data_10216_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10216
_Entry.PDB_ID 2EOF
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 4.049 4.347 -0.298 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.049 4.349 -0.300 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.520 172.745 1.775 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.474 46.078 -0.604 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.150 8.466 -0.316 1
1 6 . 1 1 1 A 8 8 THR HA H 8 4.390 5.066 -0.676 1
1 11 . 1 1 1 A 8 8 THR C C 8 175.239 173.525 1.714 1
1 12 . 1 1 1 A 8 8 THR CA C 8 61.894 60.362 1.532 1
1 13 . 1 1 1 A 8 8 THR CB C 8 69.895 70.737 -0.842 1
1 15 . 1 1 1 A 8 8 THR N N 8 112.793 113.578 -0.785 1
1 16 . 1 1 1 A 9 9 GLY H H 9 8.460 8.441 0.019 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 3.935 4.123 -0.188 1
1 18 . 1 1 1 A 9 9 GLY HA3 H 9 3.935 4.128 -0.193 1
1 19 . 1 1 1 A 9 9 GLY C C 9 174.058 172.605 1.453 1
1 20 . 1 1 1 A 9 9 GLY CA C 9 45.284 45.693 -0.409 1
1 21 . 1 1 1 A 9 9 GLY N N 9 110.999 110.858 0.141 1
1 22 . 1 1 1 A 10 10 GLU H H 10 8.232 8.743 -0.511 1
1 23 . 1 1 1 A 10 10 GLU HA H 10 4.221 4.640 -0.419 1
1 28 . 1 1 1 A 10 10 GLU C C 10 176.320 175.590 0.730 1
1 29 . 1 1 1 A 10 10 GLU CA C 10 56.807 55.790 1.017 1
1 30 . 1 1 1 A 10 10 GLU CB C 10 30.485 31.047 -0.562 1
1 32 . 1 1 1 A 10 10 GLU N N 10 120.268 122.762 -2.494 1
1 33 . 1 1 1 A 11 11 LYS H H 11 8.293 8.528 -0.235 1
1 34 . 1 1 1 A 11 11 LYS HA H 11 4.511 4.811 -0.300 1
1 43 . 1 1 1 A 11 11 LYS C C 11 173.935 176.409 -2.474 1
1 44 . 1 1 1 A 11 11 LYS CA C 11 53.941 53.182 0.759 1
1 45 . 1 1 1 A 11 11 LYS CB C 11 32.968 33.456 -0.488 1
1 49 . 1 1 1 A 11 11 LYS N N 11 121.633 123.922 -2.289 1
1 50 . 1 1 1 A 12 12 PRO HA H 12 4.311 4.384 -0.073 1
1 57 . 1 1 1 A 12 12 PRO C C 12 176.347 175.571 0.776 1
1 58 . 1 1 1 A 12 12 PRO CA C 12 63.422 63.878 -0.456 1
1 59 . 1 1 1 A 12 12 PRO CB C 12 32.261 31.211 1.050 1
1 62 . 1 1 1 A 13 13 TYR H H 13 8.065 7.424 0.641 1
1 63 . 1 1 1 A 13 13 TYR HA H 13 4.593 5.214 -0.621 1
1 70 . 1 1 1 A 13 13 TYR C C 13 174.711 175.310 -0.599 1
1 71 . 1 1 1 A 13 13 TYR CA C 13 57.524 57.161 0.363 1
1 72 . 1 1 1 A 13 13 TYR CB C 13 38.493 40.862 -2.369 1
1 77 . 1 1 1 A 13 13 TYR N N 13 118.480 119.300 -0.820 1
1 78 . 1 1 1 A 14 14 GLU H H 14 8.555 8.854 -0.299 1
1 79 . 1 1 1 A 14 14 GLU HA H 14 4.830 5.153 -0.323 1
1 84 . 1 1 1 A 14 14 GLU C C 14 175.283 175.433 -0.150 1
1 85 . 1 1 1 A 14 14 GLU CA C 14 55.294 54.735 0.559 1
1 86 . 1 1 1 A 14 14 GLU CB C 14 32.651 33.384 -0.733 1
1 88 . 1 1 1 A 14 14 GLU N N 14 124.223 122.271 1.952 1
1 89 . 1 1 1 A 15 15 CYS H H 15 9.054 8.861 0.193 1
1 90 . 1 1 1 A 15 15 CYS HA H 15 4.519 4.593 -0.074 1
1 93 . 1 1 1 A 15 15 CYS C C 15 176.371 176.000 0.371 1
1 94 . 1 1 1 A 15 15 CYS CA C 15 59.775 59.530 0.245 1
1 95 . 1 1 1 A 15 15 CYS CB C 15 29.834 28.340 1.494 1
1 96 . 1 1 1 A 15 15 CYS N N 15 126.124 124.312 1.812 1
1 97 . 1 1 1 A 16 16 ASN H H 16 9.145 9.166 -0.021 1
1 98 . 1 1 1 A 16 16 ASN HA H 16 4.664 5.011 -0.347 1
1 103 . 1 1 1 A 16 16 ASN C C 16 175.434 176.154 -0.720 1
1 104 . 1 1 1 A 16 16 ASN CA C 16 55.450 52.457 2.993 1
1 105 . 1 1 1 A 16 16 ASN CB C 16 38.367 38.698 -0.331 1
1 106 . 1 1 1 A 16 16 ASN N N 16 128.375 126.519 1.856 1
1 108 . 1 1 1 A 17 17 GLU H H 17 8.940 8.069 0.871 1
1 109 . 1 1 1 A 17 17 GLU HA H 17 4.309 4.505 -0.196 1
1 114 . 1 1 1 A 17 17 GLU C C 17 176.943 177.799 -0.856 1
1 115 . 1 1 1 A 17 17 GLU CA C 17 58.075 57.208 0.867 1
1 116 . 1 1 1 A 17 17 GLU CB C 17 30.005 32.102 -2.097 1
1 118 . 1 1 1 A 17 17 GLU N N 17 121.278 119.609 1.669 1
1 119 . 1 1 1 A 18 18 CYS H H 18 7.884 8.104 -0.220 1
1 120 . 1 1 1 A 18 18 CYS HA H 18 5.030 4.533 0.497 1
1 123 . 1 1 1 A 18 18 CYS C C 18 174.784 174.614 0.170 1
1 124 . 1 1 1 A 18 18 CYS CA C 18 58.712 58.383 0.329 1
1 125 . 1 1 1 A 18 18 CYS CB C 18 31.646 29.327 2.319 1
1 126 . 1 1 1 A 18 18 CYS N N 18 116.336 114.688 1.648 1
1 127 . 1 1 1 A 19 19 GLN H H 19 8.117 7.670 0.447 1
1 128 . 1 1 1 A 19 19 GLN HA H 19 4.176 4.258 -0.082 1
1 135 . 1 1 1 A 19 19 GLN C C 19 175.071 174.047 1.024 1
1 136 . 1 1 1 A 19 19 GLN CA C 19 58.561 56.936 1.625 1
1 137 . 1 1 1 A 19 19 GLN CB C 19 26.375 26.197 0.178 1
1 139 . 1 1 1 A 19 19 GLN N N 19 116.253 116.507 -0.254 1
1 141 . 1 1 1 A 20 20 LYS H H 20 7.920 7.970 -0.050 1
1 142 . 1 1 1 A 20 20 LYS HA H 20 4.106 4.694 -0.588 1
1 151 . 1 1 1 A 20 20 LYS C C 20 173.942 175.858 -1.916 1
1 152 . 1 1 1 A 20 20 LYS CA C 20 57.784 54.767 3.017 1
1 153 . 1 1 1 A 20 20 LYS CB C 20 34.257 34.644 -0.387 1
1 157 . 1 1 1 A 20 20 LYS N N 20 121.537 119.290 2.247 1
1 158 . 1 1 1 A 21 21 ALA H H 21 7.796 8.558 -0.762 1
1 159 . 1 1 1 A 21 21 ALA HA H 21 5.070 4.980 0.090 1
1 163 . 1 1 1 A 21 21 ALA C C 21 176.123 177.172 -1.049 1
1 164 . 1 1 1 A 21 21 ALA CA C 21 50.530 52.239 -1.709 1
1 165 . 1 1 1 A 21 21 ALA CB C 21 22.271 19.762 2.509 1
1 166 . 1 1 1 A 21 21 ALA N N 21 123.395 129.165 -5.770 1
1 167 . 1 1 1 A 22 22 PHE H H 22 8.662 8.582 0.080 1
1 168 . 1 1 1 A 22 22 PHE HA H 22 4.679 4.901 -0.222 1
1 176 . 1 1 1 A 22 22 PHE C C 22 175.069 175.969 -0.900 1
1 177 . 1 1 1 A 22 22 PHE CA C 22 57.458 56.886 0.572 1
1 178 . 1 1 1 A 22 22 PHE CB C 22 44.024 43.912 0.112 1
1 184 . 1 1 1 A 22 22 PHE N N 22 116.451 118.626 -2.175 1
1 185 . 1 1 1 A 23 23 ASN HA H 23 4.887 4.746 0.141 1
1 190 . 1 1 1 A 23 23 ASN C C 23 175.404 175.630 -0.226 1
1 191 . 1 1 1 A 23 23 ASN CA C 23 55.197 55.443 -0.246 1
1 192 . 1 1 1 A 23 23 ASN CB C 23 39.066 38.635 0.431 1
1 194 . 1 1 1 A 24 24 THR H H 24 7.425 7.690 -0.265 1
1 195 . 1 1 1 A 24 24 THR HA H 24 4.766 4.436 0.330 1
1 200 . 1 1 1 A 24 24 THR C C 24 173.616 174.638 -1.022 1
1 201 . 1 1 1 A 24 24 THR CA C 24 58.695 58.937 -0.242 1
1 202 . 1 1 1 A 24 24 THR CB C 24 72.730 71.659 1.071 1
1 204 . 1 1 1 A 24 24 THR N N 24 106.491 109.809 -3.318 1
1 205 . 1 1 1 A 25 25 LYS H H 25 8.323 8.297 0.026 1
1 206 . 1 1 1 A 25 25 LYS HA H 25 3.194 3.433 -0.239 1
1 215 . 1 1 1 A 25 25 LYS C C 25 178.784 178.238 0.546 1
1 216 . 1 1 1 A 25 25 LYS CA C 25 58.821 59.540 -0.719 1
1 217 . 1 1 1 A 25 25 LYS CB C 25 31.835 32.097 -0.262 1
1 221 . 1 1 1 A 25 25 LYS N N 25 124.117 122.846 1.271 1
1 222 . 1 1 1 A 26 26 SER H H 26 8.351 7.977 0.374 1
1 223 . 1 1 1 A 26 26 SER HA H 26 4.066 4.041 0.025 1
1 226 . 1 1 1 A 26 26 SER C C 26 176.574 176.603 -0.029 1
1 227 . 1 1 1 A 26 26 SER CA C 26 61.540 61.853 -0.313 1
1 228 . 1 1 1 A 26 26 SER CB C 26 62.205 62.484 -0.279 1
1 229 . 1 1 1 A 26 26 SER N N 26 113.534 116.857 -3.323 1
1 230 . 1 1 1 A 27 27 ASN H H 27 7.720 7.929 -0.209 1
1 231 . 1 1 1 A 27 27 ASN HA H 27 4.461 4.392 0.069 1
1 236 . 1 1 1 A 27 27 ASN C C 27 178.233 177.661 0.572 1
1 237 . 1 1 1 A 27 27 ASN CA C 27 55.387 56.260 -0.873 1
1 238 . 1 1 1 A 27 27 ASN CB C 27 37.652 38.268 -0.616 1
1 239 . 1 1 1 A 27 27 ASN N N 27 119.042 120.735 -1.693 1
1 241 . 1 1 1 A 28 28 LEU H H 28 7.445 7.378 0.067 1
1 242 . 1 1 1 A 28 28 LEU HA H 28 3.276 3.117 0.159 1
1 252 . 1 1 1 A 28 28 LEU C C 28 177.423 178.384 -0.961 1
1 253 . 1 1 1 A 28 28 LEU CA C 28 58.231 57.749 0.482 1
1 254 . 1 1 1 A 28 28 LEU CB C 28 40.386 41.410 -1.024 1
1 258 . 1 1 1 A 28 28 LEU N N 28 122.869 121.151 1.718 1
1 259 . 1 1 1 A 29 29 MET H H 29 8.332 8.571 -0.239 1
1 260 . 1 1 1 A 29 29 MET HA H 29 4.187 3.990 0.197 1
1 268 . 1 1 1 A 29 29 MET C C 29 179.451 178.730 0.721 1
1 269 . 1 1 1 A 29 29 MET CA C 29 59.047 58.917 0.130 1
1 270 . 1 1 1 A 29 29 MET CB C 29 32.224 32.203 0.021 1
1 273 . 1 1 1 A 29 29 MET N N 29 118.924 117.351 1.573 1
1 274 . 1 1 1 A 30 30 VAL H H 30 7.797 7.819 -0.022 1
1 275 . 1 1 1 A 30 30 VAL HA H 30 3.523 3.569 -0.046 1
1 283 . 1 1 1 A 30 30 VAL C C 30 179.004 178.304 0.700 1
1 284 . 1 1 1 A 30 30 VAL CA C 30 66.614 66.123 0.491 1
1 285 . 1 1 1 A 30 30 VAL CB C 30 32.139 31.426 0.713 1
1 288 . 1 1 1 A 30 30 VAL N N 30 119.346 119.759 -0.413 1
1 289 . 1 1 1 A 31 31 HIS H H 31 7.373 8.297 -0.924 1
1 290 . 1 1 1 A 31 31 HIS HA H 31 4.217 4.008 0.209 1
1 295 . 1 1 1 A 31 31 HIS C C 31 178.166 176.972 1.194 1
1 296 . 1 1 1 A 31 31 HIS CA C 31 59.194 58.804 0.390 1
1 297 . 1 1 1 A 31 31 HIS CB C 31 28.095 29.703 -1.608 1
1 300 . 1 1 1 A 31 31 HIS N N 31 119.317 119.420 -0.103 1
1 301 . 1 1 1 A 32 32 GLN H H 32 8.912 7.468 1.444 1
1 302 . 1 1 1 A 32 32 GLN HA H 32 3.660 4.050 -0.390 1
1 309 . 1 1 1 A 32 32 GLN C C 32 177.784 178.594 -0.810 1
1 310 . 1 1 1 A 32 32 GLN CA C 32 59.952 59.048 0.904 1
1 311 . 1 1 1 A 32 32 GLN CB C 32 28.263 28.689 -0.426 1
1 313 . 1 1 1 A 32 32 GLN N N 32 120.179 118.310 1.869 1
1 315 . 1 1 1 A 33 33 ARG H H 33 7.262 7.614 -0.352 1
1 316 . 1 1 1 A 33 33 ARG HA H 33 4.208 4.093 0.115 1
1 323 . 1 1 1 A 33 33 ARG C C 33 178.239 178.484 -0.245 1
1 324 . 1 1 1 A 33 33 ARG CA C 33 58.523 58.895 -0.372 1
1 325 . 1 1 1 A 33 33 ARG CB C 33 29.988 29.868 0.120 1
1 328 . 1 1 1 A 33 33 ARG N N 33 117.576 118.734 -1.158 1
1 329 . 1 1 1 A 34 34 THR H H 34 7.797 8.028 -0.231 1
1 330 . 1 1 1 A 34 34 THR HA H 34 4.142 4.023 0.119 1
1 335 . 1 1 1 A 34 34 THR C C 34 175.641 176.281 -0.640 1
1 336 . 1 1 1 A 34 34 THR CA C 34 63.920 65.123 -1.203 1
1 337 . 1 1 1 A 34 34 THR CB C 34 69.413 68.505 0.908 1
1 339 . 1 1 1 A 34 34 THR N N 34 109.658 115.153 -5.495 1
1 340 . 1 1 1 A 35 35 HIS H H 35 7.215 7.750 -0.535 1
1 341 . 1 1 1 A 35 35 HIS HA H 35 4.852 4.261 0.591 1
1 346 . 1 1 1 A 35 35 HIS C C 35 175.704 176.523 -0.819 1
1 347 . 1 1 1 A 35 35 HIS CA C 35 55.632 59.043 -3.411 1
1 348 . 1 1 1 A 35 35 HIS CB C 35 28.783 29.807 -1.024 1
1 351 . 1 1 1 A 35 35 HIS N N 35 118.639 119.568 -0.929 1
1 352 . 1 1 1 A 36 36 THR H H 36 7.818 7.685 0.133 1
1 353 . 1 1 1 A 36 36 THR HA H 36 4.397 4.411 -0.014 1
1 358 . 1 1 1 A 36 36 THR C C 36 175.429 174.002 1.427 1
1 359 . 1 1 1 A 36 36 THR CA C 36 62.294 61.765 0.529 1
1 360 . 1 1 1 A 36 36 THR CB C 36 69.885 69.242 0.643 1
1 362 . 1 1 1 A 36 36 THR N N 36 111.712 111.667 0.045 1
1 363 . 1 1 1 A 37 37 GLY H H 37 8.273 8.359 -0.086 1
1 364 . 1 1 1 A 37 37 GLY HA2 H 37 4.055 4.152 -0.097 1
1 365 . 1 1 1 A 37 37 GLY HA3 H 37 3.985 4.154 -0.169 1
1 366 . 1 1 1 A 37 37 GLY C C 37 174.325 173.695 0.630 1
1 367 . 1 1 1 A 37 37 GLY CA C 37 45.477 45.920 -0.443 1
1 368 . 1 1 1 A 37 37 GLY N N 37 110.839 114.000 -3.161 1
1 369 . 1 1 1 A 38 38 GLU H H 38 8.210 8.113 0.097 1
1 370 . 1 1 1 A 38 38 GLU HA H 38 4.330 4.267 0.063 1
1 375 . 1 1 1 A 38 38 GLU C C 38 176.563 175.854 0.709 1
1 376 . 1 1 1 A 38 38 GLU CA C 38 56.675 57.574 -0.899 1
1 377 . 1 1 1 A 38 38 GLU CB C 38 30.528 30.558 -0.030 1
1 379 . 1 1 1 A 38 38 GLU N N 38 120.721 125.995 -5.274 1
1 380 . 1 1 1 A 39 39 SER H H 39 8.419 8.643 -0.224 1
1 381 . 1 1 1 A 39 39 SER HA H 39 4.499 4.376 0.123 1
1 384 . 1 1 1 A 39 39 SER C C 39 174.576 174.326 0.250 1
1 385 . 1 1 1 A 39 39 SER CA C 39 58.389 59.642 -1.253 1
1 386 . 1 1 1 A 39 39 SER CB C 39 64.005 62.879 1.126 1
1 387 . 1 1 1 A 39 39 SER N N 39 116.775 121.289 -4.514 1
1 388 . 1 1 1 A 40 40 GLY H H 40 8.241 8.362 -0.121 1
1 389 . 1 1 1 A 40 40 GLY HA2 H 40 4.166 4.142 0.024 1
1 390 . 1 1 1 A 40 40 GLY HA3 H 40 4.077 4.150 -0.073 1
1 391 . 1 1 1 A 40 40 GLY C C 40 171.716 172.766 -1.050 1
1 392 . 1 1 1 A 40 40 GLY CA C 40 44.659 46.032 -1.373 1
1 393 . 1 1 1 A 40 40 GLY N N 40 110.604 110.880 -0.276 1
1 394 . 1 1 1 A 41 41 PRO HA H 41 4.486 4.600 -0.114 1
1 401 . 1 1 1 A 41 41 PRO C C 41 177.364 176.517 0.847 1
1 402 . 1 1 1 A 41 41 PRO CA C 41 63.199 62.775 0.424 1
1 403 . 1 1 1 A 41 41 PRO CB C 41 32.225 32.245 -0.020 1
1 406 . 1 1 1 A 42 42 SER H H 42 8.534 8.673 -0.139 1
1 407 . 1 1 1 A 42 42 SER C C 42 174.655 174.923 -0.268 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 4.049 4.087 -0.038 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.049 4.091 -0.042 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.520 174.168 0.352 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.474 45.938 -0.464 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.150 7.954 0.196 1
1 6 . 2 1 1 A 8 8 THR HA H 8 4.390 4.831 -0.441 1
1 11 . 2 1 1 A 8 8 THR C C 8 175.239 174.347 0.892 1
1 12 . 2 1 1 A 8 8 THR CA C 8 61.894 60.623 1.271 1
1 13 . 2 1 1 A 8 8 THR CB C 8 69.895 71.452 -1.557 1
1 15 . 2 1 1 A 8 8 THR N N 8 112.793 115.070 -2.277 1
1 16 . 2 1 1 A 9 9 GLY H H 9 8.460 8.308 0.152 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 3.935 4.194 -0.259 1
1 18 . 2 1 1 A 9 9 GLY HA3 H 9 3.935 4.194 -0.259 1
1 19 . 2 1 1 A 9 9 GLY C C 9 174.058 173.190 0.868 1
1 20 . 2 1 1 A 9 9 GLY CA C 9 45.284 44.587 0.697 1
1 21 . 2 1 1 A 9 9 GLY N N 9 110.999 112.689 -1.690 1
1 22 . 2 1 1 A 10 10 GLU H H 10 8.232 8.397 -0.165 1
1 23 . 2 1 1 A 10 10 GLU HA H 10 4.221 5.059 -0.838 1
1 28 . 2 1 1 A 10 10 GLU C C 10 176.320 175.389 0.931 1
1 29 . 2 1 1 A 10 10 GLU CA C 10 56.807 54.932 1.875 1
1 30 . 2 1 1 A 10 10 GLU CB C 10 30.485 32.306 -1.821 1
1 32 . 2 1 1 A 10 10 GLU N N 10 120.268 119.038 1.230 1
1 33 . 2 1 1 A 11 11 LYS H H 11 8.293 8.484 -0.191 1
1 34 . 2 1 1 A 11 11 LYS HA H 11 4.511 4.832 -0.321 1
1 43 . 2 1 1 A 11 11 LYS C C 11 173.935 176.131 -2.196 1
1 44 . 2 1 1 A 11 11 LYS CA C 11 53.941 53.063 0.878 1
1 45 . 2 1 1 A 11 11 LYS CB C 11 32.968 34.163 -1.195 1
1 49 . 2 1 1 A 11 11 LYS N N 11 121.633 119.332 2.301 1
1 50 . 2 1 1 A 12 12 PRO HA H 12 4.311 4.363 -0.052 1
1 57 . 2 1 1 A 12 12 PRO C C 12 176.347 175.510 0.837 1
1 58 . 2 1 1 A 12 12 PRO CA C 12 63.422 63.823 -0.401 1
1 59 . 2 1 1 A 12 12 PRO CB C 12 32.261 31.246 1.015 1
1 62 . 2 1 1 A 13 13 TYR H H 13 8.065 7.415 0.650 1
1 63 . 2 1 1 A 13 13 TYR HA H 13 4.593 5.243 -0.650 1
1 70 . 2 1 1 A 13 13 TYR C C 13 174.711 174.883 -0.172 1
1 71 . 2 1 1 A 13 13 TYR CA C 13 57.524 57.259 0.265 1
1 72 . 2 1 1 A 13 13 TYR CB C 13 38.493 41.447 -2.954 1
1 77 . 2 1 1 A 13 13 TYR N N 13 118.480 119.086 -0.606 1
1 78 . 2 1 1 A 14 14 GLU H H 14 8.555 8.805 -0.250 1
1 79 . 2 1 1 A 14 14 GLU HA H 14 4.830 5.060 -0.230 1
1 84 . 2 1 1 A 14 14 GLU C C 14 175.283 174.607 0.676 1
1 85 . 2 1 1 A 14 14 GLU CA C 14 55.294 54.924 0.370 1
1 86 . 2 1 1 A 14 14 GLU CB C 14 32.651 34.299 -1.648 1
1 88 . 2 1 1 A 14 14 GLU N N 14 124.223 121.644 2.579 1
1 89 . 2 1 1 A 15 15 CYS H H 15 9.054 8.603 0.451 1
1 90 . 2 1 1 A 15 15 CYS HA H 15 4.519 4.982 -0.463 1
1 93 . 2 1 1 A 15 15 CYS C C 15 176.371 175.970 0.401 1
1 94 . 2 1 1 A 15 15 CYS CA C 15 59.775 57.847 1.928 1
1 95 . 2 1 1 A 15 15 CYS CB C 15 29.834 29.717 0.117 1
1 96 . 2 1 1 A 15 15 CYS N N 15 126.124 122.174 3.950 1
1 97 . 2 1 1 A 16 16 ASN H H 16 9.145 9.127 0.018 1
1 98 . 2 1 1 A 16 16 ASN HA H 16 4.664 4.986 -0.322 1
1 103 . 2 1 1 A 16 16 ASN C C 16 175.434 175.606 -0.172 1
1 104 . 2 1 1 A 16 16 ASN CA C 16 55.450 53.242 2.208 1
1 105 . 2 1 1 A 16 16 ASN CB C 16 38.367 39.067 -0.700 1
1 106 . 2 1 1 A 16 16 ASN N N 16 128.375 126.142 2.233 1
1 108 . 2 1 1 A 17 17 GLU H H 17 8.940 7.961 0.979 1
1 109 . 2 1 1 A 17 17 GLU HA H 17 4.309 4.476 -0.167 1
1 114 . 2 1 1 A 17 17 GLU C C 17 176.943 177.629 -0.686 1
1 115 . 2 1 1 A 17 17 GLU CA C 17 58.075 57.377 0.698 1
1 116 . 2 1 1 A 17 17 GLU CB C 17 30.005 31.893 -1.888 1
1 118 . 2 1 1 A 17 17 GLU N N 17 121.278 117.492 3.786 1
1 119 . 2 1 1 A 18 18 CYS H H 18 7.884 8.059 -0.175 1
1 120 . 2 1 1 A 18 18 CYS HA H 18 5.030 4.496 0.534 1
1 123 . 2 1 1 A 18 18 CYS C C 18 174.784 174.570 0.214 1
1 124 . 2 1 1 A 18 18 CYS CA C 18 58.712 58.841 -0.129 1
1 125 . 2 1 1 A 18 18 CYS CB C 18 31.646 28.896 2.750 1
1 126 . 2 1 1 A 18 18 CYS N N 18 116.336 114.631 1.705 1
1 127 . 2 1 1 A 19 19 GLN H H 19 8.117 7.972 0.145 1
1 128 . 2 1 1 A 19 19 GLN HA H 19 4.176 4.174 0.002 1
1 135 . 2 1 1 A 19 19 GLN C C 19 175.071 173.911 1.160 1
1 136 . 2 1 1 A 19 19 GLN CA C 19 58.561 57.039 1.522 1
1 137 . 2 1 1 A 19 19 GLN CB C 19 26.375 26.117 0.258 1
1 139 . 2 1 1 A 19 19 GLN N N 19 116.253 116.610 -0.357 1
1 141 . 2 1 1 A 20 20 LYS H H 20 7.920 7.854 0.066 1
1 142 . 2 1 1 A 20 20 LYS HA H 20 4.106 4.676 -0.570 1
1 151 . 2 1 1 A 20 20 LYS C C 20 173.942 175.580 -1.638 1
1 152 . 2 1 1 A 20 20 LYS CA C 20 57.784 54.882 2.902 1
1 153 . 2 1 1 A 20 20 LYS CB C 20 34.257 34.501 -0.244 1
1 157 . 2 1 1 A 20 20 LYS N N 20 121.537 119.131 2.406 1
1 158 . 2 1 1 A 21 21 ALA H H 21 7.796 8.626 -0.830 1
1 159 . 2 1 1 A 21 21 ALA HA H 21 5.070 4.907 0.163 1
1 163 . 2 1 1 A 21 21 ALA C C 21 176.123 176.977 -0.854 1
1 164 . 2 1 1 A 21 21 ALA CA C 21 50.530 52.118 -1.588 1
1 165 . 2 1 1 A 21 21 ALA CB C 21 22.271 20.024 2.247 1
1 166 . 2 1 1 A 21 21 ALA N N 21 123.395 129.488 -6.093 1
1 167 . 2 1 1 A 22 22 PHE H H 22 8.662 8.851 -0.189 1
1 168 . 2 1 1 A 22 22 PHE HA H 22 4.679 4.924 -0.245 1
1 176 . 2 1 1 A 22 22 PHE C C 22 175.069 176.023 -0.954 1
1 177 . 2 1 1 A 22 22 PHE CA C 22 57.458 56.823 0.635 1
1 178 . 2 1 1 A 22 22 PHE CB C 22 44.024 43.812 0.212 1
1 184 . 2 1 1 A 22 22 PHE N N 22 116.451 118.604 -2.153 1
1 185 . 2 1 1 A 23 23 ASN HA H 23 4.887 4.802 0.085 1
1 190 . 2 1 1 A 23 23 ASN C C 23 175.404 175.717 -0.313 1
1 191 . 2 1 1 A 23 23 ASN CA C 23 55.197 55.842 -0.645 1
1 192 . 2 1 1 A 23 23 ASN CB C 23 39.066 38.351 0.715 1
1 194 . 2 1 1 A 24 24 THR H H 24 7.425 7.721 -0.296 1
1 195 . 2 1 1 A 24 24 THR HA H 24 4.766 4.346 0.420 1
1 200 . 2 1 1 A 24 24 THR C C 24 173.616 174.473 -0.857 1
1 201 . 2 1 1 A 24 24 THR CA C 24 58.695 58.889 -0.194 1
1 202 . 2 1 1 A 24 24 THR CB C 24 72.730 71.734 0.996 1
1 204 . 2 1 1 A 24 24 THR N N 24 106.491 110.013 -3.522 1
1 205 . 2 1 1 A 25 25 LYS H H 25 8.323 8.285 0.038 1
1 206 . 2 1 1 A 25 25 LYS HA H 25 3.194 3.453 -0.259 1
1 215 . 2 1 1 A 25 25 LYS C C 25 178.784 177.648 1.136 1
1 216 . 2 1 1 A 25 25 LYS CA C 25 58.821 59.559 -0.738 1
1 217 . 2 1 1 A 25 25 LYS CB C 25 31.835 32.029 -0.194 1
1 221 . 2 1 1 A 25 25 LYS N N 25 124.117 122.586 1.531 1
1 222 . 2 1 1 A 26 26 SER H H 26 8.351 7.863 0.488 1
1 223 . 2 1 1 A 26 26 SER HA H 26 4.066 4.011 0.055 1
1 226 . 2 1 1 A 26 26 SER C C 26 176.574 176.564 0.010 1
1 227 . 2 1 1 A 26 26 SER CA C 26 61.540 61.064 0.476 1
1 228 . 2 1 1 A 26 26 SER CB C 26 62.205 62.937 -0.732 1
1 229 . 2 1 1 A 26 26 SER N N 26 113.534 113.821 -0.287 1
1 230 . 2 1 1 A 27 27 ASN H H 27 7.720 7.841 -0.121 1
1 231 . 2 1 1 A 27 27 ASN HA H 27 4.461 4.576 -0.115 1
1 236 . 2 1 1 A 27 27 ASN C C 27 178.233 177.694 0.539 1
1 237 . 2 1 1 A 27 27 ASN CA C 27 55.387 56.078 -0.691 1
1 238 . 2 1 1 A 27 27 ASN CB C 27 37.652 38.708 -1.056 1
1 239 . 2 1 1 A 27 27 ASN N N 27 119.042 119.230 -0.188 1
1 241 . 2 1 1 A 28 28 LEU H H 28 7.445 7.626 -0.181 1
1 242 . 2 1 1 A 28 28 LEU HA H 28 3.276 3.100 0.176 1
1 252 . 2 1 1 A 28 28 LEU C C 28 177.423 178.031 -0.608 1
1 253 . 2 1 1 A 28 28 LEU CA C 28 58.231 57.338 0.893 1
1 254 . 2 1 1 A 28 28 LEU CB C 28 40.386 41.312 -0.926 1
1 258 . 2 1 1 A 28 28 LEU N N 28 122.869 120.426 2.443 1
1 259 . 2 1 1 A 29 29 MET H H 29 8.332 8.607 -0.275 1
1 260 . 2 1 1 A 29 29 MET HA H 29 4.187 4.112 0.075 1
1 268 . 2 1 1 A 29 29 MET C C 29 179.451 178.695 0.756 1
1 269 . 2 1 1 A 29 29 MET CA C 29 59.047 58.326 0.721 1
1 270 . 2 1 1 A 29 29 MET CB C 29 32.224 32.101 0.123 1
1 273 . 2 1 1 A 29 29 MET N N 29 118.924 117.630 1.294 1
1 274 . 2 1 1 A 30 30 VAL H H 30 7.797 7.743 0.054 1
1 275 . 2 1 1 A 30 30 VAL HA H 30 3.523 3.549 -0.026 1
1 283 . 2 1 1 A 30 30 VAL C C 30 179.004 178.174 0.830 1
1 284 . 2 1 1 A 30 30 VAL CA C 30 66.614 66.189 0.425 1
1 285 . 2 1 1 A 30 30 VAL CB C 30 32.139 31.641 0.498 1
1 288 . 2 1 1 A 30 30 VAL N N 30 119.346 120.723 -1.377 1
1 289 . 2 1 1 A 31 31 HIS H H 31 7.373 7.786 -0.413 1
1 290 . 2 1 1 A 31 31 HIS HA H 31 4.217 4.024 0.193 1
1 295 . 2 1 1 A 31 31 HIS C C 31 178.166 176.380 1.786 1
1 296 . 2 1 1 A 31 31 HIS CA C 31 59.194 59.709 -0.515 1
1 297 . 2 1 1 A 31 31 HIS CB C 31 28.095 29.758 -1.663 1
1 300 . 2 1 1 A 31 31 HIS N N 31 119.317 119.754 -0.437 1
1 301 . 2 1 1 A 32 32 GLN H H 32 8.912 8.315 0.597 1
1 302 . 2 1 1 A 32 32 GLN HA H 32 3.660 3.676 -0.016 1
1 309 . 2 1 1 A 32 32 GLN C C 32 177.784 178.456 -0.672 1
1 310 . 2 1 1 A 32 32 GLN CA C 32 59.952 59.136 0.816 1
1 311 . 2 1 1 A 32 32 GLN CB C 32 28.263 28.108 0.155 1
1 313 . 2 1 1 A 32 32 GLN N N 32 120.179 117.164 3.015 1
1 315 . 2 1 1 A 33 33 ARG H H 33 7.262 8.015 -0.753 1
1 316 . 2 1 1 A 33 33 ARG HA H 33 4.208 3.924 0.284 1
1 323 . 2 1 1 A 33 33 ARG C C 33 178.239 178.210 0.029 1
1 324 . 2 1 1 A 33 33 ARG CA C 33 58.523 59.189 -0.666 1
1 325 . 2 1 1 A 33 33 ARG CB C 33 29.988 29.844 0.144 1
1 328 . 2 1 1 A 33 33 ARG N N 33 117.576 119.472 -1.896 1
1 329 . 2 1 1 A 34 34 THR H H 34 7.797 8.238 -0.441 1
1 330 . 2 1 1 A 34 34 THR HA H 34 4.142 3.972 0.170 1
1 335 . 2 1 1 A 34 34 THR C C 34 175.641 176.769 -1.128 1
1 336 . 2 1 1 A 34 34 THR CA C 34 63.920 65.284 -1.364 1
1 337 . 2 1 1 A 34 34 THR CB C 34 69.413 67.951 1.462 1
1 339 . 2 1 1 A 34 34 THR N N 34 109.658 112.532 -2.874 1
1 340 . 2 1 1 A 35 35 HIS H H 35 7.215 7.698 -0.483 1
1 341 . 2 1 1 A 35 35 HIS HA H 35 4.852 4.244 0.608 1
1 346 . 2 1 1 A 35 35 HIS C C 35 175.704 176.682 -0.978 1
1 347 . 2 1 1 A 35 35 HIS CA C 35 55.632 58.548 -2.916 1
1 348 . 2 1 1 A 35 35 HIS CB C 35 28.783 29.815 -1.032 1
1 351 . 2 1 1 A 35 35 HIS N N 35 118.639 119.541 -0.902 1
1 352 . 2 1 1 A 36 36 THR H H 36 7.818 7.919 -0.101 1
1 353 . 2 1 1 A 36 36 THR HA H 36 4.397 4.019 0.378 1
1 358 . 2 1 1 A 36 36 THR C C 36 175.429 174.647 0.782 1
1 359 . 2 1 1 A 36 36 THR CA C 36 62.294 63.258 -0.964 1
1 360 . 2 1 1 A 36 36 THR CB C 36 69.885 68.912 0.973 1
1 362 . 2 1 1 A 36 36 THR N N 36 111.712 111.308 0.404 1
1 363 . 2 1 1 A 37 37 GLY H H 37 8.273 8.401 -0.128 1
1 364 . 2 1 1 A 37 37 GLY HA2 H 37 4.055 4.014 0.041 1
1 365 . 2 1 1 A 37 37 GLY HA3 H 37 3.985 4.014 -0.029 1
1 366 . 2 1 1 A 37 37 GLY C C 37 174.325 174.017 0.308 1
1 367 . 2 1 1 A 37 37 GLY CA C 37 45.477 45.518 -0.041 1
1 368 . 2 1 1 A 37 37 GLY N N 37 110.839 114.482 -3.643 1
1 369 . 2 1 1 A 38 38 GLU H H 38 8.210 7.928 0.282 1
1 370 . 2 1 1 A 38 38 GLU HA H 38 4.330 4.748 -0.418 1
1 375 . 2 1 1 A 38 38 GLU C C 38 176.563 174.942 1.621 1
1 376 . 2 1 1 A 38 38 GLU CA C 38 56.675 54.895 1.780 1
1 377 . 2 1 1 A 38 38 GLU CB C 38 30.528 32.502 -1.974 1
1 379 . 2 1 1 A 38 38 GLU N N 38 120.721 121.989 -1.268 1
1 380 . 2 1 1 A 39 39 SER H H 39 8.419 8.785 -0.366 1
1 381 . 2 1 1 A 39 39 SER HA H 39 4.499 5.136 -0.637 1
1 384 . 2 1 1 A 39 39 SER C C 39 174.576 174.234 0.342 1
1 385 . 2 1 1 A 39 39 SER CA C 39 58.389 57.249 1.140 1
1 386 . 2 1 1 A 39 39 SER CB C 39 64.005 66.139 -2.134 1
1 387 . 2 1 1 A 39 39 SER N N 39 116.775 118.644 -1.869 1
1 388 . 2 1 1 A 40 40 GLY H H 40 8.241 8.640 -0.399 1
1 389 . 2 1 1 A 40 40 GLY HA2 H 40 4.166 4.008 0.158 1
1 390 . 2 1 1 A 40 40 GLY HA3 H 40 4.077 4.010 0.067 1
1 391 . 2 1 1 A 40 40 GLY C C 40 171.716 173.240 -1.524 1
1 392 . 2 1 1 A 40 40 GLY CA C 40 44.659 44.934 -0.275 1
1 393 . 2 1 1 A 40 40 GLY N N 40 110.604 111.163 -0.559 1
1 394 . 2 1 1 A 41 41 PRO HA H 41 4.486 4.463 0.023 1
1 401 . 2 1 1 A 41 41 PRO C C 41 177.364 176.961 0.403 1
1 402 . 2 1 1 A 41 41 PRO CA C 41 63.199 62.837 0.362 1
1 403 . 2 1 1 A 41 41 PRO CB C 41 32.225 32.004 0.221 1
1 406 . 2 1 1 A 42 42 SER H H 42 8.534 8.553 -0.019 1
1 407 . 2 1 1 A 42 42 SER C C 42 174.655 174.410 0.245 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 4.049 3.804 0.245 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.049 3.804 0.245 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.520 173.724 0.796 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.474 47.151 -1.677 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.150 7.715 0.435 1
1 6 . 3 1 1 A 8 8 THR HA H 8 4.390 4.957 -0.567 1
1 11 . 3 1 1 A 8 8 THR C C 8 175.239 174.769 0.470 1
1 12 . 3 1 1 A 8 8 THR CA C 8 61.894 59.801 2.093 1
1 13 . 3 1 1 A 8 8 THR CB C 8 69.895 71.688 -1.793 1
1 15 . 3 1 1 A 8 8 THR N N 8 112.793 114.360 -1.567 1
1 16 . 3 1 1 A 9 9 GLY H H 9 8.460 8.598 -0.138 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 3.935 4.074 -0.139 1
1 18 . 3 1 1 A 9 9 GLY HA3 H 9 3.935 4.074 -0.139 1
1 19 . 3 1 1 A 9 9 GLY C C 9 174.058 173.074 0.984 1
1 20 . 3 1 1 A 9 9 GLY CA C 9 45.284 44.337 0.947 1
1 21 . 3 1 1 A 9 9 GLY N N 9 110.999 111.703 -0.704 1
1 22 . 3 1 1 A 10 10 GLU H H 10 8.232 8.534 -0.302 1
1 23 . 3 1 1 A 10 10 GLU HA H 10 4.221 4.961 -0.740 1
1 28 . 3 1 1 A 10 10 GLU C C 10 176.320 174.944 1.376 1
1 29 . 3 1 1 A 10 10 GLU CA C 10 56.807 55.032 1.775 1
1 30 . 3 1 1 A 10 10 GLU CB C 10 30.485 32.685 -2.200 1
1 32 . 3 1 1 A 10 10 GLU N N 10 120.268 119.822 0.446 1
1 33 . 3 1 1 A 11 11 LYS H H 11 8.293 8.912 -0.619 1
1 34 . 3 1 1 A 11 11 LYS HA H 11 4.511 4.704 -0.193 1
1 43 . 3 1 1 A 11 11 LYS C C 11 173.935 176.322 -2.387 1
1 44 . 3 1 1 A 11 11 LYS CA C 11 53.941 53.081 0.860 1
1 45 . 3 1 1 A 11 11 LYS CB C 11 32.968 33.323 -0.355 1
1 49 . 3 1 1 A 11 11 LYS N N 11 121.633 125.455 -3.822 1
1 50 . 3 1 1 A 12 12 PRO HA H 12 4.311 4.328 -0.017 1
1 57 . 3 1 1 A 12 12 PRO C C 12 176.347 175.596 0.751 1
1 58 . 3 1 1 A 12 12 PRO CA C 12 63.422 63.875 -0.453 1
1 59 . 3 1 1 A 12 12 PRO CB C 12 32.261 31.139 1.122 1
1 62 . 3 1 1 A 13 13 TYR H H 13 8.065 7.343 0.722 1
1 63 . 3 1 1 A 13 13 TYR HA H 13 4.593 5.286 -0.693 1
1 70 . 3 1 1 A 13 13 TYR C C 13 174.711 175.150 -0.439 1
1 71 . 3 1 1 A 13 13 TYR CA C 13 57.524 57.043 0.481 1
1 72 . 3 1 1 A 13 13 TYR CB C 13 38.493 40.704 -2.211 1
1 77 . 3 1 1 A 13 13 TYR N N 13 118.480 118.694 -0.214 1
1 78 . 3 1 1 A 14 14 GLU H H 14 8.555 8.711 -0.156 1
1 79 . 3 1 1 A 14 14 GLU HA H 14 4.830 5.247 -0.417 1
1 84 . 3 1 1 A 14 14 GLU C C 14 175.283 175.244 0.039 1
1 85 . 3 1 1 A 14 14 GLU CA C 14 55.294 54.983 0.311 1
1 86 . 3 1 1 A 14 14 GLU CB C 14 32.651 33.702 -1.051 1
1 88 . 3 1 1 A 14 14 GLU N N 14 124.223 122.443 1.780 1
1 89 . 3 1 1 A 15 15 CYS H H 15 9.054 9.415 -0.361 1
1 90 . 3 1 1 A 15 15 CYS HA H 15 4.519 4.584 -0.065 1
1 93 . 3 1 1 A 15 15 CYS C C 15 176.371 174.876 1.495 1
1 94 . 3 1 1 A 15 15 CYS CA C 15 59.775 59.257 0.518 1
1 95 . 3 1 1 A 15 15 CYS CB C 15 29.834 28.905 0.929 1
1 96 . 3 1 1 A 15 15 CYS N N 15 126.124 123.890 2.234 1
1 97 . 3 1 1 A 16 16 ASN H H 16 9.145 9.003 0.142 1
1 98 . 3 1 1 A 16 16 ASN HA H 16 4.664 5.057 -0.393 1
1 103 . 3 1 1 A 16 16 ASN C C 16 175.434 175.855 -0.421 1
1 104 . 3 1 1 A 16 16 ASN CA C 16 55.450 53.958 1.492 1
1 105 . 3 1 1 A 16 16 ASN CB C 16 38.367 40.573 -2.206 1
1 106 . 3 1 1 A 16 16 ASN N N 16 128.375 122.058 6.317 1
1 108 . 3 1 1 A 17 17 GLU H H 17 8.940 8.118 0.822 1
1 109 . 3 1 1 A 17 17 GLU HA H 17 4.309 4.197 0.112 1
1 114 . 3 1 1 A 17 17 GLU C C 17 176.943 177.969 -1.026 1
1 115 . 3 1 1 A 17 17 GLU CA C 17 58.075 58.495 -0.420 1
1 116 . 3 1 1 A 17 17 GLU CB C 17 30.005 30.224 -0.219 1
1 118 . 3 1 1 A 17 17 GLU N N 17 121.278 119.264 2.014 1
1 119 . 3 1 1 A 18 18 CYS H H 18 7.884 7.911 -0.027 1
1 120 . 3 1 1 A 18 18 CYS HA H 18 5.030 4.480 0.550 1
1 123 . 3 1 1 A 18 18 CYS C C 18 174.784 174.411 0.373 1
1 124 . 3 1 1 A 18 18 CYS CA C 18 58.712 59.025 -0.313 1
1 125 . 3 1 1 A 18 18 CYS CB C 18 31.646 28.550 3.096 1
1 126 . 3 1 1 A 18 18 CYS N N 18 116.336 115.386 0.950 1
1 127 . 3 1 1 A 19 19 GLN H H 19 8.117 7.965 0.152 1
1 128 . 3 1 1 A 19 19 GLN HA H 19 4.176 3.890 0.286 1
1 135 . 3 1 1 A 19 19 GLN C C 19 175.071 174.079 0.992 1
1 136 . 3 1 1 A 19 19 GLN CA C 19 58.561 56.867 1.694 1
1 137 . 3 1 1 A 19 19 GLN CB C 19 26.375 26.155 0.220 1
1 139 . 3 1 1 A 19 19 GLN N N 19 116.253 116.726 -0.473 1
1 141 . 3 1 1 A 20 20 LYS H H 20 7.920 7.966 -0.046 1
1 142 . 3 1 1 A 20 20 LYS HA H 20 4.106 4.730 -0.624 1
1 151 . 3 1 1 A 20 20 LYS C C 20 173.942 175.902 -1.960 1
1 152 . 3 1 1 A 20 20 LYS CA C 20 57.784 55.164 2.620 1
1 153 . 3 1 1 A 20 20 LYS CB C 20 34.257 34.834 -0.577 1
1 157 . 3 1 1 A 20 20 LYS N N 20 121.537 119.354 2.183 1
1 158 . 3 1 1 A 21 21 ALA H H 21 7.796 8.699 -0.903 1
1 159 . 3 1 1 A 21 21 ALA HA H 21 5.070 5.173 -0.103 1
1 163 . 3 1 1 A 21 21 ALA C C 21 176.123 176.905 -0.782 1
1 164 . 3 1 1 A 21 21 ALA CA C 21 50.530 52.106 -1.576 1
1 165 . 3 1 1 A 21 21 ALA CB C 21 22.271 20.123 2.148 1
1 166 . 3 1 1 A 21 21 ALA N N 21 123.395 128.487 -5.092 1
1 167 . 3 1 1 A 22 22 PHE H H 22 8.662 8.811 -0.149 1
1 168 . 3 1 1 A 22 22 PHE HA H 22 4.679 4.910 -0.231 1
1 176 . 3 1 1 A 22 22 PHE C C 22 175.069 176.183 -1.114 1
1 177 . 3 1 1 A 22 22 PHE CA C 22 57.458 56.335 1.123 1
1 178 . 3 1 1 A 22 22 PHE CB C 22 44.024 43.477 0.547 1
1 184 . 3 1 1 A 22 22 PHE N N 22 116.451 118.693 -2.242 1
1 185 . 3 1 1 A 23 23 ASN HA H 23 4.887 4.708 0.179 1
1 190 . 3 1 1 A 23 23 ASN C C 23 175.404 175.790 -0.386 1
1 191 . 3 1 1 A 23 23 ASN CA C 23 55.197 55.944 -0.747 1
1 192 . 3 1 1 A 23 23 ASN CB C 23 39.066 38.242 0.824 1
1 194 . 3 1 1 A 24 24 THR H H 24 7.425 7.747 -0.322 1
1 195 . 3 1 1 A 24 24 THR HA H 24 4.766 4.492 0.274 1
1 200 . 3 1 1 A 24 24 THR C C 24 173.616 174.579 -0.963 1
1 201 . 3 1 1 A 24 24 THR CA C 24 58.695 59.015 -0.320 1
1 202 . 3 1 1 A 24 24 THR CB C 24 72.730 71.617 1.113 1
1 204 . 3 1 1 A 24 24 THR N N 24 106.491 110.119 -3.628 1
1 205 . 3 1 1 A 25 25 LYS H H 25 8.323 8.135 0.188 1
1 206 . 3 1 1 A 25 25 LYS HA H 25 3.194 3.358 -0.164 1
1 215 . 3 1 1 A 25 25 LYS C C 25 178.784 178.145 0.639 1
1 216 . 3 1 1 A 25 25 LYS CA C 25 58.821 60.036 -1.215 1
1 217 . 3 1 1 A 25 25 LYS CB C 25 31.835 31.747 0.088 1
1 221 . 3 1 1 A 25 25 LYS N N 25 124.117 122.464 1.653 1
1 222 . 3 1 1 A 26 26 SER H H 26 8.351 8.017 0.334 1
1 223 . 3 1 1 A 26 26 SER HA H 26 4.066 4.042 0.024 1
1 226 . 3 1 1 A 26 26 SER C C 26 176.574 176.184 0.390 1
1 227 . 3 1 1 A 26 26 SER CA C 26 61.540 61.937 -0.397 1
1 228 . 3 1 1 A 26 26 SER CB C 26 62.205 62.428 -0.223 1
1 229 . 3 1 1 A 26 26 SER N N 26 113.534 116.556 -3.022 1
1 230 . 3 1 1 A 27 27 ASN H H 27 7.720 8.169 -0.449 1
1 231 . 3 1 1 A 27 27 ASN HA H 27 4.461 4.371 0.090 1
1 236 . 3 1 1 A 27 27 ASN C C 27 178.233 177.248 0.985 1
1 237 . 3 1 1 A 27 27 ASN CA C 27 55.387 56.831 -1.444 1
1 238 . 3 1 1 A 27 27 ASN CB C 27 37.652 39.268 -1.616 1
1 239 . 3 1 1 A 27 27 ASN N N 27 119.042 119.896 -0.854 1
1 241 . 3 1 1 A 28 28 LEU H H 28 7.445 7.458 -0.013 1
1 242 . 3 1 1 A 28 28 LEU HA H 28 3.276 3.047 0.229 1
1 252 . 3 1 1 A 28 28 LEU C C 28 177.423 178.340 -0.917 1
1 253 . 3 1 1 A 28 28 LEU CA C 28 58.231 58.066 0.165 1
1 254 . 3 1 1 A 28 28 LEU CB C 28 40.386 41.583 -1.197 1
1 258 . 3 1 1 A 28 28 LEU N N 28 122.869 120.025 2.844 1
1 259 . 3 1 1 A 29 29 MET H H 29 8.332 8.371 -0.039 1
1 260 . 3 1 1 A 29 29 MET HA H 29 4.187 3.984 0.203 1
1 268 . 3 1 1 A 29 29 MET C C 29 179.451 179.018 0.433 1
1 269 . 3 1 1 A 29 29 MET CA C 29 59.047 58.901 0.146 1
1 270 . 3 1 1 A 29 29 MET CB C 29 32.224 31.926 0.298 1
1 273 . 3 1 1 A 29 29 MET N N 29 118.924 117.376 1.548 1
1 274 . 3 1 1 A 30 30 VAL H H 30 7.797 7.864 -0.067 1
1 275 . 3 1 1 A 30 30 VAL HA H 30 3.523 3.495 0.028 1
1 283 . 3 1 1 A 30 30 VAL C C 30 179.004 178.278 0.726 1
1 284 . 3 1 1 A 30 30 VAL CA C 30 66.614 66.144 0.470 1
1 285 . 3 1 1 A 30 30 VAL CB C 30 32.139 31.548 0.591 1
1 288 . 3 1 1 A 30 30 VAL N N 30 119.346 119.606 -0.260 1
1 289 . 3 1 1 A 31 31 HIS H H 31 7.373 8.509 -1.136 1
1 290 . 3 1 1 A 31 31 HIS HA H 31 4.217 4.320 -0.103 1
1 295 . 3 1 1 A 31 31 HIS C C 31 178.166 177.045 1.121 1
1 296 . 3 1 1 A 31 31 HIS CA C 31 59.194 58.992 0.202 1
1 297 . 3 1 1 A 31 31 HIS CB C 31 28.095 29.771 -1.676 1
1 300 . 3 1 1 A 31 31 HIS N N 31 119.317 118.984 0.333 1
1 301 . 3 1 1 A 32 32 GLN H H 32 8.912 7.614 1.298 1
1 302 . 3 1 1 A 32 32 GLN HA H 32 3.660 4.073 -0.413 1
1 309 . 3 1 1 A 32 32 GLN C C 32 177.784 178.365 -0.581 1
1 310 . 3 1 1 A 32 32 GLN CA C 32 59.952 58.908 1.044 1
1 311 . 3 1 1 A 32 32 GLN CB C 32 28.263 28.992 -0.729 1
1 313 . 3 1 1 A 32 32 GLN N N 32 120.179 118.166 2.013 1
1 315 . 3 1 1 A 33 33 ARG H H 33 7.262 7.571 -0.309 1
1 316 . 3 1 1 A 33 33 ARG HA H 33 4.208 4.088 0.120 1
1 323 . 3 1 1 A 33 33 ARG C C 33 178.239 177.780 0.459 1
1 324 . 3 1 1 A 33 33 ARG CA C 33 58.523 58.466 0.057 1
1 325 . 3 1 1 A 33 33 ARG CB C 33 29.988 30.336 -0.348 1
1 328 . 3 1 1 A 33 33 ARG N N 33 117.576 118.853 -1.277 1
1 329 . 3 1 1 A 34 34 THR H H 34 7.797 7.978 -0.181 1
1 330 . 3 1 1 A 34 34 THR HA H 34 4.142 3.970 0.172 1
1 335 . 3 1 1 A 34 34 THR C C 34 175.641 176.699 -1.058 1
1 336 . 3 1 1 A 34 34 THR CA C 34 63.920 65.468 -1.548 1
1 337 . 3 1 1 A 34 34 THR CB C 34 69.413 68.001 1.412 1
1 339 . 3 1 1 A 34 34 THR N N 34 109.658 111.225 -1.567 1
1 340 . 3 1 1 A 35 35 HIS H H 35 7.215 8.087 -0.872 1
1 341 . 3 1 1 A 35 35 HIS HA H 35 4.852 4.116 0.736 1
1 346 . 3 1 1 A 35 35 HIS C C 35 175.704 177.917 -2.213 1
1 347 . 3 1 1 A 35 35 HIS CA C 35 55.632 59.184 -3.552 1
1 348 . 3 1 1 A 35 35 HIS CB C 35 28.783 30.063 -1.280 1
1 351 . 3 1 1 A 35 35 HIS N N 35 118.639 119.815 -1.176 1
1 352 . 3 1 1 A 36 36 THR H H 36 7.818 7.968 -0.150 1
1 353 . 3 1 1 A 36 36 THR HA H 36 4.397 4.102 0.295 1
1 358 . 3 1 1 A 36 36 THR C C 36 175.429 174.497 0.932 1
1 359 . 3 1 1 A 36 36 THR CA C 36 62.294 63.560 -1.266 1
1 360 . 3 1 1 A 36 36 THR CB C 36 69.885 69.635 0.250 1
1 362 . 3 1 1 A 36 36 THR N N 36 111.712 109.867 1.845 1
1 363 . 3 1 1 A 37 37 GLY H H 37 8.273 7.223 1.050 1
1 364 . 3 1 1 A 37 37 GLY HA2 H 37 4.055 4.067 -0.012 1
1 365 . 3 1 1 A 37 37 GLY HA3 H 37 3.985 4.073 -0.088 1
1 366 . 3 1 1 A 37 37 GLY C C 37 174.325 172.650 1.675 1
1 367 . 3 1 1 A 37 37 GLY CA C 37 45.477 43.939 1.538 1
1 368 . 3 1 1 A 37 37 GLY N N 37 110.839 108.909 1.930 1
1 369 . 3 1 1 A 38 38 GLU H H 38 8.210 8.323 -0.113 1
1 370 . 3 1 1 A 38 38 GLU HA H 38 4.330 4.174 0.156 1
1 375 . 3 1 1 A 38 38 GLU C C 38 176.563 176.159 0.404 1
1 376 . 3 1 1 A 38 38 GLU CA C 38 56.675 57.605 -0.930 1
1 377 . 3 1 1 A 38 38 GLU CB C 38 30.528 30.388 0.140 1
1 379 . 3 1 1 A 38 38 GLU N N 38 120.721 120.887 -0.166 1
1 380 . 3 1 1 A 39 39 SER H H 39 8.419 8.475 -0.056 1
1 381 . 3 1 1 A 39 39 SER HA H 39 4.499 4.476 0.023 1
1 384 . 3 1 1 A 39 39 SER C C 39 174.576 175.040 -0.464 1
1 385 . 3 1 1 A 39 39 SER CA C 39 58.389 60.112 -1.723 1
1 386 . 3 1 1 A 39 39 SER CB C 39 64.005 63.434 0.571 1
1 387 . 3 1 1 A 39 39 SER N N 39 116.775 122.620 -5.845 1
1 388 . 3 1 1 A 40 40 GLY H H 40 8.241 8.656 -0.415 1
1 389 . 3 1 1 A 40 40 GLY HA2 H 40 4.166 4.379 -0.213 1
1 390 . 3 1 1 A 40 40 GLY HA3 H 40 4.077 4.380 -0.303 1
1 391 . 3 1 1 A 40 40 GLY C C 40 171.716 171.869 -0.153 1
1 392 . 3 1 1 A 40 40 GLY CA C 40 44.659 44.091 0.568 1
1 393 . 3 1 1 A 40 40 GLY N N 40 110.604 113.524 -2.920 1
1 394 . 3 1 1 A 41 41 PRO HA H 41 4.486 4.551 -0.065 1
1 401 . 3 1 1 A 41 41 PRO C C 41 177.364 177.103 0.261 1
1 402 . 3 1 1 A 41 41 PRO CA C 41 63.199 62.643 0.556 1
1 403 . 3 1 1 A 41 41 PRO CB C 41 32.225 31.763 0.462 1
1 406 . 3 1 1 A 42 42 SER H H 42 8.534 8.275 0.259 1
1 407 . 3 1 1 A 42 42 SER C C 42 174.655 174.693 -0.038 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 4.049 4.257 -0.208 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.049 4.258 -0.209 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.520 172.326 2.194 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.474 46.115 -0.641 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.150 8.690 -0.540 1
1 6 . 4 1 1 A 8 8 THR HA H 8 4.390 5.237 -0.847 1
1 11 . 4 1 1 A 8 8 THR C C 8 175.239 174.146 1.093 1
1 12 . 4 1 1 A 8 8 THR CA C 8 61.894 59.484 2.410 1
1 13 . 4 1 1 A 8 8 THR CB C 8 69.895 72.332 -2.437 1
1 15 . 4 1 1 A 8 8 THR N N 8 112.793 115.142 -2.349 1
1 16 . 4 1 1 A 9 9 GLY H H 9 8.460 8.548 -0.088 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 3.935 4.002 -0.067 1
1 18 . 4 1 1 A 9 9 GLY HA3 H 9 3.935 4.003 -0.068 1
1 19 . 4 1 1 A 9 9 GLY C C 9 174.058 173.216 0.842 1
1 20 . 4 1 1 A 9 9 GLY CA C 9 45.284 45.720 -0.436 1
1 21 . 4 1 1 A 9 9 GLY N N 9 110.999 108.836 2.163 1
1 22 . 4 1 1 A 10 10 GLU H H 10 8.232 8.357 -0.125 1
1 23 . 4 1 1 A 10 10 GLU HA H 10 4.221 4.759 -0.538 1
1 28 . 4 1 1 A 10 10 GLU C C 10 176.320 175.470 0.850 1
1 29 . 4 1 1 A 10 10 GLU CA C 10 56.807 56.007 0.800 1
1 30 . 4 1 1 A 10 10 GLU CB C 10 30.485 30.996 -0.511 1
1 32 . 4 1 1 A 10 10 GLU N N 10 120.268 120.103 0.165 1
1 33 . 4 1 1 A 11 11 LYS H H 11 8.293 8.370 -0.077 1
1 34 . 4 1 1 A 11 11 LYS HA H 11 4.511 4.812 -0.301 1
1 43 . 4 1 1 A 11 11 LYS C C 11 173.935 176.230 -2.295 1
1 44 . 4 1 1 A 11 11 LYS CA C 11 53.941 52.911 1.030 1
1 45 . 4 1 1 A 11 11 LYS CB C 11 32.968 33.825 -0.857 1
1 49 . 4 1 1 A 11 11 LYS N N 11 121.633 121.451 0.182 1
1 50 . 4 1 1 A 12 12 PRO HA H 12 4.311 4.351 -0.040 1
1 57 . 4 1 1 A 12 12 PRO C C 12 176.347 175.605 0.742 1
1 58 . 4 1 1 A 12 12 PRO CA C 12 63.422 63.937 -0.515 1
1 59 . 4 1 1 A 12 12 PRO CB C 12 32.261 31.241 1.020 1
1 62 . 4 1 1 A 13 13 TYR H H 13 8.065 7.494 0.571 1
1 63 . 4 1 1 A 13 13 TYR HA H 13 4.593 5.248 -0.655 1
1 70 . 4 1 1 A 13 13 TYR C C 13 174.711 175.226 -0.515 1
1 71 . 4 1 1 A 13 13 TYR CA C 13 57.524 56.823 0.701 1
1 72 . 4 1 1 A 13 13 TYR CB C 13 38.493 40.760 -2.267 1
1 77 . 4 1 1 A 13 13 TYR N N 13 118.480 118.624 -0.144 1
1 78 . 4 1 1 A 14 14 GLU H H 14 8.555 8.887 -0.332 1
1 79 . 4 1 1 A 14 14 GLU HA H 14 4.830 5.446 -0.616 1
1 84 . 4 1 1 A 14 14 GLU C C 14 175.283 175.494 -0.211 1
1 85 . 4 1 1 A 14 14 GLU CA C 14 55.294 54.667 0.627 1
1 86 . 4 1 1 A 14 14 GLU CB C 14 32.651 33.453 -0.802 1
1 88 . 4 1 1 A 14 14 GLU N N 14 124.223 122.835 1.388 1
1 89 . 4 1 1 A 15 15 CYS H H 15 9.054 9.153 -0.099 1
1 90 . 4 1 1 A 15 15 CYS HA H 15 4.519 4.636 -0.117 1
1 93 . 4 1 1 A 15 15 CYS C C 15 176.371 176.794 -0.423 1
1 94 . 4 1 1 A 15 15 CYS CA C 15 59.775 59.904 -0.129 1
1 95 . 4 1 1 A 15 15 CYS CB C 15 29.834 28.454 1.380 1
1 96 . 4 1 1 A 15 15 CYS N N 15 126.124 124.020 2.104 1
1 97 . 4 1 1 A 16 16 ASN H H 16 9.145 8.813 0.332 1
1 98 . 4 1 1 A 16 16 ASN HA H 16 4.664 4.969 -0.305 1
1 103 . 4 1 1 A 16 16 ASN C C 16 175.434 174.802 0.632 1
1 104 . 4 1 1 A 16 16 ASN CA C 16 55.450 52.505 2.945 1
1 105 . 4 1 1 A 16 16 ASN CB C 16 38.367 37.904 0.463 1
1 106 . 4 1 1 A 16 16 ASN N N 16 128.375 121.557 6.818 1
1 108 . 4 1 1 A 17 17 GLU H H 17 8.940 7.999 0.941 1
1 109 . 4 1 1 A 17 17 GLU HA H 17 4.309 4.494 -0.185 1
1 114 . 4 1 1 A 17 17 GLU C C 17 176.943 177.622 -0.679 1
1 115 . 4 1 1 A 17 17 GLU CA C 17 58.075 57.291 0.784 1
1 116 . 4 1 1 A 17 17 GLU CB C 17 30.005 31.901 -1.896 1
1 118 . 4 1 1 A 17 17 GLU N N 17 121.278 117.011 4.267 1
1 119 . 4 1 1 A 18 18 CYS H H 18 7.884 8.151 -0.267 1
1 120 . 4 1 1 A 18 18 CYS HA H 18 5.030 4.471 0.559 1
1 123 . 4 1 1 A 18 18 CYS C C 18 174.784 174.448 0.336 1
1 124 . 4 1 1 A 18 18 CYS CA C 18 58.712 58.859 -0.147 1
1 125 . 4 1 1 A 18 18 CYS CB C 18 31.646 28.394 3.252 1
1 126 . 4 1 1 A 18 18 CYS N N 18 116.336 115.095 1.241 1
1 127 . 4 1 1 A 19 19 GLN H H 19 8.117 8.049 0.068 1
1 128 . 4 1 1 A 19 19 GLN HA H 19 4.176 4.111 0.065 1
1 135 . 4 1 1 A 19 19 GLN C C 19 175.071 174.522 0.549 1
1 136 . 4 1 1 A 19 19 GLN CA C 19 58.561 57.058 1.503 1
1 137 . 4 1 1 A 19 19 GLN CB C 19 26.375 26.231 0.144 1
1 139 . 4 1 1 A 19 19 GLN N N 19 116.253 116.207 0.046 1
1 141 . 4 1 1 A 20 20 LYS H H 20 7.920 8.002 -0.082 1
1 142 . 4 1 1 A 20 20 LYS HA H 20 4.106 4.654 -0.548 1
1 151 . 4 1 1 A 20 20 LYS C C 20 173.942 175.589 -1.647 1
1 152 . 4 1 1 A 20 20 LYS CA C 20 57.784 54.679 3.105 1
1 153 . 4 1 1 A 20 20 LYS CB C 20 34.257 34.453 -0.196 1
1 157 . 4 1 1 A 20 20 LYS N N 20 121.537 117.920 3.617 1
1 158 . 4 1 1 A 21 21 ALA H H 21 7.796 8.248 -0.452 1
1 159 . 4 1 1 A 21 21 ALA HA H 21 5.070 5.444 -0.374 1
1 163 . 4 1 1 A 21 21 ALA C C 21 176.123 175.287 0.836 1
1 164 . 4 1 1 A 21 21 ALA CA C 21 50.530 50.430 0.100 1
1 165 . 4 1 1 A 21 21 ALA CB C 21 22.271 22.416 -0.145 1
1 166 . 4 1 1 A 21 21 ALA N N 21 123.395 120.709 2.686 1
1 167 . 4 1 1 A 22 22 PHE H H 22 8.662 8.650 0.012 1
1 168 . 4 1 1 A 22 22 PHE HA H 22 4.679 4.944 -0.265 1
1 176 . 4 1 1 A 22 22 PHE C C 22 175.069 175.694 -0.625 1
1 177 . 4 1 1 A 22 22 PHE CA C 22 57.458 56.765 0.693 1
1 178 . 4 1 1 A 22 22 PHE CB C 22 44.024 43.827 0.197 1
1 184 . 4 1 1 A 22 22 PHE N N 22 116.451 118.058 -1.607 1
1 185 . 4 1 1 A 23 23 ASN HA H 23 4.887 4.882 0.005 1
1 190 . 4 1 1 A 23 23 ASN C C 23 175.404 175.427 -0.023 1
1 191 . 4 1 1 A 23 23 ASN CA C 23 55.197 55.629 -0.432 1
1 192 . 4 1 1 A 23 23 ASN CB C 23 39.066 40.217 -1.151 1
1 194 . 4 1 1 A 24 24 THR H H 24 7.425 7.786 -0.361 1
1 195 . 4 1 1 A 24 24 THR HA H 24 4.766 4.403 0.363 1
1 200 . 4 1 1 A 24 24 THR C C 24 173.616 174.886 -1.270 1
1 201 . 4 1 1 A 24 24 THR CA C 24 58.695 59.247 -0.552 1
1 202 . 4 1 1 A 24 24 THR CB C 24 72.730 71.509 1.221 1
1 204 . 4 1 1 A 24 24 THR N N 24 106.491 111.480 -4.989 1
1 205 . 4 1 1 A 25 25 LYS H H 25 8.323 8.558 -0.235 1
1 206 . 4 1 1 A 25 25 LYS HA H 25 3.194 3.469 -0.275 1
1 215 . 4 1 1 A 25 25 LYS C C 25 178.784 177.608 1.176 1
1 216 . 4 1 1 A 25 25 LYS CA C 25 58.821 59.282 -0.461 1
1 217 . 4 1 1 A 25 25 LYS CB C 25 31.835 32.050 -0.215 1
1 221 . 4 1 1 A 25 25 LYS N N 25 124.117 122.741 1.376 1
1 222 . 4 1 1 A 26 26 SER H H 26 8.351 7.820 0.531 1
1 223 . 4 1 1 A 26 26 SER HA H 26 4.066 3.997 0.069 1
1 226 . 4 1 1 A 26 26 SER C C 26 176.574 177.461 -0.887 1
1 227 . 4 1 1 A 26 26 SER CA C 26 61.540 61.653 -0.113 1
1 228 . 4 1 1 A 26 26 SER CB C 26 62.205 62.989 -0.784 1
1 229 . 4 1 1 A 26 26 SER N N 26 113.534 114.264 -0.730 1
1 230 . 4 1 1 A 27 27 ASN H H 27 7.720 7.722 -0.002 1
1 231 . 4 1 1 A 27 27 ASN HA H 27 4.461 4.301 0.160 1
1 236 . 4 1 1 A 27 27 ASN C C 27 178.233 177.767 0.466 1
1 237 . 4 1 1 A 27 27 ASN CA C 27 55.387 56.343 -0.956 1
1 238 . 4 1 1 A 27 27 ASN CB C 27 37.652 37.754 -0.102 1
1 239 . 4 1 1 A 27 27 ASN N N 27 119.042 120.010 -0.968 1
1 241 . 4 1 1 A 28 28 LEU H H 28 7.445 7.330 0.115 1
1 242 . 4 1 1 A 28 28 LEU HA H 28 3.276 3.082 0.194 1
1 252 . 4 1 1 A 28 28 LEU C C 28 177.423 178.287 -0.864 1
1 253 . 4 1 1 A 28 28 LEU CA C 28 58.231 57.673 0.558 1
1 254 . 4 1 1 A 28 28 LEU CB C 28 40.386 41.147 -0.761 1
1 258 . 4 1 1 A 28 28 LEU N N 28 122.869 121.166 1.703 1
1 259 . 4 1 1 A 29 29 MET H H 29 8.332 8.583 -0.251 1
1 260 . 4 1 1 A 29 29 MET HA H 29 4.187 3.990 0.197 1
1 268 . 4 1 1 A 29 29 MET C C 29 179.451 178.755 0.696 1
1 269 . 4 1 1 A 29 29 MET CA C 29 59.047 58.917 0.130 1
1 270 . 4 1 1 A 29 29 MET CB C 29 32.224 32.210 0.014 1
1 273 . 4 1 1 A 29 29 MET N N 29 118.924 117.278 1.646 1
1 274 . 4 1 1 A 30 30 VAL H H 30 7.797 7.926 -0.129 1
1 275 . 4 1 1 A 30 30 VAL HA H 30 3.523 3.555 -0.032 1
1 283 . 4 1 1 A 30 30 VAL C C 30 179.004 178.268 0.736 1
1 284 . 4 1 1 A 30 30 VAL CA C 30 66.614 66.280 0.334 1
1 285 . 4 1 1 A 30 30 VAL CB C 30 32.139 31.409 0.730 1
1 288 . 4 1 1 A 30 30 VAL N N 30 119.346 119.722 -0.376 1
1 289 . 4 1 1 A 31 31 HIS H H 31 7.373 8.204 -0.831 1
1 290 . 4 1 1 A 31 31 HIS HA H 31 4.217 4.347 -0.130 1
1 295 . 4 1 1 A 31 31 HIS C C 31 178.166 176.981 1.185 1
1 296 . 4 1 1 A 31 31 HIS CA C 31 59.194 58.722 0.472 1
1 297 . 4 1 1 A 31 31 HIS CB C 31 28.095 29.719 -1.624 1
1 300 . 4 1 1 A 31 31 HIS N N 31 119.317 119.177 0.140 1
1 301 . 4 1 1 A 32 32 GLN H H 32 8.912 7.490 1.422 1
1 302 . 4 1 1 A 32 32 GLN HA H 32 3.660 4.042 -0.382 1
1 309 . 4 1 1 A 32 32 GLN C C 32 177.784 178.515 -0.731 1
1 310 . 4 1 1 A 32 32 GLN CA C 32 59.952 59.086 0.866 1
1 311 . 4 1 1 A 32 32 GLN CB C 32 28.263 28.744 -0.481 1
1 313 . 4 1 1 A 32 32 GLN N N 32 120.179 118.122 2.057 1
1 315 . 4 1 1 A 33 33 ARG H H 33 7.262 7.522 -0.260 1
1 316 . 4 1 1 A 33 33 ARG HA H 33 4.208 4.091 0.117 1
1 323 . 4 1 1 A 33 33 ARG C C 33 178.239 177.842 0.397 1
1 324 . 4 1 1 A 33 33 ARG CA C 33 58.523 58.792 -0.269 1
1 325 . 4 1 1 A 33 33 ARG CB C 33 29.988 29.880 0.108 1
1 328 . 4 1 1 A 33 33 ARG N N 33 117.576 118.816 -1.240 1
1 329 . 4 1 1 A 34 34 THR H H 34 7.797 8.083 -0.286 1
1 330 . 4 1 1 A 34 34 THR HA H 34 4.142 4.059 0.083 1
1 335 . 4 1 1 A 34 34 THR C C 34 175.641 176.600 -0.959 1
1 336 . 4 1 1 A 34 34 THR CA C 34 63.920 65.796 -1.876 1
1 337 . 4 1 1 A 34 34 THR CB C 34 69.413 68.238 1.175 1
1 339 . 4 1 1 A 34 34 THR N N 34 109.658 111.430 -1.772 1
1 340 . 4 1 1 A 35 35 HIS H H 35 7.215 7.979 -0.764 1
1 341 . 4 1 1 A 35 35 HIS HA H 35 4.852 4.134 0.718 1
1 346 . 4 1 1 A 35 35 HIS C C 35 175.704 177.898 -2.194 1
1 347 . 4 1 1 A 35 35 HIS CA C 35 55.632 59.120 -3.488 1
1 348 . 4 1 1 A 35 35 HIS CB C 35 28.783 29.922 -1.139 1
1 351 . 4 1 1 A 35 35 HIS N N 35 118.639 119.721 -1.082 1
1 352 . 4 1 1 A 36 36 THR H H 36 7.818 7.745 0.073 1
1 353 . 4 1 1 A 36 36 THR HA H 36 4.397 4.257 0.140 1
1 358 . 4 1 1 A 36 36 THR C C 36 175.429 174.457 0.972 1
1 359 . 4 1 1 A 36 36 THR CA C 36 62.294 62.790 -0.496 1
1 360 . 4 1 1 A 36 36 THR CB C 36 69.885 70.395 -0.510 1
1 362 . 4 1 1 A 36 36 THR N N 36 111.712 107.700 4.012 1
1 363 . 4 1 1 A 37 37 GLY H H 37 8.273 7.399 0.874 1
1 364 . 4 1 1 A 37 37 GLY HA2 H 37 4.055 4.018 0.037 1
1 365 . 4 1 1 A 37 37 GLY HA3 H 37 3.985 4.028 -0.043 1
1 366 . 4 1 1 A 37 37 GLY C C 37 174.325 172.697 1.628 1
1 367 . 4 1 1 A 37 37 GLY CA C 37 45.477 43.822 1.655 1
1 368 . 4 1 1 A 37 37 GLY N N 37 110.839 109.470 1.369 1
1 369 . 4 1 1 A 38 38 GLU H H 38 8.210 8.355 -0.145 1
1 370 . 4 1 1 A 38 38 GLU HA H 38 4.330 4.613 -0.283 1
1 375 . 4 1 1 A 38 38 GLU C C 38 176.563 176.577 -0.014 1
1 376 . 4 1 1 A 38 38 GLU CA C 38 56.675 55.206 1.469 1
1 377 . 4 1 1 A 38 38 GLU CB C 38 30.528 31.382 -0.854 1
1 379 . 4 1 1 A 38 38 GLU N N 38 120.721 120.631 0.090 1
1 380 . 4 1 1 A 39 39 SER H H 39 8.419 9.030 -0.611 1
1 381 . 4 1 1 A 39 39 SER HA H 39 4.499 4.134 0.365 1
1 384 . 4 1 1 A 39 39 SER C C 39 174.576 174.832 -0.256 1
1 385 . 4 1 1 A 39 39 SER CA C 39 58.389 58.904 -0.515 1
1 386 . 4 1 1 A 39 39 SER CB C 39 64.005 61.390 2.615 1
1 387 . 4 1 1 A 39 39 SER N N 39 116.775 121.467 -4.692 1
1 388 . 4 1 1 A 40 40 GLY H H 40 8.241 8.109 0.132 1
1 389 . 4 1 1 A 40 40 GLY HA2 H 40 4.166 3.851 0.315 1
1 390 . 4 1 1 A 40 40 GLY HA3 H 40 4.077 3.851 0.226 1
1 391 . 4 1 1 A 40 40 GLY C C 40 171.716 174.450 -2.734 1
1 392 . 4 1 1 A 40 40 GLY CA C 40 44.659 46.913 -2.254 1
1 393 . 4 1 1 A 40 40 GLY N N 40 110.604 109.162 1.442 1
1 394 . 4 1 1 A 41 41 PRO HA H 41 4.486 4.674 -0.188 1
1 401 . 4 1 1 A 41 41 PRO C C 41 177.364 176.014 1.350 1
1 402 . 4 1 1 A 41 41 PRO CA C 41 63.199 62.839 0.360 1
1 403 . 4 1 1 A 41 41 PRO CB C 41 32.225 31.695 0.530 1
1 406 . 4 1 1 A 42 42 SER H H 42 8.534 8.743 -0.209 1
1 407 . 4 1 1 A 42 42 SER C C 42 174.655 173.740 0.915 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 4.049 4.033 0.016 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.049 4.038 0.011 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.520 174.907 -0.387 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.474 46.774 -1.300 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.150 8.037 0.113 1
1 6 . 5 1 1 A 8 8 THR HA H 8 4.390 3.884 0.506 1
1 11 . 5 1 1 A 8 8 THR C C 8 175.239 176.305 -1.066 1
1 12 . 5 1 1 A 8 8 THR CA C 8 61.894 66.675 -4.781 1
1 13 . 5 1 1 A 8 8 THR CB C 8 69.895 68.537 1.358 1
1 15 . 5 1 1 A 8 8 THR N N 8 112.793 116.722 -3.929 1
1 16 . 5 1 1 A 9 9 GLY H H 9 8.460 7.979 0.481 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 3.935 3.873 0.062 1
1 18 . 5 1 1 A 9 9 GLY HA3 H 9 3.935 3.874 0.061 1
1 19 . 5 1 1 A 9 9 GLY C C 9 174.058 174.166 -0.108 1
1 20 . 5 1 1 A 9 9 GLY CA C 9 45.284 46.495 -1.211 1
1 21 . 5 1 1 A 9 9 GLY N N 9 110.999 108.968 2.031 1
1 22 . 5 1 1 A 10 10 GLU H H 10 8.232 7.796 0.436 1
1 23 . 5 1 1 A 10 10 GLU HA H 10 4.221 4.735 -0.514 1
1 28 . 5 1 1 A 10 10 GLU C C 10 176.320 174.152 2.168 1
1 29 . 5 1 1 A 10 10 GLU CA C 10 56.807 55.486 1.321 1
1 30 . 5 1 1 A 10 10 GLU CB C 10 30.485 33.301 -2.816 1
1 32 . 5 1 1 A 10 10 GLU N N 10 120.268 118.521 1.747 1
1 33 . 5 1 1 A 11 11 LYS H H 11 8.293 8.694 -0.401 1
1 34 . 5 1 1 A 11 11 LYS HA H 11 4.511 4.702 -0.191 1
1 43 . 5 1 1 A 11 11 LYS C C 11 173.935 176.313 -2.378 1
1 44 . 5 1 1 A 11 11 LYS CA C 11 53.941 53.231 0.710 1
1 45 . 5 1 1 A 11 11 LYS CB C 11 32.968 32.617 0.351 1
1 49 . 5 1 1 A 11 11 LYS N N 11 121.633 124.202 -2.569 1
1 50 . 5 1 1 A 12 12 PRO HA H 12 4.311 4.328 -0.017 1
1 57 . 5 1 1 A 12 12 PRO C C 12 176.347 175.582 0.765 1
1 58 . 5 1 1 A 12 12 PRO CA C 12 63.422 63.982 -0.560 1
1 59 . 5 1 1 A 12 12 PRO CB C 12 32.261 31.146 1.115 1
1 62 . 5 1 1 A 13 13 TYR H H 13 8.065 7.406 0.659 1
1 63 . 5 1 1 A 13 13 TYR HA H 13 4.593 5.271 -0.678 1
1 70 . 5 1 1 A 13 13 TYR C C 13 174.711 174.979 -0.268 1
1 71 . 5 1 1 A 13 13 TYR CA C 13 57.524 56.920 0.604 1
1 72 . 5 1 1 A 13 13 TYR CB C 13 38.493 41.306 -2.813 1
1 77 . 5 1 1 A 13 13 TYR N N 13 118.480 118.591 -0.111 1
1 78 . 5 1 1 A 14 14 GLU H H 14 8.555 8.905 -0.350 1
1 79 . 5 1 1 A 14 14 GLU HA H 14 4.830 5.480 -0.650 1
1 84 . 5 1 1 A 14 14 GLU C C 14 175.283 175.628 -0.345 1
1 85 . 5 1 1 A 14 14 GLU CA C 14 55.294 54.621 0.673 1
1 86 . 5 1 1 A 14 14 GLU CB C 14 32.651 32.898 -0.247 1
1 88 . 5 1 1 A 14 14 GLU N N 14 124.223 122.633 1.590 1
1 89 . 5 1 1 A 15 15 CYS H H 15 9.054 8.975 0.079 1
1 90 . 5 1 1 A 15 15 CYS HA H 15 4.519 4.608 -0.089 1
1 93 . 5 1 1 A 15 15 CYS C C 15 176.371 174.689 1.682 1
1 94 . 5 1 1 A 15 15 CYS CA C 15 59.775 59.251 0.524 1
1 95 . 5 1 1 A 15 15 CYS CB C 15 29.834 28.853 0.981 1
1 96 . 5 1 1 A 15 15 CYS N N 15 126.124 124.846 1.278 1
1 97 . 5 1 1 A 16 16 ASN H H 16 9.145 8.901 0.244 1
1 98 . 5 1 1 A 16 16 ASN HA H 16 4.664 5.034 -0.370 1
1 103 . 5 1 1 A 16 16 ASN C C 16 175.434 176.807 -1.373 1
1 104 . 5 1 1 A 16 16 ASN CA C 16 55.450 54.301 1.149 1
1 105 . 5 1 1 A 16 16 ASN CB C 16 38.367 40.390 -2.023 1
1 106 . 5 1 1 A 16 16 ASN N N 16 128.375 122.265 6.110 1
1 108 . 5 1 1 A 17 17 GLU H H 17 8.940 8.361 0.579 1
1 109 . 5 1 1 A 17 17 GLU HA H 17 4.309 3.975 0.334 1
1 114 . 5 1 1 A 17 17 GLU C C 17 176.943 178.541 -1.598 1
1 115 . 5 1 1 A 17 17 GLU CA C 17 58.075 58.722 -0.647 1
1 116 . 5 1 1 A 17 17 GLU CB C 17 30.005 29.431 0.574 1
1 118 . 5 1 1 A 17 17 GLU N N 17 121.278 119.596 1.682 1
1 119 . 5 1 1 A 18 18 CYS H H 18 7.884 7.762 0.122 1
1 120 . 5 1 1 A 18 18 CYS HA H 18 5.030 4.522 0.508 1
1 123 . 5 1 1 A 18 18 CYS C C 18 174.784 174.793 -0.009 1
1 124 . 5 1 1 A 18 18 CYS CA C 18 58.712 59.474 -0.762 1
1 125 . 5 1 1 A 18 18 CYS CB C 18 31.646 29.096 2.550 1
1 126 . 5 1 1 A 18 18 CYS N N 18 116.336 115.678 0.658 1
1 127 . 5 1 1 A 19 19 GLN H H 19 8.117 7.964 0.153 1
1 128 . 5 1 1 A 19 19 GLN HA H 19 4.176 4.130 0.046 1
1 135 . 5 1 1 A 19 19 GLN C C 19 175.071 174.685 0.386 1
1 136 . 5 1 1 A 19 19 GLN CA C 19 58.561 57.053 1.508 1
1 137 . 5 1 1 A 19 19 GLN CB C 19 26.375 26.322 0.053 1
1 139 . 5 1 1 A 19 19 GLN N N 19 116.253 116.459 -0.206 1
1 141 . 5 1 1 A 20 20 LYS H H 20 7.920 7.604 0.316 1
1 142 . 5 1 1 A 20 20 LYS HA H 20 4.106 4.605 -0.499 1
1 151 . 5 1 1 A 20 20 LYS C C 20 173.942 175.741 -1.799 1
1 152 . 5 1 1 A 20 20 LYS CA C 20 57.784 54.924 2.860 1
1 153 . 5 1 1 A 20 20 LYS CB C 20 34.257 34.106 0.151 1
1 157 . 5 1 1 A 20 20 LYS N N 20 121.537 118.204 3.333 1
1 158 . 5 1 1 A 21 21 ALA H H 21 7.796 8.393 -0.597 1
1 159 . 5 1 1 A 21 21 ALA HA H 21 5.070 5.571 -0.501 1
1 163 . 5 1 1 A 21 21 ALA C C 21 176.123 175.592 0.531 1
1 164 . 5 1 1 A 21 21 ALA CA C 21 50.530 50.294 0.236 1
1 165 . 5 1 1 A 21 21 ALA CB C 21 22.271 22.392 -0.121 1
1 166 . 5 1 1 A 21 21 ALA N N 21 123.395 120.883 2.512 1
1 167 . 5 1 1 A 22 22 PHE H H 22 8.662 8.695 -0.033 1
1 168 . 5 1 1 A 22 22 PHE HA H 22 4.679 4.886 -0.207 1
1 176 . 5 1 1 A 22 22 PHE C C 22 175.069 176.037 -0.968 1
1 177 . 5 1 1 A 22 22 PHE CA C 22 57.458 56.501 0.957 1
1 178 . 5 1 1 A 22 22 PHE CB C 22 44.024 43.291 0.733 1
1 184 . 5 1 1 A 22 22 PHE N N 22 116.451 118.432 -1.981 1
1 185 . 5 1 1 A 23 23 ASN HA H 23 4.887 4.774 0.113 1
1 190 . 5 1 1 A 23 23 ASN C C 23 175.404 175.766 -0.362 1
1 191 . 5 1 1 A 23 23 ASN CA C 23 55.197 55.947 -0.750 1
1 192 . 5 1 1 A 23 23 ASN CB C 23 39.066 38.287 0.779 1
1 194 . 5 1 1 A 24 24 THR H H 24 7.425 7.777 -0.352 1
1 195 . 5 1 1 A 24 24 THR HA H 24 4.766 4.613 0.153 1
1 200 . 5 1 1 A 24 24 THR C C 24 173.616 174.649 -1.033 1
1 201 . 5 1 1 A 24 24 THR CA C 24 58.695 59.004 -0.309 1
1 202 . 5 1 1 A 24 24 THR CB C 24 72.730 71.719 1.011 1
1 204 . 5 1 1 A 24 24 THR N N 24 106.491 110.067 -3.576 1
1 205 . 5 1 1 A 25 25 LYS H H 25 8.323 8.343 -0.020 1
1 206 . 5 1 1 A 25 25 LYS HA H 25 3.194 3.193 0.001 1
1 215 . 5 1 1 A 25 25 LYS C C 25 178.784 178.013 0.771 1
1 216 . 5 1 1 A 25 25 LYS CA C 25 58.821 59.264 -0.443 1
1 217 . 5 1 1 A 25 25 LYS CB C 25 31.835 31.997 -0.162 1
1 221 . 5 1 1 A 25 25 LYS N N 25 124.117 122.610 1.507 1
1 222 . 5 1 1 A 26 26 SER H H 26 8.351 8.196 0.155 1
1 223 . 5 1 1 A 26 26 SER HA H 26 4.066 4.092 -0.026 1
1 226 . 5 1 1 A 26 26 SER C C 26 176.574 177.049 -0.475 1
1 227 . 5 1 1 A 26 26 SER CA C 26 61.540 61.206 0.334 1
1 228 . 5 1 1 A 26 26 SER CB C 26 62.205 62.580 -0.375 1
1 229 . 5 1 1 A 26 26 SER N N 26 113.534 115.302 -1.768 1
1 230 . 5 1 1 A 27 27 ASN H H 27 7.720 7.964 -0.244 1
1 231 . 5 1 1 A 27 27 ASN HA H 27 4.461 4.417 0.044 1
1 236 . 5 1 1 A 27 27 ASN C C 27 178.233 177.684 0.549 1
1 237 . 5 1 1 A 27 27 ASN CA C 27 55.387 56.290 -0.903 1
1 238 . 5 1 1 A 27 27 ASN CB C 27 37.652 38.282 -0.630 1
1 239 . 5 1 1 A 27 27 ASN N N 27 119.042 120.740 -1.698 1
1 241 . 5 1 1 A 28 28 LEU H H 28 7.445 7.283 0.162 1
1 242 . 5 1 1 A 28 28 LEU HA H 28 3.276 3.049 0.227 1
1 252 . 5 1 1 A 28 28 LEU C C 28 177.423 178.366 -0.943 1
1 253 . 5 1 1 A 28 28 LEU CA C 28 58.231 58.006 0.225 1
1 254 . 5 1 1 A 28 28 LEU CB C 28 40.386 41.608 -1.222 1
1 258 . 5 1 1 A 28 28 LEU N N 28 122.869 121.108 1.761 1
1 259 . 5 1 1 A 29 29 MET H H 29 8.332 8.175 0.157 1
1 260 . 5 1 1 A 29 29 MET HA H 29 4.187 3.975 0.212 1
1 268 . 5 1 1 A 29 29 MET C C 29 179.451 178.832 0.619 1
1 269 . 5 1 1 A 29 29 MET CA C 29 59.047 58.887 0.160 1
1 270 . 5 1 1 A 29 29 MET CB C 29 32.224 32.173 0.051 1
1 273 . 5 1 1 A 29 29 MET N N 29 118.924 117.281 1.643 1
1 274 . 5 1 1 A 30 30 VAL H H 30 7.797 7.954 -0.157 1
1 275 . 5 1 1 A 30 30 VAL HA H 30 3.523 3.498 0.025 1
1 283 . 5 1 1 A 30 30 VAL C C 30 179.004 178.392 0.612 1
1 284 . 5 1 1 A 30 30 VAL CA C 30 66.614 66.333 0.281 1
1 285 . 5 1 1 A 30 30 VAL CB C 30 32.139 31.446 0.693 1
1 288 . 5 1 1 A 30 30 VAL N N 30 119.346 119.649 -0.303 1
1 289 . 5 1 1 A 31 31 HIS H H 31 7.373 8.361 -0.988 1
1 290 . 5 1 1 A 31 31 HIS HA H 31 4.217 4.004 0.213 1
1 295 . 5 1 1 A 31 31 HIS C C 31 178.166 176.445 1.721 1
1 296 . 5 1 1 A 31 31 HIS CA C 31 59.194 59.948 -0.754 1
1 297 . 5 1 1 A 31 31 HIS CB C 31 28.095 29.681 -1.586 1
1 300 . 5 1 1 A 31 31 HIS N N 31 119.317 119.514 -0.197 1
1 301 . 5 1 1 A 32 32 GLN H H 32 8.912 8.552 0.360 1
1 302 . 5 1 1 A 32 32 GLN HA H 32 3.660 3.730 -0.070 1
1 309 . 5 1 1 A 32 32 GLN C C 32 177.784 178.566 -0.782 1
1 310 . 5 1 1 A 32 32 GLN CA C 32 59.952 59.139 0.813 1
1 311 . 5 1 1 A 32 32 GLN CB C 32 28.263 28.264 -0.001 1
1 313 . 5 1 1 A 32 32 GLN N N 32 120.179 116.861 3.318 1
1 315 . 5 1 1 A 33 33 ARG H H 33 7.262 8.079 -0.817 1
1 316 . 5 1 1 A 33 33 ARG HA H 33 4.208 3.934 0.274 1
1 323 . 5 1 1 A 33 33 ARG C C 33 178.239 178.316 -0.077 1
1 324 . 5 1 1 A 33 33 ARG CA C 33 58.523 59.297 -0.774 1
1 325 . 5 1 1 A 33 33 ARG CB C 33 29.988 29.850 0.138 1
1 328 . 5 1 1 A 33 33 ARG N N 33 117.576 119.598 -2.022 1
1 329 . 5 1 1 A 34 34 THR H H 34 7.797 8.320 -0.523 1
1 330 . 5 1 1 A 34 34 THR HA H 34 4.142 4.280 -0.138 1
1 335 . 5 1 1 A 34 34 THR C C 34 175.641 177.018 -1.377 1
1 336 . 5 1 1 A 34 34 THR CA C 34 63.920 65.478 -1.558 1
1 337 . 5 1 1 A 34 34 THR CB C 34 69.413 68.061 1.352 1
1 339 . 5 1 1 A 34 34 THR N N 34 109.658 112.734 -3.076 1
1 340 . 5 1 1 A 35 35 HIS H H 35 7.215 7.600 -0.385 1
1 341 . 5 1 1 A 35 35 HIS HA H 35 4.852 4.317 0.535 1
1 346 . 5 1 1 A 35 35 HIS C C 35 175.704 176.378 -0.674 1
1 347 . 5 1 1 A 35 35 HIS CA C 35 55.632 58.826 -3.194 1
1 348 . 5 1 1 A 35 35 HIS CB C 35 28.783 29.693 -0.910 1
1 351 . 5 1 1 A 35 35 HIS N N 35 118.639 119.263 -0.624 1
1 352 . 5 1 1 A 36 36 THR H H 36 7.818 7.593 0.225 1
1 353 . 5 1 1 A 36 36 THR HA H 36 4.397 4.470 -0.073 1
1 358 . 5 1 1 A 36 36 THR C C 36 175.429 173.605 1.824 1
1 359 . 5 1 1 A 36 36 THR CA C 36 62.294 60.999 1.295 1
1 360 . 5 1 1 A 36 36 THR CB C 36 69.885 69.571 0.314 1
1 362 . 5 1 1 A 36 36 THR N N 36 111.712 110.801 0.911 1
1 363 . 5 1 1 A 37 37 GLY H H 37 8.273 7.796 0.477 1
1 364 . 5 1 1 A 37 37 GLY HA2 H 37 4.055 4.295 -0.240 1
1 365 . 5 1 1 A 37 37 GLY HA3 H 37 3.985 4.306 -0.321 1
1 366 . 5 1 1 A 37 37 GLY C C 37 174.325 174.932 -0.607 1
1 367 . 5 1 1 A 37 37 GLY CA C 37 45.477 43.935 1.542 1
1 368 . 5 1 1 A 37 37 GLY N N 37 110.839 110.733 0.106 1
1 369 . 5 1 1 A 38 38 GLU H H 38 8.210 8.732 -0.522 1
1 370 . 5 1 1 A 38 38 GLU HA H 38 4.330 3.973 0.357 1
1 375 . 5 1 1 A 38 38 GLU C C 38 176.563 177.733 -1.170 1
1 376 . 5 1 1 A 38 38 GLU CA C 38 56.675 59.386 -2.711 1
1 377 . 5 1 1 A 38 38 GLU CB C 38 30.528 29.602 0.926 1
1 379 . 5 1 1 A 38 38 GLU N N 38 120.721 119.790 0.931 1
1 380 . 5 1 1 A 39 39 SER H H 39 8.419 7.877 0.542 1
1 381 . 5 1 1 A 39 39 SER HA H 39 4.499 4.296 0.203 1
1 384 . 5 1 1 A 39 39 SER C C 39 174.576 174.681 -0.105 1
1 385 . 5 1 1 A 39 39 SER CA C 39 58.389 60.279 -1.890 1
1 386 . 5 1 1 A 39 39 SER CB C 39 64.005 63.634 0.371 1
1 387 . 5 1 1 A 39 39 SER N N 39 116.775 115.925 0.850 1
1 388 . 5 1 1 A 40 40 GLY H H 40 8.241 8.677 -0.436 1
1 389 . 5 1 1 A 40 40 GLY HA2 H 40 4.166 4.426 -0.260 1
1 390 . 5 1 1 A 40 40 GLY HA3 H 40 4.077 4.439 -0.362 1
1 391 . 5 1 1 A 40 40 GLY C C 40 171.716 171.980 -0.264 1
1 392 . 5 1 1 A 40 40 GLY CA C 40 44.659 45.357 -0.698 1
1 393 . 5 1 1 A 40 40 GLY N N 40 110.604 113.189 -2.585 1
1 394 . 5 1 1 A 41 41 PRO HA H 41 4.486 4.623 -0.137 1
1 401 . 5 1 1 A 41 41 PRO C C 41 177.364 177.851 -0.487 1
1 402 . 5 1 1 A 41 41 PRO CA C 41 63.199 62.693 0.506 1
1 403 . 5 1 1 A 41 41 PRO CB C 41 32.225 32.853 -0.628 1
1 406 . 5 1 1 A 42 42 SER H H 42 8.534 8.963 -0.429 1
1 407 . 5 1 1 A 42 42 SER C C 42 174.655 175.364 -0.709 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 4.049 4.055 -0.006 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.049 4.058 -0.009 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.520 173.360 1.160 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.474 44.795 0.679 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.150 8.810 -0.660 1
1 6 . 6 1 1 A 8 8 THR HA H 8 4.390 4.443 -0.053 1
1 11 . 6 1 1 A 8 8 THR C C 8 175.239 174.564 0.675 1
1 12 . 6 1 1 A 8 8 THR CA C 8 61.894 62.693 -0.799 1
1 13 . 6 1 1 A 8 8 THR CB C 8 69.895 68.862 1.033 1
1 15 . 6 1 1 A 8 8 THR N N 8 112.793 116.842 -4.049 1
1 16 . 6 1 1 A 9 9 GLY H H 9 8.460 8.887 -0.427 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 3.935 3.938 -0.003 1
1 18 . 6 1 1 A 9 9 GLY HA3 H 9 3.935 3.943 -0.008 1
1 19 . 6 1 1 A 9 9 GLY C C 9 174.058 174.062 -0.004 1
1 20 . 6 1 1 A 9 9 GLY CA C 9 45.284 46.535 -1.251 1
1 21 . 6 1 1 A 9 9 GLY N N 9 110.999 114.506 -3.507 1
1 22 . 6 1 1 A 10 10 GLU H H 10 8.232 7.987 0.245 1
1 23 . 6 1 1 A 10 10 GLU HA H 10 4.221 4.369 -0.148 1
1 28 . 6 1 1 A 10 10 GLU C C 10 176.320 175.365 0.955 1
1 29 . 6 1 1 A 10 10 GLU CA C 10 56.807 56.135 0.672 1
1 30 . 6 1 1 A 10 10 GLU CB C 10 30.485 29.416 1.069 1
1 32 . 6 1 1 A 10 10 GLU N N 10 120.268 120.565 -0.297 1
1 33 . 6 1 1 A 11 11 LYS H H 11 8.293 8.451 -0.158 1
1 34 . 6 1 1 A 11 11 LYS HA H 11 4.511 4.750 -0.239 1
1 43 . 6 1 1 A 11 11 LYS C C 11 173.935 176.275 -2.340 1
1 44 . 6 1 1 A 11 11 LYS CA C 11 53.941 53.192 0.749 1
1 45 . 6 1 1 A 11 11 LYS CB C 11 32.968 33.061 -0.093 1
1 49 . 6 1 1 A 11 11 LYS N N 11 121.633 125.998 -4.365 1
1 50 . 6 1 1 A 12 12 PRO HA H 12 4.311 4.321 -0.010 1
1 57 . 6 1 1 A 12 12 PRO C C 12 176.347 175.612 0.735 1
1 58 . 6 1 1 A 12 12 PRO CA C 12 63.422 64.009 -0.587 1
1 59 . 6 1 1 A 12 12 PRO CB C 12 32.261 31.194 1.067 1
1 62 . 6 1 1 A 13 13 TYR H H 13 8.065 7.499 0.566 1
1 63 . 6 1 1 A 13 13 TYR HA H 13 4.593 5.276 -0.683 1
1 70 . 6 1 1 A 13 13 TYR C C 13 174.711 174.806 -0.095 1
1 71 . 6 1 1 A 13 13 TYR CA C 13 57.524 56.793 0.731 1
1 72 . 6 1 1 A 13 13 TYR CB C 13 38.493 40.521 -2.028 1
1 77 . 6 1 1 A 13 13 TYR N N 13 118.480 118.737 -0.257 1
1 78 . 6 1 1 A 14 14 GLU H H 14 8.555 8.918 -0.363 1
1 79 . 6 1 1 A 14 14 GLU HA H 14 4.830 5.225 -0.395 1
1 84 . 6 1 1 A 14 14 GLU C C 14 175.283 174.901 0.382 1
1 85 . 6 1 1 A 14 14 GLU CA C 14 55.294 54.721 0.573 1
1 86 . 6 1 1 A 14 14 GLU CB C 14 32.651 33.603 -0.952 1
1 88 . 6 1 1 A 14 14 GLU N N 14 124.223 123.086 1.137 1
1 89 . 6 1 1 A 15 15 CYS H H 15 9.054 8.945 0.109 1
1 90 . 6 1 1 A 15 15 CYS HA H 15 4.519 4.869 -0.350 1
1 93 . 6 1 1 A 15 15 CYS C C 15 176.371 176.311 0.060 1
1 94 . 6 1 1 A 15 15 CYS CA C 15 59.775 58.049 1.726 1
1 95 . 6 1 1 A 15 15 CYS CB C 15 29.834 30.323 -0.489 1
1 96 . 6 1 1 A 15 15 CYS N N 15 126.124 122.367 3.757 1
1 97 . 6 1 1 A 16 16 ASN H H 16 9.145 9.079 0.066 1
1 98 . 6 1 1 A 16 16 ASN HA H 16 4.664 4.697 -0.033 1
1 103 . 6 1 1 A 16 16 ASN C C 16 175.434 174.497 0.937 1
1 104 . 6 1 1 A 16 16 ASN CA C 16 55.450 53.349 2.101 1
1 105 . 6 1 1 A 16 16 ASN CB C 16 38.367 37.260 1.107 1
1 106 . 6 1 1 A 16 16 ASN N N 16 128.375 123.503 4.872 1
1 108 . 6 1 1 A 17 17 GLU H H 17 8.940 8.108 0.832 1
1 109 . 6 1 1 A 17 17 GLU HA H 17 4.309 4.487 -0.178 1
1 114 . 6 1 1 A 17 17 GLU C C 17 176.943 177.822 -0.879 1
1 115 . 6 1 1 A 17 17 GLU CA C 17 58.075 56.996 1.079 1
1 116 . 6 1 1 A 17 17 GLU CB C 17 30.005 32.422 -2.417 1
1 118 . 6 1 1 A 17 17 GLU N N 17 121.278 117.014 4.264 1
1 119 . 6 1 1 A 18 18 CYS H H 18 7.884 8.187 -0.303 1
1 120 . 6 1 1 A 18 18 CYS HA H 18 5.030 4.598 0.432 1
1 123 . 6 1 1 A 18 18 CYS C C 18 174.784 174.574 0.210 1
1 124 . 6 1 1 A 18 18 CYS CA C 18 58.712 58.240 0.472 1
1 125 . 6 1 1 A 18 18 CYS CB C 18 31.646 29.612 2.034 1
1 126 . 6 1 1 A 18 18 CYS N N 18 116.336 114.781 1.555 1
1 127 . 6 1 1 A 19 19 GLN H H 19 8.117 7.920 0.197 1
1 128 . 6 1 1 A 19 19 GLN HA H 19 4.176 4.256 -0.080 1
1 135 . 6 1 1 A 19 19 GLN C C 19 175.071 173.955 1.116 1
1 136 . 6 1 1 A 19 19 GLN CA C 19 58.561 57.044 1.517 1
1 137 . 6 1 1 A 19 19 GLN CB C 19 26.375 26.230 0.145 1
1 139 . 6 1 1 A 19 19 GLN N N 19 116.253 116.442 -0.189 1
1 141 . 6 1 1 A 20 20 LYS H H 20 7.920 7.892 0.028 1
1 142 . 6 1 1 A 20 20 LYS HA H 20 4.106 4.699 -0.593 1
1 151 . 6 1 1 A 20 20 LYS C C 20 173.942 175.750 -1.808 1
1 152 . 6 1 1 A 20 20 LYS CA C 20 57.784 55.006 2.778 1
1 153 . 6 1 1 A 20 20 LYS CB C 20 34.257 34.510 -0.253 1
1 157 . 6 1 1 A 20 20 LYS N N 20 121.537 119.314 2.223 1
1 158 . 6 1 1 A 21 21 ALA H H 21 7.796 8.676 -0.880 1
1 159 . 6 1 1 A 21 21 ALA HA H 21 5.070 5.113 -0.043 1
1 163 . 6 1 1 A 21 21 ALA C C 21 176.123 177.300 -1.177 1
1 164 . 6 1 1 A 21 21 ALA CA C 21 50.530 52.208 -1.678 1
1 165 . 6 1 1 A 21 21 ALA CB C 21 22.271 19.961 2.310 1
1 166 . 6 1 1 A 21 21 ALA N N 21 123.395 129.505 -6.110 1
1 167 . 6 1 1 A 22 22 PHE H H 22 8.662 9.173 -0.511 1
1 168 . 6 1 1 A 22 22 PHE HA H 22 4.679 5.000 -0.321 1
1 176 . 6 1 1 A 22 22 PHE C C 22 175.069 175.803 -0.734 1
1 177 . 6 1 1 A 22 22 PHE CA C 22 57.458 57.079 0.379 1
1 178 . 6 1 1 A 22 22 PHE CB C 22 44.024 43.569 0.455 1
1 184 . 6 1 1 A 22 22 PHE N N 22 116.451 118.489 -2.038 1
1 185 . 6 1 1 A 23 23 ASN HA H 23 4.887 4.871 0.016 1
1 190 . 6 1 1 A 23 23 ASN C C 23 175.404 175.442 -0.038 1
1 191 . 6 1 1 A 23 23 ASN CA C 23 55.197 55.002 0.195 1
1 192 . 6 1 1 A 23 23 ASN CB C 23 39.066 39.086 -0.020 1
1 194 . 6 1 1 A 24 24 THR H H 24 7.425 7.705 -0.280 1
1 195 . 6 1 1 A 24 24 THR HA H 24 4.766 4.278 0.488 1
1 200 . 6 1 1 A 24 24 THR C C 24 173.616 174.581 -0.965 1
1 201 . 6 1 1 A 24 24 THR CA C 24 58.695 58.902 -0.207 1
1 202 . 6 1 1 A 24 24 THR CB C 24 72.730 72.065 0.665 1
1 204 . 6 1 1 A 24 24 THR N N 24 106.491 108.436 -1.945 1
1 205 . 6 1 1 A 25 25 LYS H H 25 8.323 8.152 0.171 1
1 206 . 6 1 1 A 25 25 LYS HA H 25 3.194 3.503 -0.309 1
1 215 . 6 1 1 A 25 25 LYS C C 25 178.784 177.669 1.115 1
1 216 . 6 1 1 A 25 25 LYS CA C 25 58.821 60.112 -1.291 1
1 217 . 6 1 1 A 25 25 LYS CB C 25 31.835 31.735 0.100 1
1 221 . 6 1 1 A 25 25 LYS N N 25 124.117 122.254 1.863 1
1 222 . 6 1 1 A 26 26 SER H H 26 8.351 7.731 0.620 1
1 223 . 6 1 1 A 26 26 SER HA H 26 4.066 4.003 0.063 1
1 226 . 6 1 1 A 26 26 SER C C 26 176.574 177.154 -0.580 1
1 227 . 6 1 1 A 26 26 SER CA C 26 61.540 61.622 -0.082 1
1 228 . 6 1 1 A 26 26 SER CB C 26 62.205 63.006 -0.801 1
1 229 . 6 1 1 A 26 26 SER N N 26 113.534 114.037 -0.503 1
1 230 . 6 1 1 A 27 27 ASN H H 27 7.720 8.195 -0.475 1
1 231 . 6 1 1 A 27 27 ASN HA H 27 4.461 4.423 0.038 1
1 236 . 6 1 1 A 27 27 ASN C C 27 178.233 177.396 0.837 1
1 237 . 6 1 1 A 27 27 ASN CA C 27 55.387 56.958 -1.571 1
1 238 . 6 1 1 A 27 27 ASN CB C 27 37.652 39.560 -1.908 1
1 239 . 6 1 1 A 27 27 ASN N N 27 119.042 119.335 -0.293 1
1 241 . 6 1 1 A 28 28 LEU H H 28 7.445 7.384 0.061 1
1 242 . 6 1 1 A 28 28 LEU HA H 28 3.276 2.851 0.425 1
1 252 . 6 1 1 A 28 28 LEU C C 28 177.423 178.562 -1.139 1
1 253 . 6 1 1 A 28 28 LEU CA C 28 58.231 57.516 0.715 1
1 254 . 6 1 1 A 28 28 LEU CB C 28 40.386 41.050 -0.664 1
1 258 . 6 1 1 A 28 28 LEU N N 28 122.869 120.014 2.855 1
1 259 . 6 1 1 A 29 29 MET H H 29 8.332 8.565 -0.233 1
1 260 . 6 1 1 A 29 29 MET HA H 29 4.187 4.362 -0.175 1
1 268 . 6 1 1 A 29 29 MET C C 29 179.451 178.768 0.683 1
1 269 . 6 1 1 A 29 29 MET CA C 29 59.047 58.764 0.283 1
1 270 . 6 1 1 A 29 29 MET CB C 29 32.224 32.342 -0.118 1
1 273 . 6 1 1 A 29 29 MET N N 29 118.924 117.204 1.720 1
1 274 . 6 1 1 A 30 30 VAL H H 30 7.797 8.171 -0.374 1
1 275 . 6 1 1 A 30 30 VAL HA H 30 3.523 3.552 -0.029 1
1 283 . 6 1 1 A 30 30 VAL C C 30 179.004 178.302 0.702 1
1 284 . 6 1 1 A 30 30 VAL CA C 30 66.614 66.329 0.285 1
1 285 . 6 1 1 A 30 30 VAL CB C 30 32.139 31.337 0.802 1
1 288 . 6 1 1 A 30 30 VAL N N 30 119.346 119.121 0.225 1
1 289 . 6 1 1 A 31 31 HIS H H 31 7.373 7.859 -0.486 1
1 290 . 6 1 1 A 31 31 HIS HA H 31 4.217 4.106 0.111 1
1 295 . 6 1 1 A 31 31 HIS C C 31 178.166 176.781 1.385 1
1 296 . 6 1 1 A 31 31 HIS CA C 31 59.194 59.572 -0.378 1
1 297 . 6 1 1 A 31 31 HIS CB C 31 28.095 29.726 -1.631 1
1 300 . 6 1 1 A 31 31 HIS N N 31 119.317 119.765 -0.448 1
1 301 . 6 1 1 A 32 32 GLN H H 32 8.912 8.252 0.660 1
1 302 . 6 1 1 A 32 32 GLN HA H 32 3.660 3.734 -0.074 1
1 309 . 6 1 1 A 32 32 GLN C C 32 177.784 178.853 -1.069 1
1 310 . 6 1 1 A 32 32 GLN CA C 32 59.952 58.967 0.985 1
1 311 . 6 1 1 A 32 32 GLN CB C 32 28.263 28.364 -0.101 1
1 313 . 6 1 1 A 32 32 GLN N N 32 120.179 117.152 3.027 1
1 315 . 6 1 1 A 33 33 ARG H H 33 7.262 7.852 -0.590 1
1 316 . 6 1 1 A 33 33 ARG HA H 33 4.208 4.054 0.154 1
1 323 . 6 1 1 A 33 33 ARG C C 33 178.239 179.177 -0.938 1
1 324 . 6 1 1 A 33 33 ARG CA C 33 58.523 59.284 -0.761 1
1 325 . 6 1 1 A 33 33 ARG CB C 33 29.988 30.603 -0.615 1
1 328 . 6 1 1 A 33 33 ARG N N 33 117.576 120.120 -2.544 1
1 329 . 6 1 1 A 34 34 THR H H 34 7.797 7.865 -0.068 1
1 330 . 6 1 1 A 34 34 THR HA H 34 4.142 4.089 0.053 1
1 335 . 6 1 1 A 34 34 THR C C 34 175.641 176.856 -1.215 1
1 336 . 6 1 1 A 34 34 THR CA C 34 63.920 64.702 -0.782 1
1 337 . 6 1 1 A 34 34 THR CB C 34 69.413 68.617 0.796 1
1 339 . 6 1 1 A 34 34 THR N N 34 109.658 113.937 -4.279 1
1 340 . 6 1 1 A 35 35 HIS H H 35 7.215 7.352 -0.137 1
1 341 . 6 1 1 A 35 35 HIS HA H 35 4.852 4.337 0.515 1
1 346 . 6 1 1 A 35 35 HIS C C 35 175.704 176.281 -0.577 1
1 347 . 6 1 1 A 35 35 HIS CA C 35 55.632 58.823 -3.191 1
1 348 . 6 1 1 A 35 35 HIS CB C 35 28.783 29.675 -0.892 1
1 351 . 6 1 1 A 35 35 HIS N N 35 118.639 118.471 0.168 1
1 352 . 6 1 1 A 36 36 THR H H 36 7.818 7.612 0.206 1
1 353 . 6 1 1 A 36 36 THR HA H 36 4.397 4.527 -0.130 1
1 358 . 6 1 1 A 36 36 THR C C 36 175.429 175.291 0.138 1
1 359 . 6 1 1 A 36 36 THR CA C 36 62.294 61.003 1.291 1
1 360 . 6 1 1 A 36 36 THR CB C 36 69.885 69.783 0.102 1
1 362 . 6 1 1 A 36 36 THR N N 36 111.712 111.202 0.510 1
1 363 . 6 1 1 A 37 37 GLY H H 37 8.273 8.029 0.244 1
1 364 . 6 1 1 A 37 37 GLY HA2 H 37 4.055 3.985 0.070 1
1 365 . 6 1 1 A 37 37 GLY HA3 H 37 3.985 3.990 -0.005 1
1 366 . 6 1 1 A 37 37 GLY C C 37 174.325 174.156 0.169 1
1 367 . 6 1 1 A 37 37 GLY CA C 37 45.477 45.728 -0.251 1
1 368 . 6 1 1 A 37 37 GLY N N 37 110.839 111.709 -0.870 1
1 369 . 6 1 1 A 38 38 GLU H H 38 8.210 7.814 0.396 1
1 370 . 6 1 1 A 38 38 GLU HA H 38 4.330 4.419 -0.089 1
1 375 . 6 1 1 A 38 38 GLU C C 38 176.563 176.149 0.414 1
1 376 . 6 1 1 A 38 38 GLU CA C 38 56.675 56.018 0.657 1
1 377 . 6 1 1 A 38 38 GLU CB C 38 30.528 30.956 -0.428 1
1 379 . 6 1 1 A 38 38 GLU N N 38 120.721 120.824 -0.103 1
1 380 . 6 1 1 A 39 39 SER H H 39 8.419 8.661 -0.242 1
1 381 . 6 1 1 A 39 39 SER HA H 39 4.499 4.744 -0.245 1
1 384 . 6 1 1 A 39 39 SER C C 39 174.576 174.858 -0.282 1
1 385 . 6 1 1 A 39 39 SER CA C 39 58.389 58.360 0.029 1
1 386 . 6 1 1 A 39 39 SER CB C 39 64.005 63.658 0.347 1
1 387 . 6 1 1 A 39 39 SER N N 39 116.775 117.971 -1.196 1
1 388 . 6 1 1 A 40 40 GLY H H 40 8.241 8.308 -0.067 1
1 389 . 6 1 1 A 40 40 GLY HA2 H 40 4.166 4.143 0.023 1
1 390 . 6 1 1 A 40 40 GLY HA3 H 40 4.077 4.146 -0.069 1
1 391 . 6 1 1 A 40 40 GLY C C 40 171.716 174.602 -2.886 1
1 392 . 6 1 1 A 40 40 GLY CA C 40 44.659 43.666 0.993 1
1 393 . 6 1 1 A 40 40 GLY N N 40 110.604 111.295 -0.691 1
1 394 . 6 1 1 A 41 41 PRO HA H 41 4.486 4.511 -0.025 1
1 401 . 6 1 1 A 41 41 PRO C C 41 177.364 176.155 1.209 1
1 402 . 6 1 1 A 41 41 PRO CA C 41 63.199 63.736 -0.537 1
1 403 . 6 1 1 A 41 41 PRO CB C 41 32.225 31.802 0.423 1
1 406 . 6 1 1 A 42 42 SER H H 42 8.534 7.834 0.700 1
1 407 . 6 1 1 A 42 42 SER C C 42 174.655 174.005 0.650 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 4.049 4.205 -0.156 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.049 4.207 -0.158 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.520 172.359 2.161 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.474 46.261 -0.787 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.150 8.363 -0.213 1
1 6 . 7 1 1 A 8 8 THR HA H 8 4.390 4.373 0.017 1
1 11 . 7 1 1 A 8 8 THR C C 8 175.239 174.717 0.522 1
1 12 . 7 1 1 A 8 8 THR CA C 8 61.894 61.779 0.115 1
1 13 . 7 1 1 A 8 8 THR CB C 8 69.895 69.149 0.746 1
1 15 . 7 1 1 A 8 8 THR N N 8 112.793 116.529 -3.736 1
1 16 . 7 1 1 A 9 9 GLY H H 9 8.460 8.386 0.074 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 3.935 4.018 -0.083 1
1 18 . 7 1 1 A 9 9 GLY HA3 H 9 3.935 4.021 -0.086 1
1 19 . 7 1 1 A 9 9 GLY C C 9 174.058 174.643 -0.585 1
1 20 . 7 1 1 A 9 9 GLY CA C 9 45.284 45.579 -0.295 1
1 21 . 7 1 1 A 9 9 GLY N N 9 110.999 109.819 1.180 1
1 22 . 7 1 1 A 10 10 GLU H H 10 8.232 8.187 0.045 1
1 23 . 7 1 1 A 10 10 GLU HA H 10 4.221 4.441 -0.220 1
1 28 . 7 1 1 A 10 10 GLU C C 10 176.320 175.437 0.883 1
1 29 . 7 1 1 A 10 10 GLU CA C 10 56.807 55.656 1.151 1
1 30 . 7 1 1 A 10 10 GLU CB C 10 30.485 28.532 1.953 1
1 32 . 7 1 1 A 10 10 GLU N N 10 120.268 119.969 0.299 1
1 33 . 7 1 1 A 11 11 LYS H H 11 8.293 7.105 1.188 1
1 34 . 7 1 1 A 11 11 LYS HA H 11 4.511 4.462 0.049 1
1 43 . 7 1 1 A 11 11 LYS C C 11 173.935 176.437 -2.502 1
1 44 . 7 1 1 A 11 11 LYS CA C 11 53.941 53.952 -0.011 1
1 45 . 7 1 1 A 11 11 LYS CB C 11 32.968 31.868 1.100 1
1 49 . 7 1 1 A 11 11 LYS N N 11 121.633 121.389 0.244 1
1 50 . 7 1 1 A 12 12 PRO HA H 12 4.311 4.315 -0.004 1
1 57 . 7 1 1 A 12 12 PRO C C 12 176.347 175.495 0.852 1
1 58 . 7 1 1 A 12 12 PRO CA C 12 63.422 63.769 -0.347 1
1 59 . 7 1 1 A 12 12 PRO CB C 12 32.261 30.977 1.284 1
1 62 . 7 1 1 A 13 13 TYR H H 13 8.065 7.305 0.760 1
1 63 . 7 1 1 A 13 13 TYR HA H 13 4.593 5.322 -0.729 1
1 70 . 7 1 1 A 13 13 TYR C C 13 174.711 175.092 -0.381 1
1 71 . 7 1 1 A 13 13 TYR CA C 13 57.524 56.743 0.781 1
1 72 . 7 1 1 A 13 13 TYR CB C 13 38.493 40.479 -1.986 1
1 77 . 7 1 1 A 13 13 TYR N N 13 118.480 119.264 -0.784 1
1 78 . 7 1 1 A 14 14 GLU H H 14 8.555 8.801 -0.246 1
1 79 . 7 1 1 A 14 14 GLU HA H 14 4.830 5.407 -0.577 1
1 84 . 7 1 1 A 14 14 GLU C C 14 175.283 175.253 0.030 1
1 85 . 7 1 1 A 14 14 GLU CA C 14 55.294 54.606 0.688 1
1 86 . 7 1 1 A 14 14 GLU CB C 14 32.651 33.598 -0.947 1
1 88 . 7 1 1 A 14 14 GLU N N 14 124.223 122.866 1.357 1
1 89 . 7 1 1 A 15 15 CYS H H 15 9.054 9.157 -0.103 1
1 90 . 7 1 1 A 15 15 CYS HA H 15 4.519 4.726 -0.207 1
1 93 . 7 1 1 A 15 15 CYS C C 15 176.371 174.753 1.618 1
1 94 . 7 1 1 A 15 15 CYS CA C 15 59.775 58.989 0.786 1
1 95 . 7 1 1 A 15 15 CYS CB C 15 29.834 29.117 0.717 1
1 96 . 7 1 1 A 15 15 CYS N N 15 126.124 123.574 2.550 1
1 97 . 7 1 1 A 16 16 ASN H H 16 9.145 9.076 0.069 1
1 98 . 7 1 1 A 16 16 ASN HA H 16 4.664 5.073 -0.409 1
1 103 . 7 1 1 A 16 16 ASN C C 16 175.434 176.077 -0.643 1
1 104 . 7 1 1 A 16 16 ASN CA C 16 55.450 54.192 1.258 1
1 105 . 7 1 1 A 16 16 ASN CB C 16 38.367 40.689 -2.322 1
1 106 . 7 1 1 A 16 16 ASN N N 16 128.375 121.666 6.709 1
1 108 . 7 1 1 A 17 17 GLU H H 17 8.940 7.951 0.989 1
1 109 . 7 1 1 A 17 17 GLU HA H 17 4.309 4.058 0.251 1
1 114 . 7 1 1 A 17 17 GLU C C 17 176.943 178.101 -1.158 1
1 115 . 7 1 1 A 17 17 GLU CA C 17 58.075 58.919 -0.844 1
1 116 . 7 1 1 A 17 17 GLU CB C 17 30.005 29.797 0.208 1
1 118 . 7 1 1 A 17 17 GLU N N 17 121.278 119.507 1.771 1
1 119 . 7 1 1 A 18 18 CYS H H 18 7.884 7.814 0.070 1
1 120 . 7 1 1 A 18 18 CYS HA H 18 5.030 4.487 0.543 1
1 123 . 7 1 1 A 18 18 CYS C C 18 174.784 174.738 0.046 1
1 124 . 7 1 1 A 18 18 CYS CA C 18 58.712 59.264 -0.552 1
1 125 . 7 1 1 A 18 18 CYS CB C 18 31.646 29.171 2.475 1
1 126 . 7 1 1 A 18 18 CYS N N 18 116.336 114.846 1.490 1
1 127 . 7 1 1 A 19 19 GLN H H 19 8.117 7.995 0.122 1
1 128 . 7 1 1 A 19 19 GLN HA H 19 4.176 3.893 0.283 1
1 135 . 7 1 1 A 19 19 GLN C C 19 175.071 174.523 0.548 1
1 136 . 7 1 1 A 19 19 GLN CA C 19 58.561 56.892 1.669 1
1 137 . 7 1 1 A 19 19 GLN CB C 19 26.375 26.183 0.192 1
1 139 . 7 1 1 A 19 19 GLN N N 19 116.253 116.438 -0.185 1
1 141 . 7 1 1 A 20 20 LYS H H 20 7.920 7.981 -0.061 1
1 142 . 7 1 1 A 20 20 LYS HA H 20 4.106 4.684 -0.578 1
1 151 . 7 1 1 A 20 20 LYS C C 20 173.942 175.419 -1.477 1
1 152 . 7 1 1 A 20 20 LYS CA C 20 57.784 54.628 3.156 1
1 153 . 7 1 1 A 20 20 LYS CB C 20 34.257 34.476 -0.219 1
1 157 . 7 1 1 A 20 20 LYS N N 20 121.537 117.860 3.677 1
1 158 . 7 1 1 A 21 21 ALA H H 21 7.796 8.358 -0.562 1
1 159 . 7 1 1 A 21 21 ALA HA H 21 5.070 5.483 -0.413 1
1 163 . 7 1 1 A 21 21 ALA C C 21 176.123 175.234 0.889 1
1 164 . 7 1 1 A 21 21 ALA CA C 21 50.530 50.512 0.018 1
1 165 . 7 1 1 A 21 21 ALA CB C 21 22.271 22.374 -0.103 1
1 166 . 7 1 1 A 21 21 ALA N N 21 123.395 120.798 2.597 1
1 167 . 7 1 1 A 22 22 PHE H H 22 8.662 8.890 -0.228 1
1 168 . 7 1 1 A 22 22 PHE HA H 22 4.679 4.914 -0.235 1
1 176 . 7 1 1 A 22 22 PHE C C 22 175.069 175.660 -0.591 1
1 177 . 7 1 1 A 22 22 PHE CA C 22 57.458 56.407 1.051 1
1 178 . 7 1 1 A 22 22 PHE CB C 22 44.024 42.930 1.094 1
1 184 . 7 1 1 A 22 22 PHE N N 22 116.451 118.075 -1.624 1
1 185 . 7 1 1 A 23 23 ASN HA H 23 4.887 4.788 0.099 1
1 190 . 7 1 1 A 23 23 ASN C C 23 175.404 175.524 -0.120 1
1 191 . 7 1 1 A 23 23 ASN CA C 23 55.197 55.689 -0.492 1
1 192 . 7 1 1 A 23 23 ASN CB C 23 39.066 39.127 -0.061 1
1 194 . 7 1 1 A 24 24 THR H H 24 7.425 7.793 -0.368 1
1 195 . 7 1 1 A 24 24 THR HA H 24 4.766 4.504 0.262 1
1 200 . 7 1 1 A 24 24 THR C C 24 173.616 174.777 -1.161 1
1 201 . 7 1 1 A 24 24 THR CA C 24 58.695 59.181 -0.486 1
1 202 . 7 1 1 A 24 24 THR CB C 24 72.730 71.651 1.079 1
1 204 . 7 1 1 A 24 24 THR N N 24 106.491 108.526 -2.035 1
1 205 . 7 1 1 A 25 25 LYS H H 25 8.323 8.549 -0.226 1
1 206 . 7 1 1 A 25 25 LYS HA H 25 3.194 3.408 -0.214 1
1 215 . 7 1 1 A 25 25 LYS C C 25 178.784 177.646 1.138 1
1 216 . 7 1 1 A 25 25 LYS CA C 25 58.821 58.887 -0.066 1
1 217 . 7 1 1 A 25 25 LYS CB C 25 31.835 32.431 -0.596 1
1 221 . 7 1 1 A 25 25 LYS N N 25 124.117 122.584 1.533 1
1 222 . 7 1 1 A 26 26 SER H H 26 8.351 7.912 0.439 1
1 223 . 7 1 1 A 26 26 SER HA H 26 4.066 4.023 0.043 1
1 226 . 7 1 1 A 26 26 SER C C 26 176.574 177.099 -0.525 1
1 227 . 7 1 1 A 26 26 SER CA C 26 61.540 61.238 0.302 1
1 228 . 7 1 1 A 26 26 SER CB C 26 62.205 62.970 -0.765 1
1 229 . 7 1 1 A 26 26 SER N N 26 113.534 114.083 -0.549 1
1 230 . 7 1 1 A 27 27 ASN H H 27 7.720 8.034 -0.314 1
1 231 . 7 1 1 A 27 27 ASN HA H 27 4.461 4.409 0.052 1
1 236 . 7 1 1 A 27 27 ASN C C 27 178.233 177.166 1.067 1
1 237 . 7 1 1 A 27 27 ASN CA C 27 55.387 56.608 -1.221 1
1 238 . 7 1 1 A 27 27 ASN CB C 27 37.652 38.943 -1.291 1
1 239 . 7 1 1 A 27 27 ASN N N 27 119.042 119.534 -0.492 1
1 241 . 7 1 1 A 28 28 LEU H H 28 7.445 7.681 -0.236 1
1 242 . 7 1 1 A 28 28 LEU HA H 28 3.276 3.211 0.065 1
1 252 . 7 1 1 A 28 28 LEU C C 28 177.423 178.148 -0.725 1
1 253 . 7 1 1 A 28 28 LEU CA C 28 58.231 57.864 0.367 1
1 254 . 7 1 1 A 28 28 LEU CB C 28 40.386 41.730 -1.344 1
1 258 . 7 1 1 A 28 28 LEU N N 28 122.869 120.137 2.732 1
1 259 . 7 1 1 A 29 29 MET H H 29 8.332 8.319 0.013 1
1 260 . 7 1 1 A 29 29 MET HA H 29 4.187 4.097 0.090 1
1 268 . 7 1 1 A 29 29 MET C C 29 179.451 178.525 0.926 1
1 269 . 7 1 1 A 29 29 MET CA C 29 59.047 58.407 0.640 1
1 270 . 7 1 1 A 29 29 MET CB C 29 32.224 32.129 0.095 1
1 273 . 7 1 1 A 29 29 MET N N 29 118.924 117.795 1.129 1
1 274 . 7 1 1 A 30 30 VAL H H 30 7.797 7.540 0.257 1
1 275 . 7 1 1 A 30 30 VAL HA H 30 3.523 3.714 -0.191 1
1 283 . 7 1 1 A 30 30 VAL C C 30 179.004 177.886 1.118 1
1 284 . 7 1 1 A 30 30 VAL CA C 30 66.614 65.727 0.887 1
1 285 . 7 1 1 A 30 30 VAL CB C 30 32.139 30.961 1.178 1
1 288 . 7 1 1 A 30 30 VAL N N 30 119.346 120.671 -1.325 1
1 289 . 7 1 1 A 31 31 HIS H H 31 7.373 8.024 -0.651 1
1 290 . 7 1 1 A 31 31 HIS HA H 31 4.217 4.064 0.153 1
1 295 . 7 1 1 A 31 31 HIS C C 31 178.166 177.085 1.081 1
1 296 . 7 1 1 A 31 31 HIS CA C 31 59.194 58.544 0.650 1
1 297 . 7 1 1 A 31 31 HIS CB C 31 28.095 30.022 -1.927 1
1 300 . 7 1 1 A 31 31 HIS N N 31 119.317 119.621 -0.304 1
1 301 . 7 1 1 A 32 32 GLN H H 32 8.912 7.542 1.370 1
1 302 . 7 1 1 A 32 32 GLN HA H 32 3.660 3.925 -0.265 1
1 309 . 7 1 1 A 32 32 GLN C C 32 177.784 178.590 -0.806 1
1 310 . 7 1 1 A 32 32 GLN CA C 32 59.952 58.890 1.062 1
1 311 . 7 1 1 A 32 32 GLN CB C 32 28.263 28.488 -0.225 1
1 313 . 7 1 1 A 32 32 GLN N N 32 120.179 118.202 1.977 1
1 315 . 7 1 1 A 33 33 ARG H H 33 7.262 7.624 -0.362 1
1 316 . 7 1 1 A 33 33 ARG HA H 33 4.208 4.070 0.138 1
1 323 . 7 1 1 A 33 33 ARG C C 33 178.239 177.859 0.380 1
1 324 . 7 1 1 A 33 33 ARG CA C 33 58.523 58.421 0.102 1
1 325 . 7 1 1 A 33 33 ARG CB C 33 29.988 30.022 -0.034 1
1 328 . 7 1 1 A 33 33 ARG N N 33 117.576 118.586 -1.010 1
1 329 . 7 1 1 A 34 34 THR H H 34 7.797 7.545 0.252 1
1 330 . 7 1 1 A 34 34 THR HA H 34 4.142 3.962 0.180 1
1 335 . 7 1 1 A 34 34 THR C C 34 175.641 176.587 -0.946 1
1 336 . 7 1 1 A 34 34 THR CA C 34 63.920 65.389 -1.469 1
1 337 . 7 1 1 A 34 34 THR CB C 34 69.413 67.975 1.438 1
1 339 . 7 1 1 A 34 34 THR N N 34 109.658 111.312 -1.654 1
1 340 . 7 1 1 A 35 35 HIS H H 35 7.215 8.014 -0.799 1
1 341 . 7 1 1 A 35 35 HIS HA H 35 4.852 4.247 0.605 1
1 346 . 7 1 1 A 35 35 HIS C C 35 175.704 176.297 -0.593 1
1 347 . 7 1 1 A 35 35 HIS CA C 35 55.632 58.896 -3.264 1
1 348 . 7 1 1 A 35 35 HIS CB C 35 28.783 29.860 -1.077 1
1 351 . 7 1 1 A 35 35 HIS N N 35 118.639 119.661 -1.022 1
1 352 . 7 1 1 A 36 36 THR H H 36 7.818 7.721 0.097 1
1 353 . 7 1 1 A 36 36 THR HA H 36 4.397 4.172 0.225 1
1 358 . 7 1 1 A 36 36 THR C C 36 175.429 173.641 1.788 1
1 359 . 7 1 1 A 36 36 THR CA C 36 62.294 63.418 -1.124 1
1 360 . 7 1 1 A 36 36 THR CB C 36 69.885 69.355 0.530 1
1 362 . 7 1 1 A 36 36 THR N N 36 111.712 112.674 -0.962 1
1 363 . 7 1 1 A 37 37 GLY H H 37 8.273 8.502 -0.229 1
1 364 . 7 1 1 A 37 37 GLY HA2 H 37 4.055 4.174 -0.119 1
1 365 . 7 1 1 A 37 37 GLY HA3 H 37 3.985 4.175 -0.190 1
1 366 . 7 1 1 A 37 37 GLY C C 37 174.325 171.833 2.492 1
1 367 . 7 1 1 A 37 37 GLY CA C 37 45.477 45.602 -0.125 1
1 368 . 7 1 1 A 37 37 GLY N N 37 110.839 112.267 -1.428 1
1 369 . 7 1 1 A 38 38 GLU H H 38 8.210 8.646 -0.436 1
1 370 . 7 1 1 A 38 38 GLU HA H 38 4.330 4.816 -0.486 1
1 375 . 7 1 1 A 38 38 GLU C C 38 176.563 175.522 1.041 1
1 376 . 7 1 1 A 38 38 GLU CA C 38 56.675 55.012 1.663 1
1 377 . 7 1 1 A 38 38 GLU CB C 38 30.528 30.793 -0.265 1
1 379 . 7 1 1 A 38 38 GLU N N 38 120.721 124.054 -3.333 1
1 380 . 7 1 1 A 39 39 SER H H 39 8.419 8.497 -0.078 1
1 381 . 7 1 1 A 39 39 SER HA H 39 4.499 4.443 0.056 1
1 384 . 7 1 1 A 39 39 SER C C 39 174.576 174.520 0.056 1
1 385 . 7 1 1 A 39 39 SER CA C 39 58.389 60.302 -1.913 1
1 386 . 7 1 1 A 39 39 SER CB C 39 64.005 63.469 0.536 1
1 387 . 7 1 1 A 39 39 SER N N 39 116.775 122.467 -5.692 1
1 388 . 7 1 1 A 40 40 GLY H H 40 8.241 8.726 -0.485 1
1 389 . 7 1 1 A 40 40 GLY HA2 H 40 4.166 4.458 -0.292 1
1 390 . 7 1 1 A 40 40 GLY HA3 H 40 4.077 4.459 -0.382 1
1 391 . 7 1 1 A 40 40 GLY C C 40 171.716 172.257 -0.541 1
1 392 . 7 1 1 A 40 40 GLY CA C 40 44.659 45.399 -0.740 1
1 393 . 7 1 1 A 40 40 GLY N N 40 110.604 114.063 -3.459 1
1 394 . 7 1 1 A 41 41 PRO HA H 41 4.486 4.610 -0.124 1
1 401 . 7 1 1 A 41 41 PRO C C 41 177.364 176.418 0.946 1
1 402 . 7 1 1 A 41 41 PRO CA C 41 63.199 62.778 0.421 1
1 403 . 7 1 1 A 41 41 PRO CB C 41 32.225 31.772 0.453 1
1 406 . 7 1 1 A 42 42 SER H H 42 8.534 8.508 0.026 1
1 407 . 7 1 1 A 42 42 SER C C 42 174.655 173.888 0.767 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 4.049 4.166 -0.117 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.049 4.167 -0.118 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.520 171.905 2.615 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.474 45.831 -0.357 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.150 9.077 -0.927 1
1 6 . 8 1 1 A 8 8 THR HA H 8 4.390 4.879 -0.489 1
1 11 . 8 1 1 A 8 8 THR C C 8 175.239 173.823 1.416 1
1 12 . 8 1 1 A 8 8 THR CA C 8 61.894 60.993 0.901 1
1 13 . 8 1 1 A 8 8 THR CB C 8 69.895 72.309 -2.414 1
1 15 . 8 1 1 A 8 8 THR N N 8 112.793 119.302 -6.509 1
1 16 . 8 1 1 A 9 9 GLY H H 9 8.460 9.111 -0.651 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 3.935 3.944 -0.009 1
1 18 . 8 1 1 A 9 9 GLY HA3 H 9 3.935 3.946 -0.011 1
1 19 . 8 1 1 A 9 9 GLY C C 9 174.058 173.649 0.409 1
1 20 . 8 1 1 A 9 9 GLY CA C 9 45.284 47.020 -1.736 1
1 21 . 8 1 1 A 9 9 GLY N N 9 110.999 114.571 -3.572 1
1 22 . 8 1 1 A 10 10 GLU H H 10 8.232 7.718 0.514 1
1 23 . 8 1 1 A 10 10 GLU HA H 10 4.221 4.216 0.005 1
1 28 . 8 1 1 A 10 10 GLU C C 10 176.320 176.515 -0.195 1
1 29 . 8 1 1 A 10 10 GLU CA C 10 56.807 57.350 -0.543 1
1 30 . 8 1 1 A 10 10 GLU CB C 10 30.485 29.921 0.564 1
1 32 . 8 1 1 A 10 10 GLU N N 10 120.268 122.265 -1.997 1
1 33 . 8 1 1 A 11 11 LYS H H 11 8.293 8.750 -0.457 1
1 34 . 8 1 1 A 11 11 LYS HA H 11 4.511 4.401 0.110 1
1 43 . 8 1 1 A 11 11 LYS C C 11 173.935 176.528 -2.593 1
1 44 . 8 1 1 A 11 11 LYS CA C 11 53.941 54.359 -0.418 1
1 45 . 8 1 1 A 11 11 LYS CB C 11 32.968 32.011 0.957 1
1 49 . 8 1 1 A 11 11 LYS N N 11 121.633 123.418 -1.785 1
1 50 . 8 1 1 A 12 12 PRO HA H 12 4.311 4.322 -0.011 1
1 57 . 8 1 1 A 12 12 PRO C C 12 176.347 175.486 0.861 1
1 58 . 8 1 1 A 12 12 PRO CA C 12 63.422 63.956 -0.534 1
1 59 . 8 1 1 A 12 12 PRO CB C 12 32.261 31.155 1.106 1
1 62 . 8 1 1 A 13 13 TYR H H 13 8.065 7.421 0.644 1
1 63 . 8 1 1 A 13 13 TYR HA H 13 4.593 5.356 -0.763 1
1 70 . 8 1 1 A 13 13 TYR C C 13 174.711 175.044 -0.333 1
1 71 . 8 1 1 A 13 13 TYR CA C 13 57.524 56.957 0.567 1
1 72 . 8 1 1 A 13 13 TYR CB C 13 38.493 41.743 -3.250 1
1 77 . 8 1 1 A 13 13 TYR N N 13 118.480 118.466 0.014 1
1 78 . 8 1 1 A 14 14 GLU H H 14 8.555 8.722 -0.167 1
1 79 . 8 1 1 A 14 14 GLU HA H 14 4.830 5.417 -0.587 1
1 84 . 8 1 1 A 14 14 GLU C C 14 175.283 175.164 0.119 1
1 85 . 8 1 1 A 14 14 GLU CA C 14 55.294 55.000 0.294 1
1 86 . 8 1 1 A 14 14 GLU CB C 14 32.651 33.729 -1.078 1
1 88 . 8 1 1 A 14 14 GLU N N 14 124.223 121.905 2.318 1
1 89 . 8 1 1 A 15 15 CYS H H 15 9.054 9.589 -0.535 1
1 90 . 8 1 1 A 15 15 CYS HA H 15 4.519 4.746 -0.227 1
1 93 . 8 1 1 A 15 15 CYS C C 15 176.371 174.651 1.720 1
1 94 . 8 1 1 A 15 15 CYS CA C 15 59.775 58.907 0.868 1
1 95 . 8 1 1 A 15 15 CYS CB C 15 29.834 29.222 0.612 1
1 96 . 8 1 1 A 15 15 CYS N N 15 126.124 123.543 2.581 1
1 97 . 8 1 1 A 16 16 ASN H H 16 9.145 8.928 0.217 1
1 98 . 8 1 1 A 16 16 ASN HA H 16 4.664 5.027 -0.363 1
1 103 . 8 1 1 A 16 16 ASN C C 16 175.434 176.650 -1.216 1
1 104 . 8 1 1 A 16 16 ASN CA C 16 55.450 54.230 1.220 1
1 105 . 8 1 1 A 16 16 ASN CB C 16 38.367 40.447 -2.080 1
1 106 . 8 1 1 A 16 16 ASN N N 16 128.375 121.974 6.401 1
1 108 . 8 1 1 A 17 17 GLU H H 17 8.940 8.430 0.510 1
1 109 . 8 1 1 A 17 17 GLU HA H 17 4.309 4.043 0.266 1
1 114 . 8 1 1 A 17 17 GLU C C 17 176.943 178.251 -1.308 1
1 115 . 8 1 1 A 17 17 GLU CA C 17 58.075 58.758 -0.683 1
1 116 . 8 1 1 A 17 17 GLU CB C 17 30.005 29.778 0.227 1
1 118 . 8 1 1 A 17 17 GLU N N 17 121.278 119.918 1.360 1
1 119 . 8 1 1 A 18 18 CYS H H 18 7.884 7.897 -0.013 1
1 120 . 8 1 1 A 18 18 CYS HA H 18 5.030 4.513 0.517 1
1 123 . 8 1 1 A 18 18 CYS C C 18 174.784 174.521 0.263 1
1 124 . 8 1 1 A 18 18 CYS CA C 18 58.712 59.016 -0.304 1
1 125 . 8 1 1 A 18 18 CYS CB C 18 31.646 28.982 2.664 1
1 126 . 8 1 1 A 18 18 CYS N N 18 116.336 115.406 0.930 1
1 127 . 8 1 1 A 19 19 GLN H H 19 8.117 8.002 0.115 1
1 128 . 8 1 1 A 19 19 GLN HA H 19 4.176 4.183 -0.007 1
1 135 . 8 1 1 A 19 19 GLN C C 19 175.071 174.070 1.001 1
1 136 . 8 1 1 A 19 19 GLN CA C 19 58.561 57.071 1.490 1
1 137 . 8 1 1 A 19 19 GLN CB C 19 26.375 26.326 0.049 1
1 139 . 8 1 1 A 19 19 GLN N N 19 116.253 116.386 -0.133 1
1 141 . 8 1 1 A 20 20 LYS H H 20 7.920 7.939 -0.019 1
1 142 . 8 1 1 A 20 20 LYS HA H 20 4.106 4.621 -0.515 1
1 151 . 8 1 1 A 20 20 LYS C C 20 173.942 175.638 -1.696 1
1 152 . 8 1 1 A 20 20 LYS CA C 20 57.784 55.784 2.000 1
1 153 . 8 1 1 A 20 20 LYS CB C 20 34.257 33.894 0.363 1
1 157 . 8 1 1 A 20 20 LYS N N 20 121.537 119.419 2.118 1
1 158 . 8 1 1 A 21 21 ALA H H 21 7.796 8.452 -0.656 1
1 159 . 8 1 1 A 21 21 ALA HA H 21 5.070 5.340 -0.270 1
1 163 . 8 1 1 A 21 21 ALA C C 21 176.123 176.865 -0.742 1
1 164 . 8 1 1 A 21 21 ALA CA C 21 50.530 51.424 -0.894 1
1 165 . 8 1 1 A 21 21 ALA CB C 21 22.271 20.611 1.660 1
1 166 . 8 1 1 A 21 21 ALA N N 21 123.395 126.868 -3.473 1
1 167 . 8 1 1 A 22 22 PHE H H 22 8.662 8.535 0.127 1
1 168 . 8 1 1 A 22 22 PHE HA H 22 4.679 4.903 -0.224 1
1 176 . 8 1 1 A 22 22 PHE C C 22 175.069 175.944 -0.875 1
1 177 . 8 1 1 A 22 22 PHE CA C 22 57.458 56.582 0.876 1
1 178 . 8 1 1 A 22 22 PHE CB C 22 44.024 42.094 1.930 1
1 184 . 8 1 1 A 22 22 PHE N N 22 116.451 118.387 -1.936 1
1 185 . 8 1 1 A 23 23 ASN HA H 23 4.887 4.495 0.392 1
1 190 . 8 1 1 A 23 23 ASN C C 23 175.404 175.570 -0.166 1
1 191 . 8 1 1 A 23 23 ASN CA C 23 55.197 56.241 -1.044 1
1 192 . 8 1 1 A 23 23 ASN CB C 23 39.066 37.876 1.190 1
1 194 . 8 1 1 A 24 24 THR H H 24 7.425 7.672 -0.247 1
1 195 . 8 1 1 A 24 24 THR HA H 24 4.766 4.122 0.644 1
1 200 . 8 1 1 A 24 24 THR C C 24 173.616 174.498 -0.882 1
1 201 . 8 1 1 A 24 24 THR CA C 24 58.695 58.859 -0.164 1
1 202 . 8 1 1 A 24 24 THR CB C 24 72.730 71.342 1.388 1
1 204 . 8 1 1 A 24 24 THR N N 24 106.491 109.898 -3.407 1
1 205 . 8 1 1 A 25 25 LYS H H 25 8.323 8.307 0.016 1
1 206 . 8 1 1 A 25 25 LYS HA H 25 3.194 3.597 -0.403 1
1 215 . 8 1 1 A 25 25 LYS C C 25 178.784 177.848 0.936 1
1 216 . 8 1 1 A 25 25 LYS CA C 25 58.821 59.586 -0.765 1
1 217 . 8 1 1 A 25 25 LYS CB C 25 31.835 32.286 -0.451 1
1 221 . 8 1 1 A 25 25 LYS N N 25 124.117 122.548 1.569 1
1 222 . 8 1 1 A 26 26 SER H H 26 8.351 8.094 0.257 1
1 223 . 8 1 1 A 26 26 SER HA H 26 4.066 4.031 0.035 1
1 226 . 8 1 1 A 26 26 SER C C 26 176.574 176.918 -0.344 1
1 227 . 8 1 1 A 26 26 SER CA C 26 61.540 61.704 -0.164 1
1 228 . 8 1 1 A 26 26 SER CB C 26 62.205 63.113 -0.908 1
1 229 . 8 1 1 A 26 26 SER N N 26 113.534 113.676 -0.142 1
1 230 . 8 1 1 A 27 27 ASN H H 27 7.720 8.241 -0.521 1
1 231 . 8 1 1 A 27 27 ASN HA H 27 4.461 4.395 0.066 1
1 236 . 8 1 1 A 27 27 ASN C C 27 178.233 177.291 0.942 1
1 237 . 8 1 1 A 27 27 ASN CA C 27 55.387 56.712 -1.325 1
1 238 . 8 1 1 A 27 27 ASN CB C 27 37.652 39.073 -1.421 1
1 239 . 8 1 1 A 27 27 ASN N N 27 119.042 119.241 -0.199 1
1 241 . 8 1 1 A 28 28 LEU H H 28 7.445 7.744 -0.299 1
1 242 . 8 1 1 A 28 28 LEU HA H 28 3.276 2.598 0.678 1
1 252 . 8 1 1 A 28 28 LEU C C 28 177.423 178.131 -0.708 1
1 253 . 8 1 1 A 28 28 LEU CA C 28 58.231 57.405 0.826 1
1 254 . 8 1 1 A 28 28 LEU CB C 28 40.386 40.950 -0.564 1
1 258 . 8 1 1 A 28 28 LEU N N 28 122.869 119.984 2.885 1
1 259 . 8 1 1 A 29 29 MET H H 29 8.332 8.500 -0.168 1
1 260 . 8 1 1 A 29 29 MET HA H 29 4.187 4.012 0.175 1
1 268 . 8 1 1 A 29 29 MET C C 29 179.451 178.438 1.013 1
1 269 . 8 1 1 A 29 29 MET CA C 29 59.047 58.502 0.545 1
1 270 . 8 1 1 A 29 29 MET CB C 29 32.224 32.506 -0.282 1
1 273 . 8 1 1 A 29 29 MET N N 29 118.924 117.221 1.703 1
1 274 . 8 1 1 A 30 30 VAL H H 30 7.797 8.320 -0.523 1
1 275 . 8 1 1 A 30 30 VAL HA H 30 3.523 3.548 -0.025 1
1 283 . 8 1 1 A 30 30 VAL C C 30 179.004 178.181 0.823 1
1 284 . 8 1 1 A 30 30 VAL CA C 30 66.614 66.158 0.456 1
1 285 . 8 1 1 A 30 30 VAL CB C 30 32.139 31.394 0.745 1
1 288 . 8 1 1 A 30 30 VAL N N 30 119.346 119.804 -0.458 1
1 289 . 8 1 1 A 31 31 HIS H H 31 7.373 7.790 -0.417 1
1 290 . 8 1 1 A 31 31 HIS HA H 31 4.217 4.121 0.096 1
1 295 . 8 1 1 A 31 31 HIS C C 31 178.166 177.096 1.070 1
1 296 . 8 1 1 A 31 31 HIS CA C 31 59.194 60.234 -1.040 1
1 297 . 8 1 1 A 31 31 HIS CB C 31 28.095 29.521 -1.426 1
1 300 . 8 1 1 A 31 31 HIS N N 31 119.317 120.010 -0.693 1
1 301 . 8 1 1 A 32 32 GLN H H 32 8.912 8.157 0.755 1
1 302 . 8 1 1 A 32 32 GLN HA H 32 3.660 3.870 -0.210 1
1 309 . 8 1 1 A 32 32 GLN C C 32 177.784 178.899 -1.115 1
1 310 . 8 1 1 A 32 32 GLN CA C 32 59.952 58.903 1.049 1
1 311 . 8 1 1 A 32 32 GLN CB C 32 28.263 28.287 -0.024 1
1 313 . 8 1 1 A 32 32 GLN N N 32 120.179 117.910 2.269 1
1 315 . 8 1 1 A 33 33 ARG H H 33 7.262 7.745 -0.483 1
1 316 . 8 1 1 A 33 33 ARG HA H 33 4.208 4.037 0.171 1
1 323 . 8 1 1 A 33 33 ARG C C 33 178.239 179.098 -0.859 1
1 324 . 8 1 1 A 33 33 ARG CA C 33 58.523 59.448 -0.925 1
1 325 . 8 1 1 A 33 33 ARG CB C 33 29.988 30.487 -0.499 1
1 328 . 8 1 1 A 33 33 ARG N N 33 117.576 119.896 -2.320 1
1 329 . 8 1 1 A 34 34 THR H H 34 7.797 7.770 0.027 1
1 330 . 8 1 1 A 34 34 THR HA H 34 4.142 4.021 0.121 1
1 335 . 8 1 1 A 34 34 THR C C 34 175.641 175.851 -0.210 1
1 336 . 8 1 1 A 34 34 THR CA C 34 63.920 64.188 -0.268 1
1 337 . 8 1 1 A 34 34 THR CB C 34 69.413 68.482 0.931 1
1 339 . 8 1 1 A 34 34 THR N N 34 109.658 114.091 -4.433 1
1 340 . 8 1 1 A 35 35 HIS H H 35 7.215 7.436 -0.221 1
1 341 . 8 1 1 A 35 35 HIS HA H 35 4.852 4.382 0.470 1
1 346 . 8 1 1 A 35 35 HIS C C 35 175.704 175.505 0.199 1
1 347 . 8 1 1 A 35 35 HIS CA C 35 55.632 58.736 -3.104 1
1 348 . 8 1 1 A 35 35 HIS CB C 35 28.783 30.225 -1.442 1
1 351 . 8 1 1 A 35 35 HIS N N 35 118.639 117.336 1.303 1
1 352 . 8 1 1 A 36 36 THR H H 36 7.818 7.122 0.696 1
1 353 . 8 1 1 A 36 36 THR HA H 36 4.397 4.406 -0.009 1
1 358 . 8 1 1 A 36 36 THR C C 36 175.429 174.807 0.622 1
1 359 . 8 1 1 A 36 36 THR CA C 36 62.294 61.958 0.336 1
1 360 . 8 1 1 A 36 36 THR CB C 36 69.885 69.412 0.473 1
1 362 . 8 1 1 A 36 36 THR N N 36 111.712 110.376 1.336 1
1 363 . 8 1 1 A 37 37 GLY H H 37 8.273 8.304 -0.031 1
1 364 . 8 1 1 A 37 37 GLY HA2 H 37 4.055 4.241 -0.186 1
1 365 . 8 1 1 A 37 37 GLY HA3 H 37 3.985 4.242 -0.257 1
1 366 . 8 1 1 A 37 37 GLY C C 37 174.325 173.274 1.051 1
1 367 . 8 1 1 A 37 37 GLY CA C 37 45.477 46.071 -0.594 1
1 368 . 8 1 1 A 37 37 GLY N N 37 110.839 110.954 -0.115 1
1 369 . 8 1 1 A 38 38 GLU H H 38 8.210 8.559 -0.349 1
1 370 . 8 1 1 A 38 38 GLU HA H 38 4.330 4.576 -0.246 1
1 375 . 8 1 1 A 38 38 GLU C C 38 176.563 176.008 0.555 1
1 376 . 8 1 1 A 38 38 GLU CA C 38 56.675 57.329 -0.654 1
1 377 . 8 1 1 A 38 38 GLU CB C 38 30.528 32.613 -2.085 1
1 379 . 8 1 1 A 38 38 GLU N N 38 120.721 121.360 -0.639 1
1 380 . 8 1 1 A 39 39 SER H H 39 8.419 8.041 0.378 1
1 381 . 8 1 1 A 39 39 SER HA H 39 4.499 4.762 -0.263 1
1 384 . 8 1 1 A 39 39 SER C C 39 174.576 174.656 -0.080 1
1 385 . 8 1 1 A 39 39 SER CA C 39 58.389 56.746 1.643 1
1 386 . 8 1 1 A 39 39 SER CB C 39 64.005 65.251 -1.246 1
1 387 . 8 1 1 A 39 39 SER N N 39 116.775 112.301 4.474 1
1 388 . 8 1 1 A 40 40 GLY H H 40 8.241 8.626 -0.385 1
1 389 . 8 1 1 A 40 40 GLY HA2 H 40 4.166 4.067 0.099 1
1 390 . 8 1 1 A 40 40 GLY HA3 H 40 4.077 4.074 0.003 1
1 391 . 8 1 1 A 40 40 GLY C C 40 171.716 175.059 -3.343 1
1 392 . 8 1 1 A 40 40 GLY CA C 40 44.659 44.268 0.391 1
1 393 . 8 1 1 A 40 40 GLY N N 40 110.604 110.654 -0.050 1
1 394 . 8 1 1 A 41 41 PRO HA H 41 4.486 4.553 -0.067 1
1 401 . 8 1 1 A 41 41 PRO C C 41 177.364 177.804 -0.440 1
1 402 . 8 1 1 A 41 41 PRO CA C 41 63.199 63.513 -0.314 1
1 403 . 8 1 1 A 41 41 PRO CB C 41 32.225 31.942 0.283 1
1 406 . 8 1 1 A 42 42 SER H H 42 8.534 8.132 0.402 1
1 407 . 8 1 1 A 42 42 SER C C 42 174.655 173.755 0.900 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 4.049 4.170 -0.121 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.049 4.171 -0.122 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.520 174.743 -0.223 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.474 45.493 -0.019 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.150 8.603 -0.453 1
1 6 . 9 1 1 A 8 8 THR HA H 8 4.390 3.926 0.464 1
1 11 . 9 1 1 A 8 8 THR C C 8 175.239 174.776 0.463 1
1 12 . 9 1 1 A 8 8 THR CA C 8 61.894 66.049 -4.155 1
1 13 . 9 1 1 A 8 8 THR CB C 8 69.895 68.648 1.247 1
1 15 . 9 1 1 A 8 8 THR N N 8 112.793 115.864 -3.071 1
1 16 . 9 1 1 A 9 9 GLY H H 9 8.460 7.487 0.973 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 3.935 4.022 -0.087 1
1 18 . 9 1 1 A 9 9 GLY HA3 H 9 3.935 4.028 -0.093 1
1 19 . 9 1 1 A 9 9 GLY C C 9 174.058 172.382 1.676 1
1 20 . 9 1 1 A 9 9 GLY CA C 9 45.284 45.631 -0.347 1
1 21 . 9 1 1 A 9 9 GLY N N 9 110.999 105.555 5.444 1
1 22 . 9 1 1 A 10 10 GLU H H 10 8.232 8.546 -0.314 1
1 23 . 9 1 1 A 10 10 GLU HA H 10 4.221 4.569 -0.348 1
1 28 . 9 1 1 A 10 10 GLU C C 10 176.320 174.439 1.881 1
1 29 . 9 1 1 A 10 10 GLU CA C 10 56.807 56.054 0.753 1
1 30 . 9 1 1 A 10 10 GLU CB C 10 30.485 30.060 0.425 1
1 32 . 9 1 1 A 10 10 GLU N N 10 120.268 119.770 0.498 1
1 33 . 9 1 1 A 11 11 LYS H H 11 8.293 7.382 0.911 1
1 34 . 9 1 1 A 11 11 LYS HA H 11 4.511 4.814 -0.303 1
1 43 . 9 1 1 A 11 11 LYS C C 11 173.935 176.156 -2.221 1
1 44 . 9 1 1 A 11 11 LYS CA C 11 53.941 52.901 1.040 1
1 45 . 9 1 1 A 11 11 LYS CB C 11 32.968 34.097 -1.129 1
1 49 . 9 1 1 A 11 11 LYS N N 11 121.633 119.198 2.435 1
1 50 . 9 1 1 A 12 12 PRO HA H 12 4.311 4.358 -0.047 1
1 57 . 9 1 1 A 12 12 PRO C C 12 176.347 175.606 0.741 1
1 58 . 9 1 1 A 12 12 PRO CA C 12 63.422 63.819 -0.397 1
1 59 . 9 1 1 A 12 12 PRO CB C 12 32.261 31.177 1.084 1
1 62 . 9 1 1 A 13 13 TYR H H 13 8.065 7.348 0.717 1
1 63 . 9 1 1 A 13 13 TYR HA H 13 4.593 5.239 -0.646 1
1 70 . 9 1 1 A 13 13 TYR C C 13 174.711 175.011 -0.300 1
1 71 . 9 1 1 A 13 13 TYR CA C 13 57.524 57.417 0.107 1
1 72 . 9 1 1 A 13 13 TYR CB C 13 38.493 40.947 -2.454 1
1 77 . 9 1 1 A 13 13 TYR N N 13 118.480 119.217 -0.737 1
1 78 . 9 1 1 A 14 14 GLU H H 14 8.555 8.750 -0.195 1
1 79 . 9 1 1 A 14 14 GLU HA H 14 4.830 5.020 -0.190 1
1 84 . 9 1 1 A 14 14 GLU C C 14 175.283 175.058 0.225 1
1 85 . 9 1 1 A 14 14 GLU CA C 14 55.294 55.123 0.171 1
1 86 . 9 1 1 A 14 14 GLU CB C 14 32.651 33.651 -1.000 1
1 88 . 9 1 1 A 14 14 GLU N N 14 124.223 121.692 2.531 1
1 89 . 9 1 1 A 15 15 CYS H H 15 9.054 9.150 -0.096 1
1 90 . 9 1 1 A 15 15 CYS HA H 15 4.519 4.713 -0.194 1
1 93 . 9 1 1 A 15 15 CYS C C 15 176.371 174.433 1.938 1
1 94 . 9 1 1 A 15 15 CYS CA C 15 59.775 58.972 0.803 1
1 95 . 9 1 1 A 15 15 CYS CB C 15 29.834 29.086 0.748 1
1 96 . 9 1 1 A 15 15 CYS N N 15 126.124 123.677 2.447 1
1 97 . 9 1 1 A 16 16 ASN H H 16 9.145 9.035 0.110 1
1 98 . 9 1 1 A 16 16 ASN HA H 16 4.664 4.922 -0.258 1
1 103 . 9 1 1 A 16 16 ASN C C 16 175.434 177.384 -1.950 1
1 104 . 9 1 1 A 16 16 ASN CA C 16 55.450 54.632 0.818 1
1 105 . 9 1 1 A 16 16 ASN CB C 16 38.367 40.822 -2.455 1
1 106 . 9 1 1 A 16 16 ASN N N 16 128.375 122.825 5.550 1
1 108 . 9 1 1 A 17 17 GLU H H 17 8.940 8.462 0.478 1
1 109 . 9 1 1 A 17 17 GLU HA H 17 4.309 4.001 0.308 1
1 114 . 9 1 1 A 17 17 GLU C C 17 176.943 178.152 -1.209 1
1 115 . 9 1 1 A 17 17 GLU CA C 17 58.075 58.886 -0.811 1
1 116 . 9 1 1 A 17 17 GLU CB C 17 30.005 29.868 0.137 1
1 118 . 9 1 1 A 17 17 GLU N N 17 121.278 118.397 2.881 1
1 119 . 9 1 1 A 18 18 CYS H H 18 7.884 7.736 0.148 1
1 120 . 9 1 1 A 18 18 CYS HA H 18 5.030 4.469 0.561 1
1 123 . 9 1 1 A 18 18 CYS C C 18 174.784 174.436 0.348 1
1 124 . 9 1 1 A 18 18 CYS CA C 18 58.712 59.189 -0.477 1
1 125 . 9 1 1 A 18 18 CYS CB C 18 31.646 28.988 2.658 1
1 126 . 9 1 1 A 18 18 CYS N N 18 116.336 115.444 0.892 1
1 127 . 9 1 1 A 19 19 GLN H H 19 8.117 7.952 0.165 1
1 128 . 9 1 1 A 19 19 GLN HA H 19 4.176 4.091 0.085 1
1 135 . 9 1 1 A 19 19 GLN C C 19 175.071 174.091 0.980 1
1 136 . 9 1 1 A 19 19 GLN CA C 19 58.561 56.855 1.706 1
1 137 . 9 1 1 A 19 19 GLN CB C 19 26.375 26.228 0.147 1
1 139 . 9 1 1 A 19 19 GLN N N 19 116.253 116.695 -0.442 1
1 141 . 9 1 1 A 20 20 LYS H H 20 7.920 7.959 -0.039 1
1 142 . 9 1 1 A 20 20 LYS HA H 20 4.106 4.715 -0.609 1
1 151 . 9 1 1 A 20 20 LYS C C 20 173.942 175.721 -1.779 1
1 152 . 9 1 1 A 20 20 LYS CA C 20 57.784 54.909 2.875 1
1 153 . 9 1 1 A 20 20 LYS CB C 20 34.257 34.536 -0.279 1
1 157 . 9 1 1 A 20 20 LYS N N 20 121.537 119.276 2.261 1
1 158 . 9 1 1 A 21 21 ALA H H 21 7.796 8.684 -0.888 1
1 159 . 9 1 1 A 21 21 ALA HA H 21 5.070 5.121 -0.051 1
1 163 . 9 1 1 A 21 21 ALA C C 21 176.123 177.135 -1.012 1
1 164 . 9 1 1 A 21 21 ALA CA C 21 50.530 52.096 -1.566 1
1 165 . 9 1 1 A 21 21 ALA CB C 21 22.271 20.020 2.251 1
1 166 . 9 1 1 A 21 21 ALA N N 21 123.395 128.644 -5.249 1
1 167 . 9 1 1 A 22 22 PHE H H 22 8.662 8.528 0.134 1
1 168 . 9 1 1 A 22 22 PHE HA H 22 4.679 4.909 -0.230 1
1 176 . 9 1 1 A 22 22 PHE C C 22 175.069 175.654 -0.585 1
1 177 . 9 1 1 A 22 22 PHE CA C 22 57.458 56.953 0.505 1
1 178 . 9 1 1 A 22 22 PHE CB C 22 44.024 43.414 0.610 1
1 184 . 9 1 1 A 22 22 PHE N N 22 116.451 118.068 -1.617 1
1 185 . 9 1 1 A 23 23 ASN HA H 23 4.887 4.768 0.119 1
1 190 . 9 1 1 A 23 23 ASN C C 23 175.404 175.435 -0.031 1
1 191 . 9 1 1 A 23 23 ASN CA C 23 55.197 55.346 -0.149 1
1 192 . 9 1 1 A 23 23 ASN CB C 23 39.066 39.123 -0.057 1
1 194 . 9 1 1 A 24 24 THR H H 24 7.425 7.577 -0.152 1
1 195 . 9 1 1 A 24 24 THR HA H 24 4.766 4.060 0.706 1
1 200 . 9 1 1 A 24 24 THR C C 24 173.616 174.387 -0.771 1
1 201 . 9 1 1 A 24 24 THR CA C 24 58.695 58.882 -0.187 1
1 202 . 9 1 1 A 24 24 THR CB C 24 72.730 72.162 0.568 1
1 204 . 9 1 1 A 24 24 THR N N 24 106.491 107.752 -1.261 1
1 205 . 9 1 1 A 25 25 LYS H H 25 8.323 8.260 0.063 1
1 206 . 9 1 1 A 25 25 LYS HA H 25 3.194 3.646 -0.452 1
1 215 . 9 1 1 A 25 25 LYS C C 25 178.784 178.273 0.511 1
1 216 . 9 1 1 A 25 25 LYS CA C 25 58.821 59.697 -0.876 1
1 217 . 9 1 1 A 25 25 LYS CB C 25 31.835 32.212 -0.377 1
1 221 . 9 1 1 A 25 25 LYS N N 25 124.117 122.483 1.634 1
1 222 . 9 1 1 A 26 26 SER H H 26 8.351 8.125 0.226 1
1 223 . 9 1 1 A 26 26 SER HA H 26 4.066 4.064 0.002 1
1 226 . 9 1 1 A 26 26 SER C C 26 176.574 176.542 0.032 1
1 227 . 9 1 1 A 26 26 SER CA C 26 61.540 61.749 -0.209 1
1 228 . 9 1 1 A 26 26 SER CB C 26 62.205 62.667 -0.462 1
1 229 . 9 1 1 A 26 26 SER N N 26 113.534 115.885 -2.351 1
1 230 . 9 1 1 A 27 27 ASN H H 27 7.720 8.006 -0.286 1
1 231 . 9 1 1 A 27 27 ASN HA H 27 4.461 4.380 0.081 1
1 236 . 9 1 1 A 27 27 ASN C C 27 178.233 177.766 0.467 1
1 237 . 9 1 1 A 27 27 ASN CA C 27 55.387 56.323 -0.936 1
1 238 . 9 1 1 A 27 27 ASN CB C 27 37.652 38.463 -0.811 1
1 239 . 9 1 1 A 27 27 ASN N N 27 119.042 120.530 -1.488 1
1 241 . 9 1 1 A 28 28 LEU H H 28 7.445 7.419 0.026 1
1 242 . 9 1 1 A 28 28 LEU HA H 28 3.276 2.975 0.301 1
1 252 . 9 1 1 A 28 28 LEU C C 28 177.423 178.240 -0.817 1
1 253 . 9 1 1 A 28 28 LEU CA C 28 58.231 57.580 0.651 1
1 254 . 9 1 1 A 28 28 LEU CB C 28 40.386 41.008 -0.622 1
1 258 . 9 1 1 A 28 28 LEU N N 28 122.869 121.048 1.821 1
1 259 . 9 1 1 A 29 29 MET H H 29 8.332 8.566 -0.234 1
1 260 . 9 1 1 A 29 29 MET HA H 29 4.187 3.991 0.196 1
1 268 . 9 1 1 A 29 29 MET C C 29 179.451 178.541 0.910 1
1 269 . 9 1 1 A 29 29 MET CA C 29 59.047 58.737 0.310 1
1 270 . 9 1 1 A 29 29 MET CB C 29 32.224 32.294 -0.070 1
1 273 . 9 1 1 A 29 29 MET N N 29 118.924 117.394 1.530 1
1 274 . 9 1 1 A 30 30 VAL H H 30 7.797 7.917 -0.120 1
1 275 . 9 1 1 A 30 30 VAL HA H 30 3.523 3.640 -0.117 1
1 283 . 9 1 1 A 30 30 VAL C C 30 179.004 178.400 0.604 1
1 284 . 9 1 1 A 30 30 VAL CA C 30 66.614 66.245 0.369 1
1 285 . 9 1 1 A 30 30 VAL CB C 30 32.139 31.548 0.591 1
1 288 . 9 1 1 A 30 30 VAL N N 30 119.346 119.660 -0.314 1
1 289 . 9 1 1 A 31 31 HIS H H 31 7.373 7.963 -0.590 1
1 290 . 9 1 1 A 31 31 HIS HA H 31 4.217 4.062 0.155 1
1 295 . 9 1 1 A 31 31 HIS C C 31 178.166 176.411 1.755 1
1 296 . 9 1 1 A 31 31 HIS CA C 31 59.194 59.658 -0.464 1
1 297 . 9 1 1 A 31 31 HIS CB C 31 28.095 29.769 -1.674 1
1 300 . 9 1 1 A 31 31 HIS N N 31 119.317 119.748 -0.431 1
1 301 . 9 1 1 A 32 32 GLN H H 32 8.912 8.531 0.381 1
1 302 . 9 1 1 A 32 32 GLN HA H 32 3.660 3.738 -0.078 1
1 309 . 9 1 1 A 32 32 GLN C C 32 177.784 178.440 -0.656 1
1 310 . 9 1 1 A 32 32 GLN CA C 32 59.952 59.234 0.718 1
1 311 . 9 1 1 A 32 32 GLN CB C 32 28.263 28.292 -0.029 1
1 313 . 9 1 1 A 32 32 GLN N N 32 120.179 117.007 3.172 1
1 315 . 9 1 1 A 33 33 ARG H H 33 7.262 7.512 -0.250 1
1 316 . 9 1 1 A 33 33 ARG HA H 33 4.208 3.946 0.262 1
1 323 . 9 1 1 A 33 33 ARG C C 33 178.239 178.483 -0.244 1
1 324 . 9 1 1 A 33 33 ARG CA C 33 58.523 59.502 -0.979 1
1 325 . 9 1 1 A 33 33 ARG CB C 33 29.988 29.961 0.027 1
1 328 . 9 1 1 A 33 33 ARG N N 33 117.576 119.750 -2.174 1
1 329 . 9 1 1 A 34 34 THR H H 34 7.797 8.188 -0.391 1
1 330 . 9 1 1 A 34 34 THR HA H 34 4.142 4.045 0.097 1
1 335 . 9 1 1 A 34 34 THR C C 34 175.641 176.982 -1.341 1
1 336 . 9 1 1 A 34 34 THR CA C 34 63.920 65.498 -1.578 1
1 337 . 9 1 1 A 34 34 THR CB C 34 69.413 68.062 1.351 1
1 339 . 9 1 1 A 34 34 THR N N 34 109.658 112.704 -3.046 1
1 340 . 9 1 1 A 35 35 HIS H H 35 7.215 7.591 -0.376 1
1 341 . 9 1 1 A 35 35 HIS HA H 35 4.852 4.177 0.675 1
1 346 . 9 1 1 A 35 35 HIS C C 35 175.704 177.895 -2.191 1
1 347 . 9 1 1 A 35 35 HIS CA C 35 55.632 59.294 -3.662 1
1 348 . 9 1 1 A 35 35 HIS CB C 35 28.783 29.995 -1.212 1
1 351 . 9 1 1 A 35 35 HIS N N 35 118.639 119.643 -1.004 1
1 352 . 9 1 1 A 36 36 THR H H 36 7.818 8.367 -0.549 1
1 353 . 9 1 1 A 36 36 THR HA H 36 4.397 4.137 0.260 1
1 358 . 9 1 1 A 36 36 THR C C 36 175.429 175.496 -0.067 1
1 359 . 9 1 1 A 36 36 THR CA C 36 62.294 64.882 -2.588 1
1 360 . 9 1 1 A 36 36 THR CB C 36 69.885 68.440 1.445 1
1 362 . 9 1 1 A 36 36 THR N N 36 111.712 113.211 -1.499 1
1 363 . 9 1 1 A 37 37 GLY H H 37 8.273 7.951 0.322 1
1 364 . 9 1 1 A 37 37 GLY HA2 H 37 4.055 3.971 0.084 1
1 365 . 9 1 1 A 37 37 GLY HA3 H 37 3.985 3.977 0.008 1
1 366 . 9 1 1 A 37 37 GLY C C 37 174.325 172.792 1.533 1
1 367 . 9 1 1 A 37 37 GLY CA C 37 45.477 46.756 -1.279 1
1 368 . 9 1 1 A 37 37 GLY N N 37 110.839 108.189 2.650 1
1 369 . 9 1 1 A 38 38 GLU H H 38 8.210 8.489 -0.279 1
1 370 . 9 1 1 A 38 38 GLU HA H 38 4.330 5.087 -0.757 1
1 375 . 9 1 1 A 38 38 GLU C C 38 176.563 174.555 2.008 1
1 376 . 9 1 1 A 38 38 GLU CA C 38 56.675 55.063 1.612 1
1 377 . 9 1 1 A 38 38 GLU CB C 38 30.528 33.714 -3.186 1
1 379 . 9 1 1 A 38 38 GLU N N 38 120.721 124.298 -3.577 1
1 380 . 9 1 1 A 39 39 SER H H 39 8.419 8.598 -0.179 1
1 381 . 9 1 1 A 39 39 SER HA H 39 4.499 5.458 -0.959 1
1 384 . 9 1 1 A 39 39 SER C C 39 174.576 173.866 0.710 1
1 385 . 9 1 1 A 39 39 SER CA C 39 58.389 57.053 1.336 1
1 386 . 9 1 1 A 39 39 SER CB C 39 64.005 66.586 -2.581 1
1 387 . 9 1 1 A 39 39 SER N N 39 116.775 120.673 -3.898 1
1 388 . 9 1 1 A 40 40 GLY H H 40 8.241 8.309 -0.068 1
1 389 . 9 1 1 A 40 40 GLY HA2 H 40 4.166 4.220 -0.054 1
1 390 . 9 1 1 A 40 40 GLY HA3 H 40 4.077 4.220 -0.143 1
1 391 . 9 1 1 A 40 40 GLY C C 40 171.716 174.184 -2.468 1
1 392 . 9 1 1 A 40 40 GLY CA C 40 44.659 45.350 -0.691 1
1 393 . 9 1 1 A 40 40 GLY N N 40 110.604 110.243 0.361 1
1 394 . 9 1 1 A 41 41 PRO HA H 41 4.486 4.542 -0.056 1
1 401 . 9 1 1 A 41 41 PRO C C 41 177.364 176.287 1.077 1
1 402 . 9 1 1 A 41 41 PRO CA C 41 63.199 63.576 -0.377 1
1 403 . 9 1 1 A 41 41 PRO CB C 41 32.225 31.844 0.381 1
1 406 . 9 1 1 A 42 42 SER H H 42 8.534 7.714 0.820 1
1 407 . 9 1 1 A 42 42 SER C C 42 174.655 173.586 1.069 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 4.049 4.093 -0.044 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.049 4.096 -0.047 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.520 172.926 1.594 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.474 44.922 0.552 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.150 8.582 -0.432 1
1 6 . 10 1 1 A 8 8 THR HA H 8 4.390 4.063 0.327 1
1 11 . 10 1 1 A 8 8 THR C C 8 175.239 174.875 0.364 1
1 12 . 10 1 1 A 8 8 THR CA C 8 61.894 64.558 -2.664 1
1 13 . 10 1 1 A 8 8 THR CB C 8 69.895 68.252 1.643 1
1 15 . 10 1 1 A 8 8 THR N N 8 112.793 118.761 -5.968 1
1 16 . 10 1 1 A 9 9 GLY H H 9 8.460 8.418 0.042 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 3.935 4.211 -0.276 1
1 18 . 10 1 1 A 9 9 GLY HA3 H 9 3.935 4.211 -0.276 1
1 19 . 10 1 1 A 9 9 GLY C C 9 174.058 171.157 2.901 1
1 20 . 10 1 1 A 9 9 GLY CA C 9 45.284 45.237 0.047 1
1 21 . 10 1 1 A 9 9 GLY N N 9 110.999 112.091 -1.092 1
1 22 . 10 1 1 A 10 10 GLU H H 10 8.232 8.569 -0.337 1
1 23 . 10 1 1 A 10 10 GLU HA H 10 4.221 4.985 -0.764 1
1 28 . 10 1 1 A 10 10 GLU C C 10 176.320 173.916 2.404 1
1 29 . 10 1 1 A 10 10 GLU CA C 10 56.807 55.471 1.336 1
1 30 . 10 1 1 A 10 10 GLU CB C 10 30.485 33.441 -2.956 1
1 32 . 10 1 1 A 10 10 GLU N N 10 120.268 120.717 -0.449 1
1 33 . 10 1 1 A 11 11 LYS H H 11 8.293 8.484 -0.191 1
1 34 . 10 1 1 A 11 11 LYS HA H 11 4.511 4.763 -0.252 1
1 43 . 10 1 1 A 11 11 LYS C C 11 173.935 176.223 -2.288 1
1 44 . 10 1 1 A 11 11 LYS CA C 11 53.941 53.210 0.731 1
1 45 . 10 1 1 A 11 11 LYS CB C 11 32.968 33.682 -0.714 1
1 49 . 10 1 1 A 11 11 LYS N N 11 121.633 120.674 0.959 1
1 50 . 10 1 1 A 12 12 PRO HA H 12 4.311 4.359 -0.048 1
1 57 . 10 1 1 A 12 12 PRO C C 12 176.347 175.551 0.796 1
1 58 . 10 1 1 A 12 12 PRO CA C 12 63.422 63.936 -0.514 1
1 59 . 10 1 1 A 12 12 PRO CB C 12 32.261 31.264 0.997 1
1 62 . 10 1 1 A 13 13 TYR H H 13 8.065 7.401 0.664 1
1 63 . 10 1 1 A 13 13 TYR HA H 13 4.593 5.353 -0.760 1
1 70 . 10 1 1 A 13 13 TYR C C 13 174.711 175.077 -0.366 1
1 71 . 10 1 1 A 13 13 TYR CA C 13 57.524 56.880 0.644 1
1 72 . 10 1 1 A 13 13 TYR CB C 13 38.493 41.684 -3.191 1
1 77 . 10 1 1 A 13 13 TYR N N 13 118.480 118.478 0.002 1
1 78 . 10 1 1 A 14 14 GLU H H 14 8.555 8.702 -0.147 1
1 79 . 10 1 1 A 14 14 GLU HA H 14 4.830 5.417 -0.587 1
1 84 . 10 1 1 A 14 14 GLU C C 14 175.283 175.282 0.001 1
1 85 . 10 1 1 A 14 14 GLU CA C 14 55.294 54.643 0.651 1
1 86 . 10 1 1 A 14 14 GLU CB C 14 32.651 34.062 -1.411 1
1 88 . 10 1 1 A 14 14 GLU N N 14 124.223 121.793 2.430 1
1 89 . 10 1 1 A 15 15 CYS H H 15 9.054 9.402 -0.348 1
1 90 . 10 1 1 A 15 15 CYS HA H 15 4.519 4.731 -0.212 1
1 93 . 10 1 1 A 15 15 CYS C C 15 176.371 174.177 2.194 1
1 94 . 10 1 1 A 15 15 CYS CA C 15 59.775 58.790 0.985 1
1 95 . 10 1 1 A 15 15 CYS CB C 15 29.834 29.529 0.305 1
1 96 . 10 1 1 A 15 15 CYS N N 15 126.124 122.980 3.144 1
1 97 . 10 1 1 A 16 16 ASN H H 16 9.145 9.008 0.137 1
1 98 . 10 1 1 A 16 16 ASN HA H 16 4.664 4.914 -0.250 1
1 103 . 10 1 1 A 16 16 ASN C C 16 175.434 177.103 -1.669 1
1 104 . 10 1 1 A 16 16 ASN CA C 16 55.450 54.320 1.130 1
1 105 . 10 1 1 A 16 16 ASN CB C 16 38.367 40.886 -2.519 1
1 106 . 10 1 1 A 16 16 ASN N N 16 128.375 122.489 5.886 1
1 108 . 10 1 1 A 17 17 GLU H H 17 8.940 8.381 0.559 1
1 109 . 10 1 1 A 17 17 GLU HA H 17 4.309 4.071 0.238 1
1 114 . 10 1 1 A 17 17 GLU C C 17 176.943 178.365 -1.422 1
1 115 . 10 1 1 A 17 17 GLU CA C 17 58.075 58.809 -0.734 1
1 116 . 10 1 1 A 17 17 GLU CB C 17 30.005 30.088 -0.083 1
1 118 . 10 1 1 A 17 17 GLU N N 17 121.278 118.280 2.998 1
1 119 . 10 1 1 A 18 18 CYS H H 18 7.884 7.788 0.096 1
1 120 . 10 1 1 A 18 18 CYS HA H 18 5.030 4.481 0.549 1
1 123 . 10 1 1 A 18 18 CYS C C 18 174.784 174.737 0.047 1
1 124 . 10 1 1 A 18 18 CYS CA C 18 58.712 59.255 -0.543 1
1 125 . 10 1 1 A 18 18 CYS CB C 18 31.646 29.159 2.487 1
1 126 . 10 1 1 A 18 18 CYS N N 18 116.336 115.225 1.111 1
1 127 . 10 1 1 A 19 19 GLN H H 19 8.117 7.955 0.162 1
1 128 . 10 1 1 A 19 19 GLN HA H 19 4.176 3.902 0.274 1
1 135 . 10 1 1 A 19 19 GLN C C 19 175.071 174.473 0.598 1
1 136 . 10 1 1 A 19 19 GLN CA C 19 58.561 56.979 1.582 1
1 137 . 10 1 1 A 19 19 GLN CB C 19 26.375 26.239 0.136 1
1 139 . 10 1 1 A 19 19 GLN N N 19 116.253 116.384 -0.131 1
1 141 . 10 1 1 A 20 20 LYS H H 20 7.920 7.994 -0.074 1
1 142 . 10 1 1 A 20 20 LYS HA H 20 4.106 4.773 -0.667 1
1 151 . 10 1 1 A 20 20 LYS C C 20 173.942 175.783 -1.841 1
1 152 . 10 1 1 A 20 20 LYS CA C 20 57.784 55.096 2.688 1
1 153 . 10 1 1 A 20 20 LYS CB C 20 34.257 34.619 -0.362 1
1 157 . 10 1 1 A 20 20 LYS N N 20 121.537 118.408 3.129 1
1 158 . 10 1 1 A 21 21 ALA H H 21 7.796 8.679 -0.883 1
1 159 . 10 1 1 A 21 21 ALA HA H 21 5.070 5.373 -0.303 1
1 163 . 10 1 1 A 21 21 ALA C C 21 176.123 177.033 -0.910 1
1 164 . 10 1 1 A 21 21 ALA CA C 21 50.530 51.680 -1.150 1
1 165 . 10 1 1 A 21 21 ALA CB C 21 22.271 20.620 1.651 1
1 166 . 10 1 1 A 21 21 ALA N N 21 123.395 126.709 -3.314 1
1 167 . 10 1 1 A 22 22 PHE H H 22 8.662 9.060 -0.398 1
1 168 . 10 1 1 A 22 22 PHE HA H 22 4.679 5.045 -0.366 1
1 176 . 10 1 1 A 22 22 PHE C C 22 175.069 175.828 -0.759 1
1 177 . 10 1 1 A 22 22 PHE CA C 22 57.458 56.865 0.593 1
1 178 . 10 1 1 A 22 22 PHE CB C 22 44.024 43.845 0.179 1
1 184 . 10 1 1 A 22 22 PHE N N 22 116.451 117.944 -1.493 1
1 185 . 10 1 1 A 23 23 ASN HA H 23 4.887 4.867 0.020 1
1 190 . 10 1 1 A 23 23 ASN C C 23 175.404 175.551 -0.147 1
1 191 . 10 1 1 A 23 23 ASN CA C 23 55.197 54.859 0.338 1
1 192 . 10 1 1 A 23 23 ASN CB C 23 39.066 38.928 0.138 1
1 194 . 10 1 1 A 24 24 THR H H 24 7.425 7.727 -0.302 1
1 195 . 10 1 1 A 24 24 THR HA H 24 4.766 4.464 0.302 1
1 200 . 10 1 1 A 24 24 THR C C 24 173.616 174.787 -1.171 1
1 201 . 10 1 1 A 24 24 THR CA C 24 58.695 58.805 -0.110 1
1 202 . 10 1 1 A 24 24 THR CB C 24 72.730 71.584 1.146 1
1 204 . 10 1 1 A 24 24 THR N N 24 106.491 110.239 -3.748 1
1 205 . 10 1 1 A 25 25 LYS H H 25 8.323 8.405 -0.082 1
1 206 . 10 1 1 A 25 25 LYS HA H 25 3.194 3.444 -0.250 1
1 215 . 10 1 1 A 25 25 LYS C C 25 178.784 178.225 0.559 1
1 216 . 10 1 1 A 25 25 LYS CA C 25 58.821 59.175 -0.354 1
1 217 . 10 1 1 A 25 25 LYS CB C 25 31.835 32.172 -0.337 1
1 221 . 10 1 1 A 25 25 LYS N N 25 124.117 122.604 1.513 1
1 222 . 10 1 1 A 26 26 SER H H 26 8.351 8.202 0.149 1
1 223 . 10 1 1 A 26 26 SER HA H 26 4.066 4.158 -0.092 1
1 226 . 10 1 1 A 26 26 SER C C 26 176.574 176.988 -0.414 1
1 227 . 10 1 1 A 26 26 SER CA C 26 61.540 61.326 0.214 1
1 228 . 10 1 1 A 26 26 SER CB C 26 62.205 62.689 -0.484 1
1 229 . 10 1 1 A 26 26 SER N N 26 113.534 114.687 -1.153 1
1 230 . 10 1 1 A 27 27 ASN H H 27 7.720 7.859 -0.139 1
1 231 . 10 1 1 A 27 27 ASN HA H 27 4.461 4.583 -0.122 1
1 236 . 10 1 1 A 27 27 ASN C C 27 178.233 177.832 0.401 1
1 237 . 10 1 1 A 27 27 ASN CA C 27 55.387 56.136 -0.749 1
1 238 . 10 1 1 A 27 27 ASN CB C 27 37.652 38.807 -1.155 1
1 239 . 10 1 1 A 27 27 ASN N N 27 119.042 121.190 -2.148 1
1 241 . 10 1 1 A 28 28 LEU H H 28 7.445 7.769 -0.324 1
1 242 . 10 1 1 A 28 28 LEU HA H 28 3.276 3.384 -0.108 1
1 252 . 10 1 1 A 28 28 LEU C C 28 177.423 178.109 -0.686 1
1 253 . 10 1 1 A 28 28 LEU CA C 28 58.231 57.497 0.734 1
1 254 . 10 1 1 A 28 28 LEU CB C 28 40.386 41.431 -1.045 1
1 258 . 10 1 1 A 28 28 LEU N N 28 122.869 120.474 2.395 1
1 259 . 10 1 1 A 29 29 MET H H 29 8.332 8.616 -0.284 1
1 260 . 10 1 1 A 29 29 MET HA H 29 4.187 4.120 0.067 1
1 268 . 10 1 1 A 29 29 MET C C 29 179.451 178.527 0.924 1
1 269 . 10 1 1 A 29 29 MET CA C 29 59.047 58.482 0.565 1
1 270 . 10 1 1 A 29 29 MET CB C 29 32.224 32.152 0.072 1
1 273 . 10 1 1 A 29 29 MET N N 29 118.924 117.273 1.651 1
1 274 . 10 1 1 A 30 30 VAL H H 30 7.797 7.782 0.015 1
1 275 . 10 1 1 A 30 30 VAL HA H 30 3.523 3.718 -0.195 1
1 283 . 10 1 1 A 30 30 VAL C C 30 179.004 178.072 0.932 1
1 284 . 10 1 1 A 30 30 VAL CA C 30 66.614 65.904 0.710 1
1 285 . 10 1 1 A 30 30 VAL CB C 30 32.139 31.161 0.978 1
1 288 . 10 1 1 A 30 30 VAL N N 30 119.346 120.742 -1.396 1
1 289 . 10 1 1 A 31 31 HIS H H 31 7.373 8.055 -0.682 1
1 290 . 10 1 1 A 31 31 HIS HA H 31 4.217 4.036 0.181 1
1 295 . 10 1 1 A 31 31 HIS C C 31 178.166 176.950 1.216 1
1 296 . 10 1 1 A 31 31 HIS CA C 31 59.194 58.427 0.767 1
1 297 . 10 1 1 A 31 31 HIS CB C 31 28.095 30.157 -2.062 1
1 300 . 10 1 1 A 31 31 HIS N N 31 119.317 119.656 -0.339 1
1 301 . 10 1 1 A 32 32 GLN H H 32 8.912 7.614 1.298 1
1 302 . 10 1 1 A 32 32 GLN HA H 32 3.660 4.122 -0.462 1
1 309 . 10 1 1 A 32 32 GLN C C 32 177.784 178.455 -0.671 1
1 310 . 10 1 1 A 32 32 GLN CA C 32 59.952 58.715 1.237 1
1 311 . 10 1 1 A 32 32 GLN CB C 32 28.263 28.814 -0.551 1
1 313 . 10 1 1 A 32 32 GLN N N 32 120.179 118.370 1.809 1
1 315 . 10 1 1 A 33 33 ARG H H 33 7.262 7.626 -0.364 1
1 316 . 10 1 1 A 33 33 ARG HA H 33 4.208 4.094 0.114 1
1 323 . 10 1 1 A 33 33 ARG C C 33 178.239 178.483 -0.244 1
1 324 . 10 1 1 A 33 33 ARG CA C 33 58.523 58.888 -0.365 1
1 325 . 10 1 1 A 33 33 ARG CB C 33 29.988 29.871 0.117 1
1 328 . 10 1 1 A 33 33 ARG N N 33 117.576 118.936 -1.360 1
1 329 . 10 1 1 A 34 34 THR H H 34 7.797 7.870 -0.073 1
1 330 . 10 1 1 A 34 34 THR HA H 34 4.142 4.004 0.138 1
1 335 . 10 1 1 A 34 34 THR C C 34 175.641 176.319 -0.678 1
1 336 . 10 1 1 A 34 34 THR CA C 34 63.920 65.356 -1.436 1
1 337 . 10 1 1 A 34 34 THR CB C 34 69.413 68.584 0.829 1
1 339 . 10 1 1 A 34 34 THR N N 34 109.658 115.077 -5.419 1
1 340 . 10 1 1 A 35 35 HIS H H 35 7.215 7.763 -0.548 1
1 341 . 10 1 1 A 35 35 HIS HA H 35 4.852 4.282 0.570 1
1 346 . 10 1 1 A 35 35 HIS C C 35 175.704 176.252 -0.548 1
1 347 . 10 1 1 A 35 35 HIS CA C 35 55.632 58.799 -3.167 1
1 348 . 10 1 1 A 35 35 HIS CB C 35 28.783 29.921 -1.138 1
1 351 . 10 1 1 A 35 35 HIS N N 35 118.639 118.952 -0.313 1
1 352 . 10 1 1 A 36 36 THR H H 36 7.818 7.606 0.212 1
1 353 . 10 1 1 A 36 36 THR HA H 36 4.397 4.174 0.223 1
1 358 . 10 1 1 A 36 36 THR C C 36 175.429 174.573 0.856 1
1 359 . 10 1 1 A 36 36 THR CA C 36 62.294 63.256 -0.962 1
1 360 . 10 1 1 A 36 36 THR CB C 36 69.885 69.408 0.477 1
1 362 . 10 1 1 A 36 36 THR N N 36 111.712 112.120 -0.408 1
1 363 . 10 1 1 A 37 37 GLY H H 37 8.273 8.324 -0.051 1
1 364 . 10 1 1 A 37 37 GLY HA2 H 37 4.055 4.069 -0.014 1
1 365 . 10 1 1 A 37 37 GLY HA3 H 37 3.985 4.070 -0.085 1
1 366 . 10 1 1 A 37 37 GLY C C 37 174.325 174.232 0.093 1
1 367 . 10 1 1 A 37 37 GLY CA C 37 45.477 45.855 -0.378 1
1 368 . 10 1 1 A 37 37 GLY N N 37 110.839 113.838 -2.999 1
1 369 . 10 1 1 A 38 38 GLU H H 38 8.210 7.930 0.280 1
1 370 . 10 1 1 A 38 38 GLU HA H 38 4.330 4.289 0.041 1
1 375 . 10 1 1 A 38 38 GLU C C 38 176.563 175.758 0.805 1
1 376 . 10 1 1 A 38 38 GLU CA C 38 56.675 56.643 0.032 1
1 377 . 10 1 1 A 38 38 GLU CB C 38 30.528 29.881 0.647 1
1 379 . 10 1 1 A 38 38 GLU N N 38 120.721 123.206 -2.485 1
1 380 . 10 1 1 A 39 39 SER H H 39 8.419 8.520 -0.101 1
1 381 . 10 1 1 A 39 39 SER HA H 39 4.499 4.922 -0.423 1
1 384 . 10 1 1 A 39 39 SER C C 39 174.576 174.172 0.404 1
1 385 . 10 1 1 A 39 39 SER CA C 39 58.389 57.348 1.041 1
1 386 . 10 1 1 A 39 39 SER CB C 39 64.005 64.029 -0.024 1
1 387 . 10 1 1 A 39 39 SER N N 39 116.775 122.670 -5.895 1
1 388 . 10 1 1 A 40 40 GLY H H 40 8.241 8.552 -0.311 1
1 389 . 10 1 1 A 40 40 GLY HA2 H 40 4.166 4.034 0.132 1
1 390 . 10 1 1 A 40 40 GLY HA3 H 40 4.077 4.035 0.042 1
1 391 . 10 1 1 A 40 40 GLY C C 40 171.716 174.348 -2.632 1
1 392 . 10 1 1 A 40 40 GLY CA C 40 44.659 46.396 -1.737 1
1 393 . 10 1 1 A 40 40 GLY N N 40 110.604 112.986 -2.382 1
1 394 . 10 1 1 A 41 41 PRO HA H 41 4.486 4.478 0.008 1
1 401 . 10 1 1 A 41 41 PRO C C 41 177.364 176.554 0.810 1
1 402 . 10 1 1 A 41 41 PRO CA C 41 63.199 62.471 0.728 1
1 403 . 10 1 1 A 41 41 PRO CB C 41 32.225 32.882 -0.657 1
1 406 . 10 1 1 A 42 42 SER H H 42 8.534 8.461 0.073 1
1 407 . 10 1 1 A 42 42 SER C C 42 174.655 173.568 1.087 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 4.049 4.040 0.009 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.049 4.042 0.007 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.520 174.588 -0.068 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.474 45.697 -0.223 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.150 7.898 0.252 1
1 6 . 11 1 1 A 8 8 THR HA H 8 4.390 4.662 -0.272 1
1 11 . 11 1 1 A 8 8 THR C C 8 175.239 173.447 1.792 1
1 12 . 11 1 1 A 8 8 THR CA C 8 61.894 60.973 0.921 1
1 13 . 11 1 1 A 8 8 THR CB C 8 69.895 68.991 0.904 1
1 15 . 11 1 1 A 8 8 THR N N 8 112.793 110.820 1.973 1
1 16 . 11 1 1 A 9 9 GLY H H 9 8.460 8.929 -0.469 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 3.935 4.093 -0.158 1
1 18 . 11 1 1 A 9 9 GLY HA3 H 9 3.935 4.099 -0.164 1
1 19 . 11 1 1 A 9 9 GLY C C 9 174.058 173.032 1.026 1
1 20 . 11 1 1 A 9 9 GLY CA C 9 45.284 46.485 -1.201 1
1 21 . 11 1 1 A 9 9 GLY N N 9 110.999 112.663 -1.664 1
1 22 . 11 1 1 A 10 10 GLU H H 10 8.232 8.886 -0.654 1
1 23 . 11 1 1 A 10 10 GLU HA H 10 4.221 4.487 -0.266 1
1 28 . 11 1 1 A 10 10 GLU C C 10 176.320 175.263 1.057 1
1 29 . 11 1 1 A 10 10 GLU CA C 10 56.807 55.218 1.589 1
1 30 . 11 1 1 A 10 10 GLU CB C 10 30.485 29.407 1.078 1
1 32 . 11 1 1 A 10 10 GLU N N 10 120.268 125.024 -4.756 1
1 33 . 11 1 1 A 11 11 LYS H H 11 8.293 7.343 0.950 1
1 34 . 11 1 1 A 11 11 LYS HA H 11 4.511 4.693 -0.182 1
1 43 . 11 1 1 A 11 11 LYS C C 11 173.935 176.157 -2.222 1
1 44 . 11 1 1 A 11 11 LYS CA C 11 53.941 52.786 1.155 1
1 45 . 11 1 1 A 11 11 LYS CB C 11 32.968 34.023 -1.055 1
1 49 . 11 1 1 A 11 11 LYS N N 11 121.633 122.270 -0.637 1
1 50 . 11 1 1 A 12 12 PRO HA H 12 4.311 4.366 -0.055 1
1 57 . 11 1 1 A 12 12 PRO C C 12 176.347 175.561 0.786 1
1 58 . 11 1 1 A 12 12 PRO CA C 12 63.422 63.825 -0.403 1
1 59 . 11 1 1 A 12 12 PRO CB C 12 32.261 31.212 1.049 1
1 62 . 11 1 1 A 13 13 TYR H H 13 8.065 7.401 0.664 1
1 63 . 11 1 1 A 13 13 TYR HA H 13 4.593 5.253 -0.660 1
1 70 . 11 1 1 A 13 13 TYR C C 13 174.711 174.814 -0.103 1
1 71 . 11 1 1 A 13 13 TYR CA C 13 57.524 56.854 0.670 1
1 72 . 11 1 1 A 13 13 TYR CB C 13 38.493 41.207 -2.714 1
1 77 . 11 1 1 A 13 13 TYR N N 13 118.480 118.945 -0.465 1
1 78 . 11 1 1 A 14 14 GLU H H 14 8.555 8.879 -0.324 1
1 79 . 11 1 1 A 14 14 GLU HA H 14 4.830 5.462 -0.632 1
1 84 . 11 1 1 A 14 14 GLU C C 14 175.283 175.797 -0.514 1
1 85 . 11 1 1 A 14 14 GLU CA C 14 55.294 54.621 0.673 1
1 86 . 11 1 1 A 14 14 GLU CB C 14 32.651 32.359 0.292 1
1 88 . 11 1 1 A 14 14 GLU N N 14 124.223 122.763 1.460 1
1 89 . 11 1 1 A 15 15 CYS H H 15 9.054 8.914 0.140 1
1 90 . 11 1 1 A 15 15 CYS HA H 15 4.519 4.528 -0.009 1
1 93 . 11 1 1 A 15 15 CYS C C 15 176.371 174.316 2.055 1
1 94 . 11 1 1 A 15 15 CYS CA C 15 59.775 59.270 0.505 1
1 95 . 11 1 1 A 15 15 CYS CB C 15 29.834 28.780 1.054 1
1 96 . 11 1 1 A 15 15 CYS N N 15 126.124 124.938 1.186 1
1 97 . 11 1 1 A 16 16 ASN H H 16 9.145 8.952 0.193 1
1 98 . 11 1 1 A 16 16 ASN HA H 16 4.664 4.877 -0.213 1
1 103 . 11 1 1 A 16 16 ASN C C 16 175.434 176.785 -1.351 1
1 104 . 11 1 1 A 16 16 ASN CA C 16 55.450 54.687 0.763 1
1 105 . 11 1 1 A 16 16 ASN CB C 16 38.367 40.842 -2.475 1
1 106 . 11 1 1 A 16 16 ASN N N 16 128.375 122.645 5.730 1
1 108 . 11 1 1 A 17 17 GLU H H 17 8.940 8.029 0.911 1
1 109 . 11 1 1 A 17 17 GLU HA H 17 4.309 3.961 0.348 1
1 114 . 11 1 1 A 17 17 GLU C C 17 176.943 178.493 -1.550 1
1 115 . 11 1 1 A 17 17 GLU CA C 17 58.075 59.056 -0.981 1
1 116 . 11 1 1 A 17 17 GLU CB C 17 30.005 28.928 1.077 1
1 118 . 11 1 1 A 17 17 GLU N N 17 121.278 119.384 1.894 1
1 119 . 11 1 1 A 18 18 CYS H H 18 7.884 7.585 0.299 1
1 120 . 11 1 1 A 18 18 CYS HA H 18 5.030 4.505 0.525 1
1 123 . 11 1 1 A 18 18 CYS C C 18 174.784 174.835 -0.051 1
1 124 . 11 1 1 A 18 18 CYS CA C 18 58.712 59.909 -1.197 1
1 125 . 11 1 1 A 18 18 CYS CB C 18 31.646 29.124 2.522 1
1 126 . 11 1 1 A 18 18 CYS N N 18 116.336 115.986 0.350 1
1 127 . 11 1 1 A 19 19 GLN H H 19 8.117 7.919 0.198 1
1 128 . 11 1 1 A 19 19 GLN HA H 19 4.176 4.076 0.100 1
1 135 . 11 1 1 A 19 19 GLN C C 19 175.071 174.669 0.402 1
1 136 . 11 1 1 A 19 19 GLN CA C 19 58.561 57.115 1.446 1
1 137 . 11 1 1 A 19 19 GLN CB C 19 26.375 26.175 0.200 1
1 139 . 11 1 1 A 19 19 GLN N N 19 116.253 116.417 -0.164 1
1 141 . 11 1 1 A 20 20 LYS H H 20 7.920 7.629 0.291 1
1 142 . 11 1 1 A 20 20 LYS HA H 20 4.106 4.627 -0.521 1
1 151 . 11 1 1 A 20 20 LYS C C 20 173.942 175.758 -1.816 1
1 152 . 11 1 1 A 20 20 LYS CA C 20 57.784 55.062 2.722 1
1 153 . 11 1 1 A 20 20 LYS CB C 20 34.257 34.218 0.039 1
1 157 . 11 1 1 A 20 20 LYS N N 20 121.537 118.462 3.075 1
1 158 . 11 1 1 A 21 21 ALA H H 21 7.796 8.337 -0.541 1
1 159 . 11 1 1 A 21 21 ALA HA H 21 5.070 5.484 -0.414 1
1 163 . 11 1 1 A 21 21 ALA C C 21 176.123 175.620 0.503 1
1 164 . 11 1 1 A 21 21 ALA CA C 21 50.530 50.765 -0.235 1
1 165 . 11 1 1 A 21 21 ALA CB C 21 22.271 22.432 -0.161 1
1 166 . 11 1 1 A 21 21 ALA N N 21 123.395 120.602 2.793 1
1 167 . 11 1 1 A 22 22 PHE H H 22 8.662 8.745 -0.083 1
1 168 . 11 1 1 A 22 22 PHE HA H 22 4.679 4.900 -0.221 1
1 176 . 11 1 1 A 22 22 PHE C C 22 175.069 176.162 -1.093 1
1 177 . 11 1 1 A 22 22 PHE CA C 22 57.458 56.925 0.533 1
1 178 . 11 1 1 A 22 22 PHE CB C 22 44.024 43.495 0.529 1
1 184 . 11 1 1 A 22 22 PHE N N 22 116.451 118.315 -1.864 1
1 185 . 11 1 1 A 23 23 ASN HA H 23 4.887 4.776 0.111 1
1 190 . 11 1 1 A 23 23 ASN C C 23 175.404 175.679 -0.275 1
1 191 . 11 1 1 A 23 23 ASN CA C 23 55.197 55.099 0.098 1
1 192 . 11 1 1 A 23 23 ASN CB C 23 39.066 38.779 0.287 1
1 194 . 11 1 1 A 24 24 THR H H 24 7.425 7.749 -0.324 1
1 195 . 11 1 1 A 24 24 THR HA H 24 4.766 4.696 0.070 1
1 200 . 11 1 1 A 24 24 THR C C 24 173.616 174.624 -1.008 1
1 201 . 11 1 1 A 24 24 THR CA C 24 58.695 59.094 -0.399 1
1 202 . 11 1 1 A 24 24 THR CB C 24 72.730 71.746 0.984 1
1 204 . 11 1 1 A 24 24 THR N N 24 106.491 110.035 -3.544 1
1 205 . 11 1 1 A 25 25 LYS H H 25 8.323 8.350 -0.027 1
1 206 . 11 1 1 A 25 25 LYS HA H 25 3.194 3.139 0.055 1
1 215 . 11 1 1 A 25 25 LYS C C 25 178.784 177.896 0.888 1
1 216 . 11 1 1 A 25 25 LYS CA C 25 58.821 59.872 -1.051 1
1 217 . 11 1 1 A 25 25 LYS CB C 25 31.835 31.749 0.086 1
1 221 . 11 1 1 A 25 25 LYS N N 25 124.117 122.402 1.715 1
1 222 . 11 1 1 A 26 26 SER H H 26 8.351 8.236 0.115 1
1 223 . 11 1 1 A 26 26 SER HA H 26 4.066 4.128 -0.062 1
1 226 . 11 1 1 A 26 26 SER C C 26 176.574 176.531 0.043 1
1 227 . 11 1 1 A 26 26 SER CA C 26 61.540 61.376 0.164 1
1 228 . 11 1 1 A 26 26 SER CB C 26 62.205 62.695 -0.490 1
1 229 . 11 1 1 A 26 26 SER N N 26 113.534 114.919 -1.385 1
1 230 . 11 1 1 A 27 27 ASN H H 27 7.720 8.142 -0.422 1
1 231 . 11 1 1 A 27 27 ASN HA H 27 4.461 4.391 0.070 1
1 236 . 11 1 1 A 27 27 ASN C C 27 178.233 177.315 0.918 1
1 237 . 11 1 1 A 27 27 ASN CA C 27 55.387 56.858 -1.471 1
1 238 . 11 1 1 A 27 27 ASN CB C 27 37.652 39.357 -1.705 1
1 239 . 11 1 1 A 27 27 ASN N N 27 119.042 119.582 -0.540 1
1 241 . 11 1 1 A 28 28 LEU H H 28 7.445 7.628 -0.183 1
1 242 . 11 1 1 A 28 28 LEU HA H 28 3.276 3.176 0.100 1
1 252 . 11 1 1 A 28 28 LEU C C 28 177.423 178.369 -0.946 1
1 253 . 11 1 1 A 28 28 LEU CA C 28 58.231 57.739 0.492 1
1 254 . 11 1 1 A 28 28 LEU CB C 28 40.386 41.207 -0.821 1
1 258 . 11 1 1 A 28 28 LEU N N 28 122.869 120.161 2.708 1
1 259 . 11 1 1 A 29 29 MET H H 29 8.332 8.461 -0.129 1
1 260 . 11 1 1 A 29 29 MET HA H 29 4.187 3.969 0.218 1
1 268 . 11 1 1 A 29 29 MET C C 29 179.451 178.798 0.653 1
1 269 . 11 1 1 A 29 29 MET CA C 29 59.047 58.821 0.226 1
1 270 . 11 1 1 A 29 29 MET CB C 29 32.224 32.180 0.044 1
1 273 . 11 1 1 A 29 29 MET N N 29 118.924 117.318 1.606 1
1 274 . 11 1 1 A 30 30 VAL H H 30 7.797 7.877 -0.080 1
1 275 . 11 1 1 A 30 30 VAL HA H 30 3.523 3.501 0.022 1
1 283 . 11 1 1 A 30 30 VAL C C 30 179.004 178.024 0.980 1
1 284 . 11 1 1 A 30 30 VAL CA C 30 66.614 66.349 0.265 1
1 285 . 11 1 1 A 30 30 VAL CB C 30 32.139 31.383 0.756 1
1 288 . 11 1 1 A 30 30 VAL N N 30 119.346 119.817 -0.471 1
1 289 . 11 1 1 A 31 31 HIS H H 31 7.373 7.966 -0.593 1
1 290 . 11 1 1 A 31 31 HIS HA H 31 4.217 4.302 -0.085 1
1 295 . 11 1 1 A 31 31 HIS C C 31 178.166 177.443 0.723 1
1 296 . 11 1 1 A 31 31 HIS CA C 31 59.194 59.287 -0.093 1
1 297 . 11 1 1 A 31 31 HIS CB C 31 28.095 29.640 -1.545 1
1 300 . 11 1 1 A 31 31 HIS N N 31 119.317 119.137 0.180 1
1 301 . 11 1 1 A 32 32 GLN H H 32 8.912 8.115 0.797 1
1 302 . 11 1 1 A 32 32 GLN HA H 32 3.660 3.900 -0.240 1
1 309 . 11 1 1 A 32 32 GLN C C 32 177.784 178.540 -0.756 1
1 310 . 11 1 1 A 32 32 GLN CA C 32 59.952 59.361 0.591 1
1 311 . 11 1 1 A 32 32 GLN CB C 32 28.263 28.677 -0.414 1
1 313 . 11 1 1 A 32 32 GLN N N 32 120.179 118.906 1.273 1
1 315 . 11 1 1 A 33 33 ARG H H 33 7.262 7.709 -0.447 1
1 316 . 11 1 1 A 33 33 ARG HA H 33 4.208 4.078 0.130 1
1 323 . 11 1 1 A 33 33 ARG C C 33 178.239 177.856 0.383 1
1 324 . 11 1 1 A 33 33 ARG CA C 33 58.523 58.734 -0.211 1
1 325 . 11 1 1 A 33 33 ARG CB C 33 29.988 30.022 -0.034 1
1 328 . 11 1 1 A 33 33 ARG N N 33 117.576 118.662 -1.086 1
1 329 . 11 1 1 A 34 34 THR H H 34 7.797 8.086 -0.289 1
1 330 . 11 1 1 A 34 34 THR HA H 34 4.142 4.001 0.141 1
1 335 . 11 1 1 A 34 34 THR C C 34 175.641 176.842 -1.201 1
1 336 . 11 1 1 A 34 34 THR CA C 34 63.920 65.384 -1.464 1
1 337 . 11 1 1 A 34 34 THR CB C 34 69.413 68.163 1.250 1
1 339 . 11 1 1 A 34 34 THR N N 34 109.658 111.653 -1.995 1
1 340 . 11 1 1 A 35 35 HIS H H 35 7.215 7.413 -0.198 1
1 341 . 11 1 1 A 35 35 HIS HA H 35 4.852 4.279 0.573 1
1 346 . 11 1 1 A 35 35 HIS C C 35 175.704 175.592 0.112 1
1 347 . 11 1 1 A 35 35 HIS CA C 35 55.632 58.613 -2.981 1
1 348 . 11 1 1 A 35 35 HIS CB C 35 28.783 29.829 -1.046 1
1 351 . 11 1 1 A 35 35 HIS N N 35 118.639 119.468 -0.829 1
1 352 . 11 1 1 A 36 36 THR H H 36 7.818 7.724 0.094 1
1 353 . 11 1 1 A 36 36 THR HA H 36 4.397 4.666 -0.269 1
1 358 . 11 1 1 A 36 36 THR C C 36 175.429 173.507 1.922 1
1 359 . 11 1 1 A 36 36 THR CA C 36 62.294 59.408 2.886 1
1 360 . 11 1 1 A 36 36 THR CB C 36 69.885 70.952 -1.067 1
1 362 . 11 1 1 A 36 36 THR N N 36 111.712 110.527 1.185 1
1 363 . 11 1 1 A 37 37 GLY H H 37 8.273 8.596 -0.323 1
1 364 . 11 1 1 A 37 37 GLY HA2 H 37 4.055 3.976 0.079 1
1 365 . 11 1 1 A 37 37 GLY HA3 H 37 3.985 3.977 0.008 1
1 366 . 11 1 1 A 37 37 GLY C C 37 174.325 173.352 0.973 1
1 367 . 11 1 1 A 37 37 GLY CA C 37 45.477 45.795 -0.318 1
1 368 . 11 1 1 A 37 37 GLY N N 37 110.839 114.625 -3.786 1
1 369 . 11 1 1 A 38 38 GLU H H 38 8.210 8.182 0.028 1
1 370 . 11 1 1 A 38 38 GLU HA H 38 4.330 4.309 0.021 1
1 375 . 11 1 1 A 38 38 GLU C C 38 176.563 176.718 -0.155 1
1 376 . 11 1 1 A 38 38 GLU CA C 38 56.675 56.203 0.472 1
1 377 . 11 1 1 A 38 38 GLU CB C 38 30.528 30.634 -0.106 1
1 379 . 11 1 1 A 38 38 GLU N N 38 120.721 122.466 -1.745 1
1 380 . 11 1 1 A 39 39 SER H H 39 8.419 8.570 -0.151 1
1 381 . 11 1 1 A 39 39 SER HA H 39 4.499 4.688 -0.189 1
1 384 . 11 1 1 A 39 39 SER C C 39 174.576 174.598 -0.022 1
1 385 . 11 1 1 A 39 39 SER CA C 39 58.389 58.404 -0.015 1
1 386 . 11 1 1 A 39 39 SER CB C 39 64.005 63.903 0.102 1
1 387 . 11 1 1 A 39 39 SER N N 39 116.775 119.874 -3.099 1
1 388 . 11 1 1 A 40 40 GLY H H 40 8.241 8.348 -0.107 1
1 389 . 11 1 1 A 40 40 GLY HA2 H 40 4.166 4.224 -0.058 1
1 390 . 11 1 1 A 40 40 GLY HA3 H 40 4.077 4.224 -0.147 1
1 391 . 11 1 1 A 40 40 GLY C C 40 171.716 172.253 -0.537 1
1 392 . 11 1 1 A 40 40 GLY CA C 40 44.659 46.150 -1.491 1
1 393 . 11 1 1 A 40 40 GLY N N 40 110.604 111.533 -0.929 1
1 394 . 11 1 1 A 41 41 PRO HA H 41 4.486 4.648 -0.162 1
1 401 . 11 1 1 A 41 41 PRO C C 41 177.364 176.276 1.088 1
1 402 . 11 1 1 A 41 41 PRO CA C 41 63.199 62.836 0.363 1
1 403 . 11 1 1 A 41 41 PRO CB C 41 32.225 31.715 0.510 1
1 406 . 11 1 1 A 42 42 SER H H 42 8.534 8.541 -0.007 1
1 407 . 11 1 1 A 42 42 SER C C 42 174.655 173.211 1.444 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 4.049 4.167 -0.118 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.049 4.173 -0.124 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.520 173.352 1.168 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.474 45.783 -0.309 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.150 8.025 0.125 1
1 6 . 12 1 1 A 8 8 THR HA H 8 4.390 5.109 -0.719 1
1 11 . 12 1 1 A 8 8 THR C C 8 175.239 174.887 0.352 1
1 12 . 12 1 1 A 8 8 THR CA C 8 61.894 60.007 1.887 1
1 13 . 12 1 1 A 8 8 THR CB C 8 69.895 71.120 -1.225 1
1 15 . 12 1 1 A 8 8 THR N N 8 112.793 112.012 0.781 1
1 16 . 12 1 1 A 9 9 GLY H H 9 8.460 8.796 -0.336 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 3.935 4.267 -0.332 1
1 18 . 12 1 1 A 9 9 GLY HA3 H 9 3.935 4.270 -0.335 1
1 19 . 12 1 1 A 9 9 GLY C C 9 174.058 174.313 -0.255 1
1 20 . 12 1 1 A 9 9 GLY CA C 9 45.284 45.749 -0.465 1
1 21 . 12 1 1 A 9 9 GLY N N 9 110.999 109.556 1.443 1
1 22 . 12 1 1 A 10 10 GLU H H 10 8.232 8.124 0.108 1
1 23 . 12 1 1 A 10 10 GLU HA H 10 4.221 4.005 0.216 1
1 28 . 12 1 1 A 10 10 GLU C C 10 176.320 175.436 0.884 1
1 29 . 12 1 1 A 10 10 GLU CA C 10 56.807 57.186 -0.379 1
1 30 . 12 1 1 A 10 10 GLU CB C 10 30.485 28.347 2.138 1
1 32 . 12 1 1 A 10 10 GLU N N 10 120.268 116.992 3.276 1
1 33 . 12 1 1 A 11 11 LYS H H 11 8.293 7.986 0.307 1
1 34 . 12 1 1 A 11 11 LYS HA H 11 4.511 4.351 0.160 1
1 43 . 12 1 1 A 11 11 LYS C C 11 173.935 176.489 -2.554 1
1 44 . 12 1 1 A 11 11 LYS CA C 11 53.941 55.034 -1.093 1
1 45 . 12 1 1 A 11 11 LYS CB C 11 32.968 31.987 0.981 1
1 49 . 12 1 1 A 11 11 LYS N N 11 121.633 120.105 1.528 1
1 50 . 12 1 1 A 12 12 PRO HA H 12 4.311 4.319 -0.008 1
1 57 . 12 1 1 A 12 12 PRO C C 12 176.347 175.377 0.970 1
1 58 . 12 1 1 A 12 12 PRO CA C 12 63.422 64.044 -0.622 1
1 59 . 12 1 1 A 12 12 PRO CB C 12 32.261 31.122 1.139 1
1 62 . 12 1 1 A 13 13 TYR H H 13 8.065 7.430 0.635 1
1 63 . 12 1 1 A 13 13 TYR HA H 13 4.593 5.394 -0.801 1
1 70 . 12 1 1 A 13 13 TYR C C 13 174.711 175.096 -0.385 1
1 71 . 12 1 1 A 13 13 TYR CA C 13 57.524 56.882 0.642 1
1 72 . 12 1 1 A 13 13 TYR CB C 13 38.493 42.192 -3.699 1
1 77 . 12 1 1 A 13 13 TYR N N 13 118.480 118.612 -0.132 1
1 78 . 12 1 1 A 14 14 GLU H H 14 8.555 8.819 -0.264 1
1 79 . 12 1 1 A 14 14 GLU HA H 14 4.830 4.991 -0.161 1
1 84 . 12 1 1 A 14 14 GLU C C 14 175.283 175.368 -0.085 1
1 85 . 12 1 1 A 14 14 GLU CA C 14 55.294 55.033 0.261 1
1 86 . 12 1 1 A 14 14 GLU CB C 14 32.651 33.509 -0.858 1
1 88 . 12 1 1 A 14 14 GLU N N 14 124.223 121.417 2.806 1
1 89 . 12 1 1 A 15 15 CYS H H 15 9.054 8.919 0.135 1
1 90 . 12 1 1 A 15 15 CYS HA H 15 4.519 4.642 -0.123 1
1 93 . 12 1 1 A 15 15 CYS C C 15 176.371 174.608 1.763 1
1 94 . 12 1 1 A 15 15 CYS CA C 15 59.775 59.342 0.433 1
1 95 . 12 1 1 A 15 15 CYS CB C 15 29.834 28.877 0.957 1
1 96 . 12 1 1 A 15 15 CYS N N 15 126.124 124.734 1.390 1
1 97 . 12 1 1 A 16 16 ASN H H 16 9.145 8.925 0.220 1
1 98 . 12 1 1 A 16 16 ASN HA H 16 4.664 5.002 -0.338 1
1 103 . 12 1 1 A 16 16 ASN C C 16 175.434 176.477 -1.043 1
1 104 . 12 1 1 A 16 16 ASN CA C 16 55.450 54.374 1.076 1
1 105 . 12 1 1 A 16 16 ASN CB C 16 38.367 40.485 -2.118 1
1 106 . 12 1 1 A 16 16 ASN N N 16 128.375 121.736 6.639 1
1 108 . 12 1 1 A 17 17 GLU H H 17 8.940 8.127 0.813 1
1 109 . 12 1 1 A 17 17 GLU HA H 17 4.309 3.999 0.310 1
1 114 . 12 1 1 A 17 17 GLU C C 17 176.943 178.378 -1.435 1
1 115 . 12 1 1 A 17 17 GLU CA C 17 58.075 59.061 -0.986 1
1 116 . 12 1 1 A 17 17 GLU CB C 17 30.005 29.168 0.837 1
1 118 . 12 1 1 A 17 17 GLU N N 17 121.278 120.248 1.030 1
1 119 . 12 1 1 A 18 18 CYS H H 18 7.884 7.736 0.148 1
1 120 . 12 1 1 A 18 18 CYS HA H 18 5.030 4.491 0.539 1
1 123 . 12 1 1 A 18 18 CYS C C 18 174.784 174.764 0.020 1
1 124 . 12 1 1 A 18 18 CYS CA C 18 58.712 59.516 -0.804 1
1 125 . 12 1 1 A 18 18 CYS CB C 18 31.646 29.165 2.481 1
1 126 . 12 1 1 A 18 18 CYS N N 18 116.336 115.328 1.008 1
1 127 . 12 1 1 A 19 19 GLN H H 19 8.117 7.962 0.155 1
1 128 . 12 1 1 A 19 19 GLN HA H 19 4.176 4.083 0.093 1
1 135 . 12 1 1 A 19 19 GLN C C 19 175.071 174.365 0.706 1
1 136 . 12 1 1 A 19 19 GLN CA C 19 58.561 56.892 1.669 1
1 137 . 12 1 1 A 19 19 GLN CB C 19 26.375 26.128 0.247 1
1 139 . 12 1 1 A 19 19 GLN N N 19 116.253 116.371 -0.118 1
1 141 . 12 1 1 A 20 20 LYS H H 20 7.920 7.873 0.047 1
1 142 . 12 1 1 A 20 20 LYS HA H 20 4.106 4.664 -0.558 1
1 151 . 12 1 1 A 20 20 LYS C C 20 173.942 175.727 -1.785 1
1 152 . 12 1 1 A 20 20 LYS CA C 20 57.784 55.037 2.747 1
1 153 . 12 1 1 A 20 20 LYS CB C 20 34.257 34.756 -0.499 1
1 157 . 12 1 1 A 20 20 LYS N N 20 121.537 118.533 3.004 1
1 158 . 12 1 1 A 21 21 ALA H H 21 7.796 8.492 -0.696 1
1 159 . 12 1 1 A 21 21 ALA HA H 21 5.070 4.853 0.217 1
1 163 . 12 1 1 A 21 21 ALA C C 21 176.123 177.293 -1.170 1
1 164 . 12 1 1 A 21 21 ALA CA C 21 50.530 52.283 -1.753 1
1 165 . 12 1 1 A 21 21 ALA CB C 21 22.271 19.499 2.772 1
1 166 . 12 1 1 A 21 21 ALA N N 21 123.395 128.432 -5.037 1
1 167 . 12 1 1 A 22 22 PHE H H 22 8.662 8.455 0.207 1
1 168 . 12 1 1 A 22 22 PHE HA H 22 4.679 4.883 -0.204 1
1 176 . 12 1 1 A 22 22 PHE C C 22 175.069 176.340 -1.271 1
1 177 . 12 1 1 A 22 22 PHE CA C 22 57.458 57.156 0.302 1
1 178 . 12 1 1 A 22 22 PHE CB C 22 44.024 43.025 0.999 1
1 184 . 12 1 1 A 22 22 PHE N N 22 116.451 118.541 -2.090 1
1 185 . 12 1 1 A 23 23 ASN HA H 23 4.887 4.735 0.152 1
1 190 . 12 1 1 A 23 23 ASN C C 23 175.404 175.653 -0.249 1
1 191 . 12 1 1 A 23 23 ASN CA C 23 55.197 55.793 -0.596 1
1 192 . 12 1 1 A 23 23 ASN CB C 23 39.066 38.301 0.765 1
1 194 . 12 1 1 A 24 24 THR H H 24 7.425 7.709 -0.284 1
1 195 . 12 1 1 A 24 24 THR HA H 24 4.766 4.560 0.206 1
1 200 . 12 1 1 A 24 24 THR C C 24 173.616 174.553 -0.937 1
1 201 . 12 1 1 A 24 24 THR CA C 24 58.695 59.225 -0.530 1
1 202 . 12 1 1 A 24 24 THR CB C 24 72.730 72.124 0.606 1
1 204 . 12 1 1 A 24 24 THR N N 24 106.491 109.889 -3.398 1
1 205 . 12 1 1 A 25 25 LYS H H 25 8.323 8.233 0.090 1
1 206 . 12 1 1 A 25 25 LYS HA H 25 3.194 3.303 -0.109 1
1 215 . 12 1 1 A 25 25 LYS C C 25 178.784 177.646 1.138 1
1 216 . 12 1 1 A 25 25 LYS CA C 25 58.821 59.484 -0.663 1
1 217 . 12 1 1 A 25 25 LYS CB C 25 31.835 32.057 -0.222 1
1 221 . 12 1 1 A 25 25 LYS N N 25 124.117 122.302 1.815 1
1 222 . 12 1 1 A 26 26 SER H H 26 8.351 7.863 0.488 1
1 223 . 12 1 1 A 26 26 SER HA H 26 4.066 4.012 0.054 1
1 226 . 12 1 1 A 26 26 SER C C 26 176.574 177.065 -0.491 1
1 227 . 12 1 1 A 26 26 SER CA C 26 61.540 61.621 -0.081 1
1 228 . 12 1 1 A 26 26 SER CB C 26 62.205 63.012 -0.807 1
1 229 . 12 1 1 A 26 26 SER N N 26 113.534 113.726 -0.192 1
1 230 . 12 1 1 A 27 27 ASN H H 27 7.720 7.997 -0.277 1
1 231 . 12 1 1 A 27 27 ASN HA H 27 4.461 4.393 0.068 1
1 236 . 12 1 1 A 27 27 ASN C C 27 178.233 177.704 0.529 1
1 237 . 12 1 1 A 27 27 ASN CA C 27 55.387 56.282 -0.895 1
1 238 . 12 1 1 A 27 27 ASN CB C 27 37.652 38.244 -0.592 1
1 239 . 12 1 1 A 27 27 ASN N N 27 119.042 120.195 -1.153 1
1 241 . 12 1 1 A 28 28 LEU H H 28 7.445 7.363 0.082 1
1 242 . 12 1 1 A 28 28 LEU HA H 28 3.276 3.052 0.224 1
1 252 . 12 1 1 A 28 28 LEU C C 28 177.423 178.263 -0.840 1
1 253 . 12 1 1 A 28 28 LEU CA C 28 58.231 57.635 0.596 1
1 254 . 12 1 1 A 28 28 LEU CB C 28 40.386 41.198 -0.812 1
1 258 . 12 1 1 A 28 28 LEU N N 28 122.869 121.028 1.841 1
1 259 . 12 1 1 A 29 29 MET H H 29 8.332 8.525 -0.193 1
1 260 . 12 1 1 A 29 29 MET HA H 29 4.187 3.981 0.206 1
1 268 . 12 1 1 A 29 29 MET C C 29 179.451 178.649 0.802 1
1 269 . 12 1 1 A 29 29 MET CA C 29 59.047 58.743 0.304 1
1 270 . 12 1 1 A 29 29 MET CB C 29 32.224 32.261 -0.037 1
1 273 . 12 1 1 A 29 29 MET N N 29 118.924 117.248 1.676 1
1 274 . 12 1 1 A 30 30 VAL H H 30 7.797 7.863 -0.066 1
1 275 . 12 1 1 A 30 30 VAL HA H 30 3.523 3.517 0.006 1
1 283 . 12 1 1 A 30 30 VAL C C 30 179.004 178.302 0.702 1
1 284 . 12 1 1 A 30 30 VAL CA C 30 66.614 66.270 0.344 1
1 285 . 12 1 1 A 30 30 VAL CB C 30 32.139 31.341 0.798 1
1 288 . 12 1 1 A 30 30 VAL N N 30 119.346 119.743 -0.397 1
1 289 . 12 1 1 A 31 31 HIS H H 31 7.373 8.018 -0.645 1
1 290 . 12 1 1 A 31 31 HIS HA H 31 4.217 4.025 0.192 1
1 295 . 12 1 1 A 31 31 HIS C C 31 178.166 176.400 1.766 1
1 296 . 12 1 1 A 31 31 HIS CA C 31 59.194 59.782 -0.588 1
1 297 . 12 1 1 A 31 31 HIS CB C 31 28.095 29.529 -1.434 1
1 300 . 12 1 1 A 31 31 HIS N N 31 119.317 119.673 -0.356 1
1 301 . 12 1 1 A 32 32 GLN H H 32 8.912 8.371 0.541 1
1 302 . 12 1 1 A 32 32 GLN HA H 32 3.660 3.598 0.062 1
1 309 . 12 1 1 A 32 32 GLN C C 32 177.784 178.495 -0.711 1
1 310 . 12 1 1 A 32 32 GLN CA C 32 59.952 59.076 0.876 1
1 311 . 12 1 1 A 32 32 GLN CB C 32 28.263 28.171 0.092 1
1 313 . 12 1 1 A 32 32 GLN N N 32 120.179 117.121 3.058 1
1 315 . 12 1 1 A 33 33 ARG H H 33 7.262 7.491 -0.229 1
1 316 . 12 1 1 A 33 33 ARG HA H 33 4.208 3.937 0.271 1
1 323 . 12 1 1 A 33 33 ARG C C 33 178.239 178.269 -0.030 1
1 324 . 12 1 1 A 33 33 ARG CA C 33 58.523 59.284 -0.761 1
1 325 . 12 1 1 A 33 33 ARG CB C 33 29.988 29.948 0.040 1
1 328 . 12 1 1 A 33 33 ARG N N 33 117.576 119.346 -1.770 1
1 329 . 12 1 1 A 34 34 THR H H 34 7.797 8.235 -0.438 1
1 330 . 12 1 1 A 34 34 THR HA H 34 4.142 4.077 0.065 1
1 335 . 12 1 1 A 34 34 THR C C 34 175.641 177.020 -1.379 1
1 336 . 12 1 1 A 34 34 THR CA C 34 63.920 65.457 -1.537 1
1 337 . 12 1 1 A 34 34 THR CB C 34 69.413 68.130 1.283 1
1 339 . 12 1 1 A 34 34 THR N N 34 109.658 112.655 -2.997 1
1 340 . 12 1 1 A 35 35 HIS H H 35 7.215 7.714 -0.499 1
1 341 . 12 1 1 A 35 35 HIS HA H 35 4.852 4.392 0.460 1
1 346 . 12 1 1 A 35 35 HIS C C 35 175.704 175.370 0.334 1
1 347 . 12 1 1 A 35 35 HIS CA C 35 55.632 58.777 -3.145 1
1 348 . 12 1 1 A 35 35 HIS CB C 35 28.783 29.820 -1.037 1
1 351 . 12 1 1 A 35 35 HIS N N 35 118.639 119.434 -0.795 1
1 352 . 12 1 1 A 36 36 THR H H 36 7.818 8.070 -0.252 1
1 353 . 12 1 1 A 36 36 THR HA H 36 4.397 4.709 -0.312 1
1 358 . 12 1 1 A 36 36 THR C C 36 175.429 174.165 1.264 1
1 359 . 12 1 1 A 36 36 THR CA C 36 62.294 60.102 2.192 1
1 360 . 12 1 1 A 36 36 THR CB C 36 69.885 71.234 -1.349 1
1 362 . 12 1 1 A 36 36 THR N N 36 111.712 111.274 0.438 1
1 363 . 12 1 1 A 37 37 GLY H H 37 8.273 8.104 0.169 1
1 364 . 12 1 1 A 37 37 GLY HA2 H 37 4.055 4.074 -0.019 1
1 365 . 12 1 1 A 37 37 GLY HA3 H 37 3.985 4.081 -0.096 1
1 366 . 12 1 1 A 37 37 GLY C C 37 174.325 172.684 1.641 1
1 367 . 12 1 1 A 37 37 GLY CA C 37 45.477 45.622 -0.145 1
1 368 . 12 1 1 A 37 37 GLY N N 37 110.839 115.435 -4.596 1
1 369 . 12 1 1 A 38 38 GLU H H 38 8.210 8.293 -0.083 1
1 370 . 12 1 1 A 38 38 GLU HA H 38 4.330 4.973 -0.643 1
1 375 . 12 1 1 A 38 38 GLU C C 38 176.563 174.427 2.136 1
1 376 . 12 1 1 A 38 38 GLU CA C 38 56.675 54.989 1.686 1
1 377 . 12 1 1 A 38 38 GLU CB C 38 30.528 33.346 -2.818 1
1 379 . 12 1 1 A 38 38 GLU N N 38 120.721 124.344 -3.623 1
1 380 . 12 1 1 A 39 39 SER H H 39 8.419 8.738 -0.319 1
1 381 . 12 1 1 A 39 39 SER HA H 39 4.499 5.049 -0.550 1
1 384 . 12 1 1 A 39 39 SER C C 39 174.576 173.691 0.885 1
1 385 . 12 1 1 A 39 39 SER CA C 39 58.389 57.538 0.851 1
1 386 . 12 1 1 A 39 39 SER CB C 39 64.005 66.621 -2.616 1
1 387 . 12 1 1 A 39 39 SER N N 39 116.775 117.550 -0.775 1
1 388 . 12 1 1 A 40 40 GLY H H 40 8.241 8.613 -0.372 1
1 389 . 12 1 1 A 40 40 GLY HA2 H 40 4.166 4.092 0.074 1
1 390 . 12 1 1 A 40 40 GLY HA3 H 40 4.077 4.094 -0.017 1
1 391 . 12 1 1 A 40 40 GLY C C 40 171.716 174.993 -3.277 1
1 392 . 12 1 1 A 40 40 GLY CA C 40 44.659 44.315 0.344 1
1 393 . 12 1 1 A 40 40 GLY N N 40 110.604 109.898 0.706 1
1 394 . 12 1 1 A 41 41 PRO HA H 41 4.486 4.586 -0.100 1
1 401 . 12 1 1 A 41 41 PRO C C 41 177.364 176.797 0.567 1
1 402 . 12 1 1 A 41 41 PRO CA C 41 63.199 63.732 -0.533 1
1 403 . 12 1 1 A 41 41 PRO CB C 41 32.225 32.242 -0.017 1
1 406 . 12 1 1 A 42 42 SER H H 42 8.534 7.947 0.587 1
1 407 . 12 1 1 A 42 42 SER C C 42 174.655 173.872 0.783 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 4.049 3.921 0.128 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.049 3.922 0.127 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.520 174.811 -0.291 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.474 46.940 -1.466 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.150 7.739 0.411 1
1 6 . 13 1 1 A 8 8 THR HA H 8 4.390 4.325 0.065 1
1 11 . 13 1 1 A 8 8 THR C C 8 175.239 174.659 0.580 1
1 12 . 13 1 1 A 8 8 THR CA C 8 61.894 61.677 0.217 1
1 13 . 13 1 1 A 8 8 THR CB C 8 69.895 69.829 0.066 1
1 15 . 13 1 1 A 8 8 THR N N 8 112.793 112.964 -0.171 1
1 16 . 13 1 1 A 9 9 GLY H H 9 8.460 8.630 -0.170 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 3.935 3.950 -0.015 1
1 18 . 13 1 1 A 9 9 GLY HA3 H 9 3.935 3.958 -0.023 1
1 19 . 13 1 1 A 9 9 GLY C C 9 174.058 173.245 0.813 1
1 20 . 13 1 1 A 9 9 GLY CA C 9 45.284 47.047 -1.763 1
1 21 . 13 1 1 A 9 9 GLY N N 9 110.999 109.111 1.888 1
1 22 . 13 1 1 A 10 10 GLU H H 10 8.232 8.841 -0.609 1
1 23 . 13 1 1 A 10 10 GLU HA H 10 4.221 4.595 -0.374 1
1 28 . 13 1 1 A 10 10 GLU C C 10 176.320 175.235 1.085 1
1 29 . 13 1 1 A 10 10 GLU CA C 10 56.807 55.476 1.331 1
1 30 . 13 1 1 A 10 10 GLU CB C 10 30.485 29.522 0.963 1
1 32 . 13 1 1 A 10 10 GLU N N 10 120.268 123.283 -3.015 1
1 33 . 13 1 1 A 11 11 LYS H H 11 8.293 8.458 -0.165 1
1 34 . 13 1 1 A 11 11 LYS HA H 11 4.511 4.539 -0.028 1
1 43 . 13 1 1 A 11 11 LYS C C 11 173.935 176.529 -2.594 1
1 44 . 13 1 1 A 11 11 LYS CA C 11 53.941 54.173 -0.232 1
1 45 . 13 1 1 A 11 11 LYS CB C 11 32.968 31.934 1.034 1
1 49 . 13 1 1 A 11 11 LYS N N 11 121.633 125.299 -3.666 1
1 50 . 13 1 1 A 12 12 PRO HA H 12 4.311 4.346 -0.035 1
1 57 . 13 1 1 A 12 12 PRO C C 12 176.347 175.441 0.906 1
1 58 . 13 1 1 A 12 12 PRO CA C 12 63.422 63.938 -0.516 1
1 59 . 13 1 1 A 12 12 PRO CB C 12 32.261 31.215 1.046 1
1 62 . 13 1 1 A 13 13 TYR H H 13 8.065 7.457 0.608 1
1 63 . 13 1 1 A 13 13 TYR HA H 13 4.593 5.343 -0.750 1
1 70 . 13 1 1 A 13 13 TYR C C 13 174.711 175.076 -0.365 1
1 71 . 13 1 1 A 13 13 TYR CA C 13 57.524 56.962 0.562 1
1 72 . 13 1 1 A 13 13 TYR CB C 13 38.493 41.994 -3.501 1
1 77 . 13 1 1 A 13 13 TYR N N 13 118.480 119.035 -0.555 1
1 78 . 13 1 1 A 14 14 GLU H H 14 8.555 8.726 -0.171 1
1 79 . 13 1 1 A 14 14 GLU HA H 14 4.830 5.418 -0.588 1
1 84 . 13 1 1 A 14 14 GLU C C 14 175.283 175.232 0.051 1
1 85 . 13 1 1 A 14 14 GLU CA C 14 55.294 54.980 0.314 1
1 86 . 13 1 1 A 14 14 GLU CB C 14 32.651 33.577 -0.926 1
1 88 . 13 1 1 A 14 14 GLU N N 14 124.223 121.631 2.592 1
1 89 . 13 1 1 A 15 15 CYS H H 15 9.054 9.165 -0.111 1
1 90 . 13 1 1 A 15 15 CYS HA H 15 4.519 4.648 -0.129 1
1 93 . 13 1 1 A 15 15 CYS C C 15 176.371 176.426 -0.055 1
1 94 . 13 1 1 A 15 15 CYS CA C 15 59.775 60.045 -0.270 1
1 95 . 13 1 1 A 15 15 CYS CB C 15 29.834 28.600 1.234 1
1 96 . 13 1 1 A 15 15 CYS N N 15 126.124 123.846 2.278 1
1 97 . 13 1 1 A 16 16 ASN H H 16 9.145 8.618 0.527 1
1 98 . 13 1 1 A 16 16 ASN HA H 16 4.664 5.011 -0.347 1
1 103 . 13 1 1 A 16 16 ASN C C 16 175.434 175.017 0.417 1
1 104 . 13 1 1 A 16 16 ASN CA C 16 55.450 52.324 3.126 1
1 105 . 13 1 1 A 16 16 ASN CB C 16 38.367 38.496 -0.129 1
1 106 . 13 1 1 A 16 16 ASN N N 16 128.375 122.071 6.304 1
1 108 . 13 1 1 A 17 17 GLU H H 17 8.940 7.973 0.967 1
1 109 . 13 1 1 A 17 17 GLU HA H 17 4.309 4.426 -0.117 1
1 114 . 13 1 1 A 17 17 GLU C C 17 176.943 177.814 -0.871 1
1 115 . 13 1 1 A 17 17 GLU CA C 17 58.075 57.182 0.893 1
1 116 . 13 1 1 A 17 17 GLU CB C 17 30.005 30.947 -0.942 1
1 118 . 13 1 1 A 17 17 GLU N N 17 121.278 117.147 4.131 1
1 119 . 13 1 1 A 18 18 CYS H H 18 7.884 8.002 -0.118 1
1 120 . 13 1 1 A 18 18 CYS HA H 18 5.030 4.487 0.543 1
1 123 . 13 1 1 A 18 18 CYS C C 18 174.784 174.634 0.150 1
1 124 . 13 1 1 A 18 18 CYS CA C 18 58.712 58.931 -0.219 1
1 125 . 13 1 1 A 18 18 CYS CB C 18 31.646 29.300 2.346 1
1 126 . 13 1 1 A 18 18 CYS N N 18 116.336 115.332 1.004 1
1 127 . 13 1 1 A 19 19 GLN H H 19 8.117 7.973 0.144 1
1 128 . 13 1 1 A 19 19 GLN HA H 19 4.176 4.094 0.082 1
1 135 . 13 1 1 A 19 19 GLN C C 19 175.071 174.375 0.696 1
1 136 . 13 1 1 A 19 19 GLN CA C 19 58.561 57.070 1.491 1
1 137 . 13 1 1 A 19 19 GLN CB C 19 26.375 26.189 0.186 1
1 139 . 13 1 1 A 19 19 GLN N N 19 116.253 116.746 -0.493 1
1 141 . 13 1 1 A 20 20 LYS H H 20 7.920 7.709 0.211 1
1 142 . 13 1 1 A 20 20 LYS HA H 20 4.106 4.855 -0.749 1
1 151 . 13 1 1 A 20 20 LYS C C 20 173.942 175.379 -1.437 1
1 152 . 13 1 1 A 20 20 LYS CA C 20 57.784 54.398 3.386 1
1 153 . 13 1 1 A 20 20 LYS CB C 20 34.257 34.672 -0.415 1
1 157 . 13 1 1 A 20 20 LYS N N 20 121.537 117.145 4.392 1
1 158 . 13 1 1 A 21 21 ALA H H 21 7.796 8.440 -0.644 1
1 159 . 13 1 1 A 21 21 ALA HA H 21 5.070 5.517 -0.447 1
1 163 . 13 1 1 A 21 21 ALA C C 21 176.123 175.320 0.803 1
1 164 . 13 1 1 A 21 21 ALA CA C 21 50.530 50.188 0.342 1
1 165 . 13 1 1 A 21 21 ALA CB C 21 22.271 22.468 -0.197 1
1 166 . 13 1 1 A 21 21 ALA N N 21 123.395 120.845 2.550 1
1 167 . 13 1 1 A 22 22 PHE H H 22 8.662 8.656 0.006 1
1 168 . 13 1 1 A 22 22 PHE HA H 22 4.679 4.923 -0.244 1
1 176 . 13 1 1 A 22 22 PHE C C 22 175.069 176.098 -1.029 1
1 177 . 13 1 1 A 22 22 PHE CA C 22 57.458 56.479 0.979 1
1 178 . 13 1 1 A 22 22 PHE CB C 22 44.024 41.741 2.283 1
1 184 . 13 1 1 A 22 22 PHE N N 22 116.451 118.368 -1.917 1
1 185 . 13 1 1 A 23 23 ASN HA H 23 4.887 4.530 0.357 1
1 190 . 13 1 1 A 23 23 ASN C C 23 175.404 175.693 -0.289 1
1 191 . 13 1 1 A 23 23 ASN CA C 23 55.197 56.095 -0.898 1
1 192 . 13 1 1 A 23 23 ASN CB C 23 39.066 37.801 1.265 1
1 194 . 13 1 1 A 24 24 THR H H 24 7.425 7.819 -0.394 1
1 195 . 13 1 1 A 24 24 THR HA H 24 4.766 4.668 0.098 1
1 200 . 13 1 1 A 24 24 THR C C 24 173.616 174.785 -1.169 1
1 201 . 13 1 1 A 24 24 THR CA C 24 58.695 59.198 -0.503 1
1 202 . 13 1 1 A 24 24 THR CB C 24 72.730 71.385 1.345 1
1 204 . 13 1 1 A 24 24 THR N N 24 106.491 109.957 -3.466 1
1 205 . 13 1 1 A 25 25 LYS H H 25 8.323 8.355 -0.032 1
1 206 . 13 1 1 A 25 25 LYS HA H 25 3.194 3.197 -0.003 1
1 215 . 13 1 1 A 25 25 LYS C C 25 178.784 177.785 0.999 1
1 216 . 13 1 1 A 25 25 LYS CA C 25 58.821 58.962 -0.141 1
1 217 . 13 1 1 A 25 25 LYS CB C 25 31.835 31.994 -0.159 1
1 221 . 13 1 1 A 25 25 LYS N N 25 124.117 122.575 1.542 1
1 222 . 13 1 1 A 26 26 SER H H 26 8.351 8.008 0.343 1
1 223 . 13 1 1 A 26 26 SER HA H 26 4.066 4.015 0.051 1
1 226 . 13 1 1 A 26 26 SER C C 26 176.574 176.875 -0.301 1
1 227 . 13 1 1 A 26 26 SER CA C 26 61.540 61.614 -0.074 1
1 228 . 13 1 1 A 26 26 SER CB C 26 62.205 63.025 -0.820 1
1 229 . 13 1 1 A 26 26 SER N N 26 113.534 113.888 -0.354 1
1 230 . 13 1 1 A 27 27 ASN H H 27 7.720 8.223 -0.503 1
1 231 . 13 1 1 A 27 27 ASN HA H 27 4.461 4.366 0.095 1
1 236 . 13 1 1 A 27 27 ASN C C 27 178.233 177.127 1.106 1
1 237 . 13 1 1 A 27 27 ASN CA C 27 55.387 56.827 -1.440 1
1 238 . 13 1 1 A 27 27 ASN CB C 27 37.652 39.239 -1.587 1
1 239 . 13 1 1 A 27 27 ASN N N 27 119.042 118.820 0.222 1
1 241 . 13 1 1 A 28 28 LEU H H 28 7.445 7.780 -0.335 1
1 242 . 13 1 1 A 28 28 LEU HA H 28 3.276 2.764 0.512 1
1 252 . 13 1 1 A 28 28 LEU C C 28 177.423 178.264 -0.841 1
1 253 . 13 1 1 A 28 28 LEU CA C 28 58.231 57.858 0.373 1
1 254 . 13 1 1 A 28 28 LEU CB C 28 40.386 41.592 -1.206 1
1 258 . 13 1 1 A 28 28 LEU N N 28 122.869 119.968 2.901 1
1 259 . 13 1 1 A 29 29 MET H H 29 8.332 8.197 0.135 1
1 260 . 13 1 1 A 29 29 MET HA H 29 4.187 3.982 0.205 1
1 268 . 13 1 1 A 29 29 MET C C 29 179.451 178.537 0.914 1
1 269 . 13 1 1 A 29 29 MET CA C 29 59.047 58.894 0.153 1
1 270 . 13 1 1 A 29 29 MET CB C 29 32.224 32.177 0.047 1
1 273 . 13 1 1 A 29 29 MET N N 29 118.924 117.352 1.572 1
1 274 . 13 1 1 A 30 30 VAL H H 30 7.797 8.115 -0.318 1
1 275 . 13 1 1 A 30 30 VAL HA H 30 3.523 3.565 -0.042 1
1 283 . 13 1 1 A 30 30 VAL C C 30 179.004 178.249 0.755 1
1 284 . 13 1 1 A 30 30 VAL CA C 30 66.614 66.430 0.184 1
1 285 . 13 1 1 A 30 30 VAL CB C 30 32.139 31.525 0.614 1
1 288 . 13 1 1 A 30 30 VAL N N 30 119.346 119.714 -0.368 1
1 289 . 13 1 1 A 31 31 HIS H H 31 7.373 8.435 -1.062 1
1 290 . 13 1 1 A 31 31 HIS HA H 31 4.217 4.033 0.184 1
1 295 . 13 1 1 A 31 31 HIS C C 31 178.166 176.408 1.758 1
1 296 . 13 1 1 A 31 31 HIS CA C 31 59.194 59.867 -0.673 1
1 297 . 13 1 1 A 31 31 HIS CB C 31 28.095 29.521 -1.426 1
1 300 . 13 1 1 A 31 31 HIS N N 31 119.317 118.979 0.338 1
1 301 . 13 1 1 A 32 32 GLN H H 32 8.912 8.493 0.419 1
1 302 . 13 1 1 A 32 32 GLN HA H 32 3.660 3.763 -0.103 1
1 309 . 13 1 1 A 32 32 GLN C C 32 177.784 178.588 -0.804 1
1 310 . 13 1 1 A 32 32 GLN CA C 32 59.952 59.163 0.789 1
1 311 . 13 1 1 A 32 32 GLN CB C 32 28.263 28.229 0.034 1
1 313 . 13 1 1 A 32 32 GLN N N 32 120.179 117.177 3.002 1
1 315 . 13 1 1 A 33 33 ARG H H 33 7.262 7.830 -0.568 1
1 316 . 13 1 1 A 33 33 ARG HA H 33 4.208 3.925 0.283 1
1 323 . 13 1 1 A 33 33 ARG C C 33 178.239 178.264 -0.025 1
1 324 . 13 1 1 A 33 33 ARG CA C 33 58.523 59.314 -0.791 1
1 325 . 13 1 1 A 33 33 ARG CB C 33 29.988 29.956 0.032 1
1 328 . 13 1 1 A 33 33 ARG N N 33 117.576 119.360 -1.784 1
1 329 . 13 1 1 A 34 34 THR H H 34 7.797 8.141 -0.344 1
1 330 . 13 1 1 A 34 34 THR HA H 34 4.142 4.025 0.117 1
1 335 . 13 1 1 A 34 34 THR C C 34 175.641 176.960 -1.319 1
1 336 . 13 1 1 A 34 34 THR CA C 34 63.920 65.417 -1.497 1
1 337 . 13 1 1 A 34 34 THR CB C 34 69.413 67.984 1.429 1
1 339 . 13 1 1 A 34 34 THR N N 34 109.658 112.673 -3.015 1
1 340 . 13 1 1 A 35 35 HIS H H 35 7.215 7.865 -0.650 1
1 341 . 13 1 1 A 35 35 HIS HA H 35 4.852 4.297 0.555 1
1 346 . 13 1 1 A 35 35 HIS C C 35 175.704 176.821 -1.117 1
1 347 . 13 1 1 A 35 35 HIS CA C 35 55.632 59.348 -3.716 1
1 348 . 13 1 1 A 35 35 HIS CB C 35 28.783 29.913 -1.130 1
1 351 . 13 1 1 A 35 35 HIS N N 35 118.639 119.505 -0.866 1
1 352 . 13 1 1 A 36 36 THR H H 36 7.818 7.838 -0.020 1
1 353 . 13 1 1 A 36 36 THR HA H 36 4.397 4.342 0.055 1
1 358 . 13 1 1 A 36 36 THR C C 36 175.429 174.886 0.543 1
1 359 . 13 1 1 A 36 36 THR CA C 36 62.294 61.698 0.596 1
1 360 . 13 1 1 A 36 36 THR CB C 36 69.885 68.145 1.740 1
1 362 . 13 1 1 A 36 36 THR N N 36 111.712 110.553 1.159 1
1 363 . 13 1 1 A 37 37 GLY H H 37 8.273 7.265 1.008 1
1 364 . 13 1 1 A 37 37 GLY HA2 H 37 4.055 4.093 -0.038 1
1 365 . 13 1 1 A 37 37 GLY HA3 H 37 3.985 4.103 -0.118 1
1 366 . 13 1 1 A 37 37 GLY C C 37 174.325 173.317 1.008 1
1 367 . 13 1 1 A 37 37 GLY CA C 37 45.477 45.598 -0.121 1
1 368 . 13 1 1 A 37 37 GLY N N 37 110.839 108.441 2.398 1
1 369 . 13 1 1 A 38 38 GLU H H 38 8.210 7.928 0.282 1
1 370 . 13 1 1 A 38 38 GLU HA H 38 4.330 4.958 -0.628 1
1 375 . 13 1 1 A 38 38 GLU C C 38 176.563 175.184 1.379 1
1 376 . 13 1 1 A 38 38 GLU CA C 38 56.675 55.135 1.540 1
1 377 . 13 1 1 A 38 38 GLU CB C 38 30.528 32.526 -1.998 1
1 379 . 13 1 1 A 38 38 GLU N N 38 120.721 121.270 -0.549 1
1 380 . 13 1 1 A 39 39 SER H H 39 8.419 8.756 -0.337 1
1 381 . 13 1 1 A 39 39 SER HA H 39 4.499 4.962 -0.463 1
1 384 . 13 1 1 A 39 39 SER C C 39 174.576 174.591 -0.015 1
1 385 . 13 1 1 A 39 39 SER CA C 39 58.389 57.281 1.108 1
1 386 . 13 1 1 A 39 39 SER CB C 39 64.005 62.668 1.337 1
1 387 . 13 1 1 A 39 39 SER N N 39 116.775 124.716 -7.941 1
1 388 . 13 1 1 A 40 40 GLY H H 40 8.241 8.263 -0.022 1
1 389 . 13 1 1 A 40 40 GLY HA2 H 40 4.166 4.151 0.015 1
1 390 . 13 1 1 A 40 40 GLY HA3 H 40 4.077 4.151 -0.074 1
1 391 . 13 1 1 A 40 40 GLY C C 40 171.716 173.266 -1.550 1
1 392 . 13 1 1 A 40 40 GLY CA C 40 44.659 45.585 -0.926 1
1 393 . 13 1 1 A 40 40 GLY N N 40 110.604 113.470 -2.866 1
1 394 . 13 1 1 A 41 41 PRO HA H 41 4.486 4.756 -0.270 1
1 401 . 13 1 1 A 41 41 PRO C C 41 177.364 175.330 2.034 1
1 402 . 13 1 1 A 41 41 PRO CA C 41 63.199 62.859 0.340 1
1 403 . 13 1 1 A 41 41 PRO CB C 41 32.225 31.709 0.516 1
1 406 . 13 1 1 A 42 42 SER H H 42 8.534 8.849 -0.315 1
1 407 . 13 1 1 A 42 42 SER C C 42 174.655 173.396 1.259 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 4.049 4.174 -0.125 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.049 4.175 -0.126 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.520 174.587 -0.067 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.474 45.083 0.391 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.150 8.744 -0.594 1
1 6 . 14 1 1 A 8 8 THR HA H 8 4.390 4.081 0.309 1
1 11 . 14 1 1 A 8 8 THR C C 8 175.239 174.473 0.766 1
1 12 . 14 1 1 A 8 8 THR CA C 8 61.894 62.922 -1.028 1
1 13 . 14 1 1 A 8 8 THR CB C 8 69.895 66.598 3.297 1
1 15 . 14 1 1 A 8 8 THR N N 8 112.793 117.494 -4.701 1
1 16 . 14 1 1 A 9 9 GLY H H 9 8.460 8.488 -0.028 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 3.935 3.967 -0.032 1
1 18 . 14 1 1 A 9 9 GLY HA3 H 9 3.935 3.969 -0.034 1
1 19 . 14 1 1 A 9 9 GLY C C 9 174.058 173.217 0.841 1
1 20 . 14 1 1 A 9 9 GLY CA C 9 45.284 46.188 -0.904 1
1 21 . 14 1 1 A 9 9 GLY N N 9 110.999 111.322 -0.323 1
1 22 . 14 1 1 A 10 10 GLU H H 10 8.232 8.489 -0.257 1
1 23 . 14 1 1 A 10 10 GLU HA H 10 4.221 4.860 -0.639 1
1 28 . 14 1 1 A 10 10 GLU C C 10 176.320 176.148 0.172 1
1 29 . 14 1 1 A 10 10 GLU CA C 10 56.807 55.110 1.697 1
1 30 . 14 1 1 A 10 10 GLU CB C 10 30.485 32.568 -2.083 1
1 32 . 14 1 1 A 10 10 GLU N N 10 120.268 122.337 -2.069 1
1 33 . 14 1 1 A 11 11 LYS H H 11 8.293 8.550 -0.257 1
1 34 . 14 1 1 A 11 11 LYS HA H 11 4.511 4.208 0.303 1
1 43 . 14 1 1 A 11 11 LYS C C 11 173.935 176.343 -2.408 1
1 44 . 14 1 1 A 11 11 LYS CA C 11 53.941 55.174 -1.233 1
1 45 . 14 1 1 A 11 11 LYS CB C 11 32.968 31.852 1.116 1
1 49 . 14 1 1 A 11 11 LYS N N 11 121.633 124.279 -2.646 1
1 50 . 14 1 1 A 12 12 PRO HA H 12 4.311 4.309 0.002 1
1 57 . 14 1 1 A 12 12 PRO C C 12 176.347 175.690 0.657 1
1 58 . 14 1 1 A 12 12 PRO CA C 12 63.422 63.909 -0.487 1
1 59 . 14 1 1 A 12 12 PRO CB C 12 32.261 31.070 1.191 1
1 62 . 14 1 1 A 13 13 TYR H H 13 8.065 7.336 0.729 1
1 63 . 14 1 1 A 13 13 TYR HA H 13 4.593 5.146 -0.553 1
1 70 . 14 1 1 A 13 13 TYR C C 13 174.711 174.446 0.265 1
1 71 . 14 1 1 A 13 13 TYR CA C 13 57.524 56.664 0.860 1
1 72 . 14 1 1 A 13 13 TYR CB C 13 38.493 39.916 -1.423 1
1 77 . 14 1 1 A 13 13 TYR N N 13 118.480 119.188 -0.708 1
1 78 . 14 1 1 A 14 14 GLU H H 14 8.555 8.975 -0.420 1
1 79 . 14 1 1 A 14 14 GLU HA H 14 4.830 5.018 -0.188 1
1 84 . 14 1 1 A 14 14 GLU C C 14 175.283 175.581 -0.298 1
1 85 . 14 1 1 A 14 14 GLU CA C 14 55.294 54.642 0.652 1
1 86 . 14 1 1 A 14 14 GLU CB C 14 32.651 32.692 -0.041 1
1 88 . 14 1 1 A 14 14 GLU N N 14 124.223 123.868 0.355 1
1 89 . 14 1 1 A 15 15 CYS H H 15 9.054 8.746 0.308 1
1 90 . 14 1 1 A 15 15 CYS HA H 15 4.519 4.560 -0.041 1
1 93 . 14 1 1 A 15 15 CYS C C 15 176.371 177.057 -0.686 1
1 94 . 14 1 1 A 15 15 CYS CA C 15 59.775 59.887 -0.112 1
1 95 . 14 1 1 A 15 15 CYS CB C 15 29.834 28.731 1.103 1
1 96 . 14 1 1 A 15 15 CYS N N 15 126.124 124.909 1.215 1
1 97 . 14 1 1 A 16 16 ASN H H 16 9.145 9.007 0.138 1
1 98 . 14 1 1 A 16 16 ASN HA H 16 4.664 4.686 -0.022 1
1 103 . 14 1 1 A 16 16 ASN C C 16 175.434 174.440 0.994 1
1 104 . 14 1 1 A 16 16 ASN CA C 16 55.450 53.368 2.082 1
1 105 . 14 1 1 A 16 16 ASN CB C 16 38.367 37.249 1.118 1
1 106 . 14 1 1 A 16 16 ASN N N 16 128.375 124.133 4.242 1
1 108 . 14 1 1 A 17 17 GLU H H 17 8.940 8.078 0.862 1
1 109 . 14 1 1 A 17 17 GLU HA H 17 4.309 4.493 -0.184 1
1 114 . 14 1 1 A 17 17 GLU C C 17 176.943 177.839 -0.896 1
1 115 . 14 1 1 A 17 17 GLU CA C 17 58.075 57.167 0.908 1
1 116 . 14 1 1 A 17 17 GLU CB C 17 30.005 32.154 -2.149 1
1 118 . 14 1 1 A 17 17 GLU N N 17 121.278 116.980 4.298 1
1 119 . 14 1 1 A 18 18 CYS H H 18 7.884 8.078 -0.194 1
1 120 . 14 1 1 A 18 18 CYS HA H 18 5.030 4.553 0.477 1
1 123 . 14 1 1 A 18 18 CYS C C 18 174.784 174.567 0.217 1
1 124 . 14 1 1 A 18 18 CYS CA C 18 58.712 58.184 0.528 1
1 125 . 14 1 1 A 18 18 CYS CB C 18 31.646 29.287 2.359 1
1 126 . 14 1 1 A 18 18 CYS N N 18 116.336 114.780 1.556 1
1 127 . 14 1 1 A 19 19 GLN H H 19 8.117 7.816 0.301 1
1 128 . 14 1 1 A 19 19 GLN HA H 19 4.176 4.297 -0.121 1
1 135 . 14 1 1 A 19 19 GLN C C 19 175.071 173.937 1.134 1
1 136 . 14 1 1 A 19 19 GLN CA C 19 58.561 57.054 1.507 1
1 137 . 14 1 1 A 19 19 GLN CB C 19 26.375 26.293 0.082 1
1 139 . 14 1 1 A 19 19 GLN N N 19 116.253 116.376 -0.123 1
1 141 . 14 1 1 A 20 20 LYS H H 20 7.920 7.923 -0.003 1
1 142 . 14 1 1 A 20 20 LYS HA H 20 4.106 4.641 -0.535 1
1 151 . 14 1 1 A 20 20 LYS C C 20 173.942 175.642 -1.700 1
1 152 . 14 1 1 A 20 20 LYS CA C 20 57.784 55.043 2.741 1
1 153 . 14 1 1 A 20 20 LYS CB C 20 34.257 34.404 -0.147 1
1 157 . 14 1 1 A 20 20 LYS N N 20 121.537 119.260 2.277 1
1 158 . 14 1 1 A 21 21 ALA H H 21 7.796 8.565 -0.769 1
1 159 . 14 1 1 A 21 21 ALA HA H 21 5.070 5.031 0.039 1
1 163 . 14 1 1 A 21 21 ALA C C 21 176.123 177.244 -1.121 1
1 164 . 14 1 1 A 21 21 ALA CA C 21 50.530 52.199 -1.669 1
1 165 . 14 1 1 A 21 21 ALA CB C 21 22.271 19.943 2.328 1
1 166 . 14 1 1 A 21 21 ALA N N 21 123.395 129.573 -6.178 1
1 167 . 14 1 1 A 22 22 PHE H H 22 8.662 8.638 0.024 1
1 168 . 14 1 1 A 22 22 PHE HA H 22 4.679 4.990 -0.311 1
1 176 . 14 1 1 A 22 22 PHE C C 22 175.069 175.877 -0.808 1
1 177 . 14 1 1 A 22 22 PHE CA C 22 57.458 56.972 0.486 1
1 178 . 14 1 1 A 22 22 PHE CB C 22 44.024 43.640 0.384 1
1 184 . 14 1 1 A 22 22 PHE N N 22 116.451 118.148 -1.697 1
1 185 . 14 1 1 A 23 23 ASN HA H 23 4.887 4.944 -0.057 1
1 190 . 14 1 1 A 23 23 ASN C C 23 175.404 175.294 0.110 1
1 191 . 14 1 1 A 23 23 ASN CA C 23 55.197 54.864 0.333 1
1 192 . 14 1 1 A 23 23 ASN CB C 23 39.066 40.009 -0.943 1
1 194 . 14 1 1 A 24 24 THR H H 24 7.425 7.708 -0.283 1
1 195 . 14 1 1 A 24 24 THR HA H 24 4.766 4.515 0.251 1
1 200 . 14 1 1 A 24 24 THR C C 24 173.616 174.590 -0.974 1
1 201 . 14 1 1 A 24 24 THR CA C 24 58.695 58.851 -0.156 1
1 202 . 14 1 1 A 24 24 THR CB C 24 72.730 71.516 1.214 1
1 204 . 14 1 1 A 24 24 THR N N 24 106.491 108.453 -1.962 1
1 205 . 14 1 1 A 25 25 LYS H H 25 8.323 8.431 -0.108 1
1 206 . 14 1 1 A 25 25 LYS HA H 25 3.194 3.241 -0.047 1
1 215 . 14 1 1 A 25 25 LYS C C 25 178.784 177.847 0.937 1
1 216 . 14 1 1 A 25 25 LYS CA C 25 58.821 59.965 -1.144 1
1 217 . 14 1 1 A 25 25 LYS CB C 25 31.835 31.956 -0.121 1
1 221 . 14 1 1 A 25 25 LYS N N 25 124.117 122.821 1.296 1
1 222 . 14 1 1 A 26 26 SER H H 26 8.351 7.836 0.515 1
1 223 . 14 1 1 A 26 26 SER HA H 26 4.066 4.017 0.049 1
1 226 . 14 1 1 A 26 26 SER C C 26 176.574 177.104 -0.530 1
1 227 . 14 1 1 A 26 26 SER CA C 26 61.540 61.680 -0.140 1
1 228 . 14 1 1 A 26 26 SER CB C 26 62.205 63.058 -0.853 1
1 229 . 14 1 1 A 26 26 SER N N 26 113.534 113.807 -0.273 1
1 230 . 14 1 1 A 27 27 ASN H H 27 7.720 8.103 -0.383 1
1 231 . 14 1 1 A 27 27 ASN HA H 27 4.461 4.410 0.051 1
1 236 . 14 1 1 A 27 27 ASN C C 27 178.233 177.744 0.489 1
1 237 . 14 1 1 A 27 27 ASN CA C 27 55.387 56.426 -1.039 1
1 238 . 14 1 1 A 27 27 ASN CB C 27 37.652 37.936 -0.284 1
1 239 . 14 1 1 A 27 27 ASN N N 27 119.042 120.010 -0.968 1
1 241 . 14 1 1 A 28 28 LEU H H 28 7.445 7.583 -0.138 1
1 242 . 14 1 1 A 28 28 LEU HA H 28 3.276 3.100 0.176 1
1 252 . 14 1 1 A 28 28 LEU C C 28 177.423 178.521 -1.098 1
1 253 . 14 1 1 A 28 28 LEU CA C 28 58.231 57.756 0.475 1
1 254 . 14 1 1 A 28 28 LEU CB C 28 40.386 41.173 -0.787 1
1 258 . 14 1 1 A 28 28 LEU N N 28 122.869 121.118 1.751 1
1 259 . 14 1 1 A 29 29 MET H H 29 8.332 8.418 -0.086 1
1 260 . 14 1 1 A 29 29 MET HA H 29 4.187 3.970 0.217 1
1 268 . 14 1 1 A 29 29 MET C C 29 179.451 178.647 0.804 1
1 269 . 14 1 1 A 29 29 MET CA C 29 59.047 58.662 0.385 1
1 270 . 14 1 1 A 29 29 MET CB C 29 32.224 32.011 0.213 1
1 273 . 14 1 1 A 29 29 MET N N 29 118.924 117.463 1.461 1
1 274 . 14 1 1 A 30 30 VAL H H 30 7.797 7.965 -0.168 1
1 275 . 14 1 1 A 30 30 VAL HA H 30 3.523 3.592 -0.069 1
1 283 . 14 1 1 A 30 30 VAL C C 30 179.004 177.964 1.040 1
1 284 . 14 1 1 A 30 30 VAL CA C 30 66.614 66.242 0.372 1
1 285 . 14 1 1 A 30 30 VAL CB C 30 32.139 31.371 0.768 1
1 288 . 14 1 1 A 30 30 VAL N N 30 119.346 119.794 -0.448 1
1 289 . 14 1 1 A 31 31 HIS H H 31 7.373 8.197 -0.824 1
1 290 . 14 1 1 A 31 31 HIS HA H 31 4.217 4.000 0.217 1
1 295 . 14 1 1 A 31 31 HIS C C 31 178.166 176.774 1.392 1
1 296 . 14 1 1 A 31 31 HIS CA C 31 59.194 59.936 -0.742 1
1 297 . 14 1 1 A 31 31 HIS CB C 31 28.095 29.547 -1.452 1
1 300 . 14 1 1 A 31 31 HIS N N 31 119.317 119.222 0.095 1
1 301 . 14 1 1 A 32 32 GLN H H 32 8.912 7.629 1.283 1
1 302 . 14 1 1 A 32 32 GLN HA H 32 3.660 3.905 -0.245 1
1 309 . 14 1 1 A 32 32 GLN C C 32 177.784 178.276 -0.492 1
1 310 . 14 1 1 A 32 32 GLN CA C 32 59.952 57.797 2.155 1
1 311 . 14 1 1 A 32 32 GLN CB C 32 28.263 28.407 -0.144 1
1 313 . 14 1 1 A 32 32 GLN N N 32 120.179 118.733 1.446 1
1 315 . 14 1 1 A 33 33 ARG H H 33 7.262 7.924 -0.662 1
1 316 . 14 1 1 A 33 33 ARG HA H 33 4.208 4.068 0.140 1
1 323 . 14 1 1 A 33 33 ARG C C 33 178.239 179.112 -0.873 1
1 324 . 14 1 1 A 33 33 ARG CA C 33 58.523 59.190 -0.667 1
1 325 . 14 1 1 A 33 33 ARG CB C 33 29.988 30.627 -0.639 1
1 328 . 14 1 1 A 33 33 ARG N N 33 117.576 120.209 -2.633 1
1 329 . 14 1 1 A 34 34 THR H H 34 7.797 7.526 0.271 1
1 330 . 14 1 1 A 34 34 THR HA H 34 4.142 4.035 0.107 1
1 335 . 14 1 1 A 34 34 THR C C 34 175.641 176.547 -0.906 1
1 336 . 14 1 1 A 34 34 THR CA C 34 63.920 65.057 -1.137 1
1 337 . 14 1 1 A 34 34 THR CB C 34 69.413 68.405 1.008 1
1 339 . 14 1 1 A 34 34 THR N N 34 109.658 114.152 -4.494 1
1 340 . 14 1 1 A 35 35 HIS H H 35 7.215 7.644 -0.429 1
1 341 . 14 1 1 A 35 35 HIS HA H 35 4.852 4.322 0.530 1
1 346 . 14 1 1 A 35 35 HIS C C 35 175.704 176.315 -0.611 1
1 347 . 14 1 1 A 35 35 HIS CA C 35 55.632 58.995 -3.363 1
1 348 . 14 1 1 A 35 35 HIS CB C 35 28.783 29.884 -1.101 1
1 351 . 14 1 1 A 35 35 HIS N N 35 118.639 118.973 -0.334 1
1 352 . 14 1 1 A 36 36 THR H H 36 7.818 7.654 0.164 1
1 353 . 14 1 1 A 36 36 THR HA H 36 4.397 4.068 0.329 1
1 358 . 14 1 1 A 36 36 THR C C 36 175.429 174.559 0.870 1
1 359 . 14 1 1 A 36 36 THR CA C 36 62.294 63.437 -1.143 1
1 360 . 14 1 1 A 36 36 THR CB C 36 69.885 69.335 0.550 1
1 362 . 14 1 1 A 36 36 THR N N 36 111.712 112.218 -0.506 1
1 363 . 14 1 1 A 37 37 GLY H H 37 8.273 8.406 -0.133 1
1 364 . 14 1 1 A 37 37 GLY HA2 H 37 4.055 4.056 -0.001 1
1 365 . 14 1 1 A 37 37 GLY HA3 H 37 3.985 4.058 -0.073 1
1 366 . 14 1 1 A 37 37 GLY C C 37 174.325 173.890 0.435 1
1 367 . 14 1 1 A 37 37 GLY CA C 37 45.477 44.575 0.902 1
1 368 . 14 1 1 A 37 37 GLY N N 37 110.839 115.703 -4.864 1
1 369 . 14 1 1 A 38 38 GLU H H 38 8.210 8.394 -0.184 1
1 370 . 14 1 1 A 38 38 GLU HA H 38 4.330 4.556 -0.226 1
1 375 . 14 1 1 A 38 38 GLU C C 38 176.563 175.494 1.069 1
1 376 . 14 1 1 A 38 38 GLU CA C 38 56.675 55.996 0.679 1
1 377 . 14 1 1 A 38 38 GLU CB C 38 30.528 29.950 0.578 1
1 379 . 14 1 1 A 38 38 GLU N N 38 120.721 122.341 -1.620 1
1 380 . 14 1 1 A 39 39 SER H H 39 8.419 8.788 -0.369 1
1 381 . 14 1 1 A 39 39 SER HA H 39 4.499 4.800 -0.301 1
1 384 . 14 1 1 A 39 39 SER C C 39 174.576 174.482 0.094 1
1 385 . 14 1 1 A 39 39 SER CA C 39 58.389 57.341 1.048 1
1 386 . 14 1 1 A 39 39 SER CB C 39 64.005 62.628 1.377 1
1 387 . 14 1 1 A 39 39 SER N N 39 116.775 122.438 -5.663 1
1 388 . 14 1 1 A 40 40 GLY H H 40 8.241 8.772 -0.531 1
1 389 . 14 1 1 A 40 40 GLY HA2 H 40 4.166 3.967 0.199 1
1 390 . 14 1 1 A 40 40 GLY HA3 H 40 4.077 3.971 0.106 1
1 391 . 14 1 1 A 40 40 GLY C C 40 171.716 174.482 -2.766 1
1 392 . 14 1 1 A 40 40 GLY CA C 40 44.659 45.077 -0.418 1
1 393 . 14 1 1 A 40 40 GLY N N 40 110.604 115.615 -5.011 1
1 394 . 14 1 1 A 41 41 PRO HA H 41 4.486 4.451 0.035 1
1 401 . 14 1 1 A 41 41 PRO C C 41 177.364 176.550 0.814 1
1 402 . 14 1 1 A 41 41 PRO CA C 41 63.199 65.044 -1.845 1
1 403 . 14 1 1 A 41 41 PRO CB C 41 32.225 31.637 0.588 1
1 406 . 14 1 1 A 42 42 SER H H 42 8.534 7.719 0.815 1
1 407 . 14 1 1 A 42 42 SER C C 42 174.655 173.806 0.849 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 4.049 4.225 -0.176 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.049 4.226 -0.177 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.520 173.217 1.303 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.474 45.555 -0.081 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.150 8.398 -0.248 1
1 6 . 15 1 1 A 8 8 THR HA H 8 4.390 4.424 -0.034 1
1 11 . 15 1 1 A 8 8 THR C C 8 175.239 175.409 -0.170 1
1 12 . 15 1 1 A 8 8 THR CA C 8 61.894 62.892 -0.998 1
1 13 . 15 1 1 A 8 8 THR CB C 8 69.895 69.898 -0.003 1
1 15 . 15 1 1 A 8 8 THR N N 8 112.793 110.871 1.922 1
1 16 . 15 1 1 A 9 9 GLY H H 9 8.460 7.773 0.687 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 3.935 3.971 -0.036 1
1 18 . 15 1 1 A 9 9 GLY HA3 H 9 3.935 3.971 -0.036 1
1 19 . 15 1 1 A 9 9 GLY C C 9 174.058 173.231 0.827 1
1 20 . 15 1 1 A 9 9 GLY CA C 9 45.284 45.746 -0.462 1
1 21 . 15 1 1 A 9 9 GLY N N 9 110.999 109.811 1.188 1
1 22 . 15 1 1 A 10 10 GLU H H 10 8.232 8.831 -0.599 1
1 23 . 15 1 1 A 10 10 GLU HA H 10 4.221 4.856 -0.635 1
1 28 . 15 1 1 A 10 10 GLU C C 10 176.320 175.837 0.483 1
1 29 . 15 1 1 A 10 10 GLU CA C 10 56.807 54.968 1.839 1
1 30 . 15 1 1 A 10 10 GLU CB C 10 30.485 32.896 -2.411 1
1 32 . 15 1 1 A 10 10 GLU N N 10 120.268 121.630 -1.362 1
1 33 . 15 1 1 A 11 11 LYS H H 11 8.293 8.461 -0.168 1
1 34 . 15 1 1 A 11 11 LYS HA H 11 4.511 4.274 0.237 1
1 43 . 15 1 1 A 11 11 LYS C C 11 173.935 176.542 -2.607 1
1 44 . 15 1 1 A 11 11 LYS CA C 11 53.941 54.910 -0.969 1
1 45 . 15 1 1 A 11 11 LYS CB C 11 32.968 31.900 1.068 1
1 49 . 15 1 1 A 11 11 LYS N N 11 121.633 125.100 -3.467 1
1 50 . 15 1 1 A 12 12 PRO HA H 12 4.311 4.350 -0.039 1
1 57 . 15 1 1 A 12 12 PRO C C 12 176.347 175.499 0.848 1
1 58 . 15 1 1 A 12 12 PRO CA C 12 63.422 63.864 -0.442 1
1 59 . 15 1 1 A 12 12 PRO CB C 12 32.261 31.169 1.092 1
1 62 . 15 1 1 A 13 13 TYR H H 13 8.065 7.420 0.645 1
1 63 . 15 1 1 A 13 13 TYR HA H 13 4.593 5.290 -0.697 1
1 70 . 15 1 1 A 13 13 TYR C C 13 174.711 175.197 -0.486 1
1 71 . 15 1 1 A 13 13 TYR CA C 13 57.524 56.997 0.527 1
1 72 . 15 1 1 A 13 13 TYR CB C 13 38.493 41.240 -2.747 1
1 77 . 15 1 1 A 13 13 TYR N N 13 118.480 119.258 -0.778 1
1 78 . 15 1 1 A 14 14 GLU H H 14 8.555 8.916 -0.361 1
1 79 . 15 1 1 A 14 14 GLU HA H 14 4.830 5.048 -0.218 1
1 84 . 15 1 1 A 14 14 GLU C C 14 175.283 175.489 -0.206 1
1 85 . 15 1 1 A 14 14 GLU CA C 14 55.294 55.021 0.273 1
1 86 . 15 1 1 A 14 14 GLU CB C 14 32.651 33.410 -0.759 1
1 88 . 15 1 1 A 14 14 GLU N N 14 124.223 122.152 2.071 1
1 89 . 15 1 1 A 15 15 CYS H H 15 9.054 8.929 0.125 1
1 90 . 15 1 1 A 15 15 CYS HA H 15 4.519 4.485 0.034 1
1 93 . 15 1 1 A 15 15 CYS C C 15 176.371 175.982 0.389 1
1 94 . 15 1 1 A 15 15 CYS CA C 15 59.775 60.218 -0.443 1
1 95 . 15 1 1 A 15 15 CYS CB C 15 29.834 28.470 1.364 1
1 96 . 15 1 1 A 15 15 CYS N N 15 126.124 124.590 1.534 1
1 97 . 15 1 1 A 16 16 ASN H H 16 9.145 9.240 -0.095 1
1 98 . 15 1 1 A 16 16 ASN HA H 16 4.664 4.941 -0.277 1
1 103 . 15 1 1 A 16 16 ASN C C 16 175.434 175.608 -0.174 1
1 104 . 15 1 1 A 16 16 ASN CA C 16 55.450 53.612 1.838 1
1 105 . 15 1 1 A 16 16 ASN CB C 16 38.367 38.849 -0.482 1
1 106 . 15 1 1 A 16 16 ASN N N 16 128.375 126.538 1.837 1
1 108 . 15 1 1 A 17 17 GLU H H 17 8.940 8.007 0.933 1
1 109 . 15 1 1 A 17 17 GLU HA H 17 4.309 4.457 -0.148 1
1 114 . 15 1 1 A 17 17 GLU C C 17 176.943 177.744 -0.801 1
1 115 . 15 1 1 A 17 17 GLU CA C 17 58.075 57.238 0.837 1
1 116 . 15 1 1 A 17 17 GLU CB C 17 30.005 31.708 -1.703 1
1 118 . 15 1 1 A 17 17 GLU N N 17 121.278 117.190 4.088 1
1 119 . 15 1 1 A 18 18 CYS H H 18 7.884 8.125 -0.241 1
1 120 . 15 1 1 A 18 18 CYS HA H 18 5.030 4.551 0.479 1
1 123 . 15 1 1 A 18 18 CYS C C 18 174.784 174.492 0.292 1
1 124 . 15 1 1 A 18 18 CYS CA C 18 58.712 58.904 -0.192 1
1 125 . 15 1 1 A 18 18 CYS CB C 18 31.646 28.780 2.866 1
1 126 . 15 1 1 A 18 18 CYS N N 18 116.336 114.647 1.689 1
1 127 . 15 1 1 A 19 19 GLN H H 19 8.117 7.690 0.427 1
1 128 . 15 1 1 A 19 19 GLN HA H 19 4.176 4.261 -0.085 1
1 135 . 15 1 1 A 19 19 GLN C C 19 175.071 173.890 1.181 1
1 136 . 15 1 1 A 19 19 GLN CA C 19 58.561 57.063 1.498 1
1 137 . 15 1 1 A 19 19 GLN CB C 19 26.375 26.251 0.124 1
1 139 . 15 1 1 A 19 19 GLN N N 19 116.253 116.518 -0.265 1
1 141 . 15 1 1 A 20 20 LYS H H 20 7.920 7.860 0.060 1
1 142 . 15 1 1 A 20 20 LYS HA H 20 4.106 4.664 -0.558 1
1 151 . 15 1 1 A 20 20 LYS C C 20 173.942 175.849 -1.907 1
1 152 . 15 1 1 A 20 20 LYS CA C 20 57.784 55.141 2.643 1
1 153 . 15 1 1 A 20 20 LYS CB C 20 34.257 34.450 -0.193 1
1 157 . 15 1 1 A 20 20 LYS N N 20 121.537 119.173 2.364 1
1 158 . 15 1 1 A 21 21 ALA H H 21 7.796 8.571 -0.775 1
1 159 . 15 1 1 A 21 21 ALA HA H 21 5.070 4.898 0.172 1
1 163 . 15 1 1 A 21 21 ALA C C 21 176.123 177.092 -0.969 1
1 164 . 15 1 1 A 21 21 ALA CA C 21 50.530 52.245 -1.715 1
1 165 . 15 1 1 A 21 21 ALA CB C 21 22.271 19.880 2.391 1
1 166 . 15 1 1 A 21 21 ALA N N 21 123.395 129.091 -5.696 1
1 167 . 15 1 1 A 22 22 PHE H H 22 8.662 8.511 0.151 1
1 168 . 15 1 1 A 22 22 PHE HA H 22 4.679 4.898 -0.219 1
1 176 . 15 1 1 A 22 22 PHE C C 22 175.069 175.801 -0.732 1
1 177 . 15 1 1 A 22 22 PHE CA C 22 57.458 56.468 0.990 1
1 178 . 15 1 1 A 22 22 PHE CB C 22 44.024 43.458 0.566 1
1 184 . 15 1 1 A 22 22 PHE N N 22 116.451 118.546 -2.095 1
1 185 . 15 1 1 A 23 23 ASN HA H 23 4.887 4.626 0.261 1
1 190 . 15 1 1 A 23 23 ASN C C 23 175.404 175.435 -0.031 1
1 191 . 15 1 1 A 23 23 ASN CA C 23 55.197 56.145 -0.948 1
1 192 . 15 1 1 A 23 23 ASN CB C 23 39.066 38.862 0.204 1
1 194 . 15 1 1 A 24 24 THR H H 24 7.425 7.777 -0.352 1
1 195 . 15 1 1 A 24 24 THR HA H 24 4.766 4.589 0.177 1
1 200 . 15 1 1 A 24 24 THR C C 24 173.616 174.645 -1.029 1
1 201 . 15 1 1 A 24 24 THR CA C 24 58.695 59.288 -0.593 1
1 202 . 15 1 1 A 24 24 THR CB C 24 72.730 72.568 0.162 1
1 204 . 15 1 1 A 24 24 THR N N 24 106.491 107.913 -1.422 1
1 205 . 15 1 1 A 25 25 LYS H H 25 8.323 8.046 0.277 1
1 206 . 15 1 1 A 25 25 LYS HA H 25 3.194 3.312 -0.118 1
1 215 . 15 1 1 A 25 25 LYS C C 25 178.784 177.757 1.027 1
1 216 . 15 1 1 A 25 25 LYS CA C 25 58.821 59.781 -0.960 1
1 217 . 15 1 1 A 25 25 LYS CB C 25 31.835 31.852 -0.017 1
1 221 . 15 1 1 A 25 25 LYS N N 25 124.117 122.361 1.756 1
1 222 . 15 1 1 A 26 26 SER H H 26 8.351 7.851 0.500 1
1 223 . 15 1 1 A 26 26 SER HA H 26 4.066 4.017 0.049 1
1 226 . 15 1 1 A 26 26 SER C C 26 176.574 177.052 -0.478 1
1 227 . 15 1 1 A 26 26 SER CA C 26 61.540 61.470 0.070 1
1 228 . 15 1 1 A 26 26 SER CB C 26 62.205 62.882 -0.677 1
1 229 . 15 1 1 A 26 26 SER N N 26 113.534 113.881 -0.347 1
1 230 . 15 1 1 A 27 27 ASN H H 27 7.720 7.946 -0.226 1
1 231 . 15 1 1 A 27 27 ASN HA H 27 4.461 4.522 -0.061 1
1 236 . 15 1 1 A 27 27 ASN C C 27 178.233 177.644 0.589 1
1 237 . 15 1 1 A 27 27 ASN CA C 27 55.387 56.218 -0.831 1
1 238 . 15 1 1 A 27 27 ASN CB C 27 37.652 38.425 -0.773 1
1 239 . 15 1 1 A 27 27 ASN N N 27 119.042 119.740 -0.698 1
1 241 . 15 1 1 A 28 28 LEU H H 28 7.445 7.748 -0.303 1
1 242 . 15 1 1 A 28 28 LEU HA H 28 3.276 2.990 0.286 1
1 252 . 15 1 1 A 28 28 LEU C C 28 177.423 178.367 -0.944 1
1 253 . 15 1 1 A 28 28 LEU CA C 28 58.231 57.669 0.562 1
1 254 . 15 1 1 A 28 28 LEU CB C 28 40.386 41.203 -0.817 1
1 258 . 15 1 1 A 28 28 LEU N N 28 122.869 120.661 2.208 1
1 259 . 15 1 1 A 29 29 MET H H 29 8.332 8.411 -0.079 1
1 260 . 15 1 1 A 29 29 MET HA H 29 4.187 3.993 0.194 1
1 268 . 15 1 1 A 29 29 MET C C 29 179.451 178.609 0.842 1
1 269 . 15 1 1 A 29 29 MET CA C 29 59.047 58.696 0.351 1
1 270 . 15 1 1 A 29 29 MET CB C 29 32.224 32.246 -0.022 1
1 273 . 15 1 1 A 29 29 MET N N 29 118.924 117.266 1.658 1
1 274 . 15 1 1 A 30 30 VAL H H 30 7.797 7.794 0.003 1
1 275 . 15 1 1 A 30 30 VAL HA H 30 3.523 3.527 -0.004 1
1 283 . 15 1 1 A 30 30 VAL C C 30 179.004 178.418 0.586 1
1 284 . 15 1 1 A 30 30 VAL CA C 30 66.614 66.395 0.219 1
1 285 . 15 1 1 A 30 30 VAL CB C 30 32.139 31.409 0.730 1
1 288 . 15 1 1 A 30 30 VAL N N 30 119.346 119.649 -0.303 1
1 289 . 15 1 1 A 31 31 HIS H H 31 7.373 8.045 -0.672 1
1 290 . 15 1 1 A 31 31 HIS HA H 31 4.217 4.017 0.200 1
1 295 . 15 1 1 A 31 31 HIS C C 31 178.166 176.403 1.763 1
1 296 . 15 1 1 A 31 31 HIS CA C 31 59.194 59.931 -0.737 1
1 297 . 15 1 1 A 31 31 HIS CB C 31 28.095 29.886 -1.791 1
1 300 . 15 1 1 A 31 31 HIS N N 31 119.317 119.629 -0.312 1
1 301 . 15 1 1 A 32 32 GLN H H 32 8.912 8.533 0.379 1
1 302 . 15 1 1 A 32 32 GLN HA H 32 3.660 3.790 -0.130 1
1 309 . 15 1 1 A 32 32 GLN C C 32 177.784 178.702 -0.918 1
1 310 . 15 1 1 A 32 32 GLN CA C 32 59.952 59.211 0.741 1
1 311 . 15 1 1 A 32 32 GLN CB C 32 28.263 28.287 -0.024 1
1 313 . 15 1 1 A 32 32 GLN N N 32 120.179 116.731 3.448 1
1 315 . 15 1 1 A 33 33 ARG H H 33 7.262 7.577 -0.315 1
1 316 . 15 1 1 A 33 33 ARG HA H 33 4.208 3.952 0.256 1
1 323 . 15 1 1 A 33 33 ARG C C 33 178.239 178.146 0.093 1
1 324 . 15 1 1 A 33 33 ARG CA C 33 58.523 59.359 -0.836 1
1 325 . 15 1 1 A 33 33 ARG CB C 33 29.988 29.911 0.077 1
1 328 . 15 1 1 A 33 33 ARG N N 33 117.576 119.755 -2.179 1
1 329 . 15 1 1 A 34 34 THR H H 34 7.797 8.373 -0.576 1
1 330 . 15 1 1 A 34 34 THR HA H 34 4.142 3.983 0.159 1
1 335 . 15 1 1 A 34 34 THR C C 34 175.641 176.819 -1.178 1
1 336 . 15 1 1 A 34 34 THR CA C 34 63.920 65.331 -1.411 1
1 337 . 15 1 1 A 34 34 THR CB C 34 69.413 67.960 1.453 1
1 339 . 15 1 1 A 34 34 THR N N 34 109.658 112.700 -3.042 1
1 340 . 15 1 1 A 35 35 HIS H H 35 7.215 8.012 -0.797 1
1 341 . 15 1 1 A 35 35 HIS HA H 35 4.852 4.244 0.608 1
1 346 . 15 1 1 A 35 35 HIS C C 35 175.704 176.462 -0.758 1
1 347 . 15 1 1 A 35 35 HIS CA C 35 55.632 58.706 -3.074 1
1 348 . 15 1 1 A 35 35 HIS CB C 35 28.783 29.761 -0.978 1
1 351 . 15 1 1 A 35 35 HIS N N 35 118.639 119.520 -0.881 1
1 352 . 15 1 1 A 36 36 THR H H 36 7.818 7.894 -0.076 1
1 353 . 15 1 1 A 36 36 THR HA H 36 4.397 3.916 0.481 1
1 358 . 15 1 1 A 36 36 THR C C 36 175.429 175.533 -0.104 1
1 359 . 15 1 1 A 36 36 THR CA C 36 62.294 63.854 -1.560 1
1 360 . 15 1 1 A 36 36 THR CB C 36 69.885 68.739 1.146 1
1 362 . 15 1 1 A 36 36 THR N N 36 111.712 111.691 0.021 1
1 363 . 15 1 1 A 37 37 GLY H H 37 8.273 8.941 -0.668 1
1 364 . 15 1 1 A 37 37 GLY HA2 H 37 4.055 3.871 0.184 1
1 365 . 15 1 1 A 37 37 GLY HA3 H 37 3.985 3.875 0.110 1
1 366 . 15 1 1 A 37 37 GLY C C 37 174.325 173.950 0.375 1
1 367 . 15 1 1 A 37 37 GLY CA C 37 45.477 46.946 -1.469 1
1 368 . 15 1 1 A 37 37 GLY N N 37 110.839 116.352 -5.513 1
1 369 . 15 1 1 A 38 38 GLU H H 38 8.210 8.611 -0.401 1
1 370 . 15 1 1 A 38 38 GLU HA H 38 4.330 4.589 -0.259 1
1 375 . 15 1 1 A 38 38 GLU C C 38 176.563 175.301 1.262 1
1 376 . 15 1 1 A 38 38 GLU CA C 38 56.675 55.207 1.468 1
1 377 . 15 1 1 A 38 38 GLU CB C 38 30.528 29.389 1.139 1
1 379 . 15 1 1 A 38 38 GLU N N 38 120.721 126.726 -6.005 1
1 380 . 15 1 1 A 39 39 SER H H 39 8.419 8.873 -0.454 1
1 381 . 15 1 1 A 39 39 SER HA H 39 4.499 4.618 -0.119 1
1 384 . 15 1 1 A 39 39 SER C C 39 174.576 174.618 -0.042 1
1 385 . 15 1 1 A 39 39 SER CA C 39 58.389 58.165 0.224 1
1 386 . 15 1 1 A 39 39 SER CB C 39 64.005 63.375 0.630 1
1 387 . 15 1 1 A 39 39 SER N N 39 116.775 123.728 -6.953 1
1 388 . 15 1 1 A 40 40 GLY H H 40 8.241 8.695 -0.454 1
1 389 . 15 1 1 A 40 40 GLY HA2 H 40 4.166 3.975 0.191 1
1 390 . 15 1 1 A 40 40 GLY HA3 H 40 4.077 3.986 0.091 1
1 391 . 15 1 1 A 40 40 GLY C C 40 171.716 174.228 -2.512 1
1 392 . 15 1 1 A 40 40 GLY CA C 40 44.659 44.869 -0.210 1
1 393 . 15 1 1 A 40 40 GLY N N 40 110.604 115.042 -4.438 1
1 394 . 15 1 1 A 41 41 PRO HA H 41 4.486 4.310 0.176 1
1 401 . 15 1 1 A 41 41 PRO C C 41 177.364 178.767 -1.403 1
1 402 . 15 1 1 A 41 41 PRO CA C 41 63.199 65.149 -1.950 1
1 403 . 15 1 1 A 41 41 PRO CB C 41 32.225 31.993 0.232 1
1 406 . 15 1 1 A 42 42 SER H H 42 8.534 8.316 0.218 1
1 407 . 15 1 1 A 42 42 SER C C 42 174.655 175.183 -0.528 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 4.049 4.307 -0.258 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.049 4.307 -0.258 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.520 172.493 2.027 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.474 45.325 0.149 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.150 8.603 -0.453 1
1 6 . 16 1 1 A 8 8 THR HA H 8 4.390 4.517 -0.127 1
1 11 . 16 1 1 A 8 8 THR C C 8 175.239 174.047 1.192 1
1 12 . 16 1 1 A 8 8 THR CA C 8 61.894 62.464 -0.570 1
1 13 . 16 1 1 A 8 8 THR CB C 8 69.895 69.213 0.682 1
1 15 . 16 1 1 A 8 8 THR N N 8 112.793 118.194 -5.401 1
1 16 . 16 1 1 A 9 9 GLY H H 9 8.460 8.671 -0.211 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 3.935 4.364 -0.429 1
1 18 . 16 1 1 A 9 9 GLY HA3 H 9 3.935 4.364 -0.429 1
1 19 . 16 1 1 A 9 9 GLY C C 9 174.058 172.284 1.774 1
1 20 . 16 1 1 A 9 9 GLY CA C 9 45.284 44.846 0.438 1
1 21 . 16 1 1 A 9 9 GLY N N 9 110.999 114.378 -3.379 1
1 22 . 16 1 1 A 10 10 GLU H H 10 8.232 9.060 -0.828 1
1 23 . 16 1 1 A 10 10 GLU HA H 10 4.221 5.253 -1.032 1
1 28 . 16 1 1 A 10 10 GLU C C 10 176.320 174.860 1.460 1
1 29 . 16 1 1 A 10 10 GLU CA C 10 56.807 54.678 2.129 1
1 30 . 16 1 1 A 10 10 GLU CB C 10 30.485 33.375 -2.890 1
1 32 . 16 1 1 A 10 10 GLU N N 10 120.268 120.992 -0.724 1
1 33 . 16 1 1 A 11 11 LYS H H 11 8.293 8.103 0.190 1
1 34 . 16 1 1 A 11 11 LYS HA H 11 4.511 4.826 -0.315 1
1 43 . 16 1 1 A 11 11 LYS C C 11 173.935 176.046 -2.111 1
1 44 . 16 1 1 A 11 11 LYS CA C 11 53.941 52.966 0.975 1
1 45 . 16 1 1 A 11 11 LYS CB C 11 32.968 34.802 -1.834 1
1 49 . 16 1 1 A 11 11 LYS N N 11 121.633 121.422 0.211 1
1 50 . 16 1 1 A 12 12 PRO HA H 12 4.311 4.311 0.000 1
1 57 . 16 1 1 A 12 12 PRO C C 12 176.347 175.624 0.723 1
1 58 . 16 1 1 A 12 12 PRO CA C 12 63.422 63.814 -0.392 1
1 59 . 16 1 1 A 12 12 PRO CB C 12 32.261 31.207 1.054 1
1 62 . 16 1 1 A 13 13 TYR H H 13 8.065 7.316 0.749 1
1 63 . 16 1 1 A 13 13 TYR HA H 13 4.593 5.375 -0.782 1
1 70 . 16 1 1 A 13 13 TYR C C 13 174.711 175.022 -0.311 1
1 71 . 16 1 1 A 13 13 TYR CA C 13 57.524 56.832 0.692 1
1 72 . 16 1 1 A 13 13 TYR CB C 13 38.493 41.237 -2.744 1
1 77 . 16 1 1 A 13 13 TYR N N 13 118.480 118.475 0.005 1
1 78 . 16 1 1 A 14 14 GLU H H 14 8.555 8.662 -0.107 1
1 79 . 16 1 1 A 14 14 GLU HA H 14 4.830 5.291 -0.461 1
1 84 . 16 1 1 A 14 14 GLU C C 14 175.283 175.154 0.129 1
1 85 . 16 1 1 A 14 14 GLU CA C 14 55.294 54.951 0.343 1
1 86 . 16 1 1 A 14 14 GLU CB C 14 32.651 33.709 -1.058 1
1 88 . 16 1 1 A 14 14 GLU N N 14 124.223 122.235 1.988 1
1 89 . 16 1 1 A 15 15 CYS H H 15 9.054 9.261 -0.207 1
1 90 . 16 1 1 A 15 15 CYS HA H 15 4.519 4.653 -0.134 1
1 93 . 16 1 1 A 15 15 CYS C C 15 176.371 174.439 1.932 1
1 94 . 16 1 1 A 15 15 CYS CA C 15 59.775 59.022 0.753 1
1 95 . 16 1 1 A 15 15 CYS CB C 15 29.834 29.067 0.767 1
1 96 . 16 1 1 A 15 15 CYS N N 15 126.124 123.502 2.622 1
1 97 . 16 1 1 A 16 16 ASN H H 16 9.145 9.022 0.123 1
1 98 . 16 1 1 A 16 16 ASN HA H 16 4.664 4.879 -0.215 1
1 103 . 16 1 1 A 16 16 ASN C C 16 175.434 177.445 -2.011 1
1 104 . 16 1 1 A 16 16 ASN CA C 16 55.450 54.646 0.804 1
1 105 . 16 1 1 A 16 16 ASN CB C 16 38.367 40.468 -2.101 1
1 106 . 16 1 1 A 16 16 ASN N N 16 128.375 122.952 5.423 1
1 108 . 16 1 1 A 17 17 GLU H H 17 8.940 8.365 0.575 1
1 109 . 16 1 1 A 17 17 GLU HA H 17 4.309 4.001 0.308 1
1 114 . 16 1 1 A 17 17 GLU C C 17 176.943 178.414 -1.471 1
1 115 . 16 1 1 A 17 17 GLU CA C 17 58.075 58.826 -0.751 1
1 116 . 16 1 1 A 17 17 GLU CB C 17 30.005 29.695 0.310 1
1 118 . 16 1 1 A 17 17 GLU N N 17 121.278 118.405 2.873 1
1 119 . 16 1 1 A 18 18 CYS H H 18 7.884 7.703 0.181 1
1 120 . 16 1 1 A 18 18 CYS HA H 18 5.030 4.508 0.522 1
1 123 . 16 1 1 A 18 18 CYS C C 18 174.784 174.766 0.018 1
1 124 . 16 1 1 A 18 18 CYS CA C 18 58.712 59.471 -0.759 1
1 125 . 16 1 1 A 18 18 CYS CB C 18 31.646 29.091 2.555 1
1 126 . 16 1 1 A 18 18 CYS N N 18 116.336 115.686 0.650 1
1 127 . 16 1 1 A 19 19 GLN H H 19 8.117 7.967 0.150 1
1 128 . 16 1 1 A 19 19 GLN HA H 19 4.176 4.178 -0.002 1
1 135 . 16 1 1 A 19 19 GLN C C 19 175.071 173.861 1.210 1
1 136 . 16 1 1 A 19 19 GLN CA C 19 58.561 56.888 1.673 1
1 137 . 16 1 1 A 19 19 GLN CB C 19 26.375 26.146 0.229 1
1 139 . 16 1 1 A 19 19 GLN N N 19 116.253 116.612 -0.359 1
1 141 . 16 1 1 A 20 20 LYS H H 20 7.920 7.383 0.537 1
1 142 . 16 1 1 A 20 20 LYS HA H 20 4.106 4.752 -0.646 1
1 151 . 16 1 1 A 20 20 LYS C C 20 173.942 176.170 -2.228 1
1 152 . 16 1 1 A 20 20 LYS CA C 20 57.784 55.371 2.413 1
1 153 . 16 1 1 A 20 20 LYS CB C 20 34.257 34.436 -0.179 1
1 157 . 16 1 1 A 20 20 LYS N N 20 121.537 119.320 2.217 1
1 158 . 16 1 1 A 21 21 ALA H H 21 7.796 8.638 -0.842 1
1 159 . 16 1 1 A 21 21 ALA HA H 21 5.070 5.194 -0.124 1
1 163 . 16 1 1 A 21 21 ALA C C 21 176.123 177.136 -1.013 1
1 164 . 16 1 1 A 21 21 ALA CA C 21 50.530 51.983 -1.453 1
1 165 . 16 1 1 A 21 21 ALA CB C 21 22.271 20.127 2.144 1
1 166 . 16 1 1 A 21 21 ALA N N 21 123.395 127.869 -4.474 1
1 167 . 16 1 1 A 22 22 PHE H H 22 8.662 8.656 0.006 1
1 168 . 16 1 1 A 22 22 PHE HA H 22 4.679 4.913 -0.234 1
1 176 . 16 1 1 A 22 22 PHE C C 22 175.069 176.152 -1.083 1
1 177 . 16 1 1 A 22 22 PHE CA C 22 57.458 57.065 0.393 1
1 178 . 16 1 1 A 22 22 PHE CB C 22 44.024 43.855 0.169 1
1 184 . 16 1 1 A 22 22 PHE N N 22 116.451 118.000 -1.549 1
1 185 . 16 1 1 A 23 23 ASN HA H 23 4.887 4.753 0.134 1
1 190 . 16 1 1 A 23 23 ASN C C 23 175.404 175.594 -0.190 1
1 191 . 16 1 1 A 23 23 ASN CA C 23 55.197 55.407 -0.210 1
1 192 . 16 1 1 A 23 23 ASN CB C 23 39.066 38.737 0.329 1
1 194 . 16 1 1 A 24 24 THR H H 24 7.425 7.665 -0.240 1
1 195 . 16 1 1 A 24 24 THR HA H 24 4.766 4.348 0.418 1
1 200 . 16 1 1 A 24 24 THR C C 24 173.616 174.515 -0.899 1
1 201 . 16 1 1 A 24 24 THR CA C 24 58.695 58.925 -0.230 1
1 202 . 16 1 1 A 24 24 THR CB C 24 72.730 71.895 0.835 1
1 204 . 16 1 1 A 24 24 THR N N 24 106.491 109.748 -3.257 1
1 205 . 16 1 1 A 25 25 LYS H H 25 8.323 8.285 0.038 1
1 206 . 16 1 1 A 25 25 LYS HA H 25 3.194 3.417 -0.223 1
1 215 . 16 1 1 A 25 25 LYS C C 25 178.784 177.919 0.865 1
1 216 . 16 1 1 A 25 25 LYS CA C 25 58.821 59.307 -0.486 1
1 217 . 16 1 1 A 25 25 LYS CB C 25 31.835 32.142 -0.307 1
1 221 . 16 1 1 A 25 25 LYS N N 25 124.117 122.675 1.442 1
1 222 . 16 1 1 A 26 26 SER H H 26 8.351 8.266 0.085 1
1 223 . 16 1 1 A 26 26 SER HA H 26 4.066 4.162 -0.096 1
1 226 . 16 1 1 A 26 26 SER C C 26 176.574 176.709 -0.135 1
1 227 . 16 1 1 A 26 26 SER CA C 26 61.540 61.264 0.276 1
1 228 . 16 1 1 A 26 26 SER CB C 26 62.205 62.537 -0.332 1
1 229 . 16 1 1 A 26 26 SER N N 26 113.534 115.532 -1.998 1
1 230 . 16 1 1 A 27 27 ASN H H 27 7.720 7.890 -0.170 1
1 231 . 16 1 1 A 27 27 ASN HA H 27 4.461 4.466 -0.005 1
1 236 . 16 1 1 A 27 27 ASN C C 27 178.233 177.246 0.987 1
1 237 . 16 1 1 A 27 27 ASN CA C 27 55.387 55.903 -0.516 1
1 238 . 16 1 1 A 27 27 ASN CB C 27 37.652 38.560 -0.908 1
1 239 . 16 1 1 A 27 27 ASN N N 27 119.042 120.009 -0.967 1
1 241 . 16 1 1 A 28 28 LEU H H 28 7.445 7.606 -0.161 1
1 242 . 16 1 1 A 28 28 LEU HA H 28 3.276 3.217 0.059 1
1 252 . 16 1 1 A 28 28 LEU C C 28 177.423 178.042 -0.619 1
1 253 . 16 1 1 A 28 28 LEU CA C 28 58.231 57.035 1.196 1
1 254 . 16 1 1 A 28 28 LEU CB C 28 40.386 41.401 -1.015 1
1 258 . 16 1 1 A 28 28 LEU N N 28 122.869 119.801 3.068 1
1 259 . 16 1 1 A 29 29 MET H H 29 8.332 8.344 -0.012 1
1 260 . 16 1 1 A 29 29 MET HA H 29 4.187 4.124 0.063 1
1 268 . 16 1 1 A 29 29 MET C C 29 179.451 178.616 0.835 1
1 269 . 16 1 1 A 29 29 MET CA C 29 59.047 58.485 0.562 1
1 270 . 16 1 1 A 29 29 MET CB C 29 32.224 32.033 0.191 1
1 273 . 16 1 1 A 29 29 MET N N 29 118.924 117.846 1.078 1
1 274 . 16 1 1 A 30 30 VAL H H 30 7.797 7.773 0.024 1
1 275 . 16 1 1 A 30 30 VAL HA H 30 3.523 3.579 -0.056 1
1 283 . 16 1 1 A 30 30 VAL C C 30 179.004 178.154 0.850 1
1 284 . 16 1 1 A 30 30 VAL CA C 30 66.614 66.130 0.484 1
1 285 . 16 1 1 A 30 30 VAL CB C 30 32.139 31.759 0.380 1
1 288 . 16 1 1 A 30 30 VAL N N 30 119.346 120.701 -1.355 1
1 289 . 16 1 1 A 31 31 HIS H H 31 7.373 7.868 -0.495 1
1 290 . 16 1 1 A 31 31 HIS HA H 31 4.217 4.098 0.119 1
1 295 . 16 1 1 A 31 31 HIS C C 31 178.166 176.536 1.630 1
1 296 . 16 1 1 A 31 31 HIS CA C 31 59.194 59.908 -0.714 1
1 297 . 16 1 1 A 31 31 HIS CB C 31 28.095 29.645 -1.550 1
1 300 . 16 1 1 A 31 31 HIS N N 31 119.317 119.767 -0.450 1
1 301 . 16 1 1 A 32 32 GLN H H 32 8.912 8.665 0.247 1
1 302 . 16 1 1 A 32 32 GLN HA H 32 3.660 3.839 -0.179 1
1 309 . 16 1 1 A 32 32 GLN C C 32 177.784 178.714 -0.930 1
1 310 . 16 1 1 A 32 32 GLN CA C 32 59.952 59.372 0.580 1
1 311 . 16 1 1 A 32 32 GLN CB C 32 28.263 28.246 0.017 1
1 313 . 16 1 1 A 32 32 GLN N N 32 120.179 117.344 2.835 1
1 315 . 16 1 1 A 33 33 ARG H H 33 7.262 8.048 -0.786 1
1 316 . 16 1 1 A 33 33 ARG HA H 33 4.208 3.960 0.248 1
1 323 . 16 1 1 A 33 33 ARG C C 33 178.239 178.295 -0.056 1
1 324 . 16 1 1 A 33 33 ARG CA C 33 58.523 59.284 -0.761 1
1 325 . 16 1 1 A 33 33 ARG CB C 33 29.988 29.900 0.088 1
1 328 . 16 1 1 A 33 33 ARG N N 33 117.576 119.615 -2.039 1
1 329 . 16 1 1 A 34 34 THR H H 34 7.797 8.072 -0.275 1
1 330 . 16 1 1 A 34 34 THR HA H 34 4.142 3.997 0.145 1
1 335 . 16 1 1 A 34 34 THR C C 34 175.641 176.951 -1.310 1
1 336 . 16 1 1 A 34 34 THR CA C 34 63.920 65.453 -1.533 1
1 337 . 16 1 1 A 34 34 THR CB C 34 69.413 67.947 1.466 1
1 339 . 16 1 1 A 34 34 THR N N 34 109.658 112.717 -3.059 1
1 340 . 16 1 1 A 35 35 HIS H H 35 7.215 7.516 -0.301 1
1 341 . 16 1 1 A 35 35 HIS HA H 35 4.852 4.334 0.518 1
1 346 . 16 1 1 A 35 35 HIS C C 35 175.704 175.911 -0.207 1
1 347 . 16 1 1 A 35 35 HIS CA C 35 55.632 58.765 -3.133 1
1 348 . 16 1 1 A 35 35 HIS CB C 35 28.783 29.624 -0.841 1
1 351 . 16 1 1 A 35 35 HIS N N 35 118.639 119.410 -0.771 1
1 352 . 16 1 1 A 36 36 THR H H 36 7.818 7.550 0.268 1
1 353 . 16 1 1 A 36 36 THR HA H 36 4.397 4.312 0.085 1
1 358 . 16 1 1 A 36 36 THR C C 36 175.429 174.339 1.090 1
1 359 . 16 1 1 A 36 36 THR CA C 36 62.294 61.872 0.422 1
1 360 . 16 1 1 A 36 36 THR CB C 36 69.885 69.470 0.415 1
1 362 . 16 1 1 A 36 36 THR N N 36 111.712 110.014 1.698 1
1 363 . 16 1 1 A 37 37 GLY H H 37 8.273 8.527 -0.254 1
1 364 . 16 1 1 A 37 37 GLY HA2 H 37 4.055 4.035 0.020 1
1 365 . 16 1 1 A 37 37 GLY HA3 H 37 3.985 4.036 -0.051 1
1 366 . 16 1 1 A 37 37 GLY C C 37 174.325 173.670 0.655 1
1 367 . 16 1 1 A 37 37 GLY CA C 37 45.477 46.105 -0.628 1
1 368 . 16 1 1 A 37 37 GLY N N 37 110.839 109.648 1.191 1
1 369 . 16 1 1 A 38 38 GLU H H 38 8.210 8.298 -0.088 1
1 370 . 16 1 1 A 38 38 GLU HA H 38 4.330 4.491 -0.161 1
1 375 . 16 1 1 A 38 38 GLU C C 38 176.563 175.234 1.329 1
1 376 . 16 1 1 A 38 38 GLU CA C 38 56.675 55.464 1.211 1
1 377 . 16 1 1 A 38 38 GLU CB C 38 30.528 29.131 1.397 1
1 379 . 16 1 1 A 38 38 GLU N N 38 120.721 120.907 -0.186 1
1 380 . 16 1 1 A 39 39 SER H H 39 8.419 8.655 -0.236 1
1 381 . 16 1 1 A 39 39 SER HA H 39 4.499 4.769 -0.270 1
1 384 . 16 1 1 A 39 39 SER C C 39 174.576 174.365 0.211 1
1 385 . 16 1 1 A 39 39 SER CA C 39 58.389 56.849 1.540 1
1 386 . 16 1 1 A 39 39 SER CB C 39 64.005 64.191 -0.186 1
1 387 . 16 1 1 A 39 39 SER N N 39 116.775 122.944 -6.169 1
1 388 . 16 1 1 A 40 40 GLY H H 40 8.241 8.695 -0.454 1
1 389 . 16 1 1 A 40 40 GLY HA2 H 40 4.166 4.077 0.089 1
1 390 . 16 1 1 A 40 40 GLY HA3 H 40 4.077 4.077 0.000 1
1 391 . 16 1 1 A 40 40 GLY C C 40 171.716 174.072 -2.356 1
1 392 . 16 1 1 A 40 40 GLY CA C 40 44.659 44.226 0.433 1
1 393 . 16 1 1 A 40 40 GLY N N 40 110.604 115.243 -4.639 1
1 394 . 16 1 1 A 41 41 PRO HA H 41 4.486 4.548 -0.062 1
1 401 . 16 1 1 A 41 41 PRO C C 41 177.364 176.263 1.101 1
1 402 . 16 1 1 A 41 41 PRO CA C 41 63.199 63.716 -0.517 1
1 403 . 16 1 1 A 41 41 PRO CB C 41 32.225 31.879 0.346 1
1 406 . 16 1 1 A 42 42 SER H H 42 8.534 7.812 0.722 1
1 407 . 16 1 1 A 42 42 SER C C 42 174.655 173.665 0.990 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 4.049 4.068 -0.019 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.049 4.069 -0.020 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.520 173.757 0.763 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.474 45.642 -0.168 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.150 7.658 0.492 1
1 6 . 17 1 1 A 8 8 THR HA H 8 4.390 4.790 -0.400 1
1 11 . 17 1 1 A 8 8 THR C C 8 175.239 174.306 0.933 1
1 12 . 17 1 1 A 8 8 THR CA C 8 61.894 59.722 2.172 1
1 13 . 17 1 1 A 8 8 THR CB C 8 69.895 71.786 -1.891 1
1 15 . 17 1 1 A 8 8 THR N N 8 112.793 109.797 2.996 1
1 16 . 17 1 1 A 9 9 GLY H H 9 8.460 8.183 0.277 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 3.935 4.100 -0.165 1
1 18 . 17 1 1 A 9 9 GLY HA3 H 9 3.935 4.102 -0.167 1
1 19 . 17 1 1 A 9 9 GLY C C 9 174.058 174.605 -0.547 1
1 20 . 17 1 1 A 9 9 GLY CA C 9 45.284 45.752 -0.468 1
1 21 . 17 1 1 A 9 9 GLY N N 9 110.999 109.662 1.337 1
1 22 . 17 1 1 A 10 10 GLU H H 10 8.232 7.957 0.275 1
1 23 . 17 1 1 A 10 10 GLU HA H 10 4.221 3.843 0.378 1
1 28 . 17 1 1 A 10 10 GLU C C 10 176.320 175.817 0.503 1
1 29 . 17 1 1 A 10 10 GLU CA C 10 56.807 57.390 -0.583 1
1 30 . 17 1 1 A 10 10 GLU CB C 10 30.485 27.118 3.367 1
1 32 . 17 1 1 A 10 10 GLU N N 10 120.268 115.157 5.111 1
1 33 . 17 1 1 A 11 11 LYS H H 11 8.293 7.991 0.302 1
1 34 . 17 1 1 A 11 11 LYS HA H 11 4.511 4.353 0.158 1
1 43 . 17 1 1 A 11 11 LYS C C 11 173.935 176.503 -2.568 1
1 44 . 17 1 1 A 11 11 LYS CA C 11 53.941 54.952 -1.011 1
1 45 . 17 1 1 A 11 11 LYS CB C 11 32.968 31.932 1.036 1
1 49 . 17 1 1 A 11 11 LYS N N 11 121.633 119.933 1.700 1
1 50 . 17 1 1 A 12 12 PRO HA H 12 4.311 4.330 -0.019 1
1 57 . 17 1 1 A 12 12 PRO C C 12 176.347 175.472 0.875 1
1 58 . 17 1 1 A 12 12 PRO CA C 12 63.422 63.971 -0.549 1
1 59 . 17 1 1 A 12 12 PRO CB C 12 32.261 31.168 1.093 1
1 62 . 17 1 1 A 13 13 TYR H H 13 8.065 7.431 0.634 1
1 63 . 17 1 1 A 13 13 TYR HA H 13 4.593 5.338 -0.745 1
1 70 . 17 1 1 A 13 13 TYR C C 13 174.711 175.082 -0.371 1
1 71 . 17 1 1 A 13 13 TYR CA C 13 57.524 56.952 0.572 1
1 72 . 17 1 1 A 13 13 TYR CB C 13 38.493 41.912 -3.419 1
1 77 . 17 1 1 A 13 13 TYR N N 13 118.480 118.998 -0.518 1
1 78 . 17 1 1 A 14 14 GLU H H 14 8.555 8.707 -0.152 1
1 79 . 17 1 1 A 14 14 GLU HA H 14 4.830 5.406 -0.576 1
1 84 . 17 1 1 A 14 14 GLU C C 14 175.283 175.194 0.089 1
1 85 . 17 1 1 A 14 14 GLU CA C 14 55.294 54.888 0.406 1
1 86 . 17 1 1 A 14 14 GLU CB C 14 32.651 33.731 -1.080 1
1 88 . 17 1 1 A 14 14 GLU N N 14 124.223 121.685 2.538 1
1 89 . 17 1 1 A 15 15 CYS H H 15 9.054 9.619 -0.565 1
1 90 . 17 1 1 A 15 15 CYS HA H 15 4.519 4.654 -0.135 1
1 93 . 17 1 1 A 15 15 CYS C C 15 176.371 174.658 1.713 1
1 94 . 17 1 1 A 15 15 CYS CA C 15 59.775 59.110 0.665 1
1 95 . 17 1 1 A 15 15 CYS CB C 15 29.834 29.054 0.780 1
1 96 . 17 1 1 A 15 15 CYS N N 15 126.124 123.679 2.445 1
1 97 . 17 1 1 A 16 16 ASN H H 16 9.145 8.943 0.202 1
1 98 . 17 1 1 A 16 16 ASN HA H 16 4.664 4.994 -0.330 1
1 103 . 17 1 1 A 16 16 ASN C C 16 175.434 176.470 -1.036 1
1 104 . 17 1 1 A 16 16 ASN CA C 16 55.450 54.260 1.190 1
1 105 . 17 1 1 A 16 16 ASN CB C 16 38.367 40.128 -1.761 1
1 106 . 17 1 1 A 16 16 ASN N N 16 128.375 122.302 6.073 1
1 108 . 17 1 1 A 17 17 GLU H H 17 8.940 8.414 0.526 1
1 109 . 17 1 1 A 17 17 GLU HA H 17 4.309 4.082 0.227 1
1 114 . 17 1 1 A 17 17 GLU C C 17 176.943 178.214 -1.271 1
1 115 . 17 1 1 A 17 17 GLU CA C 17 58.075 58.888 -0.813 1
1 116 . 17 1 1 A 17 17 GLU CB C 17 30.005 30.008 -0.003 1
1 118 . 17 1 1 A 17 17 GLU N N 17 121.278 119.442 1.836 1
1 119 . 17 1 1 A 18 18 CYS H H 18 7.884 7.958 -0.074 1
1 120 . 17 1 1 A 18 18 CYS HA H 18 5.030 4.510 0.520 1
1 123 . 17 1 1 A 18 18 CYS C C 18 174.784 174.417 0.367 1
1 124 . 17 1 1 A 18 18 CYS CA C 18 58.712 59.088 -0.376 1
1 125 . 17 1 1 A 18 18 CYS CB C 18 31.646 28.625 3.021 1
1 126 . 17 1 1 A 18 18 CYS N N 18 116.336 115.495 0.841 1
1 127 . 17 1 1 A 19 19 GLN H H 19 8.117 7.981 0.136 1
1 128 . 17 1 1 A 19 19 GLN HA H 19 4.176 4.199 -0.023 1
1 135 . 17 1 1 A 19 19 GLN C C 19 175.071 174.168 0.903 1
1 136 . 17 1 1 A 19 19 GLN CA C 19 58.561 56.963 1.598 1
1 137 . 17 1 1 A 19 19 GLN CB C 19 26.375 26.302 0.073 1
1 139 . 17 1 1 A 19 19 GLN N N 19 116.253 116.447 -0.194 1
1 141 . 17 1 1 A 20 20 LYS H H 20 7.920 7.478 0.442 1
1 142 . 17 1 1 A 20 20 LYS HA H 20 4.106 4.601 -0.495 1
1 151 . 17 1 1 A 20 20 LYS C C 20 173.942 175.957 -2.015 1
1 152 . 17 1 1 A 20 20 LYS CA C 20 57.784 56.106 1.678 1
1 153 . 17 1 1 A 20 20 LYS CB C 20 34.257 33.766 0.491 1
1 157 . 17 1 1 A 20 20 LYS N N 20 121.537 119.868 1.669 1
1 158 . 17 1 1 A 21 21 ALA H H 21 7.796 8.391 -0.595 1
1 159 . 17 1 1 A 21 21 ALA HA H 21 5.070 5.097 -0.027 1
1 163 . 17 1 1 A 21 21 ALA C C 21 176.123 177.101 -0.978 1
1 164 . 17 1 1 A 21 21 ALA CA C 21 50.530 52.029 -1.499 1
1 165 . 17 1 1 A 21 21 ALA CB C 21 22.271 20.080 2.191 1
1 166 . 17 1 1 A 21 21 ALA N N 21 123.395 127.246 -3.851 1
1 167 . 17 1 1 A 22 22 PHE H H 22 8.662 8.789 -0.127 1
1 168 . 17 1 1 A 22 22 PHE HA H 22 4.679 4.948 -0.269 1
1 176 . 17 1 1 A 22 22 PHE C C 22 175.069 175.589 -0.520 1
1 177 . 17 1 1 A 22 22 PHE CA C 22 57.458 56.880 0.578 1
1 178 . 17 1 1 A 22 22 PHE CB C 22 44.024 43.857 0.167 1
1 184 . 17 1 1 A 22 22 PHE N N 22 116.451 117.794 -1.343 1
1 185 . 17 1 1 A 23 23 ASN HA H 23 4.887 4.767 0.120 1
1 190 . 17 1 1 A 23 23 ASN C C 23 175.404 175.533 -0.129 1
1 191 . 17 1 1 A 23 23 ASN CA C 23 55.197 55.145 0.052 1
1 192 . 17 1 1 A 23 23 ASN CB C 23 39.066 38.772 0.294 1
1 194 . 17 1 1 A 24 24 THR H H 24 7.425 7.679 -0.254 1
1 195 . 17 1 1 A 24 24 THR HA H 24 4.766 4.446 0.320 1
1 200 . 17 1 1 A 24 24 THR C C 24 173.616 174.511 -0.895 1
1 201 . 17 1 1 A 24 24 THR CA C 24 58.695 58.994 -0.299 1
1 202 . 17 1 1 A 24 24 THR CB C 24 72.730 71.668 1.062 1
1 204 . 17 1 1 A 24 24 THR N N 24 106.491 109.855 -3.364 1
1 205 . 17 1 1 A 25 25 LYS H H 25 8.323 8.301 0.022 1
1 206 . 17 1 1 A 25 25 LYS HA H 25 3.194 3.395 -0.201 1
1 215 . 17 1 1 A 25 25 LYS C C 25 178.784 177.682 1.102 1
1 216 . 17 1 1 A 25 25 LYS CA C 25 58.821 59.071 -0.250 1
1 217 . 17 1 1 A 25 25 LYS CB C 25 31.835 32.164 -0.329 1
1 221 . 17 1 1 A 25 25 LYS N N 25 124.117 122.629 1.488 1
1 222 . 17 1 1 A 26 26 SER H H 26 8.351 7.840 0.511 1
1 223 . 17 1 1 A 26 26 SER HA H 26 4.066 4.017 0.049 1
1 226 . 17 1 1 A 26 26 SER C C 26 176.574 177.082 -0.508 1
1 227 . 17 1 1 A 26 26 SER CA C 26 61.540 61.655 -0.115 1
1 228 . 17 1 1 A 26 26 SER CB C 26 62.205 63.018 -0.813 1
1 229 . 17 1 1 A 26 26 SER N N 26 113.534 114.091 -0.557 1
1 230 . 17 1 1 A 27 27 ASN H H 27 7.720 7.588 0.132 1
1 231 . 17 1 1 A 27 27 ASN HA H 27 4.461 4.482 -0.021 1
1 236 . 17 1 1 A 27 27 ASN C C 27 178.233 177.706 0.527 1
1 237 . 17 1 1 A 27 27 ASN CA C 27 55.387 56.315 -0.928 1
1 238 . 17 1 1 A 27 27 ASN CB C 27 37.652 38.366 -0.714 1
1 239 . 17 1 1 A 27 27 ASN N N 27 119.042 119.975 -0.933 1
1 241 . 17 1 1 A 28 28 LEU H H 28 7.445 7.314 0.131 1
1 242 . 17 1 1 A 28 28 LEU HA H 28 3.276 3.045 0.231 1
1 252 . 17 1 1 A 28 28 LEU C C 28 177.423 178.369 -0.946 1
1 253 . 17 1 1 A 28 28 LEU CA C 28 58.231 57.598 0.633 1
1 254 . 17 1 1 A 28 28 LEU CB C 28 40.386 41.030 -0.644 1
1 258 . 17 1 1 A 28 28 LEU N N 28 122.869 120.713 2.156 1
1 259 . 17 1 1 A 29 29 MET H H 29 8.332 8.464 -0.132 1
1 260 . 17 1 1 A 29 29 MET HA H 29 4.187 3.990 0.197 1
1 268 . 17 1 1 A 29 29 MET C C 29 179.451 178.552 0.899 1
1 269 . 17 1 1 A 29 29 MET CA C 29 59.047 58.693 0.354 1
1 270 . 17 1 1 A 29 29 MET CB C 29 32.224 32.278 -0.054 1
1 273 . 17 1 1 A 29 29 MET N N 29 118.924 117.412 1.512 1
1 274 . 17 1 1 A 30 30 VAL H H 30 7.797 7.914 -0.117 1
1 275 . 17 1 1 A 30 30 VAL HA H 30 3.523 3.565 -0.042 1
1 283 . 17 1 1 A 30 30 VAL C C 30 179.004 178.402 0.602 1
1 284 . 17 1 1 A 30 30 VAL CA C 30 66.614 66.363 0.251 1
1 285 . 17 1 1 A 30 30 VAL CB C 30 32.139 31.462 0.677 1
1 288 . 17 1 1 A 30 30 VAL N N 30 119.346 119.704 -0.358 1
1 289 . 17 1 1 A 31 31 HIS H H 31 7.373 8.129 -0.756 1
1 290 . 17 1 1 A 31 31 HIS HA H 31 4.217 4.070 0.147 1
1 295 . 17 1 1 A 31 31 HIS C C 31 178.166 176.479 1.687 1
1 296 . 17 1 1 A 31 31 HIS CA C 31 59.194 59.768 -0.574 1
1 297 . 17 1 1 A 31 31 HIS CB C 31 28.095 29.900 -1.805 1
1 300 . 17 1 1 A 31 31 HIS N N 31 119.317 119.637 -0.320 1
1 301 . 17 1 1 A 32 32 GLN H H 32 8.912 8.477 0.435 1
1 302 . 17 1 1 A 32 32 GLN HA H 32 3.660 3.821 -0.161 1
1 309 . 17 1 1 A 32 32 GLN C C 32 177.784 178.540 -0.756 1
1 310 . 17 1 1 A 32 32 GLN CA C 32 59.952 59.291 0.661 1
1 311 . 17 1 1 A 32 32 GLN CB C 32 28.263 28.314 -0.051 1
1 313 . 17 1 1 A 32 32 GLN N N 32 120.179 116.942 3.237 1
1 315 . 17 1 1 A 33 33 ARG H H 33 7.262 7.904 -0.642 1
1 316 . 17 1 1 A 33 33 ARG HA H 33 4.208 3.968 0.240 1
1 323 . 17 1 1 A 33 33 ARG C C 33 178.239 178.630 -0.391 1
1 324 . 17 1 1 A 33 33 ARG CA C 33 58.523 59.441 -0.918 1
1 325 . 17 1 1 A 33 33 ARG CB C 33 29.988 29.966 0.022 1
1 328 . 17 1 1 A 33 33 ARG N N 33 117.576 119.669 -2.093 1
1 329 . 17 1 1 A 34 34 THR H H 34 7.797 8.205 -0.408 1
1 330 . 17 1 1 A 34 34 THR HA H 34 4.142 4.082 0.060 1
1 335 . 17 1 1 A 34 34 THR C C 34 175.641 176.794 -1.153 1
1 336 . 17 1 1 A 34 34 THR CA C 34 63.920 65.542 -1.622 1
1 337 . 17 1 1 A 34 34 THR CB C 34 69.413 68.134 1.279 1
1 339 . 17 1 1 A 34 34 THR N N 34 109.658 112.739 -3.081 1
1 340 . 17 1 1 A 35 35 HIS H H 35 7.215 7.450 -0.235 1
1 341 . 17 1 1 A 35 35 HIS HA H 35 4.852 4.328 0.524 1
1 346 . 17 1 1 A 35 35 HIS C C 35 175.704 176.089 -0.385 1
1 347 . 17 1 1 A 35 35 HIS CA C 35 55.632 59.141 -3.509 1
1 348 . 17 1 1 A 35 35 HIS CB C 35 28.783 29.920 -1.137 1
1 351 . 17 1 1 A 35 35 HIS N N 35 118.639 119.338 -0.699 1
1 352 . 17 1 1 A 36 36 THR H H 36 7.818 7.804 0.014 1
1 353 . 17 1 1 A 36 36 THR HA H 36 4.397 4.121 0.276 1
1 358 . 17 1 1 A 36 36 THR C C 36 175.429 174.743 0.686 1
1 359 . 17 1 1 A 36 36 THR CA C 36 62.294 62.987 -0.693 1
1 360 . 17 1 1 A 36 36 THR CB C 36 69.885 68.059 1.826 1
1 362 . 17 1 1 A 36 36 THR N N 36 111.712 106.667 5.045 1
1 363 . 17 1 1 A 37 37 GLY H H 37 8.273 8.421 -0.148 1
1 364 . 17 1 1 A 37 37 GLY HA2 H 37 4.055 4.128 -0.073 1
1 365 . 17 1 1 A 37 37 GLY HA3 H 37 3.985 4.133 -0.148 1
1 366 . 17 1 1 A 37 37 GLY C C 37 174.325 173.821 0.504 1
1 367 . 17 1 1 A 37 37 GLY CA C 37 45.477 44.046 1.431 1
1 368 . 17 1 1 A 37 37 GLY N N 37 110.839 112.393 -1.554 1
1 369 . 17 1 1 A 38 38 GLU H H 38 8.210 8.489 -0.279 1
1 370 . 17 1 1 A 38 38 GLU HA H 38 4.330 4.253 0.077 1
1 375 . 17 1 1 A 38 38 GLU C C 38 176.563 176.447 0.116 1
1 376 . 17 1 1 A 38 38 GLU CA C 38 56.675 56.673 0.002 1
1 377 . 17 1 1 A 38 38 GLU CB C 38 30.528 30.266 0.262 1
1 379 . 17 1 1 A 38 38 GLU N N 38 120.721 120.386 0.335 1
1 380 . 17 1 1 A 39 39 SER H H 39 8.419 8.650 -0.231 1
1 381 . 17 1 1 A 39 39 SER HA H 39 4.499 4.381 0.118 1
1 384 . 17 1 1 A 39 39 SER C C 39 174.576 173.834 0.742 1
1 385 . 17 1 1 A 39 39 SER CA C 39 58.389 59.161 -0.772 1
1 386 . 17 1 1 A 39 39 SER CB C 39 64.005 62.732 1.273 1
1 387 . 17 1 1 A 39 39 SER N N 39 116.775 118.843 -2.068 1
1 388 . 17 1 1 A 40 40 GLY H H 40 8.241 8.067 0.174 1
1 389 . 17 1 1 A 40 40 GLY HA2 H 40 4.166 4.175 -0.009 1
1 390 . 17 1 1 A 40 40 GLY HA3 H 40 4.077 4.176 -0.099 1
1 391 . 17 1 1 A 40 40 GLY C C 40 171.716 173.815 -2.099 1
1 392 . 17 1 1 A 40 40 GLY CA C 40 44.659 45.561 -0.902 1
1 393 . 17 1 1 A 40 40 GLY N N 40 110.604 114.452 -3.848 1
1 394 . 17 1 1 A 41 41 PRO HA H 41 4.486 4.573 -0.087 1
1 401 . 17 1 1 A 41 41 PRO C C 41 177.364 176.342 1.022 1
1 402 . 17 1 1 A 41 41 PRO CA C 41 63.199 64.448 -1.249 1
1 403 . 17 1 1 A 41 41 PRO CB C 41 32.225 32.074 0.151 1
1 406 . 17 1 1 A 42 42 SER H H 42 8.534 7.695 0.839 1
1 407 . 17 1 1 A 42 42 SER C C 42 174.655 174.244 0.411 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 4.049 4.173 -0.124 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.049 4.173 -0.124 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.520 172.005 2.515 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.474 45.317 0.157 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.150 8.614 -0.464 1
1 6 . 18 1 1 A 8 8 THR HA H 8 4.390 4.809 -0.419 1
1 11 . 18 1 1 A 8 8 THR C C 8 175.239 175.368 -0.129 1
1 12 . 18 1 1 A 8 8 THR CA C 8 61.894 60.397 1.497 1
1 13 . 18 1 1 A 8 8 THR CB C 8 69.895 70.769 -0.874 1
1 15 . 18 1 1 A 8 8 THR N N 8 112.793 118.982 -6.189 1
1 16 . 18 1 1 A 9 9 GLY H H 9 8.460 8.556 -0.096 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 3.935 3.957 -0.022 1
1 18 . 18 1 1 A 9 9 GLY HA3 H 9 3.935 3.959 -0.024 1
1 19 . 18 1 1 A 9 9 GLY C C 9 174.058 174.933 -0.875 1
1 20 . 18 1 1 A 9 9 GLY CA C 9 45.284 45.238 0.046 1
1 21 . 18 1 1 A 9 9 GLY N N 9 110.999 116.756 -5.757 1
1 22 . 18 1 1 A 10 10 GLU H H 10 8.232 8.312 -0.080 1
1 23 . 18 1 1 A 10 10 GLU HA H 10 4.221 3.882 0.339 1
1 28 . 18 1 1 A 10 10 GLU C C 10 176.320 174.958 1.362 1
1 29 . 18 1 1 A 10 10 GLU CA C 10 56.807 57.523 -0.716 1
1 30 . 18 1 1 A 10 10 GLU CB C 10 30.485 27.383 3.102 1
1 32 . 18 1 1 A 10 10 GLU N N 10 120.268 116.413 3.855 1
1 33 . 18 1 1 A 11 11 LYS H H 11 8.293 8.067 0.226 1
1 34 . 18 1 1 A 11 11 LYS HA H 11 4.511 4.739 -0.228 1
1 43 . 18 1 1 A 11 11 LYS C C 11 173.935 176.313 -2.378 1
1 44 . 18 1 1 A 11 11 LYS CA C 11 53.941 53.417 0.524 1
1 45 . 18 1 1 A 11 11 LYS CB C 11 32.968 32.912 0.056 1
1 49 . 18 1 1 A 11 11 LYS N N 11 121.633 119.592 2.041 1
1 50 . 18 1 1 A 12 12 PRO HA H 12 4.311 4.380 -0.069 1
1 57 . 18 1 1 A 12 12 PRO C C 12 176.347 175.458 0.889 1
1 58 . 18 1 1 A 12 12 PRO CA C 12 63.422 63.923 -0.501 1
1 59 . 18 1 1 A 12 12 PRO CB C 12 32.261 31.238 1.023 1
1 62 . 18 1 1 A 13 13 TYR H H 13 8.065 7.496 0.569 1
1 63 . 18 1 1 A 13 13 TYR HA H 13 4.593 5.290 -0.697 1
1 70 . 18 1 1 A 13 13 TYR C C 13 174.711 174.857 -0.146 1
1 71 . 18 1 1 A 13 13 TYR CA C 13 57.524 57.100 0.424 1
1 72 . 18 1 1 A 13 13 TYR CB C 13 38.493 41.529 -3.036 1
1 77 . 18 1 1 A 13 13 TYR N N 13 118.480 119.042 -0.562 1
1 78 . 18 1 1 A 14 14 GLU H H 14 8.555 8.753 -0.198 1
1 79 . 18 1 1 A 14 14 GLU HA H 14 4.830 5.401 -0.571 1
1 84 . 18 1 1 A 14 14 GLU C C 14 175.283 175.075 0.208 1
1 85 . 18 1 1 A 14 14 GLU CA C 14 55.294 54.968 0.326 1
1 86 . 18 1 1 A 14 14 GLU CB C 14 32.651 34.018 -1.367 1
1 88 . 18 1 1 A 14 14 GLU N N 14 124.223 121.361 2.862 1
1 89 . 18 1 1 A 15 15 CYS H H 15 9.054 9.405 -0.351 1
1 90 . 18 1 1 A 15 15 CYS HA H 15 4.519 4.755 -0.236 1
1 93 . 18 1 1 A 15 15 CYS C C 15 176.371 174.637 1.734 1
1 94 . 18 1 1 A 15 15 CYS CA C 15 59.775 58.748 1.027 1
1 95 . 18 1 1 A 15 15 CYS CB C 15 29.834 29.557 0.277 1
1 96 . 18 1 1 A 15 15 CYS N N 15 126.124 123.230 2.894 1
1 97 . 18 1 1 A 16 16 ASN H H 16 9.145 8.928 0.217 1
1 98 . 18 1 1 A 16 16 ASN HA H 16 4.664 5.373 -0.709 1
1 103 . 18 1 1 A 16 16 ASN C C 16 175.434 176.753 -1.319 1
1 104 . 18 1 1 A 16 16 ASN CA C 16 55.450 54.241 1.209 1
1 105 . 18 1 1 A 16 16 ASN CB C 16 38.367 40.489 -2.122 1
1 106 . 18 1 1 A 16 16 ASN N N 16 128.375 121.956 6.419 1
1 108 . 18 1 1 A 17 17 GLU H H 17 8.940 8.410 0.530 1
1 109 . 18 1 1 A 17 17 GLU HA H 17 4.309 4.062 0.247 1
1 114 . 18 1 1 A 17 17 GLU C C 17 176.943 178.280 -1.337 1
1 115 . 18 1 1 A 17 17 GLU CA C 17 58.075 58.827 -0.752 1
1 116 . 18 1 1 A 17 17 GLU CB C 17 30.005 30.035 -0.030 1
1 118 . 18 1 1 A 17 17 GLU N N 17 121.278 118.956 2.322 1
1 119 . 18 1 1 A 18 18 CYS H H 18 7.884 7.766 0.118 1
1 120 . 18 1 1 A 18 18 CYS HA H 18 5.030 4.482 0.548 1
1 123 . 18 1 1 A 18 18 CYS C C 18 174.784 174.750 0.034 1
1 124 . 18 1 1 A 18 18 CYS CA C 18 58.712 59.271 -0.559 1
1 125 . 18 1 1 A 18 18 CYS CB C 18 31.646 29.096 2.550 1
1 126 . 18 1 1 A 18 18 CYS N N 18 116.336 115.445 0.891 1
1 127 . 18 1 1 A 19 19 GLN H H 19 8.117 7.971 0.146 1
1 128 . 18 1 1 A 19 19 GLN HA H 19 4.176 4.077 0.099 1
1 135 . 18 1 1 A 19 19 GLN C C 19 175.071 173.899 1.172 1
1 136 . 18 1 1 A 19 19 GLN CA C 19 58.561 57.057 1.504 1
1 137 . 18 1 1 A 19 19 GLN CB C 19 26.375 26.364 0.011 1
1 139 . 18 1 1 A 19 19 GLN N N 19 116.253 116.549 -0.296 1
1 141 . 18 1 1 A 20 20 LYS H H 20 7.920 7.483 0.437 1
1 142 . 18 1 1 A 20 20 LYS HA H 20 4.106 4.734 -0.628 1
1 151 . 18 1 1 A 20 20 LYS C C 20 173.942 176.046 -2.104 1
1 152 . 18 1 1 A 20 20 LYS CA C 20 57.784 55.859 1.925 1
1 153 . 18 1 1 A 20 20 LYS CB C 20 34.257 34.106 0.151 1
1 157 . 18 1 1 A 20 20 LYS N N 20 121.537 119.536 2.001 1
1 158 . 18 1 1 A 21 21 ALA H H 21 7.796 8.536 -0.740 1
1 159 . 18 1 1 A 21 21 ALA HA H 21 5.070 5.264 -0.194 1
1 163 . 18 1 1 A 21 21 ALA C C 21 176.123 176.806 -0.683 1
1 164 . 18 1 1 A 21 21 ALA CA C 21 50.530 51.765 -1.235 1
1 165 . 18 1 1 A 21 21 ALA CB C 21 22.271 20.292 1.979 1
1 166 . 18 1 1 A 21 21 ALA N N 21 123.395 127.658 -4.263 1
1 167 . 18 1 1 A 22 22 PHE H H 22 8.662 8.838 -0.176 1
1 168 . 18 1 1 A 22 22 PHE HA H 22 4.679 4.918 -0.239 1
1 176 . 18 1 1 A 22 22 PHE C C 22 175.069 175.655 -0.586 1
1 177 . 18 1 1 A 22 22 PHE CA C 22 57.458 56.667 0.791 1
1 178 . 18 1 1 A 22 22 PHE CB C 22 44.024 43.628 0.396 1
1 184 . 18 1 1 A 22 22 PHE N N 22 116.451 118.712 -2.261 1
1 185 . 18 1 1 A 23 23 ASN HA H 23 4.887 4.721 0.166 1
1 190 . 18 1 1 A 23 23 ASN C C 23 175.404 175.451 -0.047 1
1 191 . 18 1 1 A 23 23 ASN CA C 23 55.197 55.701 -0.504 1
1 192 . 18 1 1 A 23 23 ASN CB C 23 39.066 38.912 0.154 1
1 194 . 18 1 1 A 24 24 THR H H 24 7.425 7.677 -0.252 1
1 195 . 18 1 1 A 24 24 THR HA H 24 4.766 4.269 0.497 1
1 200 . 18 1 1 A 24 24 THR C C 24 173.616 174.633 -1.017 1
1 201 . 18 1 1 A 24 24 THR CA C 24 58.695 58.908 -0.213 1
1 202 . 18 1 1 A 24 24 THR CB C 24 72.730 71.377 1.353 1
1 204 . 18 1 1 A 24 24 THR N N 24 106.491 108.371 -1.880 1
1 205 . 18 1 1 A 25 25 LYS H H 25 8.323 8.296 0.027 1
1 206 . 18 1 1 A 25 25 LYS HA H 25 3.194 3.595 -0.401 1
1 215 . 18 1 1 A 25 25 LYS C C 25 178.784 177.732 1.052 1
1 216 . 18 1 1 A 25 25 LYS CA C 25 58.821 59.275 -0.454 1
1 217 . 18 1 1 A 25 25 LYS CB C 25 31.835 32.362 -0.527 1
1 221 . 18 1 1 A 25 25 LYS N N 25 124.117 122.565 1.552 1
1 222 . 18 1 1 A 26 26 SER H H 26 8.351 7.940 0.411 1
1 223 . 18 1 1 A 26 26 SER HA H 26 4.066 4.022 0.044 1
1 226 . 18 1 1 A 26 26 SER C C 26 176.574 176.672 -0.098 1
1 227 . 18 1 1 A 26 26 SER CA C 26 61.540 61.266 0.274 1
1 228 . 18 1 1 A 26 26 SER CB C 26 62.205 62.828 -0.623 1
1 229 . 18 1 1 A 26 26 SER N N 26 113.534 114.103 -0.569 1
1 230 . 18 1 1 A 27 27 ASN H H 27 7.720 7.867 -0.147 1
1 231 . 18 1 1 A 27 27 ASN HA H 27 4.461 4.584 -0.123 1
1 236 . 18 1 1 A 27 27 ASN C C 27 178.233 177.831 0.402 1
1 237 . 18 1 1 A 27 27 ASN CA C 27 55.387 56.138 -0.751 1
1 238 . 18 1 1 A 27 27 ASN CB C 27 37.652 38.710 -1.058 1
1 239 . 18 1 1 A 27 27 ASN N N 27 119.042 119.213 -0.171 1
1 241 . 18 1 1 A 28 28 LEU H H 28 7.445 7.878 -0.433 1
1 242 . 18 1 1 A 28 28 LEU HA H 28 3.276 3.181 0.095 1
1 252 . 18 1 1 A 28 28 LEU C C 28 177.423 178.081 -0.658 1
1 253 . 18 1 1 A 28 28 LEU CA C 28 58.231 57.416 0.815 1
1 254 . 18 1 1 A 28 28 LEU CB C 28 40.386 41.484 -1.098 1
1 258 . 18 1 1 A 28 28 LEU N N 28 122.869 120.464 2.405 1
1 259 . 18 1 1 A 29 29 MET H H 29 8.332 8.517 -0.185 1
1 260 . 18 1 1 A 29 29 MET HA H 29 4.187 4.121 0.066 1
1 268 . 18 1 1 A 29 29 MET C C 29 179.451 178.516 0.935 1
1 269 . 18 1 1 A 29 29 MET CA C 29 59.047 58.485 0.562 1
1 270 . 18 1 1 A 29 29 MET CB C 29 32.224 32.165 0.059 1
1 273 . 18 1 1 A 29 29 MET N N 29 118.924 117.281 1.643 1
1 274 . 18 1 1 A 30 30 VAL H H 30 7.797 7.997 -0.200 1
1 275 . 18 1 1 A 30 30 VAL HA H 30 3.523 3.681 -0.158 1
1 283 . 18 1 1 A 30 30 VAL C C 30 179.004 178.136 0.868 1
1 284 . 18 1 1 A 30 30 VAL CA C 30 66.614 66.102 0.512 1
1 285 . 18 1 1 A 30 30 VAL CB C 30 32.139 31.616 0.523 1
1 288 . 18 1 1 A 30 30 VAL N N 30 119.346 120.671 -1.325 1
1 289 . 18 1 1 A 31 31 HIS H H 31 7.373 8.018 -0.645 1
1 290 . 18 1 1 A 31 31 HIS HA H 31 4.217 4.219 -0.002 1
1 295 . 18 1 1 A 31 31 HIS C C 31 178.166 176.899 1.267 1
1 296 . 18 1 1 A 31 31 HIS CA C 31 59.194 58.759 0.435 1
1 297 . 18 1 1 A 31 31 HIS CB C 31 28.095 29.837 -1.742 1
1 300 . 18 1 1 A 31 31 HIS N N 31 119.317 119.465 -0.148 1
1 301 . 18 1 1 A 32 32 GLN H H 32 8.912 7.682 1.230 1
1 302 . 18 1 1 A 32 32 GLN HA H 32 3.660 4.100 -0.440 1
1 309 . 18 1 1 A 32 32 GLN C C 32 177.784 178.649 -0.865 1
1 310 . 18 1 1 A 32 32 GLN CA C 32 59.952 58.970 0.982 1
1 311 . 18 1 1 A 32 32 GLN CB C 32 28.263 28.559 -0.296 1
1 313 . 18 1 1 A 32 32 GLN N N 32 120.179 118.362 1.817 1
1 315 . 18 1 1 A 33 33 ARG H H 33 7.262 7.646 -0.384 1
1 316 . 18 1 1 A 33 33 ARG HA H 33 4.208 4.085 0.123 1
1 323 . 18 1 1 A 33 33 ARG C C 33 178.239 177.859 0.380 1
1 324 . 18 1 1 A 33 33 ARG CA C 33 58.523 58.787 -0.264 1
1 325 . 18 1 1 A 33 33 ARG CB C 33 29.988 30.048 -0.060 1
1 328 . 18 1 1 A 33 33 ARG N N 33 117.576 118.874 -1.298 1
1 329 . 18 1 1 A 34 34 THR H H 34 7.797 7.936 -0.139 1
1 330 . 18 1 1 A 34 34 THR HA H 34 4.142 4.002 0.140 1
1 335 . 18 1 1 A 34 34 THR C C 34 175.641 176.749 -1.108 1
1 336 . 18 1 1 A 34 34 THR CA C 34 63.920 65.512 -1.592 1
1 337 . 18 1 1 A 34 34 THR CB C 34 69.413 68.054 1.359 1
1 339 . 18 1 1 A 34 34 THR N N 34 109.658 111.735 -2.077 1
1 340 . 18 1 1 A 35 35 HIS H H 35 7.215 8.091 -0.876 1
1 341 . 18 1 1 A 35 35 HIS HA H 35 4.852 4.111 0.741 1
1 346 . 18 1 1 A 35 35 HIS C C 35 175.704 177.840 -2.136 1
1 347 . 18 1 1 A 35 35 HIS CA C 35 55.632 59.186 -3.554 1
1 348 . 18 1 1 A 35 35 HIS CB C 35 28.783 30.028 -1.245 1
1 351 . 18 1 1 A 35 35 HIS N N 35 118.639 119.385 -0.746 1
1 352 . 18 1 1 A 36 36 THR H H 36 7.818 7.817 0.001 1
1 353 . 18 1 1 A 36 36 THR HA H 36 4.397 4.147 0.250 1
1 358 . 18 1 1 A 36 36 THR C C 36 175.429 175.633 -0.204 1
1 359 . 18 1 1 A 36 36 THR CA C 36 62.294 65.211 -2.917 1
1 360 . 18 1 1 A 36 36 THR CB C 36 69.885 68.209 1.676 1
1 362 . 18 1 1 A 36 36 THR N N 36 111.712 112.091 -0.379 1
1 363 . 18 1 1 A 37 37 GLY H H 37 8.273 7.788 0.485 1
1 364 . 18 1 1 A 37 37 GLY HA2 H 37 4.055 4.003 0.052 1
1 365 . 18 1 1 A 37 37 GLY HA3 H 37 3.985 4.009 -0.024 1
1 366 . 18 1 1 A 37 37 GLY C C 37 174.325 172.759 1.566 1
1 367 . 18 1 1 A 37 37 GLY CA C 37 45.477 45.009 0.468 1
1 368 . 18 1 1 A 37 37 GLY N N 37 110.839 108.805 2.034 1
1 369 . 18 1 1 A 38 38 GLU H H 38 8.210 8.917 -0.707 1
1 370 . 18 1 1 A 38 38 GLU HA H 38 4.330 5.246 -0.916 1
1 375 . 18 1 1 A 38 38 GLU C C 38 176.563 175.123 1.440 1
1 376 . 18 1 1 A 38 38 GLU CA C 38 56.675 55.192 1.483 1
1 377 . 18 1 1 A 38 38 GLU CB C 38 30.528 31.486 -0.958 1
1 379 . 18 1 1 A 38 38 GLU N N 38 120.721 122.379 -1.658 1
1 380 . 18 1 1 A 39 39 SER H H 39 8.419 8.803 -0.384 1
1 381 . 18 1 1 A 39 39 SER HA H 39 4.499 5.221 -0.722 1
1 384 . 18 1 1 A 39 39 SER C C 39 174.576 173.153 1.423 1
1 385 . 18 1 1 A 39 39 SER CA C 39 58.389 57.950 0.439 1
1 386 . 18 1 1 A 39 39 SER CB C 39 64.005 65.876 -1.871 1
1 387 . 18 1 1 A 39 39 SER N N 39 116.775 117.708 -0.933 1
1 388 . 18 1 1 A 40 40 GLY H H 40 8.241 8.535 -0.294 1
1 389 . 18 1 1 A 40 40 GLY HA2 H 40 4.166 4.217 -0.051 1
1 390 . 18 1 1 A 40 40 GLY HA3 H 40 4.077 4.219 -0.142 1
1 391 . 18 1 1 A 40 40 GLY C C 40 171.716 171.559 0.157 1
1 392 . 18 1 1 A 40 40 GLY CA C 40 44.659 45.253 -0.594 1
1 393 . 18 1 1 A 40 40 GLY N N 40 110.604 110.434 0.170 1
1 394 . 18 1 1 A 41 41 PRO HA H 41 4.486 4.720 -0.234 1
1 401 . 18 1 1 A 41 41 PRO C C 41 177.364 175.033 2.331 1
1 402 . 18 1 1 A 41 41 PRO CA C 41 63.199 62.728 0.471 1
1 403 . 18 1 1 A 41 41 PRO CB C 41 32.225 31.101 1.124 1
1 406 . 18 1 1 A 42 42 SER H H 42 8.534 8.856 -0.322 1
1 407 . 18 1 1 A 42 42 SER C C 42 174.655 173.907 0.748 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 4.049 4.177 -0.128 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.049 4.179 -0.130 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.520 173.659 0.861 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.474 45.216 0.258 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.150 8.712 -0.562 1
1 6 . 19 1 1 A 8 8 THR HA H 8 4.390 4.452 -0.062 1
1 11 . 19 1 1 A 8 8 THR C C 8 175.239 175.532 -0.293 1
1 12 . 19 1 1 A 8 8 THR CA C 8 61.894 63.487 -1.593 1
1 13 . 19 1 1 A 8 8 THR CB C 8 69.895 70.339 -0.444 1
1 15 . 19 1 1 A 8 8 THR N N 8 112.793 120.430 -7.637 1
1 16 . 19 1 1 A 9 9 GLY H H 9 8.460 7.906 0.554 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 3.935 3.985 -0.050 1
1 18 . 19 1 1 A 9 9 GLY HA3 H 9 3.935 3.992 -0.057 1
1 19 . 19 1 1 A 9 9 GLY C C 9 174.058 174.956 -0.898 1
1 20 . 19 1 1 A 9 9 GLY CA C 9 45.284 44.994 0.290 1
1 21 . 19 1 1 A 9 9 GLY N N 9 110.999 108.352 2.647 1
1 22 . 19 1 1 A 10 10 GLU H H 10 8.232 8.724 -0.492 1
1 23 . 19 1 1 A 10 10 GLU HA H 10 4.221 4.554 -0.333 1
1 28 . 19 1 1 A 10 10 GLU C C 10 176.320 174.834 1.486 1
1 29 . 19 1 1 A 10 10 GLU CA C 10 56.807 55.984 0.823 1
1 30 . 19 1 1 A 10 10 GLU CB C 10 30.485 30.345 0.140 1
1 32 . 19 1 1 A 10 10 GLU N N 10 120.268 119.855 0.413 1
1 33 . 19 1 1 A 11 11 LYS H H 11 8.293 7.391 0.902 1
1 34 . 19 1 1 A 11 11 LYS HA H 11 4.511 4.801 -0.290 1
1 43 . 19 1 1 A 11 11 LYS C C 11 173.935 176.206 -2.271 1
1 44 . 19 1 1 A 11 11 LYS CA C 11 53.941 52.912 1.029 1
1 45 . 19 1 1 A 11 11 LYS CB C 11 32.968 34.350 -1.382 1
1 49 . 19 1 1 A 11 11 LYS N N 11 121.633 118.256 3.377 1
1 50 . 19 1 1 A 12 12 PRO HA H 12 4.311 4.318 -0.007 1
1 57 . 19 1 1 A 12 12 PRO C C 12 176.347 175.536 0.811 1
1 58 . 19 1 1 A 12 12 PRO CA C 12 63.422 63.806 -0.384 1
1 59 . 19 1 1 A 12 12 PRO CB C 12 32.261 31.243 1.018 1
1 62 . 19 1 1 A 13 13 TYR H H 13 8.065 7.362 0.703 1
1 63 . 19 1 1 A 13 13 TYR HA H 13 4.593 5.357 -0.764 1
1 70 . 19 1 1 A 13 13 TYR C C 13 174.711 175.062 -0.351 1
1 71 . 19 1 1 A 13 13 TYR CA C 13 57.524 56.931 0.593 1
1 72 . 19 1 1 A 13 13 TYR CB C 13 38.493 42.098 -3.605 1
1 77 . 19 1 1 A 13 13 TYR N N 13 118.480 118.444 0.036 1
1 78 . 19 1 1 A 14 14 GLU H H 14 8.555 8.764 -0.209 1
1 79 . 19 1 1 A 14 14 GLU HA H 14 4.830 5.409 -0.579 1
1 84 . 19 1 1 A 14 14 GLU C C 14 175.283 175.313 -0.030 1
1 85 . 19 1 1 A 14 14 GLU CA C 14 55.294 54.943 0.351 1
1 86 . 19 1 1 A 14 14 GLU CB C 14 32.651 32.812 -0.161 1
1 88 . 19 1 1 A 14 14 GLU N N 14 124.223 121.858 2.365 1
1 89 . 19 1 1 A 15 15 CYS H H 15 9.054 9.509 -0.455 1
1 90 . 19 1 1 A 15 15 CYS HA H 15 4.519 4.542 -0.023 1
1 93 . 19 1 1 A 15 15 CYS C C 15 176.371 175.695 0.676 1
1 94 . 19 1 1 A 15 15 CYS CA C 15 59.775 59.299 0.476 1
1 95 . 19 1 1 A 15 15 CYS CB C 15 29.834 29.025 0.809 1
1 96 . 19 1 1 A 15 15 CYS N N 15 126.124 125.022 1.102 1
1 97 . 19 1 1 A 16 16 ASN H H 16 9.145 8.548 0.597 1
1 98 . 19 1 1 A 16 16 ASN HA H 16 4.664 4.815 -0.151 1
1 103 . 19 1 1 A 16 16 ASN C C 16 175.434 176.845 -1.411 1
1 104 . 19 1 1 A 16 16 ASN CA C 16 55.450 54.066 1.384 1
1 105 . 19 1 1 A 16 16 ASN CB C 16 38.367 39.747 -1.380 1
1 106 . 19 1 1 A 16 16 ASN N N 16 128.375 121.560 6.815 1
1 108 . 19 1 1 A 17 17 GLU H H 17 8.940 8.017 0.923 1
1 109 . 19 1 1 A 17 17 GLU HA H 17 4.309 3.976 0.333 1
1 114 . 19 1 1 A 17 17 GLU C C 17 176.943 178.267 -1.324 1
1 115 . 19 1 1 A 17 17 GLU CA C 17 58.075 59.017 -0.942 1
1 116 . 19 1 1 A 17 17 GLU CB C 17 30.005 29.090 0.915 1
1 118 . 19 1 1 A 17 17 GLU N N 17 121.278 119.455 1.823 1
1 119 . 19 1 1 A 18 18 CYS H H 18 7.884 7.791 0.093 1
1 120 . 19 1 1 A 18 18 CYS HA H 18 5.030 4.518 0.512 1
1 123 . 19 1 1 A 18 18 CYS C C 18 174.784 174.821 -0.037 1
1 124 . 19 1 1 A 18 18 CYS CA C 18 58.712 59.477 -0.765 1
1 125 . 19 1 1 A 18 18 CYS CB C 18 31.646 29.113 2.533 1
1 126 . 19 1 1 A 18 18 CYS N N 18 116.336 116.106 0.230 1
1 127 . 19 1 1 A 19 19 GLN H H 19 8.117 7.972 0.145 1
1 128 . 19 1 1 A 19 19 GLN HA H 19 4.176 4.285 -0.109 1
1 135 . 19 1 1 A 19 19 GLN C C 19 175.071 174.640 0.431 1
1 136 . 19 1 1 A 19 19 GLN CA C 19 58.561 57.028 1.533 1
1 137 . 19 1 1 A 19 19 GLN CB C 19 26.375 26.458 -0.083 1
1 139 . 19 1 1 A 19 19 GLN N N 19 116.253 116.513 -0.260 1
1 141 . 19 1 1 A 20 20 LYS H H 20 7.920 7.587 0.333 1
1 142 . 19 1 1 A 20 20 LYS HA H 20 4.106 4.643 -0.537 1
1 151 . 19 1 1 A 20 20 LYS C C 20 173.942 176.113 -2.171 1
1 152 . 19 1 1 A 20 20 LYS CA C 20 57.784 55.115 2.669 1
1 153 . 19 1 1 A 20 20 LYS CB C 20 34.257 33.839 0.418 1
1 157 . 19 1 1 A 20 20 LYS N N 20 121.537 118.590 2.947 1
1 158 . 19 1 1 A 21 21 ALA H H 21 7.796 8.682 -0.886 1
1 159 . 19 1 1 A 21 21 ALA HA H 21 5.070 5.681 -0.611 1
1 163 . 19 1 1 A 21 21 ALA C C 21 176.123 176.799 -0.676 1
1 164 . 19 1 1 A 21 21 ALA CA C 21 50.530 51.093 -0.563 1
1 165 . 19 1 1 A 21 21 ALA CB C 21 22.271 21.454 0.817 1
1 166 . 19 1 1 A 21 21 ALA N N 21 123.395 123.469 -0.074 1
1 167 . 19 1 1 A 22 22 PHE H H 22 8.662 8.777 -0.115 1
1 168 . 19 1 1 A 22 22 PHE HA H 22 4.679 4.936 -0.257 1
1 176 . 19 1 1 A 22 22 PHE C C 22 175.069 176.145 -1.076 1
1 177 . 19 1 1 A 22 22 PHE CA C 22 57.458 56.316 1.142 1
1 178 . 19 1 1 A 22 22 PHE CB C 22 44.024 42.979 1.045 1
1 184 . 19 1 1 A 22 22 PHE N N 22 116.451 117.343 -0.892 1
1 185 . 19 1 1 A 23 23 ASN HA H 23 4.887 4.693 0.194 1
1 190 . 19 1 1 A 23 23 ASN C C 23 175.404 175.679 -0.275 1
1 191 . 19 1 1 A 23 23 ASN CA C 23 55.197 55.999 -0.802 1
1 192 . 19 1 1 A 23 23 ASN CB C 23 39.066 38.051 1.015 1
1 194 . 19 1 1 A 24 24 THR H H 24 7.425 7.700 -0.275 1
1 195 . 19 1 1 A 24 24 THR HA H 24 4.766 4.476 0.290 1
1 200 . 19 1 1 A 24 24 THR C C 24 173.616 174.633 -1.017 1
1 201 . 19 1 1 A 24 24 THR CA C 24 58.695 59.001 -0.306 1
1 202 . 19 1 1 A 24 24 THR CB C 24 72.730 71.704 1.026 1
1 204 . 19 1 1 A 24 24 THR N N 24 106.491 109.921 -3.430 1
1 205 . 19 1 1 A 25 25 LYS H H 25 8.323 8.393 -0.070 1
1 206 . 19 1 1 A 25 25 LYS HA H 25 3.194 3.360 -0.166 1
1 215 . 19 1 1 A 25 25 LYS C C 25 178.784 178.305 0.479 1
1 216 . 19 1 1 A 25 25 LYS CA C 25 58.821 59.298 -0.477 1
1 217 . 19 1 1 A 25 25 LYS CB C 25 31.835 32.146 -0.311 1
1 221 . 19 1 1 A 25 25 LYS N N 25 124.117 122.793 1.324 1
1 222 . 19 1 1 A 26 26 SER H H 26 8.351 8.108 0.243 1
1 223 . 19 1 1 A 26 26 SER HA H 26 4.066 4.044 0.022 1
1 226 . 19 1 1 A 26 26 SER C C 26 176.574 176.202 0.372 1
1 227 . 19 1 1 A 26 26 SER CA C 26 61.540 61.882 -0.342 1
1 228 . 19 1 1 A 26 26 SER CB C 26 62.205 62.688 -0.483 1
1 229 . 19 1 1 A 26 26 SER N N 26 113.534 116.090 -2.556 1
1 230 . 19 1 1 A 27 27 ASN H H 27 7.720 8.213 -0.493 1
1 231 . 19 1 1 A 27 27 ASN HA H 27 4.461 4.391 0.070 1
1 236 . 19 1 1 A 27 27 ASN C C 27 178.233 177.273 0.960 1
1 237 . 19 1 1 A 27 27 ASN CA C 27 55.387 56.831 -1.444 1
1 238 . 19 1 1 A 27 27 ASN CB C 27 37.652 39.161 -1.509 1
1 239 . 19 1 1 A 27 27 ASN N N 27 119.042 120.256 -1.214 1
1 241 . 19 1 1 A 28 28 LEU H H 28 7.445 7.722 -0.277 1
1 242 . 19 1 1 A 28 28 LEU HA H 28 3.276 3.204 0.072 1
1 252 . 19 1 1 A 28 28 LEU C C 28 177.423 178.319 -0.896 1
1 253 . 19 1 1 A 28 28 LEU CA C 28 58.231 57.685 0.546 1
1 254 . 19 1 1 A 28 28 LEU CB C 28 40.386 41.463 -1.077 1
1 258 . 19 1 1 A 28 28 LEU N N 28 122.869 120.120 2.749 1
1 259 . 19 1 1 A 29 29 MET H H 29 8.332 8.348 -0.016 1
1 260 . 19 1 1 A 29 29 MET HA H 29 4.187 4.161 0.026 1
1 268 . 19 1 1 A 29 29 MET C C 29 179.451 178.863 0.588 1
1 269 . 19 1 1 A 29 29 MET CA C 29 59.047 58.720 0.327 1
1 270 . 19 1 1 A 29 29 MET CB C 29 32.224 32.142 0.082 1
1 273 . 19 1 1 A 29 29 MET N N 29 118.924 117.329 1.595 1
1 274 . 19 1 1 A 30 30 VAL H H 30 7.797 8.051 -0.254 1
1 275 . 19 1 1 A 30 30 VAL HA H 30 3.523 3.490 0.033 1
1 283 . 19 1 1 A 30 30 VAL C C 30 179.004 178.368 0.636 1
1 284 . 19 1 1 A 30 30 VAL CA C 30 66.614 66.166 0.448 1
1 285 . 19 1 1 A 30 30 VAL CB C 30 32.139 31.546 0.593 1
1 288 . 19 1 1 A 30 30 VAL N N 30 119.346 119.405 -0.059 1
1 289 . 19 1 1 A 31 31 HIS H H 31 7.373 8.399 -1.026 1
1 290 . 19 1 1 A 31 31 HIS HA H 31 4.217 4.021 0.196 1
1 295 . 19 1 1 A 31 31 HIS C C 31 178.166 176.317 1.849 1
1 296 . 19 1 1 A 31 31 HIS CA C 31 59.194 60.013 -0.819 1
1 297 . 19 1 1 A 31 31 HIS CB C 31 28.095 29.724 -1.629 1
1 300 . 19 1 1 A 31 31 HIS N N 31 119.317 119.306 0.011 1
1 301 . 19 1 1 A 32 32 GLN H H 32 8.912 8.477 0.435 1
1 302 . 19 1 1 A 32 32 GLN HA H 32 3.660 3.772 -0.112 1
1 309 . 19 1 1 A 32 32 GLN C C 32 177.784 178.500 -0.716 1
1 310 . 19 1 1 A 32 32 GLN CA C 32 59.952 59.231 0.721 1
1 311 . 19 1 1 A 32 32 GLN CB C 32 28.263 28.288 -0.025 1
1 313 . 19 1 1 A 32 32 GLN N N 32 120.179 116.897 3.282 1
1 315 . 19 1 1 A 33 33 ARG H H 33 7.262 7.721 -0.459 1
1 316 . 19 1 1 A 33 33 ARG HA H 33 4.208 3.938 0.270 1
1 323 . 19 1 1 A 33 33 ARG C C 33 178.239 178.207 0.032 1
1 324 . 19 1 1 A 33 33 ARG CA C 33 58.523 59.427 -0.904 1
1 325 . 19 1 1 A 33 33 ARG CB C 33 29.988 29.820 0.168 1
1 328 . 19 1 1 A 33 33 ARG N N 33 117.576 120.137 -2.561 1
1 329 . 19 1 1 A 34 34 THR H H 34 7.797 8.339 -0.542 1
1 330 . 19 1 1 A 34 34 THR HA H 34 4.142 3.984 0.158 1
1 335 . 19 1 1 A 34 34 THR C C 34 175.641 176.703 -1.062 1
1 336 . 19 1 1 A 34 34 THR CA C 34 63.920 65.335 -1.415 1
1 337 . 19 1 1 A 34 34 THR CB C 34 69.413 67.971 1.442 1
1 339 . 19 1 1 A 34 34 THR N N 34 109.658 112.802 -3.144 1
1 340 . 19 1 1 A 35 35 HIS H H 35 7.215 7.950 -0.735 1
1 341 . 19 1 1 A 35 35 HIS HA H 35 4.852 4.210 0.642 1
1 346 . 19 1 1 A 35 35 HIS C C 35 175.704 176.065 -0.361 1
1 347 . 19 1 1 A 35 35 HIS CA C 35 55.632 58.900 -3.268 1
1 348 . 19 1 1 A 35 35 HIS CB C 35 28.783 29.879 -1.096 1
1 351 . 19 1 1 A 35 35 HIS N N 35 118.639 119.683 -1.044 1
1 352 . 19 1 1 A 36 36 THR H H 36 7.818 7.390 0.428 1
1 353 . 19 1 1 A 36 36 THR HA H 36 4.397 4.452 -0.055 1
1 358 . 19 1 1 A 36 36 THR C C 36 175.429 174.697 0.732 1
1 359 . 19 1 1 A 36 36 THR CA C 36 62.294 61.644 0.650 1
1 360 . 19 1 1 A 36 36 THR CB C 36 69.885 68.748 1.137 1
1 362 . 19 1 1 A 36 36 THR N N 36 111.712 111.542 0.170 1
1 363 . 19 1 1 A 37 37 GLY H H 37 8.273 8.728 -0.455 1
1 364 . 19 1 1 A 37 37 GLY HA2 H 37 4.055 3.770 0.285 1
1 365 . 19 1 1 A 37 37 GLY HA3 H 37 3.985 3.781 0.204 1
1 366 . 19 1 1 A 37 37 GLY C C 37 174.325 174.570 -0.245 1
1 367 . 19 1 1 A 37 37 GLY CA C 37 45.477 46.470 -0.993 1
1 368 . 19 1 1 A 37 37 GLY N N 37 110.839 114.315 -3.476 1
1 369 . 19 1 1 A 38 38 GLU H H 38 8.210 8.629 -0.419 1
1 370 . 19 1 1 A 38 38 GLU HA H 38 4.330 4.437 -0.107 1
1 375 . 19 1 1 A 38 38 GLU C C 38 176.563 174.766 1.797 1
1 376 . 19 1 1 A 38 38 GLU CA C 38 56.675 55.605 1.070 1
1 377 . 19 1 1 A 38 38 GLU CB C 38 30.528 30.327 0.201 1
1 379 . 19 1 1 A 38 38 GLU N N 38 120.721 125.360 -4.639 1
1 380 . 19 1 1 A 39 39 SER H H 39 8.419 7.746 0.673 1
1 381 . 19 1 1 A 39 39 SER HA H 39 4.499 4.712 -0.213 1
1 384 . 19 1 1 A 39 39 SER C C 39 174.576 172.185 2.391 1
1 385 . 19 1 1 A 39 39 SER CA C 39 58.389 57.242 1.147 1
1 386 . 19 1 1 A 39 39 SER CB C 39 64.005 64.585 -0.580 1
1 387 . 19 1 1 A 39 39 SER N N 39 116.775 115.974 0.801 1
1 388 . 19 1 1 A 40 40 GLY H H 40 8.241 8.504 -0.263 1
1 389 . 19 1 1 A 40 40 GLY HA2 H 40 4.166 4.559 -0.393 1
1 390 . 19 1 1 A 40 40 GLY HA3 H 40 4.077 4.560 -0.483 1
1 391 . 19 1 1 A 40 40 GLY C C 40 171.716 173.367 -1.651 1
1 392 . 19 1 1 A 40 40 GLY CA C 40 44.659 45.596 -0.937 1
1 393 . 19 1 1 A 40 40 GLY N N 40 110.604 110.656 -0.052 1
1 394 . 19 1 1 A 41 41 PRO HA H 41 4.486 4.498 -0.012 1
1 401 . 19 1 1 A 41 41 PRO C C 41 177.364 175.856 1.508 1
1 402 . 19 1 1 A 41 41 PRO CA C 41 63.199 64.116 -0.917 1
1 403 . 19 1 1 A 41 41 PRO CB C 41 32.225 31.444 0.781 1
1 406 . 19 1 1 A 42 42 SER H H 42 8.534 7.609 0.925 1
1 407 . 19 1 1 A 42 42 SER C C 42 174.655 172.899 1.756 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 4.049 3.990 0.059 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.049 3.994 0.055 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.520 174.494 0.026 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.474 44.779 0.695 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.150 8.353 -0.203 1
1 6 . 20 1 1 A 8 8 THR HA H 8 4.390 4.529 -0.139 1
1 11 . 20 1 1 A 8 8 THR C C 8 175.239 174.252 0.987 1
1 12 . 20 1 1 A 8 8 THR CA C 8 61.894 60.696 1.198 1
1 13 . 20 1 1 A 8 8 THR CB C 8 69.895 68.832 1.063 1
1 15 . 20 1 1 A 8 8 THR N N 8 112.793 115.059 -2.266 1
1 16 . 20 1 1 A 9 9 GLY H H 9 8.460 7.449 1.011 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 3.935 4.108 -0.173 1
1 18 . 20 1 1 A 9 9 GLY HA3 H 9 3.935 4.110 -0.175 1
1 19 . 20 1 1 A 9 9 GLY C C 9 174.058 174.060 -0.002 1
1 20 . 20 1 1 A 9 9 GLY CA C 9 45.284 45.552 -0.268 1
1 21 . 20 1 1 A 9 9 GLY N N 9 110.999 109.081 1.918 1
1 22 . 20 1 1 A 10 10 GLU H H 10 8.232 8.499 -0.267 1
1 23 . 20 1 1 A 10 10 GLU HA H 10 4.221 4.218 0.003 1
1 28 . 20 1 1 A 10 10 GLU C C 10 176.320 176.394 -0.074 1
1 29 . 20 1 1 A 10 10 GLU CA C 10 56.807 57.053 -0.246 1
1 30 . 20 1 1 A 10 10 GLU CB C 10 30.485 30.431 0.054 1
1 32 . 20 1 1 A 10 10 GLU N N 10 120.268 122.589 -2.321 1
1 33 . 20 1 1 A 11 11 LYS H H 11 8.293 8.718 -0.425 1
1 34 . 20 1 1 A 11 11 LYS HA H 11 4.511 4.445 0.066 1
1 43 . 20 1 1 A 11 11 LYS C C 11 173.935 176.449 -2.514 1
1 44 . 20 1 1 A 11 11 LYS CA C 11 53.941 54.322 -0.381 1
1 45 . 20 1 1 A 11 11 LYS CB C 11 32.968 32.032 0.936 1
1 49 . 20 1 1 A 11 11 LYS N N 11 121.633 126.399 -4.766 1
1 50 . 20 1 1 A 12 12 PRO HA H 12 4.311 4.366 -0.055 1
1 57 . 20 1 1 A 12 12 PRO C C 12 176.347 175.416 0.931 1
1 58 . 20 1 1 A 12 12 PRO CA C 12 63.422 63.929 -0.507 1
1 59 . 20 1 1 A 12 12 PRO CB C 12 32.261 31.133 1.128 1
1 62 . 20 1 1 A 13 13 TYR H H 13 8.065 7.431 0.634 1
1 63 . 20 1 1 A 13 13 TYR HA H 13 4.593 5.278 -0.685 1
1 70 . 20 1 1 A 13 13 TYR C C 13 174.711 175.026 -0.315 1
1 71 . 20 1 1 A 13 13 TYR CA C 13 57.524 57.198 0.326 1
1 72 . 20 1 1 A 13 13 TYR CB C 13 38.493 41.609 -3.116 1
1 77 . 20 1 1 A 13 13 TYR N N 13 118.480 119.060 -0.580 1
1 78 . 20 1 1 A 14 14 GLU H H 14 8.555 8.873 -0.318 1
1 79 . 20 1 1 A 14 14 GLU HA H 14 4.830 5.219 -0.389 1
1 84 . 20 1 1 A 14 14 GLU C C 14 175.283 175.370 -0.087 1
1 85 . 20 1 1 A 14 14 GLU CA C 14 55.294 55.024 0.270 1
1 86 . 20 1 1 A 14 14 GLU CB C 14 32.651 33.513 -0.862 1
1 88 . 20 1 1 A 14 14 GLU N N 14 124.223 120.829 3.394 1
1 89 . 20 1 1 A 15 15 CYS H H 15 9.054 9.352 -0.298 1
1 90 . 20 1 1 A 15 15 CYS HA H 15 4.519 4.562 -0.043 1
1 93 . 20 1 1 A 15 15 CYS C C 15 176.371 174.511 1.860 1
1 94 . 20 1 1 A 15 15 CYS CA C 15 59.775 59.353 0.422 1
1 95 . 20 1 1 A 15 15 CYS CB C 15 29.834 28.836 0.998 1
1 96 . 20 1 1 A 15 15 CYS N N 15 126.124 124.710 1.414 1
1 97 . 20 1 1 A 16 16 ASN H H 16 9.145 9.051 0.094 1
1 98 . 20 1 1 A 16 16 ASN HA H 16 4.664 4.932 -0.268 1
1 103 . 20 1 1 A 16 16 ASN C C 16 175.434 177.451 -2.017 1
1 104 . 20 1 1 A 16 16 ASN CA C 16 55.450 54.749 0.701 1
1 105 . 20 1 1 A 16 16 ASN CB C 16 38.367 40.497 -2.130 1
1 106 . 20 1 1 A 16 16 ASN N N 16 128.375 122.867 5.508 1
1 108 . 20 1 1 A 17 17 GLU H H 17 8.940 8.436 0.504 1
1 109 . 20 1 1 A 17 17 GLU HA H 17 4.309 4.047 0.262 1
1 114 . 20 1 1 A 17 17 GLU C C 17 176.943 178.197 -1.254 1
1 115 . 20 1 1 A 17 17 GLU CA C 17 58.075 58.815 -0.740 1
1 116 . 20 1 1 A 17 17 GLU CB C 17 30.005 29.383 0.622 1
1 118 . 20 1 1 A 17 17 GLU N N 17 121.278 118.432 2.846 1
1 119 . 20 1 1 A 18 18 CYS H H 18 7.884 7.781 0.103 1
1 120 . 20 1 1 A 18 18 CYS HA H 18 5.030 4.526 0.504 1
1 123 . 20 1 1 A 18 18 CYS C C 18 174.784 174.793 -0.009 1
1 124 . 20 1 1 A 18 18 CYS CA C 18 58.712 59.336 -0.624 1
1 125 . 20 1 1 A 18 18 CYS CB C 18 31.646 29.202 2.444 1
1 126 . 20 1 1 A 18 18 CYS N N 18 116.336 115.494 0.842 1
1 127 . 20 1 1 A 19 19 GLN H H 19 8.117 7.996 0.121 1
1 128 . 20 1 1 A 19 19 GLN HA H 19 4.176 4.228 -0.052 1
1 135 . 20 1 1 A 19 19 GLN C C 19 175.071 173.890 1.181 1
1 136 . 20 1 1 A 19 19 GLN CA C 19 58.561 57.009 1.552 1
1 137 . 20 1 1 A 19 19 GLN CB C 19 26.375 26.212 0.163 1
1 139 . 20 1 1 A 19 19 GLN N N 19 116.253 116.607 -0.354 1
1 141 . 20 1 1 A 20 20 LYS H H 20 7.920 7.489 0.431 1
1 142 . 20 1 1 A 20 20 LYS HA H 20 4.106 4.719 -0.613 1
1 151 . 20 1 1 A 20 20 LYS C C 20 173.942 176.003 -2.061 1
1 152 . 20 1 1 A 20 20 LYS CA C 20 57.784 55.886 1.898 1
1 153 . 20 1 1 A 20 20 LYS CB C 20 34.257 33.980 0.277 1
1 157 . 20 1 1 A 20 20 LYS N N 20 121.537 119.402 2.135 1
1 158 . 20 1 1 A 21 21 ALA H H 21 7.796 8.687 -0.891 1
1 159 . 20 1 1 A 21 21 ALA HA H 21 5.070 5.339 -0.269 1
1 163 . 20 1 1 A 21 21 ALA C C 21 176.123 176.860 -0.737 1
1 164 . 20 1 1 A 21 21 ALA CA C 21 50.530 51.873 -1.343 1
1 165 . 20 1 1 A 21 21 ALA CB C 21 22.271 20.382 1.889 1
1 166 . 20 1 1 A 21 21 ALA N N 21 123.395 127.813 -4.418 1
1 167 . 20 1 1 A 22 22 PHE H H 22 8.662 8.937 -0.275 1
1 168 . 20 1 1 A 22 22 PHE HA H 22 4.679 4.903 -0.224 1
1 176 . 20 1 1 A 22 22 PHE C C 22 175.069 175.971 -0.902 1
1 177 . 20 1 1 A 22 22 PHE CA C 22 57.458 56.475 0.983 1
1 178 . 20 1 1 A 22 22 PHE CB C 22 44.024 41.861 2.163 1
1 184 . 20 1 1 A 22 22 PHE N N 22 116.451 119.000 -2.549 1
1 185 . 20 1 1 A 23 23 ASN HA H 23 4.887 4.600 0.287 1
1 190 . 20 1 1 A 23 23 ASN C C 23 175.404 175.273 0.131 1
1 191 . 20 1 1 A 23 23 ASN CA C 23 55.197 56.124 -0.927 1
1 192 . 20 1 1 A 23 23 ASN CB C 23 39.066 38.397 0.669 1
1 194 . 20 1 1 A 24 24 THR H H 24 7.425 7.758 -0.333 1
1 195 . 20 1 1 A 24 24 THR HA H 24 4.766 4.660 0.106 1
1 200 . 20 1 1 A 24 24 THR C C 24 173.616 174.660 -1.044 1
1 201 . 20 1 1 A 24 24 THR CA C 24 58.695 59.102 -0.407 1
1 202 . 20 1 1 A 24 24 THR CB C 24 72.730 71.595 1.135 1
1 204 . 20 1 1 A 24 24 THR N N 24 106.491 108.286 -1.795 1
1 205 . 20 1 1 A 25 25 LYS H H 25 8.323 8.569 -0.246 1
1 206 . 20 1 1 A 25 25 LYS HA H 25 3.194 3.168 0.026 1
1 215 . 20 1 1 A 25 25 LYS C C 25 178.784 177.768 1.016 1
1 216 . 20 1 1 A 25 25 LYS CA C 25 58.821 59.468 -0.647 1
1 217 . 20 1 1 A 25 25 LYS CB C 25 31.835 31.933 -0.098 1
1 221 . 20 1 1 A 25 25 LYS N N 25 124.117 122.899 1.218 1
1 222 . 20 1 1 A 26 26 SER H H 26 8.351 7.969 0.382 1
1 223 . 20 1 1 A 26 26 SER HA H 26 4.066 4.014 0.052 1
1 226 . 20 1 1 A 26 26 SER C C 26 176.574 177.130 -0.556 1
1 227 . 20 1 1 A 26 26 SER CA C 26 61.540 61.626 -0.086 1
1 228 . 20 1 1 A 26 26 SER CB C 26 62.205 63.063 -0.858 1
1 229 . 20 1 1 A 26 26 SER N N 26 113.534 113.876 -0.342 1
1 230 . 20 1 1 A 27 27 ASN H H 27 7.720 8.218 -0.498 1
1 231 . 20 1 1 A 27 27 ASN HA H 27 4.461 4.418 0.043 1
1 236 . 20 1 1 A 27 27 ASN C C 27 178.233 177.268 0.965 1
1 237 . 20 1 1 A 27 27 ASN CA C 27 55.387 56.862 -1.475 1
1 238 . 20 1 1 A 27 27 ASN CB C 27 37.652 39.142 -1.490 1
1 239 . 20 1 1 A 27 27 ASN N N 27 119.042 118.994 0.048 1
1 241 . 20 1 1 A 28 28 LEU H H 28 7.445 7.845 -0.400 1
1 242 . 20 1 1 A 28 28 LEU HA H 28 3.276 2.897 0.379 1
1 252 . 20 1 1 A 28 28 LEU C C 28 177.423 178.348 -0.925 1
1 253 . 20 1 1 A 28 28 LEU CA C 28 58.231 57.618 0.613 1
1 254 . 20 1 1 A 28 28 LEU CB C 28 40.386 41.124 -0.738 1
1 258 . 20 1 1 A 28 28 LEU N N 28 122.869 120.175 2.694 1
1 259 . 20 1 1 A 29 29 MET H H 29 8.332 8.070 0.262 1
1 260 . 20 1 1 A 29 29 MET HA H 29 4.187 4.334 -0.147 1
1 268 . 20 1 1 A 29 29 MET C C 29 179.451 178.377 1.074 1
1 269 . 20 1 1 A 29 29 MET CA C 29 59.047 58.625 0.422 1
1 270 . 20 1 1 A 29 29 MET CB C 29 32.224 32.364 -0.140 1
1 273 . 20 1 1 A 29 29 MET N N 29 118.924 117.381 1.543 1
1 274 . 20 1 1 A 30 30 VAL H H 30 7.797 7.969 -0.172 1
1 275 . 20 1 1 A 30 30 VAL HA H 30 3.523 3.560 -0.037 1
1 283 . 20 1 1 A 30 30 VAL C C 30 179.004 178.526 0.478 1
1 284 . 20 1 1 A 30 30 VAL CA C 30 66.614 66.190 0.424 1
1 285 . 20 1 1 A 30 30 VAL CB C 30 32.139 31.532 0.607 1
1 288 . 20 1 1 A 30 30 VAL N N 30 119.346 119.672 -0.326 1
1 289 . 20 1 1 A 31 31 HIS H H 31 7.373 8.048 -0.675 1
1 290 . 20 1 1 A 31 31 HIS HA H 31 4.217 4.124 0.093 1
1 295 . 20 1 1 A 31 31 HIS C C 31 178.166 176.861 1.305 1
1 296 . 20 1 1 A 31 31 HIS CA C 31 59.194 59.591 -0.397 1
1 297 . 20 1 1 A 31 31 HIS CB C 31 28.095 29.513 -1.418 1
1 300 . 20 1 1 A 31 31 HIS N N 31 119.317 119.853 -0.536 1
1 301 . 20 1 1 A 32 32 GLN H H 32 8.912 8.429 0.483 1
1 302 . 20 1 1 A 32 32 GLN HA H 32 3.660 3.649 0.011 1
1 309 . 20 1 1 A 32 32 GLN C C 32 177.784 178.710 -0.926 1
1 310 . 20 1 1 A 32 32 GLN CA C 32 59.952 58.813 1.139 1
1 311 . 20 1 1 A 32 32 GLN CB C 32 28.263 28.173 0.090 1
1 313 . 20 1 1 A 32 32 GLN N N 32 120.179 117.304 2.875 1
1 315 . 20 1 1 A 33 33 ARG H H 33 7.262 7.340 -0.078 1
1 316 . 20 1 1 A 33 33 ARG HA H 33 4.208 4.049 0.159 1
1 323 . 20 1 1 A 33 33 ARG C C 33 178.239 179.330 -1.091 1
1 324 . 20 1 1 A 33 33 ARG CA C 33 58.523 59.153 -0.630 1
1 325 . 20 1 1 A 33 33 ARG CB C 33 29.988 30.816 -0.828 1
1 328 . 20 1 1 A 33 33 ARG N N 33 117.576 119.756 -2.180 1
1 329 . 20 1 1 A 34 34 THR H H 34 7.797 7.900 -0.103 1
1 330 . 20 1 1 A 34 34 THR HA H 34 4.142 4.029 0.113 1
1 335 . 20 1 1 A 34 34 THR C C 34 175.641 176.725 -1.084 1
1 336 . 20 1 1 A 34 34 THR CA C 34 63.920 64.543 -0.623 1
1 337 . 20 1 1 A 34 34 THR CB C 34 69.413 68.575 0.838 1
1 339 . 20 1 1 A 34 34 THR N N 34 109.658 113.927 -4.269 1
1 340 . 20 1 1 A 35 35 HIS H H 35 7.215 7.087 0.128 1
1 341 . 20 1 1 A 35 35 HIS HA H 35 4.852 4.315 0.537 1
1 346 . 20 1 1 A 35 35 HIS C C 35 175.704 175.809 -0.105 1
1 347 . 20 1 1 A 35 35 HIS CA C 35 55.632 58.863 -3.231 1
1 348 . 20 1 1 A 35 35 HIS CB C 35 28.783 29.621 -0.838 1
1 351 . 20 1 1 A 35 35 HIS N N 35 118.639 118.320 0.319 1
1 352 . 20 1 1 A 36 36 THR H H 36 7.818 7.368 0.450 1
1 353 . 20 1 1 A 36 36 THR HA H 36 4.397 4.388 0.009 1
1 358 . 20 1 1 A 36 36 THR C C 36 175.429 174.066 1.363 1
1 359 . 20 1 1 A 36 36 THR CA C 36 62.294 61.417 0.877 1
1 360 . 20 1 1 A 36 36 THR CB C 36 69.885 68.700 1.185 1
1 362 . 20 1 1 A 36 36 THR N N 36 111.712 108.569 3.143 1
1 363 . 20 1 1 A 37 37 GLY H H 37 8.273 7.946 0.327 1
1 364 . 20 1 1 A 37 37 GLY HA2 H 37 4.055 4.190 -0.135 1
1 365 . 20 1 1 A 37 37 GLY HA3 H 37 3.985 4.191 -0.206 1
1 366 . 20 1 1 A 37 37 GLY C C 37 174.325 172.320 2.005 1
1 367 . 20 1 1 A 37 37 GLY CA C 37 45.477 46.243 -0.766 1
1 368 . 20 1 1 A 37 37 GLY N N 37 110.839 110.673 0.166 1
1 369 . 20 1 1 A 38 38 GLU H H 38 8.210 8.318 -0.108 1
1 370 . 20 1 1 A 38 38 GLU HA H 38 4.330 4.382 -0.052 1
1 375 . 20 1 1 A 38 38 GLU C C 38 176.563 176.727 -0.164 1
1 376 . 20 1 1 A 38 38 GLU CA C 38 56.675 56.436 0.239 1
1 377 . 20 1 1 A 38 38 GLU CB C 38 30.528 31.343 -0.815 1
1 379 . 20 1 1 A 38 38 GLU N N 38 120.721 125.841 -5.120 1
1 380 . 20 1 1 A 39 39 SER H H 39 8.419 9.049 -0.630 1
1 381 . 20 1 1 A 39 39 SER HA H 39 4.499 4.569 -0.070 1
1 384 . 20 1 1 A 39 39 SER C C 39 174.576 175.187 -0.611 1
1 385 . 20 1 1 A 39 39 SER CA C 39 58.389 59.971 -1.582 1
1 386 . 20 1 1 A 39 39 SER CB C 39 64.005 64.068 -0.063 1
1 387 . 20 1 1 A 39 39 SER N N 39 116.775 117.068 -0.293 1
1 388 . 20 1 1 A 40 40 GLY H H 40 8.241 7.838 0.403 1
1 389 . 20 1 1 A 40 40 GLY HA2 H 40 4.166 4.110 0.056 1
1 390 . 20 1 1 A 40 40 GLY HA3 H 40 4.077 4.113 -0.036 1
1 391 . 20 1 1 A 40 40 GLY C C 40 171.716 173.502 -1.786 1
1 392 . 20 1 1 A 40 40 GLY CA C 40 44.659 44.413 0.246 1
1 393 . 20 1 1 A 40 40 GLY N N 40 110.604 107.114 3.490 1
1 394 . 20 1 1 A 41 41 PRO HA H 41 4.486 4.642 -0.156 1
1 401 . 20 1 1 A 41 41 PRO C C 41 177.364 176.145 1.219 1
1 402 . 20 1 1 A 41 41 PRO CA C 41 63.199 62.676 0.523 1
1 403 . 20 1 1 A 41 41 PRO CB C 41 32.225 32.221 0.004 1
1 406 . 20 1 1 A 42 42 SER H H 42 8.534 8.513 0.021 1
1 407 . 20 1 1 A 42 42 SER C C 42 174.655 173.468 1.187 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 36 1.009 1
2 1 1 1 "RMS(OBS, PRED)" CA 35 1.226 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.109 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.454 1
5 1 1 1 "RMS(OBS, PRED)" HA 39 0.290 1
6 1 1 1 "RMS(OBS, PRED)" N 31 2.571 1
7 1 2 1 "RMS(OBS, PRED)" C 36 0.939 1
8 1 2 1 "RMS(OBS, PRED)" CA 35 1.216 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.369 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.399 1
11 1 2 1 "RMS(OBS, PRED)" HA 39 0.334 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.398 1
13 1 3 1 "RMS(OBS, PRED)" C 36 1.022 1
14 1 3 1 "RMS(OBS, PRED)" CA 35 1.306 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.294 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.527 1
17 1 3 1 "RMS(OBS, PRED)" HA 39 0.324 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.598 1
19 1 4 1 "RMS(OBS, PRED)" C 36 1.149 1
20 1 4 1 "RMS(OBS, PRED)" CA 35 1.333 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.271 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.485 1
23 1 4 1 "RMS(OBS, PRED)" HA 39 0.341 1
24 1 4 1 "RMS(OBS, PRED)" N 31 2.529 1
25 1 5 1 "RMS(OBS, PRED)" C 36 1.070 1
26 1 5 1 "RMS(OBS, PRED)" CA 35 1.491 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.189 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.431 1
29 1 5 1 "RMS(OBS, PRED)" HA 39 0.309 1
30 1 5 1 "RMS(OBS, PRED)" N 31 2.283 1
31 1 6 1 "RMS(OBS, PRED)" C 36 1.052 1
32 1 6 1 "RMS(OBS, PRED)" CA 35 1.181 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.099 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.433 1
35 1 6 1 "RMS(OBS, PRED)" HA 39 0.255 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.646 1
37 1 7 1 "RMS(OBS, PRED)" C 36 1.113 1
38 1 7 1 "RMS(OBS, PRED)" CA 35 1.170 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.158 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.499 1
41 1 7 1 "RMS(OBS, PRED)" HA 39 0.302 1
42 1 7 1 "RMS(OBS, PRED)" N 31 2.467 1
43 1 8 1 "RMS(OBS, PRED)" C 36 1.197 1
44 1 8 1 "RMS(OBS, PRED)" CA 35 1.043 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.381 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.445 1
47 1 8 1 "RMS(OBS, PRED)" HA 39 0.321 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.699 1
49 1 9 1 "RMS(OBS, PRED)" C 36 1.256 1
50 1 9 1 "RMS(OBS, PRED)" CA 35 1.421 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.386 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.440 1
53 1 9 1 "RMS(OBS, PRED)" HA 39 0.359 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.671 1
55 1 10 1 "RMS(OBS, PRED)" C 36 1.253 1
56 1 10 1 "RMS(OBS, PRED)" CA 35 1.183 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.334 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.417 1
59 1 10 1 "RMS(OBS, PRED)" HA 39 0.330 1
60 1 10 1 "RMS(OBS, PRED)" N 31 2.856 1
61 1 11 1 "RMS(OBS, PRED)" C 36 1.076 1
62 1 11 1 "RMS(OBS, PRED)" CA 35 1.171 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.138 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.416 1
65 1 11 1 "RMS(OBS, PRED)" HA 39 0.266 1
66 1 11 1 "RMS(OBS, PRED)" N 31 2.276 1
67 1 12 1 "RMS(OBS, PRED)" C 36 1.247 1
68 1 12 1 "RMS(OBS, PRED)" CA 35 1.185 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.513 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.375 1
71 1 12 1 "RMS(OBS, PRED)" HA 39 0.315 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.522 1
73 1 13 1 "RMS(OBS, PRED)" C 36 1.057 1
74 1 13 1 "RMS(OBS, PRED)" CA 35 1.321 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.323 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.473 1
77 1 13 1 "RMS(OBS, PRED)" HA 39 0.323 1
78 1 13 1 "RMS(OBS, PRED)" N 31 2.900 1
79 1 14 1 "RMS(OBS, PRED)" C 36 1.024 1
80 1 14 1 "RMS(OBS, PRED)" CA 35 1.268 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.294 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.492 1
83 1 14 1 "RMS(OBS, PRED)" HA 39 0.257 1
84 1 14 1 "RMS(OBS, PRED)" N 31 2.862 1
85 1 15 1 "RMS(OBS, PRED)" C 36 1.052 1
86 1 15 1 "RMS(OBS, PRED)" CA 35 1.222 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.255 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.460 1
89 1 15 1 "RMS(OBS, PRED)" HA 39 0.280 1
90 1 15 1 "RMS(OBS, PRED)" N 31 2.980 1
91 1 16 1 "RMS(OBS, PRED)" C 36 1.257 1
92 1 16 1 "RMS(OBS, PRED)" CA 35 1.100 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.276 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.407 1
95 1 16 1 "RMS(OBS, PRED)" HA 39 0.333 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.792 1
97 1 17 1 "RMS(OBS, PRED)" C 36 1.041 1
98 1 17 1 "RMS(OBS, PRED)" CA 35 1.103 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.444 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.394 1
101 1 17 1 "RMS(OBS, PRED)" HA 39 0.272 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.625 1
103 1 18 1 "RMS(OBS, PRED)" C 36 1.241 1
104 1 18 1 "RMS(OBS, PRED)" CA 35 1.158 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.389 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.453 1
107 1 18 1 "RMS(OBS, PRED)" HA 39 0.376 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.686 1
109 1 19 1 "RMS(OBS, PRED)" C 36 1.162 1
110 1 19 1 "RMS(OBS, PRED)" CA 35 1.135 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.189 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.548 1
113 1 19 1 "RMS(OBS, PRED)" HA 39 0.307 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.812 1
115 1 20 1 "RMS(OBS, PRED)" C 36 1.162 1
116 1 20 1 "RMS(OBS, PRED)" CA 35 1.005 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.235 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.428 1
119 1 20 1 "RMS(OBS, PRED)" HA 39 0.246 1
120 1 20 1 "RMS(OBS, PRED)" N 31 2.678 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 4.049 4.123 -0.074 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.049 4.125 -0.076 2
1 3 . 1 1 A 7 7 GLY C C 7 174.520 173.506 1.014 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.474 45.735 -0.261 2
1 5 . 1 1 A 8 8 THR H H 8 8.150 8.352 -0.202 2
1 6 . 1 1 A 8 8 THR HA H 8 4.390 4.568 -0.178 2
1 11 . 1 1 A 8 8 THR C C 8 175.239 174.611 0.628 2
1 12 . 1 1 A 8 8 THR CA C 8 61.894 61.913 -0.019 2
1 13 . 1 1 A 8 8 THR CB C 8 69.895 69.967 -0.072 2
1 15 . 1 1 A 8 8 THR N N 8 112.793 115.440 -2.647 2
1 16 . 1 1 A 9 9 GLY H H 9 8.460 8.377 0.083 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 3.935 4.058 -0.123 2
1 18 . 1 1 A 9 9 GLY HA3 H 9 3.935 4.061 -0.126 2
1 19 . 1 1 A 9 9 GLY C C 9 174.058 173.501 0.557 2
1 20 . 1 1 A 9 9 GLY CA C 9 45.284 45.722 -0.438 2
1 21 . 1 1 A 9 9 GLY N N 9 110.999 111.014 -0.015 2
1 22 . 1 1 A 10 10 GLU H H 10 8.232 8.428 -0.196 2
1 23 . 1 1 A 10 10 GLU HA H 10 4.221 4.564 -0.343 2
1 28 . 1 1 A 10 10 GLU C C 10 176.320 175.300 1.020 2
1 29 . 1 1 A 10 10 GLU CA C 10 56.807 55.925 0.882 2
1 30 . 1 1 A 10 10 GLU CB C 10 30.485 30.655 -0.170 2
1 32 . 1 1 A 10 10 GLU N N 10 120.268 120.390 -0.122 2
1 33 . 1 1 A 11 11 LYS H H 11 8.293 8.211 0.082 2
1 34 . 1 1 A 11 11 LYS HA H 11 4.511 4.614 -0.103 2
1 43 . 1 1 A 11 11 LYS C C 11 173.935 176.330 -2.395 2
1 44 . 1 1 A 11 11 LYS CA C 11 53.941 53.686 0.255 2
1 45 . 1 1 A 11 11 LYS CB C 11 32.968 32.991 -0.023 2
1 49 . 1 1 A 11 11 LYS N N 11 121.633 122.385 -0.752 2
1 50 . 1 1 A 12 12 PRO HA H 12 4.311 4.341 -0.030 2
1 57 . 1 1 A 12 12 PRO C C 12 176.347 175.534 0.813 2
1 58 . 1 1 A 12 12 PRO CA C 12 63.422 63.900 -0.478 2
1 59 . 1 1 A 12 12 PRO CB C 12 32.261 31.176 1.085 2
1 62 . 1 1 A 13 13 TYR H H 13 8.065 7.407 0.658 2
1 63 . 1 1 A 13 13 TYR HA H 13 4.593 5.294 -0.701 2
1 70 . 1 1 A 13 13 TYR C C 13 174.711 175.013 -0.302 2
1 71 . 1 1 A 13 13 TYR CA C 13 57.524 56.968 0.556 2
1 72 . 1 1 A 13 13 TYR CB C 13 38.493 41.269 -2.776 2
1 77 . 1 1 A 13 13 TYR N N 13 118.480 118.876 -0.396 2
1 78 . 1 1 A 14 14 GLU H H 14 8.555 8.806 -0.251 2
1 79 . 1 1 A 14 14 GLU HA H 14 4.830 5.277 -0.447 2
1 84 . 1 1 A 14 14 GLU C C 14 175.283 175.282 0.001 2
1 85 . 1 1 A 14 14 GLU CA C 14 55.294 54.855 0.439 2
1 86 . 1 1 A 14 14 GLU CB C 14 32.651 33.485 -0.834 2
1 88 . 1 1 A 14 14 GLU N N 14 124.223 122.148 2.075 2
1 89 . 1 1 A 15 15 CYS H H 15 9.054 9.153 -0.099 2
1 90 . 1 1 A 15 15 CYS HA H 15 4.519 4.661 -0.142 2
1 93 . 1 1 A 15 15 CYS C C 15 176.371 175.249 1.122 2
1 94 . 1 1 A 15 15 CYS CA C 15 59.775 59.190 0.586 2
1 95 . 1 1 A 15 15 CYS CB C 15 29.834 29.027 0.807 2
1 96 . 1 1 A 15 15 CYS N N 15 126.124 123.927 2.197 2
1 97 . 1 1 A 16 16 ASN H H 16 9.145 8.969 0.177 2
1 98 . 1 1 A 16 16 ASN HA H 16 4.664 4.960 -0.296 2
1 103 . 1 1 A 16 16 ASN C C 16 175.434 176.211 -0.777 2
1 104 . 1 1 A 16 16 ASN CA C 16 55.450 53.876 1.574 2
1 105 . 1 1 A 16 16 ASN CB C 16 38.367 39.699 -1.332 2
1 106 . 1 1 A 16 16 ASN N N 16 128.375 122.988 5.387 2
1 108 . 1 1 A 17 17 GLU H H 17 8.940 8.185 0.755 2
1 109 . 1 1 A 17 17 GLU HA H 17 4.309 4.191 0.118 2
1 114 . 1 1 A 17 17 GLU C C 17 176.943 178.095 -1.152 2
1 115 . 1 1 A 17 17 GLU CA C 17 58.075 58.277 -0.202 2
1 116 . 1 1 A 17 17 GLU CB C 17 30.005 30.431 -0.426 2
1 118 . 1 1 A 17 17 GLU N N 17 121.278 118.586 2.692 2
1 119 . 1 1 A 18 18 CYS H H 18 7.884 7.897 -0.013 2
1 120 . 1 1 A 18 18 CYS HA H 18 5.030 4.509 0.521 2
1 123 . 1 1 A 18 18 CYS C C 18 174.784 174.634 0.150 2
1 124 . 1 1 A 18 18 CYS CA C 18 58.712 59.082 -0.370 2
1 125 . 1 1 A 18 18 CYS CB C 18 31.646 29.048 2.598 2
1 126 . 1 1 A 18 18 CYS N N 18 116.336 115.274 1.062 2
1 127 . 1 1 A 19 19 GLN H H 19 8.117 7.935 0.182 2
1 128 . 1 1 A 19 19 GLN HA H 19 4.176 4.133 0.043 2
1 135 . 1 1 A 19 19 GLN C C 19 175.071 174.202 0.869 2
1 136 . 1 1 A 19 19 GLN CA C 19 58.561 56.997 1.564 2
1 137 . 1 1 A 19 19 GLN CB C 19 26.375 26.237 0.138 2
1 139 . 1 1 A 19 19 GLN N N 19 116.253 116.501 -0.248 2
1 141 . 1 1 A 20 20 LYS H H 20 7.920 7.779 0.141 2
1 142 . 1 1 A 20 20 LYS HA H 20 4.106 4.688 -0.582 2
1 151 . 1 1 A 20 20 LYS C C 20 173.942 175.781 -1.839 2
1 152 . 1 1 A 20 20 LYS CA C 20 57.784 55.143 2.641 2
1 153 . 1 1 A 20 20 LYS CB C 20 34.257 34.360 -0.103 2
1 157 . 1 1 A 20 20 LYS N N 20 121.537 118.873 2.664 2
1 158 . 1 1 A 21 21 ALA H H 21 7.796 8.536 -0.740 2
1 159 . 1 1 A 21 21 ALA HA H 21 5.070 5.243 -0.173 2
1 163 . 1 1 A 21 21 ALA C C 21 176.123 176.639 -0.516 2
1 164 . 1 1 A 21 21 ALA CA C 21 50.530 51.577 -1.046 2
1 165 . 1 1 A 21 21 ALA CB C 21 22.271 20.743 1.528 2
1 166 . 1 1 A 21 21 ALA N N 21 123.395 126.193 -2.798 2
1 167 . 1 1 A 22 22 PHE H H 22 8.662 8.739 -0.077 2
1 168 . 1 1 A 22 22 PHE HA H 22 4.679 4.927 -0.248 2
1 176 . 1 1 A 22 22 PHE C C 22 175.069 175.929 -0.860 2
1 177 . 1 1 A 22 22 PHE CA C 22 57.458 56.730 0.728 2
1 178 . 1 1 A 22 22 PHE CB C 22 44.024 43.285 0.739 2
1 184 . 1 1 A 22 22 PHE N N 22 116.451 118.307 -1.856 2
1 185 . 1 1 A 23 23 ASN HA H 23 4.887 4.742 0.145 2
1 190 . 1 1 A 23 23 ASN C C 23 175.404 175.557 -0.153 2
1 191 . 1 1 A 23 23 ASN CA C 23 55.197 55.616 -0.419 2
1 192 . 1 1 A 23 23 ASN CB C 23 39.066 38.725 0.341 2
1 194 . 1 1 A 24 24 THR H H 24 7.425 7.722 -0.297 2
1 195 . 1 1 A 24 24 THR HA H 24 4.766 4.447 0.319 2
1 200 . 1 1 A 24 24 THR C C 24 173.616 174.620 -1.004 2
1 201 . 1 1 A 24 24 THR CA C 24 58.695 59.015 -0.320 2
1 202 . 1 1 A 24 24 THR CB C 24 72.730 71.731 0.999 2
1 204 . 1 1 A 24 24 THR N N 24 106.491 109.438 -2.947 2
1 205 . 1 1 A 25 25 LYS H H 25 8.323 8.328 -0.004 2
1 206 . 1 1 A 25 25 LYS HA H 25 3.194 3.382 -0.188 2
1 215 . 1 1 A 25 25 LYS C C 25 178.784 177.882 0.902 2
1 216 . 1 1 A 25 25 LYS CA C 25 58.821 59.481 -0.660 2
1 217 . 1 1 A 25 25 LYS CB C 25 31.835 32.056 -0.221 2
1 221 . 1 1 A 25 25 LYS N N 25 124.117 122.587 1.530 2
1 222 . 1 1 A 26 26 SER H H 26 8.351 7.993 0.358 2
1 223 . 1 1 A 26 26 SER HA H 26 4.066 4.045 0.020 2
1 226 . 1 1 A 26 26 SER C C 26 176.574 176.849 -0.275 2
1 227 . 1 1 A 26 26 SER CA C 26 61.540 61.540 -0.000 2
1 228 . 1 1 A 26 26 SER CB C 26 62.205 62.833 -0.628 2
1 229 . 1 1 A 26 26 SER N N 26 113.534 114.654 -1.120 2
1 230 . 1 1 A 27 27 ASN H H 27 7.720 8.007 -0.287 2
1 231 . 1 1 A 27 27 ASN HA H 27 4.461 4.434 0.027 2
1 236 . 1 1 A 27 27 ASN C C 27 178.233 177.518 0.715 2
1 237 . 1 1 A 27 27 ASN CA C 27 55.387 56.460 -1.073 2
1 238 . 1 1 A 27 27 ASN CB C 27 37.652 38.713 -1.061 2
1 239 . 1 1 A 27 27 ASN N N 27 119.042 119.862 -0.820 2
1 241 . 1 1 A 28 28 LEU H H 28 7.445 7.577 -0.132 2
1 242 . 1 1 A 28 28 LEU HA H 28 3.276 3.052 0.224 2
1 252 . 1 1 A 28 28 LEU C C 28 177.423 178.277 -0.854 2
1 253 . 1 1 A 28 28 LEU CA C 28 58.231 57.635 0.596 2
1 254 . 1 1 A 28 28 LEU CB C 28 40.386 41.305 -0.919 2
1 258 . 1 1 A 28 28 LEU N N 28 122.869 120.487 2.382 2
1 259 . 1 1 A 29 29 MET H H 29 8.332 8.431 -0.099 2
1 260 . 1 1 A 29 29 MET HA H 29 4.187 4.063 0.124 2
1 268 . 1 1 A 29 29 MET C C 29 179.451 178.650 0.801 2
1 269 . 1 1 A 29 29 MET CA C 29 59.047 58.683 0.364 2
1 270 . 1 1 A 29 29 MET CB C 29 32.224 32.195 0.029 2
1 273 . 1 1 A 29 29 MET N N 29 118.924 117.385 1.539 2
1 274 . 1 1 A 30 30 VAL H H 30 7.797 7.918 -0.121 2
1 275 . 1 1 A 30 30 VAL HA H 30 3.523 3.571 -0.048 2
1 283 . 1 1 A 30 30 VAL C C 30 179.004 178.240 0.764 2
1 284 . 1 1 A 30 30 VAL CA C 30 66.614 66.203 0.411 2
1 285 . 1 1 A 30 30 VAL CB C 30 32.139 31.441 0.698 2
1 288 . 1 1 A 30 30 VAL N N 30 119.346 119.916 -0.570 2
1 289 . 1 1 A 31 31 HIS H H 31 7.373 8.099 -0.726 2
1 290 . 1 1 A 31 31 HIS HA H 31 4.217 4.100 0.117 2
1 295 . 1 1 A 31 31 HIS C C 31 178.166 176.733 1.433 2
1 296 . 1 1 A 31 31 HIS CA C 31 59.194 59.473 -0.279 2
1 297 . 1 1 A 31 31 HIS CB C 31 28.095 29.728 -1.633 2
1 300 . 1 1 A 31 31 HIS N N 31 119.317 119.516 -0.199 2
1 301 . 1 1 A 32 32 GLN H H 32 8.912 8.120 0.792 2
1 302 . 1 1 A 32 32 GLN HA H 32 3.660 3.855 -0.195 2
1 309 . 1 1 A 32 32 GLN C C 32 177.784 178.572 -0.788 2
1 310 . 1 1 A 32 32 GLN CA C 32 59.952 59.016 0.936 2
1 311 . 1 1 A 32 32 GLN CB C 32 28.263 28.420 -0.157 2
1 313 . 1 1 A 32 32 GLN N N 32 120.179 117.639 2.540 2
1 315 . 1 1 A 33 33 ARG H H 33 7.262 7.718 -0.456 2
1 316 . 1 1 A 33 33 ARG HA H 33 4.208 4.015 0.193 2
1 323 . 1 1 A 33 33 ARG C C 33 178.239 178.385 -0.146 2
1 324 . 1 1 A 33 33 ARG CA C 33 58.523 59.108 -0.585 2
1 325 . 1 1 A 33 33 ARG CB C 33 29.988 30.087 -0.099 2
1 328 . 1 1 A 33 33 ARG N N 33 117.576 119.407 -1.831 2
1 329 . 1 1 A 34 34 THR H H 34 7.797 8.035 -0.238 2
1 330 . 1 1 A 34 34 THR HA H 34 4.142 4.032 0.110 2
1 335 . 1 1 A 34 34 THR C C 34 175.641 176.704 -1.063 2
1 336 . 1 1 A 34 34 THR CA C 34 63.920 65.266 -1.346 2
1 337 . 1 1 A 34 34 THR CB C 34 69.413 68.190 1.223 2
1 339 . 1 1 A 34 34 THR N N 34 109.658 112.897 -3.239 2
1 340 . 1 1 A 35 35 HIS H H 35 7.215 7.701 -0.486 2
1 341 . 1 1 A 35 35 HIS HA H 35 4.852 4.266 0.586 2
1 346 . 1 1 A 35 35 HIS C C 35 175.704 176.495 -0.791 2
1 347 . 1 1 A 35 35 HIS CA C 35 55.632 58.928 -3.296 2
1 348 . 1 1 A 35 35 HIS CB C 35 28.783 29.863 -1.080 2
1 351 . 1 1 A 35 35 HIS N N 35 118.639 119.250 -0.611 2
1 352 . 1 1 A 36 36 THR H H 36 7.818 7.722 0.096 2
1 353 . 1 1 A 36 36 THR HA H 36 4.397 4.290 0.107 2
1 358 . 1 1 A 36 36 THR C C 36 175.429 174.557 0.872 2
1 359 . 1 1 A 36 36 THR CA C 36 62.294 62.426 -0.132 2
1 360 . 1 1 A 36 36 THR CB C 36 69.885 69.287 0.598 2
1 362 . 1 1 A 36 36 THR N N 36 111.712 110.804 0.908 2
1 363 . 1 1 A 37 37 GLY H H 37 8.273 8.150 0.122 2
1 364 . 1 1 A 37 37 GLY HA2 H 37 4.055 4.059 -0.004 2
1 365 . 1 1 A 37 37 GLY HA3 H 37 3.985 4.064 -0.079 2
1 366 . 1 1 A 37 37 GLY C C 37 174.325 173.431 0.894 2
1 367 . 1 1 A 37 37 GLY CA C 37 45.477 45.478 -0.001 2
1 368 . 1 1 A 37 37 GLY N N 37 110.839 112.047 -1.208 2
1 369 . 1 1 A 38 38 GLU H H 38 8.210 8.347 -0.137 2
1 370 . 1 1 A 38 38 GLU HA H 38 4.330 4.558 -0.228 2
1 375 . 1 1 A 38 38 GLU C C 38 176.563 175.734 0.829 2
1 376 . 1 1 A 38 38 GLU CA C 38 56.675 56.082 0.593 2
1 377 . 1 1 A 38 38 GLU CB C 38 30.528 31.039 -0.511 2
1 379 . 1 1 A 38 38 GLU N N 38 120.721 122.753 -2.032 2
1 380 . 1 1 A 39 39 SER H H 39 8.419 8.588 -0.169 2
1 381 . 1 1 A 39 39 SER HA H 39 4.499 4.726 -0.227 2
1 384 . 1 1 A 39 39 SER C C 39 174.576 174.294 0.282 2
1 385 . 1 1 A 39 39 SER CA C 39 58.389 58.295 0.094 2
1 386 . 1 1 A 39 39 SER CB C 39 64.005 64.056 -0.051 2
1 387 . 1 1 A 39 39 SER N N 39 116.775 119.844 -3.069 2
1 388 . 1 1 A 40 40 GLY H H 40 8.241 8.465 -0.224 2
1 389 . 1 1 A 40 40 GLY HA2 H 40 4.166 4.164 0.002 2
1 390 . 1 1 A 40 40 GLY HA3 H 40 4.077 4.167 -0.090 2
1 391 . 1 1 A 40 40 GLY C C 40 171.716 173.515 -1.799 2
1 392 . 1 1 A 40 40 GLY CA C 40 44.659 45.173 -0.514 2
1 393 . 1 1 A 40 40 GLY N N 40 110.604 112.031 -1.427 2
1 394 . 1 1 A 41 41 PRO HA H 41 4.486 4.567 -0.081 2
1 401 . 1 1 A 41 41 PRO C C 41 177.364 176.551 0.813 2
1 402 . 1 1 A 41 41 PRO CA C 41 63.199 63.358 -0.159 2
1 403 . 1 1 A 41 41 PRO CB C 41 32.225 31.941 0.284 2
1 406 . 1 1 A 42 42 SER H H 42 8.534 8.286 0.248 2
1 407 . 1 1 A 42 42 SER C C 42 174.655 173.979 0.676 2
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