data_10234_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10234
_Entry.PDB_ID 2YU8
_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 4.033 3.882 0.151 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.033 3.882 0.151 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.556 174.211 0.345 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.402 46.678 -1.276 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.151 7.988 0.163 1
1 6 . 1 1 1 A 8 8 THR HA H 8 4.379 4.568 -0.189 1
1 11 . 1 1 1 A 8 8 THR C C 8 175.289 174.468 0.821 1
1 12 . 1 1 1 A 8 8 THR CA C 8 61.888 60.738 1.150 1
1 13 . 1 1 1 A 8 8 THR CB C 8 69.800 70.015 -0.215 1
1 15 . 1 1 1 A 8 8 THR N N 8 112.871 114.857 -1.986 1
1 16 . 1 1 1 A 9 9 GLY H H 9 8.447 8.354 0.093 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 3.947 4.134 -0.187 1
1 18 . 1 1 1 A 9 9 GLY HA3 H 9 3.947 4.141 -0.194 1
1 19 . 1 1 1 A 9 9 GLY C C 9 174.028 174.328 -0.300 1
1 20 . 1 1 1 A 9 9 GLY CA C 9 45.270 44.802 0.468 1
1 21 . 1 1 1 A 9 9 GLY N N 9 111.093 116.071 -4.978 1
1 22 . 1 1 1 A 10 10 GLU H H 10 8.230 8.753 -0.523 1
1 23 . 1 1 1 A 10 10 GLU HA H 10 4.251 4.613 -0.362 1
1 28 . 1 1 1 A 10 10 GLU C C 10 176.261 174.770 1.491 1
1 29 . 1 1 1 A 10 10 GLU CA C 10 56.565 55.765 0.800 1
1 30 . 1 1 1 A 10 10 GLU CB C 10 30.519 30.869 -0.350 1
1 32 . 1 1 1 A 10 10 GLU N N 10 120.586 121.681 -1.095 1
1 33 . 1 1 1 A 11 11 LYS H H 11 8.317 7.415 0.902 1
1 34 . 1 1 1 A 11 11 LYS HA H 11 4.540 4.826 -0.286 1
1 43 . 1 1 1 A 11 11 LYS C C 11 174.000 176.153 -2.153 1
1 44 . 1 1 1 A 11 11 LYS CA C 11 53.865 53.127 0.738 1
1 45 . 1 1 1 A 11 11 LYS CB C 11 32.626 34.730 -2.104 1
1 49 . 1 1 1 A 11 11 LYS N N 11 122.992 117.917 5.075 1
1 50 . 1 1 1 A 12 12 PRO HA H 12 4.331 4.354 -0.023 1
1 57 . 1 1 1 A 12 12 PRO C C 12 176.455 175.751 0.704 1
1 58 . 1 1 1 A 12 12 PRO CA C 12 62.991 64.227 -1.236 1
1 59 . 1 1 1 A 12 12 PRO CB C 12 32.285 31.524 0.761 1
1 62 . 1 1 1 A 13 13 TYR H H 13 8.131 7.649 0.482 1
1 63 . 1 1 1 A 13 13 TYR HA H 13 4.607 4.918 -0.311 1
1 70 . 1 1 1 A 13 13 TYR C C 13 174.080 174.767 -0.687 1
1 71 . 1 1 1 A 13 13 TYR CA C 13 57.300 57.239 0.061 1
1 72 . 1 1 1 A 13 13 TYR CB C 13 38.140 39.049 -0.909 1
1 77 . 1 1 1 A 13 13 TYR N N 13 119.838 118.592 1.246 1
1 78 . 1 1 1 A 14 14 LYS H H 14 8.387 8.840 -0.453 1
1 79 . 1 1 1 A 14 14 LYS HA H 14 5.090 5.463 -0.373 1
1 88 . 1 1 1 A 14 14 LYS C C 14 175.193 175.346 -0.153 1
1 89 . 1 1 1 A 14 14 LYS CA C 14 54.801 54.891 -0.090 1
1 90 . 1 1 1 A 14 14 LYS CB C 14 36.002 36.717 -0.715 1
1 94 . 1 1 1 A 14 14 LYS N N 14 124.729 124.447 0.282 1
1 95 . 1 1 1 A 15 15 CYS H H 15 9.365 9.529 -0.164 1
1 96 . 1 1 1 A 15 15 CYS HA H 15 4.546 4.642 -0.096 1
1 99 . 1 1 1 A 15 15 CYS C C 15 176.812 175.847 0.965 1
1 100 . 1 1 1 A 15 15 CYS CA C 15 59.571 60.070 -0.499 1
1 101 . 1 1 1 A 15 15 CYS CB C 15 29.635 28.861 0.774 1
1 102 . 1 1 1 A 15 15 CYS N N 15 127.942 124.959 2.983 1
1 103 . 1 1 1 A 16 16 ASN HA H 16 4.528 4.927 -0.399 1
1 108 . 1 1 1 A 16 16 ASN C C 16 175.388 175.710 -0.322 1
1 109 . 1 1 1 A 16 16 ASN CA C 16 55.505 53.647 1.858 1
1 110 . 1 1 1 A 16 16 ASN CB C 16 38.303 38.465 -0.162 1
1 112 . 1 1 1 A 17 17 GLU H H 17 8.730 7.568 1.162 1
1 113 . 1 1 1 A 17 17 GLU HA H 17 4.205 4.330 -0.125 1
1 118 . 1 1 1 A 17 17 GLU C C 17 177.141 178.014 -0.873 1
1 119 . 1 1 1 A 17 17 GLU CA C 17 58.686 57.897 0.789 1
1 120 . 1 1 1 A 17 17 GLU CB C 17 29.296 30.546 -1.250 1
1 122 . 1 1 1 A 17 17 GLU N N 17 120.847 118.534 2.313 1
1 123 . 1 1 1 A 18 18 CYS H H 18 7.941 8.163 -0.222 1
1 124 . 1 1 1 A 18 18 CYS HA H 18 5.174 4.717 0.457 1
1 127 . 1 1 1 A 18 18 CYS C C 18 176.186 175.360 0.826 1
1 128 . 1 1 1 A 18 18 CYS CA C 18 58.326 59.700 -1.374 1
1 129 . 1 1 1 A 18 18 CYS CB C 18 32.423 30.066 2.357 1
1 130 . 1 1 1 A 18 18 CYS N N 18 114.765 115.049 -0.284 1
1 131 . 1 1 1 A 19 19 GLY H H 19 8.207 8.049 0.158 1
1 132 . 1 1 1 A 19 19 GLY HA2 H 19 3.735 4.071 -0.336 1
1 133 . 1 1 1 A 19 19 GLY HA3 H 19 4.246 4.079 0.167 1
1 134 . 1 1 1 A 19 19 GLY C C 19 173.563 174.027 -0.464 1
1 135 . 1 1 1 A 19 19 GLY CA C 19 46.287 45.323 0.964 1
1 136 . 1 1 1 A 19 19 GLY N N 19 113.536 110.212 3.324 1
1 137 . 1 1 1 A 20 20 LYS H H 20 7.904 7.803 0.101 1
1 138 . 1 1 1 A 20 20 LYS HA H 20 3.984 4.610 -0.626 1
1 147 . 1 1 1 A 20 20 LYS C C 20 174.306 175.675 -1.369 1
1 148 . 1 1 1 A 20 20 LYS CA C 20 58.283 54.153 4.130 1
1 149 . 1 1 1 A 20 20 LYS CB C 20 33.875 34.474 -0.599 1
1 153 . 1 1 1 A 20 20 LYS N N 20 122.594 118.759 3.835 1
1 154 . 1 1 1 A 21 21 VAL H H 21 7.635 8.186 -0.551 1
1 155 . 1 1 1 A 21 21 VAL HA H 21 4.756 5.083 -0.327 1
1 163 . 1 1 1 A 21 21 VAL C C 21 175.180 174.470 0.710 1
1 164 . 1 1 1 A 21 21 VAL CA C 21 60.394 60.361 0.033 1
1 165 . 1 1 1 A 21 21 VAL CB C 21 33.875 35.565 -1.690 1
1 168 . 1 1 1 A 21 21 VAL N N 21 117.274 120.359 -3.085 1
1 169 . 1 1 1 A 22 22 PHE H H 22 8.752 9.035 -0.283 1
1 170 . 1 1 1 A 22 22 PHE HA H 22 4.895 4.873 0.022 1
1 178 . 1 1 1 A 22 22 PHE C C 22 175.688 175.723 -0.035 1
1 179 . 1 1 1 A 22 22 PHE CA C 22 56.949 56.836 0.113 1
1 180 . 1 1 1 A 22 22 PHE CB C 22 43.525 43.525 0.000 1
1 186 . 1 1 1 A 22 22 PHE N N 22 121.527 123.656 -2.129 1
1 187 . 1 1 1 A 23 23 THR H H 23 9.516 8.796 0.720 1
1 188 . 1 1 1 A 23 23 THR HA H 23 4.572 4.391 0.181 1
1 193 . 1 1 1 A 23 23 THR C C 23 174.880 173.940 0.940 1
1 194 . 1 1 1 A 23 23 THR CA C 23 63.272 63.862 -0.590 1
1 195 . 1 1 1 A 23 23 THR CB C 23 69.636 69.965 -0.329 1
1 197 . 1 1 1 A 23 23 THR N N 23 111.253 117.126 -5.873 1
1 198 . 1 1 1 A 24 24 GLN H H 24 7.074 7.604 -0.530 1
1 199 . 1 1 1 A 24 24 GLN HA H 24 4.531 4.281 0.250 1
1 206 . 1 1 1 A 24 24 GLN C C 24 175.849 175.559 0.290 1
1 207 . 1 1 1 A 24 24 GLN CA C 24 54.002 53.682 0.320 1
1 208 . 1 1 1 A 24 24 GLN CB C 24 32.066 31.386 0.680 1
1 210 . 1 1 1 A 24 24 GLN N N 24 115.274 117.475 -2.201 1
1 212 . 1 1 1 A 25 25 ASN HA H 25 3.618 4.019 -0.401 1
1 217 . 1 1 1 A 25 25 ASN CA C 25 56.193 55.352 0.841 1
1 218 . 1 1 1 A 25 25 ASN CB C 25 38.289 38.306 -0.017 1
1 219 . 1 1 1 A 25 25 ASN N N 25 119.000 119.402 -0.402 1
1 221 . 1 1 1 A 26 26 SER HA H 26 4.045 4.092 -0.047 1
1 224 . 1 1 1 A 26 26 SER C C 26 177.179 176.996 0.183 1
1 225 . 1 1 1 A 26 26 SER CA C 26 60.858 61.428 -0.570 1
1 226 . 1 1 1 A 26 26 SER CB C 26 61.697 62.298 -0.601 1
1 227 . 1 1 1 A 26 26 SER N N 26 116.000 114.055 1.945 1
1 228 . 1 1 1 A 27 27 HIS H H 27 6.761 7.222 -0.461 1
1 229 . 1 1 1 A 27 27 HIS HA H 27 4.413 4.238 0.175 1
1 234 . 1 1 1 A 27 27 HIS C C 27 178.164 177.386 0.778 1
1 235 . 1 1 1 A 27 27 HIS CA C 27 57.067 59.175 -2.108 1
1 236 . 1 1 1 A 27 27 HIS CB C 27 31.815 30.238 1.577 1
1 239 . 1 1 1 A 27 27 HIS N N 27 121.682 118.769 2.913 1
1 240 . 1 1 1 A 28 28 LEU H H 28 6.960 7.703 -0.743 1
1 241 . 1 1 1 A 28 28 LEU HA H 28 3.190 2.900 0.290 1
1 251 . 1 1 1 A 28 28 LEU C C 28 177.255 178.035 -0.780 1
1 252 . 1 1 1 A 28 28 LEU CA C 28 57.687 57.042 0.645 1
1 253 . 1 1 1 A 28 28 LEU CB C 28 40.420 41.778 -1.358 1
1 257 . 1 1 1 A 28 28 LEU N N 28 122.330 120.989 1.341 1
1 258 . 1 1 1 A 29 29 ALA H H 29 8.293 8.567 -0.274 1
1 259 . 1 1 1 A 29 29 ALA HA H 29 3.936 3.925 0.011 1
1 263 . 1 1 1 A 29 29 ALA C C 29 180.550 179.731 0.819 1
1 264 . 1 1 1 A 29 29 ALA CA C 29 55.247 55.139 0.108 1
1 265 . 1 1 1 A 29 29 ALA CB C 29 17.769 18.183 -0.414 1
1 266 . 1 1 1 A 29 29 ALA N N 29 121.027 120.890 0.137 1
1 267 . 1 1 1 A 30 30 ARG H H 30 7.470 7.827 -0.357 1
1 268 . 1 1 1 A 30 30 ARG HA H 30 3.986 4.076 -0.090 1
1 275 . 1 1 1 A 30 30 ARG C C 30 178.649 178.539 0.110 1
1 276 . 1 1 1 A 30 30 ARG CA C 30 58.817 59.126 -0.309 1
1 277 . 1 1 1 A 30 30 ARG CB C 30 30.266 29.890 0.376 1
1 280 . 1 1 1 A 30 30 ARG N N 30 116.540 116.957 -0.417 1
1 281 . 1 1 1 A 31 31 HIS H H 31 7.639 7.903 -0.264 1
1 282 . 1 1 1 A 31 31 HIS HA H 31 4.238 4.300 -0.062 1
1 287 . 1 1 1 A 31 31 HIS C C 31 176.034 176.898 -0.864 1
1 288 . 1 1 1 A 31 31 HIS CA C 31 58.663 59.868 -1.205 1
1 289 . 1 1 1 A 31 31 HIS CB C 31 28.646 29.374 -0.728 1
1 292 . 1 1 1 A 31 31 HIS N N 31 119.387 120.295 -0.908 1
1 293 . 1 1 1 A 32 32 ARG H H 32 8.158 7.994 0.164 1
1 294 . 1 1 1 A 32 32 ARG HA H 32 3.677 3.864 -0.187 1
1 301 . 1 1 1 A 32 32 ARG C C 32 177.576 178.979 -1.403 1
1 302 . 1 1 1 A 32 32 ARG CA C 32 59.884 59.636 0.248 1
1 303 . 1 1 1 A 32 32 ARG CB C 32 29.827 29.992 -0.165 1
1 306 . 1 1 1 A 32 32 ARG N N 32 115.483 117.601 -2.118 1
1 307 . 1 1 1 A 33 33 ARG H H 33 7.069 7.780 -0.711 1
1 308 . 1 1 1 A 33 33 ARG HA H 33 4.130 3.969 0.161 1
1 315 . 1 1 1 A 33 33 ARG C C 33 178.283 178.625 -0.342 1
1 316 . 1 1 1 A 33 33 ARG CA C 33 58.201 59.165 -0.964 1
1 317 . 1 1 1 A 33 33 ARG CB C 33 29.938 29.805 0.133 1
1 320 . 1 1 1 A 33 33 ARG N N 33 116.839 119.682 -2.843 1
1 321 . 1 1 1 A 34 34 VAL H H 34 7.920 8.094 -0.174 1
1 322 . 1 1 1 A 34 34 VAL HA H 34 3.904 3.756 0.148 1
1 330 . 1 1 1 A 34 34 VAL C C 34 177.122 177.726 -0.604 1
1 331 . 1 1 1 A 34 34 VAL CA C 34 63.913 65.314 -1.401 1
1 332 . 1 1 1 A 34 34 VAL CB C 34 31.126 31.193 -0.067 1
1 335 . 1 1 1 A 34 34 VAL N N 34 116.036 117.299 -1.263 1
1 336 . 1 1 1 A 35 35 HIS H H 35 7.284 7.766 -0.482 1
1 337 . 1 1 1 A 35 35 HIS HA H 35 4.899 4.468 0.431 1
1 342 . 1 1 1 A 35 35 HIS C C 35 175.530 177.657 -2.127 1
1 343 . 1 1 1 A 35 35 HIS CA C 35 54.910 59.262 -4.352 1
1 344 . 1 1 1 A 35 35 HIS CB C 35 28.775 29.893 -1.118 1
1 347 . 1 1 1 A 35 35 HIS N N 35 117.360 120.660 -3.300 1
1 348 . 1 1 1 A 36 36 THR H H 36 7.787 7.794 -0.007 1
1 349 . 1 1 1 A 36 36 THR HA H 36 4.408 3.954 0.454 1
1 354 . 1 1 1 A 36 36 THR C C 36 175.489 174.538 0.951 1
1 355 . 1 1 1 A 36 36 THR CA C 36 62.176 65.719 -3.543 1
1 356 . 1 1 1 A 36 36 THR CB C 36 69.788 68.882 0.906 1
1 358 . 1 1 1 A 36 36 THR N N 36 111.920 113.329 -1.409 1
1 359 . 1 1 1 A 37 37 GLY H H 37 8.364 8.070 0.294 1
1 360 . 1 1 1 A 37 37 GLY HA2 H 37 3.990 4.332 -0.342 1
1 361 . 1 1 1 A 37 37 GLY HA3 H 37 3.990 4.335 -0.345 1
1 362 . 1 1 1 A 37 37 GLY C C 37 174.709 172.753 1.956 1
1 363 . 1 1 1 A 37 37 GLY CA C 37 45.510 44.740 0.770 1
1 364 . 1 1 1 A 37 37 GLY N N 37 111.087 107.516 3.571 1
1 365 . 1 1 1 A 38 38 GLY H H 38 8.279 8.533 -0.254 1
1 366 . 1 1 1 A 38 38 GLY HA2 H 38 3.940 4.198 -0.258 1
1 367 . 1 1 1 A 38 38 GLY HA3 H 38 3.940 4.213 -0.273 1
1 368 . 1 1 1 A 38 38 GLY C C 38 173.722 171.864 1.858 1
1 369 . 1 1 1 A 38 38 GLY CA C 38 45.104 45.818 -0.714 1
1 370 . 1 1 1 A 38 38 GLY N N 38 108.489 110.876 -2.387 1
1 371 . 1 1 1 A 39 39 LYS H H 39 8.134 8.611 -0.477 1
1 372 . 1 1 1 A 39 39 LYS HA H 39 4.631 4.931 -0.300 1
1 381 . 1 1 1 A 39 39 LYS C C 39 174.669 174.622 0.047 1
1 382 . 1 1 1 A 39 39 LYS CA C 39 54.141 53.032 1.109 1
1 383 . 1 1 1 A 39 39 LYS CB C 39 32.551 33.679 -1.128 1
1 387 . 1 1 1 A 39 39 LYS N N 39 121.858 122.360 -0.502 1
1 388 . 1 1 1 A 40 40 PRO HA H 40 4.469 4.591 -0.122 1
1 395 . 1 1 1 A 40 40 PRO CA C 40 63.236 62.336 0.900 1
1 396 . 1 1 1 A 40 40 PRO CB C 40 32.213 32.722 -0.509 1
1 399 . 1 1 1 A 42 42 GLY HA2 H 42 4.162 4.224 -0.062 1
1 400 . 1 1 1 A 42 42 GLY HA3 H 42 4.111 4.225 -0.114 1
1 401 . 1 1 1 A 42 42 GLY CA C 42 44.661 45.473 -0.812 1
1 402 . 1 1 1 A 43 43 PRO HA H 43 4.476 4.555 -0.079 1
1 409 . 1 1 1 A 43 43 PRO CA C 43 63.406 62.500 0.906 1
1 410 . 1 1 1 A 43 43 PRO CB C 43 32.308 32.911 -0.603 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 4.033 3.888 0.145 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.033 3.890 0.143 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.556 172.957 1.599 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.402 46.038 -0.636 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.151 8.720 -0.569 1
1 6 . 2 1 1 A 8 8 THR HA H 8 4.379 4.627 -0.248 1
1 11 . 2 1 1 A 8 8 THR C C 8 175.289 175.019 0.270 1
1 12 . 2 1 1 A 8 8 THR CA C 8 61.888 60.557 1.331 1
1 13 . 2 1 1 A 8 8 THR CB C 8 69.800 70.353 -0.553 1
1 15 . 2 1 1 A 8 8 THR N N 8 112.871 120.793 -7.922 1
1 16 . 2 1 1 A 9 9 GLY H H 9 8.447 8.724 -0.277 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 3.947 3.887 0.060 1
1 18 . 2 1 1 A 9 9 GLY HA3 H 9 3.947 3.890 0.057 1
1 19 . 2 1 1 A 9 9 GLY C C 9 174.028 175.574 -1.546 1
1 20 . 2 1 1 A 9 9 GLY CA C 9 45.270 46.950 -1.680 1
1 21 . 2 1 1 A 9 9 GLY N N 9 111.093 116.404 -5.311 1
1 22 . 2 1 1 A 10 10 GLU H H 10 8.230 8.384 -0.154 1
1 23 . 2 1 1 A 10 10 GLU HA H 10 4.251 4.207 0.044 1
1 28 . 2 1 1 A 10 10 GLU C C 10 176.261 175.280 0.981 1
1 29 . 2 1 1 A 10 10 GLU CA C 10 56.565 56.397 0.168 1
1 30 . 2 1 1 A 10 10 GLU CB C 10 30.519 28.526 1.993 1
1 32 . 2 1 1 A 10 10 GLU N N 10 120.586 119.572 1.014 1
1 33 . 2 1 1 A 11 11 LYS H H 11 8.317 7.377 0.940 1
1 34 . 2 1 1 A 11 11 LYS HA H 11 4.540 4.879 -0.339 1
1 43 . 2 1 1 A 11 11 LYS C C 11 174.000 176.263 -2.263 1
1 44 . 2 1 1 A 11 11 LYS CA C 11 53.865 53.038 0.827 1
1 45 . 2 1 1 A 11 11 LYS CB C 11 32.626 34.725 -2.099 1
1 49 . 2 1 1 A 11 11 LYS N N 11 122.992 119.195 3.797 1
1 50 . 2 1 1 A 12 12 PRO HA H 12 4.331 4.308 0.023 1
1 57 . 2 1 1 A 12 12 PRO C C 12 176.455 175.910 0.545 1
1 58 . 2 1 1 A 12 12 PRO CA C 12 62.991 64.541 -1.550 1
1 59 . 2 1 1 A 12 12 PRO CB C 12 32.285 31.817 0.468 1
1 62 . 2 1 1 A 13 13 TYR H H 13 8.131 7.768 0.363 1
1 63 . 2 1 1 A 13 13 TYR HA H 13 4.607 4.808 -0.201 1
1 70 . 2 1 1 A 13 13 TYR C C 13 174.080 174.719 -0.639 1
1 71 . 2 1 1 A 13 13 TYR CA C 13 57.300 57.554 -0.254 1
1 72 . 2 1 1 A 13 13 TYR CB C 13 38.140 38.995 -0.855 1
1 77 . 2 1 1 A 13 13 TYR N N 13 119.838 117.953 1.885 1
1 78 . 2 1 1 A 14 14 LYS H H 14 8.387 8.816 -0.429 1
1 79 . 2 1 1 A 14 14 LYS HA H 14 5.090 5.338 -0.248 1
1 88 . 2 1 1 A 14 14 LYS C C 14 175.193 175.570 -0.377 1
1 89 . 2 1 1 A 14 14 LYS CA C 14 54.801 54.694 0.107 1
1 90 . 2 1 1 A 14 14 LYS CB C 14 36.002 36.559 -0.557 1
1 94 . 2 1 1 A 14 14 LYS N N 14 124.729 124.633 0.096 1
1 95 . 2 1 1 A 15 15 CYS H H 15 9.365 9.446 -0.081 1
1 96 . 2 1 1 A 15 15 CYS HA H 15 4.546 4.623 -0.077 1
1 99 . 2 1 1 A 15 15 CYS C C 15 176.812 176.324 0.488 1
1 100 . 2 1 1 A 15 15 CYS CA C 15 59.571 60.107 -0.536 1
1 101 . 2 1 1 A 15 15 CYS CB C 15 29.635 28.793 0.842 1
1 102 . 2 1 1 A 15 15 CYS N N 15 127.942 124.968 2.974 1
1 103 . 2 1 1 A 16 16 ASN HA H 16 4.528 5.000 -0.472 1
1 108 . 2 1 1 A 16 16 ASN C C 16 175.388 176.296 -0.908 1
1 109 . 2 1 1 A 16 16 ASN CA C 16 55.505 52.474 3.031 1
1 110 . 2 1 1 A 16 16 ASN CB C 16 38.303 38.708 -0.405 1
1 112 . 2 1 1 A 17 17 GLU H H 17 8.730 7.928 0.802 1
1 113 . 2 1 1 A 17 17 GLU HA H 17 4.205 4.289 -0.084 1
1 118 . 2 1 1 A 17 17 GLU C C 17 177.141 178.089 -0.948 1
1 119 . 2 1 1 A 17 17 GLU CA C 17 58.686 57.624 1.062 1
1 120 . 2 1 1 A 17 17 GLU CB C 17 29.296 30.304 -1.008 1
1 122 . 2 1 1 A 17 17 GLU N N 17 120.847 119.533 1.314 1
1 123 . 2 1 1 A 18 18 CYS H H 18 7.941 8.168 -0.227 1
1 124 . 2 1 1 A 18 18 CYS HA H 18 5.174 4.761 0.413 1
1 127 . 2 1 1 A 18 18 CYS C C 18 176.186 175.424 0.762 1
1 128 . 2 1 1 A 18 18 CYS CA C 18 58.326 59.673 -1.347 1
1 129 . 2 1 1 A 18 18 CYS CB C 18 32.423 30.078 2.345 1
1 130 . 2 1 1 A 18 18 CYS N N 18 114.765 115.010 -0.245 1
1 131 . 2 1 1 A 19 19 GLY H H 19 8.207 8.090 0.117 1
1 132 . 2 1 1 A 19 19 GLY HA2 H 19 3.735 4.079 -0.344 1
1 133 . 2 1 1 A 19 19 GLY HA3 H 19 4.246 4.085 0.161 1
1 134 . 2 1 1 A 19 19 GLY C C 19 173.563 174.180 -0.617 1
1 135 . 2 1 1 A 19 19 GLY CA C 19 46.287 45.230 1.057 1
1 136 . 2 1 1 A 19 19 GLY N N 19 113.536 110.311 3.225 1
1 137 . 2 1 1 A 20 20 LYS H H 20 7.904 7.974 -0.070 1
1 138 . 2 1 1 A 20 20 LYS HA H 20 3.984 4.567 -0.583 1
1 147 . 2 1 1 A 20 20 LYS C C 20 174.306 175.599 -1.293 1
1 148 . 2 1 1 A 20 20 LYS CA C 20 58.283 54.788 3.495 1
1 149 . 2 1 1 A 20 20 LYS CB C 20 33.875 34.262 -0.387 1
1 153 . 2 1 1 A 20 20 LYS N N 20 122.594 119.034 3.560 1
1 154 . 2 1 1 A 21 21 VAL H H 21 7.635 8.089 -0.454 1
1 155 . 2 1 1 A 21 21 VAL HA H 21 4.756 5.040 -0.284 1
1 163 . 2 1 1 A 21 21 VAL C C 21 175.180 174.010 1.170 1
1 164 . 2 1 1 A 21 21 VAL CA C 21 60.394 60.041 0.353 1
1 165 . 2 1 1 A 21 21 VAL CB C 21 33.875 35.827 -1.952 1
1 168 . 2 1 1 A 21 21 VAL N N 21 117.274 119.597 -2.323 1
1 169 . 2 1 1 A 22 22 PHE H H 22 8.752 8.972 -0.220 1
1 170 . 2 1 1 A 22 22 PHE HA H 22 4.895 4.993 -0.098 1
1 178 . 2 1 1 A 22 22 PHE C C 22 175.688 175.382 0.306 1
1 179 . 2 1 1 A 22 22 PHE CA C 22 56.949 56.321 0.628 1
1 180 . 2 1 1 A 22 22 PHE CB C 22 43.525 43.598 -0.073 1
1 186 . 2 1 1 A 22 22 PHE N N 22 121.527 123.613 -2.086 1
1 187 . 2 1 1 A 23 23 THR H H 23 9.516 8.716 0.800 1
1 188 . 2 1 1 A 23 23 THR HA H 23 4.572 4.368 0.204 1
1 193 . 2 1 1 A 23 23 THR C C 23 174.880 173.577 1.303 1
1 194 . 2 1 1 A 23 23 THR CA C 23 63.272 64.066 -0.794 1
1 195 . 2 1 1 A 23 23 THR CB C 23 69.636 69.865 -0.229 1
1 197 . 2 1 1 A 23 23 THR N N 23 111.253 116.070 -4.817 1
1 198 . 2 1 1 A 24 24 GLN H H 24 7.074 7.429 -0.355 1
1 199 . 2 1 1 A 24 24 GLN HA H 24 4.531 3.990 0.541 1
1 206 . 2 1 1 A 24 24 GLN C C 24 175.849 175.547 0.302 1
1 207 . 2 1 1 A 24 24 GLN CA C 24 54.002 53.703 0.299 1
1 208 . 2 1 1 A 24 24 GLN CB C 24 32.066 30.906 1.160 1
1 210 . 2 1 1 A 24 24 GLN N N 24 115.274 117.256 -1.982 1
1 212 . 2 1 1 A 25 25 ASN HA H 25 3.618 4.314 -0.696 1
1 217 . 2 1 1 A 25 25 ASN CA C 25 56.193 56.393 -0.200 1
1 218 . 2 1 1 A 25 25 ASN CB C 25 38.289 38.722 -0.433 1
1 219 . 2 1 1 A 25 25 ASN N N 25 119.000 122.038 -3.038 1
1 221 . 2 1 1 A 26 26 SER HA H 26 4.045 4.126 -0.081 1
1 224 . 2 1 1 A 26 26 SER C C 26 177.179 176.779 0.400 1
1 225 . 2 1 1 A 26 26 SER CA C 26 60.858 62.305 -1.447 1
1 226 . 2 1 1 A 26 26 SER CB C 26 61.697 62.626 -0.929 1
1 227 . 2 1 1 A 26 26 SER N N 26 116.000 116.059 -0.059 1
1 228 . 2 1 1 A 27 27 HIS H H 27 6.761 8.302 -1.541 1
1 229 . 2 1 1 A 27 27 HIS HA H 27 4.413 4.342 0.071 1
1 234 . 2 1 1 A 27 27 HIS C C 27 178.164 177.521 0.643 1
1 235 . 2 1 1 A 27 27 HIS CA C 27 57.067 58.541 -1.474 1
1 236 . 2 1 1 A 27 27 HIS CB C 27 31.815 29.619 2.196 1
1 239 . 2 1 1 A 27 27 HIS N N 27 121.682 119.222 2.460 1
1 240 . 2 1 1 A 28 28 LEU H H 28 6.960 8.179 -1.219 1
1 241 . 2 1 1 A 28 28 LEU HA H 28 3.190 3.148 0.042 1
1 251 . 2 1 1 A 28 28 LEU C C 28 177.255 178.420 -1.165 1
1 252 . 2 1 1 A 28 28 LEU CA C 28 57.687 56.991 0.696 1
1 253 . 2 1 1 A 28 28 LEU CB C 28 40.420 41.817 -1.397 1
1 257 . 2 1 1 A 28 28 LEU N N 28 122.330 120.828 1.502 1
1 258 . 2 1 1 A 29 29 ALA H H 29 8.293 8.109 0.184 1
1 259 . 2 1 1 A 29 29 ALA HA H 29 3.936 4.034 -0.098 1
1 263 . 2 1 1 A 29 29 ALA C C 29 180.550 179.806 0.744 1
1 264 . 2 1 1 A 29 29 ALA CA C 29 55.247 54.998 0.249 1
1 265 . 2 1 1 A 29 29 ALA CB C 29 17.769 18.081 -0.312 1
1 266 . 2 1 1 A 29 29 ALA N N 29 121.027 120.886 0.141 1
1 267 . 2 1 1 A 30 30 ARG H H 30 7.470 8.223 -0.753 1
1 268 . 2 1 1 A 30 30 ARG HA H 30 3.986 4.123 -0.137 1
1 275 . 2 1 1 A 30 30 ARG C C 30 178.649 178.305 0.344 1
1 276 . 2 1 1 A 30 30 ARG CA C 30 58.817 58.618 0.199 1
1 277 . 2 1 1 A 30 30 ARG CB C 30 30.266 30.024 0.242 1
1 280 . 2 1 1 A 30 30 ARG N N 30 116.540 117.078 -0.538 1
1 281 . 2 1 1 A 31 31 HIS H H 31 7.639 7.675 -0.036 1
1 282 . 2 1 1 A 31 31 HIS HA H 31 4.238 4.225 0.013 1
1 287 . 2 1 1 A 31 31 HIS C C 31 176.034 177.498 -1.464 1
1 288 . 2 1 1 A 31 31 HIS CA C 31 58.663 59.598 -0.935 1
1 289 . 2 1 1 A 31 31 HIS CB C 31 28.646 29.941 -1.295 1
1 292 . 2 1 1 A 31 31 HIS N N 31 119.387 120.214 -0.827 1
1 293 . 2 1 1 A 32 32 ARG H H 32 8.158 8.002 0.156 1
1 294 . 2 1 1 A 32 32 ARG HA H 32 3.677 3.948 -0.271 1
1 301 . 2 1 1 A 32 32 ARG C C 32 177.576 179.077 -1.501 1
1 302 . 2 1 1 A 32 32 ARG CA C 32 59.884 59.357 0.527 1
1 303 . 2 1 1 A 32 32 ARG CB C 32 29.827 29.900 -0.073 1
1 306 . 2 1 1 A 32 32 ARG N N 32 115.483 117.637 -2.154 1
1 307 . 2 1 1 A 33 33 ARG H H 33 7.069 7.951 -0.882 1
1 308 . 2 1 1 A 33 33 ARG HA H 33 4.130 4.040 0.090 1
1 315 . 2 1 1 A 33 33 ARG C C 33 178.283 178.933 -0.650 1
1 316 . 2 1 1 A 33 33 ARG CA C 33 58.201 59.131 -0.930 1
1 317 . 2 1 1 A 33 33 ARG CB C 33 29.938 29.727 0.211 1
1 320 . 2 1 1 A 33 33 ARG N N 33 116.839 119.671 -2.832 1
1 321 . 2 1 1 A 34 34 VAL H H 34 7.920 8.028 -0.108 1
1 322 . 2 1 1 A 34 34 VAL HA H 34 3.904 3.735 0.169 1
1 330 . 2 1 1 A 34 34 VAL C C 34 177.122 177.536 -0.414 1
1 331 . 2 1 1 A 34 34 VAL CA C 34 63.913 65.251 -1.338 1
1 332 . 2 1 1 A 34 34 VAL CB C 34 31.126 31.144 -0.018 1
1 335 . 2 1 1 A 34 34 VAL N N 34 116.036 117.410 -1.374 1
1 336 . 2 1 1 A 35 35 HIS H H 35 7.284 7.551 -0.267 1
1 337 . 2 1 1 A 35 35 HIS HA H 35 4.899 4.412 0.487 1
1 342 . 2 1 1 A 35 35 HIS C C 35 175.530 176.479 -0.949 1
1 343 . 2 1 1 A 35 35 HIS CA C 35 54.910 58.783 -3.873 1
1 344 . 2 1 1 A 35 35 HIS CB C 35 28.775 31.097 -2.322 1
1 347 . 2 1 1 A 35 35 HIS N N 35 117.360 120.226 -2.866 1
1 348 . 2 1 1 A 36 36 THR H H 36 7.787 7.548 0.239 1
1 349 . 2 1 1 A 36 36 THR HA H 36 4.408 4.405 0.003 1
1 354 . 2 1 1 A 36 36 THR C C 36 175.489 175.281 0.208 1
1 355 . 2 1 1 A 36 36 THR CA C 36 62.176 61.206 0.970 1
1 356 . 2 1 1 A 36 36 THR CB C 36 69.788 68.692 1.096 1
1 358 . 2 1 1 A 36 36 THR N N 36 111.920 111.494 0.426 1
1 359 . 2 1 1 A 37 37 GLY H H 37 8.364 8.054 0.310 1
1 360 . 2 1 1 A 37 37 GLY HA2 H 37 3.990 4.060 -0.070 1
1 361 . 2 1 1 A 37 37 GLY HA3 H 37 3.990 4.070 -0.080 1
1 362 . 2 1 1 A 37 37 GLY C C 37 174.709 174.494 0.215 1
1 363 . 2 1 1 A 37 37 GLY CA C 37 45.510 45.885 -0.375 1
1 364 . 2 1 1 A 37 37 GLY N N 37 111.087 111.403 -0.316 1
1 365 . 2 1 1 A 38 38 GLY H H 38 8.279 8.458 -0.179 1
1 366 . 2 1 1 A 38 38 GLY HA2 H 38 3.940 3.973 -0.033 1
1 367 . 2 1 1 A 38 38 GLY HA3 H 38 3.940 3.976 -0.036 1
1 368 . 2 1 1 A 38 38 GLY C C 38 173.722 172.692 1.030 1
1 369 . 2 1 1 A 38 38 GLY CA C 38 45.104 45.077 0.027 1
1 370 . 2 1 1 A 38 38 GLY N N 38 108.489 109.092 -0.603 1
1 371 . 2 1 1 A 39 39 LYS H H 39 8.134 8.360 -0.226 1
1 372 . 2 1 1 A 39 39 LYS HA H 39 4.631 4.864 -0.233 1
1 381 . 2 1 1 A 39 39 LYS C C 39 174.669 174.231 0.438 1
1 382 . 2 1 1 A 39 39 LYS CA C 39 54.141 53.069 1.072 1
1 383 . 2 1 1 A 39 39 LYS CB C 39 32.551 34.352 -1.801 1
1 387 . 2 1 1 A 39 39 LYS N N 39 121.858 118.900 2.958 1
1 388 . 2 1 1 A 40 40 PRO HA H 40 4.469 4.790 -0.321 1
1 395 . 2 1 1 A 40 40 PRO CA C 40 63.236 62.670 0.566 1
1 396 . 2 1 1 A 40 40 PRO CB C 40 32.213 31.922 0.291 1
1 399 . 2 1 1 A 42 42 GLY HA2 H 42 4.162 4.217 -0.055 1
1 400 . 2 1 1 A 42 42 GLY HA3 H 42 4.111 4.218 -0.107 1
1 401 . 2 1 1 A 42 42 GLY CA C 42 44.661 45.509 -0.848 1
1 402 . 2 1 1 A 43 43 PRO HA H 43 4.476 4.512 -0.036 1
1 409 . 2 1 1 A 43 43 PRO CA C 43 63.406 62.460 0.946 1
1 410 . 2 1 1 A 43 43 PRO CB C 43 32.308 33.184 -0.876 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 4.033 4.195 -0.162 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.033 4.199 -0.166 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.556 174.534 0.022 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.402 44.691 0.711 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.151 8.680 -0.529 1
1 6 . 3 1 1 A 8 8 THR HA H 8 4.379 4.432 -0.053 1
1 11 . 3 1 1 A 8 8 THR C C 8 175.289 174.732 0.557 1
1 12 . 3 1 1 A 8 8 THR CA C 8 61.888 61.728 0.160 1
1 13 . 3 1 1 A 8 8 THR CB C 8 69.800 70.069 -0.269 1
1 15 . 3 1 1 A 8 8 THR N N 8 112.871 115.953 -3.082 1
1 16 . 3 1 1 A 9 9 GLY H H 9 8.447 8.847 -0.400 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 3.947 3.938 0.009 1
1 18 . 3 1 1 A 9 9 GLY HA3 H 9 3.947 3.942 0.005 1
1 19 . 3 1 1 A 9 9 GLY C C 9 174.028 174.200 -0.172 1
1 20 . 3 1 1 A 9 9 GLY CA C 9 45.270 46.486 -1.216 1
1 21 . 3 1 1 A 9 9 GLY N N 9 111.093 111.283 -0.190 1
1 22 . 3 1 1 A 10 10 GLU H H 10 8.230 8.284 -0.054 1
1 23 . 3 1 1 A 10 10 GLU HA H 10 4.251 4.243 0.008 1
1 28 . 3 1 1 A 10 10 GLU C C 10 176.261 176.367 -0.106 1
1 29 . 3 1 1 A 10 10 GLU CA C 10 56.565 56.790 -0.225 1
1 30 . 3 1 1 A 10 10 GLU CB C 10 30.519 30.435 0.084 1
1 32 . 3 1 1 A 10 10 GLU N N 10 120.586 123.064 -2.478 1
1 33 . 3 1 1 A 11 11 LYS H H 11 8.317 8.997 -0.680 1
1 34 . 3 1 1 A 11 11 LYS HA H 11 4.540 4.651 -0.111 1
1 43 . 3 1 1 A 11 11 LYS C C 11 174.000 176.408 -2.408 1
1 44 . 3 1 1 A 11 11 LYS CA C 11 53.865 53.761 0.104 1
1 45 . 3 1 1 A 11 11 LYS CB C 11 32.626 32.283 0.343 1
1 49 . 3 1 1 A 11 11 LYS N N 11 122.992 125.699 -2.707 1
1 50 . 3 1 1 A 12 12 PRO HA H 12 4.331 4.360 -0.029 1
1 57 . 3 1 1 A 12 12 PRO C C 12 176.455 175.781 0.674 1
1 58 . 3 1 1 A 12 12 PRO CA C 12 62.991 64.477 -1.486 1
1 59 . 3 1 1 A 12 12 PRO CB C 12 32.285 31.556 0.729 1
1 62 . 3 1 1 A 13 13 TYR H H 13 8.131 7.786 0.345 1
1 63 . 3 1 1 A 13 13 TYR HA H 13 4.607 4.834 -0.227 1
1 70 . 3 1 1 A 13 13 TYR C C 13 174.080 174.645 -0.565 1
1 71 . 3 1 1 A 13 13 TYR CA C 13 57.300 57.243 0.057 1
1 72 . 3 1 1 A 13 13 TYR CB C 13 38.140 38.513 -0.373 1
1 77 . 3 1 1 A 13 13 TYR N N 13 119.838 118.036 1.802 1
1 78 . 3 1 1 A 14 14 LYS H H 14 8.387 8.834 -0.447 1
1 79 . 3 1 1 A 14 14 LYS HA H 14 5.090 5.480 -0.390 1
1 88 . 3 1 1 A 14 14 LYS C C 14 175.193 175.540 -0.347 1
1 89 . 3 1 1 A 14 14 LYS CA C 14 54.801 54.740 0.061 1
1 90 . 3 1 1 A 14 14 LYS CB C 14 36.002 36.419 -0.417 1
1 94 . 3 1 1 A 14 14 LYS N N 14 124.729 125.268 -0.539 1
1 95 . 3 1 1 A 15 15 CYS H H 15 9.365 9.468 -0.103 1
1 96 . 3 1 1 A 15 15 CYS HA H 15 4.546 4.620 -0.074 1
1 99 . 3 1 1 A 15 15 CYS C C 15 176.812 176.968 -0.156 1
1 100 . 3 1 1 A 15 15 CYS CA C 15 59.571 59.943 -0.372 1
1 101 . 3 1 1 A 15 15 CYS CB C 15 29.635 28.236 1.399 1
1 102 . 3 1 1 A 15 15 CYS N N 15 127.942 125.153 2.789 1
1 103 . 3 1 1 A 16 16 ASN HA H 16 4.528 4.696 -0.168 1
1 108 . 3 1 1 A 16 16 ASN C C 16 175.388 177.448 -2.060 1
1 109 . 3 1 1 A 16 16 ASN CA C 16 55.505 54.390 1.115 1
1 110 . 3 1 1 A 16 16 ASN CB C 16 38.303 38.566 -0.263 1
1 112 . 3 1 1 A 17 17 GLU H H 17 8.730 7.584 1.146 1
1 113 . 3 1 1 A 17 17 GLU HA H 17 4.205 3.912 0.293 1
1 118 . 3 1 1 A 17 17 GLU C C 17 177.141 178.119 -0.978 1
1 119 . 3 1 1 A 17 17 GLU CA C 17 58.686 58.923 -0.237 1
1 120 . 3 1 1 A 17 17 GLU CB C 17 29.296 28.939 0.357 1
1 122 . 3 1 1 A 17 17 GLU N N 17 120.847 119.781 1.066 1
1 123 . 3 1 1 A 18 18 CYS H H 18 7.941 8.026 -0.085 1
1 124 . 3 1 1 A 18 18 CYS HA H 18 5.174 4.770 0.404 1
1 127 . 3 1 1 A 18 18 CYS C C 18 176.186 175.422 0.764 1
1 128 . 3 1 1 A 18 18 CYS CA C 18 58.326 59.638 -1.312 1
1 129 . 3 1 1 A 18 18 CYS CB C 18 32.423 30.134 2.289 1
1 130 . 3 1 1 A 18 18 CYS N N 18 114.765 114.870 -0.105 1
1 131 . 3 1 1 A 19 19 GLY H H 19 8.207 8.088 0.119 1
1 132 . 3 1 1 A 19 19 GLY HA2 H 19 3.735 4.081 -0.346 1
1 133 . 3 1 1 A 19 19 GLY HA3 H 19 4.246 4.090 0.156 1
1 134 . 3 1 1 A 19 19 GLY C C 19 173.563 174.316 -0.753 1
1 135 . 3 1 1 A 19 19 GLY CA C 19 46.287 45.234 1.053 1
1 136 . 3 1 1 A 19 19 GLY N N 19 113.536 109.931 3.605 1
1 137 . 3 1 1 A 20 20 LYS H H 20 7.904 7.917 -0.013 1
1 138 . 3 1 1 A 20 20 LYS HA H 20 3.984 4.530 -0.546 1
1 147 . 3 1 1 A 20 20 LYS C C 20 174.306 175.472 -1.166 1
1 148 . 3 1 1 A 20 20 LYS CA C 20 58.283 55.187 3.096 1
1 149 . 3 1 1 A 20 20 LYS CB C 20 33.875 34.338 -0.463 1
1 153 . 3 1 1 A 20 20 LYS N N 20 122.594 119.141 3.453 1
1 154 . 3 1 1 A 21 21 VAL H H 21 7.635 7.962 -0.327 1
1 155 . 3 1 1 A 21 21 VAL HA H 21 4.756 5.082 -0.326 1
1 163 . 3 1 1 A 21 21 VAL C C 21 175.180 174.157 1.023 1
1 164 . 3 1 1 A 21 21 VAL CA C 21 60.394 60.166 0.228 1
1 165 . 3 1 1 A 21 21 VAL CB C 21 33.875 36.159 -2.284 1
1 168 . 3 1 1 A 21 21 VAL N N 21 117.274 119.750 -2.476 1
1 169 . 3 1 1 A 22 22 PHE H H 22 8.752 9.106 -0.354 1
1 170 . 3 1 1 A 22 22 PHE HA H 22 4.895 4.982 -0.087 1
1 178 . 3 1 1 A 22 22 PHE C C 22 175.688 175.564 0.124 1
1 179 . 3 1 1 A 22 22 PHE CA C 22 56.949 56.340 0.609 1
1 180 . 3 1 1 A 22 22 PHE CB C 22 43.525 43.509 0.016 1
1 186 . 3 1 1 A 22 22 PHE N N 22 121.527 123.881 -2.354 1
1 187 . 3 1 1 A 23 23 THR H H 23 9.516 8.848 0.668 1
1 188 . 3 1 1 A 23 23 THR HA H 23 4.572 4.433 0.139 1
1 193 . 3 1 1 A 23 23 THR C C 23 174.880 173.895 0.985 1
1 194 . 3 1 1 A 23 23 THR CA C 23 63.272 63.634 -0.362 1
1 195 . 3 1 1 A 23 23 THR CB C 23 69.636 70.007 -0.371 1
1 197 . 3 1 1 A 23 23 THR N N 23 111.253 116.174 -4.921 1
1 198 . 3 1 1 A 24 24 GLN H H 24 7.074 7.507 -0.433 1
1 199 . 3 1 1 A 24 24 GLN HA H 24 4.531 4.175 0.356 1
1 206 . 3 1 1 A 24 24 GLN C C 24 175.849 175.430 0.419 1
1 207 . 3 1 1 A 24 24 GLN CA C 24 54.002 53.687 0.315 1
1 208 . 3 1 1 A 24 24 GLN CB C 24 32.066 31.763 0.303 1
1 210 . 3 1 1 A 24 24 GLN N N 24 115.274 117.882 -2.608 1
1 212 . 3 1 1 A 25 25 ASN HA H 25 3.618 4.227 -0.609 1
1 217 . 3 1 1 A 25 25 ASN CA C 25 56.193 55.895 0.298 1
1 218 . 3 1 1 A 25 25 ASN CB C 25 38.289 37.514 0.775 1
1 219 . 3 1 1 A 25 25 ASN N N 25 119.000 120.194 -1.194 1
1 221 . 3 1 1 A 26 26 SER HA H 26 4.045 4.013 0.032 1
1 224 . 3 1 1 A 26 26 SER C C 26 177.179 177.072 0.107 1
1 225 . 3 1 1 A 26 26 SER CA C 26 60.858 61.710 -0.852 1
1 226 . 3 1 1 A 26 26 SER CB C 26 61.697 62.859 -1.162 1
1 227 . 3 1 1 A 26 26 SER N N 26 116.000 114.501 1.499 1
1 228 . 3 1 1 A 27 27 HIS H H 27 6.761 8.014 -1.253 1
1 229 . 3 1 1 A 27 27 HIS HA H 27 4.413 4.172 0.241 1
1 234 . 3 1 1 A 27 27 HIS C C 27 178.164 177.127 1.037 1
1 235 . 3 1 1 A 27 27 HIS CA C 27 57.067 58.887 -1.820 1
1 236 . 3 1 1 A 27 27 HIS CB C 27 31.815 29.950 1.865 1
1 239 . 3 1 1 A 27 27 HIS N N 27 121.682 118.748 2.934 1
1 240 . 3 1 1 A 28 28 LEU H H 28 6.960 7.748 -0.788 1
1 241 . 3 1 1 A 28 28 LEU HA H 28 3.190 2.635 0.555 1
1 251 . 3 1 1 A 28 28 LEU C C 28 177.255 177.923 -0.668 1
1 252 . 3 1 1 A 28 28 LEU CA C 28 57.687 57.510 0.177 1
1 253 . 3 1 1 A 28 28 LEU CB C 28 40.420 41.215 -0.795 1
1 257 . 3 1 1 A 28 28 LEU N N 28 122.330 120.009 2.321 1
1 258 . 3 1 1 A 29 29 ALA H H 29 8.293 8.465 -0.172 1
1 259 . 3 1 1 A 29 29 ALA HA H 29 3.936 3.932 0.004 1
1 263 . 3 1 1 A 29 29 ALA C C 29 180.550 179.682 0.868 1
1 264 . 3 1 1 A 29 29 ALA CA C 29 55.247 55.683 -0.436 1
1 265 . 3 1 1 A 29 29 ALA CB C 29 17.769 18.248 -0.479 1
1 266 . 3 1 1 A 29 29 ALA N N 29 121.027 120.720 0.307 1
1 267 . 3 1 1 A 30 30 ARG H H 30 7.470 7.794 -0.324 1
1 268 . 3 1 1 A 30 30 ARG HA H 30 3.986 3.976 0.010 1
1 275 . 3 1 1 A 30 30 ARG C C 30 178.649 178.474 0.175 1
1 276 . 3 1 1 A 30 30 ARG CA C 30 58.817 59.288 -0.471 1
1 277 . 3 1 1 A 30 30 ARG CB C 30 30.266 30.061 0.205 1
1 280 . 3 1 1 A 30 30 ARG N N 30 116.540 117.692 -1.152 1
1 281 . 3 1 1 A 31 31 HIS H H 31 7.639 8.043 -0.404 1
1 282 . 3 1 1 A 31 31 HIS HA H 31 4.238 4.101 0.137 1
1 287 . 3 1 1 A 31 31 HIS C C 31 176.034 176.564 -0.530 1
1 288 . 3 1 1 A 31 31 HIS CA C 31 58.663 59.962 -1.299 1
1 289 . 3 1 1 A 31 31 HIS CB C 31 28.646 29.763 -1.117 1
1 292 . 3 1 1 A 31 31 HIS N N 31 119.387 119.605 -0.218 1
1 293 . 3 1 1 A 32 32 ARG H H 32 8.158 8.068 0.090 1
1 294 . 3 1 1 A 32 32 ARG HA H 32 3.677 3.837 -0.160 1
1 301 . 3 1 1 A 32 32 ARG C C 32 177.576 178.918 -1.342 1
1 302 . 3 1 1 A 32 32 ARG CA C 32 59.884 59.719 0.165 1
1 303 . 3 1 1 A 32 32 ARG CB C 32 29.827 29.982 -0.155 1
1 306 . 3 1 1 A 32 32 ARG N N 32 115.483 116.888 -1.405 1
1 307 . 3 1 1 A 33 33 ARG H H 33 7.069 8.438 -1.369 1
1 308 . 3 1 1 A 33 33 ARG HA H 33 4.130 4.069 0.061 1
1 315 . 3 1 1 A 33 33 ARG C C 33 178.283 178.543 -0.260 1
1 316 . 3 1 1 A 33 33 ARG CA C 33 58.201 59.087 -0.886 1
1 317 . 3 1 1 A 33 33 ARG CB C 33 29.938 29.792 0.146 1
1 320 . 3 1 1 A 33 33 ARG N N 33 116.839 119.919 -3.080 1
1 321 . 3 1 1 A 34 34 VAL H H 34 7.920 8.199 -0.279 1
1 322 . 3 1 1 A 34 34 VAL HA H 34 3.904 3.745 0.159 1
1 330 . 3 1 1 A 34 34 VAL C C 34 177.122 178.109 -0.987 1
1 331 . 3 1 1 A 34 34 VAL CA C 34 63.913 65.476 -1.563 1
1 332 . 3 1 1 A 34 34 VAL CB C 34 31.126 31.238 -0.112 1
1 335 . 3 1 1 A 34 34 VAL N N 34 116.036 117.303 -1.267 1
1 336 . 3 1 1 A 35 35 HIS H H 35 7.284 7.770 -0.486 1
1 337 . 3 1 1 A 35 35 HIS HA H 35 4.899 4.387 0.512 1
1 342 . 3 1 1 A 35 35 HIS C C 35 175.530 175.902 -0.372 1
1 343 . 3 1 1 A 35 35 HIS CA C 35 54.910 59.189 -4.279 1
1 344 . 3 1 1 A 35 35 HIS CB C 35 28.775 30.558 -1.783 1
1 347 . 3 1 1 A 35 35 HIS N N 35 117.360 119.851 -2.491 1
1 348 . 3 1 1 A 36 36 THR H H 36 7.787 7.697 0.090 1
1 349 . 3 1 1 A 36 36 THR HA H 36 4.408 4.322 0.086 1
1 354 . 3 1 1 A 36 36 THR C C 36 175.489 174.324 1.165 1
1 355 . 3 1 1 A 36 36 THR CA C 36 62.176 61.507 0.669 1
1 356 . 3 1 1 A 36 36 THR CB C 36 69.788 68.017 1.771 1
1 358 . 3 1 1 A 36 36 THR N N 36 111.920 108.313 3.607 1
1 359 . 3 1 1 A 37 37 GLY H H 37 8.364 8.029 0.335 1
1 360 . 3 1 1 A 37 37 GLY HA2 H 37 3.990 4.143 -0.153 1
1 361 . 3 1 1 A 37 37 GLY HA3 H 37 3.990 4.147 -0.157 1
1 362 . 3 1 1 A 37 37 GLY C C 37 174.709 174.476 0.233 1
1 363 . 3 1 1 A 37 37 GLY CA C 37 45.510 45.827 -0.317 1
1 364 . 3 1 1 A 37 37 GLY N N 37 111.087 112.415 -1.328 1
1 365 . 3 1 1 A 38 38 GLY H H 38 8.279 8.063 0.216 1
1 366 . 3 1 1 A 38 38 GLY HA2 H 38 3.940 3.980 -0.040 1
1 367 . 3 1 1 A 38 38 GLY HA3 H 38 3.940 3.982 -0.042 1
1 368 . 3 1 1 A 38 38 GLY C C 38 173.722 174.988 -1.266 1
1 369 . 3 1 1 A 38 38 GLY CA C 38 45.104 46.199 -1.095 1
1 370 . 3 1 1 A 38 38 GLY N N 38 108.489 108.108 0.381 1
1 371 . 3 1 1 A 39 39 LYS H H 39 8.134 8.099 0.035 1
1 372 . 3 1 1 A 39 39 LYS HA H 39 4.631 3.927 0.704 1
1 381 . 3 1 1 A 39 39 LYS C C 39 174.669 176.198 -1.529 1
1 382 . 3 1 1 A 39 39 LYS CA C 39 54.141 57.225 -3.084 1
1 383 . 3 1 1 A 39 39 LYS CB C 39 32.551 30.932 1.619 1
1 387 . 3 1 1 A 39 39 LYS N N 39 121.858 121.185 0.673 1
1 388 . 3 1 1 A 40 40 PRO HA H 40 4.469 4.690 -0.221 1
1 395 . 3 1 1 A 40 40 PRO CA C 40 63.236 62.594 0.642 1
1 396 . 3 1 1 A 40 40 PRO CB C 40 32.213 31.117 1.096 1
1 399 . 3 1 1 A 42 42 GLY HA2 H 42 4.162 4.123 0.039 1
1 400 . 3 1 1 A 42 42 GLY HA3 H 42 4.111 4.123 -0.012 1
1 401 . 3 1 1 A 42 42 GLY CA C 42 44.661 45.788 -1.127 1
1 402 . 3 1 1 A 43 43 PRO HA H 43 4.476 4.324 0.152 1
1 409 . 3 1 1 A 43 43 PRO CA C 43 63.406 64.977 -1.571 1
1 410 . 3 1 1 A 43 43 PRO CB C 43 32.308 30.981 1.327 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 4.033 4.171 -0.138 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.033 4.176 -0.143 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.556 173.581 0.975 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.402 45.531 -0.129 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.151 9.041 -0.890 1
1 6 . 4 1 1 A 8 8 THR HA H 8 4.379 4.526 -0.147 1
1 11 . 4 1 1 A 8 8 THR C C 8 175.289 175.139 0.150 1
1 12 . 4 1 1 A 8 8 THR CA C 8 61.888 62.950 -1.062 1
1 13 . 4 1 1 A 8 8 THR CB C 8 69.800 71.261 -1.461 1
1 15 . 4 1 1 A 8 8 THR N N 8 112.871 119.409 -6.538 1
1 16 . 4 1 1 A 9 9 GLY H H 9 8.447 7.402 1.045 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 3.947 4.100 -0.153 1
1 18 . 4 1 1 A 9 9 GLY HA3 H 9 3.947 4.102 -0.155 1
1 19 . 4 1 1 A 9 9 GLY C C 9 174.028 173.197 0.831 1
1 20 . 4 1 1 A 9 9 GLY CA C 9 45.270 45.326 -0.056 1
1 21 . 4 1 1 A 9 9 GLY N N 9 111.093 105.397 5.696 1
1 22 . 4 1 1 A 10 10 GLU H H 10 8.230 8.858 -0.628 1
1 23 . 4 1 1 A 10 10 GLU HA H 10 4.251 4.337 -0.086 1
1 28 . 4 1 1 A 10 10 GLU C C 10 176.261 176.460 -0.199 1
1 29 . 4 1 1 A 10 10 GLU CA C 10 56.565 56.385 0.180 1
1 30 . 4 1 1 A 10 10 GLU CB C 10 30.519 30.221 0.298 1
1 32 . 4 1 1 A 10 10 GLU N N 10 120.586 124.639 -4.053 1
1 33 . 4 1 1 A 11 11 LYS H H 11 8.317 8.288 0.029 1
1 34 . 4 1 1 A 11 11 LYS HA H 11 4.540 4.767 -0.227 1
1 43 . 4 1 1 A 11 11 LYS C C 11 174.000 176.111 -2.111 1
1 44 . 4 1 1 A 11 11 LYS CA C 11 53.865 53.174 0.691 1
1 45 . 4 1 1 A 11 11 LYS CB C 11 32.626 35.027 -2.401 1
1 49 . 4 1 1 A 11 11 LYS N N 11 122.992 120.285 2.707 1
1 50 . 4 1 1 A 12 12 PRO HA H 12 4.331 4.366 -0.035 1
1 57 . 4 1 1 A 12 12 PRO C C 12 176.455 175.749 0.706 1
1 58 . 4 1 1 A 12 12 PRO CA C 12 62.991 64.271 -1.280 1
1 59 . 4 1 1 A 12 12 PRO CB C 12 32.285 31.623 0.662 1
1 62 . 4 1 1 A 13 13 TYR H H 13 8.131 7.650 0.481 1
1 63 . 4 1 1 A 13 13 TYR HA H 13 4.607 5.005 -0.398 1
1 70 . 4 1 1 A 13 13 TYR C C 13 174.080 174.425 -0.345 1
1 71 . 4 1 1 A 13 13 TYR CA C 13 57.300 57.080 0.220 1
1 72 . 4 1 1 A 13 13 TYR CB C 13 38.140 39.298 -1.158 1
1 77 . 4 1 1 A 13 13 TYR N N 13 119.838 118.941 0.897 1
1 78 . 4 1 1 A 14 14 LYS H H 14 8.387 8.979 -0.592 1
1 79 . 4 1 1 A 14 14 LYS HA H 14 5.090 5.286 -0.196 1
1 88 . 4 1 1 A 14 14 LYS C C 14 175.193 174.904 0.289 1
1 89 . 4 1 1 A 14 14 LYS CA C 14 54.801 54.917 -0.116 1
1 90 . 4 1 1 A 14 14 LYS CB C 14 36.002 36.419 -0.417 1
1 94 . 4 1 1 A 14 14 LYS N N 14 124.729 124.446 0.283 1
1 95 . 4 1 1 A 15 15 CYS H H 15 9.365 9.498 -0.133 1
1 96 . 4 1 1 A 15 15 CYS HA H 15 4.546 4.679 -0.133 1
1 99 . 4 1 1 A 15 15 CYS C C 15 176.812 176.093 0.719 1
1 100 . 4 1 1 A 15 15 CYS CA C 15 59.571 59.388 0.183 1
1 101 . 4 1 1 A 15 15 CYS CB C 15 29.635 28.347 1.288 1
1 102 . 4 1 1 A 15 15 CYS N N 15 127.942 124.523 3.419 1
1 103 . 4 1 1 A 16 16 ASN HA H 16 4.528 5.004 -0.476 1
1 108 . 4 1 1 A 16 16 ASN C C 16 175.388 176.414 -1.026 1
1 109 . 4 1 1 A 16 16 ASN CA C 16 55.505 52.480 3.025 1
1 110 . 4 1 1 A 16 16 ASN CB C 16 38.303 38.703 -0.400 1
1 112 . 4 1 1 A 17 17 GLU H H 17 8.730 7.531 1.199 1
1 113 . 4 1 1 A 17 17 GLU HA H 17 4.205 4.271 -0.066 1
1 118 . 4 1 1 A 17 17 GLU C C 17 177.141 178.091 -0.950 1
1 119 . 4 1 1 A 17 17 GLU CA C 17 58.686 57.902 0.784 1
1 120 . 4 1 1 A 17 17 GLU CB C 17 29.296 30.417 -1.121 1
1 122 . 4 1 1 A 17 17 GLU N N 17 120.847 119.667 1.180 1
1 123 . 4 1 1 A 18 18 CYS H H 18 7.941 8.175 -0.234 1
1 124 . 4 1 1 A 18 18 CYS HA H 18 5.174 4.684 0.490 1
1 127 . 4 1 1 A 18 18 CYS C C 18 176.186 175.243 0.943 1
1 128 . 4 1 1 A 18 18 CYS CA C 18 58.326 59.773 -1.447 1
1 129 . 4 1 1 A 18 18 CYS CB C 18 32.423 29.719 2.704 1
1 130 . 4 1 1 A 18 18 CYS N N 18 114.765 115.250 -0.485 1
1 131 . 4 1 1 A 19 19 GLY H H 19 8.207 7.993 0.214 1
1 132 . 4 1 1 A 19 19 GLY HA2 H 19 3.735 4.083 -0.348 1
1 133 . 4 1 1 A 19 19 GLY HA3 H 19 4.246 4.089 0.157 1
1 134 . 4 1 1 A 19 19 GLY C C 19 173.563 174.212 -0.649 1
1 135 . 4 1 1 A 19 19 GLY CA C 19 46.287 45.134 1.153 1
1 136 . 4 1 1 A 19 19 GLY N N 19 113.536 109.927 3.609 1
1 137 . 4 1 1 A 20 20 LYS H H 20 7.904 7.927 -0.023 1
1 138 . 4 1 1 A 20 20 LYS HA H 20 3.984 4.517 -0.533 1
1 147 . 4 1 1 A 20 20 LYS C C 20 174.306 175.617 -1.311 1
1 148 . 4 1 1 A 20 20 LYS CA C 20 58.283 54.579 3.704 1
1 149 . 4 1 1 A 20 20 LYS CB C 20 33.875 34.275 -0.400 1
1 153 . 4 1 1 A 20 20 LYS N N 20 122.594 119.156 3.438 1
1 154 . 4 1 1 A 21 21 VAL H H 21 7.635 8.102 -0.467 1
1 155 . 4 1 1 A 21 21 VAL HA H 21 4.756 4.946 -0.190 1
1 163 . 4 1 1 A 21 21 VAL C C 21 175.180 174.143 1.037 1
1 164 . 4 1 1 A 21 21 VAL CA C 21 60.394 60.329 0.065 1
1 165 . 4 1 1 A 21 21 VAL CB C 21 33.875 35.610 -1.735 1
1 168 . 4 1 1 A 21 21 VAL N N 21 117.274 120.265 -2.991 1
1 169 . 4 1 1 A 22 22 PHE H H 22 8.752 9.274 -0.522 1
1 170 . 4 1 1 A 22 22 PHE HA H 22 4.895 4.972 -0.077 1
1 178 . 4 1 1 A 22 22 PHE C C 22 175.688 175.628 0.060 1
1 179 . 4 1 1 A 22 22 PHE CA C 22 56.949 56.359 0.590 1
1 180 . 4 1 1 A 22 22 PHE CB C 22 43.525 43.700 -0.175 1
1 186 . 4 1 1 A 22 22 PHE N N 22 121.527 123.831 -2.304 1
1 187 . 4 1 1 A 23 23 THR H H 23 9.516 8.847 0.669 1
1 188 . 4 1 1 A 23 23 THR HA H 23 4.572 4.569 0.003 1
1 193 . 4 1 1 A 23 23 THR C C 23 174.880 174.000 0.880 1
1 194 . 4 1 1 A 23 23 THR CA C 23 63.272 63.593 -0.321 1
1 195 . 4 1 1 A 23 23 THR CB C 23 69.636 70.268 -0.632 1
1 197 . 4 1 1 A 23 23 THR N N 23 111.253 116.723 -5.470 1
1 198 . 4 1 1 A 24 24 GLN H H 24 7.074 7.575 -0.501 1
1 199 . 4 1 1 A 24 24 GLN HA H 24 4.531 4.477 0.054 1
1 206 . 4 1 1 A 24 24 GLN C C 24 175.849 175.766 0.083 1
1 207 . 4 1 1 A 24 24 GLN CA C 24 54.002 54.036 -0.034 1
1 208 . 4 1 1 A 24 24 GLN CB C 24 32.066 31.152 0.914 1
1 210 . 4 1 1 A 24 24 GLN N N 24 115.274 118.528 -3.254 1
1 212 . 4 1 1 A 25 25 ASN HA H 25 3.618 3.779 -0.161 1
1 217 . 4 1 1 A 25 25 ASN CA C 25 56.193 55.715 0.478 1
1 218 . 4 1 1 A 25 25 ASN CB C 25 38.289 36.998 1.291 1
1 219 . 4 1 1 A 25 25 ASN N N 25 119.000 121.664 -2.664 1
1 221 . 4 1 1 A 26 26 SER HA H 26 4.045 3.993 0.052 1
1 224 . 4 1 1 A 26 26 SER C C 26 177.179 176.635 0.544 1
1 225 . 4 1 1 A 26 26 SER CA C 26 60.858 62.160 -1.302 1
1 226 . 4 1 1 A 26 26 SER CB C 26 61.697 62.390 -0.693 1
1 227 . 4 1 1 A 26 26 SER N N 26 116.000 115.903 0.097 1
1 228 . 4 1 1 A 27 27 HIS H H 27 6.761 7.918 -1.157 1
1 229 . 4 1 1 A 27 27 HIS HA H 27 4.413 4.172 0.241 1
1 234 . 4 1 1 A 27 27 HIS C C 27 178.164 177.129 1.035 1
1 235 . 4 1 1 A 27 27 HIS CA C 27 57.067 58.789 -1.722 1
1 236 . 4 1 1 A 27 27 HIS CB C 27 31.815 29.849 1.966 1
1 239 . 4 1 1 A 27 27 HIS N N 27 121.682 119.383 2.299 1
1 240 . 4 1 1 A 28 28 LEU H H 28 6.960 7.403 -0.443 1
1 241 . 4 1 1 A 28 28 LEU HA H 28 3.190 3.084 0.106 1
1 251 . 4 1 1 A 28 28 LEU C C 28 177.255 177.995 -0.740 1
1 252 . 4 1 1 A 28 28 LEU CA C 28 57.687 57.578 0.109 1
1 253 . 4 1 1 A 28 28 LEU CB C 28 40.420 41.210 -0.790 1
1 257 . 4 1 1 A 28 28 LEU N N 28 122.330 120.095 2.235 1
1 258 . 4 1 1 A 29 29 ALA H H 29 8.293 8.642 -0.349 1
1 259 . 4 1 1 A 29 29 ALA HA H 29 3.936 3.917 0.019 1
1 263 . 4 1 1 A 29 29 ALA C C 29 180.550 179.785 0.765 1
1 264 . 4 1 1 A 29 29 ALA CA C 29 55.247 55.613 -0.366 1
1 265 . 4 1 1 A 29 29 ALA CB C 29 17.769 18.174 -0.405 1
1 266 . 4 1 1 A 29 29 ALA N N 29 121.027 120.952 0.075 1
1 267 . 4 1 1 A 30 30 ARG H H 30 7.470 7.802 -0.332 1
1 268 . 4 1 1 A 30 30 ARG HA H 30 3.986 3.979 0.007 1
1 275 . 4 1 1 A 30 30 ARG C C 30 178.649 178.649 0.000 1
1 276 . 4 1 1 A 30 30 ARG CA C 30 58.817 59.471 -0.654 1
1 277 . 4 1 1 A 30 30 ARG CB C 30 30.266 30.145 0.121 1
1 280 . 4 1 1 A 30 30 ARG N N 30 116.540 118.081 -1.541 1
1 281 . 4 1 1 A 31 31 HIS H H 31 7.639 8.178 -0.539 1
1 282 . 4 1 1 A 31 31 HIS HA H 31 4.238 4.056 0.182 1
1 287 . 4 1 1 A 31 31 HIS C C 31 176.034 176.544 -0.510 1
1 288 . 4 1 1 A 31 31 HIS CA C 31 58.663 59.872 -1.209 1
1 289 . 4 1 1 A 31 31 HIS CB C 31 28.646 29.558 -0.912 1
1 292 . 4 1 1 A 31 31 HIS N N 31 119.387 119.551 -0.164 1
1 293 . 4 1 1 A 32 32 ARG H H 32 8.158 8.139 0.019 1
1 294 . 4 1 1 A 32 32 ARG HA H 32 3.677 3.910 -0.233 1
1 301 . 4 1 1 A 32 32 ARG C C 32 177.576 178.951 -1.375 1
1 302 . 4 1 1 A 32 32 ARG CA C 32 59.884 59.730 0.154 1
1 303 . 4 1 1 A 32 32 ARG CB C 32 29.827 30.019 -0.192 1
1 306 . 4 1 1 A 32 32 ARG N N 32 115.483 117.227 -1.744 1
1 307 . 4 1 1 A 33 33 ARG H H 33 7.069 8.454 -1.385 1
1 308 . 4 1 1 A 33 33 ARG HA H 33 4.130 3.965 0.165 1
1 315 . 4 1 1 A 33 33 ARG C C 33 178.283 178.685 -0.402 1
1 316 . 4 1 1 A 33 33 ARG CA C 33 58.201 59.119 -0.918 1
1 317 . 4 1 1 A 33 33 ARG CB C 33 29.938 29.756 0.182 1
1 320 . 4 1 1 A 33 33 ARG N N 33 116.839 119.725 -2.886 1
1 321 . 4 1 1 A 34 34 VAL H H 34 7.920 8.063 -0.143 1
1 322 . 4 1 1 A 34 34 VAL HA H 34 3.904 3.741 0.163 1
1 330 . 4 1 1 A 34 34 VAL C C 34 177.122 176.592 0.530 1
1 331 . 4 1 1 A 34 34 VAL CA C 34 63.913 65.215 -1.302 1
1 332 . 4 1 1 A 34 34 VAL CB C 34 31.126 31.081 0.045 1
1 335 . 4 1 1 A 34 34 VAL N N 34 116.036 117.611 -1.575 1
1 336 . 4 1 1 A 35 35 HIS H H 35 7.284 8.098 -0.814 1
1 337 . 4 1 1 A 35 35 HIS HA H 35 4.899 4.617 0.282 1
1 342 . 4 1 1 A 35 35 HIS C C 35 175.530 173.776 1.754 1
1 343 . 4 1 1 A 35 35 HIS CA C 35 54.910 54.556 0.354 1
1 344 . 4 1 1 A 35 35 HIS CB C 35 28.775 27.512 1.263 1
1 347 . 4 1 1 A 35 35 HIS N N 35 117.360 119.205 -1.845 1
1 348 . 4 1 1 A 36 36 THR H H 36 7.787 7.747 0.040 1
1 349 . 4 1 1 A 36 36 THR HA H 36 4.408 4.866 -0.458 1
1 354 . 4 1 1 A 36 36 THR C C 36 175.489 173.968 1.521 1
1 355 . 4 1 1 A 36 36 THR CA C 36 62.176 60.256 1.920 1
1 356 . 4 1 1 A 36 36 THR CB C 36 69.788 71.101 -1.313 1
1 358 . 4 1 1 A 36 36 THR N N 36 111.920 112.275 -0.355 1
1 359 . 4 1 1 A 37 37 GLY H H 37 8.364 8.969 -0.605 1
1 360 . 4 1 1 A 37 37 GLY HA2 H 37 3.990 3.859 0.131 1
1 361 . 4 1 1 A 37 37 GLY HA3 H 37 3.990 3.864 0.126 1
1 362 . 4 1 1 A 37 37 GLY C C 37 174.709 173.833 0.876 1
1 363 . 4 1 1 A 37 37 GLY CA C 37 45.510 47.053 -1.543 1
1 364 . 4 1 1 A 37 37 GLY N N 37 111.087 112.962 -1.875 1
1 365 . 4 1 1 A 38 38 GLY H H 38 8.279 8.226 0.053 1
1 366 . 4 1 1 A 38 38 GLY HA2 H 38 3.940 4.053 -0.113 1
1 367 . 4 1 1 A 38 38 GLY HA3 H 38 3.940 4.061 -0.121 1
1 368 . 4 1 1 A 38 38 GLY C C 38 173.722 172.453 1.269 1
1 369 . 4 1 1 A 38 38 GLY CA C 38 45.104 45.090 0.014 1
1 370 . 4 1 1 A 38 38 GLY N N 38 108.489 107.420 1.069 1
1 371 . 4 1 1 A 39 39 LYS H H 39 8.134 8.306 -0.172 1
1 372 . 4 1 1 A 39 39 LYS HA H 39 4.631 4.615 0.016 1
1 381 . 4 1 1 A 39 39 LYS C C 39 174.669 176.681 -2.012 1
1 382 . 4 1 1 A 39 39 LYS CA C 39 54.141 54.233 -0.092 1
1 383 . 4 1 1 A 39 39 LYS CB C 39 32.551 31.949 0.602 1
1 387 . 4 1 1 A 39 39 LYS N N 39 121.858 121.168 0.690 1
1 388 . 4 1 1 A 40 40 PRO HA H 40 4.469 4.416 0.053 1
1 395 . 4 1 1 A 40 40 PRO CA C 40 63.236 64.807 -1.571 1
1 396 . 4 1 1 A 40 40 PRO CB C 40 32.213 32.006 0.207 1
1 399 . 4 1 1 A 42 42 GLY HA2 H 42 4.162 3.999 0.163 1
1 400 . 4 1 1 A 42 42 GLY HA3 H 42 4.111 4.002 0.109 1
1 401 . 4 1 1 A 42 42 GLY CA C 42 44.661 45.253 -0.592 1
1 402 . 4 1 1 A 43 43 PRO HA H 43 4.476 4.390 0.086 1
1 409 . 4 1 1 A 43 43 PRO CA C 43 63.406 64.798 -1.392 1
1 410 . 4 1 1 A 43 43 PRO CB C 43 32.308 32.194 0.114 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 4.033 4.194 -0.161 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.033 4.199 -0.166 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.556 172.898 1.658 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.402 45.904 -0.502 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.151 8.285 -0.134 1
1 6 . 5 1 1 A 8 8 THR HA H 8 4.379 4.771 -0.392 1
1 11 . 5 1 1 A 8 8 THR C C 8 175.289 173.215 2.074 1
1 12 . 5 1 1 A 8 8 THR CA C 8 61.888 60.411 1.477 1
1 13 . 5 1 1 A 8 8 THR CB C 8 69.800 69.143 0.657 1
1 15 . 5 1 1 A 8 8 THR N N 8 112.871 116.490 -3.619 1
1 16 . 5 1 1 A 9 9 GLY H H 9 8.447 8.298 0.149 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 3.947 4.229 -0.282 1
1 18 . 5 1 1 A 9 9 GLY HA3 H 9 3.947 4.239 -0.292 1
1 19 . 5 1 1 A 9 9 GLY C C 9 174.028 171.593 2.435 1
1 20 . 5 1 1 A 9 9 GLY CA C 9 45.270 45.793 -0.523 1
1 21 . 5 1 1 A 9 9 GLY N N 9 111.093 114.752 -3.659 1
1 22 . 5 1 1 A 10 10 GLU H H 10 8.230 8.823 -0.593 1
1 23 . 5 1 1 A 10 10 GLU HA H 10 4.251 5.058 -0.807 1
1 28 . 5 1 1 A 10 10 GLU C C 10 176.261 175.238 1.023 1
1 29 . 5 1 1 A 10 10 GLU CA C 10 56.565 55.142 1.423 1
1 30 . 5 1 1 A 10 10 GLU CB C 10 30.519 32.153 -1.634 1
1 32 . 5 1 1 A 10 10 GLU N N 10 120.586 120.973 -0.387 1
1 33 . 5 1 1 A 11 11 LYS H H 11 8.317 8.585 -0.268 1
1 34 . 5 1 1 A 11 11 LYS HA H 11 4.540 4.866 -0.326 1
1 43 . 5 1 1 A 11 11 LYS C C 11 174.000 176.256 -2.256 1
1 44 . 5 1 1 A 11 11 LYS CA C 11 53.865 53.018 0.847 1
1 45 . 5 1 1 A 11 11 LYS CB C 11 32.626 34.498 -1.872 1
1 49 . 5 1 1 A 11 11 LYS N N 11 122.992 124.751 -1.759 1
1 50 . 5 1 1 A 12 12 PRO HA H 12 4.331 4.408 -0.077 1
1 57 . 5 1 1 A 12 12 PRO C C 12 176.455 175.739 0.716 1
1 58 . 5 1 1 A 12 12 PRO CA C 12 62.991 64.176 -1.185 1
1 59 . 5 1 1 A 12 12 PRO CB C 12 32.285 31.521 0.764 1
1 62 . 5 1 1 A 13 13 TYR H H 13 8.131 7.574 0.557 1
1 63 . 5 1 1 A 13 13 TYR HA H 13 4.607 5.014 -0.407 1
1 70 . 5 1 1 A 13 13 TYR C C 13 174.080 175.150 -1.070 1
1 71 . 5 1 1 A 13 13 TYR CA C 13 57.300 57.300 0.000 1
1 72 . 5 1 1 A 13 13 TYR CB C 13 38.140 39.602 -1.462 1
1 77 . 5 1 1 A 13 13 TYR N N 13 119.838 118.912 0.926 1
1 78 . 5 1 1 A 14 14 LYS H H 14 8.387 8.828 -0.441 1
1 79 . 5 1 1 A 14 14 LYS HA H 14 5.090 5.183 -0.093 1
1 88 . 5 1 1 A 14 14 LYS C C 14 175.193 174.285 0.908 1
1 89 . 5 1 1 A 14 14 LYS CA C 14 54.801 55.295 -0.494 1
1 90 . 5 1 1 A 14 14 LYS CB C 14 36.002 36.926 -0.924 1
1 94 . 5 1 1 A 14 14 LYS N N 14 124.729 123.641 1.088 1
1 95 . 5 1 1 A 15 15 CYS H H 15 9.365 9.234 0.131 1
1 96 . 5 1 1 A 15 15 CYS HA H 15 4.546 4.915 -0.369 1
1 99 . 5 1 1 A 15 15 CYS C C 15 176.812 176.115 0.697 1
1 100 . 5 1 1 A 15 15 CYS CA C 15 59.571 58.140 1.431 1
1 101 . 5 1 1 A 15 15 CYS CB C 15 29.635 30.150 -0.515 1
1 102 . 5 1 1 A 15 15 CYS N N 15 127.942 124.062 3.880 1
1 103 . 5 1 1 A 16 16 ASN HA H 16 4.528 5.036 -0.508 1
1 108 . 5 1 1 A 16 16 ASN C C 16 175.388 176.487 -1.099 1
1 109 . 5 1 1 A 16 16 ASN CA C 16 55.505 52.822 2.683 1
1 110 . 5 1 1 A 16 16 ASN CB C 16 38.303 38.615 -0.312 1
1 112 . 5 1 1 A 17 17 GLU H H 17 8.730 7.543 1.187 1
1 113 . 5 1 1 A 17 17 GLU HA H 17 4.205 4.309 -0.104 1
1 118 . 5 1 1 A 17 17 GLU C C 17 177.141 178.155 -1.014 1
1 119 . 5 1 1 A 17 17 GLU CA C 17 58.686 58.033 0.653 1
1 120 . 5 1 1 A 17 17 GLU CB C 17 29.296 30.400 -1.104 1
1 122 . 5 1 1 A 17 17 GLU N N 17 120.847 119.385 1.462 1
1 123 . 5 1 1 A 18 18 CYS H H 18 7.941 8.197 -0.256 1
1 124 . 5 1 1 A 18 18 CYS HA H 18 5.174 4.688 0.486 1
1 127 . 5 1 1 A 18 18 CYS C C 18 176.186 175.251 0.935 1
1 128 . 5 1 1 A 18 18 CYS CA C 18 58.326 59.730 -1.404 1
1 129 . 5 1 1 A 18 18 CYS CB C 18 32.423 29.753 2.670 1
1 130 . 5 1 1 A 18 18 CYS N N 18 114.765 114.908 -0.143 1
1 131 . 5 1 1 A 19 19 GLY H H 19 8.207 8.035 0.172 1
1 132 . 5 1 1 A 19 19 GLY HA2 H 19 3.735 4.090 -0.355 1
1 133 . 5 1 1 A 19 19 GLY HA3 H 19 4.246 4.100 0.146 1
1 134 . 5 1 1 A 19 19 GLY C C 19 173.563 174.167 -0.604 1
1 135 . 5 1 1 A 19 19 GLY CA C 19 46.287 45.164 1.123 1
1 136 . 5 1 1 A 19 19 GLY N N 19 113.536 110.128 3.408 1
1 137 . 5 1 1 A 20 20 LYS H H 20 7.904 7.810 0.094 1
1 138 . 5 1 1 A 20 20 LYS HA H 20 3.984 4.313 -0.329 1
1 147 . 5 1 1 A 20 20 LYS C C 20 174.306 175.634 -1.328 1
1 148 . 5 1 1 A 20 20 LYS CA C 20 58.283 55.405 2.878 1
1 149 . 5 1 1 A 20 20 LYS CB C 20 33.875 33.230 0.645 1
1 153 . 5 1 1 A 20 20 LYS N N 20 122.594 119.440 3.154 1
1 154 . 5 1 1 A 21 21 VAL H H 21 7.635 8.460 -0.825 1
1 155 . 5 1 1 A 21 21 VAL HA H 21 4.756 4.776 -0.020 1
1 163 . 5 1 1 A 21 21 VAL C C 21 175.180 174.635 0.545 1
1 164 . 5 1 1 A 21 21 VAL CA C 21 60.394 61.116 -0.722 1
1 165 . 5 1 1 A 21 21 VAL CB C 21 33.875 33.132 0.743 1
1 168 . 5 1 1 A 21 21 VAL N N 21 117.274 123.277 -6.003 1
1 169 . 5 1 1 A 22 22 PHE H H 22 8.752 9.167 -0.415 1
1 170 . 5 1 1 A 22 22 PHE HA H 22 4.895 5.030 -0.135 1
1 178 . 5 1 1 A 22 22 PHE C C 22 175.688 175.702 -0.014 1
1 179 . 5 1 1 A 22 22 PHE CA C 22 56.949 56.373 0.576 1
1 180 . 5 1 1 A 22 22 PHE CB C 22 43.525 43.900 -0.375 1
1 186 . 5 1 1 A 22 22 PHE N N 22 121.527 124.154 -2.627 1
1 187 . 5 1 1 A 23 23 THR H H 23 9.516 8.883 0.633 1
1 188 . 5 1 1 A 23 23 THR HA H 23 4.572 4.495 0.077 1
1 193 . 5 1 1 A 23 23 THR C C 23 174.880 174.024 0.856 1
1 194 . 5 1 1 A 23 23 THR CA C 23 63.272 64.123 -0.851 1
1 195 . 5 1 1 A 23 23 THR CB C 23 69.636 70.141 -0.505 1
1 197 . 5 1 1 A 23 23 THR N N 23 111.253 116.216 -4.963 1
1 198 . 5 1 1 A 24 24 GLN H H 24 7.074 7.571 -0.497 1
1 199 . 5 1 1 A 24 24 GLN HA H 24 4.531 4.158 0.373 1
1 206 . 5 1 1 A 24 24 GLN C C 24 175.849 175.592 0.257 1
1 207 . 5 1 1 A 24 24 GLN CA C 24 54.002 53.825 0.177 1
1 208 . 5 1 1 A 24 24 GLN CB C 24 32.066 30.793 1.273 1
1 210 . 5 1 1 A 24 24 GLN N N 24 115.274 117.722 -2.448 1
1 212 . 5 1 1 A 25 25 ASN HA H 25 3.618 4.127 -0.509 1
1 217 . 5 1 1 A 25 25 ASN CA C 25 56.193 55.867 0.326 1
1 218 . 5 1 1 A 25 25 ASN CB C 25 38.289 37.093 1.196 1
1 219 . 5 1 1 A 25 25 ASN N N 25 119.000 120.224 -1.224 1
1 221 . 5 1 1 A 26 26 SER HA H 26 4.045 4.050 -0.005 1
1 224 . 5 1 1 A 26 26 SER C C 26 177.179 176.632 0.547 1
1 225 . 5 1 1 A 26 26 SER CA C 26 60.858 62.401 -1.543 1
1 226 . 5 1 1 A 26 26 SER CB C 26 61.697 62.551 -0.854 1
1 227 . 5 1 1 A 26 26 SER N N 26 116.000 116.227 -0.227 1
1 228 . 5 1 1 A 27 27 HIS H H 27 6.761 7.716 -0.955 1
1 229 . 5 1 1 A 27 27 HIS HA H 27 4.413 4.236 0.177 1
1 234 . 5 1 1 A 27 27 HIS C C 27 178.164 177.507 0.657 1
1 235 . 5 1 1 A 27 27 HIS CA C 27 57.067 58.730 -1.663 1
1 236 . 5 1 1 A 27 27 HIS CB C 27 31.815 29.688 2.127 1
1 239 . 5 1 1 A 27 27 HIS N N 27 121.682 119.433 2.249 1
1 240 . 5 1 1 A 28 28 LEU H H 28 6.960 7.406 -0.446 1
1 241 . 5 1 1 A 28 28 LEU HA H 28 3.190 3.079 0.111 1
1 251 . 5 1 1 A 28 28 LEU C C 28 177.255 178.216 -0.961 1
1 252 . 5 1 1 A 28 28 LEU CA C 28 57.687 57.421 0.266 1
1 253 . 5 1 1 A 28 28 LEU CB C 28 40.420 41.303 -0.883 1
1 257 . 5 1 1 A 28 28 LEU N N 28 122.330 120.693 1.637 1
1 258 . 5 1 1 A 29 29 ALA H H 29 8.293 8.807 -0.514 1
1 259 . 5 1 1 A 29 29 ALA HA H 29 3.936 4.017 -0.081 1
1 263 . 5 1 1 A 29 29 ALA C C 29 180.550 179.387 1.163 1
1 264 . 5 1 1 A 29 29 ALA CA C 29 55.247 55.721 -0.474 1
1 265 . 5 1 1 A 29 29 ALA CB C 29 17.769 18.514 -0.745 1
1 266 . 5 1 1 A 29 29 ALA N N 29 121.027 121.617 -0.590 1
1 267 . 5 1 1 A 30 30 ARG H H 30 7.470 8.223 -0.753 1
1 268 . 5 1 1 A 30 30 ARG HA H 30 3.986 4.090 -0.104 1
1 275 . 5 1 1 A 30 30 ARG C C 30 178.649 178.421 0.228 1
1 276 . 5 1 1 A 30 30 ARG CA C 30 58.817 58.884 -0.067 1
1 277 . 5 1 1 A 30 30 ARG CB C 30 30.266 29.879 0.387 1
1 280 . 5 1 1 A 30 30 ARG N N 30 116.540 117.043 -0.503 1
1 281 . 5 1 1 A 31 31 HIS H H 31 7.639 8.150 -0.511 1
1 282 . 5 1 1 A 31 31 HIS HA H 31 4.238 4.222 0.016 1
1 287 . 5 1 1 A 31 31 HIS C C 31 176.034 176.540 -0.506 1
1 288 . 5 1 1 A 31 31 HIS CA C 31 58.663 59.960 -1.297 1
1 289 . 5 1 1 A 31 31 HIS CB C 31 28.646 29.831 -1.185 1
1 292 . 5 1 1 A 31 31 HIS N N 31 119.387 120.210 -0.823 1
1 293 . 5 1 1 A 32 32 ARG H H 32 8.158 8.083 0.075 1
1 294 . 5 1 1 A 32 32 ARG HA H 32 3.677 3.900 -0.223 1
1 301 . 5 1 1 A 32 32 ARG C C 32 177.576 178.814 -1.238 1
1 302 . 5 1 1 A 32 32 ARG CA C 32 59.884 59.401 0.483 1
1 303 . 5 1 1 A 32 32 ARG CB C 32 29.827 29.891 -0.064 1
1 306 . 5 1 1 A 32 32 ARG N N 32 115.483 116.933 -1.450 1
1 307 . 5 1 1 A 33 33 ARG H H 33 7.069 7.891 -0.822 1
1 308 . 5 1 1 A 33 33 ARG HA H 33 4.130 3.971 0.159 1
1 315 . 5 1 1 A 33 33 ARG C C 33 178.283 178.569 -0.286 1
1 316 . 5 1 1 A 33 33 ARG CA C 33 58.201 59.237 -1.036 1
1 317 . 5 1 1 A 33 33 ARG CB C 33 29.938 29.797 0.141 1
1 320 . 5 1 1 A 33 33 ARG N N 33 116.839 119.693 -2.854 1
1 321 . 5 1 1 A 34 34 VAL H H 34 7.920 8.194 -0.274 1
1 322 . 5 1 1 A 34 34 VAL HA H 34 3.904 3.735 0.169 1
1 330 . 5 1 1 A 34 34 VAL C C 34 177.122 177.986 -0.864 1
1 331 . 5 1 1 A 34 34 VAL CA C 34 63.913 65.712 -1.799 1
1 332 . 5 1 1 A 34 34 VAL CB C 34 31.126 31.208 -0.082 1
1 335 . 5 1 1 A 34 34 VAL N N 34 116.036 117.287 -1.251 1
1 336 . 5 1 1 A 35 35 HIS H H 35 7.284 7.588 -0.304 1
1 337 . 5 1 1 A 35 35 HIS HA H 35 4.899 4.337 0.562 1
1 342 . 5 1 1 A 35 35 HIS C C 35 175.530 176.555 -1.025 1
1 343 . 5 1 1 A 35 35 HIS CA C 35 54.910 58.884 -3.974 1
1 344 . 5 1 1 A 35 35 HIS CB C 35 28.775 29.832 -1.057 1
1 347 . 5 1 1 A 35 35 HIS N N 35 117.360 120.040 -2.680 1
1 348 . 5 1 1 A 36 36 THR H H 36 7.787 7.570 0.217 1
1 349 . 5 1 1 A 36 36 THR HA H 36 4.408 4.310 0.098 1
1 354 . 5 1 1 A 36 36 THR C C 36 175.489 175.029 0.460 1
1 355 . 5 1 1 A 36 36 THR CA C 36 62.176 60.829 1.347 1
1 356 . 5 1 1 A 36 36 THR CB C 36 69.788 67.381 2.407 1
1 358 . 5 1 1 A 36 36 THR N N 36 111.920 111.623 0.297 1
1 359 . 5 1 1 A 37 37 GLY H H 37 8.364 8.329 0.035 1
1 360 . 5 1 1 A 37 37 GLY HA2 H 37 3.990 3.883 0.107 1
1 361 . 5 1 1 A 37 37 GLY HA3 H 37 3.990 3.883 0.107 1
1 362 . 5 1 1 A 37 37 GLY C C 37 174.709 174.767 -0.058 1
1 363 . 5 1 1 A 37 37 GLY CA C 37 45.510 46.208 -0.698 1
1 364 . 5 1 1 A 37 37 GLY N N 37 111.087 115.320 -4.233 1
1 365 . 5 1 1 A 38 38 GLY H H 38 8.279 7.718 0.561 1
1 366 . 5 1 1 A 38 38 GLY HA2 H 38 3.940 4.026 -0.086 1
1 367 . 5 1 1 A 38 38 GLY HA3 H 38 3.940 4.028 -0.088 1
1 368 . 5 1 1 A 38 38 GLY C C 38 173.722 175.222 -1.500 1
1 369 . 5 1 1 A 38 38 GLY CA C 38 45.104 45.272 -0.168 1
1 370 . 5 1 1 A 38 38 GLY N N 38 108.489 106.544 1.945 1
1 371 . 5 1 1 A 39 39 LYS H H 39 8.134 8.120 0.014 1
1 372 . 5 1 1 A 39 39 LYS HA H 39 4.631 4.021 0.610 1
1 381 . 5 1 1 A 39 39 LYS C C 39 174.669 176.745 -2.076 1
1 382 . 5 1 1 A 39 39 LYS CA C 39 54.141 56.859 -2.718 1
1 383 . 5 1 1 A 39 39 LYS CB C 39 32.551 30.066 2.485 1
1 387 . 5 1 1 A 39 39 LYS N N 39 121.858 115.237 6.621 1
1 388 . 5 1 1 A 40 40 PRO HA H 40 4.469 4.462 0.007 1
1 395 . 5 1 1 A 40 40 PRO CA C 40 63.236 64.319 -1.083 1
1 396 . 5 1 1 A 40 40 PRO CB C 40 32.213 31.734 0.479 1
1 399 . 5 1 1 A 42 42 GLY HA2 H 42 4.162 4.179 -0.017 1
1 400 . 5 1 1 A 42 42 GLY HA3 H 42 4.111 4.179 -0.068 1
1 401 . 5 1 1 A 42 42 GLY CA C 42 44.661 45.424 -0.763 1
1 402 . 5 1 1 A 43 43 PRO HA H 43 4.476 4.399 0.077 1
1 409 . 5 1 1 A 43 43 PRO CA C 43 63.406 64.373 -0.967 1
1 410 . 5 1 1 A 43 43 PRO CB C 43 32.308 31.798 0.510 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 4.033 3.833 0.200 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.033 3.833 0.200 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.556 173.748 0.808 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.402 47.327 -1.925 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.151 8.318 -0.167 1
1 6 . 6 1 1 A 8 8 THR HA H 8 4.379 5.244 -0.865 1
1 11 . 6 1 1 A 8 8 THR C C 8 175.289 173.164 2.125 1
1 12 . 6 1 1 A 8 8 THR CA C 8 61.888 59.638 2.250 1
1 13 . 6 1 1 A 8 8 THR CB C 8 69.800 72.385 -2.585 1
1 15 . 6 1 1 A 8 8 THR N N 8 112.871 112.167 0.704 1
1 16 . 6 1 1 A 9 9 GLY H H 9 8.447 8.520 -0.073 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 3.947 4.314 -0.367 1
1 18 . 6 1 1 A 9 9 GLY HA3 H 9 3.947 4.316 -0.369 1
1 19 . 6 1 1 A 9 9 GLY C C 9 174.028 172.030 1.998 1
1 20 . 6 1 1 A 9 9 GLY CA C 9 45.270 44.438 0.832 1
1 21 . 6 1 1 A 9 9 GLY N N 9 111.093 108.740 2.353 1
1 22 . 6 1 1 A 10 10 GLU H H 10 8.230 9.006 -0.776 1
1 23 . 6 1 1 A 10 10 GLU HA H 10 4.251 4.994 -0.743 1
1 28 . 6 1 1 A 10 10 GLU C C 10 176.261 175.100 1.161 1
1 29 . 6 1 1 A 10 10 GLU CA C 10 56.565 55.005 1.560 1
1 30 . 6 1 1 A 10 10 GLU CB C 10 30.519 32.639 -2.120 1
1 32 . 6 1 1 A 10 10 GLU N N 10 120.586 123.522 -2.936 1
1 33 . 6 1 1 A 11 11 LYS H H 11 8.317 8.543 -0.226 1
1 34 . 6 1 1 A 11 11 LYS HA H 11 4.540 4.800 -0.260 1
1 43 . 6 1 1 A 11 11 LYS C C 11 174.000 176.350 -2.350 1
1 44 . 6 1 1 A 11 11 LYS CA C 11 53.865 53.075 0.790 1
1 45 . 6 1 1 A 11 11 LYS CB C 11 32.626 33.612 -0.986 1
1 49 . 6 1 1 A 11 11 LYS N N 11 122.992 122.349 0.643 1
1 50 . 6 1 1 A 12 12 PRO HA H 12 4.331 4.340 -0.009 1
1 57 . 6 1 1 A 12 12 PRO C C 12 176.455 175.762 0.693 1
1 58 . 6 1 1 A 12 12 PRO CA C 12 62.991 64.454 -1.463 1
1 59 . 6 1 1 A 12 12 PRO CB C 12 32.285 31.579 0.706 1
1 62 . 6 1 1 A 13 13 TYR H H 13 8.131 7.796 0.335 1
1 63 . 6 1 1 A 13 13 TYR HA H 13 4.607 4.901 -0.294 1
1 70 . 6 1 1 A 13 13 TYR C C 13 174.080 174.508 -0.428 1
1 71 . 6 1 1 A 13 13 TYR CA C 13 57.300 57.160 0.140 1
1 72 . 6 1 1 A 13 13 TYR CB C 13 38.140 38.517 -0.377 1
1 77 . 6 1 1 A 13 13 TYR N N 13 119.838 118.617 1.221 1
1 78 . 6 1 1 A 14 14 LYS H H 14 8.387 8.841 -0.454 1
1 79 . 6 1 1 A 14 14 LYS HA H 14 5.090 5.321 -0.231 1
1 88 . 6 1 1 A 14 14 LYS C C 14 175.193 175.469 -0.276 1
1 89 . 6 1 1 A 14 14 LYS CA C 14 54.801 54.683 0.118 1
1 90 . 6 1 1 A 14 14 LYS CB C 14 36.002 36.500 -0.498 1
1 94 . 6 1 1 A 14 14 LYS N N 14 124.729 125.187 -0.458 1
1 95 . 6 1 1 A 15 15 CYS H H 15 9.365 9.471 -0.106 1
1 96 . 6 1 1 A 15 15 CYS HA H 15 4.546 4.634 -0.088 1
1 99 . 6 1 1 A 15 15 CYS C C 15 176.812 176.369 0.443 1
1 100 . 6 1 1 A 15 15 CYS CA C 15 59.571 60.049 -0.478 1
1 101 . 6 1 1 A 15 15 CYS CB C 15 29.635 28.834 0.801 1
1 102 . 6 1 1 A 15 15 CYS N N 15 127.942 124.907 3.035 1
1 103 . 6 1 1 A 16 16 ASN HA H 16 4.528 5.028 -0.500 1
1 108 . 6 1 1 A 16 16 ASN C C 16 175.388 176.426 -1.038 1
1 109 . 6 1 1 A 16 16 ASN CA C 16 55.505 52.556 2.949 1
1 110 . 6 1 1 A 16 16 ASN CB C 16 38.303 38.669 -0.366 1
1 112 . 6 1 1 A 17 17 GLU H H 17 8.730 7.591 1.139 1
1 113 . 6 1 1 A 17 17 GLU HA H 17 4.205 4.285 -0.080 1
1 118 . 6 1 1 A 17 17 GLU C C 17 177.141 178.267 -1.126 1
1 119 . 6 1 1 A 17 17 GLU CA C 17 58.686 58.065 0.621 1
1 120 . 6 1 1 A 17 17 GLU CB C 17 29.296 30.369 -1.073 1
1 122 . 6 1 1 A 17 17 GLU N N 17 120.847 119.510 1.337 1
1 123 . 6 1 1 A 18 18 CYS H H 18 7.941 8.123 -0.182 1
1 124 . 6 1 1 A 18 18 CYS HA H 18 5.174 4.646 0.528 1
1 127 . 6 1 1 A 18 18 CYS C C 18 176.186 175.145 1.041 1
1 128 . 6 1 1 A 18 18 CYS CA C 18 58.326 59.726 -1.400 1
1 129 . 6 1 1 A 18 18 CYS CB C 18 32.423 29.505 2.918 1
1 130 . 6 1 1 A 18 18 CYS N N 18 114.765 114.898 -0.133 1
1 131 . 6 1 1 A 19 19 GLY H H 19 8.207 7.947 0.260 1
1 132 . 6 1 1 A 19 19 GLY HA2 H 19 3.735 4.076 -0.341 1
1 133 . 6 1 1 A 19 19 GLY HA3 H 19 4.246 4.081 0.165 1
1 134 . 6 1 1 A 19 19 GLY C C 19 173.563 174.297 -0.734 1
1 135 . 6 1 1 A 19 19 GLY CA C 19 46.287 45.107 1.180 1
1 136 . 6 1 1 A 19 19 GLY N N 19 113.536 109.881 3.655 1
1 137 . 6 1 1 A 20 20 LYS H H 20 7.904 7.842 0.062 1
1 138 . 6 1 1 A 20 20 LYS HA H 20 3.984 4.495 -0.511 1
1 147 . 6 1 1 A 20 20 LYS C C 20 174.306 175.436 -1.130 1
1 148 . 6 1 1 A 20 20 LYS CA C 20 58.283 55.051 3.232 1
1 149 . 6 1 1 A 20 20 LYS CB C 20 33.875 34.339 -0.464 1
1 153 . 6 1 1 A 20 20 LYS N N 20 122.594 119.171 3.423 1
1 154 . 6 1 1 A 21 21 VAL H H 21 7.635 8.080 -0.445 1
1 155 . 6 1 1 A 21 21 VAL HA H 21 4.756 4.892 -0.136 1
1 163 . 6 1 1 A 21 21 VAL C C 21 175.180 174.046 1.134 1
1 164 . 6 1 1 A 21 21 VAL CA C 21 60.394 60.038 0.356 1
1 165 . 6 1 1 A 21 21 VAL CB C 21 33.875 35.941 -2.066 1
1 168 . 6 1 1 A 21 21 VAL N N 21 117.274 119.626 -2.352 1
1 169 . 6 1 1 A 22 22 PHE H H 22 8.752 9.012 -0.260 1
1 170 . 6 1 1 A 22 22 PHE HA H 22 4.895 4.945 -0.050 1
1 178 . 6 1 1 A 22 22 PHE C C 22 175.688 175.434 0.254 1
1 179 . 6 1 1 A 22 22 PHE CA C 22 56.949 56.590 0.359 1
1 180 . 6 1 1 A 22 22 PHE CB C 22 43.525 43.263 0.262 1
1 186 . 6 1 1 A 22 22 PHE N N 22 121.527 123.714 -2.187 1
1 187 . 6 1 1 A 23 23 THR H H 23 9.516 8.801 0.715 1
1 188 . 6 1 1 A 23 23 THR HA H 23 4.572 4.360 0.212 1
1 193 . 6 1 1 A 23 23 THR C C 23 174.880 173.913 0.967 1
1 194 . 6 1 1 A 23 23 THR CA C 23 63.272 64.715 -1.443 1
1 195 . 6 1 1 A 23 23 THR CB C 23 69.636 69.840 -0.204 1
1 197 . 6 1 1 A 23 23 THR N N 23 111.253 116.438 -5.185 1
1 198 . 6 1 1 A 24 24 GLN H H 24 7.074 7.814 -0.740 1
1 199 . 6 1 1 A 24 24 GLN HA H 24 4.531 4.297 0.234 1
1 206 . 6 1 1 A 24 24 GLN C C 24 175.849 175.513 0.336 1
1 207 . 6 1 1 A 24 24 GLN CA C 24 54.002 54.036 -0.034 1
1 208 . 6 1 1 A 24 24 GLN CB C 24 32.066 31.207 0.859 1
1 210 . 6 1 1 A 24 24 GLN N N 24 115.274 117.498 -2.224 1
1 212 . 6 1 1 A 25 25 ASN HA H 25 3.618 3.903 -0.285 1
1 217 . 6 1 1 A 25 25 ASN CA C 25 56.193 55.669 0.524 1
1 218 . 6 1 1 A 25 25 ASN CB C 25 38.289 38.429 -0.140 1
1 219 . 6 1 1 A 25 25 ASN N N 25 119.000 121.760 -2.760 1
1 221 . 6 1 1 A 26 26 SER HA H 26 4.045 3.993 0.052 1
1 224 . 6 1 1 A 26 26 SER C C 26 177.179 176.987 0.192 1
1 225 . 6 1 1 A 26 26 SER CA C 26 60.858 61.696 -0.838 1
1 226 . 6 1 1 A 26 26 SER CB C 26 61.697 62.822 -1.125 1
1 227 . 6 1 1 A 26 26 SER N N 26 116.000 113.634 2.366 1
1 228 . 6 1 1 A 27 27 HIS H H 27 6.761 7.698 -0.937 1
1 229 . 6 1 1 A 27 27 HIS HA H 27 4.413 4.165 0.248 1
1 234 . 6 1 1 A 27 27 HIS C C 27 178.164 177.145 1.019 1
1 235 . 6 1 1 A 27 27 HIS CA C 27 57.067 58.555 -1.488 1
1 236 . 6 1 1 A 27 27 HIS CB C 27 31.815 29.547 2.268 1
1 239 . 6 1 1 A 27 27 HIS N N 27 121.682 118.942 2.740 1
1 240 . 6 1 1 A 28 28 LEU H H 28 6.960 7.798 -0.838 1
1 241 . 6 1 1 A 28 28 LEU HA H 28 3.190 2.975 0.215 1
1 251 . 6 1 1 A 28 28 LEU C C 28 177.255 177.938 -0.683 1
1 252 . 6 1 1 A 28 28 LEU CA C 28 57.687 57.693 -0.006 1
1 253 . 6 1 1 A 28 28 LEU CB C 28 40.420 41.483 -1.063 1
1 257 . 6 1 1 A 28 28 LEU N N 28 122.330 120.540 1.790 1
1 258 . 6 1 1 A 29 29 ALA H H 29 8.293 8.742 -0.449 1
1 259 . 6 1 1 A 29 29 ALA HA H 29 3.936 3.929 0.007 1
1 263 . 6 1 1 A 29 29 ALA C C 29 180.550 179.824 0.726 1
1 264 . 6 1 1 A 29 29 ALA CA C 29 55.247 55.541 -0.294 1
1 265 . 6 1 1 A 29 29 ALA CB C 29 17.769 18.410 -0.641 1
1 266 . 6 1 1 A 29 29 ALA N N 29 121.027 120.756 0.271 1
1 267 . 6 1 1 A 30 30 ARG H H 30 7.470 7.794 -0.324 1
1 268 . 6 1 1 A 30 30 ARG HA H 30 3.986 3.985 0.001 1
1 275 . 6 1 1 A 30 30 ARG C C 30 178.649 178.639 0.010 1
1 276 . 6 1 1 A 30 30 ARG CA C 30 58.817 59.456 -0.639 1
1 277 . 6 1 1 A 30 30 ARG CB C 30 30.266 30.106 0.160 1
1 280 . 6 1 1 A 30 30 ARG N N 30 116.540 117.976 -1.436 1
1 281 . 6 1 1 A 31 31 HIS H H 31 7.639 8.032 -0.393 1
1 282 . 6 1 1 A 31 31 HIS HA H 31 4.238 4.140 0.098 1
1 287 . 6 1 1 A 31 31 HIS C C 31 176.034 176.645 -0.611 1
1 288 . 6 1 1 A 31 31 HIS CA C 31 58.663 59.940 -1.277 1
1 289 . 6 1 1 A 31 31 HIS CB C 31 28.646 29.559 -0.913 1
1 292 . 6 1 1 A 31 31 HIS N N 31 119.387 119.598 -0.211 1
1 293 . 6 1 1 A 32 32 ARG H H 32 8.158 8.279 -0.121 1
1 294 . 6 1 1 A 32 32 ARG HA H 32 3.677 3.959 -0.282 1
1 301 . 6 1 1 A 32 32 ARG C C 32 177.576 179.027 -1.451 1
1 302 . 6 1 1 A 32 32 ARG CA C 32 59.884 59.882 0.002 1
1 303 . 6 1 1 A 32 32 ARG CB C 32 29.827 29.970 -0.143 1
1 306 . 6 1 1 A 32 32 ARG N N 32 115.483 117.626 -2.143 1
1 307 . 6 1 1 A 33 33 ARG H H 33 7.069 7.941 -0.872 1
1 308 . 6 1 1 A 33 33 ARG HA H 33 4.130 4.196 -0.066 1
1 315 . 6 1 1 A 33 33 ARG C C 33 178.283 178.487 -0.204 1
1 316 . 6 1 1 A 33 33 ARG CA C 33 58.201 59.160 -0.959 1
1 317 . 6 1 1 A 33 33 ARG CB C 33 29.938 29.877 0.061 1
1 320 . 6 1 1 A 33 33 ARG N N 33 116.839 119.842 -3.003 1
1 321 . 6 1 1 A 34 34 VAL H H 34 7.920 8.091 -0.171 1
1 322 . 6 1 1 A 34 34 VAL HA H 34 3.904 3.734 0.170 1
1 330 . 6 1 1 A 34 34 VAL C C 34 177.122 178.030 -0.908 1
1 331 . 6 1 1 A 34 34 VAL CA C 34 63.913 65.578 -1.665 1
1 332 . 6 1 1 A 34 34 VAL CB C 34 31.126 31.025 0.101 1
1 335 . 6 1 1 A 34 34 VAL N N 34 116.036 117.175 -1.139 1
1 336 . 6 1 1 A 35 35 HIS H H 35 7.284 7.943 -0.659 1
1 337 . 6 1 1 A 35 35 HIS HA H 35 4.899 4.405 0.494 1
1 342 . 6 1 1 A 35 35 HIS C C 35 175.530 175.739 -0.209 1
1 343 . 6 1 1 A 35 35 HIS CA C 35 54.910 58.655 -3.745 1
1 344 . 6 1 1 A 35 35 HIS CB C 35 28.775 30.194 -1.419 1
1 347 . 6 1 1 A 35 35 HIS N N 35 117.360 120.087 -2.727 1
1 348 . 6 1 1 A 36 36 THR H H 36 7.787 7.334 0.453 1
1 349 . 6 1 1 A 36 36 THR HA H 36 4.408 4.070 0.338 1
1 354 . 6 1 1 A 36 36 THR C C 36 175.489 174.974 0.515 1
1 355 . 6 1 1 A 36 36 THR CA C 36 62.176 63.093 -0.917 1
1 356 . 6 1 1 A 36 36 THR CB C 36 69.788 68.664 1.124 1
1 358 . 6 1 1 A 36 36 THR N N 36 111.920 109.947 1.973 1
1 359 . 6 1 1 A 37 37 GLY H H 37 8.364 8.764 -0.400 1
1 360 . 6 1 1 A 37 37 GLY HA2 H 37 3.990 3.948 0.042 1
1 361 . 6 1 1 A 37 37 GLY HA3 H 37 3.990 3.952 0.038 1
1 362 . 6 1 1 A 37 37 GLY C C 37 174.709 174.117 0.592 1
1 363 . 6 1 1 A 37 37 GLY CA C 37 45.510 46.913 -1.403 1
1 364 . 6 1 1 A 37 37 GLY N N 37 111.087 112.989 -1.902 1
1 365 . 6 1 1 A 38 38 GLY H H 38 8.279 7.670 0.609 1
1 366 . 6 1 1 A 38 38 GLY HA2 H 38 3.940 4.093 -0.153 1
1 367 . 6 1 1 A 38 38 GLY HA3 H 38 3.940 4.099 -0.159 1
1 368 . 6 1 1 A 38 38 GLY C C 38 173.722 171.889 1.833 1
1 369 . 6 1 1 A 38 38 GLY CA C 38 45.104 45.341 -0.237 1
1 370 . 6 1 1 A 38 38 GLY N N 38 108.489 105.344 3.145 1
1 371 . 6 1 1 A 39 39 LYS H H 39 8.134 8.635 -0.501 1
1 372 . 6 1 1 A 39 39 LYS HA H 39 4.631 4.897 -0.266 1
1 381 . 6 1 1 A 39 39 LYS C C 39 174.669 175.871 -1.202 1
1 382 . 6 1 1 A 39 39 LYS CA C 39 54.141 53.170 0.971 1
1 383 . 6 1 1 A 39 39 LYS CB C 39 32.551 36.360 -3.809 1
1 387 . 6 1 1 A 39 39 LYS N N 39 121.858 120.646 1.212 1
1 388 . 6 1 1 A 40 40 PRO HA H 40 4.469 4.399 0.070 1
1 395 . 6 1 1 A 40 40 PRO CA C 40 63.236 65.036 -1.800 1
1 396 . 6 1 1 A 40 40 PRO CB C 40 32.213 32.021 0.192 1
1 399 . 6 1 1 A 42 42 GLY HA2 H 42 4.162 4.344 -0.182 1
1 400 . 6 1 1 A 42 42 GLY HA3 H 42 4.111 4.346 -0.235 1
1 401 . 6 1 1 A 42 42 GLY CA C 42 44.661 44.126 0.535 1
1 402 . 6 1 1 A 43 43 PRO HA H 43 4.476 4.482 -0.006 1
1 409 . 6 1 1 A 43 43 PRO CA C 43 63.406 64.072 -0.666 1
1 410 . 6 1 1 A 43 43 PRO CB C 43 32.308 31.382 0.926 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 4.033 3.968 0.065 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.033 3.974 0.059 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.556 174.973 -0.417 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.402 45.973 -0.571 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.151 8.633 -0.482 1
1 6 . 7 1 1 A 8 8 THR HA H 8 4.379 4.749 -0.370 1
1 11 . 7 1 1 A 8 8 THR C C 8 175.289 174.222 1.067 1
1 12 . 7 1 1 A 8 8 THR CA C 8 61.888 60.796 1.092 1
1 13 . 7 1 1 A 8 8 THR CB C 8 69.800 68.818 0.982 1
1 15 . 7 1 1 A 8 8 THR N N 8 112.871 115.764 -2.893 1
1 16 . 7 1 1 A 9 9 GLY H H 9 8.447 7.314 1.133 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 3.947 4.111 -0.164 1
1 18 . 7 1 1 A 9 9 GLY HA3 H 9 3.947 4.116 -0.169 1
1 19 . 7 1 1 A 9 9 GLY C C 9 174.028 172.990 1.038 1
1 20 . 7 1 1 A 9 9 GLY CA C 9 45.270 44.671 0.599 1
1 21 . 7 1 1 A 9 9 GLY N N 9 111.093 109.431 1.662 1
1 22 . 7 1 1 A 10 10 GLU H H 10 8.230 8.520 -0.290 1
1 23 . 7 1 1 A 10 10 GLU HA H 10 4.251 4.587 -0.336 1
1 28 . 7 1 1 A 10 10 GLU C C 10 176.261 175.592 0.669 1
1 29 . 7 1 1 A 10 10 GLU CA C 10 56.565 55.182 1.383 1
1 30 . 7 1 1 A 10 10 GLU CB C 10 30.519 28.805 1.714 1
1 32 . 7 1 1 A 10 10 GLU N N 10 120.586 120.273 0.313 1
1 33 . 7 1 1 A 11 11 LYS H H 11 8.317 8.155 0.162 1
1 34 . 7 1 1 A 11 11 LYS HA H 11 4.540 4.315 0.225 1
1 43 . 7 1 1 A 11 11 LYS C C 11 174.000 176.620 -2.620 1
1 44 . 7 1 1 A 11 11 LYS CA C 11 53.865 55.121 -1.256 1
1 45 . 7 1 1 A 11 11 LYS CB C 11 32.626 31.916 0.710 1
1 49 . 7 1 1 A 11 11 LYS N N 11 122.992 124.047 -1.055 1
1 50 . 7 1 1 A 12 12 PRO HA H 12 4.331 4.347 -0.016 1
1 57 . 7 1 1 A 12 12 PRO C C 12 176.455 175.812 0.643 1
1 58 . 7 1 1 A 12 12 PRO CA C 12 62.991 64.533 -1.542 1
1 59 . 7 1 1 A 12 12 PRO CB C 12 32.285 31.615 0.670 1
1 62 . 7 1 1 A 13 13 TYR H H 13 8.131 7.695 0.436 1
1 63 . 7 1 1 A 13 13 TYR HA H 13 4.607 5.002 -0.395 1
1 70 . 7 1 1 A 13 13 TYR C C 13 174.080 175.160 -1.080 1
1 71 . 7 1 1 A 13 13 TYR CA C 13 57.300 57.450 -0.150 1
1 72 . 7 1 1 A 13 13 TYR CB C 13 38.140 39.373 -1.233 1
1 77 . 7 1 1 A 13 13 TYR N N 13 119.838 118.311 1.527 1
1 78 . 7 1 1 A 14 14 LYS H H 14 8.387 8.738 -0.351 1
1 79 . 7 1 1 A 14 14 LYS HA H 14 5.090 5.107 -0.017 1
1 88 . 7 1 1 A 14 14 LYS C C 14 175.193 174.432 0.761 1
1 89 . 7 1 1 A 14 14 LYS CA C 14 54.801 55.718 -0.917 1
1 90 . 7 1 1 A 14 14 LYS CB C 14 36.002 36.683 -0.681 1
1 94 . 7 1 1 A 14 14 LYS N N 14 124.729 123.976 0.753 1
1 95 . 7 1 1 A 15 15 CYS H H 15 9.365 9.428 -0.063 1
1 96 . 7 1 1 A 15 15 CYS HA H 15 4.546 4.702 -0.156 1
1 99 . 7 1 1 A 15 15 CYS C C 15 176.812 175.925 0.887 1
1 100 . 7 1 1 A 15 15 CYS CA C 15 59.571 59.055 0.516 1
1 101 . 7 1 1 A 15 15 CYS CB C 15 29.635 28.530 1.105 1
1 102 . 7 1 1 A 15 15 CYS N N 15 127.942 124.002 3.940 1
1 103 . 7 1 1 A 16 16 ASN HA H 16 4.528 4.897 -0.369 1
1 108 . 7 1 1 A 16 16 ASN C C 16 175.388 175.553 -0.165 1
1 109 . 7 1 1 A 16 16 ASN CA C 16 55.505 53.755 1.750 1
1 110 . 7 1 1 A 16 16 ASN CB C 16 38.303 38.471 -0.168 1
1 112 . 7 1 1 A 17 17 GLU H H 17 8.730 7.607 1.123 1
1 113 . 7 1 1 A 17 17 GLU HA H 17 4.205 4.331 -0.126 1
1 118 . 7 1 1 A 17 17 GLU C C 17 177.141 178.126 -0.985 1
1 119 . 7 1 1 A 17 17 GLU CA C 17 58.686 57.825 0.861 1
1 120 . 7 1 1 A 17 17 GLU CB C 17 29.296 30.599 -1.303 1
1 122 . 7 1 1 A 17 17 GLU N N 17 120.847 118.068 2.779 1
1 123 . 7 1 1 A 18 18 CYS H H 18 7.941 8.092 -0.151 1
1 124 . 7 1 1 A 18 18 CYS HA H 18 5.174 4.615 0.559 1
1 127 . 7 1 1 A 18 18 CYS C C 18 176.186 175.228 0.958 1
1 128 . 7 1 1 A 18 18 CYS CA C 18 58.326 59.813 -1.487 1
1 129 . 7 1 1 A 18 18 CYS CB C 18 32.423 29.465 2.958 1
1 130 . 7 1 1 A 18 18 CYS N N 18 114.765 114.893 -0.128 1
1 131 . 7 1 1 A 19 19 GLY H H 19 8.207 8.022 0.185 1
1 132 . 7 1 1 A 19 19 GLY HA2 H 19 3.735 4.079 -0.344 1
1 133 . 7 1 1 A 19 19 GLY HA3 H 19 4.246 4.087 0.159 1
1 134 . 7 1 1 A 19 19 GLY C C 19 173.563 174.086 -0.523 1
1 135 . 7 1 1 A 19 19 GLY CA C 19 46.287 45.138 1.149 1
1 136 . 7 1 1 A 19 19 GLY N N 19 113.536 109.863 3.673 1
1 137 . 7 1 1 A 20 20 LYS H H 20 7.904 7.885 0.019 1
1 138 . 7 1 1 A 20 20 LYS HA H 20 3.984 4.319 -0.335 1
1 147 . 7 1 1 A 20 20 LYS C C 20 174.306 175.556 -1.250 1
1 148 . 7 1 1 A 20 20 LYS CA C 20 58.283 55.025 3.258 1
1 149 . 7 1 1 A 20 20 LYS CB C 20 33.875 33.405 0.470 1
1 153 . 7 1 1 A 20 20 LYS N N 20 122.594 119.135 3.459 1
1 154 . 7 1 1 A 21 21 VAL H H 21 7.635 8.282 -0.647 1
1 155 . 7 1 1 A 21 21 VAL HA H 21 4.756 4.638 0.118 1
1 163 . 7 1 1 A 21 21 VAL C C 21 175.180 174.547 0.633 1
1 164 . 7 1 1 A 21 21 VAL CA C 21 60.394 61.011 -0.617 1
1 165 . 7 1 1 A 21 21 VAL CB C 21 33.875 33.411 0.464 1
1 168 . 7 1 1 A 21 21 VAL N N 21 117.274 123.411 -6.137 1
1 169 . 7 1 1 A 22 22 PHE H H 22 8.752 9.039 -0.287 1
1 170 . 7 1 1 A 22 22 PHE HA H 22 4.895 4.943 -0.048 1
1 178 . 7 1 1 A 22 22 PHE C C 22 175.688 175.636 0.052 1
1 179 . 7 1 1 A 22 22 PHE CA C 22 56.949 56.578 0.371 1
1 180 . 7 1 1 A 22 22 PHE CB C 22 43.525 43.445 0.080 1
1 186 . 7 1 1 A 22 22 PHE N N 22 121.527 123.312 -1.785 1
1 187 . 7 1 1 A 23 23 THR H H 23 9.516 8.865 0.651 1
1 188 . 7 1 1 A 23 23 THR HA H 23 4.572 4.441 0.131 1
1 193 . 7 1 1 A 23 23 THR C C 23 174.880 173.790 1.090 1
1 194 . 7 1 1 A 23 23 THR CA C 23 63.272 63.672 -0.400 1
1 195 . 7 1 1 A 23 23 THR CB C 23 69.636 70.005 -0.369 1
1 197 . 7 1 1 A 23 23 THR N N 23 111.253 116.821 -5.568 1
1 198 . 7 1 1 A 24 24 GLN H H 24 7.074 7.696 -0.622 1
1 199 . 7 1 1 A 24 24 GLN HA H 24 4.531 4.098 0.433 1
1 206 . 7 1 1 A 24 24 GLN C C 24 175.849 175.191 0.658 1
1 207 . 7 1 1 A 24 24 GLN CA C 24 54.002 53.837 0.165 1
1 208 . 7 1 1 A 24 24 GLN CB C 24 32.066 31.710 0.356 1
1 210 . 7 1 1 A 24 24 GLN N N 24 115.274 118.025 -2.751 1
1 212 . 7 1 1 A 25 25 ASN HA H 25 3.618 4.126 -0.508 1
1 217 . 7 1 1 A 25 25 ASN CA C 25 56.193 57.145 -0.952 1
1 218 . 7 1 1 A 25 25 ASN CB C 25 38.289 38.761 -0.472 1
1 219 . 7 1 1 A 25 25 ASN N N 25 119.000 122.686 -3.686 1
1 221 . 7 1 1 A 26 26 SER HA H 26 4.045 4.012 0.033 1
1 224 . 7 1 1 A 26 26 SER C C 26 177.179 176.533 0.646 1
1 225 . 7 1 1 A 26 26 SER CA C 26 60.858 62.243 -1.385 1
1 226 . 7 1 1 A 26 26 SER CB C 26 61.697 62.413 -0.716 1
1 227 . 7 1 1 A 26 26 SER N N 26 116.000 115.667 0.333 1
1 228 . 7 1 1 A 27 27 HIS H H 27 6.761 7.612 -0.851 1
1 229 . 7 1 1 A 27 27 HIS HA H 27 4.413 4.299 0.114 1
1 234 . 7 1 1 A 27 27 HIS C C 27 178.164 177.447 0.717 1
1 235 . 7 1 1 A 27 27 HIS CA C 27 57.067 59.116 -2.049 1
1 236 . 7 1 1 A 27 27 HIS CB C 27 31.815 29.576 2.239 1
1 239 . 7 1 1 A 27 27 HIS N N 27 121.682 119.055 2.627 1
1 240 . 7 1 1 A 28 28 LEU H H 28 6.960 8.069 -1.109 1
1 241 . 7 1 1 A 28 28 LEU HA H 28 3.190 2.988 0.202 1
1 251 . 7 1 1 A 28 28 LEU C C 28 177.255 177.986 -0.731 1
1 252 . 7 1 1 A 28 28 LEU CA C 28 57.687 57.487 0.200 1
1 253 . 7 1 1 A 28 28 LEU CB C 28 40.420 41.551 -1.131 1
1 257 . 7 1 1 A 28 28 LEU N N 28 122.330 121.071 1.259 1
1 258 . 7 1 1 A 29 29 ALA H H 29 8.293 8.798 -0.505 1
1 259 . 7 1 1 A 29 29 ALA HA H 29 3.936 4.042 -0.106 1
1 263 . 7 1 1 A 29 29 ALA C C 29 180.550 179.671 0.879 1
1 264 . 7 1 1 A 29 29 ALA CA C 29 55.247 55.862 -0.615 1
1 265 . 7 1 1 A 29 29 ALA CB C 29 17.769 18.215 -0.446 1
1 266 . 7 1 1 A 29 29 ALA N N 29 121.027 121.214 -0.187 1
1 267 . 7 1 1 A 30 30 ARG H H 30 7.470 7.933 -0.463 1
1 268 . 7 1 1 A 30 30 ARG HA H 30 3.986 4.079 -0.093 1
1 275 . 7 1 1 A 30 30 ARG C C 30 178.649 178.411 0.238 1
1 276 . 7 1 1 A 30 30 ARG CA C 30 58.817 58.717 0.100 1
1 277 . 7 1 1 A 30 30 ARG CB C 30 30.266 30.048 0.218 1
1 280 . 7 1 1 A 30 30 ARG N N 30 116.540 117.159 -0.619 1
1 281 . 7 1 1 A 31 31 HIS H H 31 7.639 8.088 -0.449 1
1 282 . 7 1 1 A 31 31 HIS HA H 31 4.238 4.226 0.012 1
1 287 . 7 1 1 A 31 31 HIS C C 31 176.034 177.129 -1.095 1
1 288 . 7 1 1 A 31 31 HIS CA C 31 58.663 59.975 -1.312 1
1 289 . 7 1 1 A 31 31 HIS CB C 31 28.646 29.438 -0.792 1
1 292 . 7 1 1 A 31 31 HIS N N 31 119.387 120.263 -0.876 1
1 293 . 7 1 1 A 32 32 ARG H H 32 8.158 8.063 0.095 1
1 294 . 7 1 1 A 32 32 ARG HA H 32 3.677 3.926 -0.249 1
1 301 . 7 1 1 A 32 32 ARG C C 32 177.576 179.182 -1.606 1
1 302 . 7 1 1 A 32 32 ARG CA C 32 59.884 59.405 0.479 1
1 303 . 7 1 1 A 32 32 ARG CB C 32 29.827 29.998 -0.171 1
1 306 . 7 1 1 A 32 32 ARG N N 32 115.483 117.761 -2.278 1
1 307 . 7 1 1 A 33 33 ARG H H 33 7.069 7.713 -0.644 1
1 308 . 7 1 1 A 33 33 ARG HA H 33 4.130 4.346 -0.216 1
1 315 . 7 1 1 A 33 33 ARG C C 33 178.283 178.888 -0.605 1
1 316 . 7 1 1 A 33 33 ARG CA C 33 58.201 59.072 -0.871 1
1 317 . 7 1 1 A 33 33 ARG CB C 33 29.938 29.789 0.149 1
1 320 . 7 1 1 A 33 33 ARG N N 33 116.839 119.540 -2.701 1
1 321 . 7 1 1 A 34 34 VAL H H 34 7.920 7.952 -0.032 1
1 322 . 7 1 1 A 34 34 VAL HA H 34 3.904 3.725 0.179 1
1 330 . 7 1 1 A 34 34 VAL C C 34 177.122 176.983 0.139 1
1 331 . 7 1 1 A 34 34 VAL CA C 34 63.913 65.016 -1.103 1
1 332 . 7 1 1 A 34 34 VAL CB C 34 31.126 31.060 0.066 1
1 335 . 7 1 1 A 34 34 VAL N N 34 116.036 117.333 -1.297 1
1 336 . 7 1 1 A 35 35 HIS H H 35 7.284 7.540 -0.256 1
1 337 . 7 1 1 A 35 35 HIS HA H 35 4.899 4.506 0.393 1
1 342 . 7 1 1 A 35 35 HIS C C 35 175.530 175.321 0.209 1
1 343 . 7 1 1 A 35 35 HIS CA C 35 54.910 57.626 -2.716 1
1 344 . 7 1 1 A 35 35 HIS CB C 35 28.775 31.104 -2.329 1
1 347 . 7 1 1 A 35 35 HIS N N 35 117.360 119.047 -1.687 1
1 348 . 7 1 1 A 36 36 THR H H 36 7.787 7.554 0.233 1
1 349 . 7 1 1 A 36 36 THR HA H 36 4.408 4.091 0.317 1
1 354 . 7 1 1 A 36 36 THR C C 36 175.489 174.947 0.542 1
1 355 . 7 1 1 A 36 36 THR CA C 36 62.176 63.661 -1.485 1
1 356 . 7 1 1 A 36 36 THR CB C 36 69.788 68.444 1.344 1
1 358 . 7 1 1 A 36 36 THR N N 36 111.920 110.368 1.552 1
1 359 . 7 1 1 A 37 37 GLY H H 37 8.364 8.464 -0.100 1
1 360 . 7 1 1 A 37 37 GLY HA2 H 37 3.990 3.923 0.067 1
1 361 . 7 1 1 A 37 37 GLY HA3 H 37 3.990 3.928 0.062 1
1 362 . 7 1 1 A 37 37 GLY C C 37 174.709 174.249 0.460 1
1 363 . 7 1 1 A 37 37 GLY CA C 37 45.510 45.574 -0.064 1
1 364 . 7 1 1 A 37 37 GLY N N 37 111.087 114.077 -2.990 1
1 365 . 7 1 1 A 38 38 GLY H H 38 8.279 8.631 -0.352 1
1 366 . 7 1 1 A 38 38 GLY HA2 H 38 3.940 3.979 -0.039 1
1 367 . 7 1 1 A 38 38 GLY HA3 H 38 3.940 3.984 -0.044 1
1 368 . 7 1 1 A 38 38 GLY C C 38 173.722 174.331 -0.609 1
1 369 . 7 1 1 A 38 38 GLY CA C 38 45.104 46.995 -1.891 1
1 370 . 7 1 1 A 38 38 GLY N N 38 108.489 108.361 0.128 1
1 371 . 7 1 1 A 39 39 LYS H H 39 8.134 7.777 0.357 1
1 372 . 7 1 1 A 39 39 LYS HA H 39 4.631 4.834 -0.203 1
1 381 . 7 1 1 A 39 39 LYS C C 39 174.669 176.436 -1.767 1
1 382 . 7 1 1 A 39 39 LYS CA C 39 54.141 53.208 0.933 1
1 383 . 7 1 1 A 39 39 LYS CB C 39 32.551 33.569 -1.018 1
1 387 . 7 1 1 A 39 39 LYS N N 39 121.858 121.596 0.262 1
1 388 . 7 1 1 A 40 40 PRO HA H 40 4.469 4.479 -0.010 1
1 395 . 7 1 1 A 40 40 PRO CA C 40 63.236 64.181 -0.945 1
1 396 . 7 1 1 A 40 40 PRO CB C 40 32.213 31.691 0.522 1
1 399 . 7 1 1 A 42 42 GLY HA2 H 42 4.162 3.900 0.262 1
1 400 . 7 1 1 A 42 42 GLY HA3 H 42 4.111 3.906 0.205 1
1 401 . 7 1 1 A 42 42 GLY CA C 42 44.661 47.064 -2.403 1
1 402 . 7 1 1 A 43 43 PRO HA H 43 4.476 4.231 0.245 1
1 409 . 7 1 1 A 43 43 PRO CA C 43 63.406 65.378 -1.972 1
1 410 . 7 1 1 A 43 43 PRO CB C 43 32.308 31.580 0.728 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 4.033 3.943 0.090 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.033 3.948 0.085 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.556 174.666 -0.110 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.402 46.464 -1.062 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.151 8.453 -0.302 1
1 6 . 8 1 1 A 8 8 THR HA H 8 4.379 4.498 -0.119 1
1 11 . 8 1 1 A 8 8 THR C C 8 175.289 174.621 0.668 1
1 12 . 8 1 1 A 8 8 THR CA C 8 61.888 62.886 -0.998 1
1 13 . 8 1 1 A 8 8 THR CB C 8 69.800 70.553 -0.753 1
1 15 . 8 1 1 A 8 8 THR N N 8 112.871 121.073 -8.202 1
1 16 . 8 1 1 A 9 9 GLY H H 9 8.447 7.774 0.673 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 3.947 3.918 0.029 1
1 18 . 8 1 1 A 9 9 GLY HA3 H 9 3.947 3.933 0.014 1
1 19 . 8 1 1 A 9 9 GLY C C 9 174.028 172.830 1.198 1
1 20 . 8 1 1 A 9 9 GLY CA C 9 45.270 45.477 -0.207 1
1 21 . 8 1 1 A 9 9 GLY N N 9 111.093 109.114 1.979 1
1 22 . 8 1 1 A 10 10 GLU H H 10 8.230 8.985 -0.755 1
1 23 . 8 1 1 A 10 10 GLU HA H 10 4.251 5.145 -0.894 1
1 28 . 8 1 1 A 10 10 GLU C C 10 176.261 175.263 0.998 1
1 29 . 8 1 1 A 10 10 GLU CA C 10 56.565 55.312 1.253 1
1 30 . 8 1 1 A 10 10 GLU CB C 10 30.519 31.345 -0.826 1
1 32 . 8 1 1 A 10 10 GLU N N 10 120.586 121.691 -1.105 1
1 33 . 8 1 1 A 11 11 LYS H H 11 8.317 8.320 -0.003 1
1 34 . 8 1 1 A 11 11 LYS HA H 11 4.540 4.809 -0.269 1
1 43 . 8 1 1 A 11 11 LYS C C 11 174.000 176.176 -2.176 1
1 44 . 8 1 1 A 11 11 LYS CA C 11 53.865 53.192 0.673 1
1 45 . 8 1 1 A 11 11 LYS CB C 11 32.626 34.911 -2.285 1
1 49 . 8 1 1 A 11 11 LYS N N 11 122.992 124.326 -1.334 1
1 50 . 8 1 1 A 12 12 PRO HA H 12 4.331 4.311 0.020 1
1 57 . 8 1 1 A 12 12 PRO C C 12 176.455 175.881 0.574 1
1 58 . 8 1 1 A 12 12 PRO CA C 12 62.991 64.592 -1.601 1
1 59 . 8 1 1 A 12 12 PRO CB C 12 32.285 31.776 0.509 1
1 62 . 8 1 1 A 13 13 TYR H H 13 8.131 7.751 0.380 1
1 63 . 8 1 1 A 13 13 TYR HA H 13 4.607 4.794 -0.187 1
1 70 . 8 1 1 A 13 13 TYR C C 13 174.080 174.851 -0.771 1
1 71 . 8 1 1 A 13 13 TYR CA C 13 57.300 57.160 0.140 1
1 72 . 8 1 1 A 13 13 TYR CB C 13 38.140 38.251 -0.111 1
1 77 . 8 1 1 A 13 13 TYR N N 13 119.838 117.954 1.884 1
1 78 . 8 1 1 A 14 14 LYS H H 14 8.387 8.874 -0.487 1
1 79 . 8 1 1 A 14 14 LYS HA H 14 5.090 5.295 -0.205 1
1 88 . 8 1 1 A 14 14 LYS C C 14 175.193 174.318 0.875 1
1 89 . 8 1 1 A 14 14 LYS CA C 14 54.801 54.656 0.145 1
1 90 . 8 1 1 A 14 14 LYS CB C 14 36.002 36.304 -0.302 1
1 94 . 8 1 1 A 14 14 LYS N N 14 124.729 125.255 -0.526 1
1 95 . 8 1 1 A 15 15 CYS H H 15 9.365 9.282 0.083 1
1 96 . 8 1 1 A 15 15 CYS HA H 15 4.546 4.863 -0.317 1
1 99 . 8 1 1 A 15 15 CYS C C 15 176.812 176.015 0.797 1
1 100 . 8 1 1 A 15 15 CYS CA C 15 59.571 58.140 1.431 1
1 101 . 8 1 1 A 15 15 CYS CB C 15 29.635 29.993 -0.358 1
1 102 . 8 1 1 A 15 15 CYS N N 15 127.942 124.362 3.580 1
1 103 . 8 1 1 A 16 16 ASN HA H 16 4.528 4.909 -0.381 1
1 108 . 8 1 1 A 16 16 ASN C C 16 175.388 175.715 -0.327 1
1 109 . 8 1 1 A 16 16 ASN CA C 16 55.505 53.646 1.859 1
1 110 . 8 1 1 A 16 16 ASN CB C 16 38.303 38.604 -0.301 1
1 112 . 8 1 1 A 17 17 GLU H H 17 8.730 7.621 1.109 1
1 113 . 8 1 1 A 17 17 GLU HA H 17 4.205 4.254 -0.049 1
1 118 . 8 1 1 A 17 17 GLU C C 17 177.141 178.024 -0.883 1
1 119 . 8 1 1 A 17 17 GLU CA C 17 58.686 57.397 1.289 1
1 120 . 8 1 1 A 17 17 GLU CB C 17 29.296 30.431 -1.135 1
1 122 . 8 1 1 A 17 17 GLU N N 17 120.847 117.972 2.875 1
1 123 . 8 1 1 A 18 18 CYS H H 18 7.941 8.155 -0.214 1
1 124 . 8 1 1 A 18 18 CYS HA H 18 5.174 4.716 0.458 1
1 127 . 8 1 1 A 18 18 CYS C C 18 176.186 175.469 0.717 1
1 128 . 8 1 1 A 18 18 CYS CA C 18 58.326 59.762 -1.436 1
1 129 . 8 1 1 A 18 18 CYS CB C 18 32.423 29.943 2.480 1
1 130 . 8 1 1 A 18 18 CYS N N 18 114.765 114.958 -0.193 1
1 131 . 8 1 1 A 19 19 GLY H H 19 8.207 8.012 0.195 1
1 132 . 8 1 1 A 19 19 GLY HA2 H 19 3.735 4.085 -0.350 1
1 133 . 8 1 1 A 19 19 GLY HA3 H 19 4.246 4.092 0.154 1
1 134 . 8 1 1 A 19 19 GLY C C 19 173.563 174.107 -0.544 1
1 135 . 8 1 1 A 19 19 GLY CA C 19 46.287 45.142 1.145 1
1 136 . 8 1 1 A 19 19 GLY N N 19 113.536 109.774 3.762 1
1 137 . 8 1 1 A 20 20 LYS H H 20 7.904 7.922 -0.018 1
1 138 . 8 1 1 A 20 20 LYS HA H 20 3.984 4.486 -0.502 1
1 147 . 8 1 1 A 20 20 LYS C C 20 174.306 175.551 -1.245 1
1 148 . 8 1 1 A 20 20 LYS CA C 20 58.283 54.569 3.714 1
1 149 . 8 1 1 A 20 20 LYS CB C 20 33.875 33.993 -0.118 1
1 153 . 8 1 1 A 20 20 LYS N N 20 122.594 119.266 3.328 1
1 154 . 8 1 1 A 21 21 VAL H H 21 7.635 8.409 -0.774 1
1 155 . 8 1 1 A 21 21 VAL HA H 21 4.756 5.132 -0.376 1
1 163 . 8 1 1 A 21 21 VAL C C 21 175.180 174.371 0.809 1
1 164 . 8 1 1 A 21 21 VAL CA C 21 60.394 61.014 -0.620 1
1 165 . 8 1 1 A 21 21 VAL CB C 21 33.875 33.944 -0.069 1
1 168 . 8 1 1 A 21 21 VAL N N 21 117.274 123.257 -5.983 1
1 169 . 8 1 1 A 22 22 PHE H H 22 8.752 9.055 -0.303 1
1 170 . 8 1 1 A 22 22 PHE HA H 22 4.895 4.949 -0.054 1
1 178 . 8 1 1 A 22 22 PHE C C 22 175.688 175.580 0.108 1
1 179 . 8 1 1 A 22 22 PHE CA C 22 56.949 56.343 0.606 1
1 180 . 8 1 1 A 22 22 PHE CB C 22 43.525 43.713 -0.188 1
1 186 . 8 1 1 A 22 22 PHE N N 22 121.527 123.605 -2.078 1
1 187 . 8 1 1 A 23 23 THR H H 23 9.516 8.860 0.656 1
1 188 . 8 1 1 A 23 23 THR HA H 23 4.572 4.434 0.138 1
1 193 . 8 1 1 A 23 23 THR C C 23 174.880 173.791 1.089 1
1 194 . 8 1 1 A 23 23 THR CA C 23 63.272 63.697 -0.425 1
1 195 . 8 1 1 A 23 23 THR CB C 23 69.636 70.101 -0.465 1
1 197 . 8 1 1 A 23 23 THR N N 23 111.253 116.226 -4.973 1
1 198 . 8 1 1 A 24 24 GLN H H 24 7.074 7.684 -0.610 1
1 199 . 8 1 1 A 24 24 GLN HA H 24 4.531 4.077 0.454 1
1 206 . 8 1 1 A 24 24 GLN C C 24 175.849 174.943 0.906 1
1 207 . 8 1 1 A 24 24 GLN CA C 24 54.002 53.777 0.225 1
1 208 . 8 1 1 A 24 24 GLN CB C 24 32.066 31.175 0.891 1
1 210 . 8 1 1 A 24 24 GLN N N 24 115.274 117.555 -2.281 1
1 212 . 8 1 1 A 25 25 ASN HA H 25 3.618 4.291 -0.673 1
1 217 . 8 1 1 A 25 25 ASN CA C 25 56.193 56.974 -0.781 1
1 218 . 8 1 1 A 25 25 ASN CB C 25 38.289 38.672 -0.383 1
1 219 . 8 1 1 A 25 25 ASN N N 25 119.000 122.847 -3.847 1
1 221 . 8 1 1 A 26 26 SER HA H 26 4.045 4.000 0.045 1
1 224 . 8 1 1 A 26 26 SER C C 26 177.179 176.985 0.194 1
1 225 . 8 1 1 A 26 26 SER CA C 26 60.858 61.705 -0.847 1
1 226 . 8 1 1 A 26 26 SER CB C 26 61.697 62.749 -1.052 1
1 227 . 8 1 1 A 26 26 SER N N 26 116.000 113.932 2.068 1
1 228 . 8 1 1 A 27 27 HIS H H 27 6.761 7.704 -0.943 1
1 229 . 8 1 1 A 27 27 HIS HA H 27 4.413 4.291 0.122 1
1 234 . 8 1 1 A 27 27 HIS C C 27 178.164 177.515 0.649 1
1 235 . 8 1 1 A 27 27 HIS CA C 27 57.067 58.631 -1.564 1
1 236 . 8 1 1 A 27 27 HIS CB C 27 31.815 29.422 2.393 1
1 239 . 8 1 1 A 27 27 HIS N N 27 121.682 118.965 2.717 1
1 240 . 8 1 1 A 28 28 LEU H H 28 6.960 7.648 -0.688 1
1 241 . 8 1 1 A 28 28 LEU HA H 28 3.190 3.070 0.120 1
1 251 . 8 1 1 A 28 28 LEU C C 28 177.255 178.178 -0.923 1
1 252 . 8 1 1 A 28 28 LEU CA C 28 57.687 57.159 0.528 1
1 253 . 8 1 1 A 28 28 LEU CB C 28 40.420 41.580 -1.160 1
1 257 . 8 1 1 A 28 28 LEU N N 28 122.330 120.654 1.676 1
1 258 . 8 1 1 A 29 29 ALA H H 29 8.293 8.721 -0.428 1
1 259 . 8 1 1 A 29 29 ALA HA H 29 3.936 4.037 -0.101 1
1 263 . 8 1 1 A 29 29 ALA C C 29 180.550 179.484 1.066 1
1 264 . 8 1 1 A 29 29 ALA CA C 29 55.247 55.585 -0.338 1
1 265 . 8 1 1 A 29 29 ALA CB C 29 17.769 18.665 -0.896 1
1 266 . 8 1 1 A 29 29 ALA N N 29 121.027 121.050 -0.023 1
1 267 . 8 1 1 A 30 30 ARG H H 30 7.470 8.074 -0.604 1
1 268 . 8 1 1 A 30 30 ARG HA H 30 3.986 4.081 -0.095 1
1 275 . 8 1 1 A 30 30 ARG C C 30 178.649 178.303 0.346 1
1 276 . 8 1 1 A 30 30 ARG CA C 30 58.817 58.831 -0.014 1
1 277 . 8 1 1 A 30 30 ARG CB C 30 30.266 29.823 0.443 1
1 280 . 8 1 1 A 30 30 ARG N N 30 116.540 116.837 -0.297 1
1 281 . 8 1 1 A 31 31 HIS H H 31 7.639 7.799 -0.160 1
1 282 . 8 1 1 A 31 31 HIS HA H 31 4.238 4.208 0.030 1
1 287 . 8 1 1 A 31 31 HIS C C 31 176.034 176.963 -0.929 1
1 288 . 8 1 1 A 31 31 HIS CA C 31 58.663 59.539 -0.876 1
1 289 . 8 1 1 A 31 31 HIS CB C 31 28.646 29.891 -1.245 1
1 292 . 8 1 1 A 31 31 HIS N N 31 119.387 120.260 -0.873 1
1 293 . 8 1 1 A 32 32 ARG H H 32 8.158 8.193 -0.035 1
1 294 . 8 1 1 A 32 32 ARG HA H 32 3.677 3.921 -0.244 1
1 301 . 8 1 1 A 32 32 ARG C C 32 177.576 178.898 -1.322 1
1 302 . 8 1 1 A 32 32 ARG CA C 32 59.884 59.444 0.440 1
1 303 . 8 1 1 A 32 32 ARG CB C 32 29.827 29.936 -0.109 1
1 306 . 8 1 1 A 32 32 ARG N N 32 115.483 117.336 -1.853 1
1 307 . 8 1 1 A 33 33 ARG H H 33 7.069 8.050 -0.981 1
1 308 . 8 1 1 A 33 33 ARG HA H 33 4.130 3.968 0.162 1
1 315 . 8 1 1 A 33 33 ARG C C 33 178.283 178.625 -0.342 1
1 316 . 8 1 1 A 33 33 ARG CA C 33 58.201 59.166 -0.965 1
1 317 . 8 1 1 A 33 33 ARG CB C 33 29.938 29.721 0.217 1
1 320 . 8 1 1 A 33 33 ARG N N 33 116.839 120.170 -3.331 1
1 321 . 8 1 1 A 34 34 VAL H H 34 7.920 8.100 -0.180 1
1 322 . 8 1 1 A 34 34 VAL HA H 34 3.904 3.754 0.150 1
1 330 . 8 1 1 A 34 34 VAL C C 34 177.122 176.830 0.292 1
1 331 . 8 1 1 A 34 34 VAL CA C 34 63.913 65.466 -1.553 1
1 332 . 8 1 1 A 34 34 VAL CB C 34 31.126 31.001 0.125 1
1 335 . 8 1 1 A 34 34 VAL N N 34 116.036 117.343 -1.307 1
1 336 . 8 1 1 A 35 35 HIS H H 35 7.284 7.842 -0.558 1
1 337 . 8 1 1 A 35 35 HIS HA H 35 4.899 4.626 0.273 1
1 342 . 8 1 1 A 35 35 HIS C C 35 175.530 173.613 1.917 1
1 343 . 8 1 1 A 35 35 HIS CA C 35 54.910 54.387 0.523 1
1 344 . 8 1 1 A 35 35 HIS CB C 35 28.775 27.329 1.446 1
1 347 . 8 1 1 A 35 35 HIS N N 35 117.360 119.681 -2.321 1
1 348 . 8 1 1 A 36 36 THR H H 36 7.787 7.684 0.103 1
1 349 . 8 1 1 A 36 36 THR HA H 36 4.408 4.671 -0.263 1
1 354 . 8 1 1 A 36 36 THR C C 36 175.489 173.717 1.772 1
1 355 . 8 1 1 A 36 36 THR CA C 36 62.176 60.550 1.626 1
1 356 . 8 1 1 A 36 36 THR CB C 36 69.788 71.391 -1.603 1
1 358 . 8 1 1 A 36 36 THR N N 36 111.920 111.430 0.490 1
1 359 . 8 1 1 A 37 37 GLY H H 37 8.364 9.010 -0.646 1
1 360 . 8 1 1 A 37 37 GLY HA2 H 37 3.990 3.885 0.105 1
1 361 . 8 1 1 A 37 37 GLY HA3 H 37 3.990 3.889 0.101 1
1 362 . 8 1 1 A 37 37 GLY C C 37 174.709 175.848 -1.139 1
1 363 . 8 1 1 A 37 37 GLY CA C 37 45.510 47.154 -1.644 1
1 364 . 8 1 1 A 37 37 GLY N N 37 111.087 112.774 -1.687 1
1 365 . 8 1 1 A 38 38 GLY H H 38 8.279 8.046 0.233 1
1 366 . 8 1 1 A 38 38 GLY HA2 H 38 3.940 4.095 -0.155 1
1 367 . 8 1 1 A 38 38 GLY HA3 H 38 3.940 4.100 -0.160 1
1 368 . 8 1 1 A 38 38 GLY C C 38 173.722 174.362 -0.640 1
1 369 . 8 1 1 A 38 38 GLY CA C 38 45.104 45.352 -0.248 1
1 370 . 8 1 1 A 38 38 GLY N N 38 108.489 106.964 1.525 1
1 371 . 8 1 1 A 39 39 LYS H H 39 8.134 8.093 0.041 1
1 372 . 8 1 1 A 39 39 LYS HA H 39 4.631 4.009 0.622 1
1 381 . 8 1 1 A 39 39 LYS C C 39 174.669 177.334 -2.665 1
1 382 . 8 1 1 A 39 39 LYS CA C 39 54.141 57.125 -2.984 1
1 383 . 8 1 1 A 39 39 LYS CB C 39 32.551 30.809 1.742 1
1 387 . 8 1 1 A 39 39 LYS N N 39 121.858 118.675 3.183 1
1 388 . 8 1 1 A 40 40 PRO HA H 40 4.469 4.291 0.178 1
1 395 . 8 1 1 A 40 40 PRO CA C 40 63.236 65.405 -2.169 1
1 396 . 8 1 1 A 40 40 PRO CB C 40 32.213 31.062 1.151 1
1 399 . 8 1 1 A 42 42 GLY HA2 H 42 4.162 3.909 0.253 1
1 400 . 8 1 1 A 42 42 GLY HA3 H 42 4.111 3.913 0.198 1
1 401 . 8 1 1 A 42 42 GLY CA C 42 44.661 46.939 -2.278 1
1 402 . 8 1 1 A 43 43 PRO HA H 43 4.476 4.463 0.013 1
1 409 . 8 1 1 A 43 43 PRO CA C 43 63.406 64.945 -1.539 1
1 410 . 8 1 1 A 43 43 PRO CB C 43 32.308 32.166 0.142 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 4.033 3.864 0.169 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.033 3.865 0.168 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.556 174.011 0.545 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.402 46.988 -1.586 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.151 7.644 0.507 1
1 6 . 9 1 1 A 8 8 THR HA H 8 4.379 4.781 -0.402 1
1 11 . 9 1 1 A 8 8 THR C C 8 175.289 173.265 2.024 1
1 12 . 9 1 1 A 8 8 THR CA C 8 61.888 59.539 2.349 1
1 13 . 9 1 1 A 8 8 THR CB C 8 69.800 71.363 -1.563 1
1 15 . 9 1 1 A 8 8 THR N N 8 112.871 113.283 -0.412 1
1 16 . 9 1 1 A 9 9 GLY H H 9 8.447 8.866 -0.419 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 3.947 4.291 -0.344 1
1 18 . 9 1 1 A 9 9 GLY HA3 H 9 3.947 4.295 -0.348 1
1 19 . 9 1 1 A 9 9 GLY C C 9 174.028 172.180 1.848 1
1 20 . 9 1 1 A 9 9 GLY CA C 9 45.270 44.473 0.797 1
1 21 . 9 1 1 A 9 9 GLY N N 9 111.093 114.181 -3.088 1
1 22 . 9 1 1 A 10 10 GLU H H 10 8.230 8.790 -0.560 1
1 23 . 9 1 1 A 10 10 GLU HA H 10 4.251 4.522 -0.271 1
1 28 . 9 1 1 A 10 10 GLU C C 10 176.261 175.397 0.864 1
1 29 . 9 1 1 A 10 10 GLU CA C 10 56.565 55.659 0.906 1
1 30 . 9 1 1 A 10 10 GLU CB C 10 30.519 29.045 1.474 1
1 32 . 9 1 1 A 10 10 GLU N N 10 120.586 123.802 -3.216 1
1 33 . 9 1 1 A 11 11 LYS H H 11 8.317 8.062 0.255 1
1 34 . 9 1 1 A 11 11 LYS HA H 11 4.540 4.479 0.061 1
1 43 . 9 1 1 A 11 11 LYS C C 11 174.000 176.514 -2.514 1
1 44 . 9 1 1 A 11 11 LYS CA C 11 53.865 54.135 -0.270 1
1 45 . 9 1 1 A 11 11 LYS CB C 11 32.626 31.959 0.667 1
1 49 . 9 1 1 A 11 11 LYS N N 11 122.992 124.793 -1.801 1
1 50 . 9 1 1 A 12 12 PRO HA H 12 4.331 4.356 -0.025 1
1 57 . 9 1 1 A 12 12 PRO C C 12 176.455 175.740 0.715 1
1 58 . 9 1 1 A 12 12 PRO CA C 12 62.991 64.507 -1.516 1
1 59 . 9 1 1 A 12 12 PRO CB C 12 32.285 31.589 0.696 1
1 62 . 9 1 1 A 13 13 TYR H H 13 8.131 7.699 0.432 1
1 63 . 9 1 1 A 13 13 TYR HA H 13 4.607 4.834 -0.227 1
1 70 . 9 1 1 A 13 13 TYR C C 13 174.080 174.759 -0.679 1
1 71 . 9 1 1 A 13 13 TYR CA C 13 57.300 57.388 -0.088 1
1 72 . 9 1 1 A 13 13 TYR CB C 13 38.140 39.044 -0.904 1
1 77 . 9 1 1 A 13 13 TYR N N 13 119.838 118.152 1.686 1
1 78 . 9 1 1 A 14 14 LYS H H 14 8.387 8.865 -0.478 1
1 79 . 9 1 1 A 14 14 LYS HA H 14 5.090 5.336 -0.246 1
1 88 . 9 1 1 A 14 14 LYS C C 14 175.193 174.856 0.337 1
1 89 . 9 1 1 A 14 14 LYS CA C 14 54.801 54.690 0.111 1
1 90 . 9 1 1 A 14 14 LYS CB C 14 36.002 36.357 -0.355 1
1 94 . 9 1 1 A 14 14 LYS N N 14 124.729 124.472 0.257 1
1 95 . 9 1 1 A 15 15 CYS H H 15 9.365 9.408 -0.043 1
1 96 . 9 1 1 A 15 15 CYS HA H 15 4.546 4.696 -0.150 1
1 99 . 9 1 1 A 15 15 CYS C C 15 176.812 176.093 0.719 1
1 100 . 9 1 1 A 15 15 CYS CA C 15 59.571 58.671 0.900 1
1 101 . 9 1 1 A 15 15 CYS CB C 15 29.635 28.678 0.957 1
1 102 . 9 1 1 A 15 15 CYS N N 15 127.942 124.391 3.551 1
1 103 . 9 1 1 A 16 16 ASN HA H 16 4.528 5.033 -0.505 1
1 108 . 9 1 1 A 16 16 ASN C C 16 175.388 176.334 -0.946 1
1 109 . 9 1 1 A 16 16 ASN CA C 16 55.505 52.483 3.022 1
1 110 . 9 1 1 A 16 16 ASN CB C 16 38.303 38.681 -0.378 1
1 112 . 9 1 1 A 17 17 GLU H H 17 8.730 7.559 1.171 1
1 113 . 9 1 1 A 17 17 GLU HA H 17 4.205 4.291 -0.086 1
1 118 . 9 1 1 A 17 17 GLU C C 17 177.141 178.093 -0.952 1
1 119 . 9 1 1 A 17 17 GLU CA C 17 58.686 57.827 0.859 1
1 120 . 9 1 1 A 17 17 GLU CB C 17 29.296 30.546 -1.250 1
1 122 . 9 1 1 A 17 17 GLU N N 17 120.847 119.694 1.153 1
1 123 . 9 1 1 A 18 18 CYS H H 18 7.941 8.227 -0.286 1
1 124 . 9 1 1 A 18 18 CYS HA H 18 5.174 4.677 0.497 1
1 127 . 9 1 1 A 18 18 CYS C C 18 176.186 175.249 0.937 1
1 128 . 9 1 1 A 18 18 CYS CA C 18 58.326 59.752 -1.426 1
1 129 . 9 1 1 A 18 18 CYS CB C 18 32.423 29.841 2.582 1
1 130 . 9 1 1 A 18 18 CYS N N 18 114.765 115.157 -0.392 1
1 131 . 9 1 1 A 19 19 GLY H H 19 8.207 8.024 0.183 1
1 132 . 9 1 1 A 19 19 GLY HA2 H 19 3.735 4.091 -0.356 1
1 133 . 9 1 1 A 19 19 GLY HA3 H 19 4.246 4.100 0.146 1
1 134 . 9 1 1 A 19 19 GLY C C 19 173.563 174.250 -0.687 1
1 135 . 9 1 1 A 19 19 GLY CA C 19 46.287 45.178 1.109 1
1 136 . 9 1 1 A 19 19 GLY N N 19 113.536 109.856 3.680 1
1 137 . 9 1 1 A 20 20 LYS H H 20 7.904 7.872 0.032 1
1 138 . 9 1 1 A 20 20 LYS HA H 20 3.984 4.588 -0.604 1
1 147 . 9 1 1 A 20 20 LYS C C 20 174.306 175.589 -1.283 1
1 148 . 9 1 1 A 20 20 LYS CA C 20 58.283 54.949 3.334 1
1 149 . 9 1 1 A 20 20 LYS CB C 20 33.875 34.422 -0.547 1
1 153 . 9 1 1 A 20 20 LYS N N 20 122.594 119.166 3.428 1
1 154 . 9 1 1 A 21 21 VAL H H 21 7.635 8.097 -0.462 1
1 155 . 9 1 1 A 21 21 VAL HA H 21 4.756 4.947 -0.191 1
1 163 . 9 1 1 A 21 21 VAL C C 21 175.180 174.053 1.127 1
1 164 . 9 1 1 A 21 21 VAL CA C 21 60.394 59.979 0.415 1
1 165 . 9 1 1 A 21 21 VAL CB C 21 33.875 35.920 -2.045 1
1 168 . 9 1 1 A 21 21 VAL N N 21 117.274 119.658 -2.384 1
1 169 . 9 1 1 A 22 22 PHE H H 22 8.752 9.179 -0.427 1
1 170 . 9 1 1 A 22 22 PHE HA H 22 4.895 5.011 -0.116 1
1 178 . 9 1 1 A 22 22 PHE C C 22 175.688 175.446 0.242 1
1 179 . 9 1 1 A 22 22 PHE CA C 22 56.949 56.502 0.447 1
1 180 . 9 1 1 A 22 22 PHE CB C 22 43.525 43.382 0.143 1
1 186 . 9 1 1 A 22 22 PHE N N 22 121.527 123.616 -2.089 1
1 187 . 9 1 1 A 23 23 THR H H 23 9.516 8.825 0.691 1
1 188 . 9 1 1 A 23 23 THR HA H 23 4.572 4.519 0.053 1
1 193 . 9 1 1 A 23 23 THR C C 23 174.880 174.162 0.718 1
1 194 . 9 1 1 A 23 23 THR CA C 23 63.272 64.142 -0.870 1
1 195 . 9 1 1 A 23 23 THR CB C 23 69.636 69.952 -0.316 1
1 197 . 9 1 1 A 23 23 THR N N 23 111.253 116.456 -5.203 1
1 198 . 9 1 1 A 24 24 GLN H H 24 7.074 7.677 -0.603 1
1 199 . 9 1 1 A 24 24 GLN HA H 24 4.531 4.302 0.229 1
1 206 . 9 1 1 A 24 24 GLN C C 24 175.849 175.367 0.482 1
1 207 . 9 1 1 A 24 24 GLN CA C 24 54.002 53.941 0.061 1
1 208 . 9 1 1 A 24 24 GLN CB C 24 32.066 30.444 1.622 1
1 210 . 9 1 1 A 24 24 GLN N N 24 115.274 118.464 -3.190 1
1 212 . 9 1 1 A 25 25 ASN HA H 25 3.618 3.779 -0.161 1
1 217 . 9 1 1 A 25 25 ASN CA C 25 56.193 56.183 0.010 1
1 218 . 9 1 1 A 25 25 ASN CB C 25 38.289 38.098 0.191 1
1 219 . 9 1 1 A 25 25 ASN N N 25 119.000 122.832 -3.832 1
1 221 . 9 1 1 A 26 26 SER HA H 26 4.045 4.050 -0.005 1
1 224 . 9 1 1 A 26 26 SER C C 26 177.179 176.545 0.634 1
1 225 . 9 1 1 A 26 26 SER CA C 26 60.858 62.286 -1.428 1
1 226 . 9 1 1 A 26 26 SER CB C 26 61.697 62.727 -1.030 1
1 227 . 9 1 1 A 26 26 SER N N 26 116.000 116.712 -0.712 1
1 228 . 9 1 1 A 27 27 HIS H H 27 6.761 7.691 -0.930 1
1 229 . 9 1 1 A 27 27 HIS HA H 27 4.413 4.206 0.207 1
1 234 . 9 1 1 A 27 27 HIS C C 27 178.164 177.400 0.764 1
1 235 . 9 1 1 A 27 27 HIS CA C 27 57.067 58.597 -1.530 1
1 236 . 9 1 1 A 27 27 HIS CB C 27 31.815 29.651 2.164 1
1 239 . 9 1 1 A 27 27 HIS N N 27 121.682 119.299 2.383 1
1 240 . 9 1 1 A 28 28 LEU H H 28 6.960 7.427 -0.467 1
1 241 . 9 1 1 A 28 28 LEU HA H 28 3.190 3.131 0.059 1
1 251 . 9 1 1 A 28 28 LEU C C 28 177.255 178.141 -0.886 1
1 252 . 9 1 1 A 28 28 LEU CA C 28 57.687 57.547 0.140 1
1 253 . 9 1 1 A 28 28 LEU CB C 28 40.420 41.239 -0.819 1
1 257 . 9 1 1 A 28 28 LEU N N 28 122.330 120.490 1.840 1
1 258 . 9 1 1 A 29 29 ALA H H 29 8.293 8.738 -0.445 1
1 259 . 9 1 1 A 29 29 ALA HA H 29 3.936 3.896 0.040 1
1 263 . 9 1 1 A 29 29 ALA C C 29 180.550 179.542 1.008 1
1 264 . 9 1 1 A 29 29 ALA CA C 29 55.247 55.468 -0.221 1
1 265 . 9 1 1 A 29 29 ALA CB C 29 17.769 18.356 -0.587 1
1 266 . 9 1 1 A 29 29 ALA N N 29 121.027 121.393 -0.366 1
1 267 . 9 1 1 A 30 30 ARG H H 30 7.470 8.232 -0.762 1
1 268 . 9 1 1 A 30 30 ARG HA H 30 3.986 4.071 -0.085 1
1 275 . 9 1 1 A 30 30 ARG C C 30 178.649 178.461 0.188 1
1 276 . 9 1 1 A 30 30 ARG CA C 30 58.817 59.084 -0.267 1
1 277 . 9 1 1 A 30 30 ARG CB C 30 30.266 29.832 0.434 1
1 280 . 9 1 1 A 30 30 ARG N N 30 116.540 116.972 -0.432 1
1 281 . 9 1 1 A 31 31 HIS H H 31 7.639 8.244 -0.605 1
1 282 . 9 1 1 A 31 31 HIS HA H 31 4.238 4.145 0.093 1
1 287 . 9 1 1 A 31 31 HIS C C 31 176.034 176.493 -0.459 1
1 288 . 9 1 1 A 31 31 HIS CA C 31 58.663 59.905 -1.242 1
1 289 . 9 1 1 A 31 31 HIS CB C 31 28.646 29.537 -0.891 1
1 292 . 9 1 1 A 31 31 HIS N N 31 119.387 120.191 -0.804 1
1 293 . 9 1 1 A 32 32 ARG H H 32 8.158 7.995 0.163 1
1 294 . 9 1 1 A 32 32 ARG HA H 32 3.677 3.858 -0.181 1
1 301 . 9 1 1 A 32 32 ARG C C 32 177.576 178.874 -1.298 1
1 302 . 9 1 1 A 32 32 ARG CA C 32 59.884 59.649 0.235 1
1 303 . 9 1 1 A 32 32 ARG CB C 32 29.827 29.969 -0.142 1
1 306 . 9 1 1 A 32 32 ARG N N 32 115.483 116.902 -1.419 1
1 307 . 9 1 1 A 33 33 ARG H H 33 7.069 7.957 -0.888 1
1 308 . 9 1 1 A 33 33 ARG HA H 33 4.130 4.240 -0.110 1
1 315 . 9 1 1 A 33 33 ARG C C 33 178.283 178.501 -0.218 1
1 316 . 9 1 1 A 33 33 ARG CA C 33 58.201 59.243 -1.042 1
1 317 . 9 1 1 A 33 33 ARG CB C 33 29.938 29.783 0.155 1
1 320 . 9 1 1 A 33 33 ARG N N 33 116.839 120.063 -3.224 1
1 321 . 9 1 1 A 34 34 VAL H H 34 7.920 8.272 -0.352 1
1 322 . 9 1 1 A 34 34 VAL HA H 34 3.904 3.743 0.161 1
1 330 . 9 1 1 A 34 34 VAL C C 34 177.122 178.031 -0.909 1
1 331 . 9 1 1 A 34 34 VAL CA C 34 63.913 65.562 -1.649 1
1 332 . 9 1 1 A 34 34 VAL CB C 34 31.126 31.221 -0.095 1
1 335 . 9 1 1 A 34 34 VAL N N 34 116.036 117.295 -1.259 1
1 336 . 9 1 1 A 35 35 HIS H H 35 7.284 7.814 -0.530 1
1 337 . 9 1 1 A 35 35 HIS HA H 35 4.899 4.342 0.557 1
1 342 . 9 1 1 A 35 35 HIS C C 35 175.530 175.060 0.470 1
1 343 . 9 1 1 A 35 35 HIS CA C 35 54.910 58.576 -3.666 1
1 344 . 9 1 1 A 35 35 HIS CB C 35 28.775 30.556 -1.781 1
1 347 . 9 1 1 A 35 35 HIS N N 35 117.360 119.746 -2.386 1
1 348 . 9 1 1 A 36 36 THR H H 36 7.787 7.888 -0.101 1
1 349 . 9 1 1 A 36 36 THR HA H 36 4.408 4.535 -0.127 1
1 354 . 9 1 1 A 36 36 THR C C 36 175.489 173.859 1.630 1
1 355 . 9 1 1 A 36 36 THR CA C 36 62.176 59.596 2.580 1
1 356 . 9 1 1 A 36 36 THR CB C 36 69.788 72.092 -2.304 1
1 358 . 9 1 1 A 36 36 THR N N 36 111.920 110.882 1.038 1
1 359 . 9 1 1 A 37 37 GLY H H 37 8.364 8.319 0.045 1
1 360 . 9 1 1 A 37 37 GLY HA2 H 37 3.990 3.969 0.021 1
1 361 . 9 1 1 A 37 37 GLY HA3 H 37 3.990 3.974 0.016 1
1 362 . 9 1 1 A 37 37 GLY C C 37 174.709 175.899 -1.190 1
1 363 . 9 1 1 A 37 37 GLY CA C 37 45.510 45.240 0.270 1
1 364 . 9 1 1 A 37 37 GLY N N 37 111.087 115.855 -4.768 1
1 365 . 9 1 1 A 38 38 GLY H H 38 8.279 8.204 0.075 1
1 366 . 9 1 1 A 38 38 GLY HA2 H 38 3.940 3.738 0.202 1
1 367 . 9 1 1 A 38 38 GLY HA3 H 38 3.940 3.740 0.200 1
1 368 . 9 1 1 A 38 38 GLY C C 38 173.722 175.596 -1.874 1
1 369 . 9 1 1 A 38 38 GLY CA C 38 45.104 47.335 -2.231 1
1 370 . 9 1 1 A 38 38 GLY N N 38 108.489 108.375 0.114 1
1 371 . 9 1 1 A 39 39 LYS H H 39 8.134 7.676 0.458 1
1 372 . 9 1 1 A 39 39 LYS HA H 39 4.631 4.361 0.270 1
1 381 . 9 1 1 A 39 39 LYS C C 39 174.669 174.922 -0.253 1
1 382 . 9 1 1 A 39 39 LYS CA C 39 54.141 55.243 -1.102 1
1 383 . 9 1 1 A 39 39 LYS CB C 39 32.551 31.593 0.958 1
1 387 . 9 1 1 A 39 39 LYS N N 39 121.858 120.812 1.046 1
1 388 . 9 1 1 A 40 40 PRO HA H 40 4.469 4.632 -0.163 1
1 395 . 9 1 1 A 40 40 PRO CA C 40 63.236 62.369 0.867 1
1 396 . 9 1 1 A 40 40 PRO CB C 40 32.213 29.965 2.248 1
1 399 . 9 1 1 A 42 42 GLY HA2 H 42 4.162 4.066 0.096 1
1 400 . 9 1 1 A 42 42 GLY HA3 H 42 4.111 4.067 0.044 1
1 401 . 9 1 1 A 42 42 GLY CA C 42 44.661 44.791 -0.130 1
1 402 . 9 1 1 A 43 43 PRO HA H 43 4.476 4.721 -0.245 1
1 409 . 9 1 1 A 43 43 PRO CA C 43 63.406 62.589 0.817 1
1 410 . 9 1 1 A 43 43 PRO CB C 43 32.308 30.535 1.773 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 4.033 4.387 -0.354 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.033 4.388 -0.355 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.556 171.654 2.902 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.402 44.678 0.724 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.151 8.554 -0.403 1
1 6 . 10 1 1 A 8 8 THR HA H 8 4.379 5.132 -0.753 1
1 11 . 10 1 1 A 8 8 THR C C 8 175.289 174.255 1.034 1
1 12 . 10 1 1 A 8 8 THR CA C 8 61.888 60.876 1.012 1
1 13 . 10 1 1 A 8 8 THR CB C 8 69.800 70.826 -1.026 1
1 15 . 10 1 1 A 8 8 THR N N 8 112.871 114.977 -2.106 1
1 16 . 10 1 1 A 9 9 GLY H H 9 8.447 8.370 0.077 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 3.947 4.178 -0.231 1
1 18 . 10 1 1 A 9 9 GLY HA3 H 9 3.947 4.178 -0.231 1
1 19 . 10 1 1 A 9 9 GLY C C 9 174.028 171.736 2.292 1
1 20 . 10 1 1 A 9 9 GLY CA C 9 45.270 46.021 -0.751 1
1 21 . 10 1 1 A 9 9 GLY N N 9 111.093 112.203 -1.110 1
1 22 . 10 1 1 A 10 10 GLU H H 10 8.230 8.631 -0.401 1
1 23 . 10 1 1 A 10 10 GLU HA H 10 4.251 4.788 -0.537 1
1 28 . 10 1 1 A 10 10 GLU C C 10 176.261 175.220 1.041 1
1 29 . 10 1 1 A 10 10 GLU CA C 10 56.565 55.095 1.470 1
1 30 . 10 1 1 A 10 10 GLU CB C 10 30.519 30.838 -0.319 1
1 32 . 10 1 1 A 10 10 GLU N N 10 120.586 121.454 -0.868 1
1 33 . 10 1 1 A 11 11 LYS H H 11 8.317 8.341 -0.024 1
1 34 . 10 1 1 A 11 11 LYS HA H 11 4.540 5.050 -0.510 1
1 43 . 10 1 1 A 11 11 LYS C C 11 174.000 175.336 -1.336 1
1 44 . 10 1 1 A 11 11 LYS CA C 11 53.865 53.448 0.417 1
1 45 . 10 1 1 A 11 11 LYS CB C 11 32.626 33.139 -0.513 1
1 49 . 10 1 1 A 11 11 LYS N N 11 122.992 126.248 -3.256 1
1 50 . 10 1 1 A 12 12 PRO HA H 12 4.331 4.445 -0.114 1
1 57 . 10 1 1 A 12 12 PRO C C 12 176.455 175.794 0.661 1
1 58 . 10 1 1 A 12 12 PRO CA C 12 62.991 64.477 -1.486 1
1 59 . 10 1 1 A 12 12 PRO CB C 12 32.285 31.538 0.747 1
1 62 . 10 1 1 A 13 13 TYR H H 13 8.131 7.574 0.557 1
1 63 . 10 1 1 A 13 13 TYR HA H 13 4.607 4.744 -0.137 1
1 70 . 10 1 1 A 13 13 TYR C C 13 174.080 174.915 -0.835 1
1 71 . 10 1 1 A 13 13 TYR CA C 13 57.300 57.612 -0.312 1
1 72 . 10 1 1 A 13 13 TYR CB C 13 38.140 38.597 -0.457 1
1 77 . 10 1 1 A 13 13 TYR N N 13 119.838 118.426 1.412 1
1 78 . 10 1 1 A 14 14 LYS H H 14 8.387 8.886 -0.499 1
1 79 . 10 1 1 A 14 14 LYS HA H 14 5.090 5.325 -0.235 1
1 88 . 10 1 1 A 14 14 LYS C C 14 175.193 175.114 0.079 1
1 89 . 10 1 1 A 14 14 LYS CA C 14 54.801 54.538 0.263 1
1 90 . 10 1 1 A 14 14 LYS CB C 14 36.002 36.306 -0.304 1
1 94 . 10 1 1 A 14 14 LYS N N 14 124.729 125.074 -0.345 1
1 95 . 10 1 1 A 15 15 CYS H H 15 9.365 9.366 -0.001 1
1 96 . 10 1 1 A 15 15 CYS HA H 15 4.546 4.699 -0.153 1
1 99 . 10 1 1 A 15 15 CYS C C 15 176.812 175.701 1.111 1
1 100 . 10 1 1 A 15 15 CYS CA C 15 59.571 59.129 0.442 1
1 101 . 10 1 1 A 15 15 CYS CB C 15 29.635 28.594 1.041 1
1 102 . 10 1 1 A 15 15 CYS N N 15 127.942 124.495 3.447 1
1 103 . 10 1 1 A 16 16 ASN HA H 16 4.528 4.956 -0.428 1
1 108 . 10 1 1 A 16 16 ASN C C 16 175.388 175.553 -0.165 1
1 109 . 10 1 1 A 16 16 ASN CA C 16 55.505 53.564 1.941 1
1 110 . 10 1 1 A 16 16 ASN CB C 16 38.303 38.583 -0.280 1
1 112 . 10 1 1 A 17 17 GLU H H 17 8.730 7.673 1.057 1
1 113 . 10 1 1 A 17 17 GLU HA H 17 4.205 4.311 -0.106 1
1 118 . 10 1 1 A 17 17 GLU C C 17 177.141 177.958 -0.817 1
1 119 . 10 1 1 A 17 17 GLU CA C 17 58.686 57.655 1.031 1
1 120 . 10 1 1 A 17 17 GLU CB C 17 29.296 30.620 -1.324 1
1 122 . 10 1 1 A 17 17 GLU N N 17 120.847 118.109 2.738 1
1 123 . 10 1 1 A 18 18 CYS H H 18 7.941 8.179 -0.238 1
1 124 . 10 1 1 A 18 18 CYS HA H 18 5.174 4.672 0.502 1
1 127 . 10 1 1 A 18 18 CYS C C 18 176.186 175.349 0.837 1
1 128 . 10 1 1 A 18 18 CYS CA C 18 58.326 59.767 -1.441 1
1 129 . 10 1 1 A 18 18 CYS CB C 18 32.423 29.932 2.491 1
1 130 . 10 1 1 A 18 18 CYS N N 18 114.765 115.153 -0.388 1
1 131 . 10 1 1 A 19 19 GLY H H 19 8.207 8.044 0.163 1
1 132 . 10 1 1 A 19 19 GLY HA2 H 19 3.735 4.082 -0.347 1
1 133 . 10 1 1 A 19 19 GLY HA3 H 19 4.246 4.090 0.156 1
1 134 . 10 1 1 A 19 19 GLY C C 19 173.563 174.232 -0.669 1
1 135 . 10 1 1 A 19 19 GLY CA C 19 46.287 45.219 1.068 1
1 136 . 10 1 1 A 19 19 GLY N N 19 113.536 110.090 3.446 1
1 137 . 10 1 1 A 20 20 LYS H H 20 7.904 7.977 -0.073 1
1 138 . 10 1 1 A 20 20 LYS HA H 20 3.984 4.568 -0.584 1
1 147 . 10 1 1 A 20 20 LYS C C 20 174.306 175.506 -1.200 1
1 148 . 10 1 1 A 20 20 LYS CA C 20 58.283 54.777 3.506 1
1 149 . 10 1 1 A 20 20 LYS CB C 20 33.875 34.419 -0.544 1
1 153 . 10 1 1 A 20 20 LYS N N 20 122.594 118.832 3.762 1
1 154 . 10 1 1 A 21 21 VAL H H 21 7.635 8.000 -0.365 1
1 155 . 10 1 1 A 21 21 VAL HA H 21 4.756 4.877 -0.121 1
1 163 . 10 1 1 A 21 21 VAL C C 21 175.180 173.987 1.193 1
1 164 . 10 1 1 A 21 21 VAL CA C 21 60.394 60.063 0.331 1
1 165 . 10 1 1 A 21 21 VAL CB C 21 33.875 36.149 -2.274 1
1 168 . 10 1 1 A 21 21 VAL N N 21 117.274 119.576 -2.302 1
1 169 . 10 1 1 A 22 22 PHE H H 22 8.752 9.176 -0.424 1
1 170 . 10 1 1 A 22 22 PHE HA H 22 4.895 4.963 -0.068 1
1 178 . 10 1 1 A 22 22 PHE C C 22 175.688 175.692 -0.004 1
1 179 . 10 1 1 A 22 22 PHE CA C 22 56.949 56.543 0.406 1
1 180 . 10 1 1 A 22 22 PHE CB C 22 43.525 43.292 0.233 1
1 186 . 10 1 1 A 22 22 PHE N N 22 121.527 123.640 -2.113 1
1 187 . 10 1 1 A 23 23 THR H H 23 9.516 8.913 0.603 1
1 188 . 10 1 1 A 23 23 THR HA H 23 4.572 4.684 -0.112 1
1 193 . 10 1 1 A 23 23 THR C C 23 174.880 173.767 1.113 1
1 194 . 10 1 1 A 23 23 THR CA C 23 63.272 62.888 0.384 1
1 195 . 10 1 1 A 23 23 THR CB C 23 69.636 69.868 -0.232 1
1 197 . 10 1 1 A 23 23 THR N N 23 111.253 117.042 -5.789 1
1 198 . 10 1 1 A 24 24 GLN H H 24 7.074 7.484 -0.410 1
1 199 . 10 1 1 A 24 24 GLN HA H 24 4.531 4.263 0.268 1
1 206 . 10 1 1 A 24 24 GLN C C 24 175.849 175.133 0.716 1
1 207 . 10 1 1 A 24 24 GLN CA C 24 54.002 54.169 -0.167 1
1 208 . 10 1 1 A 24 24 GLN CB C 24 32.066 31.747 0.319 1
1 210 . 10 1 1 A 24 24 GLN N N 24 115.274 119.537 -4.263 1
1 212 . 10 1 1 A 25 25 ASN HA H 25 3.618 3.970 -0.352 1
1 217 . 10 1 1 A 25 25 ASN CA C 25 56.193 55.742 0.451 1
1 218 . 10 1 1 A 25 25 ASN CB C 25 38.289 37.952 0.337 1
1 219 . 10 1 1 A 25 25 ASN N N 25 119.000 122.481 -3.481 1
1 221 . 10 1 1 A 26 26 SER HA H 26 4.045 4.002 0.043 1
1 224 . 10 1 1 A 26 26 SER C C 26 177.179 176.461 0.718 1
1 225 . 10 1 1 A 26 26 SER CA C 26 60.858 62.265 -1.407 1
1 226 . 10 1 1 A 26 26 SER CB C 26 61.697 62.819 -1.122 1
1 227 . 10 1 1 A 26 26 SER N N 26 116.000 116.461 -0.461 1
1 228 . 10 1 1 A 27 27 HIS H H 27 6.761 7.597 -0.836 1
1 229 . 10 1 1 A 27 27 HIS HA H 27 4.413 4.228 0.185 1
1 234 . 10 1 1 A 27 27 HIS C C 27 178.164 177.600 0.564 1
1 235 . 10 1 1 A 27 27 HIS CA C 27 57.067 58.972 -1.905 1
1 236 . 10 1 1 A 27 27 HIS CB C 27 31.815 29.623 2.192 1
1 239 . 10 1 1 A 27 27 HIS N N 27 121.682 119.260 2.422 1
1 240 . 10 1 1 A 28 28 LEU H H 28 6.960 7.474 -0.514 1
1 241 . 10 1 1 A 28 28 LEU HA H 28 3.190 3.006 0.184 1
1 251 . 10 1 1 A 28 28 LEU C C 28 177.255 178.411 -1.156 1
1 252 . 10 1 1 A 28 28 LEU CA C 28 57.687 57.308 0.379 1
1 253 . 10 1 1 A 28 28 LEU CB C 28 40.420 41.302 -0.882 1
1 257 . 10 1 1 A 28 28 LEU N N 28 122.330 120.788 1.542 1
1 258 . 10 1 1 A 29 29 ALA H H 29 8.293 8.169 0.124 1
1 259 . 10 1 1 A 29 29 ALA HA H 29 3.936 3.962 -0.026 1
1 263 . 10 1 1 A 29 29 ALA C C 29 180.550 179.344 1.206 1
1 264 . 10 1 1 A 29 29 ALA CA C 29 55.247 55.338 -0.091 1
1 265 . 10 1 1 A 29 29 ALA CB C 29 17.769 18.213 -0.444 1
1 266 . 10 1 1 A 29 29 ALA N N 29 121.027 121.252 -0.225 1
1 267 . 10 1 1 A 30 30 ARG H H 30 7.470 8.168 -0.698 1
1 268 . 10 1 1 A 30 30 ARG HA H 30 3.986 4.071 -0.085 1
1 275 . 10 1 1 A 30 30 ARG C C 30 178.649 178.378 0.271 1
1 276 . 10 1 1 A 30 30 ARG CA C 30 58.817 58.742 0.075 1
1 277 . 10 1 1 A 30 30 ARG CB C 30 30.266 29.915 0.351 1
1 280 . 10 1 1 A 30 30 ARG N N 30 116.540 117.068 -0.528 1
1 281 . 10 1 1 A 31 31 HIS H H 31 7.639 8.039 -0.400 1
1 282 . 10 1 1 A 31 31 HIS HA H 31 4.238 4.212 0.026 1
1 287 . 10 1 1 A 31 31 HIS C C 31 176.034 176.810 -0.776 1
1 288 . 10 1 1 A 31 31 HIS CA C 31 58.663 59.770 -1.107 1
1 289 . 10 1 1 A 31 31 HIS CB C 31 28.646 29.568 -0.922 1
1 292 . 10 1 1 A 31 31 HIS N N 31 119.387 120.130 -0.743 1
1 293 . 10 1 1 A 32 32 ARG H H 32 8.158 7.912 0.246 1
1 294 . 10 1 1 A 32 32 ARG HA H 32 3.677 3.835 -0.158 1
1 301 . 10 1 1 A 32 32 ARG C C 32 177.576 178.841 -1.265 1
1 302 . 10 1 1 A 32 32 ARG CA C 32 59.884 59.430 0.454 1
1 303 . 10 1 1 A 32 32 ARG CB C 32 29.827 29.890 -0.063 1
1 306 . 10 1 1 A 32 32 ARG N N 32 115.483 117.699 -2.216 1
1 307 . 10 1 1 A 33 33 ARG H H 33 7.069 7.720 -0.651 1
1 308 . 10 1 1 A 33 33 ARG HA H 33 4.130 3.968 0.162 1
1 315 . 10 1 1 A 33 33 ARG C C 33 178.283 178.743 -0.460 1
1 316 . 10 1 1 A 33 33 ARG CA C 33 58.201 59.188 -0.987 1
1 317 . 10 1 1 A 33 33 ARG CB C 33 29.938 29.789 0.149 1
1 320 . 10 1 1 A 33 33 ARG N N 33 116.839 119.695 -2.856 1
1 321 . 10 1 1 A 34 34 VAL H H 34 7.920 8.110 -0.190 1
1 322 . 10 1 1 A 34 34 VAL HA H 34 3.904 3.761 0.143 1
1 330 . 10 1 1 A 34 34 VAL C C 34 177.122 177.345 -0.223 1
1 331 . 10 1 1 A 34 34 VAL CA C 34 63.913 65.101 -1.188 1
1 332 . 10 1 1 A 34 34 VAL CB C 34 31.126 31.139 -0.013 1
1 335 . 10 1 1 A 34 34 VAL N N 34 116.036 117.177 -1.141 1
1 336 . 10 1 1 A 35 35 HIS H H 35 7.284 7.504 -0.220 1
1 337 . 10 1 1 A 35 35 HIS HA H 35 4.899 4.444 0.455 1
1 342 . 10 1 1 A 35 35 HIS C C 35 175.530 176.330 -0.800 1
1 343 . 10 1 1 A 35 35 HIS CA C 35 54.910 58.017 -3.107 1
1 344 . 10 1 1 A 35 35 HIS CB C 35 28.775 30.892 -2.117 1
1 347 . 10 1 1 A 35 35 HIS N N 35 117.360 119.436 -2.076 1
1 348 . 10 1 1 A 36 36 THR H H 36 7.787 7.777 0.010 1
1 349 . 10 1 1 A 36 36 THR HA H 36 4.408 4.202 0.206 1
1 354 . 10 1 1 A 36 36 THR C C 36 175.489 174.558 0.931 1
1 355 . 10 1 1 A 36 36 THR CA C 36 62.176 62.453 -0.277 1
1 356 . 10 1 1 A 36 36 THR CB C 36 69.788 68.379 1.409 1
1 358 . 10 1 1 A 36 36 THR N N 36 111.920 110.710 1.210 1
1 359 . 10 1 1 A 37 37 GLY H H 37 8.364 7.980 0.384 1
1 360 . 10 1 1 A 37 37 GLY HA2 H 37 3.990 4.093 -0.103 1
1 361 . 10 1 1 A 37 37 GLY HA3 H 37 3.990 4.099 -0.109 1
1 362 . 10 1 1 A 37 37 GLY C C 37 174.709 174.233 0.476 1
1 363 . 10 1 1 A 37 37 GLY CA C 37 45.510 45.630 -0.120 1
1 364 . 10 1 1 A 37 37 GLY N N 37 111.087 114.148 -3.061 1
1 365 . 10 1 1 A 38 38 GLY H H 38 8.279 8.126 0.153 1
1 366 . 10 1 1 A 38 38 GLY HA2 H 38 3.940 4.125 -0.185 1
1 367 . 10 1 1 A 38 38 GLY HA3 H 38 3.940 4.126 -0.186 1
1 368 . 10 1 1 A 38 38 GLY C C 38 173.722 173.220 0.502 1
1 369 . 10 1 1 A 38 38 GLY CA C 38 45.104 44.891 0.213 1
1 370 . 10 1 1 A 38 38 GLY N N 38 108.489 107.339 1.150 1
1 371 . 10 1 1 A 39 39 LYS H H 39 8.134 8.294 -0.160 1
1 372 . 10 1 1 A 39 39 LYS HA H 39 4.631 4.454 0.177 1
1 381 . 10 1 1 A 39 39 LYS C C 39 174.669 176.602 -1.933 1
1 382 . 10 1 1 A 39 39 LYS CA C 39 54.141 54.275 -0.134 1
1 383 . 10 1 1 A 39 39 LYS CB C 39 32.551 33.741 -1.190 1
1 387 . 10 1 1 A 39 39 LYS N N 39 121.858 125.643 -3.785 1
1 388 . 10 1 1 A 40 40 PRO HA H 40 4.469 4.491 -0.022 1
1 395 . 10 1 1 A 40 40 PRO CA C 40 63.236 64.808 -1.572 1
1 396 . 10 1 1 A 40 40 PRO CB C 40 32.213 32.097 0.116 1
1 399 . 10 1 1 A 42 42 GLY HA2 H 42 4.162 4.095 0.067 1
1 400 . 10 1 1 A 42 42 GLY HA3 H 42 4.111 4.099 0.012 1
1 401 . 10 1 1 A 42 42 GLY CA C 42 44.661 45.057 -0.396 1
1 402 . 10 1 1 A 43 43 PRO HA H 43 4.476 4.399 0.077 1
1 409 . 10 1 1 A 43 43 PRO CA C 43 63.406 64.281 -0.875 1
1 410 . 10 1 1 A 43 43 PRO CB C 43 32.308 31.823 0.485 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 4.033 3.915 0.118 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.033 3.916 0.117 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.556 173.192 1.364 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.402 47.030 -1.628 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.151 8.049 0.102 1
1 6 . 11 1 1 A 8 8 THR HA H 8 4.379 4.680 -0.301 1
1 11 . 11 1 1 A 8 8 THR C C 8 175.289 173.658 1.631 1
1 12 . 11 1 1 A 8 8 THR CA C 8 61.888 60.554 1.334 1
1 13 . 11 1 1 A 8 8 THR CB C 8 69.800 69.938 -0.138 1
1 15 . 11 1 1 A 8 8 THR N N 8 112.871 115.820 -2.949 1
1 16 . 11 1 1 A 9 9 GLY H H 9 8.447 8.633 -0.186 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 3.947 4.171 -0.224 1
1 18 . 11 1 1 A 9 9 GLY HA3 H 9 3.947 4.179 -0.232 1
1 19 . 11 1 1 A 9 9 GLY C C 9 174.028 172.755 1.273 1
1 20 . 11 1 1 A 9 9 GLY CA C 9 45.270 44.752 0.518 1
1 21 . 11 1 1 A 9 9 GLY N N 9 111.093 112.674 -1.581 1
1 22 . 11 1 1 A 10 10 GLU H H 10 8.230 8.514 -0.284 1
1 23 . 11 1 1 A 10 10 GLU HA H 10 4.251 4.790 -0.539 1
1 28 . 11 1 1 A 10 10 GLU C C 10 176.261 175.983 0.278 1
1 29 . 11 1 1 A 10 10 GLU CA C 10 56.565 55.801 0.764 1
1 30 . 11 1 1 A 10 10 GLU CB C 10 30.519 30.267 0.252 1
1 32 . 11 1 1 A 10 10 GLU N N 10 120.586 117.706 2.880 1
1 33 . 11 1 1 A 11 11 LYS H H 11 8.317 8.305 0.012 1
1 34 . 11 1 1 A 11 11 LYS HA H 11 4.540 4.779 -0.239 1
1 43 . 11 1 1 A 11 11 LYS C C 11 174.000 176.295 -2.295 1
1 44 . 11 1 1 A 11 11 LYS CA C 11 53.865 53.258 0.607 1
1 45 . 11 1 1 A 11 11 LYS CB C 11 32.626 34.517 -1.891 1
1 49 . 11 1 1 A 11 11 LYS N N 11 122.992 124.079 -1.087 1
1 50 . 11 1 1 A 12 12 PRO HA H 12 4.331 4.323 0.008 1
1 57 . 11 1 1 A 12 12 PRO C C 12 176.455 175.665 0.790 1
1 58 . 11 1 1 A 12 12 PRO CA C 12 62.991 64.151 -1.160 1
1 59 . 11 1 1 A 12 12 PRO CB C 12 32.285 31.406 0.879 1
1 62 . 11 1 1 A 13 13 TYR H H 13 8.131 7.581 0.550 1
1 63 . 11 1 1 A 13 13 TYR HA H 13 4.607 4.856 -0.249 1
1 70 . 11 1 1 A 13 13 TYR C C 13 174.080 174.540 -0.460 1
1 71 . 11 1 1 A 13 13 TYR CA C 13 57.300 56.893 0.407 1
1 72 . 11 1 1 A 13 13 TYR CB C 13 38.140 38.351 -0.211 1
1 77 . 11 1 1 A 13 13 TYR N N 13 119.838 118.816 1.022 1
1 78 . 11 1 1 A 14 14 LYS H H 14 8.387 8.899 -0.512 1
1 79 . 11 1 1 A 14 14 LYS HA H 14 5.090 5.440 -0.350 1
1 88 . 11 1 1 A 14 14 LYS C C 14 175.193 174.630 0.563 1
1 89 . 11 1 1 A 14 14 LYS CA C 14 54.801 54.451 0.350 1
1 90 . 11 1 1 A 14 14 LYS CB C 14 36.002 36.300 -0.298 1
1 94 . 11 1 1 A 14 14 LYS N N 14 124.729 125.153 -0.424 1
1 95 . 11 1 1 A 15 15 CYS H H 15 9.365 9.407 -0.042 1
1 96 . 11 1 1 A 15 15 CYS HA H 15 4.546 4.757 -0.211 1
1 99 . 11 1 1 A 15 15 CYS C C 15 176.812 176.140 0.672 1
1 100 . 11 1 1 A 15 15 CYS CA C 15 59.571 58.499 1.072 1
1 101 . 11 1 1 A 15 15 CYS CB C 15 29.635 28.974 0.661 1
1 102 . 11 1 1 A 15 15 CYS N N 15 127.942 124.029 3.913 1
1 103 . 11 1 1 A 16 16 ASN HA H 16 4.528 4.884 -0.356 1
1 108 . 11 1 1 A 16 16 ASN C C 16 175.388 175.653 -0.265 1
1 109 . 11 1 1 A 16 16 ASN CA C 16 55.505 53.731 1.774 1
1 110 . 11 1 1 A 16 16 ASN CB C 16 38.303 38.549 -0.246 1
1 112 . 11 1 1 A 17 17 GLU H H 17 8.730 7.661 1.069 1
1 113 . 11 1 1 A 17 17 GLU HA H 17 4.205 4.319 -0.114 1
1 118 . 11 1 1 A 17 17 GLU C C 17 177.141 178.075 -0.934 1
1 119 . 11 1 1 A 17 17 GLU CA C 17 58.686 57.429 1.257 1
1 120 . 11 1 1 A 17 17 GLU CB C 17 29.296 30.389 -1.093 1
1 122 . 11 1 1 A 17 17 GLU N N 17 120.847 118.057 2.790 1
1 123 . 11 1 1 A 18 18 CYS H H 18 7.941 8.129 -0.188 1
1 124 . 11 1 1 A 18 18 CYS HA H 18 5.174 4.747 0.427 1
1 127 . 11 1 1 A 18 18 CYS C C 18 176.186 175.476 0.710 1
1 128 . 11 1 1 A 18 18 CYS CA C 18 58.326 59.898 -1.572 1
1 129 . 11 1 1 A 18 18 CYS CB C 18 32.423 29.915 2.508 1
1 130 . 11 1 1 A 18 18 CYS N N 18 114.765 115.152 -0.387 1
1 131 . 11 1 1 A 19 19 GLY H H 19 8.207 8.040 0.167 1
1 132 . 11 1 1 A 19 19 GLY HA2 H 19 3.735 4.089 -0.354 1
1 133 . 11 1 1 A 19 19 GLY HA3 H 19 4.246 4.095 0.151 1
1 134 . 11 1 1 A 19 19 GLY C C 19 173.563 174.360 -0.797 1
1 135 . 11 1 1 A 19 19 GLY CA C 19 46.287 45.163 1.124 1
1 136 . 11 1 1 A 19 19 GLY N N 19 113.536 109.843 3.693 1
1 137 . 11 1 1 A 20 20 LYS H H 20 7.904 7.900 0.004 1
1 138 . 11 1 1 A 20 20 LYS HA H 20 3.984 4.515 -0.531 1
1 147 . 11 1 1 A 20 20 LYS C C 20 174.306 175.477 -1.171 1
1 148 . 11 1 1 A 20 20 LYS CA C 20 58.283 55.385 2.898 1
1 149 . 11 1 1 A 20 20 LYS CB C 20 33.875 34.410 -0.535 1
1 153 . 11 1 1 A 20 20 LYS N N 20 122.594 119.481 3.113 1
1 154 . 11 1 1 A 21 21 VAL H H 21 7.635 8.188 -0.553 1
1 155 . 11 1 1 A 21 21 VAL HA H 21 4.756 5.134 -0.378 1
1 163 . 11 1 1 A 21 21 VAL C C 21 175.180 174.101 1.079 1
1 164 . 11 1 1 A 21 21 VAL CA C 21 60.394 60.243 0.151 1
1 165 . 11 1 1 A 21 21 VAL CB C 21 33.875 35.863 -1.988 1
1 168 . 11 1 1 A 21 21 VAL N N 21 117.274 119.914 -2.640 1
1 169 . 11 1 1 A 22 22 PHE H H 22 8.752 9.268 -0.516 1
1 170 . 11 1 1 A 22 22 PHE HA H 22 4.895 4.991 -0.096 1
1 178 . 11 1 1 A 22 22 PHE C C 22 175.688 175.788 -0.100 1
1 179 . 11 1 1 A 22 22 PHE CA C 22 56.949 56.254 0.695 1
1 180 . 11 1 1 A 22 22 PHE CB C 22 43.525 43.699 -0.174 1
1 186 . 11 1 1 A 22 22 PHE N N 22 121.527 123.889 -2.362 1
1 187 . 11 1 1 A 23 23 THR H H 23 9.516 8.846 0.670 1
1 188 . 11 1 1 A 23 23 THR HA H 23 4.572 4.495 0.077 1
1 193 . 11 1 1 A 23 23 THR C C 23 174.880 174.007 0.873 1
1 194 . 11 1 1 A 23 23 THR CA C 23 63.272 63.432 -0.160 1
1 195 . 11 1 1 A 23 23 THR CB C 23 69.636 69.781 -0.145 1
1 197 . 11 1 1 A 23 23 THR N N 23 111.253 116.239 -4.986 1
1 198 . 11 1 1 A 24 24 GLN H H 24 7.074 7.476 -0.402 1
1 199 . 11 1 1 A 24 24 GLN HA H 24 4.531 4.220 0.311 1
1 206 . 11 1 1 A 24 24 GLN C C 24 175.849 175.058 0.791 1
1 207 . 11 1 1 A 24 24 GLN CA C 24 54.002 53.807 0.195 1
1 208 . 11 1 1 A 24 24 GLN CB C 24 32.066 31.888 0.178 1
1 210 . 11 1 1 A 24 24 GLN N N 24 115.274 118.855 -3.581 1
1 212 . 11 1 1 A 25 25 ASN HA H 25 3.618 4.070 -0.452 1
1 217 . 11 1 1 A 25 25 ASN CA C 25 56.193 55.984 0.209 1
1 218 . 11 1 1 A 25 25 ASN CB C 25 38.289 38.470 -0.181 1
1 219 . 11 1 1 A 25 25 ASN N N 25 119.000 121.260 -2.260 1
1 221 . 11 1 1 A 26 26 SER HA H 26 4.045 4.062 -0.017 1
1 224 . 11 1 1 A 26 26 SER C C 26 177.179 176.559 0.620 1
1 225 . 11 1 1 A 26 26 SER CA C 26 60.858 62.325 -1.467 1
1 226 . 11 1 1 A 26 26 SER CB C 26 61.697 62.742 -1.045 1
1 227 . 11 1 1 A 26 26 SER N N 26 116.000 116.284 -0.284 1
1 228 . 11 1 1 A 27 27 HIS H H 27 6.761 7.763 -1.002 1
1 229 . 11 1 1 A 27 27 HIS HA H 27 4.413 4.177 0.236 1
1 234 . 11 1 1 A 27 27 HIS C C 27 178.164 177.223 0.941 1
1 235 . 11 1 1 A 27 27 HIS CA C 27 57.067 58.558 -1.491 1
1 236 . 11 1 1 A 27 27 HIS CB C 27 31.815 29.623 2.192 1
1 239 . 11 1 1 A 27 27 HIS N N 27 121.682 119.204 2.478 1
1 240 . 11 1 1 A 28 28 LEU H H 28 6.960 7.339 -0.379 1
1 241 . 11 1 1 A 28 28 LEU HA H 28 3.190 3.048 0.142 1
1 251 . 11 1 1 A 28 28 LEU C C 28 177.255 178.222 -0.967 1
1 252 . 11 1 1 A 28 28 LEU CA C 28 57.687 57.540 0.147 1
1 253 . 11 1 1 A 28 28 LEU CB C 28 40.420 41.409 -0.989 1
1 257 . 11 1 1 A 28 28 LEU N N 28 122.330 120.525 1.805 1
1 258 . 11 1 1 A 29 29 ALA H H 29 8.293 8.573 -0.280 1
1 259 . 11 1 1 A 29 29 ALA HA H 29 3.936 4.012 -0.076 1
1 263 . 11 1 1 A 29 29 ALA C C 29 180.550 179.609 0.941 1
1 264 . 11 1 1 A 29 29 ALA CA C 29 55.247 55.873 -0.626 1
1 265 . 11 1 1 A 29 29 ALA CB C 29 17.769 18.260 -0.491 1
1 266 . 11 1 1 A 29 29 ALA N N 29 121.027 121.687 -0.660 1
1 267 . 11 1 1 A 30 30 ARG H H 30 7.470 8.221 -0.751 1
1 268 . 11 1 1 A 30 30 ARG HA H 30 3.986 4.070 -0.084 1
1 275 . 11 1 1 A 30 30 ARG C C 30 178.649 178.426 0.223 1
1 276 . 11 1 1 A 30 30 ARG CA C 30 58.817 58.942 -0.125 1
1 277 . 11 1 1 A 30 30 ARG CB C 30 30.266 30.147 0.119 1
1 280 . 11 1 1 A 30 30 ARG N N 30 116.540 117.179 -0.639 1
1 281 . 11 1 1 A 31 31 HIS H H 31 7.639 8.057 -0.418 1
1 282 . 11 1 1 A 31 31 HIS HA H 31 4.238 4.221 0.017 1
1 287 . 11 1 1 A 31 31 HIS C C 31 176.034 176.569 -0.535 1
1 288 . 11 1 1 A 31 31 HIS CA C 31 58.663 59.974 -1.311 1
1 289 . 11 1 1 A 31 31 HIS CB C 31 28.646 29.592 -0.946 1
1 292 . 11 1 1 A 31 31 HIS N N 31 119.387 120.248 -0.861 1
1 293 . 11 1 1 A 32 32 ARG H H 32 8.158 8.104 0.054 1
1 294 . 11 1 1 A 32 32 ARG HA H 32 3.677 3.865 -0.188 1
1 301 . 11 1 1 A 32 32 ARG C C 32 177.576 178.906 -1.330 1
1 302 . 11 1 1 A 32 32 ARG CA C 32 59.884 59.460 0.424 1
1 303 . 11 1 1 A 32 32 ARG CB C 32 29.827 29.895 -0.068 1
1 306 . 11 1 1 A 32 32 ARG N N 32 115.483 116.940 -1.457 1
1 307 . 11 1 1 A 33 33 ARG H H 33 7.069 8.041 -0.972 1
1 308 . 11 1 1 A 33 33 ARG HA H 33 4.130 3.959 0.171 1
1 315 . 11 1 1 A 33 33 ARG C C 33 178.283 178.553 -0.270 1
1 316 . 11 1 1 A 33 33 ARG CA C 33 58.201 59.190 -0.989 1
1 317 . 11 1 1 A 33 33 ARG CB C 33 29.938 29.765 0.173 1
1 320 . 11 1 1 A 33 33 ARG N N 33 116.839 120.168 -3.329 1
1 321 . 11 1 1 A 34 34 VAL H H 34 7.920 8.141 -0.221 1
1 322 . 11 1 1 A 34 34 VAL HA H 34 3.904 3.755 0.149 1
1 330 . 11 1 1 A 34 34 VAL C C 34 177.122 177.651 -0.529 1
1 331 . 11 1 1 A 34 34 VAL CA C 34 63.913 65.391 -1.478 1
1 332 . 11 1 1 A 34 34 VAL CB C 34 31.126 31.138 -0.012 1
1 335 . 11 1 1 A 34 34 VAL N N 34 116.036 117.348 -1.312 1
1 336 . 11 1 1 A 35 35 HIS H H 35 7.284 7.943 -0.659 1
1 337 . 11 1 1 A 35 35 HIS HA H 35 4.899 4.390 0.509 1
1 342 . 11 1 1 A 35 35 HIS C C 35 175.530 175.620 -0.090 1
1 343 . 11 1 1 A 35 35 HIS CA C 35 54.910 58.664 -3.754 1
1 344 . 11 1 1 A 35 35 HIS CB C 35 28.775 31.008 -2.233 1
1 347 . 11 1 1 A 35 35 HIS N N 35 117.360 119.840 -2.480 1
1 348 . 11 1 1 A 36 36 THR H H 36 7.787 7.529 0.258 1
1 349 . 11 1 1 A 36 36 THR HA H 36 4.408 4.626 -0.218 1
1 354 . 11 1 1 A 36 36 THR C C 36 175.489 173.496 1.993 1
1 355 . 11 1 1 A 36 36 THR CA C 36 62.176 60.165 2.011 1
1 356 . 11 1 1 A 36 36 THR CB C 36 69.788 70.103 -0.315 1
1 358 . 11 1 1 A 36 36 THR N N 36 111.920 111.532 0.388 1
1 359 . 11 1 1 A 37 37 GLY H H 37 8.364 8.530 -0.166 1
1 360 . 11 1 1 A 37 37 GLY HA2 H 37 3.990 4.084 -0.094 1
1 361 . 11 1 1 A 37 37 GLY HA3 H 37 3.990 4.089 -0.099 1
1 362 . 11 1 1 A 37 37 GLY C C 37 174.709 174.192 0.517 1
1 363 . 11 1 1 A 37 37 GLY CA C 37 45.510 45.915 -0.405 1
1 364 . 11 1 1 A 37 37 GLY N N 37 111.087 114.816 -3.729 1
1 365 . 11 1 1 A 38 38 GLY H H 38 8.279 7.501 0.778 1
1 366 . 11 1 1 A 38 38 GLY HA2 H 38 3.940 4.109 -0.169 1
1 367 . 11 1 1 A 38 38 GLY HA3 H 38 3.940 4.110 -0.170 1
1 368 . 11 1 1 A 38 38 GLY C C 38 173.722 171.240 2.482 1
1 369 . 11 1 1 A 38 38 GLY CA C 38 45.104 45.742 -0.638 1
1 370 . 11 1 1 A 38 38 GLY N N 38 108.489 104.060 4.429 1
1 371 . 11 1 1 A 39 39 LYS H H 39 8.134 8.899 -0.765 1
1 372 . 11 1 1 A 39 39 LYS HA H 39 4.631 5.026 -0.395 1
1 381 . 11 1 1 A 39 39 LYS C C 39 174.669 173.652 1.017 1
1 382 . 11 1 1 A 39 39 LYS CA C 39 54.141 53.920 0.221 1
1 383 . 11 1 1 A 39 39 LYS CB C 39 32.551 35.883 -3.332 1
1 387 . 11 1 1 A 39 39 LYS N N 39 121.858 117.131 4.727 1
1 388 . 11 1 1 A 40 40 PRO HA H 40 4.469 4.547 -0.078 1
1 395 . 11 1 1 A 40 40 PRO CA C 40 63.236 62.566 0.670 1
1 396 . 11 1 1 A 40 40 PRO CB C 40 32.213 32.261 -0.048 1
1 399 . 11 1 1 A 42 42 GLY HA2 H 42 4.162 4.462 -0.300 1
1 400 . 11 1 1 A 42 42 GLY HA3 H 42 4.111 4.462 -0.351 1
1 401 . 11 1 1 A 42 42 GLY CA C 42 44.661 45.341 -0.680 1
1 402 . 11 1 1 A 43 43 PRO HA H 43 4.476 4.515 -0.039 1
1 409 . 11 1 1 A 43 43 PRO CA C 43 63.406 64.022 -0.616 1
1 410 . 11 1 1 A 43 43 PRO CB C 43 32.308 31.384 0.924 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 4.033 4.045 -0.012 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.033 4.048 -0.015 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.556 173.972 0.584 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.402 45.848 -0.446 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.151 7.852 0.299 1
1 6 . 12 1 1 A 8 8 THR HA H 8 4.379 4.863 -0.484 1
1 11 . 12 1 1 A 8 8 THR C C 8 175.289 174.518 0.771 1
1 12 . 12 1 1 A 8 8 THR CA C 8 61.888 61.248 0.640 1
1 13 . 12 1 1 A 8 8 THR CB C 8 69.800 72.133 -2.333 1
1 15 . 12 1 1 A 8 8 THR N N 8 112.871 114.221 -1.350 1
1 16 . 12 1 1 A 9 9 GLY H H 9 8.447 8.732 -0.285 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 3.947 4.081 -0.134 1
1 18 . 12 1 1 A 9 9 GLY HA3 H 9 3.947 4.086 -0.139 1
1 19 . 12 1 1 A 9 9 GLY C C 9 174.028 173.796 0.232 1
1 20 . 12 1 1 A 9 9 GLY CA C 9 45.270 44.623 0.647 1
1 21 . 12 1 1 A 9 9 GLY N N 9 111.093 113.779 -2.686 1
1 22 . 12 1 1 A 10 10 GLU H H 10 8.230 8.451 -0.221 1
1 23 . 12 1 1 A 10 10 GLU HA H 10 4.251 4.552 -0.301 1
1 28 . 12 1 1 A 10 10 GLU C C 10 176.261 175.148 1.113 1
1 29 . 12 1 1 A 10 10 GLU CA C 10 56.565 55.965 0.600 1
1 30 . 12 1 1 A 10 10 GLU CB C 10 30.519 28.870 1.649 1
1 32 . 12 1 1 A 10 10 GLU N N 10 120.586 122.122 -1.536 1
1 33 . 12 1 1 A 11 11 LYS H H 11 8.317 7.538 0.779 1
1 34 . 12 1 1 A 11 11 LYS HA H 11 4.540 4.997 -0.457 1
1 43 . 12 1 1 A 11 11 LYS C C 11 174.000 175.446 -1.446 1
1 44 . 12 1 1 A 11 11 LYS CA C 11 53.865 53.425 0.440 1
1 45 . 12 1 1 A 11 11 LYS CB C 11 32.626 32.659 -0.033 1
1 49 . 12 1 1 A 11 11 LYS N N 11 122.992 124.604 -1.612 1
1 50 . 12 1 1 A 12 12 PRO HA H 12 4.331 4.458 -0.127 1
1 57 . 12 1 1 A 12 12 PRO C C 12 176.455 175.784 0.671 1
1 58 . 12 1 1 A 12 12 PRO CA C 12 62.991 64.400 -1.409 1
1 59 . 12 1 1 A 12 12 PRO CB C 12 32.285 31.431 0.854 1
1 62 . 12 1 1 A 13 13 TYR H H 13 8.131 7.677 0.454 1
1 63 . 12 1 1 A 13 13 TYR HA H 13 4.607 4.892 -0.285 1
1 70 . 12 1 1 A 13 13 TYR C C 13 174.080 174.834 -0.754 1
1 71 . 12 1 1 A 13 13 TYR CA C 13 57.300 57.514 -0.214 1
1 72 . 12 1 1 A 13 13 TYR CB C 13 38.140 39.373 -1.233 1
1 77 . 12 1 1 A 13 13 TYR N N 13 119.838 118.516 1.322 1
1 78 . 12 1 1 A 14 14 LYS H H 14 8.387 8.948 -0.561 1
1 79 . 12 1 1 A 14 14 LYS HA H 14 5.090 5.173 -0.083 1
1 88 . 12 1 1 A 14 14 LYS C C 14 175.193 174.874 0.319 1
1 89 . 12 1 1 A 14 14 LYS CA C 14 54.801 55.081 -0.280 1
1 90 . 12 1 1 A 14 14 LYS CB C 14 36.002 36.191 -0.189 1
1 94 . 12 1 1 A 14 14 LYS N N 14 124.729 124.204 0.525 1
1 95 . 12 1 1 A 15 15 CYS H H 15 9.365 9.510 -0.145 1
1 96 . 12 1 1 A 15 15 CYS HA H 15 4.546 4.617 -0.071 1
1 99 . 12 1 1 A 15 15 CYS C C 15 176.812 176.254 0.558 1
1 100 . 12 1 1 A 15 15 CYS CA C 15 59.571 59.518 0.053 1
1 101 . 12 1 1 A 15 15 CYS CB C 15 29.635 28.193 1.442 1
1 102 . 12 1 1 A 15 15 CYS N N 15 127.942 124.498 3.444 1
1 103 . 12 1 1 A 16 16 ASN HA H 16 4.528 5.017 -0.489 1
1 108 . 12 1 1 A 16 16 ASN C C 16 175.388 176.382 -0.994 1
1 109 . 12 1 1 A 16 16 ASN CA C 16 55.505 52.543 2.962 1
1 110 . 12 1 1 A 16 16 ASN CB C 16 38.303 38.638 -0.335 1
1 112 . 12 1 1 A 17 17 GLU H H 17 8.730 7.596 1.134 1
1 113 . 12 1 1 A 17 17 GLU HA H 17 4.205 4.305 -0.100 1
1 118 . 12 1 1 A 17 17 GLU C C 17 177.141 178.248 -1.107 1
1 119 . 12 1 1 A 17 17 GLU CA C 17 58.686 57.946 0.740 1
1 120 . 12 1 1 A 17 17 GLU CB C 17 29.296 30.389 -1.093 1
1 122 . 12 1 1 A 17 17 GLU N N 17 120.847 119.621 1.226 1
1 123 . 12 1 1 A 18 18 CYS H H 18 7.941 8.123 -0.182 1
1 124 . 12 1 1 A 18 18 CYS HA H 18 5.174 4.685 0.489 1
1 127 . 12 1 1 A 18 18 CYS C C 18 176.186 175.161 1.025 1
1 128 . 12 1 1 A 18 18 CYS CA C 18 58.326 59.794 -1.468 1
1 129 . 12 1 1 A 18 18 CYS CB C 18 32.423 29.573 2.850 1
1 130 . 12 1 1 A 18 18 CYS N N 18 114.765 114.916 -0.151 1
1 131 . 12 1 1 A 19 19 GLY H H 19 8.207 7.960 0.247 1
1 132 . 12 1 1 A 19 19 GLY HA2 H 19 3.735 4.103 -0.368 1
1 133 . 12 1 1 A 19 19 GLY HA3 H 19 4.246 4.110 0.136 1
1 134 . 12 1 1 A 19 19 GLY C C 19 173.563 174.399 -0.836 1
1 135 . 12 1 1 A 19 19 GLY CA C 19 46.287 45.123 1.164 1
1 136 . 12 1 1 A 19 19 GLY N N 19 113.536 109.882 3.654 1
1 137 . 12 1 1 A 20 20 LYS H H 20 7.904 7.904 0.000 1
1 138 . 12 1 1 A 20 20 LYS HA H 20 3.984 4.516 -0.532 1
1 147 . 12 1 1 A 20 20 LYS C C 20 174.306 175.435 -1.129 1
1 148 . 12 1 1 A 20 20 LYS CA C 20 58.283 55.266 3.017 1
1 149 . 12 1 1 A 20 20 LYS CB C 20 33.875 34.392 -0.517 1
1 153 . 12 1 1 A 20 20 LYS N N 20 122.594 119.235 3.359 1
1 154 . 12 1 1 A 21 21 VAL H H 21 7.635 8.115 -0.480 1
1 155 . 12 1 1 A 21 21 VAL HA H 21 4.756 4.883 -0.127 1
1 163 . 12 1 1 A 21 21 VAL C C 21 175.180 173.841 1.339 1
1 164 . 12 1 1 A 21 21 VAL CA C 21 60.394 60.115 0.279 1
1 165 . 12 1 1 A 21 21 VAL CB C 21 33.875 35.890 -2.015 1
1 168 . 12 1 1 A 21 21 VAL N N 21 117.274 119.824 -2.550 1
1 169 . 12 1 1 A 22 22 PHE H H 22 8.752 8.973 -0.221 1
1 170 . 12 1 1 A 22 22 PHE HA H 22 4.895 5.024 -0.129 1
1 178 . 12 1 1 A 22 22 PHE C C 22 175.688 175.594 0.094 1
1 179 . 12 1 1 A 22 22 PHE CA C 22 56.949 56.403 0.546 1
1 180 . 12 1 1 A 22 22 PHE CB C 22 43.525 43.593 -0.068 1
1 186 . 12 1 1 A 22 22 PHE N N 22 121.527 124.058 -2.531 1
1 187 . 12 1 1 A 23 23 THR H H 23 9.516 8.877 0.639 1
1 188 . 12 1 1 A 23 23 THR HA H 23 4.572 4.604 -0.032 1
1 193 . 12 1 1 A 23 23 THR C C 23 174.880 174.079 0.801 1
1 194 . 12 1 1 A 23 23 THR CA C 23 63.272 63.569 -0.297 1
1 195 . 12 1 1 A 23 23 THR CB C 23 69.636 70.150 -0.514 1
1 197 . 12 1 1 A 23 23 THR N N 23 111.253 116.415 -5.162 1
1 198 . 12 1 1 A 24 24 GLN H H 24 7.074 7.617 -0.543 1
1 199 . 12 1 1 A 24 24 GLN HA H 24 4.531 4.347 0.184 1
1 206 . 12 1 1 A 24 24 GLN C C 24 175.849 175.480 0.369 1
1 207 . 12 1 1 A 24 24 GLN CA C 24 54.002 53.887 0.115 1
1 208 . 12 1 1 A 24 24 GLN CB C 24 32.066 31.282 0.784 1
1 210 . 12 1 1 A 24 24 GLN N N 24 115.274 118.971 -3.697 1
1 212 . 12 1 1 A 25 25 ASN HA H 25 3.618 4.011 -0.393 1
1 217 . 12 1 1 A 25 25 ASN CA C 25 56.193 55.815 0.378 1
1 218 . 12 1 1 A 25 25 ASN CB C 25 38.289 37.099 1.190 1
1 219 . 12 1 1 A 25 25 ASN N N 25 119.000 121.039 -2.039 1
1 221 . 12 1 1 A 26 26 SER HA H 26 4.045 4.024 0.021 1
1 224 . 12 1 1 A 26 26 SER C C 26 177.179 176.369 0.810 1
1 225 . 12 1 1 A 26 26 SER CA C 26 60.858 62.292 -1.434 1
1 226 . 12 1 1 A 26 26 SER CB C 26 61.697 62.629 -0.932 1
1 227 . 12 1 1 A 26 26 SER N N 26 116.000 115.995 0.005 1
1 228 . 12 1 1 A 27 27 HIS H H 27 6.761 7.613 -0.852 1
1 229 . 12 1 1 A 27 27 HIS HA H 27 4.413 4.190 0.223 1
1 234 . 12 1 1 A 27 27 HIS C C 27 178.164 177.329 0.835 1
1 235 . 12 1 1 A 27 27 HIS CA C 27 57.067 58.842 -1.775 1
1 236 . 12 1 1 A 27 27 HIS CB C 27 31.815 30.009 1.806 1
1 239 . 12 1 1 A 27 27 HIS N N 27 121.682 119.204 2.478 1
1 240 . 12 1 1 A 28 28 LEU H H 28 6.960 7.529 -0.569 1
1 241 . 12 1 1 A 28 28 LEU HA H 28 3.190 2.884 0.306 1
1 251 . 12 1 1 A 28 28 LEU C C 28 177.255 177.957 -0.702 1
1 252 . 12 1 1 A 28 28 LEU CA C 28 57.687 57.573 0.114 1
1 253 . 12 1 1 A 28 28 LEU CB C 28 40.420 41.254 -0.834 1
1 257 . 12 1 1 A 28 28 LEU N N 28 122.330 120.402 1.928 1
1 258 . 12 1 1 A 29 29 ALA H H 29 8.293 8.689 -0.396 1
1 259 . 12 1 1 A 29 29 ALA HA H 29 3.936 3.908 0.028 1
1 263 . 12 1 1 A 29 29 ALA C C 29 180.550 179.800 0.750 1
1 264 . 12 1 1 A 29 29 ALA CA C 29 55.247 55.581 -0.334 1
1 265 . 12 1 1 A 29 29 ALA CB C 29 17.769 18.222 -0.453 1
1 266 . 12 1 1 A 29 29 ALA N N 29 121.027 120.966 0.061 1
1 267 . 12 1 1 A 30 30 ARG H H 30 7.470 7.735 -0.265 1
1 268 . 12 1 1 A 30 30 ARG HA H 30 3.986 4.005 -0.019 1
1 275 . 12 1 1 A 30 30 ARG C C 30 178.649 178.611 0.038 1
1 276 . 12 1 1 A 30 30 ARG CA C 30 58.817 59.361 -0.544 1
1 277 . 12 1 1 A 30 30 ARG CB C 30 30.266 29.776 0.490 1
1 280 . 12 1 1 A 30 30 ARG N N 30 116.540 117.976 -1.436 1
1 281 . 12 1 1 A 31 31 HIS H H 31 7.639 8.023 -0.384 1
1 282 . 12 1 1 A 31 31 HIS HA H 31 4.238 4.156 0.082 1
1 287 . 12 1 1 A 31 31 HIS C C 31 176.034 176.551 -0.517 1
1 288 . 12 1 1 A 31 31 HIS CA C 31 58.663 59.920 -1.257 1
1 289 . 12 1 1 A 31 31 HIS CB C 31 28.646 29.702 -1.056 1
1 292 . 12 1 1 A 31 31 HIS N N 31 119.387 119.534 -0.147 1
1 293 . 12 1 1 A 32 32 ARG H H 32 8.158 8.039 0.119 1
1 294 . 12 1 1 A 32 32 ARG HA H 32 3.677 3.829 -0.152 1
1 301 . 12 1 1 A 32 32 ARG C C 32 177.576 178.898 -1.322 1
1 302 . 12 1 1 A 32 32 ARG CA C 32 59.884 59.436 0.448 1
1 303 . 12 1 1 A 32 32 ARG CB C 32 29.827 29.867 -0.040 1
1 306 . 12 1 1 A 32 32 ARG N N 32 115.483 116.753 -1.270 1
1 307 . 12 1 1 A 33 33 ARG H H 33 7.069 8.252 -1.183 1
1 308 . 12 1 1 A 33 33 ARG HA H 33 4.130 4.286 -0.156 1
1 315 . 12 1 1 A 33 33 ARG C C 33 178.283 178.774 -0.491 1
1 316 . 12 1 1 A 33 33 ARG CA C 33 58.201 59.276 -1.075 1
1 317 . 12 1 1 A 33 33 ARG CB C 33 29.938 29.823 0.115 1
1 320 . 12 1 1 A 33 33 ARG N N 33 116.839 120.139 -3.300 1
1 321 . 12 1 1 A 34 34 VAL H H 34 7.920 8.218 -0.298 1
1 322 . 12 1 1 A 34 34 VAL HA H 34 3.904 3.747 0.157 1
1 330 . 12 1 1 A 34 34 VAL C C 34 177.122 177.371 -0.249 1
1 331 . 12 1 1 A 34 34 VAL CA C 34 63.913 65.257 -1.344 1
1 332 . 12 1 1 A 34 34 VAL CB C 34 31.126 31.235 -0.109 1
1 335 . 12 1 1 A 34 34 VAL N N 34 116.036 117.083 -1.047 1
1 336 . 12 1 1 A 35 35 HIS H H 35 7.284 7.881 -0.597 1
1 337 . 12 1 1 A 35 35 HIS HA H 35 4.899 4.453 0.446 1
1 342 . 12 1 1 A 35 35 HIS C C 35 175.530 176.333 -0.803 1
1 343 . 12 1 1 A 35 35 HIS CA C 35 54.910 58.210 -3.300 1
1 344 . 12 1 1 A 35 35 HIS CB C 35 28.775 30.941 -2.166 1
1 347 . 12 1 1 A 35 35 HIS N N 35 117.360 120.067 -2.707 1
1 348 . 12 1 1 A 36 36 THR H H 36 7.787 7.812 -0.025 1
1 349 . 12 1 1 A 36 36 THR HA H 36 4.408 4.283 0.125 1
1 354 . 12 1 1 A 36 36 THR C C 36 175.489 174.669 0.820 1
1 355 . 12 1 1 A 36 36 THR CA C 36 62.176 61.227 0.949 1
1 356 . 12 1 1 A 36 36 THR CB C 36 69.788 68.902 0.886 1
1 358 . 12 1 1 A 36 36 THR N N 36 111.920 108.947 2.973 1
1 359 . 12 1 1 A 37 37 GLY H H 37 8.364 7.508 0.856 1
1 360 . 12 1 1 A 37 37 GLY HA2 H 37 3.990 4.058 -0.068 1
1 361 . 12 1 1 A 37 37 GLY HA3 H 37 3.990 4.064 -0.074 1
1 362 . 12 1 1 A 37 37 GLY C C 37 174.709 173.530 1.179 1
1 363 . 12 1 1 A 37 37 GLY CA C 37 45.510 45.315 0.195 1
1 364 . 12 1 1 A 37 37 GLY N N 37 111.087 109.295 1.792 1
1 365 . 12 1 1 A 38 38 GLY H H 38 8.279 7.411 0.868 1
1 366 . 12 1 1 A 38 38 GLY HA2 H 38 3.940 3.989 -0.049 1
1 367 . 12 1 1 A 38 38 GLY HA3 H 38 3.940 4.001 -0.061 1
1 368 . 12 1 1 A 38 38 GLY C C 38 173.722 171.686 2.036 1
1 369 . 12 1 1 A 38 38 GLY CA C 38 45.104 44.583 0.521 1
1 370 . 12 1 1 A 38 38 GLY N N 38 108.489 107.147 1.342 1
1 371 . 12 1 1 A 39 39 LYS H H 39 8.134 8.460 -0.326 1
1 372 . 12 1 1 A 39 39 LYS HA H 39 4.631 4.771 -0.140 1
1 381 . 12 1 1 A 39 39 LYS C C 39 174.669 174.053 0.616 1
1 382 . 12 1 1 A 39 39 LYS CA C 39 54.141 54.128 0.013 1
1 383 . 12 1 1 A 39 39 LYS CB C 39 32.551 36.294 -3.743 1
1 387 . 12 1 1 A 39 39 LYS N N 39 121.858 121.061 0.797 1
1 388 . 12 1 1 A 40 40 PRO HA H 40 4.469 4.655 -0.186 1
1 395 . 12 1 1 A 40 40 PRO CA C 40 63.236 62.301 0.935 1
1 396 . 12 1 1 A 40 40 PRO CB C 40 32.213 33.299 -1.086 1
1 399 . 12 1 1 A 42 42 GLY HA2 H 42 4.162 4.197 -0.035 1
1 400 . 12 1 1 A 42 42 GLY HA3 H 42 4.111 4.197 -0.086 1
1 401 . 12 1 1 A 42 42 GLY CA C 42 44.661 45.381 -0.720 1
1 402 . 12 1 1 A 43 43 PRO HA H 43 4.476 4.627 -0.151 1
1 409 . 12 1 1 A 43 43 PRO CA C 43 63.406 63.795 -0.389 1
1 410 . 12 1 1 A 43 43 PRO CB C 43 32.308 31.768 0.540 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 4.033 4.209 -0.176 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.033 4.214 -0.181 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.556 172.809 1.747 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.402 44.541 0.861 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.151 8.286 -0.135 1
1 6 . 13 1 1 A 8 8 THR HA H 8 4.379 5.142 -0.763 1
1 11 . 13 1 1 A 8 8 THR C C 8 175.289 173.563 1.726 1
1 12 . 13 1 1 A 8 8 THR CA C 8 61.888 60.154 1.734 1
1 13 . 13 1 1 A 8 8 THR CB C 8 69.800 71.274 -1.474 1
1 15 . 13 1 1 A 8 8 THR N N 8 112.871 112.874 -0.003 1
1 16 . 13 1 1 A 9 9 GLY H H 9 8.447 8.508 -0.061 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 3.947 4.169 -0.222 1
1 18 . 13 1 1 A 9 9 GLY HA3 H 9 3.947 4.179 -0.232 1
1 19 . 13 1 1 A 9 9 GLY C C 9 174.028 173.739 0.289 1
1 20 . 13 1 1 A 9 9 GLY CA C 9 45.270 45.188 0.082 1
1 21 . 13 1 1 A 9 9 GLY N N 9 111.093 111.101 -0.008 1
1 22 . 13 1 1 A 10 10 GLU H H 10 8.230 8.598 -0.368 1
1 23 . 13 1 1 A 10 10 GLU HA H 10 4.251 4.654 -0.403 1
1 28 . 13 1 1 A 10 10 GLU C C 10 176.261 175.964 0.297 1
1 29 . 13 1 1 A 10 10 GLU CA C 10 56.565 55.906 0.659 1
1 30 . 13 1 1 A 10 10 GLU CB C 10 30.519 30.971 -0.452 1
1 32 . 13 1 1 A 10 10 GLU N N 10 120.586 121.809 -1.223 1
1 33 . 13 1 1 A 11 11 LYS H H 11 8.317 8.247 0.070 1
1 34 . 13 1 1 A 11 11 LYS HA H 11 4.540 4.777 -0.237 1
1 43 . 13 1 1 A 11 11 LYS C C 11 174.000 176.344 -2.344 1
1 44 . 13 1 1 A 11 11 LYS CA C 11 53.865 53.313 0.552 1
1 45 . 13 1 1 A 11 11 LYS CB C 11 32.626 33.924 -1.298 1
1 49 . 13 1 1 A 11 11 LYS N N 11 122.992 124.990 -1.998 1
1 50 . 13 1 1 A 12 12 PRO HA H 12 4.331 4.344 -0.013 1
1 57 . 13 1 1 A 12 12 PRO C C 12 176.455 175.872 0.583 1
1 58 . 13 1 1 A 12 12 PRO CA C 12 62.991 64.512 -1.521 1
1 59 . 13 1 1 A 12 12 PRO CB C 12 32.285 31.791 0.494 1
1 62 . 13 1 1 A 13 13 TYR H H 13 8.131 7.834 0.297 1
1 63 . 13 1 1 A 13 13 TYR HA H 13 4.607 4.849 -0.242 1
1 70 . 13 1 1 A 13 13 TYR C C 13 174.080 174.817 -0.737 1
1 71 . 13 1 1 A 13 13 TYR CA C 13 57.300 57.190 0.110 1
1 72 . 13 1 1 A 13 13 TYR CB C 13 38.140 39.051 -0.911 1
1 77 . 13 1 1 A 13 13 TYR N N 13 119.838 117.997 1.841 1
1 78 . 13 1 1 A 14 14 LYS H H 14 8.387 8.870 -0.483 1
1 79 . 13 1 1 A 14 14 LYS HA H 14 5.090 5.446 -0.356 1
1 88 . 13 1 1 A 14 14 LYS C C 14 175.193 174.808 0.385 1
1 89 . 13 1 1 A 14 14 LYS CA C 14 54.801 54.967 -0.166 1
1 90 . 13 1 1 A 14 14 LYS CB C 14 36.002 36.320 -0.318 1
1 94 . 13 1 1 A 14 14 LYS N N 14 124.729 124.528 0.201 1
1 95 . 13 1 1 A 15 15 CYS H H 15 9.365 9.306 0.059 1
1 96 . 13 1 1 A 15 15 CYS HA H 15 4.546 4.643 -0.097 1
1 99 . 13 1 1 A 15 15 CYS C C 15 176.812 176.754 0.058 1
1 100 . 13 1 1 A 15 15 CYS CA C 15 59.571 59.058 0.513 1
1 101 . 13 1 1 A 15 15 CYS CB C 15 29.635 28.521 1.114 1
1 102 . 13 1 1 A 15 15 CYS N N 15 127.942 124.796 3.146 1
1 103 . 13 1 1 A 16 16 ASN HA H 16 4.528 4.685 -0.157 1
1 108 . 13 1 1 A 16 16 ASN C C 16 175.388 177.319 -1.931 1
1 109 . 13 1 1 A 16 16 ASN CA C 16 55.505 54.430 1.075 1
1 110 . 13 1 1 A 16 16 ASN CB C 16 38.303 38.286 0.017 1
1 112 . 13 1 1 A 17 17 GLU H H 17 8.730 7.517 1.213 1
1 113 . 13 1 1 A 17 17 GLU HA H 17 4.205 3.896 0.309 1
1 118 . 13 1 1 A 17 17 GLU C C 17 177.141 178.148 -1.007 1
1 119 . 13 1 1 A 17 17 GLU CA C 17 58.686 58.930 -0.244 1
1 120 . 13 1 1 A 17 17 GLU CB C 17 29.296 29.083 0.213 1
1 122 . 13 1 1 A 17 17 GLU N N 17 120.847 119.706 1.141 1
1 123 . 13 1 1 A 18 18 CYS H H 18 7.941 8.003 -0.062 1
1 124 . 13 1 1 A 18 18 CYS HA H 18 5.174 4.770 0.404 1
1 127 . 13 1 1 A 18 18 CYS C C 18 176.186 175.426 0.760 1
1 128 . 13 1 1 A 18 18 CYS CA C 18 58.326 59.639 -1.313 1
1 129 . 13 1 1 A 18 18 CYS CB C 18 32.423 30.093 2.330 1
1 130 . 13 1 1 A 18 18 CYS N N 18 114.765 115.049 -0.284 1
1 131 . 13 1 1 A 19 19 GLY H H 19 8.207 7.773 0.434 1
1 132 . 13 1 1 A 19 19 GLY HA2 H 19 3.735 4.080 -0.345 1
1 133 . 13 1 1 A 19 19 GLY HA3 H 19 4.246 4.086 0.160 1
1 134 . 13 1 1 A 19 19 GLY C C 19 173.563 174.252 -0.689 1
1 135 . 13 1 1 A 19 19 GLY CA C 19 46.287 45.235 1.052 1
1 136 . 13 1 1 A 19 19 GLY N N 19 113.536 110.325 3.211 1
1 137 . 13 1 1 A 20 20 LYS H H 20 7.904 7.939 -0.035 1
1 138 . 13 1 1 A 20 20 LYS HA H 20 3.984 4.578 -0.594 1
1 147 . 13 1 1 A 20 20 LYS C C 20 174.306 175.567 -1.261 1
1 148 . 13 1 1 A 20 20 LYS CA C 20 58.283 55.067 3.216 1
1 149 . 13 1 1 A 20 20 LYS CB C 20 33.875 34.381 -0.506 1
1 153 . 13 1 1 A 20 20 LYS N N 20 122.594 119.013 3.581 1
1 154 . 13 1 1 A 21 21 VAL H H 21 7.635 8.075 -0.440 1
1 155 . 13 1 1 A 21 21 VAL HA H 21 4.756 5.075 -0.319 1
1 163 . 13 1 1 A 21 21 VAL C C 21 175.180 173.904 1.276 1
1 164 . 13 1 1 A 21 21 VAL CA C 21 60.394 60.223 0.171 1
1 165 . 13 1 1 A 21 21 VAL CB C 21 33.875 36.195 -2.320 1
1 168 . 13 1 1 A 21 21 VAL N N 21 117.274 119.663 -2.389 1
1 169 . 13 1 1 A 22 22 PHE H H 22 8.752 9.087 -0.335 1
1 170 . 13 1 1 A 22 22 PHE HA H 22 4.895 5.010 -0.115 1
1 178 . 13 1 1 A 22 22 PHE C C 22 175.688 175.454 0.234 1
1 179 . 13 1 1 A 22 22 PHE CA C 22 56.949 56.448 0.501 1
1 180 . 13 1 1 A 22 22 PHE CB C 22 43.525 43.712 -0.187 1
1 186 . 13 1 1 A 22 22 PHE N N 22 121.527 123.473 -1.946 1
1 187 . 13 1 1 A 23 23 THR H H 23 9.516 8.797 0.719 1
1 188 . 13 1 1 A 23 23 THR HA H 23 4.572 4.475 0.097 1
1 193 . 13 1 1 A 23 23 THR C C 23 174.880 173.885 0.995 1
1 194 . 13 1 1 A 23 23 THR CA C 23 63.272 64.576 -1.304 1
1 195 . 13 1 1 A 23 23 THR CB C 23 69.636 69.883 -0.247 1
1 197 . 13 1 1 A 23 23 THR N N 23 111.253 116.109 -4.856 1
1 198 . 13 1 1 A 24 24 GLN H H 24 7.074 7.880 -0.806 1
1 199 . 13 1 1 A 24 24 GLN HA H 24 4.531 4.241 0.290 1
1 206 . 13 1 1 A 24 24 GLN C C 24 175.849 175.730 0.119 1
1 207 . 13 1 1 A 24 24 GLN CA C 24 54.002 53.976 0.026 1
1 208 . 13 1 1 A 24 24 GLN CB C 24 32.066 30.905 1.161 1
1 210 . 13 1 1 A 24 24 GLN N N 24 115.274 117.969 -2.695 1
1 212 . 13 1 1 A 25 25 ASN HA H 25 3.618 4.188 -0.570 1
1 217 . 13 1 1 A 25 25 ASN CA C 25 56.193 55.932 0.261 1
1 218 . 13 1 1 A 25 25 ASN CB C 25 38.289 37.144 1.145 1
1 219 . 13 1 1 A 25 25 ASN N N 25 119.000 120.343 -1.343 1
1 221 . 13 1 1 A 26 26 SER HA H 26 4.045 3.935 0.110 1
1 224 . 13 1 1 A 26 26 SER C C 26 177.179 177.094 0.085 1
1 225 . 13 1 1 A 26 26 SER CA C 26 60.858 61.620 -0.762 1
1 226 . 13 1 1 A 26 26 SER CB C 26 61.697 62.912 -1.215 1
1 227 . 13 1 1 A 26 26 SER N N 26 116.000 114.495 1.505 1
1 228 . 13 1 1 A 27 27 HIS H H 27 6.761 7.443 -0.682 1
1 229 . 13 1 1 A 27 27 HIS HA H 27 4.413 4.180 0.233 1
1 234 . 13 1 1 A 27 27 HIS C C 27 178.164 177.273 0.891 1
1 235 . 13 1 1 A 27 27 HIS CA C 27 57.067 58.924 -1.857 1
1 236 . 13 1 1 A 27 27 HIS CB C 27 31.815 29.881 1.934 1
1 239 . 13 1 1 A 27 27 HIS N N 27 121.682 118.919 2.763 1
1 240 . 13 1 1 A 28 28 LEU H H 28 6.960 7.441 -0.481 1
1 241 . 13 1 1 A 28 28 LEU HA H 28 3.190 2.953 0.237 1
1 251 . 13 1 1 A 28 28 LEU C C 28 177.255 178.295 -1.040 1
1 252 . 13 1 1 A 28 28 LEU CA C 28 57.687 57.540 0.147 1
1 253 . 13 1 1 A 28 28 LEU CB C 28 40.420 41.138 -0.718 1
1 257 . 13 1 1 A 28 28 LEU N N 28 122.330 120.016 2.314 1
1 258 . 13 1 1 A 29 29 ALA H H 29 8.293 8.739 -0.446 1
1 259 . 13 1 1 A 29 29 ALA HA H 29 3.936 3.961 -0.025 1
1 263 . 13 1 1 A 29 29 ALA C C 29 180.550 179.664 0.886 1
1 264 . 13 1 1 A 29 29 ALA CA C 29 55.247 55.774 -0.527 1
1 265 . 13 1 1 A 29 29 ALA CB C 29 17.769 18.199 -0.430 1
1 266 . 13 1 1 A 29 29 ALA N N 29 121.027 120.982 0.045 1
1 267 . 13 1 1 A 30 30 ARG H H 30 7.470 7.710 -0.240 1
1 268 . 13 1 1 A 30 30 ARG HA H 30 3.986 3.988 -0.002 1
1 275 . 13 1 1 A 30 30 ARG C C 30 178.649 178.593 0.056 1
1 276 . 13 1 1 A 30 30 ARG CA C 30 58.817 59.337 -0.520 1
1 277 . 13 1 1 A 30 30 ARG CB C 30 30.266 29.990 0.276 1
1 280 . 13 1 1 A 30 30 ARG N N 30 116.540 117.913 -1.373 1
1 281 . 13 1 1 A 31 31 HIS H H 31 7.639 8.083 -0.444 1
1 282 . 13 1 1 A 31 31 HIS HA H 31 4.238 4.122 0.116 1
1 287 . 13 1 1 A 31 31 HIS C C 31 176.034 176.598 -0.564 1
1 288 . 13 1 1 A 31 31 HIS CA C 31 58.663 59.946 -1.283 1
1 289 . 13 1 1 A 31 31 HIS CB C 31 28.646 29.728 -1.082 1
1 292 . 13 1 1 A 31 31 HIS N N 31 119.387 119.617 -0.230 1
1 293 . 13 1 1 A 32 32 ARG H H 32 8.158 8.116 0.042 1
1 294 . 13 1 1 A 32 32 ARG HA H 32 3.677 3.896 -0.219 1
1 301 . 13 1 1 A 32 32 ARG C C 32 177.576 178.967 -1.391 1
1 302 . 13 1 1 A 32 32 ARG CA C 32 59.884 59.824 0.060 1
1 303 . 13 1 1 A 32 32 ARG CB C 32 29.827 30.016 -0.189 1
1 306 . 13 1 1 A 32 32 ARG N N 32 115.483 116.954 -1.471 1
1 307 . 13 1 1 A 33 33 ARG H H 33 7.069 8.182 -1.113 1
1 308 . 13 1 1 A 33 33 ARG HA H 33 4.130 3.929 0.201 1
1 315 . 13 1 1 A 33 33 ARG C C 33 178.283 178.311 -0.028 1
1 316 . 13 1 1 A 33 33 ARG CA C 33 58.201 59.122 -0.921 1
1 317 . 13 1 1 A 33 33 ARG CB C 33 29.938 29.977 -0.039 1
1 320 . 13 1 1 A 33 33 ARG N N 33 116.839 119.882 -3.043 1
1 321 . 13 1 1 A 34 34 VAL H H 34 7.920 8.162 -0.242 1
1 322 . 13 1 1 A 34 34 VAL HA H 34 3.904 3.766 0.138 1
1 330 . 13 1 1 A 34 34 VAL C C 34 177.122 176.945 0.177 1
1 331 . 13 1 1 A 34 34 VAL CA C 34 63.913 65.402 -1.489 1
1 332 . 13 1 1 A 34 34 VAL CB C 34 31.126 31.055 0.071 1
1 335 . 13 1 1 A 34 34 VAL N N 34 116.036 117.513 -1.477 1
1 336 . 13 1 1 A 35 35 HIS H H 35 7.284 8.055 -0.771 1
1 337 . 13 1 1 A 35 35 HIS HA H 35 4.899 4.620 0.279 1
1 342 . 13 1 1 A 35 35 HIS C C 35 175.530 175.091 0.439 1
1 343 . 13 1 1 A 35 35 HIS CA C 35 54.910 54.490 0.420 1
1 344 . 13 1 1 A 35 35 HIS CB C 35 28.775 27.462 1.313 1
1 347 . 13 1 1 A 35 35 HIS N N 35 117.360 119.201 -1.841 1
1 348 . 13 1 1 A 36 36 THR H H 36 7.787 8.596 -0.809 1
1 349 . 13 1 1 A 36 36 THR HA H 36 4.408 4.573 -0.165 1
1 354 . 13 1 1 A 36 36 THR C C 36 175.489 173.848 1.641 1
1 355 . 13 1 1 A 36 36 THR CA C 36 62.176 60.768 1.408 1
1 356 . 13 1 1 A 36 36 THR CB C 36 69.788 69.195 0.593 1
1 358 . 13 1 1 A 36 36 THR N N 36 111.920 112.358 -0.438 1
1 359 . 13 1 1 A 37 37 GLY H H 37 8.364 7.495 0.869 1
1 360 . 13 1 1 A 37 37 GLY HA2 H 37 3.990 4.212 -0.222 1
1 361 . 13 1 1 A 37 37 GLY HA3 H 37 3.990 4.219 -0.229 1
1 362 . 13 1 1 A 37 37 GLY C C 37 174.709 172.349 2.360 1
1 363 . 13 1 1 A 37 37 GLY CA C 37 45.510 46.130 -0.620 1
1 364 . 13 1 1 A 37 37 GLY N N 37 111.087 109.338 1.749 1
1 365 . 13 1 1 A 38 38 GLY H H 38 8.279 8.339 -0.060 1
1 366 . 13 1 1 A 38 38 GLY HA2 H 38 3.940 4.225 -0.285 1
1 367 . 13 1 1 A 38 38 GLY HA3 H 38 3.940 4.230 -0.290 1
1 368 . 13 1 1 A 38 38 GLY C C 38 173.722 172.105 1.617 1
1 369 . 13 1 1 A 38 38 GLY CA C 38 45.104 45.507 -0.403 1
1 370 . 13 1 1 A 38 38 GLY N N 38 108.489 110.361 -1.872 1
1 371 . 13 1 1 A 39 39 LYS H H 39 8.134 8.858 -0.724 1
1 372 . 13 1 1 A 39 39 LYS HA H 39 4.631 4.952 -0.321 1
1 381 . 13 1 1 A 39 39 LYS C C 39 174.669 173.648 1.021 1
1 382 . 13 1 1 A 39 39 LYS CA C 39 54.141 53.350 0.791 1
1 383 . 13 1 1 A 39 39 LYS CB C 39 32.551 35.754 -3.203 1
1 387 . 13 1 1 A 39 39 LYS N N 39 121.858 116.945 4.913 1
1 388 . 13 1 1 A 40 40 PRO HA H 40 4.469 4.674 -0.205 1
1 395 . 13 1 1 A 40 40 PRO CA C 40 63.236 62.707 0.529 1
1 396 . 13 1 1 A 40 40 PRO CB C 40 32.213 31.718 0.495 1
1 399 . 13 1 1 A 42 42 GLY HA2 H 42 4.162 3.742 0.420 1
1 400 . 13 1 1 A 42 42 GLY HA3 H 42 4.111 3.743 0.368 1
1 401 . 13 1 1 A 42 42 GLY CA C 42 44.661 47.933 -3.272 1
1 402 . 13 1 1 A 43 43 PRO HA H 43 4.476 4.246 0.230 1
1 409 . 13 1 1 A 43 43 PRO CA C 43 63.406 65.540 -2.134 1
1 410 . 13 1 1 A 43 43 PRO CB C 43 32.308 30.677 1.631 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 4.033 3.946 0.087 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.033 3.969 0.064 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.556 174.302 0.254 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.402 46.110 -0.708 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.151 8.141 0.010 1
1 6 . 14 1 1 A 8 8 THR HA H 8 4.379 4.799 -0.420 1
1 11 . 14 1 1 A 8 8 THR C C 8 175.289 174.197 1.092 1
1 12 . 14 1 1 A 8 8 THR CA C 8 61.888 60.916 0.972 1
1 13 . 14 1 1 A 8 8 THR CB C 8 69.800 70.360 -0.560 1
1 15 . 14 1 1 A 8 8 THR N N 8 112.871 115.987 -3.116 1
1 16 . 14 1 1 A 9 9 GLY H H 9 8.447 8.291 0.156 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 3.947 4.161 -0.214 1
1 18 . 14 1 1 A 9 9 GLY HA3 H 9 3.947 4.163 -0.216 1
1 19 . 14 1 1 A 9 9 GLY C C 9 174.028 172.018 2.010 1
1 20 . 14 1 1 A 9 9 GLY CA C 9 45.270 45.920 -0.650 1
1 21 . 14 1 1 A 9 9 GLY N N 9 111.093 111.878 -0.785 1
1 22 . 14 1 1 A 10 10 GLU H H 10 8.230 8.479 -0.249 1
1 23 . 14 1 1 A 10 10 GLU HA H 10 4.251 4.885 -0.634 1
1 28 . 14 1 1 A 10 10 GLU C C 10 176.261 175.467 0.794 1
1 29 . 14 1 1 A 10 10 GLU CA C 10 56.565 55.444 1.121 1
1 30 . 14 1 1 A 10 10 GLU CB C 10 30.519 30.628 -0.109 1
1 32 . 14 1 1 A 10 10 GLU N N 10 120.586 120.665 -0.079 1
1 33 . 14 1 1 A 11 11 LYS H H 11 8.317 8.362 -0.045 1
1 34 . 14 1 1 A 11 11 LYS HA H 11 4.540 4.822 -0.282 1
1 43 . 14 1 1 A 11 11 LYS C C 11 174.000 176.039 -2.039 1
1 44 . 14 1 1 A 11 11 LYS CA C 11 53.865 52.849 1.016 1
1 45 . 14 1 1 A 11 11 LYS CB C 11 32.626 34.222 -1.596 1
1 49 . 14 1 1 A 11 11 LYS N N 11 122.992 124.759 -1.767 1
1 50 . 14 1 1 A 12 12 PRO HA H 12 4.331 4.356 -0.025 1
1 57 . 14 1 1 A 12 12 PRO C C 12 176.455 175.717 0.738 1
1 58 . 14 1 1 A 12 12 PRO CA C 12 62.991 64.216 -1.225 1
1 59 . 14 1 1 A 12 12 PRO CB C 12 32.285 31.468 0.817 1
1 62 . 14 1 1 A 13 13 TYR H H 13 8.131 7.578 0.553 1
1 63 . 14 1 1 A 13 13 TYR HA H 13 4.607 4.926 -0.319 1
1 70 . 14 1 1 A 13 13 TYR C C 13 174.080 174.769 -0.689 1
1 71 . 14 1 1 A 13 13 TYR CA C 13 57.300 57.112 0.188 1
1 72 . 14 1 1 A 13 13 TYR CB C 13 38.140 39.084 -0.944 1
1 77 . 14 1 1 A 13 13 TYR N N 13 119.838 118.607 1.231 1
1 78 . 14 1 1 A 14 14 LYS H H 14 8.387 8.846 -0.459 1
1 79 . 14 1 1 A 14 14 LYS HA H 14 5.090 5.392 -0.302 1
1 88 . 14 1 1 A 14 14 LYS C C 14 175.193 174.890 0.303 1
1 89 . 14 1 1 A 14 14 LYS CA C 14 54.801 54.926 -0.125 1
1 90 . 14 1 1 A 14 14 LYS CB C 14 36.002 36.325 -0.323 1
1 94 . 14 1 1 A 14 14 LYS N N 14 124.729 124.544 0.185 1
1 95 . 14 1 1 A 15 15 CYS H H 15 9.365 9.530 -0.165 1
1 96 . 14 1 1 A 15 15 CYS HA H 15 4.546 4.660 -0.114 1
1 99 . 14 1 1 A 15 15 CYS C C 15 176.812 175.676 1.136 1
1 100 . 14 1 1 A 15 15 CYS CA C 15 59.571 59.489 0.082 1
1 101 . 14 1 1 A 15 15 CYS CB C 15 29.635 28.352 1.283 1
1 102 . 14 1 1 A 15 15 CYS N N 15 127.942 124.522 3.420 1
1 103 . 14 1 1 A 16 16 ASN HA H 16 4.528 4.956 -0.428 1
1 108 . 14 1 1 A 16 16 ASN C C 16 175.388 175.555 -0.167 1
1 109 . 14 1 1 A 16 16 ASN CA C 16 55.505 53.568 1.937 1
1 110 . 14 1 1 A 16 16 ASN CB C 16 38.303 38.569 -0.266 1
1 112 . 14 1 1 A 17 17 GLU H H 17 8.730 7.614 1.116 1
1 113 . 14 1 1 A 17 17 GLU HA H 17 4.205 4.275 -0.070 1
1 118 . 14 1 1 A 17 17 GLU C C 17 177.141 177.924 -0.783 1
1 119 . 14 1 1 A 17 17 GLU CA C 17 58.686 57.622 1.064 1
1 120 . 14 1 1 A 17 17 GLU CB C 17 29.296 30.570 -1.274 1
1 122 . 14 1 1 A 17 17 GLU N N 17 120.847 118.233 2.614 1
1 123 . 14 1 1 A 18 18 CYS H H 18 7.941 8.129 -0.188 1
1 124 . 14 1 1 A 18 18 CYS HA H 18 5.174 4.684 0.490 1
1 127 . 14 1 1 A 18 18 CYS C C 18 176.186 175.365 0.821 1
1 128 . 14 1 1 A 18 18 CYS CA C 18 58.326 59.779 -1.453 1
1 129 . 14 1 1 A 18 18 CYS CB C 18 32.423 29.931 2.492 1
1 130 . 14 1 1 A 18 18 CYS N N 18 114.765 114.992 -0.227 1
1 131 . 14 1 1 A 19 19 GLY H H 19 8.207 8.008 0.199 1
1 132 . 14 1 1 A 19 19 GLY HA2 H 19 3.735 4.080 -0.345 1
1 133 . 14 1 1 A 19 19 GLY HA3 H 19 4.246 4.089 0.157 1
1 134 . 14 1 1 A 19 19 GLY C C 19 173.563 174.102 -0.539 1
1 135 . 14 1 1 A 19 19 GLY CA C 19 46.287 45.302 0.985 1
1 136 . 14 1 1 A 19 19 GLY N N 19 113.536 109.812 3.724 1
1 137 . 14 1 1 A 20 20 LYS H H 20 7.904 7.873 0.031 1
1 138 . 14 1 1 A 20 20 LYS HA H 20 3.984 4.628 -0.644 1
1 147 . 14 1 1 A 20 20 LYS C C 20 174.306 175.565 -1.259 1
1 148 . 14 1 1 A 20 20 LYS CA C 20 58.283 54.343 3.940 1
1 149 . 14 1 1 A 20 20 LYS CB C 20 33.875 34.416 -0.541 1
1 153 . 14 1 1 A 20 20 LYS N N 20 122.594 118.800 3.794 1
1 154 . 14 1 1 A 21 21 VAL H H 21 7.635 8.194 -0.559 1
1 155 . 14 1 1 A 21 21 VAL HA H 21 4.756 4.979 -0.223 1
1 163 . 14 1 1 A 21 21 VAL C C 21 175.180 174.124 1.056 1
1 164 . 14 1 1 A 21 21 VAL CA C 21 60.394 60.138 0.256 1
1 165 . 14 1 1 A 21 21 VAL CB C 21 33.875 35.842 -1.967 1
1 168 . 14 1 1 A 21 21 VAL N N 21 117.274 119.848 -2.574 1
1 169 . 14 1 1 A 22 22 PHE H H 22 8.752 9.072 -0.320 1
1 170 . 14 1 1 A 22 22 PHE HA H 22 4.895 4.865 0.030 1
1 178 . 14 1 1 A 22 22 PHE C C 22 175.688 175.620 0.068 1
1 179 . 14 1 1 A 22 22 PHE CA C 22 56.949 56.695 0.254 1
1 180 . 14 1 1 A 22 22 PHE CB C 22 43.525 43.227 0.298 1
1 186 . 14 1 1 A 22 22 PHE N N 22 121.527 123.814 -2.287 1
1 187 . 14 1 1 A 23 23 THR H H 23 9.516 8.570 0.946 1
1 188 . 14 1 1 A 23 23 THR HA H 23 4.572 4.382 0.190 1
1 193 . 14 1 1 A 23 23 THR C C 23 174.880 173.978 0.902 1
1 194 . 14 1 1 A 23 23 THR CA C 23 63.272 63.614 -0.342 1
1 195 . 14 1 1 A 23 23 THR CB C 23 69.636 69.892 -0.256 1
1 197 . 14 1 1 A 23 23 THR N N 23 111.253 116.603 -5.350 1
1 198 . 14 1 1 A 24 24 GLN H H 24 7.074 7.497 -0.423 1
1 199 . 14 1 1 A 24 24 GLN HA H 24 4.531 4.317 0.214 1
1 206 . 14 1 1 A 24 24 GLN C C 24 175.849 175.118 0.731 1
1 207 . 14 1 1 A 24 24 GLN CA C 24 54.002 53.958 0.044 1
1 208 . 14 1 1 A 24 24 GLN CB C 24 32.066 31.360 0.706 1
1 210 . 14 1 1 A 24 24 GLN N N 24 115.274 118.546 -3.272 1
1 212 . 14 1 1 A 25 25 ASN HA H 25 3.618 4.017 -0.399 1
1 217 . 14 1 1 A 25 25 ASN CA C 25 56.193 57.101 -0.908 1
1 218 . 14 1 1 A 25 25 ASN CB C 25 38.289 38.847 -0.558 1
1 219 . 14 1 1 A 25 25 ASN N N 25 119.000 123.277 -4.277 1
1 221 . 14 1 1 A 26 26 SER HA H 26 4.045 4.051 -0.006 1
1 224 . 14 1 1 A 26 26 SER C C 26 177.179 177.048 0.131 1
1 225 . 14 1 1 A 26 26 SER CA C 26 60.858 61.808 -0.950 1
1 226 . 14 1 1 A 26 26 SER CB C 26 61.697 63.041 -1.344 1
1 227 . 14 1 1 A 26 26 SER N N 26 116.000 113.614 2.386 1
1 228 . 14 1 1 A 27 27 HIS H H 27 6.761 8.529 -1.768 1
1 229 . 14 1 1 A 27 27 HIS HA H 27 4.413 4.202 0.211 1
1 234 . 14 1 1 A 27 27 HIS C C 27 178.164 177.159 1.005 1
1 235 . 14 1 1 A 27 27 HIS CA C 27 57.067 59.116 -2.049 1
1 236 . 14 1 1 A 27 27 HIS CB C 27 31.815 29.985 1.830 1
1 239 . 14 1 1 A 27 27 HIS N N 27 121.682 118.756 2.926 1
1 240 . 14 1 1 A 28 28 LEU H H 28 6.960 7.702 -0.742 1
1 241 . 14 1 1 A 28 28 LEU HA H 28 3.190 2.806 0.384 1
1 251 . 14 1 1 A 28 28 LEU C C 28 177.255 177.989 -0.734 1
1 252 . 14 1 1 A 28 28 LEU CA C 28 57.687 57.613 0.074 1
1 253 . 14 1 1 A 28 28 LEU CB C 28 40.420 41.451 -1.031 1
1 257 . 14 1 1 A 28 28 LEU N N 28 122.330 120.182 2.148 1
1 258 . 14 1 1 A 29 29 ALA H H 29 8.293 8.404 -0.111 1
1 259 . 14 1 1 A 29 29 ALA HA H 29 3.936 3.903 0.033 1
1 263 . 14 1 1 A 29 29 ALA C C 29 180.550 179.843 0.707 1
1 264 . 14 1 1 A 29 29 ALA CA C 29 55.247 55.494 -0.247 1
1 265 . 14 1 1 A 29 29 ALA CB C 29 17.769 18.454 -0.685 1
1 266 . 14 1 1 A 29 29 ALA N N 29 121.027 120.534 0.493 1
1 267 . 14 1 1 A 30 30 ARG H H 30 7.470 7.691 -0.221 1
1 268 . 14 1 1 A 30 30 ARG HA H 30 3.986 3.937 0.049 1
1 275 . 14 1 1 A 30 30 ARG C C 30 178.649 178.546 0.103 1
1 276 . 14 1 1 A 30 30 ARG CA C 30 58.817 59.282 -0.465 1
1 277 . 14 1 1 A 30 30 ARG CB C 30 30.266 30.149 0.117 1
1 280 . 14 1 1 A 30 30 ARG N N 30 116.540 118.039 -1.499 1
1 281 . 14 1 1 A 31 31 HIS H H 31 7.639 8.135 -0.496 1
1 282 . 14 1 1 A 31 31 HIS HA H 31 4.238 4.056 0.182 1
1 287 . 14 1 1 A 31 31 HIS C C 31 176.034 176.570 -0.536 1
1 288 . 14 1 1 A 31 31 HIS CA C 31 58.663 59.832 -1.169 1
1 289 . 14 1 1 A 31 31 HIS CB C 31 28.646 29.728 -1.082 1
1 292 . 14 1 1 A 31 31 HIS N N 31 119.387 119.425 -0.038 1
1 293 . 14 1 1 A 32 32 ARG H H 32 8.158 8.128 0.030 1
1 294 . 14 1 1 A 32 32 ARG HA H 32 3.677 3.910 -0.233 1
1 301 . 14 1 1 A 32 32 ARG C C 32 177.576 179.172 -1.596 1
1 302 . 14 1 1 A 32 32 ARG CA C 32 59.884 59.746 0.138 1
1 303 . 14 1 1 A 32 32 ARG CB C 32 29.827 30.034 -0.207 1
1 306 . 14 1 1 A 32 32 ARG N N 32 115.483 117.399 -1.916 1
1 307 . 14 1 1 A 33 33 ARG H H 33 7.069 8.334 -1.265 1
1 308 . 14 1 1 A 33 33 ARG HA H 33 4.130 3.934 0.196 1
1 315 . 14 1 1 A 33 33 ARG C C 33 178.283 178.511 -0.228 1
1 316 . 14 1 1 A 33 33 ARG CA C 33 58.201 59.109 -0.908 1
1 317 . 14 1 1 A 33 33 ARG CB C 33 29.938 29.855 0.083 1
1 320 . 14 1 1 A 33 33 ARG N N 33 116.839 119.717 -2.878 1
1 321 . 14 1 1 A 34 34 VAL H H 34 7.920 8.047 -0.127 1
1 322 . 14 1 1 A 34 34 VAL HA H 34 3.904 3.746 0.158 1
1 330 . 14 1 1 A 34 34 VAL C C 34 177.122 176.666 0.456 1
1 331 . 14 1 1 A 34 34 VAL CA C 34 63.913 65.451 -1.538 1
1 332 . 14 1 1 A 34 34 VAL CB C 34 31.126 30.966 0.160 1
1 335 . 14 1 1 A 34 34 VAL N N 34 116.036 117.331 -1.295 1
1 336 . 14 1 1 A 35 35 HIS H H 35 7.284 8.014 -0.730 1
1 337 . 14 1 1 A 35 35 HIS HA H 35 4.899 4.592 0.307 1
1 342 . 14 1 1 A 35 35 HIS C C 35 175.530 173.579 1.951 1
1 343 . 14 1 1 A 35 35 HIS CA C 35 54.910 54.564 0.346 1
1 344 . 14 1 1 A 35 35 HIS CB C 35 28.775 27.419 1.356 1
1 347 . 14 1 1 A 35 35 HIS N N 35 117.360 119.455 -2.095 1
1 348 . 14 1 1 A 36 36 THR H H 36 7.787 8.154 -0.367 1
1 349 . 14 1 1 A 36 36 THR HA H 36 4.408 4.998 -0.590 1
1 354 . 14 1 1 A 36 36 THR C C 36 175.489 174.022 1.467 1
1 355 . 14 1 1 A 36 36 THR CA C 36 62.176 60.157 2.019 1
1 356 . 14 1 1 A 36 36 THR CB C 36 69.788 71.355 -1.567 1
1 358 . 14 1 1 A 36 36 THR N N 36 111.920 112.207 -0.287 1
1 359 . 14 1 1 A 37 37 GLY H H 37 8.364 8.655 -0.291 1
1 360 . 14 1 1 A 37 37 GLY HA2 H 37 3.990 3.944 0.046 1
1 361 . 14 1 1 A 37 37 GLY HA3 H 37 3.990 3.947 0.043 1
1 362 . 14 1 1 A 37 37 GLY C C 37 174.709 174.251 0.458 1
1 363 . 14 1 1 A 37 37 GLY CA C 37 45.510 46.844 -1.334 1
1 364 . 14 1 1 A 37 37 GLY N N 37 111.087 113.410 -2.323 1
1 365 . 14 1 1 A 38 38 GLY H H 38 8.279 8.448 -0.169 1
1 366 . 14 1 1 A 38 38 GLY HA2 H 38 3.940 4.150 -0.210 1
1 367 . 14 1 1 A 38 38 GLY HA3 H 38 3.940 4.153 -0.213 1
1 368 . 14 1 1 A 38 38 GLY C C 38 173.722 172.783 0.939 1
1 369 . 14 1 1 A 38 38 GLY CA C 38 45.104 44.479 0.625 1
1 370 . 14 1 1 A 38 38 GLY N N 38 108.489 106.770 1.719 1
1 371 . 14 1 1 A 39 39 LYS H H 39 8.134 8.547 -0.413 1
1 372 . 14 1 1 A 39 39 LYS HA H 39 4.631 4.815 -0.184 1
1 381 . 14 1 1 A 39 39 LYS C C 39 174.669 174.498 0.171 1
1 382 . 14 1 1 A 39 39 LYS CA C 39 54.141 53.111 1.030 1
1 383 . 14 1 1 A 39 39 LYS CB C 39 32.551 33.329 -0.778 1
1 387 . 14 1 1 A 39 39 LYS N N 39 121.858 120.461 1.397 1
1 388 . 14 1 1 A 40 40 PRO HA H 40 4.469 4.612 -0.143 1
1 395 . 14 1 1 A 40 40 PRO CA C 40 63.236 62.471 0.765 1
1 396 . 14 1 1 A 40 40 PRO CB C 40 32.213 32.601 -0.388 1
1 399 . 14 1 1 A 42 42 GLY HA2 H 42 4.162 4.060 0.102 1
1 400 . 14 1 1 A 42 42 GLY HA3 H 42 4.111 4.061 0.050 1
1 401 . 14 1 1 A 42 42 GLY CA C 42 44.661 45.595 -0.934 1
1 402 . 14 1 1 A 43 43 PRO HA H 43 4.476 4.504 -0.028 1
1 409 . 14 1 1 A 43 43 PRO CA C 43 63.406 62.371 1.035 1
1 410 . 14 1 1 A 43 43 PRO CB C 43 32.308 32.766 -0.458 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 4.033 4.056 -0.023 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.033 4.057 -0.024 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.556 174.148 0.408 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.402 45.661 -0.259 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.151 7.772 0.379 1
1 6 . 15 1 1 A 8 8 THR HA H 8 4.379 4.760 -0.381 1
1 11 . 15 1 1 A 8 8 THR C C 8 175.289 174.030 1.259 1
1 12 . 15 1 1 A 8 8 THR CA C 8 61.888 61.058 0.830 1
1 13 . 15 1 1 A 8 8 THR CB C 8 69.800 69.536 0.264 1
1 15 . 15 1 1 A 8 8 THR N N 8 112.871 116.461 -3.590 1
1 16 . 15 1 1 A 9 9 GLY H H 9 8.447 8.553 -0.106 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 3.947 4.098 -0.151 1
1 18 . 15 1 1 A 9 9 GLY HA3 H 9 3.947 4.102 -0.155 1
1 19 . 15 1 1 A 9 9 GLY C C 9 174.028 174.899 -0.871 1
1 20 . 15 1 1 A 9 9 GLY CA C 9 45.270 45.496 -0.226 1
1 21 . 15 1 1 A 9 9 GLY N N 9 111.093 114.934 -3.841 1
1 22 . 15 1 1 A 10 10 GLU H H 10 8.230 8.381 -0.151 1
1 23 . 15 1 1 A 10 10 GLU HA H 10 4.251 3.936 0.315 1
1 28 . 15 1 1 A 10 10 GLU C C 10 176.261 175.222 1.039 1
1 29 . 15 1 1 A 10 10 GLU CA C 10 56.565 57.459 -0.894 1
1 30 . 15 1 1 A 10 10 GLU CB C 10 30.519 28.462 2.057 1
1 32 . 15 1 1 A 10 10 GLU N N 10 120.586 120.380 0.206 1
1 33 . 15 1 1 A 11 11 LYS H H 11 8.317 8.077 0.240 1
1 34 . 15 1 1 A 11 11 LYS HA H 11 4.540 4.922 -0.382 1
1 43 . 15 1 1 A 11 11 LYS C C 11 174.000 174.949 -0.949 1
1 44 . 15 1 1 A 11 11 LYS CA C 11 53.865 53.541 0.324 1
1 45 . 15 1 1 A 11 11 LYS CB C 11 32.626 33.152 -0.526 1
1 49 . 15 1 1 A 11 11 LYS N N 11 122.992 119.293 3.699 1
1 50 . 15 1 1 A 12 12 PRO HA H 12 4.331 4.514 -0.183 1
1 57 . 15 1 1 A 12 12 PRO C C 12 176.455 175.857 0.598 1
1 58 . 15 1 1 A 12 12 PRO CA C 12 62.991 64.322 -1.331 1
1 59 . 15 1 1 A 12 12 PRO CB C 12 32.285 31.502 0.783 1
1 62 . 15 1 1 A 13 13 TYR H H 13 8.131 7.499 0.632 1
1 63 . 15 1 1 A 13 13 TYR HA H 13 4.607 4.743 -0.136 1
1 70 . 15 1 1 A 13 13 TYR C C 13 174.080 174.973 -0.893 1
1 71 . 15 1 1 A 13 13 TYR CA C 13 57.300 57.992 -0.692 1
1 72 . 15 1 1 A 13 13 TYR CB C 13 38.140 38.894 -0.754 1
1 77 . 15 1 1 A 13 13 TYR N N 13 119.838 118.594 1.244 1
1 78 . 15 1 1 A 14 14 LYS H H 14 8.387 8.945 -0.558 1
1 79 . 15 1 1 A 14 14 LYS HA H 14 5.090 5.327 -0.237 1
1 88 . 15 1 1 A 14 14 LYS C C 14 175.193 174.486 0.707 1
1 89 . 15 1 1 A 14 14 LYS CA C 14 54.801 54.494 0.307 1
1 90 . 15 1 1 A 14 14 LYS CB C 14 36.002 36.265 -0.263 1
1 94 . 15 1 1 A 14 14 LYS N N 14 124.729 124.271 0.458 1
1 95 . 15 1 1 A 15 15 CYS H H 15 9.365 9.287 0.078 1
1 96 . 15 1 1 A 15 15 CYS HA H 15 4.546 4.801 -0.255 1
1 99 . 15 1 1 A 15 15 CYS C C 15 176.812 176.233 0.579 1
1 100 . 15 1 1 A 15 15 CYS CA C 15 59.571 58.412 1.159 1
1 101 . 15 1 1 A 15 15 CYS CB C 15 29.635 29.187 0.448 1
1 102 . 15 1 1 A 15 15 CYS N N 15 127.942 124.190 3.752 1
1 103 . 15 1 1 A 16 16 ASN HA H 16 4.528 4.878 -0.350 1
1 108 . 15 1 1 A 16 16 ASN C C 16 175.388 175.576 -0.188 1
1 109 . 15 1 1 A 16 16 ASN CA C 16 55.505 53.739 1.766 1
1 110 . 15 1 1 A 16 16 ASN CB C 16 38.303 38.447 -0.144 1
1 112 . 15 1 1 A 17 17 GLU H H 17 8.730 7.628 1.102 1
1 113 . 15 1 1 A 17 17 GLU HA H 17 4.205 4.257 -0.052 1
1 118 . 15 1 1 A 17 17 GLU C C 17 177.141 177.980 -0.839 1
1 119 . 15 1 1 A 17 17 GLU CA C 17 58.686 57.457 1.229 1
1 120 . 15 1 1 A 17 17 GLU CB C 17 29.296 30.427 -1.131 1
1 122 . 15 1 1 A 17 17 GLU N N 17 120.847 117.956 2.891 1
1 123 . 15 1 1 A 18 18 CYS H H 18 7.941 8.095 -0.154 1
1 124 . 15 1 1 A 18 18 CYS HA H 18 5.174 4.687 0.487 1
1 127 . 15 1 1 A 18 18 CYS C C 18 176.186 175.416 0.770 1
1 128 . 15 1 1 A 18 18 CYS CA C 18 58.326 59.772 -1.446 1
1 129 . 15 1 1 A 18 18 CYS CB C 18 32.423 29.919 2.504 1
1 130 . 15 1 1 A 18 18 CYS N N 18 114.765 114.746 0.019 1
1 131 . 15 1 1 A 19 19 GLY H H 19 8.207 8.091 0.116 1
1 132 . 15 1 1 A 19 19 GLY HA2 H 19 3.735 4.071 -0.336 1
1 133 . 15 1 1 A 19 19 GLY HA3 H 19 4.246 4.076 0.170 1
1 134 . 15 1 1 A 19 19 GLY C C 19 173.563 174.071 -0.508 1
1 135 . 15 1 1 A 19 19 GLY CA C 19 46.287 45.220 1.067 1
1 136 . 15 1 1 A 19 19 GLY N N 19 113.536 109.929 3.607 1
1 137 . 15 1 1 A 20 20 LYS H H 20 7.904 7.793 0.111 1
1 138 . 15 1 1 A 20 20 LYS HA H 20 3.984 4.528 -0.544 1
1 147 . 15 1 1 A 20 20 LYS C C 20 174.306 175.448 -1.142 1
1 148 . 15 1 1 A 20 20 LYS CA C 20 58.283 54.308 3.975 1
1 149 . 15 1 1 A 20 20 LYS CB C 20 33.875 34.288 -0.413 1
1 153 . 15 1 1 A 20 20 LYS N N 20 122.594 119.254 3.340 1
1 154 . 15 1 1 A 21 21 VAL H H 21 7.635 8.323 -0.688 1
1 155 . 15 1 1 A 21 21 VAL HA H 21 4.756 5.079 -0.323 1
1 163 . 15 1 1 A 21 21 VAL C C 21 175.180 174.658 0.522 1
1 164 . 15 1 1 A 21 21 VAL CA C 21 60.394 61.011 -0.617 1
1 165 . 15 1 1 A 21 21 VAL CB C 21 33.875 33.566 0.309 1
1 168 . 15 1 1 A 21 21 VAL N N 21 117.274 123.207 -5.933 1
1 169 . 15 1 1 A 22 22 PHE H H 22 8.752 9.149 -0.397 1
1 170 . 15 1 1 A 22 22 PHE HA H 22 4.895 4.839 0.056 1
1 178 . 15 1 1 A 22 22 PHE C C 22 175.688 175.732 -0.044 1
1 179 . 15 1 1 A 22 22 PHE CA C 22 56.949 56.891 0.058 1
1 180 . 15 1 1 A 22 22 PHE CB C 22 43.525 43.432 0.093 1
1 186 . 15 1 1 A 22 22 PHE N N 22 121.527 124.067 -2.540 1
1 187 . 15 1 1 A 23 23 THR H H 23 9.516 8.720 0.796 1
1 188 . 15 1 1 A 23 23 THR HA H 23 4.572 4.356 0.216 1
1 193 . 15 1 1 A 23 23 THR C C 23 174.880 173.924 0.956 1
1 194 . 15 1 1 A 23 23 THR CA C 23 63.272 64.202 -0.930 1
1 195 . 15 1 1 A 23 23 THR CB C 23 69.636 69.830 -0.194 1
1 197 . 15 1 1 A 23 23 THR N N 23 111.253 117.019 -5.766 1
1 198 . 15 1 1 A 24 24 GLN H H 24 7.074 7.576 -0.502 1
1 199 . 15 1 1 A 24 24 GLN HA H 24 4.531 4.298 0.233 1
1 206 . 15 1 1 A 24 24 GLN C C 24 175.849 175.883 -0.034 1
1 207 . 15 1 1 A 24 24 GLN CA C 24 54.002 53.948 0.054 1
1 208 . 15 1 1 A 24 24 GLN CB C 24 32.066 30.907 1.159 1
1 210 . 15 1 1 A 24 24 GLN N N 24 115.274 117.908 -2.634 1
1 212 . 15 1 1 A 25 25 ASN HA H 25 3.618 3.978 -0.360 1
1 217 . 15 1 1 A 25 25 ASN CA C 25 56.193 55.458 0.735 1
1 218 . 15 1 1 A 25 25 ASN CB C 25 38.289 37.444 0.845 1
1 219 . 15 1 1 A 25 25 ASN N N 25 119.000 119.529 -0.529 1
1 221 . 15 1 1 A 26 26 SER HA H 26 4.045 4.080 -0.035 1
1 224 . 15 1 1 A 26 26 SER C C 26 177.179 176.873 0.306 1
1 225 . 15 1 1 A 26 26 SER CA C 26 60.858 61.303 -0.445 1
1 226 . 15 1 1 A 26 26 SER CB C 26 61.697 62.426 -0.729 1
1 227 . 15 1 1 A 26 26 SER N N 26 116.000 114.063 1.937 1
1 228 . 15 1 1 A 27 27 HIS H H 27 6.761 7.935 -1.174 1
1 229 . 15 1 1 A 27 27 HIS HA H 27 4.413 4.132 0.281 1
1 234 . 15 1 1 A 27 27 HIS C C 27 178.164 177.186 0.978 1
1 235 . 15 1 1 A 27 27 HIS CA C 27 57.067 58.590 -1.523 1
1 236 . 15 1 1 A 27 27 HIS CB C 27 31.815 29.614 2.201 1
1 239 . 15 1 1 A 27 27 HIS N N 27 121.682 118.331 3.351 1
1 240 . 15 1 1 A 28 28 LEU H H 28 6.960 7.685 -0.725 1
1 241 . 15 1 1 A 28 28 LEU HA H 28 3.190 3.271 -0.081 1
1 251 . 15 1 1 A 28 28 LEU C C 28 177.255 178.209 -0.954 1
1 252 . 15 1 1 A 28 28 LEU CA C 28 57.687 57.639 0.048 1
1 253 . 15 1 1 A 28 28 LEU CB C 28 40.420 41.446 -1.026 1
1 257 . 15 1 1 A 28 28 LEU N N 28 122.330 120.622 1.708 1
1 258 . 15 1 1 A 29 29 ALA H H 29 8.293 8.513 -0.220 1
1 259 . 15 1 1 A 29 29 ALA HA H 29 3.936 3.966 -0.030 1
1 263 . 15 1 1 A 29 29 ALA C C 29 180.550 179.068 1.482 1
1 264 . 15 1 1 A 29 29 ALA CA C 29 55.247 55.217 0.030 1
1 265 . 15 1 1 A 29 29 ALA CB C 29 17.769 18.096 -0.327 1
1 266 . 15 1 1 A 29 29 ALA N N 29 121.027 120.943 0.084 1
1 267 . 15 1 1 A 30 30 ARG H H 30 7.470 8.022 -0.552 1
1 268 . 15 1 1 A 30 30 ARG HA H 30 3.986 4.137 -0.151 1
1 275 . 15 1 1 A 30 30 ARG C C 30 178.649 177.839 0.810 1
1 276 . 15 1 1 A 30 30 ARG CA C 30 58.817 57.454 1.363 1
1 277 . 15 1 1 A 30 30 ARG CB C 30 30.266 30.430 -0.164 1
1 280 . 15 1 1 A 30 30 ARG N N 30 116.540 117.200 -0.660 1
1 281 . 15 1 1 A 31 31 HIS H H 31 7.639 7.871 -0.232 1
1 282 . 15 1 1 A 31 31 HIS HA H 31 4.238 4.200 0.038 1
1 287 . 15 1 1 A 31 31 HIS C C 31 176.034 177.111 -1.077 1
1 288 . 15 1 1 A 31 31 HIS CA C 31 58.663 58.910 -0.247 1
1 289 . 15 1 1 A 31 31 HIS CB C 31 28.646 30.013 -1.367 1
1 292 . 15 1 1 A 31 31 HIS N N 31 119.387 121.545 -2.158 1
1 293 . 15 1 1 A 32 32 ARG H H 32 8.158 8.579 -0.421 1
1 294 . 15 1 1 A 32 32 ARG HA H 32 3.677 3.985 -0.308 1
1 301 . 15 1 1 A 32 32 ARG C C 32 177.576 178.545 -0.969 1
1 302 . 15 1 1 A 32 32 ARG CA C 32 59.884 59.889 -0.005 1
1 303 . 15 1 1 A 32 32 ARG CB C 32 29.827 29.930 -0.103 1
1 306 . 15 1 1 A 32 32 ARG N N 32 115.483 118.472 -2.989 1
1 307 . 15 1 1 A 33 33 ARG H H 33 7.069 7.735 -0.666 1
1 308 . 15 1 1 A 33 33 ARG HA H 33 4.130 4.396 -0.266 1
1 315 . 15 1 1 A 33 33 ARG C C 33 178.283 177.768 0.515 1
1 316 . 15 1 1 A 33 33 ARG CA C 33 58.201 58.594 -0.393 1
1 317 . 15 1 1 A 33 33 ARG CB C 33 29.938 29.827 0.111 1
1 320 . 15 1 1 A 33 33 ARG N N 33 116.839 118.050 -1.211 1
1 321 . 15 1 1 A 34 34 VAL H H 34 7.920 8.067 -0.147 1
1 322 . 15 1 1 A 34 34 VAL HA H 34 3.904 3.716 0.188 1
1 330 . 15 1 1 A 34 34 VAL C C 34 177.122 177.237 -0.115 1
1 331 . 15 1 1 A 34 34 VAL CA C 34 63.913 65.029 -1.116 1
1 332 . 15 1 1 A 34 34 VAL CB C 34 31.126 31.066 0.060 1
1 335 . 15 1 1 A 34 34 VAL N N 34 116.036 115.469 0.567 1
1 336 . 15 1 1 A 35 35 HIS H H 35 7.284 7.923 -0.639 1
1 337 . 15 1 1 A 35 35 HIS HA H 35 4.899 4.449 0.450 1
1 342 . 15 1 1 A 35 35 HIS C C 35 175.530 175.570 -0.040 1
1 343 . 15 1 1 A 35 35 HIS CA C 35 54.910 58.583 -3.673 1
1 344 . 15 1 1 A 35 35 HIS CB C 35 28.775 31.047 -2.272 1
1 347 . 15 1 1 A 35 35 HIS N N 35 117.360 119.158 -1.798 1
1 348 . 15 1 1 A 36 36 THR H H 36 7.787 7.101 0.686 1
1 349 . 15 1 1 A 36 36 THR HA H 36 4.408 4.155 0.253 1
1 354 . 15 1 1 A 36 36 THR C C 36 175.489 175.262 0.227 1
1 355 . 15 1 1 A 36 36 THR CA C 36 62.176 62.338 -0.162 1
1 356 . 15 1 1 A 36 36 THR CB C 36 69.788 69.274 0.514 1
1 358 . 15 1 1 A 36 36 THR N N 36 111.920 111.483 0.437 1
1 359 . 15 1 1 A 37 37 GLY H H 37 8.364 8.370 -0.006 1
1 360 . 15 1 1 A 37 37 GLY HA2 H 37 3.990 4.117 -0.127 1
1 361 . 15 1 1 A 37 37 GLY HA3 H 37 3.990 4.122 -0.132 1
1 362 . 15 1 1 A 37 37 GLY C C 37 174.709 173.573 1.136 1
1 363 . 15 1 1 A 37 37 GLY CA C 37 45.510 44.632 0.878 1
1 364 . 15 1 1 A 37 37 GLY N N 37 111.087 111.222 -0.135 1
1 365 . 15 1 1 A 38 38 GLY H H 38 8.279 8.612 -0.333 1
1 366 . 15 1 1 A 38 38 GLY HA2 H 38 3.940 4.166 -0.226 1
1 367 . 15 1 1 A 38 38 GLY HA3 H 38 3.940 4.167 -0.227 1
1 368 . 15 1 1 A 38 38 GLY C C 38 173.722 174.472 -0.750 1
1 369 . 15 1 1 A 38 38 GLY CA C 38 45.104 45.409 -0.305 1
1 370 . 15 1 1 A 38 38 GLY N N 38 108.489 107.694 0.795 1
1 371 . 15 1 1 A 39 39 LYS H H 39 8.134 8.031 0.103 1
1 372 . 15 1 1 A 39 39 LYS HA H 39 4.631 4.320 0.311 1
1 381 . 15 1 1 A 39 39 LYS C C 39 174.669 176.404 -1.735 1
1 382 . 15 1 1 A 39 39 LYS CA C 39 54.141 55.270 -1.129 1
1 383 . 15 1 1 A 39 39 LYS CB C 39 32.551 32.100 0.451 1
1 387 . 15 1 1 A 39 39 LYS N N 39 121.858 120.993 0.865 1
1 388 . 15 1 1 A 40 40 PRO HA H 40 4.469 4.493 -0.024 1
1 395 . 15 1 1 A 40 40 PRO CA C 40 63.236 63.661 -0.425 1
1 396 . 15 1 1 A 40 40 PRO CB C 40 32.213 32.381 -0.168 1
1 399 . 15 1 1 A 42 42 GLY HA2 H 42 4.162 3.832 0.330 1
1 400 . 15 1 1 A 42 42 GLY HA3 H 42 4.111 3.832 0.279 1
1 401 . 15 1 1 A 42 42 GLY CA C 42 44.661 47.442 -2.781 1
1 402 . 15 1 1 A 43 43 PRO HA H 43 4.476 4.681 -0.205 1
1 409 . 15 1 1 A 43 43 PRO CA C 43 63.406 62.763 0.643 1
1 410 . 15 1 1 A 43 43 PRO CB C 43 32.308 31.880 0.428 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 4.033 3.960 0.073 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.033 3.964 0.069 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.556 174.166 0.390 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.402 45.072 0.330 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.151 8.089 0.062 1
1 6 . 16 1 1 A 8 8 THR HA H 8 4.379 4.391 -0.012 1
1 11 . 16 1 1 A 8 8 THR C C 8 175.289 174.539 0.750 1
1 12 . 16 1 1 A 8 8 THR CA C 8 61.888 62.403 -0.515 1
1 13 . 16 1 1 A 8 8 THR CB C 8 69.800 68.355 1.445 1
1 15 . 16 1 1 A 8 8 THR N N 8 112.871 115.310 -2.439 1
1 16 . 16 1 1 A 9 9 GLY H H 9 8.447 8.322 0.125 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 3.947 4.183 -0.236 1
1 18 . 16 1 1 A 9 9 GLY HA3 H 9 3.947 4.192 -0.245 1
1 19 . 16 1 1 A 9 9 GLY C C 9 174.028 172.668 1.360 1
1 20 . 16 1 1 A 9 9 GLY CA C 9 45.270 45.755 -0.485 1
1 21 . 16 1 1 A 9 9 GLY N N 9 111.093 111.771 -0.678 1
1 22 . 16 1 1 A 10 10 GLU H H 10 8.230 8.537 -0.307 1
1 23 . 16 1 1 A 10 10 GLU HA H 10 4.251 4.951 -0.700 1
1 28 . 16 1 1 A 10 10 GLU C C 10 176.261 175.476 0.785 1
1 29 . 16 1 1 A 10 10 GLU CA C 10 56.565 55.438 1.127 1
1 30 . 16 1 1 A 10 10 GLU CB C 10 30.519 31.788 -1.269 1
1 32 . 16 1 1 A 10 10 GLU N N 10 120.586 118.023 2.563 1
1 33 . 16 1 1 A 11 11 LYS H H 11 8.317 8.276 0.041 1
1 34 . 16 1 1 A 11 11 LYS HA H 11 4.540 4.780 -0.240 1
1 43 . 16 1 1 A 11 11 LYS C C 11 174.000 176.349 -2.349 1
1 44 . 16 1 1 A 11 11 LYS CA C 11 53.865 53.300 0.565 1
1 45 . 16 1 1 A 11 11 LYS CB C 11 32.626 34.691 -2.065 1
1 49 . 16 1 1 A 11 11 LYS N N 11 122.992 120.514 2.478 1
1 50 . 16 1 1 A 12 12 PRO HA H 12 4.331 4.312 0.019 1
1 57 . 16 1 1 A 12 12 PRO C C 12 176.455 175.782 0.673 1
1 58 . 16 1 1 A 12 12 PRO CA C 12 62.991 64.504 -1.513 1
1 59 . 16 1 1 A 12 12 PRO CB C 12 32.285 31.759 0.526 1
1 62 . 16 1 1 A 13 13 TYR H H 13 8.131 7.854 0.277 1
1 63 . 16 1 1 A 13 13 TYR HA H 13 4.607 4.928 -0.321 1
1 70 . 16 1 1 A 13 13 TYR C C 13 174.080 174.579 -0.499 1
1 71 . 16 1 1 A 13 13 TYR CA C 13 57.300 57.236 0.064 1
1 72 . 16 1 1 A 13 13 TYR CB C 13 38.140 38.966 -0.826 1
1 77 . 16 1 1 A 13 13 TYR N N 13 119.838 118.163 1.675 1
1 78 . 16 1 1 A 14 14 LYS H H 14 8.387 8.822 -0.435 1
1 79 . 16 1 1 A 14 14 LYS HA H 14 5.090 5.224 -0.134 1
1 88 . 16 1 1 A 14 14 LYS C C 14 175.193 174.737 0.456 1
1 89 . 16 1 1 A 14 14 LYS CA C 14 54.801 54.760 0.041 1
1 90 . 16 1 1 A 14 14 LYS CB C 14 36.002 36.345 -0.343 1
1 94 . 16 1 1 A 14 14 LYS N N 14 124.729 124.562 0.167 1
1 95 . 16 1 1 A 15 15 CYS H H 15 9.365 9.408 -0.043 1
1 96 . 16 1 1 A 15 15 CYS HA H 15 4.546 4.751 -0.205 1
1 99 . 16 1 1 A 15 15 CYS C C 15 176.812 175.963 0.849 1
1 100 . 16 1 1 A 15 15 CYS CA C 15 59.571 58.782 0.789 1
1 101 . 16 1 1 A 15 15 CYS CB C 15 29.635 28.671 0.964 1
1 102 . 16 1 1 A 15 15 CYS N N 15 127.942 124.589 3.353 1
1 103 . 16 1 1 A 16 16 ASN HA H 16 4.528 4.714 -0.186 1
1 108 . 16 1 1 A 16 16 ASN C C 16 175.388 176.931 -1.543 1
1 109 . 16 1 1 A 16 16 ASN CA C 16 55.505 54.516 0.989 1
1 110 . 16 1 1 A 16 16 ASN CB C 16 38.303 38.497 -0.194 1
1 112 . 16 1 1 A 17 17 GLU H H 17 8.730 7.442 1.288 1
1 113 . 16 1 1 A 17 17 GLU HA H 17 4.205 4.005 0.200 1
1 118 . 16 1 1 A 17 17 GLU C C 17 177.141 178.328 -1.187 1
1 119 . 16 1 1 A 17 17 GLU CA C 17 58.686 58.983 -0.297 1
1 120 . 16 1 1 A 17 17 GLU CB C 17 29.296 29.768 -0.472 1
1 122 . 16 1 1 A 17 17 GLU N N 17 120.847 119.385 1.462 1
1 123 . 16 1 1 A 18 18 CYS H H 18 7.941 7.962 -0.021 1
1 124 . 16 1 1 A 18 18 CYS HA H 18 5.174 4.678 0.496 1
1 127 . 16 1 1 A 18 18 CYS C C 18 176.186 175.273 0.913 1
1 128 . 16 1 1 A 18 18 CYS CA C 18 58.326 59.736 -1.410 1
1 129 . 16 1 1 A 18 18 CYS CB C 18 32.423 29.674 2.749 1
1 130 . 16 1 1 A 18 18 CYS N N 18 114.765 115.110 -0.345 1
1 131 . 16 1 1 A 19 19 GLY H H 19 8.207 8.103 0.104 1
1 132 . 16 1 1 A 19 19 GLY HA2 H 19 3.735 4.074 -0.339 1
1 133 . 16 1 1 A 19 19 GLY HA3 H 19 4.246 4.082 0.164 1
1 134 . 16 1 1 A 19 19 GLY C C 19 173.563 174.064 -0.501 1
1 135 . 16 1 1 A 19 19 GLY CA C 19 46.287 45.228 1.059 1
1 136 . 16 1 1 A 19 19 GLY N N 19 113.536 109.897 3.639 1
1 137 . 16 1 1 A 20 20 LYS H H 20 7.904 7.826 0.078 1
1 138 . 16 1 1 A 20 20 LYS HA H 20 3.984 4.403 -0.419 1
1 147 . 16 1 1 A 20 20 LYS C C 20 174.306 175.556 -1.250 1
1 148 . 16 1 1 A 20 20 LYS CA C 20 58.283 54.643 3.640 1
1 149 . 16 1 1 A 20 20 LYS CB C 20 33.875 34.158 -0.283 1
1 153 . 16 1 1 A 20 20 LYS N N 20 122.594 119.162 3.432 1
1 154 . 16 1 1 A 21 21 VAL H H 21 7.635 8.463 -0.828 1
1 155 . 16 1 1 A 21 21 VAL HA H 21 4.756 4.695 0.061 1
1 163 . 16 1 1 A 21 21 VAL C C 21 175.180 174.581 0.599 1
1 164 . 16 1 1 A 21 21 VAL CA C 21 60.394 61.037 -0.643 1
1 165 . 16 1 1 A 21 21 VAL CB C 21 33.875 33.278 0.597 1
1 168 . 16 1 1 A 21 21 VAL N N 21 117.274 123.511 -6.237 1
1 169 . 16 1 1 A 22 22 PHE H H 22 8.752 9.056 -0.304 1
1 170 . 16 1 1 A 22 22 PHE HA H 22 4.895 4.944 -0.049 1
1 178 . 16 1 1 A 22 22 PHE C C 22 175.688 175.694 -0.006 1
1 179 . 16 1 1 A 22 22 PHE CA C 22 56.949 56.330 0.619 1
1 180 . 16 1 1 A 22 22 PHE CB C 22 43.525 43.747 -0.222 1
1 186 . 16 1 1 A 22 22 PHE N N 22 121.527 123.475 -1.948 1
1 187 . 16 1 1 A 23 23 THR H H 23 9.516 8.810 0.706 1
1 188 . 16 1 1 A 23 23 THR HA H 23 4.572 4.427 0.145 1
1 193 . 16 1 1 A 23 23 THR C C 23 174.880 173.888 0.992 1
1 194 . 16 1 1 A 23 23 THR CA C 23 63.272 64.489 -1.217 1
1 195 . 16 1 1 A 23 23 THR CB C 23 69.636 69.892 -0.256 1
1 197 . 16 1 1 A 23 23 THR N N 23 111.253 116.459 -5.206 1
1 198 . 16 1 1 A 24 24 GLN H H 24 7.074 7.885 -0.811 1
1 199 . 16 1 1 A 24 24 GLN HA H 24 4.531 4.253 0.278 1
1 206 . 16 1 1 A 24 24 GLN C C 24 175.849 175.784 0.065 1
1 207 . 16 1 1 A 24 24 GLN CA C 24 54.002 54.200 -0.198 1
1 208 . 16 1 1 A 24 24 GLN CB C 24 32.066 31.225 0.841 1
1 210 . 16 1 1 A 24 24 GLN N N 24 115.274 117.890 -2.616 1
1 212 . 16 1 1 A 25 25 ASN HA H 25 3.618 4.194 -0.576 1
1 217 . 16 1 1 A 25 25 ASN CA C 25 56.193 55.900 0.293 1
1 218 . 16 1 1 A 25 25 ASN CB C 25 38.289 37.464 0.825 1
1 219 . 16 1 1 A 25 25 ASN N N 25 119.000 120.530 -1.530 1
1 221 . 16 1 1 A 26 26 SER HA H 26 4.045 3.996 0.049 1
1 224 . 16 1 1 A 26 26 SER C C 26 177.179 177.089 0.090 1
1 225 . 16 1 1 A 26 26 SER CA C 26 60.858 61.725 -0.867 1
1 226 . 16 1 1 A 26 26 SER CB C 26 61.697 62.947 -1.250 1
1 227 . 16 1 1 A 26 26 SER N N 26 116.000 114.507 1.493 1
1 228 . 16 1 1 A 27 27 HIS H H 27 6.761 7.758 -0.997 1
1 229 . 16 1 1 A 27 27 HIS HA H 27 4.413 4.207 0.206 1
1 234 . 16 1 1 A 27 27 HIS C C 27 178.164 177.457 0.707 1
1 235 . 16 1 1 A 27 27 HIS CA C 27 57.067 58.613 -1.546 1
1 236 . 16 1 1 A 27 27 HIS CB C 27 31.815 29.312 2.503 1
1 239 . 16 1 1 A 27 27 HIS N N 27 121.682 118.715 2.967 1
1 240 . 16 1 1 A 28 28 LEU H H 28 6.960 8.180 -1.220 1
1 241 . 16 1 1 A 28 28 LEU HA H 28 3.190 3.372 -0.182 1
1 251 . 16 1 1 A 28 28 LEU C C 28 177.255 178.160 -0.905 1
1 252 . 16 1 1 A 28 28 LEU CA C 28 57.687 57.482 0.205 1
1 253 . 16 1 1 A 28 28 LEU CB C 28 40.420 41.505 -1.085 1
1 257 . 16 1 1 A 28 28 LEU N N 28 122.330 120.762 1.568 1
1 258 . 16 1 1 A 29 29 ALA H H 29 8.293 8.775 -0.482 1
1 259 . 16 1 1 A 29 29 ALA HA H 29 3.936 4.032 -0.096 1
1 263 . 16 1 1 A 29 29 ALA C C 29 180.550 179.603 0.947 1
1 264 . 16 1 1 A 29 29 ALA CA C 29 55.247 55.548 -0.301 1
1 265 . 16 1 1 A 29 29 ALA CB C 29 17.769 18.663 -0.894 1
1 266 . 16 1 1 A 29 29 ALA N N 29 121.027 121.439 -0.412 1
1 267 . 16 1 1 A 30 30 ARG H H 30 7.470 8.248 -0.778 1
1 268 . 16 1 1 A 30 30 ARG HA H 30 3.986 4.077 -0.091 1
1 275 . 16 1 1 A 30 30 ARG C C 30 178.649 178.478 0.171 1
1 276 . 16 1 1 A 30 30 ARG CA C 30 58.817 59.078 -0.261 1
1 277 . 16 1 1 A 30 30 ARG CB C 30 30.266 29.818 0.448 1
1 280 . 16 1 1 A 30 30 ARG N N 30 116.540 116.918 -0.378 1
1 281 . 16 1 1 A 31 31 HIS H H 31 7.639 8.206 -0.567 1
1 282 . 16 1 1 A 31 31 HIS HA H 31 4.238 4.249 -0.011 1
1 287 . 16 1 1 A 31 31 HIS C C 31 176.034 176.539 -0.505 1
1 288 . 16 1 1 A 31 31 HIS CA C 31 58.663 59.942 -1.279 1
1 289 . 16 1 1 A 31 31 HIS CB C 31 28.646 29.620 -0.974 1
1 292 . 16 1 1 A 31 31 HIS N N 31 119.387 120.200 -0.813 1
1 293 . 16 1 1 A 32 32 ARG H H 32 8.158 8.131 0.027 1
1 294 . 16 1 1 A 32 32 ARG HA H 32 3.677 3.933 -0.256 1
1 301 . 16 1 1 A 32 32 ARG C C 32 177.576 179.006 -1.430 1
1 302 . 16 1 1 A 32 32 ARG CA C 32 59.884 59.731 0.153 1
1 303 . 16 1 1 A 32 32 ARG CB C 32 29.827 29.988 -0.161 1
1 306 . 16 1 1 A 32 32 ARG N N 32 115.483 117.399 -1.916 1
1 307 . 16 1 1 A 33 33 ARG H H 33 7.069 7.849 -0.780 1
1 308 . 16 1 1 A 33 33 ARG HA H 33 4.130 4.084 0.046 1
1 315 . 16 1 1 A 33 33 ARG C C 33 178.283 178.642 -0.359 1
1 316 . 16 1 1 A 33 33 ARG CA C 33 58.201 59.218 -1.017 1
1 317 . 16 1 1 A 33 33 ARG CB C 33 29.938 29.802 0.136 1
1 320 . 16 1 1 A 33 33 ARG N N 33 116.839 119.703 -2.864 1
1 321 . 16 1 1 A 34 34 VAL H H 34 7.920 8.079 -0.159 1
1 322 . 16 1 1 A 34 34 VAL HA H 34 3.904 3.774 0.130 1
1 330 . 16 1 1 A 34 34 VAL C C 34 177.122 177.465 -0.343 1
1 331 . 16 1 1 A 34 34 VAL CA C 34 63.913 65.247 -1.334 1
1 332 . 16 1 1 A 34 34 VAL CB C 34 31.126 31.197 -0.071 1
1 335 . 16 1 1 A 34 34 VAL N N 34 116.036 117.320 -1.284 1
1 336 . 16 1 1 A 35 35 HIS H H 35 7.284 7.735 -0.451 1
1 337 . 16 1 1 A 35 35 HIS HA H 35 4.899 4.426 0.473 1
1 342 . 16 1 1 A 35 35 HIS C C 35 175.530 176.362 -0.832 1
1 343 . 16 1 1 A 35 35 HIS CA C 35 54.910 58.789 -3.879 1
1 344 . 16 1 1 A 35 35 HIS CB C 35 28.775 31.037 -2.262 1
1 347 . 16 1 1 A 35 35 HIS N N 35 117.360 119.960 -2.600 1
1 348 . 16 1 1 A 36 36 THR H H 36 7.787 7.457 0.330 1
1 349 . 16 1 1 A 36 36 THR HA H 36 4.408 4.298 0.110 1
1 354 . 16 1 1 A 36 36 THR C C 36 175.489 174.294 1.195 1
1 355 . 16 1 1 A 36 36 THR CA C 36 62.176 61.422 0.754 1
1 356 . 16 1 1 A 36 36 THR CB C 36 69.788 68.367 1.421 1
1 358 . 16 1 1 A 36 36 THR N N 36 111.920 105.584 6.336 1
1 359 . 16 1 1 A 37 37 GLY H H 37 8.364 8.209 0.155 1
1 360 . 16 1 1 A 37 37 GLY HA2 H 37 3.990 4.129 -0.139 1
1 361 . 16 1 1 A 37 37 GLY HA3 H 37 3.990 4.132 -0.142 1
1 362 . 16 1 1 A 37 37 GLY C C 37 174.709 173.872 0.837 1
1 363 . 16 1 1 A 37 37 GLY CA C 37 45.510 45.488 0.022 1
1 364 . 16 1 1 A 37 37 GLY N N 37 111.087 109.016 2.071 1
1 365 . 16 1 1 A 38 38 GLY H H 38 8.279 8.243 0.036 1
1 366 . 16 1 1 A 38 38 GLY HA2 H 38 3.940 4.129 -0.189 1
1 367 . 16 1 1 A 38 38 GLY HA3 H 38 3.940 4.140 -0.200 1
1 368 . 16 1 1 A 38 38 GLY C C 38 173.722 172.399 1.323 1
1 369 . 16 1 1 A 38 38 GLY CA C 38 45.104 45.617 -0.513 1
1 370 . 16 1 1 A 38 38 GLY N N 38 108.489 110.290 -1.801 1
1 371 . 16 1 1 A 39 39 LYS H H 39 8.134 8.427 -0.293 1
1 372 . 16 1 1 A 39 39 LYS HA H 39 4.631 4.254 0.377 1
1 381 . 16 1 1 A 39 39 LYS C C 39 174.669 175.035 -0.366 1
1 382 . 16 1 1 A 39 39 LYS CA C 39 54.141 54.892 -0.751 1
1 383 . 16 1 1 A 39 39 LYS CB C 39 32.551 33.123 -0.572 1
1 387 . 16 1 1 A 39 39 LYS N N 39 121.858 122.834 -0.976 1
1 388 . 16 1 1 A 40 40 PRO HA H 40 4.469 4.624 -0.155 1
1 395 . 16 1 1 A 40 40 PRO CA C 40 63.236 62.227 1.009 1
1 396 . 16 1 1 A 40 40 PRO CB C 40 32.213 32.738 -0.525 1
1 399 . 16 1 1 A 42 42 GLY HA2 H 42 4.162 4.413 -0.251 1
1 400 . 16 1 1 A 42 42 GLY HA3 H 42 4.111 4.414 -0.303 1
1 401 . 16 1 1 A 42 42 GLY CA C 42 44.661 45.739 -1.078 1
1 402 . 16 1 1 A 43 43 PRO HA H 43 4.476 4.713 -0.237 1
1 409 . 16 1 1 A 43 43 PRO CA C 43 63.406 62.831 0.575 1
1 410 . 16 1 1 A 43 43 PRO CB C 43 32.308 33.606 -1.298 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 4.033 4.124 -0.091 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.033 4.125 -0.092 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.556 173.458 1.098 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.402 45.452 -0.050 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.151 7.799 0.352 1
1 6 . 17 1 1 A 8 8 THR HA H 8 4.379 4.873 -0.494 1
1 11 . 17 1 1 A 8 8 THR C C 8 175.289 173.081 2.208 1
1 12 . 17 1 1 A 8 8 THR CA C 8 61.888 60.287 1.601 1
1 13 . 17 1 1 A 8 8 THR CB C 8 69.800 70.914 -1.114 1
1 15 . 17 1 1 A 8 8 THR N N 8 112.871 113.185 -0.314 1
1 16 . 17 1 1 A 9 9 GLY H H 9 8.447 8.536 -0.089 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 3.947 4.159 -0.212 1
1 18 . 17 1 1 A 9 9 GLY HA3 H 9 3.947 4.159 -0.212 1
1 19 . 17 1 1 A 9 9 GLY C C 9 174.028 172.356 1.672 1
1 20 . 17 1 1 A 9 9 GLY CA C 9 45.270 45.420 -0.150 1
1 21 . 17 1 1 A 9 9 GLY N N 9 111.093 111.848 -0.755 1
1 22 . 17 1 1 A 10 10 GLU H H 10 8.230 9.044 -0.814 1
1 23 . 17 1 1 A 10 10 GLU HA H 10 4.251 4.985 -0.734 1
1 28 . 17 1 1 A 10 10 GLU C C 10 176.261 175.907 0.354 1
1 29 . 17 1 1 A 10 10 GLU CA C 10 56.565 54.375 2.190 1
1 30 . 17 1 1 A 10 10 GLU CB C 10 30.519 34.070 -3.551 1
1 32 . 17 1 1 A 10 10 GLU N N 10 120.586 124.923 -4.337 1
1 33 . 17 1 1 A 11 11 LYS H H 11 8.317 8.615 -0.298 1
1 34 . 17 1 1 A 11 11 LYS HA H 11 4.540 4.485 0.055 1
1 43 . 17 1 1 A 11 11 LYS C C 11 174.000 176.643 -2.643 1
1 44 . 17 1 1 A 11 11 LYS CA C 11 53.865 54.964 -1.099 1
1 45 . 17 1 1 A 11 11 LYS CB C 11 32.626 31.867 0.759 1
1 49 . 17 1 1 A 11 11 LYS N N 11 122.992 120.691 2.301 1
1 50 . 17 1 1 A 12 12 PRO HA H 12 4.331 4.453 -0.122 1
1 57 . 17 1 1 A 12 12 PRO C C 12 176.455 175.738 0.717 1
1 58 . 17 1 1 A 12 12 PRO CA C 12 62.991 64.397 -1.406 1
1 59 . 17 1 1 A 12 12 PRO CB C 12 32.285 31.467 0.818 1
1 62 . 17 1 1 A 13 13 TYR H H 13 8.131 7.978 0.153 1
1 63 . 17 1 1 A 13 13 TYR HA H 13 4.607 4.865 -0.258 1
1 70 . 17 1 1 A 13 13 TYR C C 13 174.080 174.698 -0.618 1
1 71 . 17 1 1 A 13 13 TYR CA C 13 57.300 57.053 0.247 1
1 72 . 17 1 1 A 13 13 TYR CB C 13 38.140 38.644 -0.504 1
1 77 . 17 1 1 A 13 13 TYR N N 13 119.838 118.599 1.239 1
1 78 . 17 1 1 A 14 14 LYS H H 14 8.387 8.952 -0.565 1
1 79 . 17 1 1 A 14 14 LYS HA H 14 5.090 5.354 -0.264 1
1 88 . 17 1 1 A 14 14 LYS C C 14 175.193 174.408 0.785 1
1 89 . 17 1 1 A 14 14 LYS CA C 14 54.801 54.538 0.263 1
1 90 . 17 1 1 A 14 14 LYS CB C 14 36.002 36.156 -0.154 1
1 94 . 17 1 1 A 14 14 LYS N N 14 124.729 125.417 -0.688 1
1 95 . 17 1 1 A 15 15 CYS H H 15 9.365 9.054 0.311 1
1 96 . 17 1 1 A 15 15 CYS HA H 15 4.546 4.871 -0.325 1
1 99 . 17 1 1 A 15 15 CYS C C 15 176.812 176.116 0.696 1
1 100 . 17 1 1 A 15 15 CYS CA C 15 59.571 58.113 1.458 1
1 101 . 17 1 1 A 15 15 CYS CB C 15 29.635 30.172 -0.537 1
1 102 . 17 1 1 A 15 15 CYS N N 15 127.942 124.394 3.548 1
1 103 . 17 1 1 A 16 16 ASN HA H 16 4.528 4.913 -0.385 1
1 108 . 17 1 1 A 16 16 ASN C C 16 175.388 175.588 -0.200 1
1 109 . 17 1 1 A 16 16 ASN CA C 16 55.505 53.627 1.878 1
1 110 . 17 1 1 A 16 16 ASN CB C 16 38.303 38.561 -0.258 1
1 112 . 17 1 1 A 17 17 GLU H H 17 8.730 8.053 0.677 1
1 113 . 17 1 1 A 17 17 GLU HA H 17 4.205 4.268 -0.063 1
1 118 . 17 1 1 A 17 17 GLU C C 17 177.141 178.041 -0.900 1
1 119 . 17 1 1 A 17 17 GLU CA C 17 58.686 57.432 1.254 1
1 120 . 17 1 1 A 17 17 GLU CB C 17 29.296 30.473 -1.177 1
1 122 . 17 1 1 A 17 17 GLU N N 17 120.847 117.978 2.869 1
1 123 . 17 1 1 A 18 18 CYS H H 18 7.941 8.164 -0.223 1
1 124 . 17 1 1 A 18 18 CYS HA H 18 5.174 4.742 0.432 1
1 127 . 17 1 1 A 18 18 CYS C C 18 176.186 175.511 0.675 1
1 128 . 17 1 1 A 18 18 CYS CA C 18 58.326 59.854 -1.528 1
1 129 . 17 1 1 A 18 18 CYS CB C 18 32.423 29.945 2.478 1
1 130 . 17 1 1 A 18 18 CYS N N 18 114.765 114.737 0.028 1
1 131 . 17 1 1 A 19 19 GLY H H 19 8.207 8.189 0.018 1
1 132 . 17 1 1 A 19 19 GLY HA2 H 19 3.735 4.089 -0.354 1
1 133 . 17 1 1 A 19 19 GLY HA3 H 19 4.246 4.102 0.144 1
1 134 . 17 1 1 A 19 19 GLY C C 19 173.563 174.208 -0.645 1
1 135 . 17 1 1 A 19 19 GLY CA C 19 46.287 45.599 0.688 1
1 136 . 17 1 1 A 19 19 GLY N N 19 113.536 109.909 3.627 1
1 137 . 17 1 1 A 20 20 LYS H H 20 7.904 7.939 -0.035 1
1 138 . 17 1 1 A 20 20 LYS HA H 20 3.984 4.642 -0.658 1
1 147 . 17 1 1 A 20 20 LYS C C 20 174.306 175.138 -0.832 1
1 148 . 17 1 1 A 20 20 LYS CA C 20 58.283 54.326 3.957 1
1 149 . 17 1 1 A 20 20 LYS CB C 20 33.875 34.965 -1.090 1
1 153 . 17 1 1 A 20 20 LYS N N 20 122.594 119.069 3.525 1
1 154 . 17 1 1 A 21 21 VAL H H 21 7.635 8.599 -0.964 1
1 155 . 17 1 1 A 21 21 VAL HA H 21 4.756 5.128 -0.372 1
1 163 . 17 1 1 A 21 21 VAL C C 21 175.180 174.589 0.591 1
1 164 . 17 1 1 A 21 21 VAL CA C 21 60.394 61.213 -0.819 1
1 165 . 17 1 1 A 21 21 VAL CB C 21 33.875 33.542 0.333 1
1 168 . 17 1 1 A 21 21 VAL N N 21 117.274 123.648 -6.374 1
1 169 . 17 1 1 A 22 22 PHE H H 22 8.752 9.100 -0.348 1
1 170 . 17 1 1 A 22 22 PHE HA H 22 4.895 4.965 -0.070 1
1 178 . 17 1 1 A 22 22 PHE C C 22 175.688 175.456 0.232 1
1 179 . 17 1 1 A 22 22 PHE CA C 22 56.949 56.405 0.544 1
1 180 . 17 1 1 A 22 22 PHE CB C 22 43.525 43.469 0.056 1
1 186 . 17 1 1 A 22 22 PHE N N 22 121.527 123.340 -1.813 1
1 187 . 17 1 1 A 23 23 THR H H 23 9.516 8.817 0.699 1
1 188 . 17 1 1 A 23 23 THR HA H 23 4.572 4.325 0.247 1
1 193 . 17 1 1 A 23 23 THR C C 23 174.880 173.469 1.411 1
1 194 . 17 1 1 A 23 23 THR CA C 23 63.272 64.274 -1.002 1
1 195 . 17 1 1 A 23 23 THR CB C 23 69.636 70.001 -0.365 1
1 197 . 17 1 1 A 23 23 THR N N 23 111.253 116.146 -4.893 1
1 198 . 17 1 1 A 24 24 GLN H H 24 7.074 7.706 -0.632 1
1 199 . 17 1 1 A 24 24 GLN HA H 24 4.531 3.952 0.579 1
1 206 . 17 1 1 A 24 24 GLN C C 24 175.849 175.945 -0.096 1
1 207 . 17 1 1 A 24 24 GLN CA C 24 54.002 53.834 0.168 1
1 208 . 17 1 1 A 24 24 GLN CB C 24 32.066 31.194 0.872 1
1 210 . 17 1 1 A 24 24 GLN N N 24 115.274 117.552 -2.278 1
1 212 . 17 1 1 A 25 25 ASN HA H 25 3.618 4.636 -1.018 1
1 217 . 17 1 1 A 25 25 ASN CA C 25 56.193 56.199 -0.006 1
1 218 . 17 1 1 A 25 25 ASN CB C 25 38.289 37.793 0.496 1
1 219 . 17 1 1 A 25 25 ASN N N 25 119.000 120.688 -1.688 1
1 221 . 17 1 1 A 26 26 SER HA H 26 4.045 4.040 0.005 1
1 224 . 17 1 1 A 26 26 SER C C 26 177.179 176.663 0.516 1
1 225 . 17 1 1 A 26 26 SER CA C 26 60.858 62.289 -1.431 1
1 226 . 17 1 1 A 26 26 SER CB C 26 61.697 62.426 -0.729 1
1 227 . 17 1 1 A 26 26 SER N N 26 116.000 115.734 0.266 1
1 228 . 17 1 1 A 27 27 HIS H H 27 6.761 7.850 -1.089 1
1 229 . 17 1 1 A 27 27 HIS HA H 27 4.413 4.226 0.187 1
1 234 . 17 1 1 A 27 27 HIS C C 27 178.164 177.172 0.992 1
1 235 . 17 1 1 A 27 27 HIS CA C 27 57.067 58.730 -1.663 1
1 236 . 17 1 1 A 27 27 HIS CB C 27 31.815 30.003 1.812 1
1 239 . 17 1 1 A 27 27 HIS N N 27 121.682 119.362 2.320 1
1 240 . 17 1 1 A 28 28 LEU H H 28 6.960 7.666 -0.706 1
1 241 . 17 1 1 A 28 28 LEU HA H 28 3.190 2.696 0.494 1
1 251 . 17 1 1 A 28 28 LEU C C 28 177.255 177.942 -0.687 1
1 252 . 17 1 1 A 28 28 LEU CA C 28 57.687 57.524 0.163 1
1 253 . 17 1 1 A 28 28 LEU CB C 28 40.420 41.385 -0.965 1
1 257 . 17 1 1 A 28 28 LEU N N 28 122.330 120.231 2.099 1
1 258 . 17 1 1 A 29 29 ALA H H 29 8.293 8.775 -0.482 1
1 259 . 17 1 1 A 29 29 ALA HA H 29 3.936 4.034 -0.098 1
1 263 . 17 1 1 A 29 29 ALA C C 29 180.550 179.930 0.620 1
1 264 . 17 1 1 A 29 29 ALA CA C 29 55.247 55.823 -0.576 1
1 265 . 17 1 1 A 29 29 ALA CB C 29 17.769 18.234 -0.465 1
1 266 . 17 1 1 A 29 29 ALA N N 29 121.027 121.239 -0.212 1
1 267 . 17 1 1 A 30 30 ARG H H 30 7.470 8.391 -0.921 1
1 268 . 17 1 1 A 30 30 ARG HA H 30 3.986 4.059 -0.073 1
1 275 . 17 1 1 A 30 30 ARG C C 30 178.649 179.118 -0.469 1
1 276 . 17 1 1 A 30 30 ARG CA C 30 58.817 59.745 -0.928 1
1 277 . 17 1 1 A 30 30 ARG CB C 30 30.266 29.671 0.595 1
1 280 . 17 1 1 A 30 30 ARG N N 30 116.540 117.176 -0.636 1
1 281 . 17 1 1 A 31 31 HIS H H 31 7.639 8.123 -0.484 1
1 282 . 17 1 1 A 31 31 HIS HA H 31 4.238 4.244 -0.006 1
1 287 . 17 1 1 A 31 31 HIS C C 31 176.034 177.047 -1.013 1
1 288 . 17 1 1 A 31 31 HIS CA C 31 58.663 60.030 -1.367 1
1 289 . 17 1 1 A 31 31 HIS CB C 31 28.646 29.486 -0.840 1
1 292 . 17 1 1 A 31 31 HIS N N 31 119.387 120.009 -0.622 1
1 293 . 17 1 1 A 32 32 ARG H H 32 8.158 8.070 0.088 1
1 294 . 17 1 1 A 32 32 ARG HA H 32 3.677 3.841 -0.164 1
1 301 . 17 1 1 A 32 32 ARG C C 32 177.576 178.867 -1.291 1
1 302 . 17 1 1 A 32 32 ARG CA C 32 59.884 59.377 0.507 1
1 303 . 17 1 1 A 32 32 ARG CB C 32 29.827 29.951 -0.124 1
1 306 . 17 1 1 A 32 32 ARG N N 32 115.483 117.625 -2.142 1
1 307 . 17 1 1 A 33 33 ARG H H 33 7.069 7.866 -0.797 1
1 308 . 17 1 1 A 33 33 ARG HA H 33 4.130 3.997 0.133 1
1 315 . 17 1 1 A 33 33 ARG C C 33 178.283 178.758 -0.475 1
1 316 . 17 1 1 A 33 33 ARG CA C 33 58.201 59.121 -0.920 1
1 317 . 17 1 1 A 33 33 ARG CB C 33 29.938 29.825 0.113 1
1 320 . 17 1 1 A 33 33 ARG N N 33 116.839 119.624 -2.785 1
1 321 . 17 1 1 A 34 34 VAL H H 34 7.920 7.901 0.019 1
1 322 . 17 1 1 A 34 34 VAL HA H 34 3.904 3.811 0.093 1
1 330 . 17 1 1 A 34 34 VAL C C 34 177.122 176.445 0.677 1
1 331 . 17 1 1 A 34 34 VAL CA C 34 63.913 64.950 -1.037 1
1 332 . 17 1 1 A 34 34 VAL CB C 34 31.126 31.140 -0.014 1
1 335 . 17 1 1 A 34 34 VAL N N 34 116.036 117.154 -1.118 1
1 336 . 17 1 1 A 35 35 HIS H H 35 7.284 7.819 -0.535 1
1 337 . 17 1 1 A 35 35 HIS HA H 35 4.899 4.746 0.153 1
1 342 . 17 1 1 A 35 35 HIS C C 35 175.530 175.031 0.499 1
1 343 . 17 1 1 A 35 35 HIS CA C 35 54.910 54.410 0.500 1
1 344 . 17 1 1 A 35 35 HIS CB C 35 28.775 27.544 1.231 1
1 347 . 17 1 1 A 35 35 HIS N N 35 117.360 120.289 -2.929 1
1 348 . 17 1 1 A 36 36 THR H H 36 7.787 8.415 -0.628 1
1 349 . 17 1 1 A 36 36 THR HA H 36 4.408 4.509 -0.101 1
1 354 . 17 1 1 A 36 36 THR C C 36 175.489 175.521 -0.032 1
1 355 . 17 1 1 A 36 36 THR CA C 36 62.176 62.231 -0.055 1
1 356 . 17 1 1 A 36 36 THR CB C 36 69.788 70.377 -0.589 1
1 358 . 17 1 1 A 36 36 THR N N 36 111.920 112.450 -0.530 1
1 359 . 17 1 1 A 37 37 GLY H H 37 8.364 7.689 0.675 1
1 360 . 17 1 1 A 37 37 GLY HA2 H 37 3.990 4.164 -0.174 1
1 361 . 17 1 1 A 37 37 GLY HA3 H 37 3.990 4.169 -0.179 1
1 362 . 17 1 1 A 37 37 GLY C C 37 174.709 176.062 -1.353 1
1 363 . 17 1 1 A 37 37 GLY CA C 37 45.510 45.667 -0.157 1
1 364 . 17 1 1 A 37 37 GLY N N 37 111.087 107.967 3.120 1
1 365 . 17 1 1 A 38 38 GLY H H 38 8.279 8.423 -0.144 1
1 366 . 17 1 1 A 38 38 GLY HA2 H 38 3.940 3.834 0.106 1
1 367 . 17 1 1 A 38 38 GLY HA3 H 38 3.940 3.842 0.098 1
1 368 . 17 1 1 A 38 38 GLY C C 38 173.722 175.079 -1.357 1
1 369 . 17 1 1 A 38 38 GLY CA C 38 45.104 47.540 -2.436 1
1 370 . 17 1 1 A 38 38 GLY N N 38 108.489 108.773 -0.284 1
1 371 . 17 1 1 A 39 39 LYS H H 39 8.134 7.796 0.338 1
1 372 . 17 1 1 A 39 39 LYS HA H 39 4.631 4.521 0.110 1
1 381 . 17 1 1 A 39 39 LYS C C 39 174.669 175.180 -0.511 1
1 382 . 17 1 1 A 39 39 LYS CA C 39 54.141 53.290 0.851 1
1 383 . 17 1 1 A 39 39 LYS CB C 39 32.551 32.596 -0.045 1
1 387 . 17 1 1 A 39 39 LYS N N 39 121.858 119.236 2.622 1
1 388 . 17 1 1 A 40 40 PRO HA H 40 4.469 4.741 -0.272 1
1 395 . 17 1 1 A 40 40 PRO CA C 40 63.236 62.390 0.846 1
1 396 . 17 1 1 A 40 40 PRO CB C 40 32.213 29.566 2.647 1
1 399 . 17 1 1 A 42 42 GLY HA2 H 42 4.162 4.147 0.015 1
1 400 . 17 1 1 A 42 42 GLY HA3 H 42 4.111 4.147 -0.036 1
1 401 . 17 1 1 A 42 42 GLY CA C 42 44.661 44.974 -0.313 1
1 402 . 17 1 1 A 43 43 PRO HA H 43 4.476 4.364 0.112 1
1 409 . 17 1 1 A 43 43 PRO CA C 43 63.406 64.464 -1.058 1
1 410 . 17 1 1 A 43 43 PRO CB C 43 32.308 31.898 0.410 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 4.033 3.897 0.136 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.033 3.899 0.134 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.556 173.747 0.809 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.402 46.984 -1.582 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.151 7.862 0.289 1
1 6 . 18 1 1 A 8 8 THR HA H 8 4.379 5.093 -0.714 1
1 11 . 18 1 1 A 8 8 THR C C 8 175.289 173.619 1.670 1
1 12 . 18 1 1 A 8 8 THR CA C 8 61.888 59.614 2.274 1
1 13 . 18 1 1 A 8 8 THR CB C 8 69.800 71.324 -1.524 1
1 15 . 18 1 1 A 8 8 THR N N 8 112.871 112.556 0.315 1
1 16 . 18 1 1 A 9 9 GLY H H 9 8.447 8.618 -0.171 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 3.947 4.191 -0.244 1
1 18 . 18 1 1 A 9 9 GLY HA3 H 9 3.947 4.192 -0.245 1
1 19 . 18 1 1 A 9 9 GLY C C 9 174.028 172.756 1.272 1
1 20 . 18 1 1 A 9 9 GLY CA C 9 45.270 44.664 0.606 1
1 21 . 18 1 1 A 9 9 GLY N N 9 111.093 109.910 1.183 1
1 22 . 18 1 1 A 10 10 GLU H H 10 8.230 8.609 -0.379 1
1 23 . 18 1 1 A 10 10 GLU HA H 10 4.251 4.550 -0.299 1
1 28 . 18 1 1 A 10 10 GLU C C 10 176.261 175.439 0.822 1
1 29 . 18 1 1 A 10 10 GLU CA C 10 56.565 55.112 1.453 1
1 30 . 18 1 1 A 10 10 GLU CB C 10 30.519 29.306 1.213 1
1 32 . 18 1 1 A 10 10 GLU N N 10 120.586 124.485 -3.899 1
1 33 . 18 1 1 A 11 11 LYS H H 11 8.317 8.065 0.252 1
1 34 . 18 1 1 A 11 11 LYS HA H 11 4.540 4.325 0.215 1
1 43 . 18 1 1 A 11 11 LYS C C 11 174.000 176.580 -2.580 1
1 44 . 18 1 1 A 11 11 LYS CA C 11 53.865 55.140 -1.275 1
1 45 . 18 1 1 A 11 11 LYS CB C 11 32.626 31.828 0.798 1
1 49 . 18 1 1 A 11 11 LYS N N 11 122.992 126.611 -3.619 1
1 50 . 18 1 1 A 12 12 PRO HA H 12 4.331 4.354 -0.023 1
1 57 . 18 1 1 A 12 12 PRO C C 12 176.455 175.568 0.887 1
1 58 . 18 1 1 A 12 12 PRO CA C 12 62.991 64.287 -1.296 1
1 59 . 18 1 1 A 12 12 PRO CB C 12 32.285 31.307 0.978 1
1 62 . 18 1 1 A 13 13 TYR H H 13 8.131 7.522 0.609 1
1 63 . 18 1 1 A 13 13 TYR HA H 13 4.607 4.996 -0.389 1
1 70 . 18 1 1 A 13 13 TYR C C 13 174.080 174.339 -0.259 1
1 71 . 18 1 1 A 13 13 TYR CA C 13 57.300 56.923 0.377 1
1 72 . 18 1 1 A 13 13 TYR CB C 13 38.140 39.447 -1.307 1
1 77 . 18 1 1 A 13 13 TYR N N 13 119.838 119.022 0.816 1
1 78 . 18 1 1 A 14 14 LYS H H 14 8.387 9.024 -0.637 1
1 79 . 18 1 1 A 14 14 LYS HA H 14 5.090 5.264 -0.174 1
1 88 . 18 1 1 A 14 14 LYS C C 14 175.193 174.454 0.739 1
1 89 . 18 1 1 A 14 14 LYS CA C 14 54.801 54.555 0.246 1
1 90 . 18 1 1 A 14 14 LYS CB C 14 36.002 36.137 -0.135 1
1 94 . 18 1 1 A 14 14 LYS N N 14 124.729 124.660 0.069 1
1 95 . 18 1 1 A 15 15 CYS H H 15 9.365 9.285 0.080 1
1 96 . 18 1 1 A 15 15 CYS HA H 15 4.546 4.854 -0.308 1
1 99 . 18 1 1 A 15 15 CYS C C 15 176.812 176.012 0.800 1
1 100 . 18 1 1 A 15 15 CYS CA C 15 59.571 58.169 1.402 1
1 101 . 18 1 1 A 15 15 CYS CB C 15 29.635 29.976 -0.341 1
1 102 . 18 1 1 A 15 15 CYS N N 15 127.942 124.544 3.398 1
1 103 . 18 1 1 A 16 16 ASN HA H 16 4.528 4.927 -0.399 1
1 108 . 18 1 1 A 16 16 ASN C C 16 175.388 175.639 -0.251 1
1 109 . 18 1 1 A 16 16 ASN CA C 16 55.505 53.563 1.942 1
1 110 . 18 1 1 A 16 16 ASN CB C 16 38.303 38.461 -0.158 1
1 112 . 18 1 1 A 17 17 GLU H H 17 8.730 7.616 1.114 1
1 113 . 18 1 1 A 17 17 GLU HA H 17 4.205 4.221 -0.016 1
1 118 . 18 1 1 A 17 17 GLU C C 17 177.141 177.919 -0.778 1
1 119 . 18 1 1 A 17 17 GLU CA C 17 58.686 57.418 1.268 1
1 120 . 18 1 1 A 17 17 GLU CB C 17 29.296 30.392 -1.096 1
1 122 . 18 1 1 A 17 17 GLU N N 17 120.847 118.205 2.642 1
1 123 . 18 1 1 A 18 18 CYS H H 18 7.941 8.061 -0.120 1
1 124 . 18 1 1 A 18 18 CYS HA H 18 5.174 4.690 0.484 1
1 127 . 18 1 1 A 18 18 CYS C C 18 176.186 175.458 0.728 1
1 128 . 18 1 1 A 18 18 CYS CA C 18 58.326 59.659 -1.333 1
1 129 . 18 1 1 A 18 18 CYS CB C 18 32.423 29.955 2.468 1
1 130 . 18 1 1 A 18 18 CYS N N 18 114.765 114.579 0.186 1
1 131 . 18 1 1 A 19 19 GLY H H 19 8.207 8.012 0.195 1
1 132 . 18 1 1 A 19 19 GLY HA2 H 19 3.735 4.088 -0.353 1
1 133 . 18 1 1 A 19 19 GLY HA3 H 19 4.246 4.099 0.147 1
1 134 . 18 1 1 A 19 19 GLY C C 19 173.563 174.066 -0.503 1
1 135 . 18 1 1 A 19 19 GLY CA C 19 46.287 45.221 1.066 1
1 136 . 18 1 1 A 19 19 GLY N N 19 113.536 109.901 3.635 1
1 137 . 18 1 1 A 20 20 LYS H H 20 7.904 7.891 0.013 1
1 138 . 18 1 1 A 20 20 LYS HA H 20 3.984 4.516 -0.532 1
1 147 . 18 1 1 A 20 20 LYS C C 20 174.306 175.298 -0.992 1
1 148 . 18 1 1 A 20 20 LYS CA C 20 58.283 54.618 3.665 1
1 149 . 18 1 1 A 20 20 LYS CB C 20 33.875 33.952 -0.077 1
1 153 . 18 1 1 A 20 20 LYS N N 20 122.594 119.326 3.268 1
1 154 . 18 1 1 A 21 21 VAL H H 21 7.635 8.391 -0.756 1
1 155 . 18 1 1 A 21 21 VAL HA H 21 4.756 5.054 -0.298 1
1 163 . 18 1 1 A 21 21 VAL C C 21 175.180 174.586 0.594 1
1 164 . 18 1 1 A 21 21 VAL CA C 21 60.394 61.092 -0.698 1
1 165 . 18 1 1 A 21 21 VAL CB C 21 33.875 33.697 0.178 1
1 168 . 18 1 1 A 21 21 VAL N N 21 117.274 123.215 -5.941 1
1 169 . 18 1 1 A 22 22 PHE H H 22 8.752 9.094 -0.342 1
1 170 . 18 1 1 A 22 22 PHE HA H 22 4.895 4.900 -0.005 1
1 178 . 18 1 1 A 22 22 PHE C C 22 175.688 175.790 -0.102 1
1 179 . 18 1 1 A 22 22 PHE CA C 22 56.949 56.962 -0.013 1
1 180 . 18 1 1 A 22 22 PHE CB C 22 43.525 43.656 -0.131 1
1 186 . 18 1 1 A 22 22 PHE N N 22 121.527 124.171 -2.644 1
1 187 . 18 1 1 A 23 23 THR H H 23 9.516 8.812 0.704 1
1 188 . 18 1 1 A 23 23 THR HA H 23 4.572 4.361 0.211 1
1 193 . 18 1 1 A 23 23 THR C C 23 174.880 173.961 0.919 1
1 194 . 18 1 1 A 23 23 THR CA C 23 63.272 64.477 -1.205 1
1 195 . 18 1 1 A 23 23 THR CB C 23 69.636 69.798 -0.162 1
1 197 . 18 1 1 A 23 23 THR N N 23 111.253 116.690 -5.437 1
1 198 . 18 1 1 A 24 24 GLN H H 24 7.074 7.591 -0.517 1
1 199 . 18 1 1 A 24 24 GLN HA H 24 4.531 4.241 0.290 1
1 206 . 18 1 1 A 24 24 GLN C C 24 175.849 175.218 0.631 1
1 207 . 18 1 1 A 24 24 GLN CA C 24 54.002 53.724 0.278 1
1 208 . 18 1 1 A 24 24 GLN CB C 24 32.066 31.208 0.858 1
1 210 . 18 1 1 A 24 24 GLN N N 24 115.274 117.484 -2.210 1
1 212 . 18 1 1 A 25 25 ASN HA H 25 3.618 3.871 -0.253 1
1 217 . 18 1 1 A 25 25 ASN CA C 25 56.193 55.556 0.637 1
1 218 . 18 1 1 A 25 25 ASN CB C 25 38.289 38.545 -0.256 1
1 219 . 18 1 1 A 25 25 ASN N N 25 119.000 121.205 -2.205 1
1 221 . 18 1 1 A 26 26 SER HA H 26 4.045 4.019 0.026 1
1 224 . 18 1 1 A 26 26 SER C C 26 177.179 176.669 0.510 1
1 225 . 18 1 1 A 26 26 SER CA C 26 60.858 62.302 -1.444 1
1 226 . 18 1 1 A 26 26 SER CB C 26 61.697 62.416 -0.719 1
1 227 . 18 1 1 A 26 26 SER N N 26 116.000 115.839 0.161 1
1 228 . 18 1 1 A 27 27 HIS H H 27 6.761 7.613 -0.852 1
1 229 . 18 1 1 A 27 27 HIS HA H 27 4.413 4.227 0.186 1
1 234 . 18 1 1 A 27 27 HIS C C 27 178.164 177.445 0.719 1
1 235 . 18 1 1 A 27 27 HIS CA C 27 57.067 58.584 -1.517 1
1 236 . 18 1 1 A 27 27 HIS CB C 27 31.815 29.864 1.951 1
1 239 . 18 1 1 A 27 27 HIS N N 27 121.682 119.509 2.173 1
1 240 . 18 1 1 A 28 28 LEU H H 28 6.960 7.851 -0.891 1
1 241 . 18 1 1 A 28 28 LEU HA H 28 3.190 3.013 0.177 1
1 251 . 18 1 1 A 28 28 LEU C C 28 177.255 178.318 -1.063 1
1 252 . 18 1 1 A 28 28 LEU CA C 28 57.687 57.362 0.325 1
1 253 . 18 1 1 A 28 28 LEU CB C 28 40.420 41.119 -0.699 1
1 257 . 18 1 1 A 28 28 LEU N N 28 122.330 120.465 1.865 1
1 258 . 18 1 1 A 29 29 ALA H H 29 8.293 8.583 -0.290 1
1 259 . 18 1 1 A 29 29 ALA HA H 29 3.936 3.976 -0.040 1
1 263 . 18 1 1 A 29 29 ALA C C 29 180.550 179.630 0.920 1
1 264 . 18 1 1 A 29 29 ALA CA C 29 55.247 55.346 -0.099 1
1 265 . 18 1 1 A 29 29 ALA CB C 29 17.769 18.091 -0.322 1
1 266 . 18 1 1 A 29 29 ALA N N 29 121.027 120.684 0.343 1
1 267 . 18 1 1 A 30 30 ARG H H 30 7.470 8.380 -0.910 1
1 268 . 18 1 1 A 30 30 ARG HA H 30 3.986 4.158 -0.172 1
1 275 . 18 1 1 A 30 30 ARG C C 30 178.649 178.156 0.493 1
1 276 . 18 1 1 A 30 30 ARG CA C 30 58.817 57.890 0.927 1
1 277 . 18 1 1 A 30 30 ARG CB C 30 30.266 28.858 1.408 1
1 280 . 18 1 1 A 30 30 ARG N N 30 116.540 116.737 -0.197 1
1 281 . 18 1 1 A 31 31 HIS H H 31 7.639 7.688 -0.049 1
1 282 . 18 1 1 A 31 31 HIS HA H 31 4.238 4.174 0.064 1
1 287 . 18 1 1 A 31 31 HIS C C 31 176.034 177.091 -1.057 1
1 288 . 18 1 1 A 31 31 HIS CA C 31 58.663 59.085 -0.422 1
1 289 . 18 1 1 A 31 31 HIS CB C 31 28.646 29.774 -1.128 1
1 292 . 18 1 1 A 31 31 HIS N N 31 119.387 120.214 -0.827 1
1 293 . 18 1 1 A 32 32 ARG H H 32 8.158 8.530 -0.372 1
1 294 . 18 1 1 A 32 32 ARG HA H 32 3.677 3.916 -0.239 1
1 301 . 18 1 1 A 32 32 ARG C C 32 177.576 178.290 -0.714 1
1 302 . 18 1 1 A 32 32 ARG CA C 32 59.884 59.844 0.040 1
1 303 . 18 1 1 A 32 32 ARG CB C 32 29.827 29.884 -0.057 1
1 306 . 18 1 1 A 32 32 ARG N N 32 115.483 117.917 -2.434 1
1 307 . 18 1 1 A 33 33 ARG H H 33 7.069 7.667 -0.598 1
1 308 . 18 1 1 A 33 33 ARG HA H 33 4.130 4.074 0.056 1
1 315 . 18 1 1 A 33 33 ARG C C 33 178.283 177.764 0.519 1
1 316 . 18 1 1 A 33 33 ARG CA C 33 58.201 58.552 -0.351 1
1 317 . 18 1 1 A 33 33 ARG CB C 33 29.938 29.986 -0.048 1
1 320 . 18 1 1 A 33 33 ARG N N 33 116.839 118.029 -1.190 1
1 321 . 18 1 1 A 34 34 VAL H H 34 7.920 8.005 -0.085 1
1 322 . 18 1 1 A 34 34 VAL HA H 34 3.904 3.717 0.187 1
1 330 . 18 1 1 A 34 34 VAL C C 34 177.122 176.517 0.605 1
1 331 . 18 1 1 A 34 34 VAL CA C 34 63.913 65.451 -1.538 1
1 332 . 18 1 1 A 34 34 VAL CB C 34 31.126 30.991 0.135 1
1 335 . 18 1 1 A 34 34 VAL N N 34 116.036 115.362 0.674 1
1 336 . 18 1 1 A 35 35 HIS H H 35 7.284 8.143 -0.859 1
1 337 . 18 1 1 A 35 35 HIS HA H 35 4.899 4.601 0.298 1
1 342 . 18 1 1 A 35 35 HIS C C 35 175.530 173.661 1.869 1
1 343 . 18 1 1 A 35 35 HIS CA C 35 54.910 54.590 0.320 1
1 344 . 18 1 1 A 35 35 HIS CB C 35 28.775 27.512 1.263 1
1 347 . 18 1 1 A 35 35 HIS N N 35 117.360 119.387 -2.027 1
1 348 . 18 1 1 A 36 36 THR H H 36 7.787 7.866 -0.079 1
1 349 . 18 1 1 A 36 36 THR HA H 36 4.408 4.839 -0.431 1
1 354 . 18 1 1 A 36 36 THR C C 36 175.489 174.635 0.854 1
1 355 . 18 1 1 A 36 36 THR CA C 36 62.176 60.049 2.127 1
1 356 . 18 1 1 A 36 36 THR CB C 36 69.788 71.225 -1.437 1
1 358 . 18 1 1 A 36 36 THR N N 36 111.920 112.135 -0.215 1
1 359 . 18 1 1 A 37 37 GLY H H 37 8.364 8.877 -0.513 1
1 360 . 18 1 1 A 37 37 GLY HA2 H 37 3.990 3.978 0.012 1
1 361 . 18 1 1 A 37 37 GLY HA3 H 37 3.990 3.983 0.007 1
1 362 . 18 1 1 A 37 37 GLY C C 37 174.709 174.649 0.060 1
1 363 . 18 1 1 A 37 37 GLY CA C 37 45.510 45.003 0.507 1
1 364 . 18 1 1 A 37 37 GLY N N 37 111.087 112.655 -1.568 1
1 365 . 18 1 1 A 38 38 GLY H H 38 8.279 8.921 -0.642 1
1 366 . 18 1 1 A 38 38 GLY HA2 H 38 3.940 3.900 0.040 1
1 367 . 18 1 1 A 38 38 GLY HA3 H 38 3.940 3.902 0.038 1
1 368 . 18 1 1 A 38 38 GLY C C 38 173.722 174.111 -0.389 1
1 369 . 18 1 1 A 38 38 GLY CA C 38 45.104 46.967 -1.863 1
1 370 . 18 1 1 A 38 38 GLY N N 38 108.489 108.491 -0.002 1
1 371 . 18 1 1 A 39 39 LYS H H 39 8.134 7.862 0.272 1
1 372 . 18 1 1 A 39 39 LYS HA H 39 4.631 4.836 -0.205 1
1 381 . 18 1 1 A 39 39 LYS C C 39 174.669 176.353 -1.684 1
1 382 . 18 1 1 A 39 39 LYS CA C 39 54.141 53.209 0.932 1
1 383 . 18 1 1 A 39 39 LYS CB C 39 32.551 34.103 -1.552 1
1 387 . 18 1 1 A 39 39 LYS N N 39 121.858 119.458 2.400 1
1 388 . 18 1 1 A 40 40 PRO HA H 40 4.469 4.501 -0.032 1
1 395 . 18 1 1 A 40 40 PRO CA C 40 63.236 63.814 -0.578 1
1 396 . 18 1 1 A 40 40 PRO CB C 40 32.213 31.761 0.452 1
1 399 . 18 1 1 A 42 42 GLY HA2 H 42 4.162 4.153 0.009 1
1 400 . 18 1 1 A 42 42 GLY HA3 H 42 4.111 4.153 -0.042 1
1 401 . 18 1 1 A 42 42 GLY CA C 42 44.661 44.444 0.217 1
1 402 . 18 1 1 A 43 43 PRO HA H 43 4.476 4.757 -0.281 1
1 409 . 18 1 1 A 43 43 PRO CA C 43 63.406 62.341 1.065 1
1 410 . 18 1 1 A 43 43 PRO CB C 43 32.308 30.073 2.235 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 4.033 3.908 0.125 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.033 3.910 0.123 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.556 173.928 0.628 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.402 45.151 0.251 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.151 8.231 -0.080 1
1 6 . 19 1 1 A 8 8 THR HA H 8 4.379 4.233 0.146 1
1 11 . 19 1 1 A 8 8 THR C C 8 175.289 174.685 0.604 1
1 12 . 19 1 1 A 8 8 THR CA C 8 61.888 62.317 -0.429 1
1 13 . 19 1 1 A 8 8 THR CB C 8 69.800 69.444 0.356 1
1 15 . 19 1 1 A 8 8 THR N N 8 112.871 115.968 -3.097 1
1 16 . 19 1 1 A 9 9 GLY H H 9 8.447 8.399 0.048 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 3.947 4.043 -0.096 1
1 18 . 19 1 1 A 9 9 GLY HA3 H 9 3.947 4.045 -0.098 1
1 19 . 19 1 1 A 9 9 GLY C C 9 174.028 173.331 0.697 1
1 20 . 19 1 1 A 9 9 GLY CA C 9 45.270 46.492 -1.222 1
1 21 . 19 1 1 A 9 9 GLY N N 9 111.093 113.940 -2.847 1
1 22 . 19 1 1 A 10 10 GLU H H 10 8.230 8.148 0.082 1
1 23 . 19 1 1 A 10 10 GLU HA H 10 4.251 4.910 -0.659 1
1 28 . 19 1 1 A 10 10 GLU C C 10 176.261 174.474 1.787 1
1 29 . 19 1 1 A 10 10 GLU CA C 10 56.565 55.189 1.376 1
1 30 . 19 1 1 A 10 10 GLU CB C 10 30.519 33.443 -2.924 1
1 32 . 19 1 1 A 10 10 GLU N N 10 120.586 117.961 2.625 1
1 33 . 19 1 1 A 11 11 LYS H H 11 8.317 8.734 -0.417 1
1 34 . 19 1 1 A 11 11 LYS HA H 11 4.540 4.804 -0.264 1
1 43 . 19 1 1 A 11 11 LYS C C 11 174.000 176.298 -2.298 1
1 44 . 19 1 1 A 11 11 LYS CA C 11 53.865 53.259 0.606 1
1 45 . 19 1 1 A 11 11 LYS CB C 11 32.626 33.870 -1.244 1
1 49 . 19 1 1 A 11 11 LYS N N 11 122.992 122.841 0.151 1
1 50 . 19 1 1 A 12 12 PRO HA H 12 4.331 4.298 0.033 1
1 57 . 19 1 1 A 12 12 PRO C C 12 176.455 175.865 0.590 1
1 58 . 19 1 1 A 12 12 PRO CA C 12 62.991 64.659 -1.668 1
1 59 . 19 1 1 A 12 12 PRO CB C 12 32.285 31.796 0.489 1
1 62 . 19 1 1 A 13 13 TYR H H 13 8.131 7.769 0.362 1
1 63 . 19 1 1 A 13 13 TYR HA H 13 4.607 4.782 -0.175 1
1 70 . 19 1 1 A 13 13 TYR C C 13 174.080 174.656 -0.576 1
1 71 . 19 1 1 A 13 13 TYR CA C 13 57.300 57.056 0.244 1
1 72 . 19 1 1 A 13 13 TYR CB C 13 38.140 38.248 -0.108 1
1 77 . 19 1 1 A 13 13 TYR N N 13 119.838 117.964 1.874 1
1 78 . 19 1 1 A 14 14 LYS H H 14 8.387 8.815 -0.428 1
1 79 . 19 1 1 A 14 14 LYS HA H 14 5.090 5.407 -0.317 1
1 88 . 19 1 1 A 14 14 LYS C C 14 175.193 175.335 -0.142 1
1 89 . 19 1 1 A 14 14 LYS CA C 14 54.801 54.724 0.077 1
1 90 . 19 1 1 A 14 14 LYS CB C 14 36.002 36.523 -0.521 1
1 94 . 19 1 1 A 14 14 LYS N N 14 124.729 125.305 -0.576 1
1 95 . 19 1 1 A 15 15 CYS H H 15 9.365 9.588 -0.223 1
1 96 . 19 1 1 A 15 15 CYS HA H 15 4.546 4.620 -0.074 1
1 99 . 19 1 1 A 15 15 CYS C C 15 176.812 176.337 0.475 1
1 100 . 19 1 1 A 15 15 CYS CA C 15 59.571 59.956 -0.385 1
1 101 . 19 1 1 A 15 15 CYS CB C 15 29.635 28.638 0.997 1
1 102 . 19 1 1 A 15 15 CYS N N 15 127.942 124.925 3.017 1
1 103 . 19 1 1 A 16 16 ASN HA H 16 4.528 5.003 -0.475 1
1 108 . 19 1 1 A 16 16 ASN C C 16 175.388 176.394 -1.006 1
1 109 . 19 1 1 A 16 16 ASN CA C 16 55.505 52.568 2.937 1
1 110 . 19 1 1 A 16 16 ASN CB C 16 38.303 38.698 -0.395 1
1 112 . 19 1 1 A 17 17 GLU H H 17 8.730 7.940 0.790 1
1 113 . 19 1 1 A 17 17 GLU HA H 17 4.205 4.267 -0.062 1
1 118 . 19 1 1 A 17 17 GLU C C 17 177.141 178.189 -1.048 1
1 119 . 19 1 1 A 17 17 GLU CA C 17 58.686 58.125 0.561 1
1 120 . 19 1 1 A 17 17 GLU CB C 17 29.296 30.350 -1.054 1
1 122 . 19 1 1 A 17 17 GLU N N 17 120.847 119.553 1.294 1
1 123 . 19 1 1 A 18 18 CYS H H 18 7.941 8.122 -0.181 1
1 124 . 19 1 1 A 18 18 CYS HA H 18 5.174 4.626 0.548 1
1 127 . 19 1 1 A 18 18 CYS C C 18 176.186 175.237 0.949 1
1 128 . 19 1 1 A 18 18 CYS CA C 18 58.326 59.780 -1.454 1
1 129 . 19 1 1 A 18 18 CYS CB C 18 32.423 29.545 2.878 1
1 130 . 19 1 1 A 18 18 CYS N N 18 114.765 115.253 -0.488 1
1 131 . 19 1 1 A 19 19 GLY H H 19 8.207 8.031 0.176 1
1 132 . 19 1 1 A 19 19 GLY HA2 H 19 3.735 4.087 -0.352 1
1 133 . 19 1 1 A 19 19 GLY HA3 H 19 4.246 4.094 0.152 1
1 134 . 19 1 1 A 19 19 GLY C C 19 173.563 174.145 -0.582 1
1 135 . 19 1 1 A 19 19 GLY CA C 19 46.287 45.226 1.061 1
1 136 . 19 1 1 A 19 19 GLY N N 19 113.536 109.884 3.652 1
1 137 . 19 1 1 A 20 20 LYS H H 20 7.904 7.946 -0.042 1
1 138 . 19 1 1 A 20 20 LYS HA H 20 3.984 4.614 -0.630 1
1 147 . 19 1 1 A 20 20 LYS C C 20 174.306 175.700 -1.394 1
1 148 . 19 1 1 A 20 20 LYS CA C 20 58.283 54.462 3.821 1
1 149 . 19 1 1 A 20 20 LYS CB C 20 33.875 34.315 -0.440 1
1 153 . 19 1 1 A 20 20 LYS N N 20 122.594 118.866 3.728 1
1 154 . 19 1 1 A 21 21 VAL H H 21 7.635 8.142 -0.507 1
1 155 . 19 1 1 A 21 21 VAL HA H 21 4.756 5.135 -0.379 1
1 163 . 19 1 1 A 21 21 VAL C C 21 175.180 174.253 0.927 1
1 164 . 19 1 1 A 21 21 VAL CA C 21 60.394 60.171 0.223 1
1 165 . 19 1 1 A 21 21 VAL CB C 21 33.875 35.812 -1.937 1
1 168 . 19 1 1 A 21 21 VAL N N 21 117.274 119.963 -2.689 1
1 169 . 19 1 1 A 22 22 PHE H H 22 8.752 9.224 -0.472 1
1 170 . 19 1 1 A 22 22 PHE HA H 22 4.895 4.968 -0.073 1
1 178 . 19 1 1 A 22 22 PHE C C 22 175.688 175.601 0.087 1
1 179 . 19 1 1 A 22 22 PHE CA C 22 56.949 56.361 0.588 1
1 180 . 19 1 1 A 22 22 PHE CB C 22 43.525 43.518 0.007 1
1 186 . 19 1 1 A 22 22 PHE N N 22 121.527 123.666 -2.139 1
1 187 . 19 1 1 A 23 23 THR H H 23 9.516 8.835 0.681 1
1 188 . 19 1 1 A 23 23 THR HA H 23 4.572 4.384 0.188 1
1 193 . 19 1 1 A 23 23 THR C C 23 174.880 173.839 1.041 1
1 194 . 19 1 1 A 23 23 THR CA C 23 63.272 63.622 -0.350 1
1 195 . 19 1 1 A 23 23 THR CB C 23 69.636 70.027 -0.391 1
1 197 . 19 1 1 A 23 23 THR N N 23 111.253 116.240 -4.987 1
1 198 . 19 1 1 A 24 24 GLN H H 24 7.074 7.610 -0.536 1
1 199 . 19 1 1 A 24 24 GLN HA H 24 4.531 3.871 0.660 1
1 206 . 19 1 1 A 24 24 GLN C C 24 175.849 175.436 0.413 1
1 207 . 19 1 1 A 24 24 GLN CA C 24 54.002 53.627 0.375 1
1 208 . 19 1 1 A 24 24 GLN CB C 24 32.066 31.556 0.510 1
1 210 . 19 1 1 A 24 24 GLN N N 24 115.274 117.677 -2.403 1
1 212 . 19 1 1 A 25 25 ASN HA H 25 3.618 4.367 -0.749 1
1 217 . 19 1 1 A 25 25 ASN CA C 25 56.193 55.952 0.241 1
1 218 . 19 1 1 A 25 25 ASN CB C 25 38.289 37.394 0.895 1
1 219 . 19 1 1 A 25 25 ASN N N 25 119.000 120.553 -1.553 1
1 221 . 19 1 1 A 26 26 SER HA H 26 4.045 4.017 0.028 1
1 224 . 19 1 1 A 26 26 SER C C 26 177.179 176.677 0.502 1
1 225 . 19 1 1 A 26 26 SER CA C 26 60.858 62.144 -1.286 1
1 226 . 19 1 1 A 26 26 SER CB C 26 61.697 62.551 -0.854 1
1 227 . 19 1 1 A 26 26 SER N N 26 116.000 116.219 -0.219 1
1 228 . 19 1 1 A 27 27 HIS H H 27 6.761 7.797 -1.036 1
1 229 . 19 1 1 A 27 27 HIS HA H 27 4.413 4.214 0.199 1
1 234 . 19 1 1 A 27 27 HIS C C 27 178.164 177.365 0.799 1
1 235 . 19 1 1 A 27 27 HIS CA C 27 57.067 58.595 -1.528 1
1 236 . 19 1 1 A 27 27 HIS CB C 27 31.815 29.377 2.438 1
1 239 . 19 1 1 A 27 27 HIS N N 27 121.682 119.370 2.312 1
1 240 . 19 1 1 A 28 28 LEU H H 28 6.960 7.327 -0.367 1
1 241 . 19 1 1 A 28 28 LEU HA H 28 3.190 2.884 0.306 1
1 251 . 19 1 1 A 28 28 LEU C C 28 177.255 178.140 -0.885 1
1 252 . 19 1 1 A 28 28 LEU CA C 28 57.687 57.419 0.268 1
1 253 . 19 1 1 A 28 28 LEU CB C 28 40.420 41.294 -0.874 1
1 257 . 19 1 1 A 28 28 LEU N N 28 122.330 120.719 1.611 1
1 258 . 19 1 1 A 29 29 ALA H H 29 8.293 8.796 -0.503 1
1 259 . 19 1 1 A 29 29 ALA HA H 29 3.936 4.027 -0.091 1
1 263 . 19 1 1 A 29 29 ALA C C 29 180.550 179.479 1.071 1
1 264 . 19 1 1 A 29 29 ALA CA C 29 55.247 55.657 -0.410 1
1 265 . 19 1 1 A 29 29 ALA CB C 29 17.769 18.287 -0.518 1
1 266 . 19 1 1 A 29 29 ALA N N 29 121.027 121.349 -0.322 1
1 267 . 19 1 1 A 30 30 ARG H H 30 7.470 8.485 -1.015 1
1 268 . 19 1 1 A 30 30 ARG HA H 30 3.986 4.180 -0.194 1
1 275 . 19 1 1 A 30 30 ARG C C 30 178.649 178.037 0.612 1
1 276 . 19 1 1 A 30 30 ARG CA C 30 58.817 58.045 0.772 1
1 277 . 19 1 1 A 30 30 ARG CB C 30 30.266 29.098 1.168 1
1 280 . 19 1 1 A 30 30 ARG N N 30 116.540 117.006 -0.466 1
1 281 . 19 1 1 A 31 31 HIS H H 31 7.639 7.651 -0.012 1
1 282 . 19 1 1 A 31 31 HIS HA H 31 4.238 4.199 0.039 1
1 287 . 19 1 1 A 31 31 HIS C C 31 176.034 177.315 -1.281 1
1 288 . 19 1 1 A 31 31 HIS CA C 31 58.663 59.002 -0.339 1
1 289 . 19 1 1 A 31 31 HIS CB C 31 28.646 29.823 -1.177 1
1 292 . 19 1 1 A 31 31 HIS N N 31 119.387 120.136 -0.749 1
1 293 . 19 1 1 A 32 32 ARG H H 32 8.158 8.444 -0.286 1
1 294 . 19 1 1 A 32 32 ARG HA H 32 3.677 3.903 -0.226 1
1 301 . 19 1 1 A 32 32 ARG C C 32 177.576 178.716 -1.140 1
1 302 . 19 1 1 A 32 32 ARG CA C 32 59.884 59.591 0.293 1
1 303 . 19 1 1 A 32 32 ARG CB C 32 29.827 30.064 -0.237 1
1 306 . 19 1 1 A 32 32 ARG N N 32 115.483 117.992 -2.509 1
1 307 . 19 1 1 A 33 33 ARG H H 33 7.069 7.813 -0.744 1
1 308 . 19 1 1 A 33 33 ARG HA H 33 4.130 4.227 -0.097 1
1 315 . 19 1 1 A 33 33 ARG C C 33 178.283 177.816 0.467 1
1 316 . 19 1 1 A 33 33 ARG CA C 33 58.201 58.553 -0.352 1
1 317 . 19 1 1 A 33 33 ARG CB C 33 29.938 29.987 -0.049 1
1 320 . 19 1 1 A 33 33 ARG N N 33 116.839 117.906 -1.067 1
1 321 . 19 1 1 A 34 34 VAL H H 34 7.920 8.052 -0.132 1
1 322 . 19 1 1 A 34 34 VAL HA H 34 3.904 3.691 0.213 1
1 330 . 19 1 1 A 34 34 VAL C C 34 177.122 178.295 -1.173 1
1 331 . 19 1 1 A 34 34 VAL CA C 34 63.913 65.611 -1.698 1
1 332 . 19 1 1 A 34 34 VAL CB C 34 31.126 31.005 0.121 1
1 335 . 19 1 1 A 34 34 VAL N N 34 116.036 115.126 0.910 1
1 336 . 19 1 1 A 35 35 HIS H H 35 7.284 7.789 -0.505 1
1 337 . 19 1 1 A 35 35 HIS HA H 35 4.899 4.281 0.618 1
1 342 . 19 1 1 A 35 35 HIS C C 35 175.530 176.054 -0.524 1
1 343 . 19 1 1 A 35 35 HIS CA C 35 54.910 59.477 -4.567 1
1 344 . 19 1 1 A 35 35 HIS CB C 35 28.775 30.859 -2.084 1
1 347 . 19 1 1 A 35 35 HIS N N 35 117.360 120.205 -2.845 1
1 348 . 19 1 1 A 36 36 THR H H 36 7.787 7.190 0.597 1
1 349 . 19 1 1 A 36 36 THR HA H 36 4.408 4.364 0.044 1
1 354 . 19 1 1 A 36 36 THR C C 36 175.489 174.526 0.963 1
1 355 . 19 1 1 A 36 36 THR CA C 36 62.176 61.339 0.837 1
1 356 . 19 1 1 A 36 36 THR CB C 36 69.788 68.629 1.159 1
1 358 . 19 1 1 A 36 36 THR N N 36 111.920 107.599 4.321 1
1 359 . 19 1 1 A 37 37 GLY H H 37 8.364 8.153 0.211 1
1 360 . 19 1 1 A 37 37 GLY HA2 H 37 3.990 4.110 -0.120 1
1 361 . 19 1 1 A 37 37 GLY HA3 H 37 3.990 4.122 -0.132 1
1 362 . 19 1 1 A 37 37 GLY C C 37 174.709 174.740 -0.031 1
1 363 . 19 1 1 A 37 37 GLY CA C 37 45.510 46.411 -0.901 1
1 364 . 19 1 1 A 37 37 GLY N N 37 111.087 110.564 0.523 1
1 365 . 19 1 1 A 38 38 GLY H H 38 8.279 8.772 -0.493 1
1 366 . 19 1 1 A 38 38 GLY HA2 H 38 3.940 3.899 0.041 1
1 367 . 19 1 1 A 38 38 GLY HA3 H 38 3.940 3.902 0.038 1
1 368 . 19 1 1 A 38 38 GLY C C 38 173.722 173.850 -0.128 1
1 369 . 19 1 1 A 38 38 GLY CA C 38 45.104 46.905 -1.801 1
1 370 . 19 1 1 A 38 38 GLY N N 38 108.489 115.240 -6.751 1
1 371 . 19 1 1 A 39 39 LYS H H 39 8.134 8.170 -0.036 1
1 372 . 19 1 1 A 39 39 LYS HA H 39 4.631 4.826 -0.195 1
1 381 . 19 1 1 A 39 39 LYS C C 39 174.669 174.017 0.652 1
1 382 . 19 1 1 A 39 39 LYS CA C 39 54.141 52.994 1.147 1
1 383 . 19 1 1 A 39 39 LYS CB C 39 32.551 33.997 -1.446 1
1 387 . 19 1 1 A 39 39 LYS N N 39 121.858 123.141 -1.283 1
1 388 . 19 1 1 A 40 40 PRO HA H 40 4.469 4.901 -0.432 1
1 395 . 19 1 1 A 40 40 PRO CA C 40 63.236 62.903 0.333 1
1 396 . 19 1 1 A 40 40 PRO CB C 40 32.213 33.309 -1.096 1
1 399 . 19 1 1 A 42 42 GLY HA2 H 42 4.162 4.479 -0.317 1
1 400 . 19 1 1 A 42 42 GLY HA3 H 42 4.111 4.497 -0.386 1
1 401 . 19 1 1 A 42 42 GLY CA C 42 44.661 45.801 -1.140 1
1 402 . 19 1 1 A 43 43 PRO HA H 43 4.476 4.535 -0.059 1
1 409 . 19 1 1 A 43 43 PRO CA C 43 63.406 63.897 -0.491 1
1 410 . 19 1 1 A 43 43 PRO CB C 43 32.308 31.634 0.674 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 4.033 4.067 -0.034 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.033 4.068 -0.035 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.556 173.294 1.262 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.402 46.231 -0.829 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.151 7.484 0.667 1
1 6 . 20 1 1 A 8 8 THR HA H 8 4.379 4.885 -0.506 1
1 11 . 20 1 1 A 8 8 THR C C 8 175.289 174.646 0.643 1
1 12 . 20 1 1 A 8 8 THR CA C 8 61.888 60.418 1.470 1
1 13 . 20 1 1 A 8 8 THR CB C 8 69.800 70.342 -0.542 1
1 15 . 20 1 1 A 8 8 THR N N 8 112.871 113.831 -0.960 1
1 16 . 20 1 1 A 9 9 GLY H H 9 8.447 8.677 -0.230 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 3.947 4.094 -0.147 1
1 18 . 20 1 1 A 9 9 GLY HA3 H 9 3.947 4.096 -0.149 1
1 19 . 20 1 1 A 9 9 GLY C C 9 174.028 172.732 1.296 1
1 20 . 20 1 1 A 9 9 GLY CA C 9 45.270 44.903 0.367 1
1 21 . 20 1 1 A 9 9 GLY N N 9 111.093 113.195 -2.102 1
1 22 . 20 1 1 A 10 10 GLU H H 10 8.230 8.613 -0.383 1
1 23 . 20 1 1 A 10 10 GLU HA H 10 4.251 4.375 -0.124 1
1 28 . 20 1 1 A 10 10 GLU C C 10 176.261 175.480 0.781 1
1 29 . 20 1 1 A 10 10 GLU CA C 10 56.565 55.483 1.082 1
1 30 . 20 1 1 A 10 10 GLU CB C 10 30.519 28.114 2.405 1
1 32 . 20 1 1 A 10 10 GLU N N 10 120.586 121.954 -1.368 1
1 33 . 20 1 1 A 11 11 LYS H H 11 8.317 7.710 0.607 1
1 34 . 20 1 1 A 11 11 LYS HA H 11 4.540 5.004 -0.464 1
1 43 . 20 1 1 A 11 11 LYS C C 11 174.000 175.315 -1.315 1
1 44 . 20 1 1 A 11 11 LYS CA C 11 53.865 53.078 0.787 1
1 45 . 20 1 1 A 11 11 LYS CB C 11 32.626 34.164 -1.538 1
1 49 . 20 1 1 A 11 11 LYS N N 11 122.992 124.624 -1.632 1
1 50 . 20 1 1 A 12 12 PRO HA H 12 4.331 4.497 -0.166 1
1 57 . 20 1 1 A 12 12 PRO C C 12 176.455 175.869 0.586 1
1 58 . 20 1 1 A 12 12 PRO CA C 12 62.991 64.310 -1.319 1
1 59 . 20 1 1 A 12 12 PRO CB C 12 32.285 31.706 0.579 1
1 62 . 20 1 1 A 13 13 TYR H H 13 8.131 7.853 0.278 1
1 63 . 20 1 1 A 13 13 TYR HA H 13 4.607 4.959 -0.352 1
1 70 . 20 1 1 A 13 13 TYR C C 13 174.080 174.821 -0.741 1
1 71 . 20 1 1 A 13 13 TYR CA C 13 57.300 57.432 -0.132 1
1 72 . 20 1 1 A 13 13 TYR CB C 13 38.140 39.391 -1.251 1
1 77 . 20 1 1 A 13 13 TYR N N 13 119.838 118.880 0.958 1
1 78 . 20 1 1 A 14 14 LYS H H 14 8.387 8.918 -0.531 1
1 79 . 20 1 1 A 14 14 LYS HA H 14 5.090 5.172 -0.082 1
1 88 . 20 1 1 A 14 14 LYS C C 14 175.193 174.868 0.325 1
1 89 . 20 1 1 A 14 14 LYS CA C 14 54.801 55.066 -0.265 1
1 90 . 20 1 1 A 14 14 LYS CB C 14 36.002 36.212 -0.210 1
1 94 . 20 1 1 A 14 14 LYS N N 14 124.729 124.004 0.725 1
1 95 . 20 1 1 A 15 15 CYS H H 15 9.365 9.390 -0.025 1
1 96 . 20 1 1 A 15 15 CYS HA H 15 4.546 4.587 -0.041 1
1 99 . 20 1 1 A 15 15 CYS C C 15 176.812 175.717 1.095 1
1 100 . 20 1 1 A 15 15 CYS CA C 15 59.571 59.658 -0.087 1
1 101 . 20 1 1 A 15 15 CYS CB C 15 29.635 28.178 1.457 1
1 102 . 20 1 1 A 15 15 CYS N N 15 127.942 124.499 3.443 1
1 103 . 20 1 1 A 16 16 ASN HA H 16 4.528 4.904 -0.376 1
1 108 . 20 1 1 A 16 16 ASN C C 16 175.388 175.719 -0.331 1
1 109 . 20 1 1 A 16 16 ASN CA C 16 55.505 53.723 1.782 1
1 110 . 20 1 1 A 16 16 ASN CB C 16 38.303 38.514 -0.211 1
1 112 . 20 1 1 A 17 17 GLU H H 17 8.730 7.522 1.208 1
1 113 . 20 1 1 A 17 17 GLU HA H 17 4.205 4.262 -0.057 1
1 118 . 20 1 1 A 17 17 GLU C C 17 177.141 178.202 -1.061 1
1 119 . 20 1 1 A 17 17 GLU CA C 17 58.686 58.209 0.477 1
1 120 . 20 1 1 A 17 17 GLU CB C 17 29.296 30.324 -1.028 1
1 122 . 20 1 1 A 17 17 GLU N N 17 120.847 118.659 2.188 1
1 123 . 20 1 1 A 18 18 CYS H H 18 7.941 8.178 -0.237 1
1 124 . 20 1 1 A 18 18 CYS HA H 18 5.174 4.734 0.440 1
1 127 . 20 1 1 A 18 18 CYS C C 18 176.186 175.251 0.935 1
1 128 . 20 1 1 A 18 18 CYS CA C 18 58.326 59.818 -1.492 1
1 129 . 20 1 1 A 18 18 CYS CB C 18 32.423 29.733 2.690 1
1 130 . 20 1 1 A 18 18 CYS N N 18 114.765 114.952 -0.187 1
1 131 . 20 1 1 A 19 19 GLY H H 19 8.207 7.971 0.236 1
1 132 . 20 1 1 A 19 19 GLY HA2 H 19 3.735 4.089 -0.354 1
1 133 . 20 1 1 A 19 19 GLY HA3 H 19 4.246 4.095 0.151 1
1 134 . 20 1 1 A 19 19 GLY C C 19 173.563 174.270 -0.707 1
1 135 . 20 1 1 A 19 19 GLY CA C 19 46.287 45.143 1.144 1
1 136 . 20 1 1 A 19 19 GLY N N 19 113.536 109.576 3.960 1
1 137 . 20 1 1 A 20 20 LYS H H 20 7.904 7.900 0.004 1
1 138 . 20 1 1 A 20 20 LYS HA H 20 3.984 4.521 -0.537 1
1 147 . 20 1 1 A 20 20 LYS C C 20 174.306 175.538 -1.232 1
1 148 . 20 1 1 A 20 20 LYS CA C 20 58.283 54.974 3.309 1
1 149 . 20 1 1 A 20 20 LYS CB C 20 33.875 34.378 -0.503 1
1 153 . 20 1 1 A 20 20 LYS N N 20 122.594 119.128 3.466 1
1 154 . 20 1 1 A 21 21 VAL H H 21 7.635 8.093 -0.458 1
1 155 . 20 1 1 A 21 21 VAL HA H 21 4.756 4.862 -0.106 1
1 163 . 20 1 1 A 21 21 VAL C C 21 175.180 174.106 1.074 1
1 164 . 20 1 1 A 21 21 VAL CA C 21 60.394 60.138 0.256 1
1 165 . 20 1 1 A 21 21 VAL CB C 21 33.875 35.879 -2.004 1
1 168 . 20 1 1 A 21 21 VAL N N 21 117.274 119.662 -2.388 1
1 169 . 20 1 1 A 22 22 PHE H H 22 8.752 8.903 -0.151 1
1 170 . 20 1 1 A 22 22 PHE HA H 22 4.895 4.970 -0.075 1
1 178 . 20 1 1 A 22 22 PHE C C 22 175.688 175.581 0.107 1
1 179 . 20 1 1 A 22 22 PHE CA C 22 56.949 56.551 0.398 1
1 180 . 20 1 1 A 22 22 PHE CB C 22 43.525 43.391 0.134 1
1 186 . 20 1 1 A 22 22 PHE N N 22 121.527 123.866 -2.339 1
1 187 . 20 1 1 A 23 23 THR H H 23 9.516 8.785 0.731 1
1 188 . 20 1 1 A 23 23 THR HA H 23 4.572 4.339 0.233 1
1 193 . 20 1 1 A 23 23 THR C C 23 174.880 173.781 1.099 1
1 194 . 20 1 1 A 23 23 THR CA C 23 63.272 63.706 -0.434 1
1 195 . 20 1 1 A 23 23 THR CB C 23 69.636 69.950 -0.314 1
1 197 . 20 1 1 A 23 23 THR N N 23 111.253 116.999 -5.746 1
1 198 . 20 1 1 A 24 24 GLN H H 24 7.074 7.680 -0.606 1
1 199 . 20 1 1 A 24 24 GLN HA H 24 4.531 4.038 0.493 1
1 206 . 20 1 1 A 24 24 GLN C C 24 175.849 175.211 0.638 1
1 207 . 20 1 1 A 24 24 GLN CA C 24 54.002 53.438 0.564 1
1 208 . 20 1 1 A 24 24 GLN CB C 24 32.066 31.696 0.370 1
1 210 . 20 1 1 A 24 24 GLN N N 24 115.274 117.362 -2.088 1
1 212 . 20 1 1 A 25 25 ASN HA H 25 3.618 4.345 -0.727 1
1 217 . 20 1 1 A 25 25 ASN CA C 25 56.193 55.669 0.524 1
1 218 . 20 1 1 A 25 25 ASN CB C 25 38.289 38.986 -0.697 1
1 219 . 20 1 1 A 25 25 ASN N N 25 119.000 121.176 -2.176 1
1 221 . 20 1 1 A 26 26 SER HA H 26 4.045 3.999 0.046 1
1 224 . 20 1 1 A 26 26 SER C C 26 177.179 176.776 0.403 1
1 225 . 20 1 1 A 26 26 SER CA C 26 60.858 61.120 -0.262 1
1 226 . 20 1 1 A 26 26 SER CB C 26 61.697 63.018 -1.321 1
1 227 . 20 1 1 A 26 26 SER N N 26 116.000 114.107 1.893 1
1 228 . 20 1 1 A 27 27 HIS H H 27 6.761 7.307 -0.546 1
1 229 . 20 1 1 A 27 27 HIS HA H 27 4.413 4.270 0.143 1
1 234 . 20 1 1 A 27 27 HIS C C 27 178.164 177.690 0.474 1
1 235 . 20 1 1 A 27 27 HIS CA C 27 57.067 59.449 -2.382 1
1 236 . 20 1 1 A 27 27 HIS CB C 27 31.815 30.095 1.720 1
1 239 . 20 1 1 A 27 27 HIS N N 27 121.682 118.663 3.019 1
1 240 . 20 1 1 A 28 28 LEU H H 28 6.960 8.103 -1.143 1
1 241 . 20 1 1 A 28 28 LEU HA H 28 3.190 2.746 0.444 1
1 251 . 20 1 1 A 28 28 LEU C C 28 177.255 178.250 -0.995 1
1 252 . 20 1 1 A 28 28 LEU CA C 28 57.687 57.040 0.647 1
1 253 . 20 1 1 A 28 28 LEU CB C 28 40.420 41.379 -0.959 1
1 257 . 20 1 1 A 28 28 LEU N N 28 122.330 120.706 1.624 1
1 258 . 20 1 1 A 29 29 ALA H H 29 8.293 8.475 -0.182 1
1 259 . 20 1 1 A 29 29 ALA HA H 29 3.936 3.991 -0.055 1
1 263 . 20 1 1 A 29 29 ALA C C 29 180.550 179.575 0.975 1
1 264 . 20 1 1 A 29 29 ALA CA C 29 55.247 55.394 -0.147 1
1 265 . 20 1 1 A 29 29 ALA CB C 29 17.769 18.320 -0.551 1
1 266 . 20 1 1 A 29 29 ALA N N 29 121.027 121.301 -0.274 1
1 267 . 20 1 1 A 30 30 ARG H H 30 7.470 7.934 -0.464 1
1 268 . 20 1 1 A 30 30 ARG HA H 30 3.986 4.070 -0.084 1
1 275 . 20 1 1 A 30 30 ARG C C 30 178.649 178.395 0.254 1
1 276 . 20 1 1 A 30 30 ARG CA C 30 58.817 58.513 0.304 1
1 277 . 20 1 1 A 30 30 ARG CB C 30 30.266 29.865 0.401 1
1 280 . 20 1 1 A 30 30 ARG N N 30 116.540 117.149 -0.609 1
1 281 . 20 1 1 A 31 31 HIS H H 31 7.639 7.729 -0.090 1
1 282 . 20 1 1 A 31 31 HIS HA H 31 4.238 4.263 -0.025 1
1 287 . 20 1 1 A 31 31 HIS C C 31 176.034 176.969 -0.935 1
1 288 . 20 1 1 A 31 31 HIS CA C 31 58.663 59.587 -0.924 1
1 289 . 20 1 1 A 31 31 HIS CB C 31 28.646 29.997 -1.351 1
1 292 . 20 1 1 A 31 31 HIS N N 31 119.387 120.123 -0.736 1
1 293 . 20 1 1 A 32 32 ARG H H 32 8.158 8.054 0.104 1
1 294 . 20 1 1 A 32 32 ARG HA H 32 3.677 3.847 -0.170 1
1 301 . 20 1 1 A 32 32 ARG C C 32 177.576 178.914 -1.338 1
1 302 . 20 1 1 A 32 32 ARG CA C 32 59.884 59.407 0.477 1
1 303 . 20 1 1 A 32 32 ARG CB C 32 29.827 29.880 -0.053 1
1 306 . 20 1 1 A 32 32 ARG N N 32 115.483 117.157 -1.674 1
1 307 . 20 1 1 A 33 33 ARG H H 33 7.069 8.085 -1.016 1
1 308 . 20 1 1 A 33 33 ARG HA H 33 4.130 3.960 0.170 1
1 315 . 20 1 1 A 33 33 ARG C C 33 178.283 178.311 -0.028 1
1 316 . 20 1 1 A 33 33 ARG CA C 33 58.201 59.096 -0.895 1
1 317 . 20 1 1 A 33 33 ARG CB C 33 29.938 29.764 0.174 1
1 320 . 20 1 1 A 33 33 ARG N N 33 116.839 120.196 -3.357 1
1 321 . 20 1 1 A 34 34 VAL H H 34 7.920 8.141 -0.221 1
1 322 . 20 1 1 A 34 34 VAL HA H 34 3.904 3.770 0.134 1
1 330 . 20 1 1 A 34 34 VAL C C 34 177.122 178.034 -0.912 1
1 331 . 20 1 1 A 34 34 VAL CA C 34 63.913 65.616 -1.703 1
1 332 . 20 1 1 A 34 34 VAL CB C 34 31.126 31.020 0.106 1
1 335 . 20 1 1 A 34 34 VAL N N 34 116.036 117.436 -1.400 1
1 336 . 20 1 1 A 35 35 HIS H H 35 7.284 8.034 -0.750 1
1 337 . 20 1 1 A 35 35 HIS HA H 35 4.899 4.307 0.592 1
1 342 . 20 1 1 A 35 35 HIS C C 35 175.530 176.795 -1.265 1
1 343 . 20 1 1 A 35 35 HIS CA C 35 54.910 59.075 -4.165 1
1 344 . 20 1 1 A 35 35 HIS CB C 35 28.775 29.680 -0.905 1
1 347 . 20 1 1 A 35 35 HIS N N 35 117.360 119.936 -2.576 1
1 348 . 20 1 1 A 36 36 THR H H 36 7.787 7.588 0.199 1
1 349 . 20 1 1 A 36 36 THR HA H 36 4.408 4.290 0.118 1
1 354 . 20 1 1 A 36 36 THR C C 36 175.489 175.467 0.022 1
1 355 . 20 1 1 A 36 36 THR CA C 36 62.176 60.930 1.246 1
1 356 . 20 1 1 A 36 36 THR CB C 36 69.788 67.072 2.716 1
1 358 . 20 1 1 A 36 36 THR N N 36 111.920 111.587 0.333 1
1 359 . 20 1 1 A 37 37 GLY H H 37 8.364 8.328 0.036 1
1 360 . 20 1 1 A 37 37 GLY HA2 H 37 3.990 3.944 0.046 1
1 361 . 20 1 1 A 37 37 GLY HA3 H 37 3.990 3.951 0.039 1
1 362 . 20 1 1 A 37 37 GLY C C 37 174.709 174.797 -0.088 1
1 363 . 20 1 1 A 37 37 GLY CA C 37 45.510 45.680 -0.170 1
1 364 . 20 1 1 A 37 37 GLY N N 37 111.087 113.518 -2.431 1
1 365 . 20 1 1 A 38 38 GLY H H 38 8.279 8.054 0.225 1
1 366 . 20 1 1 A 38 38 GLY HA2 H 38 3.940 4.037 -0.097 1
1 367 . 20 1 1 A 38 38 GLY HA3 H 38 3.940 4.039 -0.099 1
1 368 . 20 1 1 A 38 38 GLY C C 38 173.722 173.948 -0.226 1
1 369 . 20 1 1 A 38 38 GLY CA C 38 45.104 46.504 -1.400 1
1 370 . 20 1 1 A 38 38 GLY N N 38 108.489 107.345 1.144 1
1 371 . 20 1 1 A 39 39 LYS H H 39 8.134 8.177 -0.043 1
1 372 . 20 1 1 A 39 39 LYS HA H 39 4.631 4.616 0.015 1
1 381 . 20 1 1 A 39 39 LYS C C 39 174.669 175.233 -0.564 1
1 382 . 20 1 1 A 39 39 LYS CA C 39 54.141 54.540 -0.399 1
1 383 . 20 1 1 A 39 39 LYS CB C 39 32.551 32.845 -0.294 1
1 387 . 20 1 1 A 39 39 LYS N N 39 121.858 123.768 -1.910 1
1 388 . 20 1 1 A 40 40 PRO HA H 40 4.469 4.735 -0.266 1
1 395 . 20 1 1 A 40 40 PRO CA C 40 63.236 62.393 0.843 1
1 396 . 20 1 1 A 40 40 PRO CB C 40 32.213 29.914 2.299 1
1 399 . 20 1 1 A 42 42 GLY HA2 H 42 4.162 3.862 0.300 1
1 400 . 20 1 1 A 42 42 GLY HA3 H 42 4.111 3.864 0.247 1
1 401 . 20 1 1 A 42 42 GLY CA C 42 44.661 47.452 -2.791 1
1 402 . 20 1 1 A 43 43 PRO HA H 43 4.476 4.675 -0.199 1
1 409 . 20 1 1 A 43 43 PRO CA C 43 63.406 62.710 0.696 1
1 410 . 20 1 1 A 43 43 PRO CB C 43 32.308 30.658 1.650 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 32 1.026 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.484 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 0.975 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.487 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.271 1
6 1 1 1 "RMS(OBS, PRED)" N 30 2.702 1
7 1 2 1 "RMS(OBS, PRED)" C 32 0.978 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.342 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.219 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.576 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.257 1
12 1 2 1 "RMS(OBS, PRED)" N 30 2.824 1
13 1 3 1 "RMS(OBS, PRED)" C 32 0.949 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.331 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.077 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.554 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.269 1
18 1 3 1 "RMS(OBS, PRED)" N 30 2.326 1
19 1 4 1 "RMS(OBS, PRED)" C 32 1.002 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.210 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.118 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.628 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.219 1
24 1 4 1 "RMS(OBS, PRED)" N 30 2.847 1
25 1 5 1 "RMS(OBS, PRED)" C 32 1.163 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.413 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.246 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.524 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.294 1
30 1 5 1 "RMS(OBS, PRED)" N 30 2.873 1
31 1 6 1 "RMS(OBS, PRED)" C 32 1.070 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.424 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.394 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.545 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.305 1
36 1 6 1 "RMS(OBS, PRED)" N 30 2.366 1
37 1 7 1 "RMS(OBS, PRED)" C 32 0.966 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.347 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.118 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.544 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.244 1
42 1 7 1 "RMS(OBS, PRED)" N 30 2.594 1
43 1 8 1 "RMS(OBS, PRED)" C 32 1.091 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.388 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.107 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.546 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.294 1
48 1 8 1 "RMS(OBS, PRED)" N 30 3.004 1
49 1 9 1 "RMS(OBS, PRED)" C 32 1.090 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.472 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.292 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.531 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.249 1
54 1 9 1 "RMS(OBS, PRED)" N 30 2.510 1
55 1 10 1 "RMS(OBS, PRED)" C 32 1.112 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.205 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.073 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.444 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.283 1
60 1 10 1 "RMS(OBS, PRED)" N 30 2.578 1
61 1 11 1 "RMS(OBS, PRED)" C 32 1.079 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.263 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.203 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.536 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.268 1
66 1 11 1 "RMS(OBS, PRED)" N 30 2.704 1
67 1 12 1 "RMS(OBS, PRED)" C 32 0.907 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.198 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.389 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.565 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.240 1
72 1 12 1 "RMS(OBS, PRED)" N 30 2.340 1
73 1 13 1 "RMS(OBS, PRED)" C 32 1.134 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.216 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.215 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.565 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.296 1
78 1 13 1 "RMS(OBS, PRED)" N 30 2.278 1
79 1 14 1 "RMS(OBS, PRED)" C 32 0.990 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.198 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.057 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.608 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.279 1
84 1 14 1 "RMS(OBS, PRED)" N 30 2.499 1
85 1 15 1 "RMS(OBS, PRED)" C 32 0.855 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.317 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.022 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.534 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.261 1
90 1 15 1 "RMS(OBS, PRED)" N 30 2.693 1
91 1 16 1 "RMS(OBS, PRED)" C 32 0.944 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.215 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.177 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.567 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.262 1
96 1 16 1 "RMS(OBS, PRED)" N 30 2.772 1
97 1 17 1 "RMS(OBS, PRED)" C 32 1.027 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.280 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.186 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.567 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.320 1
102 1 17 1 "RMS(OBS, PRED)" N 30 2.619 1
103 1 18 1 "RMS(OBS, PRED)" C 32 0.999 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.293 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 1.097 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.554 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.260 1
108 1 18 1 "RMS(OBS, PRED)" N 30 2.517 1
109 1 19 1 "RMS(OBS, PRED)" C 32 0.941 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.425 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.265 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.491 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.318 1
114 1 19 1 "RMS(OBS, PRED)" N 30 2.645 1
115 1 20 1 "RMS(OBS, PRED)" C 32 0.861 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.379 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.314 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.534 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.282 1
120 1 20 1 "RMS(OBS, PRED)" N 30 2.341 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 4.033 4.023 0.010 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.033 4.026 0.007 2
1 3 . 1 1 A 7 7 GLY C C 7 174.556 173.712 0.844 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.402 45.918 -0.516 2
1 5 . 1 1 A 8 8 THR H H 8 8.151 8.194 -0.043 2
1 6 . 1 1 A 8 8 THR HA H 8 4.379 4.752 -0.373 2
1 11 . 1 1 A 8 8 THR C C 8 175.289 174.132 1.157 2
1 12 . 1 1 A 8 8 THR CA C 8 61.888 60.954 0.934 2
1 13 . 1 1 A 8 8 THR CB C 8 69.800 70.420 -0.620 2
1 15 . 1 1 A 8 8 THR N N 8 112.871 115.549 -2.678 2
1 16 . 1 1 A 9 9 GLY H H 9 8.447 8.387 0.060 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 3.947 4.122 -0.175 2
1 18 . 1 1 A 9 9 GLY HA3 H 9 3.947 4.127 -0.180 2
1 19 . 1 1 A 9 9 GLY C C 9 174.028 173.085 0.943 2
1 20 . 1 1 A 9 9 GLY CA C 9 45.270 45.383 -0.112 2
1 21 . 1 1 A 9 9 GLY N N 9 111.093 112.130 -1.037 2
1 22 . 1 1 A 10 10 GLU H H 10 8.230 8.620 -0.390 2
1 23 . 1 1 A 10 10 GLU HA H 10 4.251 4.654 -0.403 2
1 28 . 1 1 A 10 10 GLU C C 10 176.261 175.462 0.799 2
1 29 . 1 1 A 10 10 GLU CA C 10 56.565 55.645 0.920 2
1 30 . 1 1 A 10 10 GLU CB C 10 30.519 30.540 -0.021 2
1 32 . 1 1 A 10 10 GLU N N 10 120.586 121.535 -0.949 2
1 33 . 1 1 A 11 11 LYS H H 11 8.317 8.201 0.116 2
1 34 . 1 1 A 11 11 LYS HA H 11 4.540 4.757 -0.217 2
1 43 . 1 1 A 11 11 LYS C C 11 174.000 176.122 -2.122 2
1 44 . 1 1 A 11 11 LYS CA C 11 53.865 53.561 0.304 2
1 45 . 1 1 A 11 11 LYS CB C 11 32.626 33.585 -0.959 2
1 49 . 1 1 A 11 11 LYS N N 11 122.992 123.131 -0.139 2
1 50 . 1 1 A 12 12 PRO HA H 12 4.331 4.375 -0.044 2
1 57 . 1 1 A 12 12 PRO C C 12 176.455 175.782 0.673 2
1 58 . 1 1 A 12 12 PRO CA C 12 62.991 64.401 -1.410 2
1 59 . 1 1 A 12 12 PRO CB C 12 32.285 31.589 0.696 2
1 62 . 1 1 A 13 13 TYR H H 13 8.131 7.704 0.427 2
1 63 . 1 1 A 13 13 TYR HA H 13 4.607 4.883 -0.275 2
1 70 . 1 1 A 13 13 TYR C C 13 174.080 174.746 -0.666 2
1 71 . 1 1 A 13 13 TYR CA C 13 57.300 57.279 0.021 2
1 72 . 1 1 A 13 13 TYR CB C 13 38.140 38.934 -0.794 2
1 77 . 1 1 A 13 13 TYR N N 13 119.838 118.453 1.385 2
1 78 . 1 1 A 14 14 LYS H H 14 8.387 8.877 -0.490 2
1 79 . 1 1 A 14 14 LYS HA H 14 5.090 5.317 -0.227 2
1 88 . 1 1 A 14 14 LYS C C 14 175.193 174.866 0.327 2
1 89 . 1 1 A 14 14 LYS CA C 14 54.801 54.819 -0.018 2
1 90 . 1 1 A 14 14 LYS CB C 14 36.002 36.398 -0.396 2
1 94 . 1 1 A 14 14 LYS N N 14 124.729 124.652 0.077 2
1 95 . 1 1 A 15 15 CYS H H 15 9.365 9.395 -0.030 2
1 96 . 1 1 A 15 15 CYS HA H 15 4.546 4.712 -0.166 2
1 99 . 1 1 A 15 15 CYS C C 15 176.812 176.133 0.679 2
1 100 . 1 1 A 15 15 CYS CA C 15 59.571 59.117 0.454 2
1 101 . 1 1 A 15 15 CYS CB C 15 29.635 28.894 0.741 2
1 102 . 1 1 A 15 15 CYS N N 15 127.942 124.540 3.402 2
1 103 . 1 1 A 16 16 ASN HA H 16 4.528 4.918 -0.390 2
1 108 . 1 1 A 16 16 ASN C C 16 175.388 176.135 -0.747 2
1 109 . 1 1 A 16 16 ASN CA C 16 55.505 53.391 2.114 2
1 110 . 1 1 A 16 16 ASN CB C 16 38.303 38.564 -0.261 2
1 112 . 1 1 A 17 17 GLU H H 17 8.730 7.640 1.090 2
1 113 . 1 1 A 17 17 GLU HA H 17 4.205 4.233 -0.028 2
1 118 . 1 1 A 17 17 GLU C C 17 177.141 178.100 -0.958 2
1 119 . 1 1 A 17 17 GLU CA C 17 58.686 57.935 0.751 2
1 120 . 1 1 A 17 17 GLU CB C 17 29.296 30.267 -0.971 2
1 122 . 1 1 A 17 17 GLU N N 17 120.847 118.880 1.967 2
1 123 . 1 1 A 18 18 CYS H H 18 7.941 8.124 -0.183 2
1 124 . 1 1 A 18 18 CYS HA H 18 5.174 4.699 0.475 2
1 127 . 1 1 A 18 18 CYS C C 18 176.186 175.336 0.850 2
1 128 . 1 1 A 18 18 CYS CA C 18 58.326 59.753 -1.427 2
1 129 . 1 1 A 18 18 CYS CB C 18 32.423 29.836 2.587 2
1 130 . 1 1 A 18 18 CYS N N 18 114.765 114.982 -0.217 2
1 131 . 1 1 A 19 19 GLY H H 19 8.207 8.024 0.183 2
1 132 . 1 1 A 19 19 GLY HA2 H 19 3.735 4.083 -0.348 2
1 133 . 1 1 A 19 19 GLY HA3 H 19 4.246 4.091 0.155 2
1 134 . 1 1 A 19 19 GLY C C 19 173.563 174.191 -0.628 2
1 135 . 1 1 A 19 19 GLY CA C 19 46.287 45.216 1.071 2
1 136 . 1 1 A 19 19 GLY N N 19 113.536 109.947 3.589 2
1 137 . 1 1 A 20 20 LYS H H 20 7.904 7.892 0.012 2
1 138 . 1 1 A 20 20 LYS HA H 20 3.984 4.523 -0.539 2
1 147 . 1 1 A 20 20 LYS C C 20 174.306 175.518 -1.212 2
1 148 . 1 1 A 20 20 LYS CA C 20 58.283 54.794 3.489 2
1 149 . 1 1 A 20 20 LYS CB C 20 33.875 34.241 -0.366 2
1 153 . 1 1 A 20 20 LYS N N 20 122.594 119.122 3.472 2
1 154 . 1 1 A 21 21 VAL H H 21 7.635 8.213 -0.577 2
1 155 . 1 1 A 21 21 VAL HA H 21 4.756 4.972 -0.216 2
1 163 . 1 1 A 21 21 VAL C C 21 175.180 174.258 0.922 2
1 164 . 1 1 A 21 21 VAL CA C 21 60.394 60.475 -0.081 2
1 165 . 1 1 A 21 21 VAL CB C 21 33.875 35.061 -1.186 2
1 168 . 1 1 A 21 21 VAL N N 21 117.274 121.062 -3.788 2
1 169 . 1 1 A 22 22 PHE H H 22 8.752 9.097 -0.345 2
1 170 . 1 1 A 22 22 PHE HA H 22 4.895 4.957 -0.062 2
1 178 . 1 1 A 22 22 PHE C C 22 175.688 175.605 0.083 2
1 179 . 1 1 A 22 22 PHE CA C 22 56.949 56.504 0.445 2
1 180 . 1 1 A 22 22 PHE CB C 22 43.525 43.539 -0.014 2
1 186 . 1 1 A 22 22 PHE N N 22 121.527 123.742 -2.215 2
1 187 . 1 1 A 23 23 THR H H 23 9.516 8.811 0.705 2
1 188 . 1 1 A 23 23 THR HA H 23 4.572 4.442 0.130 2
1 193 . 1 1 A 23 23 THR C C 23 174.880 173.883 0.996 2
1 194 . 1 1 A 23 23 THR CA C 23 63.272 63.918 -0.646 2
1 195 . 1 1 A 23 23 THR CB C 23 69.636 69.961 -0.325 2
1 197 . 1 1 A 23 23 THR N N 23 111.253 116.511 -5.258 2
1 198 . 1 1 A 24 24 GLN H H 24 7.074 7.628 -0.554 2
1 199 . 1 1 A 24 24 GLN HA H 24 4.531 4.195 0.336 2
1 206 . 1 1 A 24 24 GLN C C 24 175.849 175.445 0.404 2
1 207 . 1 1 A 24 24 GLN CA C 24 54.002 53.855 0.147 2
1 208 . 1 1 A 24 24 GLN CB C 24 32.066 31.275 0.791 2
1 210 . 1 1 A 24 24 GLN N N 24 115.274 118.008 -2.734 2
1 212 . 1 1 A 25 25 ASN HA H 25 3.618 4.111 -0.493 2
1 217 . 1 1 A 25 25 ASN CA C 25 56.193 56.025 0.168 2
1 218 . 1 1 A 25 25 ASN CB C 25 38.289 37.987 0.302 2
1 219 . 1 1 A 25 25 ASN N N 25 119.000 121.286 -2.286 2
1 221 . 1 1 A 26 26 SER HA H 26 4.045 4.028 0.017 2
1 224 . 1 1 A 26 26 SER C C 26 177.179 176.772 0.407 2
1 225 . 1 1 A 26 26 SER CA C 26 60.858 61.956 -1.098 2
1 226 . 1 1 A 26 26 SER CB C 26 61.697 62.668 -0.971 2
1 227 . 1 1 A 26 26 SER N N 26 116.000 115.200 0.800 2
1 228 . 1 1 A 27 27 HIS H H 27 6.761 7.754 -0.993 2
1 229 . 1 1 A 27 27 HIS HA H 27 4.413 4.219 0.194 2
1 234 . 1 1 A 27 27 HIS C C 27 178.164 177.354 0.810 2
1 235 . 1 1 A 27 27 HIS CA C 27 57.067 58.800 -1.733 2
1 236 . 1 1 A 27 27 HIS CB C 27 31.815 29.746 2.069 2
1 239 . 1 1 A 27 27 HIS N N 27 121.682 119.055 2.627 2
1 240 . 1 1 A 28 28 LEU H H 28 6.960 7.684 -0.724 2
1 241 . 1 1 A 28 28 LEU HA H 28 3.190 2.984 0.206 2
1 251 . 1 1 A 28 28 LEU C C 28 177.255 178.136 -0.881 2
1 252 . 1 1 A 28 28 LEU CA C 28 57.687 57.423 0.264 2
1 253 . 1 1 A 28 28 LEU CB C 28 40.420 41.393 -0.973 2
1 257 . 1 1 A 28 28 LEU N N 28 122.330 120.539 1.791 2
1 258 . 1 1 A 29 29 ALA H H 29 8.293 8.604 -0.311 2
1 259 . 1 1 A 29 29 ALA HA H 29 3.936 3.975 -0.039 2
1 263 . 1 1 A 29 29 ALA C C 29 180.550 179.623 0.927 2
1 264 . 1 1 A 29 29 ALA CA C 29 55.247 55.533 -0.286 2
1 265 . 1 1 A 29 29 ALA CB C 29 17.769 18.294 -0.525 2
1 266 . 1 1 A 29 29 ALA N N 29 121.027 121.093 -0.066 2
1 267 . 1 1 A 30 30 ARG H H 30 7.470 8.044 -0.574 2
1 268 . 1 1 A 30 30 ARG HA H 30 3.986 4.061 -0.075 2
1 275 . 1 1 A 30 30 ARG C C 30 178.649 178.439 0.210 2
1 276 . 1 1 A 30 30 ARG CA C 30 58.817 58.893 -0.076 2
1 277 . 1 1 A 30 30 ARG CB C 30 30.266 29.876 0.390 2
1 280 . 1 1 A 30 30 ARG N N 30 116.540 117.308 -0.768 2
1 281 . 1 1 A 31 31 HIS H H 31 7.639 7.986 -0.347 2
1 282 . 1 1 A 31 31 HIS HA H 31 4.238 4.186 0.052 2
1 287 . 1 1 A 31 31 HIS C C 31 176.034 176.822 -0.788 2
1 288 . 1 1 A 31 31 HIS CA C 31 58.663 59.731 -1.068 2
1 289 . 1 1 A 31 31 HIS CB C 31 28.646 29.696 -1.050 2
1 292 . 1 1 A 31 31 HIS N N 31 119.387 120.068 -0.681 2
1 293 . 1 1 A 32 32 ARG H H 32 8.158 8.146 0.012 2
1 294 . 1 1 A 32 32 ARG HA H 32 3.677 3.894 -0.217 2
1 301 . 1 1 A 32 32 ARG C C 32 177.576 178.892 -1.316 2
1 302 . 1 1 A 32 32 ARG CA C 32 59.884 59.598 0.286 2
1 303 . 1 1 A 32 32 ARG CB C 32 29.827 29.953 -0.126 2
1 306 . 1 1 A 32 32 ARG N N 32 115.483 117.411 -1.928 2
1 307 . 1 1 A 33 33 ARG H H 33 7.069 7.986 -0.917 2
1 308 . 1 1 A 33 33 ARG HA H 33 4.130 4.079 0.051 2
1 315 . 1 1 A 33 33 ARG C C 33 178.283 178.490 -0.207 2
1 316 . 1 1 A 33 33 ARG CA C 33 58.201 59.070 -0.869 2
1 317 . 1 1 A 33 33 ARG CB C 33 29.938 29.822 0.116 2
1 320 . 1 1 A 33 33 ARG N N 33 116.839 119.571 -2.732 2
1 321 . 1 1 A 34 34 VAL H H 34 7.920 8.096 -0.176 2
1 322 . 1 1 A 34 34 VAL HA H 34 3.904 3.746 0.158 2
1 330 . 1 1 A 34 34 VAL C C 34 177.122 177.390 -0.268 2
1 331 . 1 1 A 34 34 VAL CA C 34 63.913 65.355 -1.442 2
1 332 . 1 1 A 34 34 VAL CB C 34 31.126 31.106 0.020 2
1 335 . 1 1 A 34 34 VAL N N 34 116.036 117.019 -0.983 2
1 336 . 1 1 A 35 35 HIS H H 35 7.284 7.838 -0.554 2
1 337 . 1 1 A 35 35 HIS HA H 35 4.899 4.470 0.429 2
1 342 . 1 1 A 35 35 HIS C C 35 175.530 175.526 0.004 2
1 343 . 1 1 A 35 35 HIS CA C 35 54.910 57.439 -2.529 2
1 344 . 1 1 A 35 35 HIS CB C 35 28.775 29.674 -0.899 2
1 347 . 1 1 A 35 35 HIS N N 35 117.360 119.774 -2.414 2
1 348 . 1 1 A 36 36 THR H H 36 7.787 7.715 0.072 2
1 349 . 1 1 A 36 36 THR HA H 36 4.408 4.418 -0.010 2
1 354 . 1 1 A 36 36 THR C C 36 175.489 174.547 0.942 2
1 355 . 1 1 A 36 36 THR CA C 36 62.176 61.475 0.701 2
1 356 . 1 1 A 36 36 THR CB C 36 69.788 69.377 0.411 2
1 358 . 1 1 A 36 36 THR N N 36 111.920 110.813 1.107 2
1 359 . 1 1 A 37 37 GLY H H 37 8.364 8.290 0.074 2
1 360 . 1 1 A 37 37 GLY HA2 H 37 3.990 4.042 -0.052 2
1 361 . 1 1 A 37 37 GLY HA3 H 37 3.990 4.047 -0.057 2
1 362 . 1 1 A 37 37 GLY C C 37 174.709 174.334 0.375 2
1 363 . 1 1 A 37 37 GLY CA C 37 45.510 45.865 -0.355 2
1 364 . 1 1 A 37 37 GLY N N 37 111.087 112.063 -0.976 2
1 365 . 1 1 A 38 38 GLY H H 38 8.279 8.220 0.059 2
1 366 . 1 1 A 38 38 GLY HA2 H 38 3.940 4.035 -0.095 2
1 367 . 1 1 A 38 38 GLY HA3 H 38 3.940 4.040 -0.100 2
1 368 . 1 1 A 38 38 GLY C C 38 173.722 173.415 0.308 2
1 369 . 1 1 A 38 38 GLY CA C 38 45.104 45.831 -0.727 2
1 370 . 1 1 A 38 38 GLY N N 38 108.489 108.230 0.259 2
1 371 . 1 1 A 39 39 LYS H H 39 8.134 8.260 -0.126 2
1 372 . 1 1 A 39 39 LYS HA H 39 4.631 4.593 0.039 2
1 381 . 1 1 A 39 39 LYS C C 39 174.669 175.386 -0.717 2
1 382 . 1 1 A 39 39 LYS CA C 39 54.141 54.307 -0.166 2
1 383 . 1 1 A 39 39 LYS CB C 39 32.551 33.354 -0.803 2
1 387 . 1 1 A 39 39 LYS N N 39 121.858 120.562 1.296 2
1 388 . 1 1 A 40 40 PRO HA H 40 4.469 4.586 -0.117 2
1 395 . 1 1 A 40 40 PRO CA C 40 63.236 63.298 -0.062 2
1 396 . 1 1 A 40 40 PRO CB C 40 32.213 31.794 0.419 2
1 399 . 1 1 A 42 42 GLY HA2 H 42 4.162 4.120 0.042 2
1 400 . 1 1 A 42 42 GLY HA3 H 42 4.111 4.122 -0.011 2
1 401 . 1 1 A 42 42 GLY CA C 42 44.661 45.776 -1.115 2
1 402 . 1 1 A 43 43 PRO HA H 43 4.476 4.505 -0.029 2
1 409 . 1 1 A 43 43 PRO CA C 43 63.406 63.755 -0.349 2
1 410 . 1 1 A 43 43 PRO CB C 43 32.308 31.745 0.563 2
stop_
save_