53.910 -0.456 1
1 194 . 15 1 1 A 23 23 GLN CB C 23 30.682 31.118 -0.436 1
1 196 . 15 1 1 A 23 23 GLN N N 23 113.909 118.304 -4.395 1
1 198 . 15 1 1 A 24 24 VAL H H 24 8.554 7.751 0.803 1
1 199 . 15 1 1 A 24 24 VAL HA H 24 2.960 2.989 -0.029 1
1 207 . 15 1 1 A 24 24 VAL C C 24 177.337 177.209 0.128 1
1 208 . 15 1 1 A 24 24 VAL CA C 24 65.388 64.387 1.001 1
1 209 . 15 1 1 A 24 24 VAL CB C 24 30.927 31.235 -0.308 1
1 212 . 15 1 1 A 24 24 VAL N N 24 126.915 123.863 3.052 1
1 213 . 15 1 1 A 25 25 ALA H H 25 8.531 8.036 0.495 1
1 214 . 15 1 1 A 25 25 ALA HA H 25 3.933 3.947 -0.014 1
1 218 . 15 1 1 A 25 25 ALA C C 25 180.524 179.442 1.082 1
1 219 . 15 1 1 A 25 25 ALA CA C 25 55.073 54.895 0.178 1
1 220 . 15 1 1 A 25 25 ALA CB C 25 18.311 18.487 -0.176 1
1 221 . 15 1 1 A 25 25 ALA N N 25 122.114 122.540 -0.426 1
1 222 . 15 1 1 A 26 26 HIS H H 26 6.892 7.326 -0.434 1
1 223 . 15 1 1 A 26 26 HIS HA H 26 4.436 4.343 0.093 1
1 228 . 15 1 1 A 26 26 HIS C C 26 178.267 177.387 0.880 1
1 229 . 15 1 1 A 26 26 HIS CA C 26 56.426 59.331 -2.905 1
1 230 . 15 1 1 A 26 26 HIS CB C 26 31.750 30.758 0.992 1
1 233 . 15 1 1 A 26 26 HIS N N 26 115.625 115.248 0.377 1
1 234 . 15 1 1 A 27 27 LEU H H 27 6.854 7.491 -0.637 1
1 235 . 15 1 1 A 27 27 LEU HA H 27 3.189 2.288 0.901 1
1 245 . 15 1 1 A 27 27 LEU C C 27 177.246 178.125 -0.879 1
1 246 . 15 1 1 A 27 27 LEU CA C 27 57.874 57.470 0.404 1
1 247 . 15 1 1 A 27 27 LEU CB C 27 40.685 41.580 -0.895 1
1 251 . 15 1 1 A 27 27 LEU N N 27 122.027 120.512 1.515 1
1 252 . 15 1 1 A 28 28 ARG H H 28 8.252 8.733 -0.481 1
1 253 . 15 1 1 A 28 28 ARG HA H 28 3.867 4.075 -0.208 1
1 260 . 15 1 1 A 28 28 ARG C C 28 178.248 177.440 0.808 1
1 261 . 15 1 1 A 28 28 ARG CA C 28 59.410 57.936 1.474 1
1 262 . 15 1 1 A 28 28 ARG CB C 28 29.762 29.248 0.514 1
1 265 . 15 1 1 A 28 28 ARG N N 28 117.010 117.801 -0.791 1
1 266 . 15 1 1 A 29 29 ALA H H 29 7.223 7.653 -0.430 1
1 267 . 15 1 1 A 29 29 ALA HA H 29 4.146 4.192 -0.046 1
1 271 . 15 1 1 A 29 29 ALA C C 29 179.428 178.991 0.437 1
1 272 . 15 1 1 A 29 29 ALA CA C 29 54.170 53.387 0.783 1
1 273 . 15 1 1 A 29 29 ALA CB C 29 18.345 19.081 -0.736 1
1 274 . 15 1 1 A 29 29 ALA N N 29 118.170 120.923 -2.753 1
1 275 . 15 1 1 A 30 30 HIS H H 30 7.527 8.169 -0.642 1
1 276 . 15 1 1 A 30 30 HIS HA H 30 4.166 4.290 -0.124 1
1 281 . 15 1 1 A 30 30 HIS C C 30 176.978 177.072 -0.094 1
1 282 . 15 1 1 A 30 30 HIS CA C 30 59.490 58.982 0.508 1
1 283 . 15 1 1 A 30 30 HIS CB C 30 28.889 30.409 -1.520 1
1 286 . 15 1 1 A 30 30 HIS N N 30 118.012 118.814 -0.802 1
1 287 . 15 1 1 A 31 31 VAL H H 31 8.251 8.451 -0.200 1
1 288 . 15 1 1 A 31 31 VAL HA H 31 3.659 3.907 -0.248 1
1 296 . 15 1 1 A 31 31 VAL C C 31 177.594 177.800 -0.206 1
1 297 . 15 1 1 A 31 31 VAL CA C 31 65.958 65.576 0.382 1
1 298 . 15 1 1 A 31 31 VAL CB C 31 31.636 31.484 0.152 1
1 301 . 15 1 1 A 31 31 VAL N N 31 112.141 117.233 -5.092 1
1 302 . 15 1 1 A 32 32 LEU H H 32 6.906 7.891 -0.985 1
1 303 . 15 1 1 A 32 32 LEU HA H 32 4.135 4.030 0.105 1
1 313 . 15 1 1 A 32 32 LEU C C 32 179.626 179.277 0.349 1
1 314 . 15 1 1 A 32 32 LEU CA C 32 56.826 57.307 -0.481 1
1 315 . 15 1 1 A 32 32 LEU CB C 32 41.476 41.201 0.275 1
1 319 . 15 1 1 A 32 32 LEU N N 32 119.239 121.667 -2.428 1
1 320 . 15 1 1 A 33 33 ILE H H 33 7.880 7.578 0.302 1
1 321 . 15 1 1 A 33 33 ILE HA H 33 3.971 3.667 0.304 1
1 331 . 15 1 1 A 33 33 ILE C C 33 177.546 177.930 -0.384 1
1 332 . 15 1 1 A 33 33 ILE CA C 33 63.138 64.516 -1.378 1
1 333 . 15 1 1 A 33 33 ILE CB C 33 37.587 37.252 0.335 1
1 337 . 15 1 1 A 33 33 ILE N N 33 116.394 115.559 0.835 1
1 338 . 15 1 1 A 34 34 HIS H H 34 7.360 7.586 -0.226 1
1 339 . 15 1 1 A 34 34 HIS HA H 34 4.882 4.348 0.534 1
1 344 . 15 1 1 A 34 34 HIS C C 34 175.699 176.351 -0.652 1
1 345 . 15 1 1 A 34 34 HIS CA C 34 55.093 59.751 -4.658 1
1 346 . 15 1 1 A 34 34 HIS CB C 34 28.461 30.532 -2.071 1
1 349 . 15 1 1 A 34 34 HIS N N 34 117.627 120.494 -2.867 1
1 350 . 15 1 1 A 35 35 THR H H 35 7.805 7.471 0.334 1
1 351 . 15 1 1 A 35 35 THR HA H 35 4.368 4.300 0.068 1
1 356 . 15 1 1 A 35 35 THR C C 35 175.388 175.851 -0.463 1
1 357 . 15 1 1 A 35 35 THR CA C 35 62.548 62.750 -0.202 1
1 358 . 15 1 1 A 35 35 THR CB C 35 69.779 68.542 1.237 1
1 360 . 15 1 1 A 35 35 THR N N 35 112.000 113.206 -1.206 1
1 361 . 15 1 1 A 36 36 GLY H H 36 8.335 8.420 -0.085 1
1 362 . 15 1 1 A 36 36 GLY HA2 H 36 4.049 3.712 0.337 1
1 363 . 15 1 1 A 36 36 GLY HA3 H 36 4.049 3.715 0.334 1
1 364 . 15 1 1 A 36 36 GLY C C 36 174.188 175.454 -1.266 1
1 365 . 15 1 1 A 36 36 GLY CA C 36 45.444 47.378 -1.934 1
1 366 . 15 1 1 A 36 36 GLY N N 36 111.103 111.643 -0.540 1
1 367 . 15 1 1 A 37 37 SER H H 37 8.231 7.623 0.608 1
1 368 . 15 1 1 A 37 37 SER HA H 37 4.521 4.680 -0.159 1
1 371 . 15 1 1 A 37 37 SER C C 37 174.567 174.604 -0.037 1
1 372 . 15 1 1 A 37 37 SER CA C 37 58.242 57.365 0.877 1
1 373 . 15 1 1 A 37 37 SER CB C 37 64.018 63.087 0.931 1
1 374 . 15 1 1 A 37 37 SER N N 37 115.371 116.480 -1.109 1
1 375 . 15 1 1 A 38 38 GLY H H 38 8.310 8.140 0.170 1
1 376 . 15 1 1 A 38 38 GLY HA2 H 38 4.158 4.082 0.076 1
1 377 . 15 1 1 A 38 38 GLY HA3 H 38 4.094 4.084 0.010 1
1 378 . 15 1 1 A 38 38 GLY C C 38 171.799 173.300 -1.501 1
1 379 . 15 1 1 A 38 38 GLY CA C 38 44.671 44.836 -0.165 1
1 380 . 15 1 1 A 38 38 GLY N N 38 110.735 113.703 -2.968 1
1 381 . 15 1 1 A 39 39 PRO HA H 39 4.476 4.630 -0.154 1
1 388 . 15 1 1 A 39 39 PRO C C 39 177.307 177.651 -0.344 1
1 389 . 15 1 1 A 39 39 PRO CA C 39 63.131 62.950 0.181 1
1 390 . 15 1 1 A 39 39 PRO CB C 39 32.207 31.817 0.390 1
1 393 . 15 1 1 A 40 40 SER H H 40 8.520 8.744 -0.224 1
1 394 . 15 1 1 A 40 40 SER C C 40 174.611 175.240 -0.629 1
1 395 . 15 1 1 A 40 40 SER CA C 40 58.516 61.184 -2.668 1
1 396 . 15 1 1 A 40 40 SER CB C 40 64.203 62.953 1.250 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.943 4.102 -0.159 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.943 4.118 -0.175 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.561 172.456 2.105 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.444 45.329 0.115 1
1 5 . 16 1 1 A 8 8 GLY H H 8 8.198 8.261 -0.063 1
1 6 . 16 1 1 A 8 8 GLY HA2 H 8 3.922 4.049 -0.127 1
1 7 . 16 1 1 A 8 8 GLY HA3 H 8 3.922 4.053 -0.131 1
1 8 . 16 1 1 A 8 8 GLY C C 8 174.018 173.438 0.580 1
1 9 . 16 1 1 A 8 8 GLY CA C 8 45.107 46.096 -0.989 1
1 10 . 16 1 1 A 8 8 GLY N N 8 108.415 109.799 -1.384 1
1 11 . 16 1 1 A 9 9 GLU H H 9 8.350 8.060 0.290 1
1 12 . 16 1 1 A 9 9 GLU HA H 9 4.173 4.723 -0.550 1
1 17 . 16 1 1 A 9 9 GLU C C 9 176.393 175.413 0.980 1
1 18 . 16 1 1 A 9 9 GLU CA C 9 56.942 55.590 1.352 1
1 19 . 16 1 1 A 9 9 GLU CB C 9 30.240 30.966 -0.726 1
1 21 . 16 1 1 A 9 9 GLU N N 9 120.444 116.887 3.557 1
1 22 . 16 1 1 A 10 10 LYS H H 10 8.332 8.338 -0.006 1
1 23 . 16 1 1 A 10 10 LYS HA H 10 4.543 4.909 -0.366 1
1 32 . 16 1 1 A 10 10 LYS C C 10 174.428 175.456 -1.028 1
1 33 . 16 1 1 A 10 10 LYS CA C 10 53.930 52.969 0.961 1
1 34 . 16 1 1 A 10 10 LYS CB C 10 33.487 35.047 -1.560 1
1 38 . 16 1 1 A 10 10 LYS N N 10 121.692 124.880 -3.188 1
1 39 . 16 1 1 A 11 11 PRO HA H 11 4.207 4.319 -0.112 1
1 46 . 16 1 1 A 11 11 PRO C C 11 176.513 175.844 0.669 1
1 47 . 16 1 1 A 11 11 PRO CA C 11 63.793 64.778 -0.985 1
1 48 . 16 1 1 A 11 11 PRO CB C 11 32.413 31.714 0.699 1
1 51 . 16 1 1 A 12 12 TYR H H 12 7.673 7.170 0.503 1
1 52 . 16 1 1 A 12 12 TYR HA H 12 4.713 4.769 -0.056 1
1 59 . 16 1 1 A 12 12 TYR C C 12 174.235 175.236 -1.001 1
1 60 . 16 1 1 A 12 12 TYR CA C 12 57.962 58.404 -0.442 1
1 61 . 16 1 1 A 12 12 TYR CB C 12 39.042 39.985 -0.943 1
1 66 . 16 1 1 A 12 12 TYR N N 12 117.472 118.246 -0.774 1
1 67 . 16 1 1 A 13 13 LYS H H 13 8.748 8.924 -0.176 1
1 68 . 16 1 1 A 13 13 LYS HA H 13 5.148 5.399 -0.251 1
1 77 . 16 1 1 A 13 13 LYS C C 13 174.652 174.916 -0.264 1
1 78 . 16 1 1 A 13 13 LYS CA C 13 54.661 54.701 -0.040 1
1 79 . 16 1 1 A 13 13 LYS CB C 13 36.500 36.317 0.183 1
1 83 . 16 1 1 A 13 13 LYS N N 13 124.877 122.942 1.935 1
1 84 . 16 1 1 A 14 14 CYS H H 14 9.450 9.481 -0.031 1
1 85 . 16 1 1 A 14 14 CYS HA H 14 4.588 4.709 -0.121 1
1 88 . 16 1 1 A 14 14 CYS C C 14 177.307 175.923 1.384 1
1 89 . 16 1 1 A 14 14 CYS CA C 14 59.198 58.683 0.515 1
1 90 . 16 1 1 A 14 14 CYS CB C 14 29.918 28.380 1.538 1
1 91 . 16 1 1 A 14 14 CYS N N 14 128.056 124.992 3.064 1
1 92 . 16 1 1 A 15 15 GLU H H 15 9.541 9.014 0.527 1
1 93 . 16 1 1 A 15 15 GLU HA H 15 4.161 4.170 -0.009 1
1 98 . 16 1 1 A 15 15 GLU C C 15 176.855 178.711 -1.856 1
1 99 . 16 1 1 A 15 15 GLU CA C 15 58.462 59.370 -0.908 1
1 100 . 16 1 1 A 15 15 GLU CB C 15 29.612 29.494 0.118 1
1 102 . 16 1 1 A 15 15 GLU N N 15 131.947 127.983 3.964 1
1 103 . 16 1 1 A 16 16 THR H H 16 8.761 7.751 1.010 1
1 104 . 16 1 1 A 16 16 THR HA H 16 4.016 3.847 0.169 1
1 109 . 16 1 1 A 16 16 THR C C 16 174.867 175.497 -0.630 1
1 110 . 16 1 1 A 16 16 THR CA C 16 66.144 66.262 -0.118 1
1 111 . 16 1 1 A 16 16 THR CB C 16 68.802 68.423 0.379 1
1 113 . 16 1 1 A 16 16 THR N N 16 118.440 117.372 1.068 1
1 114 . 16 1 1 A 17 17 CYS H H 17 8.259 7.298 0.961 1
1 115 . 16 1 1 A 17 17 CYS HA H 17 5.198 4.676 0.522 1
1 118 . 16 1 1 A 17 17 CYS C C 17 176.245 175.722 0.523 1
1 119 . 16 1 1 A 17 17 CYS CA C 17 58.242 59.283 -1.041 1
1 120 . 16 1 1 A 17 17 CYS CB C 17 32.889 30.159 2.730 1
1 121 . 16 1 1 A 17 17 CYS N N 17 118.012 115.658 2.354 1
1 122 . 16 1 1 A 18 18 GLY H H 18 8.142 8.206 -0.064 1
1 123 . 16 1 1 A 18 18 GLY HA2 H 18 3.685 4.066 -0.381 1
1 124 . 16 1 1 A 18 18 GLY HA3 H 18 4.275 4.077 0.198 1
1 125 . 16 1 1 A 18 18 GLY C C 18 173.304 174.778 -1.474 1
1 126 . 16 1 1 A 18 18 GLY CA C 18 46.166 45.229 0.937 1
1 127 . 16 1 1 A 18 18 GLY N N 18 113.635 109.880 3.755 1
1 128 . 16 1 1 A 19 19 ALA H H 19 8.257 7.634 0.623 1
1 129 . 16 1 1 A 19 19 ALA HA H 19 4.006 4.308 -0.302 1
1 133 . 16 1 1 A 19 19 ALA C C 19 175.055 175.937 -0.882 1
1 134 . 16 1 1 A 19 19 ALA CA C 19 53.537 51.897 1.640 1
1 135 . 16 1 1 A 19 19 ALA CB C 19 19.738 20.342 -0.604 1
1 136 . 16 1 1 A 19 19 ALA N N 19 125.690 124.011 1.679 1
1 137 . 16 1 1 A 20 20 ARG H H 20 7.669 7.998 -0.329 1
1 138 . 16 1 1 A 20 20 ARG HA H 20 5.257 5.414 -0.157 1
1 145 . 16 1 1 A 20 20 ARG C C 20 175.609 174.513 1.096 1
1 146 . 16 1 1 A 20 20 ARG CA C 20 54.238 54.238 0.000 1
1 147 . 16 1 1 A 20 20 ARG CB C 20 34.243 34.645 -0.402 1
1 150 . 16 1 1 A 20 20 ARG N N 20 117.237 116.742 0.495 1
1 151 . 16 1 1 A 21 21 PHE H H 21 8.754 8.979 -0.225 1
1 152 . 16 1 1 A 21 21 PHE HA H 21 4.856 4.969 -0.113 1
1 160 . 16 1 1 A 21 21 PHE C C 21 175.009 175.492 -0.483 1
1 161 . 16 1 1 A 21 21 PHE CA C 21 57.344 56.805 0.539 1
1 162 . 16 1 1 A 21 21 PHE CB C 21 44.452 43.235 1.217 1
1 168 . 16 1 1 A 21 21 PHE N N 21 116.093 119.095 -3.002 1
1 169 . 16 1 1 A 22 22 VAL H H 22 9.432 8.794 0.638 1
1 170 . 16 1 1 A 22 22 VAL HA H 22 4.298 4.111 0.187 1
1 178 . 16 1 1 A 22 22 VAL C C 22 175.477 175.325 0.152 1
1 179 . 16 1 1 A 22 22 VAL CA C 22 64.474 64.121 0.353 1
1 180 . 16 1 1 A 22 22 VAL CB C 22 33.259 32.771 0.488 1
1 183 . 16 1 1 A 22 22 VAL N N 22 119.283 121.630 -2.347 1
1 184 . 16 1 1 A 23 23 GLN H H 23 7.243 7.526 -0.283 1
1 185 . 16 1 1 A 23 23 GLN HA H 23 4.810 4.682 0.128 1
1 192 . 16 1 1 A 23 23 GLN C C 23 176.882 174.984 1.898 1
1 193 . 16 1 1 A 23 23 GLN CA C 23 53.454 53.764 -0.310 1
1 194 . 16 1 1 A 23 23 GLN CB C 23 30.682 30.930 -0.248 1
1 196 . 16 1 1 A 23 23 GLN N N 23 113.909 118.227 -4.318 1
1 198 . 16 1 1 A 24 24 VAL H H 24 8.554 7.755 0.799 1
1 199 . 16 1 1 A 24 24 VAL HA H 24 2.960 2.993 -0.033 1
1 207 . 16 1 1 A 24 24 VAL C C 24 177.337 177.129 0.208 1
1 208 . 16 1 1 A 24 24 VAL CA C 24 65.388 64.456 0.932 1
1 209 . 16 1 1 A 24 24 VAL CB C 24 30.927 31.205 -0.278 1
1 212 . 16 1 1 A 24 24 VAL N N 24 126.915 124.089 2.826 1
1 213 . 16 1 1 A 25 25 ALA H H 25 8.531 8.055 0.476 1
1 214 . 16 1 1 A 25 25 ALA HA H 25 3.933 3.956 -0.023 1
1 218 . 16 1 1 A 25 25 ALA C C 25 180.524 179.497 1.027 1
1 219 . 16 1 1 A 25 25 ALA CA C 25 55.073 54.967 0.106 1
1 220 . 16 1 1 A 25 25 ALA CB C 25 18.311 18.519 -0.208 1
1 221 . 16 1 1 A 25 25 ALA N N 25 122.114 122.542 -0.428 1
1 222 . 16 1 1 A 26 26 HIS H H 26 6.892 7.446 -0.554 1
1 223 . 16 1 1 A 26 26 HIS HA H 26 4.436 4.302 0.134 1
1 228 . 16 1 1 A 26 26 HIS C C 26 178.267 177.382 0.885 1
1 229 . 16 1 1 A 26 26 HIS CA C 26 56.426 59.414 -2.988 1
1 230 . 16 1 1 A 26 26 HIS CB C 26 31.750 30.633 1.117 1
1 233 . 16 1 1 A 26 26 HIS N N 26 115.625 115.061 0.564 1
1 234 . 16 1 1 A 27 27 LEU H H 27 6.854 7.476 -0.622 1
1 235 . 16 1 1 A 27 27 LEU HA H 27 3.189 2.281 0.908 1
1 245 . 16 1 1 A 27 27 LEU C C 27 177.246 178.177 -0.931 1
1 246 . 16 1 1 A 27 27 LEU CA C 27 57.874 57.479 0.395 1
1 247 . 16 1 1 A 27 27 LEU CB C 27 40.685 41.419 -0.734 1
1 251 . 16 1 1 A 27 27 LEU N N 27 122.027 120.377 1.650 1
1 252 . 16 1 1 A 28 28 ARG H H 28 8.252 8.728 -0.476 1
1 253 . 16 1 1 A 28 28 ARG HA H 28 3.867 4.057 -0.190 1
1 260 . 16 1 1 A 28 28 ARG C C 28 178.248 177.443 0.805 1
1 261 . 16 1 1 A 28 28 ARG CA C 28 59.410 57.954 1.456 1
1 262 . 16 1 1 A 28 28 ARG CB C 28 29.762 29.274 0.488 1
1 265 . 16 1 1 A 28 28 ARG N N 28 117.010 117.794 -0.784 1
1 266 . 16 1 1 A 29 29 ALA H H 29 7.223 7.671 -0.448 1
1 267 . 16 1 1 A 29 29 ALA HA H 29 4.146 4.191 -0.045 1
1 271 . 16 1 1 A 29 29 ALA C C 29 179.428 179.002 0.426 1
1 272 . 16 1 1 A 29 29 ALA CA C 29 54.170 53.400 0.770 1
1 273 . 16 1 1 A 29 29 ALA CB C 29 18.345 19.059 -0.714 1
1 274 . 16 1 1 A 29 29 ALA N N 29 118.170 120.830 -2.660 1
1 275 . 16 1 1 A 30 30 HIS H H 30 7.527 8.173 -0.646 1
1 276 . 16 1 1 A 30 30 HIS HA H 30 4.166 4.290 -0.124 1
1 281 . 16 1 1 A 30 30 HIS C C 30 176.978 177.059 -0.081 1
1 282 . 16 1 1 A 30 30 HIS CA C 30 59.490 58.776 0.714 1
1 283 . 16 1 1 A 30 30 HIS CB C 30 28.889 30.397 -1.508 1
1 286 . 16 1 1 A 30 30 HIS N N 30 118.012 118.810 -0.798 1
1 287 . 16 1 1 A 31 31 VAL H H 31 8.251 8.465 -0.214 1
1 288 . 16 1 1 A 31 31 VAL HA H 31 3.659 3.922 -0.263 1
1 296 . 16 1 1 A 31 31 VAL C C 31 177.594 177.792 -0.198 1
1 297 . 16 1 1 A 31 31 VAL CA C 31 65.958 65.573 0.385 1
1 298 . 16 1 1 A 31 31 VAL CB C 31 31.636 31.484 0.152 1
1 301 . 16 1 1 A 31 31 VAL N N 31 112.141 117.245 -5.104 1
1 302 . 16 1 1 A 32 32 LEU H H 32 6.906 7.889 -0.983 1
1 303 . 16 1 1 A 32 32 LEU HA H 32 4.135 4.029 0.106 1
1 313 . 16 1 1 A 32 32 LEU C C 32 179.626 179.267 0.359 1
1 314 . 16 1 1 A 32 32 LEU CA C 32 56.826 57.235 -0.409 1
1 315 . 16 1 1 A 32 32 LEU CB C 32 41.476 41.270 0.206 1
1 319 . 16 1 1 A 32 32 LEU N N 32 119.239 121.678 -2.439 1
1 320 . 16 1 1 A 33 33 ILE H H 33 7.880 7.594 0.286 1
1 321 . 16 1 1 A 33 33 ILE HA H 33 3.971 3.669 0.302 1
1 331 . 16 1 1 A 33 33 ILE C C 33 177.546 177.683 -0.137 1
1 332 . 16 1 1 A 33 33 ILE CA C 33 63.138 64.490 -1.352 1
1 333 . 16 1 1 A 33 33 ILE CB C 33 37.587 37.279 0.308 1
1 337 . 16 1 1 A 33 33 ILE N N 33 116.394 115.708 0.686 1
1 338 . 16 1 1 A 34 34 HIS H H 34 7.360 7.435 -0.075 1
1 339 . 16 1 1 A 34 34 HIS HA H 34 4.882 4.385 0.497 1
1 344 . 16 1 1 A 34 34 HIS C C 34 175.699 176.413 -0.714 1
1 345 . 16 1 1 A 34 34 HIS CA C 34 55.093 58.928 -3.835 1
1 346 . 16 1 1 A 34 34 HIS CB C 34 28.461 30.241 -1.780 1
1 349 . 16 1 1 A 34 34 HIS N N 34 117.627 120.167 -2.540 1
1 350 . 16 1 1 A 35 35 THR H H 35 7.805 7.648 0.157 1
1 351 . 16 1 1 A 35 35 THR HA H 35 4.368 3.987 0.381 1
1 356 . 16 1 1 A 35 35 THR C C 35 175.388 175.068 0.320 1
1 357 . 16 1 1 A 35 35 THR CA C 35 62.548 63.634 -1.086 1
1 358 . 16 1 1 A 35 35 THR CB C 35 69.779 68.950 0.829 1
1 360 . 16 1 1 A 35 35 THR N N 35 112.000 112.939 -0.939 1
1 361 . 16 1 1 A 36 36 GLY H H 36 8.335 8.438 -0.103 1
1 362 . 16 1 1 A 36 36 GLY HA2 H 36 4.049 4.111 -0.062 1
1 363 . 16 1 1 A 36 36 GLY HA3 H 36 4.049 4.117 -0.068 1
1 364 . 16 1 1 A 36 36 GLY C C 36 174.188 174.382 -0.194 1
1 365 . 16 1 1 A 36 36 GLY CA C 36 45.444 45.190 0.254 1
1 366 . 16 1 1 A 36 36 GLY N N 36 111.103 115.541 -4.438 1
1 367 . 16 1 1 A 37 37 SER H H 37 8.231 8.630 -0.399 1
1 368 . 16 1 1 A 37 37 SER HA H 37 4.521 4.580 -0.059 1
1 371 . 16 1 1 A 37 37 SER C C 37 174.567 173.896 0.671 1
1 372 . 16 1 1 A 37 37 SER CA C 37 58.242 59.704 -1.462 1
1 373 . 16 1 1 A 37 37 SER CB C 37 64.018 64.309 -0.291 1
1 374 . 16 1 1 A 37 37 SER N N 37 115.371 121.769 -6.398 1
1 375 . 16 1 1 A 38 38 GLY H H 38 8.310 7.342 0.968 1
1 376 . 16 1 1 A 38 38 GLY HA2 H 38 4.158 4.044 0.114 1
1 377 . 16 1 1 A 38 38 GLY HA3 H 38 4.094 4.050 0.044 1
1 378 . 16 1 1 A 38 38 GLY C C 38 171.799 174.100 -2.301 1
1 379 . 16 1 1 A 38 38 GLY CA C 38 44.671 45.802 -1.131 1
1 380 . 16 1 1 A 38 38 GLY N N 38 110.735 105.712 5.023 1
1 381 . 16 1 1 A 39 39 PRO HA H 39 4.476 4.291 0.185 1
1 388 . 16 1 1 A 39 39 PRO C C 39 177.307 177.295 0.012 1
1 389 . 16 1 1 A 39 39 PRO CA C 39 63.131 64.872 -1.741 1
1 390 . 16 1 1 A 39 39 PRO CB C 39 32.207 31.814 0.393 1
1 393 . 16 1 1 A 40 40 SER H H 40 8.520 8.105 0.415 1
1 394 . 16 1 1 A 40 40 SER C C 40 174.611 173.628 0.983 1
1 395 . 16 1 1 A 40 40 SER CA C 40 58.516 59.231 -0.715 1
1 396 . 16 1 1 A 40 40 SER CB C 40 64.203 61.103 3.100 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.943 3.892 0.051 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.943 3.894 0.049 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.561 174.947 -0.386 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.444 47.123 -1.679 1
1 5 . 17 1 1 A 8 8 GLY H H 8 8.198 8.165 0.033 1
1 6 . 17 1 1 A 8 8 GLY HA2 H 8 3.922 4.049 -0.127 1
1 7 . 17 1 1 A 8 8 GLY HA3 H 8 3.922 4.056 -0.134 1
1 8 . 17 1 1 A 8 8 GLY C C 8 174.018 172.868 1.150 1
1 9 . 17 1 1 A 8 8 GLY CA C 8 45.107 44.517 0.590 1
1 10 . 17 1 1 A 8 8 GLY N N 8 108.415 107.239 1.176 1
1 11 . 17 1 1 A 9 9 GLU H H 9 8.350 8.872 -0.522 1
1 12 . 17 1 1 A 9 9 GLU HA H 9 4.173 5.186 -1.013 1
1 17 . 17 1 1 A 9 9 GLU C C 9 176.393 175.441 0.952 1
1 18 . 17 1 1 A 9 9 GLU CA C 9 56.942 55.297 1.645 1
1 19 . 17 1 1 A 9 9 GLU CB C 9 30.240 31.094 -0.854 1
1 21 . 17 1 1 A 9 9 GLU N N 9 120.444 117.203 3.241 1
1 22 . 17 1 1 A 10 10 LYS H H 10 8.332 8.338 -0.006 1
1 23 . 17 1 1 A 10 10 LYS HA H 10 4.543 4.933 -0.390 1
1 32 . 17 1 1 A 10 10 LYS C C 10 174.428 175.313 -0.885 1
1 33 . 17 1 1 A 10 10 LYS CA C 10 53.930 53.071 0.859 1
1 34 . 17 1 1 A 10 10 LYS CB C 10 33.487 34.979 -1.492 1
1 38 . 17 1 1 A 10 10 LYS N N 10 121.692 124.886 -3.194 1
1 39 . 17 1 1 A 11 11 PRO HA H 11 4.207 4.318 -0.111 1
1 46 . 17 1 1 A 11 11 PRO C C 11 176.513 175.846 0.667 1
1 47 . 17 1 1 A 11 11 PRO CA C 11 63.793 64.780 -0.987 1
1 48 . 17 1 1 A 11 11 PRO CB C 11 32.413 31.710 0.703 1
1 51 . 17 1 1 A 12 12 TYR H H 12 7.673 7.176 0.497 1
1 52 . 17 1 1 A 12 12 TYR HA H 12 4.713 4.735 -0.022 1
1 59 . 17 1 1 A 12 12 TYR C C 12 174.235 175.292 -1.057 1
1 60 . 17 1 1 A 12 12 TYR CA C 12 57.962 58.491 -0.529 1
1 61 . 17 1 1 A 12 12 TYR CB C 12 39.042 39.987 -0.945 1
1 66 . 17 1 1 A 12 12 TYR N N 12 117.472 118.247 -0.775 1
1 67 . 17 1 1 A 13 13 LYS H H 13 8.748 8.925 -0.177 1
1 68 . 17 1 1 A 13 13 LYS HA H 13 5.148 5.390 -0.242 1
1 77 . 17 1 1 A 13 13 LYS C C 13 174.652 174.915 -0.263 1
1 78 . 17 1 1 A 13 13 LYS CA C 13 54.661 54.678 -0.017 1
1 79 . 17 1 1 A 13 13 LYS CB C 13 36.500 36.314 0.186 1
1 83 . 17 1 1 A 13 13 LYS N N 13 124.877 122.945 1.932 1
1 84 . 17 1 1 A 14 14 CYS H H 14 9.450 9.436 0.014 1
1 85 . 17 1 1 A 14 14 CYS HA H 14 4.588 4.702 -0.114 1
1 88 . 17 1 1 A 14 14 CYS C C 14 177.307 175.972 1.335 1
1 89 . 17 1 1 A 14 14 CYS CA C 14 59.198 58.607 0.591 1
1 90 . 17 1 1 A 14 14 CYS CB C 14 29.918 28.298 1.620 1
1 91 . 17 1 1 A 14 14 CYS N N 14 128.056 124.978 3.078 1
1 92 . 17 1 1 A 15 15 GLU H H 15 9.541 9.032 0.509 1
1 93 . 17 1 1 A 15 15 GLU HA H 15 4.161 4.171 -0.010 1
1 98 . 17 1 1 A 15 15 GLU C C 15 176.855 178.704 -1.849 1
1 99 . 17 1 1 A 15 15 GLU CA C 15 58.462 59.410 -0.948 1
1 100 . 17 1 1 A 15 15 GLU CB C 15 29.612 29.505 0.107 1
1 102 . 17 1 1 A 15 15 GLU N N 15 131.947 128.017 3.930 1
1 103 . 17 1 1 A 16 16 THR H H 16 8.761 7.749 1.012 1
1 104 . 17 1 1 A 16 16 THR HA H 16 4.016 3.874 0.142 1
1 109 . 17 1 1 A 16 16 THR C C 16 174.867 175.649 -0.782 1
1 110 . 17 1 1 A 16 16 THR CA C 16 66.144 66.184 -0.040 1
1 111 . 17 1 1 A 16 16 THR CB C 16 68.802 68.468 0.334 1
1 113 . 17 1 1 A 16 16 THR N N 16 118.440 117.530 0.910 1
1 114 . 17 1 1 A 17 17 CYS H H 17 8.259 7.336 0.923 1
1 115 . 17 1 1 A 17 17 CYS HA H 17 5.198 4.662 0.536 1
1 118 . 17 1 1 A 17 17 CYS C C 17 176.245 175.796 0.449 1
1 119 . 17 1 1 A 17 17 CYS CA C 17 58.242 59.285 -1.043 1
1 120 . 17 1 1 A 17 17 CYS CB C 17 32.889 30.260 2.629 1
1 121 . 17 1 1 A 17 17 CYS N N 17 118.012 115.438 2.574 1
1 122 . 17 1 1 A 18 18 GLY H H 18 8.142 8.155 -0.013 1
1 123 . 17 1 1 A 18 18 GLY HA2 H 18 3.685 4.067 -0.382 1
1 124 . 17 1 1 A 18 18 GLY HA3 H 18 4.275 4.078 0.197 1
1 125 . 17 1 1 A 18 18 GLY C C 18 173.304 174.783 -1.479 1
1 126 . 17 1 1 A 18 18 GLY CA C 18 46.166 45.228 0.938 1
1 127 . 17 1 1 A 18 18 GLY N N 18 113.635 109.865 3.770 1
1 128 . 17 1 1 A 19 19 ALA H H 19 8.257 7.630 0.627 1
1 129 . 17 1 1 A 19 19 ALA HA H 19 4.006 4.322 -0.316 1
1 133 . 17 1 1 A 19 19 ALA C C 19 175.055 175.870 -0.815 1
1 134 . 17 1 1 A 19 19 ALA CA C 19 53.537 51.861 1.676 1
1 135 . 17 1 1 A 19 19 ALA CB C 19 19.738 20.395 -0.657 1
1 136 . 17 1 1 A 19 19 ALA N N 19 125.690 124.001 1.689 1
1 137 . 17 1 1 A 20 20 ARG H H 20 7.669 7.977 -0.308 1
1 138 . 17 1 1 A 20 20 ARG HA H 20 5.257 5.412 -0.155 1
1 145 . 17 1 1 A 20 20 ARG C C 20 175.609 174.505 1.104 1
1 146 . 17 1 1 A 20 20 ARG CA C 20 54.238 54.275 -0.037 1
1 147 . 17 1 1 A 20 20 ARG CB C 20 34.243 34.666 -0.423 1
1 150 . 17 1 1 A 20 20 ARG N N 20 117.237 116.922 0.315 1
1 151 . 17 1 1 A 21 21 PHE H H 21 8.754 8.994 -0.240 1
1 152 . 17 1 1 A 21 21 PHE HA H 21 4.856 4.972 -0.116 1
1 160 . 17 1 1 A 21 21 PHE C C 21 175.009 175.487 -0.478 1
1 161 . 17 1 1 A 21 21 PHE CA C 21 57.344 56.742 0.602 1
1 162 . 17 1 1 A 21 21 PHE CB C 21 44.452 43.252 1.200 1
1 168 . 17 1 1 A 21 21 PHE N N 21 116.093 119.097 -3.004 1
1 169 . 17 1 1 A 22 22 VAL H H 22 9.432 8.827 0.605 1
1 170 . 17 1 1 A 22 22 VAL HA H 22 4.298 4.143 0.155 1
1 178 . 17 1 1 A 22 22 VAL C C 22 175.477 175.570 -0.093 1
1 179 . 17 1 1 A 22 22 VAL CA C 22 64.474 64.119 0.355 1
1 180 . 17 1 1 A 22 22 VAL CB C 22 33.259 32.944 0.315 1
1 183 . 17 1 1 A 22 22 VAL N N 22 119.283 121.498 -2.215 1
1 184 . 17 1 1 A 23 23 GLN H H 23 7.243 7.523 -0.280 1
1 185 . 17 1 1 A 23 23 GLN HA H 23 4.810 4.645 0.165 1
1 192 . 17 1 1 A 23 23 GLN C C 23 176.882 174.958 1.924 1
1 193 . 17 1 1 A 23 23 GLN CA C 23 53.454 53.674 -0.220 1
1 194 . 17 1 1 A 23 23 GLN CB C 23 30.682 31.024 -0.342 1
1 196 . 17 1 1 A 23 23 GLN N N 23 113.909 118.250 -4.341 1
1 198 . 17 1 1 A 24 24 VAL H H 24 8.554 7.655 0.899 1
1 199 . 17 1 1 A 24 24 VAL HA H 24 2.960 2.991 -0.031 1
1 207 . 17 1 1 A 24 24 VAL C C 24 177.337 177.082 0.255 1
1 208 . 17 1 1 A 24 24 VAL CA C 24 65.388 64.482 0.906 1
1 209 . 17 1 1 A 24 24 VAL CB C 24 30.927 31.196 -0.269 1
1 212 . 17 1 1 A 24 24 VAL N N 24 126.915 124.013 2.902 1
1 213 . 17 1 1 A 25 25 ALA H H 25 8.531 8.090 0.441 1
1 214 . 17 1 1 A 25 25 ALA HA H 25 3.933 3.954 -0.021 1
1 218 . 17 1 1 A 25 25 ALA C C 25 180.524 179.572 0.952 1
1 219 . 17 1 1 A 25 25 ALA CA C 25 55.073 55.145 -0.072 1
1 220 . 17 1 1 A 25 25 ALA CB C 25 18.311 18.488 -0.177 1
1 221 . 17 1 1 A 25 25 ALA N N 25 122.114 123.050 -0.936 1
1 222 . 17 1 1 A 26 26 HIS H H 26 6.892 7.530 -0.638 1
1 223 . 17 1 1 A 26 26 HIS HA H 26 4.436 4.250 0.186 1
1 228 . 17 1 1 A 26 26 HIS C C 26 178.267 177.353 0.914 1
1 229 . 17 1 1 A 26 26 HIS CA C 26 56.426 59.578 -3.152 1
1 230 . 17 1 1 A 26 26 HIS CB C 26 31.750 30.407 1.343 1
1 233 . 17 1 1 A 26 26 HIS N N 26 115.625 115.202 0.423 1
1 234 . 17 1 1 A 27 27 LEU H H 27 6.854 7.505 -0.651 1
1 235 . 17 1 1 A 27 27 LEU HA H 27 3.189 2.304 0.885 1
1 245 . 17 1 1 A 27 27 LEU C C 27 177.246 178.190 -0.944 1
1 246 . 17 1 1 A 27 27 LEU CA C 27 57.874 57.587 0.287 1
1 247 . 17 1 1 A 27 27 LEU CB C 27 40.685 41.386 -0.701 1
1 251 . 17 1 1 A 27 27 LEU N N 27 122.027 120.401 1.626 1
1 252 . 17 1 1 A 28 28 ARG H H 28 8.252 8.724 -0.472 1
1 253 . 17 1 1 A 28 28 ARG HA H 28 3.867 4.064 -0.197 1
1 260 . 17 1 1 A 28 28 ARG C C 28 178.248 177.425 0.823 1
1 261 . 17 1 1 A 28 28 ARG CA C 28 59.410 57.967 1.443 1
1 262 . 17 1 1 A 28 28 ARG CB C 28 29.762 29.321 0.441 1
1 265 . 17 1 1 A 28 28 ARG N N 28 117.010 117.801 -0.791 1
1 266 . 17 1 1 A 29 29 ALA H H 29 7.223 7.674 -0.451 1
1 267 . 17 1 1 A 29 29 ALA HA H 29 4.146 4.228 -0.082 1
1 271 . 17 1 1 A 29 29 ALA C C 29 179.428 179.146 0.282 1
1 272 . 17 1 1 A 29 29 ALA CA C 29 54.170 53.403 0.767 1
1 273 . 17 1 1 A 29 29 ALA CB C 29 18.345 19.056 -0.711 1
1 274 . 17 1 1 A 29 29 ALA N N 29 118.170 120.820 -2.650 1
1 275 . 17 1 1 A 30 30 HIS H H 30 7.527 8.216 -0.689 1
1 276 . 17 1 1 A 30 30 HIS HA H 30 4.166 4.290 -0.124 1
1 281 . 17 1 1 A 30 30 HIS C C 30 176.978 177.061 -0.083 1
1 282 . 17 1 1 A 30 30 HIS CA C 30 59.490 58.989 0.501 1
1 283 . 17 1 1 A 30 30 HIS CB C 30 28.889 30.394 -1.505 1
1 286 . 17 1 1 A 30 30 HIS N N 30 118.012 118.810 -0.798 1
1 287 . 17 1 1 A 31 31 VAL H H 31 8.251 8.545 -0.294 1
1 288 . 17 1 1 A 31 31 VAL HA H 31 3.659 3.915 -0.256 1
1 296 . 17 1 1 A 31 31 VAL C C 31 177.594 177.805 -0.211 1
1 297 . 17 1 1 A 31 31 VAL CA C 31 65.958 65.590 0.368 1
1 298 . 17 1 1 A 31 31 VAL CB C 31 31.636 31.480 0.156 1
1 301 . 17 1 1 A 31 31 VAL N N 31 112.141 117.246 -5.105 1
1 302 . 17 1 1 A 32 32 LEU H H 32 6.906 7.891 -0.985 1
1 303 . 17 1 1 A 32 32 LEU HA H 32 4.135 4.044 0.091 1
1 313 . 17 1 1 A 32 32 LEU C C 32 179.626 179.266 0.360 1
1 314 . 17 1 1 A 32 32 LEU CA C 32 56.826 57.257 -0.431 1
1 315 . 17 1 1 A 32 32 LEU CB C 32 41.476 41.231 0.245 1
1 319 . 17 1 1 A 32 32 LEU N N 32 119.239 121.670 -2.431 1
1 320 . 17 1 1 A 33 33 ILE H H 33 7.880 7.601 0.279 1
1 321 . 17 1 1 A 33 33 ILE HA H 33 3.971 3.670 0.301 1
1 331 . 17 1 1 A 33 33 ILE C C 33 177.546 177.922 -0.376 1
1 332 . 17 1 1 A 33 33 ILE CA C 33 63.138 64.490 -1.352 1
1 333 . 17 1 1 A 33 33 ILE CB C 33 37.587 37.280 0.307 1
1 337 . 17 1 1 A 33 33 ILE N N 33 116.394 115.525 0.869 1
1 338 . 17 1 1 A 34 34 HIS H H 34 7.360 7.466 -0.106 1
1 339 . 17 1 1 A 34 34 HIS HA H 34 4.882 4.364 0.518 1
1 344 . 17 1 1 A 34 34 HIS C C 34 175.699 176.190 -0.491 1
1 345 . 17 1 1 A 34 34 HIS CA C 34 55.093 59.355 -4.262 1
1 346 . 17 1 1 A 34 34 HIS CB C 34 28.461 30.451 -1.990 1
1 349 . 17 1 1 A 34 34 HIS N N 34 117.627 120.379 -2.752 1
1 350 . 17 1 1 A 35 35 THR H H 35 7.805 7.565 0.240 1
1 351 . 17 1 1 A 35 35 THR HA H 35 4.368 3.942 0.426 1
1 356 . 17 1 1 A 35 35 THR C C 35 175.388 175.406 -0.018 1
1 357 . 17 1 1 A 35 35 THR CA C 35 62.548 63.735 -1.187 1
1 358 . 17 1 1 A 35 35 THR CB C 35 69.779 68.800 0.979 1
1 360 . 17 1 1 A 35 35 THR N N 35 112.000 112.815 -0.815 1
1 361 . 17 1 1 A 36 36 GLY H H 36 8.335 8.857 -0.522 1
1 362 . 17 1 1 A 36 36 GLY HA2 H 36 4.049 4.015 0.034 1
1 363 . 17 1 1 A 36 36 GLY HA3 H 36 4.049 4.022 0.027 1
1 364 . 17 1 1 A 36 36 GLY C C 36 174.188 174.014 0.174 1
1 365 . 17 1 1 A 36 36 GLY CA C 36 45.444 45.345 0.099 1
1 366 . 17 1 1 A 36 36 GLY N N 36 111.103 116.658 -5.555 1
1 367 . 17 1 1 A 37 37 SER H H 37 8.231 7.850 0.381 1
1 368 . 17 1 1 A 37 37 SER HA H 37 4.521 4.609 -0.088 1
1 371 . 17 1 1 A 37 37 SER C C 37 174.567 173.920 0.647 1
1 372 . 17 1 1 A 37 37 SER CA C 37 58.242 56.951 1.291 1
1 373 . 17 1 1 A 37 37 SER CB C 37 64.018 65.127 -1.109 1
1 374 . 17 1 1 A 37 37 SER N N 37 115.371 114.729 0.642 1
1 375 . 17 1 1 A 38 38 GLY H H 38 8.310 8.457 -0.147 1
1 376 . 17 1 1 A 38 38 GLY HA2 H 38 4.158 4.072 0.086 1
1 377 . 17 1 1 A 38 38 GLY HA3 H 38 4.094 4.075 0.019 1
1 378 . 17 1 1 A 38 38 GLY C C 38 171.799 173.476 -1.677 1
1 379 . 17 1 1 A 38 38 GLY CA C 38 44.671 43.803 0.868 1
1 380 . 17 1 1 A 38 38 GLY N N 38 110.735 108.033 2.702 1
1 381 . 17 1 1 A 39 39 PRO HA H 39 4.476 4.833 -0.357 1
1 388 . 17 1 1 A 39 39 PRO C C 39 177.307 176.065 1.242 1
1 389 . 17 1 1 A 39 39 PRO CA C 39 63.131 62.442 0.689 1
1 390 . 17 1 1 A 39 39 PRO CB C 39 32.207 29.988 2.219 1
1 393 . 17 1 1 A 40 40 SER H H 40 8.520 8.032 0.488 1
1 394 . 17 1 1 A 40 40 SER C C 40 174.611 172.280 2.331 1
1 395 . 17 1 1 A 40 40 SER CA C 40 58.516 57.894 0.622 1
1 396 . 17 1 1 A 40 40 SER CB C 40 64.203 66.302 -2.099 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.943 4.095 -0.152 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.943 4.097 -0.154 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.561 174.122 0.439 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.444 46.078 -0.634 1
1 5 . 18 1 1 A 8 8 GLY H H 8 8.198 7.841 0.357 1
1 6 . 18 1 1 A 8 8 GLY HA2 H 8 3.922 4.053 -0.131 1
1 7 . 18 1 1 A 8 8 GLY HA3 H 8 3.922 4.058 -0.136 1
1 8 . 18 1 1 A 8 8 GLY C C 8 174.018 173.178 0.840 1
1 9 . 18 1 1 A 8 8 GLY CA C 8 45.107 44.110 0.997 1
1 10 . 18 1 1 A 8 8 GLY N N 8 108.415 109.032 -0.617 1
1 11 . 18 1 1 A 9 9 GLU H H 9 8.350 8.802 -0.452 1
1 12 . 18 1 1 A 9 9 GLU HA H 9 4.173 5.072 -0.899 1
1 17 . 18 1 1 A 9 9 GLU C C 9 176.393 174.265 2.128 1
1 18 . 18 1 1 A 9 9 GLU CA C 9 56.942 55.197 1.745 1
1 19 . 18 1 1 A 9 9 GLU CB C 9 30.240 32.426 -2.186 1
1 21 . 18 1 1 A 9 9 GLU N N 9 120.444 120.007 0.437 1
1 22 . 18 1 1 A 10 10 LYS H H 10 8.332 8.425 -0.093 1
1 23 . 18 1 1 A 10 10 LYS HA H 10 4.543 4.941 -0.398 1
1 32 . 18 1 1 A 10 10 LYS C C 10 174.428 175.326 -0.898 1
1 33 . 18 1 1 A 10 10 LYS CA C 10 53.930 53.094 0.836 1
1 34 . 18 1 1 A 10 10 LYS CB C 10 33.487 34.851 -1.364 1
1 38 . 18 1 1 A 10 10 LYS N N 10 121.692 122.910 -1.218 1
1 39 . 18 1 1 A 11 11 PRO HA H 11 4.207 4.318 -0.111 1
1 46 . 18 1 1 A 11 11 PRO C C 11 176.513 175.853 0.660 1
1 47 . 18 1 1 A 11 11 PRO CA C 11 63.793 64.842 -1.049 1
1 48 . 18 1 1 A 11 11 PRO CB C 11 32.413 31.717 0.696 1
1 51 . 18 1 1 A 12 12 TYR H H 12 7.673 7.174 0.499 1
1 52 . 18 1 1 A 12 12 TYR HA H 12 4.713 4.739 -0.026 1
1 59 . 18 1 1 A 12 12 TYR C C 12 174.235 175.237 -1.002 1
1 60 . 18 1 1 A 12 12 TYR CA C 12 57.962 58.386 -0.424 1
1 61 . 18 1 1 A 12 12 TYR CB C 12 39.042 39.768 -0.726 1
1 66 . 18 1 1 A 12 12 TYR N N 12 117.472 118.246 -0.774 1
1 67 . 18 1 1 A 13 13 LYS H H 13 8.748 8.956 -0.208 1
1 68 . 18 1 1 A 13 13 LYS HA H 13 5.148 5.397 -0.249 1
1 77 . 18 1 1 A 13 13 LYS C C 13 174.652 174.902 -0.250 1
1 78 . 18 1 1 A 13 13 LYS CA C 13 54.661 54.609 0.052 1
1 79 . 18 1 1 A 13 13 LYS CB C 13 36.500 36.415 0.085 1
1 83 . 18 1 1 A 13 13 LYS N N 13 124.877 123.111 1.766 1
1 84 . 18 1 1 A 14 14 CYS H H 14 9.450 9.411 0.039 1
1 85 . 18 1 1 A 14 14 CYS HA H 14 4.588 4.706 -0.118 1
1 88 . 18 1 1 A 14 14 CYS C C 14 177.307 176.036 1.271 1
1 89 . 18 1 1 A 14 14 CYS CA C 14 59.198 58.420 0.778 1
1 90 . 18 1 1 A 14 14 CYS CB C 14 29.918 28.336 1.582 1
1 91 . 18 1 1 A 14 14 CYS N N 14 128.056 124.764 3.292 1
1 92 . 18 1 1 A 15 15 GLU H H 15 9.541 9.045 0.496 1
1 93 . 18 1 1 A 15 15 GLU HA H 15 4.161 4.169 -0.008 1
1 98 . 18 1 1 A 15 15 GLU C C 15 176.855 178.665 -1.810 1
1 99 . 18 1 1 A 15 15 GLU CA C 15 58.462 59.370 -0.908 1
1 100 . 18 1 1 A 15 15 GLU CB C 15 29.612 29.499 0.113 1
1 102 . 18 1 1 A 15 15 GLU N N 15 131.947 127.960 3.987 1
1 103 . 18 1 1 A 16 16 THR H H 16 8.761 7.748 1.013 1
1 104 . 18 1 1 A 16 16 THR HA H 16 4.016 3.847 0.169 1
1 109 . 18 1 1 A 16 16 THR C C 16 174.867 175.635 -0.768 1
1 110 . 18 1 1 A 16 16 THR CA C 16 66.144 66.247 -0.103 1
1 111 . 18 1 1 A 16 16 THR CB C 16 68.802 68.457 0.345 1
1 113 . 18 1 1 A 16 16 THR N N 16 118.440 117.514 0.926 1
1 114 . 18 1 1 A 17 17 CYS H H 17 8.259 7.304 0.955 1
1 115 . 18 1 1 A 17 17 CYS HA H 17 5.198 4.667 0.531 1
1 118 . 18 1 1 A 17 17 CYS C C 17 176.245 175.795 0.450 1
1 119 . 18 1 1 A 17 17 CYS CA C 17 58.242 59.286 -1.044 1
1 120 . 18 1 1 A 17 17 CYS CB C 17 32.889 30.169 2.720 1
1 121 . 18 1 1 A 17 17 CYS N N 17 118.012 115.436 2.576 1
1 122 . 18 1 1 A 18 18 GLY H H 18 8.142 8.148 -0.006 1
1 123 . 18 1 1 A 18 18 GLY HA2 H 18 3.685 4.067 -0.382 1
1 124 . 18 1 1 A 18 18 GLY HA3 H 18 4.275 4.077 0.198 1
1 125 . 18 1 1 A 18 18 GLY C C 18 173.304 174.781 -1.477 1
1 126 . 18 1 1 A 18 18 GLY CA C 18 46.166 45.227 0.939 1
1 127 . 18 1 1 A 18 18 GLY N N 18 113.635 109.868 3.767 1
1 128 . 18 1 1 A 19 19 ALA H H 19 8.257 7.629 0.628 1
1 129 . 18 1 1 A 19 19 ALA HA H 19 4.006 4.319 -0.313 1
1 133 . 18 1 1 A 19 19 ALA C C 19 175.055 175.868 -0.813 1
1 134 . 18 1 1 A 19 19 ALA CA C 19 53.537 51.857 1.680 1
1 135 . 18 1 1 A 19 19 ALA CB C 19 19.738 20.386 -0.648 1
1 136 . 18 1 1 A 19 19 ALA N N 19 125.690 123.998 1.692 1
1 137 . 18 1 1 A 20 20 ARG H H 20 7.669 7.975 -0.306 1
1 138 . 18 1 1 A 20 20 ARG HA H 20 5.257 5.413 -0.156 1
1 145 . 18 1 1 A 20 20 ARG C C 20 175.609 174.507 1.102 1
1 146 . 18 1 1 A 20 20 ARG CA C 20 54.238 54.273 -0.035 1
1 147 . 18 1 1 A 20 20 ARG CB C 20 34.243 34.665 -0.422 1
1 150 . 18 1 1 A 20 20 ARG N N 20 117.237 116.918 0.319 1
1 151 . 18 1 1 A 21 21 PHE H H 21 8.754 9.026 -0.272 1
1 152 . 18 1 1 A 21 21 PHE HA H 21 4.856 4.982 -0.126 1
1 160 . 18 1 1 A 21 21 PHE C C 21 175.009 175.489 -0.480 1
1 161 . 18 1 1 A 21 21 PHE CA C 21 57.344 56.805 0.539 1
1 162 . 18 1 1 A 21 21 PHE CB C 21 44.452 43.231 1.221 1
1 168 . 18 1 1 A 21 21 PHE N N 21 116.093 119.094 -3.001 1
1 169 . 18 1 1 A 22 22 VAL H H 22 9.432 8.783 0.649 1
1 170 . 18 1 1 A 22 22 VAL HA H 22 4.298 4.110 0.188 1
1 178 . 18 1 1 A 22 22 VAL C C 22 175.477 175.330 0.147 1
1 179 . 18 1 1 A 22 22 VAL CA C 22 64.474 64.118 0.356 1
1 180 . 18 1 1 A 22 22 VAL CB C 22 33.259 32.764 0.495 1
1 183 . 18 1 1 A 22 22 VAL N N 22 119.283 121.625 -2.342 1
1 184 . 18 1 1 A 23 23 GLN H H 23 7.243 7.616 -0.373 1
1 185 . 18 1 1 A 23 23 GLN HA H 23 4.810 4.667 0.143 1
1 192 . 18 1 1 A 23 23 GLN C C 23 176.882 175.011 1.871 1
1 193 . 18 1 1 A 23 23 GLN CA C 23 53.454 53.690 -0.236 1
1 194 . 18 1 1 A 23 23 GLN CB C 23 30.682 30.976 -0.294 1
1 196 . 18 1 1 A 23 23 GLN N N 23 113.909 118.229 -4.320 1
1 198 . 18 1 1 A 24 24 VAL H H 24 8.554 7.730 0.824 1
1 199 . 18 1 1 A 24 24 VAL HA H 24 2.960 3.023 -0.063 1
1 207 . 18 1 1 A 24 24 VAL C C 24 177.337 177.140 0.197 1
1 208 . 18 1 1 A 24 24 VAL CA C 24 65.388 64.474 0.914 1
1 209 . 18 1 1 A 24 24 VAL CB C 24 30.927 31.177 -0.250 1
1 212 . 18 1 1 A 24 24 VAL N N 24 126.915 124.001 2.914 1
1 213 . 18 1 1 A 25 25 ALA H H 25 8.531 8.006 0.525 1
1 214 . 18 1 1 A 25 25 ALA HA H 25 3.933 3.948 -0.015 1
1 218 . 18 1 1 A 25 25 ALA C C 25 180.524 179.374 1.150 1
1 219 . 18 1 1 A 25 25 ALA CA C 25 55.073 54.923 0.150 1
1 220 . 18 1 1 A 25 25 ALA CB C 25 18.311 18.515 -0.204 1
1 221 . 18 1 1 A 25 25 ALA N N 25 122.114 122.593 -0.479 1
1 222 . 18 1 1 A 26 26 HIS H H 26 6.892 7.398 -0.506 1
1 223 . 18 1 1 A 26 26 HIS HA H 26 4.436 4.332 0.104 1
1 228 . 18 1 1 A 26 26 HIS C C 26 178.267 177.375 0.892 1
1 229 . 18 1 1 A 26 26 HIS CA C 26 56.426 59.418 -2.992 1
1 230 . 18 1 1 A 26 26 HIS CB C 26 31.750 30.743 1.007 1
1 233 . 18 1 1 A 26 26 HIS N N 26 115.625 115.044 0.581 1
1 234 . 18 1 1 A 27 27 LEU H H 27 6.854 7.561 -0.707 1
1 235 . 18 1 1 A 27 27 LEU HA H 27 3.189 2.290 0.899 1
1 245 . 18 1 1 A 27 27 LEU C C 27 177.246 178.191 -0.945 1
1 246 . 18 1 1 A 27 27 LEU CA C 27 57.874 57.485 0.389 1
1 247 . 18 1 1 A 27 27 LEU CB C 27 40.685 41.514 -0.829 1
1 251 . 18 1 1 A 27 27 LEU N N 27 122.027 120.509 1.518 1
1 252 . 18 1 1 A 28 28 ARG H H 28 8.252 8.742 -0.490 1
1 253 . 18 1 1 A 28 28 ARG HA H 28 3.867 4.076 -0.209 1
1 260 . 18 1 1 A 28 28 ARG C C 28 178.248 177.443 0.805 1
1 261 . 18 1 1 A 28 28 ARG CA C 28 59.410 57.950 1.460 1
1 262 . 18 1 1 A 28 28 ARG CB C 28 29.762 29.263 0.499 1
1 265 . 18 1 1 A 28 28 ARG N N 28 117.010 117.808 -0.798 1
1 266 . 18 1 1 A 29 29 ALA H H 29 7.223 7.653 -0.430 1
1 267 . 18 1 1 A 29 29 ALA HA H 29 4.146 4.190 -0.044 1
1 271 . 18 1 1 A 29 29 ALA C C 29 179.428 178.997 0.431 1
1 272 . 18 1 1 A 29 29 ALA CA C 29 54.170 53.394 0.776 1
1 273 . 18 1 1 A 29 29 ALA CB C 29 18.345 19.132 -0.787 1
1 274 . 18 1 1 A 29 29 ALA N N 29 118.170 120.845 -2.675 1
1 275 . 18 1 1 A 30 30 HIS H H 30 7.527 8.163 -0.636 1
1 276 . 18 1 1 A 30 30 HIS HA H 30 4.166 4.290 -0.124 1
1 281 . 18 1 1 A 30 30 HIS C C 30 176.978 177.062 -0.084 1
1 282 . 18 1 1 A 30 30 HIS CA C 30 59.490 58.990 0.500 1
1 283 . 18 1 1 A 30 30 HIS CB C 30 28.889 30.396 -1.507 1
1 286 . 18 1 1 A 30 30 HIS N N 30 118.012 118.810 -0.798 1
1 287 . 18 1 1 A 31 31 VAL H H 31 8.251 8.446 -0.195 1
1 288 . 18 1 1 A 31 31 VAL HA H 31 3.659 3.924 -0.265 1
1 296 . 18 1 1 A 31 31 VAL C C 31 177.594 177.799 -0.205 1
1 297 . 18 1 1 A 31 31 VAL CA C 31 65.958 65.578 0.380 1
1 298 . 18 1 1 A 31 31 VAL CB C 31 31.636 31.486 0.150 1
1 301 . 18 1 1 A 31 31 VAL N N 31 112.141 117.247 -5.106 1
1 302 . 18 1 1 A 32 32 LEU H H 32 6.906 7.891 -0.985 1
1 303 . 18 1 1 A 32 32 LEU HA H 32 4.135 4.053 0.082 1
1 313 . 18 1 1 A 32 32 LEU C C 32 179.626 179.268 0.358 1
1 314 . 18 1 1 A 32 32 LEU CA C 32 56.826 57.275 -0.449 1
1 315 . 18 1 1 A 32 32 LEU CB C 32 41.476 41.273 0.203 1
1 319 . 18 1 1 A 32 32 LEU N N 32 119.239 121.680 -2.441 1
1 320 . 18 1 1 A 33 33 ILE H H 33 7.880 7.569 0.311 1
1 321 . 18 1 1 A 33 33 ILE HA H 33 3.971 3.669 0.302 1
1 331 . 18 1 1 A 33 33 ILE C C 33 177.546 177.920 -0.374 1
1 332 . 18 1 1 A 33 33 ILE CA C 33 63.138 64.489 -1.351 1
1 333 . 18 1 1 A 33 33 ILE CB C 33 37.587 37.280 0.307 1
1 337 . 18 1 1 A 33 33 ILE N N 33 116.394 115.745 0.649 1
1 338 . 18 1 1 A 34 34 HIS H H 34 7.360 7.499 -0.139 1
1 339 . 18 1 1 A 34 34 HIS HA H 34 4.882 4.354 0.528 1
1 344 . 18 1 1 A 34 34 HIS C C 34 175.699 176.295 -0.596 1
1 345 . 18 1 1 A 34 34 HIS CA C 34 55.093 59.345 -4.252 1
1 346 . 18 1 1 A 34 34 HIS CB C 34 28.461 30.359 -1.898 1
1 349 . 18 1 1 A 34 34 HIS N N 34 117.627 120.306 -2.679 1
1 350 . 18 1 1 A 35 35 THR H H 35 7.805 7.555 0.250 1
1 351 . 18 1 1 A 35 35 THR HA H 35 4.368 4.015 0.353 1
1 356 . 18 1 1 A 35 35 THR C C 35 175.388 174.588 0.800 1
1 357 . 18 1 1 A 35 35 THR CA C 35 62.548 63.690 -1.142 1
1 358 . 18 1 1 A 35 35 THR CB C 35 69.779 68.915 0.864 1
1 360 . 18 1 1 A 35 35 THR N N 35 112.000 112.586 -0.586 1
1 361 . 18 1 1 A 36 36 GLY H H 36 8.335 8.476 -0.141 1
1 362 . 18 1 1 A 36 36 GLY HA2 H 36 4.049 4.033 0.016 1
1 363 . 18 1 1 A 36 36 GLY HA3 H 36 4.049 4.039 0.010 1
1 364 . 18 1 1 A 36 36 GLY C C 36 174.188 173.452 0.736 1
1 365 . 18 1 1 A 36 36 GLY CA C 36 45.444 44.267 1.177 1
1 366 . 18 1 1 A 36 36 GLY N N 36 111.103 115.928 -4.825 1
1 367 . 18 1 1 A 37 37 SER H H 37 8.231 8.301 -0.070 1
1 368 . 18 1 1 A 37 37 SER HA H 37 4.521 4.783 -0.262 1
1 371 . 18 1 1 A 37 37 SER C C 37 174.567 173.774 0.793 1
1 372 . 18 1 1 A 37 37 SER CA C 37 58.242 57.788 0.454 1
1 373 . 18 1 1 A 37 37 SER CB C 37 64.018 62.769 1.249 1
1 374 . 18 1 1 A 37 37 SER N N 37 115.371 119.156 -3.785 1
1 375 . 18 1 1 A 38 38 GLY H H 38 8.310 8.412 -0.102 1
1 376 . 18 1 1 A 38 38 GLY HA2 H 38 4.158 4.173 -0.015 1
1 377 . 18 1 1 A 38 38 GLY HA3 H 38 4.094 4.178 -0.084 1
1 378 . 18 1 1 A 38 38 GLY C C 38 171.799 172.418 -0.619 1
1 379 . 18 1 1 A 38 38 GLY CA C 38 44.671 46.140 -1.469 1
1 380 . 18 1 1 A 38 38 GLY N N 38 110.735 114.081 -3.346 1
1 381 . 18 1 1 A 39 39 PRO HA H 39 4.476 4.638 -0.162 1
1 388 . 18 1 1 A 39 39 PRO C C 39 177.307 177.705 -0.398 1
1 389 . 18 1 1 A 39 39 PRO CA C 39 63.131 62.341 0.790 1
1 390 . 18 1 1 A 39 39 PRO CB C 39 32.207 30.055 2.152 1
1 393 . 18 1 1 A 40 40 SER H H 40 8.520 8.381 0.139 1
1 394 . 18 1 1 A 40 40 SER C C 40 174.611 175.460 -0.849 1
1 395 . 18 1 1 A 40 40 SER CA C 40 58.516 61.679 -3.163 1
1 396 . 18 1 1 A 40 40 SER CB C 40 64.203 62.720 1.483 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.943 3.837 0.106 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.943 3.838 0.105 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.561 173.915 0.646 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.444 47.118 -1.674 1
1 5 . 19 1 1 A 8 8 GLY H H 8 8.198 7.689 0.509 1
1 6 . 19 1 1 A 8 8 GLY HA2 H 8 3.922 4.088 -0.166 1
1 7 . 19 1 1 A 8 8 GLY HA3 H 8 3.922 4.091 -0.169 1
1 8 . 19 1 1 A 8 8 GLY C C 8 174.018 171.864 2.154 1
1 9 . 19 1 1 A 8 8 GLY CA C 8 45.107 45.645 -0.538 1
1 10 . 19 1 1 A 8 8 GLY N N 8 108.415 106.315 2.100 1
1 11 . 19 1 1 A 9 9 GLU H H 9 8.350 8.776 -0.426 1
1 12 . 19 1 1 A 9 9 GLU HA H 9 4.173 5.141 -0.968 1
1 17 . 19 1 1 A 9 9 GLU C C 9 176.393 174.582 1.811 1
1 18 . 19 1 1 A 9 9 GLU CA C 9 56.942 55.185 1.757 1
1 19 . 19 1 1 A 9 9 GLU CB C 9 30.240 32.611 -2.371 1
1 21 . 19 1 1 A 9 9 GLU N N 9 120.444 118.926 1.518 1
1 22 . 19 1 1 A 10 10 LYS H H 10 8.332 8.439 -0.107 1
1 23 . 19 1 1 A 10 10 LYS HA H 10 4.543 4.959 -0.416 1
1 32 . 19 1 1 A 10 10 LYS C C 10 174.428 175.324 -0.896 1
1 33 . 19 1 1 A 10 10 LYS CA C 10 53.930 53.077 0.853 1
1 34 . 19 1 1 A 10 10 LYS CB C 10 33.487 35.036 -1.549 1
1 38 . 19 1 1 A 10 10 LYS N N 10 121.692 123.244 -1.552 1
1 39 . 19 1 1 A 11 11 PRO HA H 11 4.207 4.315 -0.108 1
1 46 . 19 1 1 A 11 11 PRO C C 11 176.513 175.833 0.680 1
1 47 . 19 1 1 A 11 11 PRO CA C 11 63.793 64.751 -0.958 1
1 48 . 19 1 1 A 11 11 PRO CB C 11 32.413 31.668 0.745 1
1 51 . 19 1 1 A 12 12 TYR H H 12 7.673 7.169 0.504 1
1 52 . 19 1 1 A 12 12 TYR HA H 12 4.713 4.853 -0.140 1
1 59 . 19 1 1 A 12 12 TYR C C 12 174.235 175.068 -0.833 1
1 60 . 19 1 1 A 12 12 TYR CA C 12 57.962 58.219 -0.257 1
1 61 . 19 1 1 A 12 12 TYR CB C 12 39.042 39.871 -0.829 1
1 66 . 19 1 1 A 12 12 TYR N N 12 117.472 118.232 -0.760 1
1 67 . 19 1 1 A 13 13 LYS H H 13 8.748 8.972 -0.224 1
1 68 . 19 1 1 A 13 13 LYS HA H 13 5.148 5.369 -0.221 1
1 77 . 19 1 1 A 13 13 LYS C C 13 174.652 174.807 -0.155 1
1 78 . 19 1 1 A 13 13 LYS CA C 13 54.661 54.554 0.107 1
1 79 . 19 1 1 A 13 13 LYS CB C 13 36.500 36.423 0.077 1
1 83 . 19 1 1 A 13 13 LYS N N 13 124.877 122.991 1.886 1
1 84 . 19 1 1 A 14 14 CYS H H 14 9.450 9.391 0.059 1
1 85 . 19 1 1 A 14 14 CYS HA H 14 4.588 4.774 -0.186 1
1 88 . 19 1 1 A 14 14 CYS C C 14 177.307 176.049 1.258 1
1 89 . 19 1 1 A 14 14 CYS CA C 14 59.198 58.373 0.825 1
1 90 . 19 1 1 A 14 14 CYS CB C 14 29.918 28.617 1.301 1
1 91 . 19 1 1 A 14 14 CYS N N 14 128.056 124.725 3.331 1
1 92 . 19 1 1 A 15 15 GLU H H 15 9.541 9.081 0.460 1
1 93 . 19 1 1 A 15 15 GLU HA H 15 4.161 4.170 -0.009 1
1 98 . 19 1 1 A 15 15 GLU C C 15 176.855 178.667 -1.812 1
1 99 . 19 1 1 A 15 15 GLU CA C 15 58.462 59.371 -0.909 1
1 100 . 19 1 1 A 15 15 GLU CB C 15 29.612 29.502 0.110 1
1 102 . 19 1 1 A 15 15 GLU N N 15 131.947 128.032 3.915 1
1 103 . 19 1 1 A 16 16 THR H H 16 8.761 7.752 1.009 1
1 104 . 19 1 1 A 16 16 THR HA H 16 4.016 3.860 0.156 1
1 109 . 19 1 1 A 16 16 THR C C 16 174.867 175.644 -0.777 1
1 110 . 19 1 1 A 16 16 THR CA C 16 66.144 66.254 -0.110 1
1 111 . 19 1 1 A 16 16 THR CB C 16 68.802 68.430 0.372 1
1 113 . 19 1 1 A 16 16 THR N N 16 118.440 117.507 0.933 1
1 114 . 19 1 1 A 17 17 CYS H H 17 8.259 7.330 0.929 1
1 115 . 19 1 1 A 17 17 CYS HA H 17 5.198 4.677 0.521 1
1 118 . 19 1 1 A 17 17 CYS C C 17 176.245 175.696 0.549 1
1 119 . 19 1 1 A 17 17 CYS CA C 17 58.242 59.290 -1.048 1
1 120 . 19 1 1 A 17 17 CYS CB C 17 32.889 30.284 2.605 1
1 121 . 19 1 1 A 17 17 CYS N N 17 118.012 115.452 2.560 1
1 122 . 19 1 1 A 18 18 GLY H H 18 8.142 8.153 -0.011 1
1 123 . 19 1 1 A 18 18 GLY HA2 H 18 3.685 4.068 -0.383 1
1 124 . 19 1 1 A 18 18 GLY HA3 H 18 4.275 4.079 0.196 1
1 125 . 19 1 1 A 18 18 GLY C C 18 173.304 174.753 -1.449 1
1 126 . 19 1 1 A 18 18 GLY CA C 18 46.166 45.211 0.955 1
1 127 . 19 1 1 A 18 18 GLY N N 18 113.635 109.865 3.770 1
1 128 . 19 1 1 A 19 19 ALA H H 19 8.257 7.657 0.600 1
1 129 . 19 1 1 A 19 19 ALA HA H 19 4.006 4.302 -0.296 1
1 133 . 19 1 1 A 19 19 ALA C C 19 175.055 175.899 -0.844 1
1 134 . 19 1 1 A 19 19 ALA CA C 19 53.537 51.929 1.608 1
1 135 . 19 1 1 A 19 19 ALA CB C 19 19.738 20.257 -0.519 1
1 136 . 19 1 1 A 19 19 ALA N N 19 125.690 123.991 1.699 1
1 137 . 19 1 1 A 20 20 ARG H H 20 7.669 7.977 -0.308 1
1 138 . 19 1 1 A 20 20 ARG HA H 20 5.257 5.406 -0.149 1
1 145 . 19 1 1 A 20 20 ARG C C 20 175.609 174.508 1.101 1
1 146 . 19 1 1 A 20 20 ARG CA C 20 54.238 54.301 -0.063 1
1 147 . 19 1 1 A 20 20 ARG CB C 20 34.243 34.705 -0.462 1
1 150 . 19 1 1 A 20 20 ARG N N 20 117.237 116.847 0.390 1
1 151 . 19 1 1 A 21 21 PHE H H 21 8.754 9.034 -0.280 1
1 152 . 19 1 1 A 21 21 PHE HA H 21 4.856 4.974 -0.118 1
1 160 . 19 1 1 A 21 21 PHE C C 21 175.009 175.489 -0.480 1
1 161 . 19 1 1 A 21 21 PHE CA C 21 57.344 56.743 0.601 1
1 162 . 19 1 1 A 21 21 PHE CB C 21 44.452 43.255 1.197 1
1 168 . 19 1 1 A 21 21 PHE N N 21 116.093 119.098 -3.005 1
1 169 . 19 1 1 A 22 22 VAL H H 22 9.432 8.835 0.597 1
1 170 . 19 1 1 A 22 22 VAL HA H 22 4.298 4.141 0.157 1
1 178 . 19 1 1 A 22 22 VAL C C 22 175.477 175.575 -0.098 1
1 179 . 19 1 1 A 22 22 VAL CA C 22 64.474 64.123 0.351 1
1 180 . 19 1 1 A 22 22 VAL CB C 22 33.259 32.991 0.268 1
1 183 . 19 1 1 A 22 22 VAL N N 22 119.283 121.505 -2.222 1
1 184 . 19 1 1 A 23 23 GLN H H 23 7.243 7.531 -0.288 1
1 185 . 19 1 1 A 23 23 GLN HA H 23 4.810 4.654 0.156 1
1 192 . 19 1 1 A 23 23 GLN C C 23 176.882 174.958 1.924 1
1 193 . 19 1 1 A 23 23 GLN CA C 23 53.454 53.694 -0.240 1
1 194 . 19 1 1 A 23 23 GLN CB C 23 30.682 30.967 -0.285 1
1 196 . 19 1 1 A 23 23 GLN N N 23 113.909 118.245 -4.336 1
1 198 . 19 1 1 A 24 24 VAL H H 24 8.554 7.727 0.827 1
1 199 . 19 1 1 A 24 24 VAL HA H 24 2.960 3.002 -0.042 1
1 207 . 19 1 1 A 24 24 VAL C C 24 177.337 177.197 0.140 1
1 208 . 19 1 1 A 24 24 VAL CA C 24 65.388 64.448 0.940 1
1 209 . 19 1 1 A 24 24 VAL CB C 24 30.927 31.207 -0.280 1
1 212 . 19 1 1 A 24 24 VAL N N 24 126.915 124.262 2.653 1
1 213 . 19 1 1 A 25 25 ALA H H 25 8.531 8.068 0.463 1
1 214 . 19 1 1 A 25 25 ALA HA H 25 3.933 3.953 -0.020 1
1 218 . 19 1 1 A 25 25 ALA C C 25 180.524 179.435 1.089 1
1 219 . 19 1 1 A 25 25 ALA CA C 25 55.073 54.897 0.176 1
1 220 . 19 1 1 A 25 25 ALA CB C 25 18.311 18.517 -0.206 1
1 221 . 19 1 1 A 25 25 ALA N N 25 122.114 122.740 -0.626 1
1 222 . 19 1 1 A 26 26 HIS H H 26 6.892 7.389 -0.497 1
1 223 . 19 1 1 A 26 26 HIS HA H 26 4.436 4.350 0.086 1
1 228 . 19 1 1 A 26 26 HIS C C 26 178.267 177.455 0.812 1
1 229 . 19 1 1 A 26 26 HIS CA C 26 56.426 59.419 -2.993 1
1 230 . 19 1 1 A 26 26 HIS CB C 26 31.750 30.749 1.001 1
1 233 . 19 1 1 A 26 26 HIS N N 26 115.625 115.399 0.226 1
1 234 . 19 1 1 A 27 27 LEU H H 27 6.854 7.476 -0.622 1
1 235 . 19 1 1 A 27 27 LEU HA H 27 3.189 2.271 0.918 1
1 245 . 19 1 1 A 27 27 LEU C C 27 177.246 178.107 -0.861 1
1 246 . 19 1 1 A 27 27 LEU CA C 27 57.874 57.473 0.401 1
1 247 . 19 1 1 A 27 27 LEU CB C 27 40.685 41.455 -0.770 1
1 251 . 19 1 1 A 27 27 LEU N N 27 122.027 120.407 1.620 1
1 252 . 19 1 1 A 28 28 ARG H H 28 8.252 8.736 -0.484 1
1 253 . 19 1 1 A 28 28 ARG HA H 28 3.867 4.055 -0.188 1
1 260 . 19 1 1 A 28 28 ARG C C 28 178.248 177.404 0.844 1
1 261 . 19 1 1 A 28 28 ARG CA C 28 59.410 58.028 1.382 1
1 262 . 19 1 1 A 28 28 ARG CB C 28 29.762 29.332 0.430 1
1 265 . 19 1 1 A 28 28 ARG N N 28 117.010 117.778 -0.768 1
1 266 . 19 1 1 A 29 29 ALA H H 29 7.223 7.697 -0.474 1
1 267 . 19 1 1 A 29 29 ALA HA H 29 4.146 4.203 -0.057 1
1 271 . 19 1 1 A 29 29 ALA C C 29 179.428 179.155 0.273 1
1 272 . 19 1 1 A 29 29 ALA CA C 29 54.170 53.478 0.692 1
1 273 . 19 1 1 A 29 29 ALA CB C 29 18.345 19.034 -0.689 1
1 274 . 19 1 1 A 29 29 ALA N N 29 118.170 120.805 -2.635 1
1 275 . 19 1 1 A 30 30 HIS H H 30 7.527 8.142 -0.615 1
1 276 . 19 1 1 A 30 30 HIS HA H 30 4.166 4.292 -0.126 1
1 281 . 19 1 1 A 30 30 HIS C C 30 176.978 177.060 -0.082 1
1 282 . 19 1 1 A 30 30 HIS CA C 30 59.490 58.791 0.699 1
1 283 . 19 1 1 A 30 30 HIS CB C 30 28.889 30.273 -1.384 1
1 286 . 19 1 1 A 30 30 HIS N N 30 118.012 118.809 -0.797 1
1 287 . 19 1 1 A 31 31 VAL H H 31 8.251 8.493 -0.242 1
1 288 . 19 1 1 A 31 31 VAL HA H 31 3.659 3.910 -0.251 1
1 296 . 19 1 1 A 31 31 VAL C C 31 177.594 177.789 -0.195 1
1 297 . 19 1 1 A 31 31 VAL CA C 31 65.958 65.569 0.389 1
1 298 . 19 1 1 A 31 31 VAL CB C 31 31.636 31.476 0.160 1
1 301 . 19 1 1 A 31 31 VAL N N 31 112.141 117.258 -5.117 1
1 302 . 19 1 1 A 32 32 LEU H H 32 6.906 7.889 -0.983 1
1 303 . 19 1 1 A 32 32 LEU HA H 32 4.135 4.059 0.076 1
1 313 . 19 1 1 A 32 32 LEU C C 32 179.626 179.261 0.365 1
1 314 . 19 1 1 A 32 32 LEU CA C 32 56.826 57.199 -0.373 1
1 315 . 19 1 1 A 32 32 LEU CB C 32 41.476 41.251 0.225 1
1 319 . 19 1 1 A 32 32 LEU N N 32 119.239 121.693 -2.454 1
1 320 . 19 1 1 A 33 33 ILE H H 33 7.880 7.634 0.246 1
1 321 . 19 1 1 A 33 33 ILE HA H 33 3.971 3.652 0.319 1
1 331 . 19 1 1 A 33 33 ILE C C 33 177.546 177.913 -0.367 1
1 332 . 19 1 1 A 33 33 ILE CA C 33 63.138 64.494 -1.356 1
1 333 . 19 1 1 A 33 33 ILE CB C 33 37.587 37.269 0.318 1
1 337 . 19 1 1 A 33 33 ILE N N 33 116.394 115.697 0.697 1
1 338 . 19 1 1 A 34 34 HIS H H 34 7.360 7.523 -0.163 1
1 339 . 19 1 1 A 34 34 HIS HA H 34 4.882 4.343 0.539 1
1 344 . 19 1 1 A 34 34 HIS C C 34 175.699 176.731 -1.032 1
1 345 . 19 1 1 A 34 34 HIS CA C 34 55.093 59.668 -4.575 1
1 346 . 19 1 1 A 34 34 HIS CB C 34 28.461 30.414 -1.953 1
1 349 . 19 1 1 A 34 34 HIS N N 34 117.627 120.457 -2.830 1
1 350 . 19 1 1 A 35 35 THR H H 35 7.805 7.591 0.214 1
1 351 . 19 1 1 A 35 35 THR HA H 35 4.368 4.279 0.089 1
1 356 . 19 1 1 A 35 35 THR C C 35 175.388 175.710 -0.322 1
1 357 . 19 1 1 A 35 35 THR CA C 35 62.548 61.188 1.360 1
1 358 . 19 1 1 A 35 35 THR CB C 35 69.779 67.017 2.762 1
1 360 . 19 1 1 A 35 35 THR N N 35 112.000 112.382 -0.382 1
1 361 . 19 1 1 A 36 36 GLY H H 36 8.335 8.534 -0.199 1
1 362 . 19 1 1 A 36 36 GLY HA2 H 36 4.049 3.806 0.243 1
1 363 . 19 1 1 A 36 36 GLY HA3 H 36 4.049 3.809 0.240 1
1 364 . 19 1 1 A 36 36 GLY C C 36 174.188 174.652 -0.464 1
1 365 . 19 1 1 A 36 36 GLY CA C 36 45.444 46.958 -1.514 1
1 366 . 19 1 1 A 36 36 GLY N N 36 111.103 113.029 -1.926 1
1 367 . 19 1 1 A 37 37 SER H H 37 8.231 8.158 0.073 1
1 368 . 19 1 1 A 37 37 SER HA H 37 4.521 4.390 0.131 1
1 371 . 19 1 1 A 37 37 SER C C 37 174.567 175.481 -0.914 1
1 372 . 19 1 1 A 37 37 SER CA C 37 58.242 59.837 -1.595 1
1 373 . 19 1 1 A 37 37 SER CB C 37 64.018 63.813 0.205 1
1 374 . 19 1 1 A 37 37 SER N N 37 115.371 114.059 1.312 1
1 375 . 19 1 1 A 38 38 GLY H H 38 8.310 8.716 -0.406 1
1 376 . 19 1 1 A 38 38 GLY HA2 H 38 4.158 3.983 0.175 1
1 377 . 19 1 1 A 38 38 GLY HA3 H 38 4.094 3.985 0.109 1
1 378 . 19 1 1 A 38 38 GLY C C 38 171.799 173.956 -2.157 1
1 379 . 19 1 1 A 38 38 GLY CA C 38 44.671 46.509 -1.838 1
1 380 . 19 1 1 A 38 38 GLY N N 38 110.735 112.288 -1.553 1
1 381 . 19 1 1 A 39 39 PRO HA H 39 4.476 4.639 -0.163 1
1 388 . 19 1 1 A 39 39 PRO C C 39 177.307 176.761 0.546 1
1 389 . 19 1 1 A 39 39 PRO CA C 39 63.131 62.738 0.393 1
1 390 . 19 1 1 A 39 39 PRO CB C 39 32.207 33.086 -0.879 1
1 393 . 19 1 1 A 40 40 SER H H 40 8.520 8.816 -0.296 1
1 394 . 19 1 1 A 40 40 SER C C 40 174.611 174.986 -0.375 1
1 395 . 19 1 1 A 40 40 SER CA C 40 58.516 57.604 0.912 1
1 396 . 19 1 1 A 40 40 SER CB C 40 64.203 63.525 0.678 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.943 4.095 -0.152 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.943 4.097 -0.154 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.561 174.002 0.559 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.444 44.515 0.929 1
1 5 . 20 1 1 A 8 8 GLY H H 8 8.198 8.099 0.099 1
1 6 . 20 1 1 A 8 8 GLY HA2 H 8 3.922 4.002 -0.080 1
1 7 . 20 1 1 A 8 8 GLY HA3 H 8 3.922 4.011 -0.089 1
1 8 . 20 1 1 A 8 8 GLY C C 8 174.018 174.521 -0.503 1
1 9 . 20 1 1 A 8 8 GLY CA C 8 45.107 45.834 -0.727 1
1 10 . 20 1 1 A 8 8 GLY N N 8 108.415 110.406 -1.991 1
1 11 . 20 1 1 A 9 9 GLU H H 9 8.350 7.841 0.509 1
1 12 . 20 1 1 A 9 9 GLU HA H 9 4.173 4.304 -0.131 1
1 17 . 20 1 1 A 9 9 GLU C C 9 176.393 176.554 -0.161 1
1 18 . 20 1 1 A 9 9 GLU CA C 9 56.942 56.624 0.318 1
1 19 . 20 1 1 A 9 9 GLU CB C 9 30.240 29.580 0.660 1
1 21 . 20 1 1 A 9 9 GLU N N 9 120.444 119.399 1.045 1
1 22 . 20 1 1 A 10 10 LYS H H 10 8.332 8.076 0.256 1
1 23 . 20 1 1 A 10 10 LYS HA H 10 4.543 4.906 -0.363 1
1 32 . 20 1 1 A 10 10 LYS C C 10 174.428 175.313 -0.885 1
1 33 . 20 1 1 A 10 10 LYS CA C 10 53.930 53.225 0.705 1
1 34 . 20 1 1 A 10 10 LYS CB C 10 33.487 34.740 -1.253 1
1 38 . 20 1 1 A 10 10 LYS N N 10 121.692 124.396 -2.704 1
1 39 . 20 1 1 A 11 11 PRO HA H 11 4.207 4.340 -0.133 1
1 46 . 20 1 1 A 11 11 PRO C C 11 176.513 175.836 0.677 1
1 47 . 20 1 1 A 11 11 PRO CA C 11 63.793 64.749 -0.956 1
1 48 . 20 1 1 A 11 11 PRO CB C 11 32.413 31.669 0.744 1
1 51 . 20 1 1 A 12 12 TYR H H 12 7.673 7.160 0.513 1
1 52 . 20 1 1 A 12 12 TYR HA H 12 4.713 4.845 -0.132 1
1 59 . 20 1 1 A 12 12 TYR C C 12 174.235 175.239 -1.004 1
1 60 . 20 1 1 A 12 12 TYR CA C 12 57.962 58.213 -0.251 1
1 61 . 20 1 1 A 12 12 TYR CB C 12 39.042 39.704 -0.662 1
1 66 . 20 1 1 A 12 12 TYR N N 12 117.472 118.238 -0.766 1
1 67 . 20 1 1 A 13 13 LYS H H 13 8.748 9.039 -0.291 1
1 68 . 20 1 1 A 13 13 LYS HA H 13 5.148 5.388 -0.240 1
1 77 . 20 1 1 A 13 13 LYS C C 13 174.652 174.819 -0.167 1
1 78 . 20 1 1 A 13 13 LYS CA C 13 54.661 54.540 0.121 1
1 79 . 20 1 1 A 13 13 LYS CB C 13 36.500 36.465 0.035 1
1 83 . 20 1 1 A 13 13 LYS N N 13 124.877 123.185 1.692 1
1 84 . 20 1 1 A 14 14 CYS H H 14 9.450 9.402 0.048 1
1 85 . 20 1 1 A 14 14 CYS HA H 14 4.588 4.737 -0.149 1
1 88 . 20 1 1 A 14 14 CYS C C 14 177.307 176.041 1.266 1
1 89 . 20 1 1 A 14 14 CYS CA C 14 59.198 58.384 0.814 1
1 90 . 20 1 1 A 14 14 CYS CB C 14 29.918 28.527 1.391 1
1 91 . 20 1 1 A 14 14 CYS N N 14 128.056 124.738 3.318 1
1 92 . 20 1 1 A 15 15 GLU H H 15 9.541 9.077 0.464 1
1 93 . 20 1 1 A 15 15 GLU HA H 15 4.161 4.151 0.010 1
1 98 . 20 1 1 A 15 15 GLU C C 15 176.855 178.672 -1.817 1
1 99 . 20 1 1 A 15 15 GLU CA C 15 58.462 59.376 -0.914 1
1 100 . 20 1 1 A 15 15 GLU CB C 15 29.612 29.497 0.115 1
1 102 . 20 1 1 A 15 15 GLU N N 15 131.947 128.045 3.902 1
1 103 . 20 1 1 A 16 16 THR H H 16 8.761 7.794 0.967 1
1 104 . 20 1 1 A 16 16 THR HA H 16 4.016 3.846 0.170 1
1 109 . 20 1 1 A 16 16 THR C C 16 174.867 175.696 -0.829 1
1 110 . 20 1 1 A 16 16 THR CA C 16 66.144 66.332 -0.188 1
1 111 . 20 1 1 A 16 16 THR CB C 16 68.802 68.451 0.351 1
1 113 . 20 1 1 A 16 16 THR N N 16 118.440 117.368 1.072 1
1 114 . 20 1 1 A 17 17 CYS H H 17 8.259 7.722 0.537 1
1 115 . 20 1 1 A 17 17 CYS HA H 17 5.198 4.675 0.523 1
1 118 . 20 1 1 A 17 17 CYS C C 17 176.245 175.726 0.519 1
1 119 . 20 1 1 A 17 17 CYS CA C 17 58.242 59.297 -1.055 1
1 120 . 20 1 1 A 17 17 CYS CB C 17 32.889 30.182 2.707 1
1 121 . 20 1 1 A 17 17 CYS N N 17 118.012 115.573 2.439 1
1 122 . 20 1 1 A 18 18 GLY H H 18 8.142 8.217 -0.075 1
1 123 . 20 1 1 A 18 18 GLY HA2 H 18 3.685 4.066 -0.381 1
1 124 . 20 1 1 A 18 18 GLY HA3 H 18 4.275 4.076 0.199 1
1 125 . 20 1 1 A 18 18 GLY C C 18 173.304 174.781 -1.477 1
1 126 . 20 1 1 A 18 18 GLY CA C 18 46.166 45.231 0.935 1
1 127 . 20 1 1 A 18 18 GLY N N 18 113.635 110.062 3.573 1
1 128 . 20 1 1 A 19 19 ALA H H 19 8.257 7.657 0.600 1
1 129 . 20 1 1 A 19 19 ALA HA H 19 4.006 4.301 -0.295 1
1 133 . 20 1 1 A 19 19 ALA C C 19 175.055 175.892 -0.837 1
1 134 . 20 1 1 A 19 19 ALA CA C 19 53.537 51.960 1.577 1
1 135 . 20 1 1 A 19 19 ALA CB C 19 19.738 20.253 -0.515 1
1 136 . 20 1 1 A 19 19 ALA N N 19 125.690 123.995 1.695 1
1 137 . 20 1 1 A 20 20 ARG H H 20 7.669 7.989 -0.320 1
1 138 . 20 1 1 A 20 20 ARG HA H 20 5.257 5.413 -0.156 1
1 145 . 20 1 1 A 20 20 ARG C C 20 175.609 174.495 1.114 1
1 146 . 20 1 1 A 20 20 ARG CA C 20 54.238 54.226 0.012 1
1 147 . 20 1 1 A 20 20 ARG CB C 20 34.243 34.664 -0.421 1
1 150 . 20 1 1 A 20 20 ARG N N 20 117.237 116.729 0.508 1
1 151 . 20 1 1 A 21 21 PHE H H 21 8.754 9.020 -0.266 1
1 152 . 20 1 1 A 21 21 PHE HA H 21 4.856 4.970 -0.114 1
1 160 . 20 1 1 A 21 21 PHE C C 21 175.009 175.488 -0.479 1
1 161 . 20 1 1 A 21 21 PHE CA C 21 57.344 56.737 0.607 1
1 162 . 20 1 1 A 21 21 PHE CB C 21 44.452 43.241 1.211 1
1 168 . 20 1 1 A 21 21 PHE N N 21 116.093 119.092 -2.999 1
1 169 . 20 1 1 A 22 22 VAL H H 22 9.432 8.818 0.614 1
1 170 . 20 1 1 A 22 22 VAL HA H 22 4.298 4.112 0.186 1
1 178 . 20 1 1 A 22 22 VAL C C 22 175.477 175.322 0.155 1
1 179 . 20 1 1 A 22 22 VAL CA C 22 64.474 64.119 0.355 1
1 180 . 20 1 1 A 22 22 VAL CB C 22 33.259 32.935 0.324 1
1 183 . 20 1 1 A 22 22 VAL N N 22 119.283 121.624 -2.341 1
1 184 . 20 1 1 A 23 23 GLN H H 23 7.243 7.499 -0.256 1
1 185 . 20 1 1 A 23 23 GLN HA H 23 4.810 4.647 0.163 1
1 192 . 20 1 1 A 23 23 GLN C C 23 176.882 174.962 1.920 1
1 193 . 20 1 1 A 23 23 GLN CA C 23 53.454 53.733 -0.279 1
1 194 . 20 1 1 A 23 23 GLN CB C 23 30.682 30.918 -0.236 1
1 196 . 20 1 1 A 23 23 GLN N N 23 113.909 118.207 -4.298 1
1 198 . 20 1 1 A 24 24 VAL H H 24 8.554 7.686 0.868 1
1 199 . 20 1 1 A 24 24 VAL HA H 24 2.960 3.039 -0.079 1
1 207 . 20 1 1 A 24 24 VAL C C 24 177.337 177.138 0.199 1
1 208 . 20 1 1 A 24 24 VAL CA C 24 65.388 64.471 0.917 1
1 209 . 20 1 1 A 24 24 VAL CB C 24 30.927 31.218 -0.291 1
1 212 . 20 1 1 A 24 24 VAL N N 24 126.915 124.048 2.867 1
1 213 . 20 1 1 A 25 25 ALA H H 25 8.531 8.052 0.479 1
1 214 . 20 1 1 A 25 25 ALA HA H 25 3.933 3.957 -0.024 1
1 218 . 20 1 1 A 25 25 ALA C C 25 180.524 179.499 1.025 1
1 219 . 20 1 1 A 25 25 ALA CA C 25 55.073 54.993 0.080 1
1 220 . 20 1 1 A 25 25 ALA CB C 25 18.311 18.493 -0.182 1
1 221 . 20 1 1 A 25 25 ALA N N 25 122.114 122.546 -0.432 1
1 222 . 20 1 1 A 26 26 HIS H H 26 6.892 7.433 -0.541 1
1 223 . 20 1 1 A 26 26 HIS HA H 26 4.436 4.299 0.137 1
1 228 . 20 1 1 A 26 26 HIS C C 26 178.267 177.370 0.897 1
1 229 . 20 1 1 A 26 26 HIS CA C 26 56.426 59.410 -2.984 1
1 230 . 20 1 1 A 26 26 HIS CB C 26 31.750 30.563 1.187 1
1 233 . 20 1 1 A 26 26 HIS N N 26 115.625 115.064 0.561 1
1 234 . 20 1 1 A 27 27 LEU H H 27 6.854 7.476 -0.622 1
1 235 . 20 1 1 A 27 27 LEU HA H 27 3.189 2.259 0.930 1
1 245 . 20 1 1 A 27 27 LEU C C 27 177.246 178.217 -0.971 1
1 246 . 20 1 1 A 27 27 LEU CA C 27 57.874 57.512 0.362 1
1 247 . 20 1 1 A 27 27 LEU CB C 27 40.685 41.430 -0.745 1
1 251 . 20 1 1 A 27 27 LEU N N 27 122.027 120.402 1.625 1
1 252 . 20 1 1 A 28 28 ARG H H 28 8.252 8.737 -0.485 1
1 253 . 20 1 1 A 28 28 ARG HA H 28 3.867 4.058 -0.191 1
1 260 . 20 1 1 A 28 28 ARG C C 28 178.248 177.409 0.839 1
1 261 . 20 1 1 A 28 28 ARG CA C 28 59.410 58.043 1.367 1
1 262 . 20 1 1 A 28 28 ARG CB C 28 29.762 29.342 0.420 1
1 265 . 20 1 1 A 28 28 ARG N N 28 117.010 117.794 -0.784 1
1 266 . 20 1 1 A 29 29 ALA H H 29 7.223 7.700 -0.477 1
1 267 . 20 1 1 A 29 29 ALA HA H 29 4.146 4.203 -0.057 1
1 271 . 20 1 1 A 29 29 ALA C C 29 179.428 179.160 0.268 1
1 272 . 20 1 1 A 29 29 ALA CA C 29 54.170 53.482 0.688 1
1 273 . 20 1 1 A 29 29 ALA CB C 29 18.345 19.031 -0.686 1
1 274 . 20 1 1 A 29 29 ALA N N 29 118.170 120.988 -2.818 1
1 275 . 20 1 1 A 30 30 HIS H H 30 7.527 8.155 -0.628 1
1 276 . 20 1 1 A 30 30 HIS HA H 30 4.166 4.289 -0.123 1
1 281 . 20 1 1 A 30 30 HIS C C 30 176.978 177.065 -0.087 1
1 282 . 20 1 1 A 30 30 HIS CA C 30 59.490 58.921 0.569 1
1 283 . 20 1 1 A 30 30 HIS CB C 30 28.889 30.226 -1.337 1
1 286 . 20 1 1 A 30 30 HIS N N 30 118.012 118.806 -0.794 1
1 287 . 20 1 1 A 31 31 VAL H H 31 8.251 8.487 -0.236 1
1 288 . 20 1 1 A 31 31 VAL HA H 31 3.659 3.925 -0.266 1
1 296 . 20 1 1 A 31 31 VAL C C 31 177.594 177.854 -0.260 1
1 297 . 20 1 1 A 31 31 VAL CA C 31 65.958 65.572 0.386 1
1 298 . 20 1 1 A 31 31 VAL CB C 31 31.636 31.549 0.087 1
1 301 . 20 1 1 A 31 31 VAL N N 31 112.141 117.484 -5.343 1
1 302 . 20 1 1 A 32 32 LEU H H 32 6.906 7.920 -1.014 1
1 303 . 20 1 1 A 32 32 LEU HA H 32 4.135 4.022 0.113 1
1 313 . 20 1 1 A 32 32 LEU C C 32 179.626 179.213 0.413 1
1 314 . 20 1 1 A 32 32 LEU CA C 32 56.826 57.339 -0.513 1
1 315 . 20 1 1 A 32 32 LEU CB C 32 41.476 41.337 0.139 1
1 319 . 20 1 1 A 32 32 LEU N N 32 119.239 121.646 -2.407 1
1 320 . 20 1 1 A 33 33 ILE H H 33 7.880 7.651 0.229 1
1 321 . 20 1 1 A 33 33 ILE HA H 33 3.971 3.677 0.294 1
1 331 . 20 1 1 A 33 33 ILE C C 33 177.546 177.653 -0.107 1
1 332 . 20 1 1 A 33 33 ILE CA C 33 63.138 64.505 -1.367 1
1 333 . 20 1 1 A 33 33 ILE CB C 33 37.587 37.268 0.319 1
1 337 . 20 1 1 A 33 33 ILE N N 33 116.394 116.163 0.231 1
1 338 . 20 1 1 A 34 34 HIS H H 34 7.360 7.445 -0.085 1
1 339 . 20 1 1 A 34 34 HIS HA H 34 4.882 4.376 0.506 1
1 344 . 20 1 1 A 34 34 HIS C C 34 175.699 176.285 -0.586 1
1 345 . 20 1 1 A 34 34 HIS CA C 34 55.093 58.738 -3.645 1
1 346 . 20 1 1 A 34 34 HIS CB C 34 28.461 30.261 -1.800 1
1 349 . 20 1 1 A 34 34 HIS N N 34 117.627 120.411 -2.784 1
1 350 . 20 1 1 A 35 35 THR H H 35 7.805 7.434 0.371 1
1 351 . 20 1 1 A 35 35 THR HA H 35 4.368 4.030 0.338 1
1 356 . 20 1 1 A 35 35 THR C C 35 175.388 174.136 1.252 1
1 357 . 20 1 1 A 35 35 THR CA C 35 62.548 63.674 -1.126 1
1 358 . 20 1 1 A 35 35 THR CB C 35 69.779 69.198 0.581 1
1 360 . 20 1 1 A 35 35 THR N N 35 112.000 112.360 -0.360 1
1 361 . 20 1 1 A 36 36 GLY H H 36 8.335 8.601 -0.266 1
1 362 . 20 1 1 A 36 36 GLY HA2 H 36 4.049 4.144 -0.095 1
1 363 . 20 1 1 A 36 36 GLY HA3 H 36 4.049 4.149 -0.100 1
1 364 . 20 1 1 A 36 36 GLY C C 36 174.188 172.603 1.585 1
1 365 . 20 1 1 A 36 36 GLY CA C 36 45.444 44.231 1.213 1
1 366 . 20 1 1 A 36 36 GLY N N 36 111.103 113.552 -2.449 1
1 367 . 20 1 1 A 37 37 SER H H 37 8.231 8.557 -0.326 1
1 368 . 20 1 1 A 37 37 SER HA H 37 4.521 4.620 -0.099 1
1 371 . 20 1 1 A 37 37 SER C C 37 174.567 174.746 -0.179 1
1 372 . 20 1 1 A 37 37 SER CA C 37 58.242 58.068 0.174 1
1 373 . 20 1 1 A 37 37 SER CB C 37 64.018 61.880 2.138 1
1 374 . 20 1 1 A 37 37 SER N N 37 115.371 117.289 -1.918 1
1 375 . 20 1 1 A 38 38 GLY H H 38 8.310 8.563 -0.253 1
1 376 . 20 1 1 A 38 38 GLY HA2 H 38 4.158 4.001 0.157 1
1 377 . 20 1 1 A 38 38 GLY HA3 H 38 4.094 4.004 0.090 1
1 378 . 20 1 1 A 38 38 GLY C C 38 171.799 173.828 -2.029 1
1 379 . 20 1 1 A 38 38 GLY CA C 38 44.671 44.724 -0.053 1
1 380 . 20 1 1 A 38 38 GLY N N 38 110.735 115.813 -5.078 1
1 381 . 20 1 1 A 39 39 PRO HA H 39 4.476 4.581 -0.105 1
1 388 . 20 1 1 A 39 39 PRO C C 39 177.307 177.657 -0.350 1
1 389 . 20 1 1 A 39 39 PRO CA C 39 63.131 62.384 0.747 1
1 390 . 20 1 1 A 39 39 PRO CB C 39 32.207 29.937 2.270 1
1 393 . 20 1 1 A 40 40 SER H H 40 8.520 8.420 0.100 1
1 394 . 20 1 1 A 40 40 SER C C 40 174.611 174.459 0.152 1
1 395 . 20 1 1 A 40 40 SER CA C 40 58.516 61.697 -3.181 1
1 396 . 20 1 1 A 40 40 SER CB C 40 64.203 63.144 1.059 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 34 1.067 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.287 1
3 1 1 1 "RMS(OBS, PRED)" CB 29 0.994 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.486 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.297 1
6 1 1 1 "RMS(OBS, PRED)" N 30 2.575 1
7 1 2 1 "RMS(OBS, PRED)" C 34 0.989 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.180 1
9 1 2 1 "RMS(OBS, PRED)" CB 29 1.058 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.485 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.285 1
12 1 2 1 "RMS(OBS, PRED)" N 30 2.570 1
13 1 3 1 "RMS(OBS, PRED)" C 34 0.992 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.281 1
15 1 3 1 "RMS(OBS, PRED)" CB 29 0.996 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.494 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.300 1
18 1 3 1 "RMS(OBS, PRED)" N 30 2.536 1
19 1 4 1 "RMS(OBS, PRED)" C 34 0.941 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.271 1
21 1 4 1 "RMS(OBS, PRED)" CB 29 1.084 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.545 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.299 1
24 1 4 1 "RMS(OBS, PRED)" N 30 2.525 1
25 1 5 1 "RMS(OBS, PRED)" C 34 1.054 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.344 1
27 1 5 1 "RMS(OBS, PRED)" CB 29 1.142 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.543 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.326 1
30 1 5 1 "RMS(OBS, PRED)" N 30 2.497 1
31 1 6 1 "RMS(OBS, PRED)" C 34 1.076 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.227 1
33 1 6 1 "RMS(OBS, PRED)" CB 29 1.089 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.487 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.312 1
36 1 6 1 "RMS(OBS, PRED)" N 30 2.542 1
37 1 7 1 "RMS(OBS, PRED)" C 34 0.994 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.212 1
39 1 7 1 "RMS(OBS, PRED)" CB 29 0.954 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.528 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.309 1
42 1 7 1 "RMS(OBS, PRED)" N 30 2.651 1
43 1 8 1 "RMS(OBS, PRED)" C 34 1.013 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.285 1
45 1 8 1 "RMS(OBS, PRED)" CB 29 1.239 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.517 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.293 1
48 1 8 1 "RMS(OBS, PRED)" N 30 2.798 1
49 1 9 1 "RMS(OBS, PRED)" C 34 0.992 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.302 1
51 1 9 1 "RMS(OBS, PRED)" CB 29 1.059 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.519 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.338 1
54 1 9 1 "RMS(OBS, PRED)" N 30 2.513 1
55 1 10 1 "RMS(OBS, PRED)" C 34 1.061 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.308 1
57 1 10 1 "RMS(OBS, PRED)" CB 29 0.877 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.512 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.283 1
60 1 10 1 "RMS(OBS, PRED)" N 30 2.465 1
61 1 11 1 "RMS(OBS, PRED)" C 34 1.273 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.284 1
63 1 11 1 "RMS(OBS, PRED)" CB 29 1.102 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.521 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.310 1
66 1 11 1 "RMS(OBS, PRED)" N 30 2.557 1
67 1 12 1 "RMS(OBS, PRED)" C 34 1.088 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.231 1
69 1 12 1 "RMS(OBS, PRED)" CB 29 0.958 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.513 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.311 1
72 1 12 1 "RMS(OBS, PRED)" N 30 2.611 1
73 1 13 1 "RMS(OBS, PRED)" C 34 1.113 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.359 1
75 1 13 1 "RMS(OBS, PRED)" CB 29 0.973 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.533 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.309 1
78 1 13 1 "RMS(OBS, PRED)" N 30 2.443 1
79 1 14 1 "RMS(OBS, PRED)" C 34 0.844 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.206 1
81 1 14 1 "RMS(OBS, PRED)" CB 29 1.013 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.526 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.273 1
84 1 14 1 "RMS(OBS, PRED)" N 30 2.627 1
85 1 15 1 "RMS(OBS, PRED)" C 34 0.892 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.396 1
87 1 15 1 "RMS(OBS, PRED)" CB 29 1.016 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.502 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.306 1
90 1 15 1 "RMS(OBS, PRED)" N 30 2.640 1
91 1 16 1 "RMS(OBS, PRED)" C 34 1.007 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.224 1
93 1 16 1 "RMS(OBS, PRED)" CB 29 1.125 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.530 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.275 1
96 1 16 1 "RMS(OBS, PRED)" N 30 2.973 1
97 1 17 1 "RMS(OBS, PRED)" C 34 1.001 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.270 1
99 1 17 1 "RMS(OBS, PRED)" CB 29 1.155 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.526 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.313 1
102 1 17 1 "RMS(OBS, PRED)" N 30 2.682 1
103 1 18 1 "RMS(OBS, PRED)" C 34 0.935 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.371 1
105 1 18 1 "RMS(OBS, PRED)" CB 29 1.164 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.507 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.302 1
108 1 18 1 "RMS(OBS, PRED)" N 30 2.619 1
109 1 19 1 "RMS(OBS, PRED)" C 34 1.031 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.366 1
111 1 19 1 "RMS(OBS, PRED)" CB 29 1.152 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.505 1
113 1 19 1 "RMS(OBS, PRED)" HA 38 0.309 1
114 1 19 1 "RMS(OBS, PRED)" N 30 2.379 1
115 1 20 1 "RMS(OBS, PRED)" C 34 0.944 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.245 1
117 1 20 1 "RMS(OBS, PRED)" CB 29 1.094 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.488 1
119 1 20 1 "RMS(OBS, PRED)" HA 38 0.263 1
120 1 20 1 "RMS(OBS, PRED)" N 30 2.602 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 3.943 4.032 -0.089 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.943 4.035 -0.092 2
1 3 . 1 1 A 7 7 GLY C C 7 174.561 173.700 0.861 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.444 45.657 -0.213 2
1 5 . 1 1 A 8 8 GLY H H 8 8.198 8.294 -0.096 2
1 6 . 1 1 A 8 8 GLY HA2 H 8 3.922 4.104 -0.182 2
1 7 . 1 1 A 8 8 GLY HA3 H 8 3.922 4.109 -0.187 2
1 8 . 1 1 A 8 8 GLY C C 8 174.018 173.203 0.815 2
1 9 . 1 1 A 8 8 GLY CA C 8 45.107 45.419 -0.311 2
1 10 . 1 1 A 8 8 GLY N N 8 108.415 109.410 -0.995 2
1 11 . 1 1 A 9 9 GLU H H 9 8.350 8.482 -0.132 2
1 12 . 1 1 A 9 9 GLU HA H 9 4.173 4.916 -0.743 2
1 17 . 1 1 A 9 9 GLU C C 9 176.393 175.362 1.031 2
1 18 . 1 1 A 9 9 GLU CA C 9 56.942 55.470 1.472 2
1 19 . 1 1 A 9 9 GLU CB C 9 30.240 31.238 -0.998 2
1 21 . 1 1 A 9 9 GLU N N 9 120.444 119.174 1.270 2
1 22 . 1 1 A 10 10 LYS H H 10 8.332 8.348 -0.016 2
1 23 . 1 1 A 10 10 LYS HA H 10 4.543 4.943 -0.400 2
1 32 . 1 1 A 10 10 LYS C C 10 174.428 175.358 -0.930 2
1 33 . 1 1 A 10 10 LYS CA C 10 53.930 53.086 0.844 2
1 34 . 1 1 A 10 10 LYS CB C 10 33.487 34.912 -1.425 2
1 38 . 1 1 A 10 10 LYS N N 10 121.692 124.270 -2.578 2
1 39 . 1 1 A 11 11 PRO HA H 11 4.207 4.323 -0.116 2
1 46 . 1 1 A 11 11 PRO C C 11 176.513 175.846 0.667 2
1 47 . 1 1 A 11 11 PRO CA C 11 63.793 64.760 -0.967 2
1 48 . 1 1 A 11 11 PRO CB C 11 32.413 31.709 0.704 2
1 51 . 1 1 A 12 12 TYR H H 12 7.673 7.175 0.498 2
1 52 . 1 1 A 12 12 TYR HA H 12 4.713 4.797 -0.084 2
1 59 . 1 1 A 12 12 TYR C C 12 174.235 175.202 -0.967 2
1 60 . 1 1 A 12 12 TYR CA C 12 57.962 58.283 -0.321 2
1 61 . 1 1 A 12 12 TYR CB C 12 39.042 39.858 -0.816 2
1 66 . 1 1 A 12 12 TYR N N 12 117.472 118.245 -0.773 2
1 67 . 1 1 A 13 13 LYS H H 13 8.748 8.947 -0.199 2
1 68 . 1 1 A 13 13 LYS HA H 13 5.148 5.388 -0.240 2
1 77 . 1 1 A 13 13 LYS C C 13 174.652 174.858 -0.206 2
1 78 . 1 1 A 13 13 LYS CA C 13 54.661 54.630 0.031 2
1 79 . 1 1 A 13 13 LYS CB C 13 36.500 36.391 0.109 2
1 83 . 1 1 A 13 13 LYS N N 13 124.877 123.051 1.826 2
1 84 . 1 1 A 14 14 CYS H H 14 9.450 9.418 0.032 2
1 85 . 1 1 A 14 14 CYS HA H 14 4.588 4.721 -0.133 2
1 88 . 1 1 A 14 14 CYS C C 14 177.307 176.010 1.297 2
1 89 . 1 1 A 14 14 CYS CA C 14 59.198 58.464 0.734 2
1 90 . 1 1 A 14 14 CYS CB C 14 29.918 28.470 1.448 2
1 91 . 1 1 A 14 14 CYS N N 14 128.056 124.810 3.246 2
1 92 . 1 1 A 15 15 GLU H H 15 9.541 9.057 0.484 2
1 93 . 1 1 A 15 15 GLU HA H 15 4.161 4.160 0.001 2
1 98 . 1 1 A 15 15 GLU C C 15 176.855 178.697 -1.842 2
1 99 . 1 1 A 15 15 GLU CA C 15 58.462 59.358 -0.896 2
1 100 . 1 1 A 15 15 GLU CB C 15 29.612 29.512 0.100 2
1 102 . 1 1 A 15 15 GLU N N 15 131.947 128.005 3.942 2
1 103 . 1 1 A 16 16 THR H H 16 8.761 7.780 0.981 2
1 104 . 1 1 A 16 16 THR HA H 16 4.016 3.842 0.174 2
1 109 . 1 1 A 16 16 THR C C 16 174.867 175.657 -0.790 2
1 110 . 1 1 A 16 16 THR CA C 16 66.144 66.300 -0.156 2
1 111 . 1 1 A 16 16 THR CB C 16 68.802 68.377 0.425 2
1 113 . 1 1 A 16 16 THR N N 16 118.440 117.391 1.049 2
1 114 . 1 1 A 17 17 CYS H H 17 8.259 7.460 0.799 2
1 115 . 1 1 A 17 17 CYS HA H 17 5.198 4.677 0.521 2
1 118 . 1 1 A 17 17 CYS C C 17 176.245 175.736 0.509 2
1 119 . 1 1 A 17 17 CYS CA C 17 58.242 59.286 -1.044 2
1 120 . 1 1 A 17 17 CYS CB C 17 32.889 30.239 2.650 2
1 121 . 1 1 A 17 17 CYS N N 17 118.012 115.562 2.450 2
1 122 . 1 1 A 18 18 GLY H H 18 8.142 8.179 -0.037 2
1 123 . 1 1 A 18 18 GLY HA2 H 18 3.685 4.068 -0.383 2
1 124 . 1 1 A 18 18 GLY HA3 H 18 4.275 4.079 0.196 2
1 125 . 1 1 A 18 18 GLY C C 18 173.304 174.774 -1.470 2
1 126 . 1 1 A 18 18 GLY CA C 18 46.166 45.226 0.940 2
1 127 . 1 1 A 18 18 GLY N N 18 113.635 109.945 3.690 2
1 128 . 1 1 A 19 19 ALA H H 19 8.257 7.647 0.610 2
1 129 . 1 1 A 19 19 ALA HA H 19 4.006 4.304 -0.298 2
1 133 . 1 1 A 19 19 ALA C C 19 175.055 175.904 -0.849 2
1 134 . 1 1 A 19 19 ALA CA C 19 53.537 51.907 1.630 2
1 135 . 1 1 A 19 19 ALA CB C 19 19.738 20.297 -0.559 2
1 136 . 1 1 A 19 19 ALA N N 19 125.690 124.000 1.690 2
1 137 . 1 1 A 20 20 ARG H H 20 7.669 7.981 -0.312 2
1 138 . 1 1 A 20 20 ARG HA H 20 5.257 5.414 -0.157 2
1 145 . 1 1 A 20 20 ARG C C 20 175.609 174.506 1.103 2
1 146 . 1 1 A 20 20 ARG CA C 20 54.238 54.255 -0.017 2
1 147 . 1 1 A 20 20 ARG CB C 20 34.243 34.649 -0.406 2
1 150 . 1 1 A 20 20 ARG N N 20 117.237 116.804 0.433 2
1 151 . 1 1 A 21 21 PHE H H 21 8.754 9.011 -0.257 2
1 152 . 1 1 A 21 21 PHE HA H 21 4.856 4.971 -0.115 2
1 160 . 1 1 A 21 21 PHE C C 21 175.009 175.489 -0.480 2
1 161 . 1 1 A 21 21 PHE CA C 21 57.344 56.763 0.581 2
1 162 . 1 1 A 21 21 PHE CB C 21 44.452 43.240 1.212 2
1 168 . 1 1 A 21 21 PHE N N 21 116.093 119.095 -3.002 2
1 169 . 1 1 A 22 22 VAL H H 22 9.432 8.812 0.620 2
1 170 . 1 1 A 22 22 VAL HA H 22 4.298 4.120 0.178 2
1 178 . 1 1 A 22 22 VAL C C 22 175.477 175.421 0.056 2
1 179 . 1 1 A 22 22 VAL CA C 22 64.474 64.111 0.363 2
1 180 . 1 1 A 22 22 VAL CB C 22 33.259 32.888 0.371 2
1 183 . 1 1 A 22 22 VAL N N 22 119.283 121.617 -2.334 2
1 184 . 1 1 A 23 23 GLN H H 23 7.243 7.518 -0.275 2
1 185 . 1 1 A 23 23 GLN HA H 23 4.810 4.660 0.150 2
1 192 . 1 1 A 23 23 GLN C C 23 176.882 174.982 1.900 2
1 193 . 1 1 A 23 23 GLN CA C 23 53.454 53.732 -0.278 2
1 194 . 1 1 A 23 23 GLN CB C 23 30.682 30.998 -0.316 2
1 196 . 1 1 A 23 23 GLN N N 23 113.909 118.155 -4.246 2
1 198 . 1 1 A 24 24 VAL H H 24 8.554 7.705 0.849 2
1 199 . 1 1 A 24 24 VAL HA H 24 2.960 3.011 -0.051 2
1 207 . 1 1 A 24 24 VAL C C 24 177.337 177.137 0.200 2
1 208 . 1 1 A 24 24 VAL CA C 24 65.388 64.436 0.952 2
1 209 . 1 1 A 24 24 VAL CB C 24 30.927 31.206 -0.279 2
1 212 . 1 1 A 24 24 VAL N N 24 126.915 124.105 2.810 2
1 213 . 1 1 A 25 25 ALA H H 25 8.531 8.043 0.488 2
1 214 . 1 1 A 25 25 ALA HA H 25 3.933 3.953 -0.020 2
1 218 . 1 1 A 25 25 ALA C C 25 180.524 179.459 1.065 2
1 219 . 1 1 A 25 25 ALA CA C 25 55.073 54.959 0.114 2
1 220 . 1 1 A 25 25 ALA CB C 25 18.311 18.513 -0.202 2
1 221 . 1 1 A 25 25 ALA N N 25 122.114 122.636 -0.522 2
1 222 . 1 1 A 26 26 HIS H H 26 6.892 7.446 -0.554 2
1 223 . 1 1 A 26 26 HIS HA H 26 4.436 4.315 0.121 2
1 228 . 1 1 A 26 26 HIS C C 26 178.267 177.387 0.880 2
1 229 . 1 1 A 26 26 HIS CA C 26 56.426 59.438 -3.012 2
1 230 . 1 1 A 26 26 HIS CB C 26 31.750 30.639 1.111 2
1 233 . 1 1 A 26 26 HIS N N 26 115.625 115.162 0.463 2
1 234 . 1 1 A 27 27 LEU H H 27 6.854 7.490 -0.636 2
1 235 . 1 1 A 27 27 LEU HA H 27 3.189 2.268 0.921 2
1 245 . 1 1 A 27 27 LEU C C 27 177.246 178.156 -0.910 2
1 246 . 1 1 A 27 27 LEU CA C 27 57.874 57.487 0.387 2
1 247 . 1 1 A 27 27 LEU CB C 27 40.685 41.461 -0.776 2
1 251 . 1 1 A 27 27 LEU N N 27 122.027 120.418 1.609 2
1 252 . 1 1 A 28 28 ARG H H 28 8.252 8.736 -0.484 2
1 253 . 1 1 A 28 28 ARG HA H 28 3.867 4.060 -0.193 2
1 260 . 1 1 A 28 28 ARG C C 28 178.248 177.429 0.819 2
1 261 . 1 1 A 28 28 ARG CA C 28 59.410 57.984 1.426 2
1 262 . 1 1 A 28 28 ARG CB C 28 29.762 29.308 0.454 2
1 265 . 1 1 A 28 28 ARG N N 28 117.010 117.790 -0.780 2
1 266 . 1 1 A 29 29 ALA H H 29 7.223 7.684 -0.461 2
1 267 . 1 1 A 29 29 ALA HA H 29 4.146 4.208 -0.062 2
1 271 . 1 1 A 29 29 ALA C C 29 179.428 179.110 0.318 2
1 272 . 1 1 A 29 29 ALA CA C 29 54.170 53.430 0.740 2
1 273 . 1 1 A 29 29 ALA CB C 29 18.345 19.047 -0.702 2
1 274 . 1 1 A 29 29 ALA N N 29 118.170 120.868 -2.698 2
1 275 . 1 1 A 30 30 HIS H H 30 7.527 8.182 -0.655 2
1 276 . 1 1 A 30 30 HIS HA H 30 4.166 4.292 -0.126 2
1 281 . 1 1 A 30 30 HIS C C 30 176.978 177.067 -0.089 2
1 282 . 1 1 A 30 30 HIS CA C 30 59.490 58.883 0.607 2
1 283 . 1 1 A 30 30 HIS CB C 30 28.889 30.347 -1.458 2
1 286 . 1 1 A 30 30 HIS N N 30 118.012 118.810 -0.798 2
1 287 . 1 1 A 31 31 VAL H H 31 8.251 8.481 -0.230 2
1 288 . 1 1 A 31 31 VAL HA H 31 3.659 3.922 -0.263 2
1 296 . 1 1 A 31 31 VAL C C 31 177.594 177.806 -0.212 2
1 297 . 1 1 A 31 31 VAL CA C 31 65.958 65.569 0.389 2
1 298 . 1 1 A 31 31 VAL CB C 31 31.636 31.479 0.157 2
1 301 . 1 1 A 31 31 VAL N N 31 112.141 117.257 -5.116 2
1 302 . 1 1 A 32 32 LEU H H 32 6.906 7.893 -0.987 2
1 303 . 1 1 A 32 32 LEU HA H 32 4.135 4.036 0.099 2
1 313 . 1 1 A 32 32 LEU C C 32 179.626 179.283 0.343 2
1 314 . 1 1 A 32 32 LEU CA C 32 56.826 57.275 -0.449 2
1 315 . 1 1 A 32 32 LEU CB C 32 41.476 41.262 0.214 2
1 319 . 1 1 A 32 32 LEU N N 32 119.239 121.626 -2.387 2
1 320 . 1 1 A 33 33 ILE H H 33 7.880 7.602 0.278 2
1 321 . 1 1 A 33 33 ILE HA H 33 3.971 3.664 0.306 2
1 331 . 1 1 A 33 33 ILE C C 33 177.546 177.802 -0.256 2
1 332 . 1 1 A 33 33 ILE CA C 33 63.138 64.491 -1.353 2
1 333 . 1 1 A 33 33 ILE CB C 33 37.587 37.270 0.317 2
1 337 . 1 1 A 33 33 ILE N N 33 116.394 115.779 0.615 2
1 338 . 1 1 A 34 34 HIS H H 34 7.360 7.445 -0.085 2
1 339 . 1 1 A 34 34 HIS HA H 34 4.882 4.376 0.506 2
1 344 . 1 1 A 34 34 HIS C C 34 175.699 176.723 -1.024 2
1 345 . 1 1 A 34 34 HIS CA C 34 55.093 59.172 -4.080 2
1 346 . 1 1 A 34 34 HIS CB C 34 28.461 30.245 -1.784 2
1 349 . 1 1 A 34 34 HIS N N 34 117.627 120.474 -2.847 2
1 350 . 1 1 A 35 35 THR H H 35 7.805 7.546 0.259 2
1 351 . 1 1 A 35 35 THR HA H 35 4.368 4.118 0.250 2
1 356 . 1 1 A 35 35 THR C C 35 175.388 174.618 0.770 2
1 357 . 1 1 A 35 35 THR CA C 35 62.548 63.321 -0.773 2
1 358 . 1 1 A 35 35 THR CB C 35 69.779 68.772 1.007 2
1 360 . 1 1 A 35 35 THR N N 35 112.000 112.264 -0.264 2
1 361 . 1 1 A 36 36 GLY H H 36 8.335 8.288 0.047 2
1 362 . 1 1 A 36 36 GLY HA2 H 36 4.049 4.084 -0.035 2
1 363 . 1 1 A 36 36 GLY HA3 H 36 4.049 4.092 -0.043 2
1 364 . 1 1 A 36 36 GLY C C 36 174.188 173.531 0.657 2
1 365 . 1 1 A 36 36 GLY CA C 36 45.444 45.018 0.426 2
1 366 . 1 1 A 36 36 GLY N N 36 111.103 112.933 -1.830 2
1 367 . 1 1 A 37 37 SER H H 37 8.231 8.378 -0.147 2
1 368 . 1 1 A 37 37 SER HA H 37 4.521 4.627 -0.106 2
1 371 . 1 1 A 37 37 SER C C 37 174.567 174.209 0.358 2
1 372 . 1 1 A 37 37 SER CA C 37 58.242 58.288 -0.046 2
1 373 . 1 1 A 37 37 SER CB C 37 64.018 63.912 0.106 2
1 374 . 1 1 A 37 37 SER N N 37 115.371 116.411 -1.040 2
1 375 . 1 1 A 38 38 GLY H H 38 8.310 8.302 0.008 2
1 376 . 1 1 A 38 38 GLY HA2 H 38 4.158 4.048 0.110 2
1 377 . 1 1 A 38 38 GLY HA3 H 38 4.094 4.051 0.043 2
1 378 . 1 1 A 38 38 GLY C C 38 171.799 173.643 -1.844 2
1 379 . 1 1 A 38 38 GLY CA C 38 44.671 45.265 -0.594 2
1 380 . 1 1 A 38 38 GLY N N 38 110.735 111.000 -0.265 2
1 381 . 1 1 A 39 39 PRO HA H 39 4.476 4.545 -0.069 2
1 388 . 1 1 A 39 39 PRO C C 39 177.307 176.872 0.435 2
1 389 . 1 1 A 39 39 PRO CA C 39 63.131 63.295 -0.164 2
1 390 . 1 1 A 39 39 PRO CB C 39 32.207 31.756 0.451 2
1 393 . 1 1 A 40 40 SER H H 40 8.520 8.335 0.185 2
1 394 . 1 1 A 40 40 SER C C 40 174.611 174.247 0.364 2
1 395 . 1 1 A 40 40 SER CA C 40 58.516 58.665 -0.149 2
1 396 . 1 1 A 40 40 SER CB C 40 64.203 63.426 0.777 2
stop_
save_