data_15537_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15537
_Entry.PDB_ID 2JWU
_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 10 . 1 1 1 A 2 2 THR H H 2 8.719 8.477 0.242 1
1 11 . 1 1 1 A 2 2 THR HA H 2 4.251 4.325 -0.074 1
1 16 . 1 1 1 A 2 2 THR C C 2 172.951 173.752 -0.801 1
1 17 . 1 1 1 A 2 2 THR CA C 2 63.748 63.114 0.634 1
1 18 . 1 1 1 A 2 2 THR CB C 2 68.568 68.743 -0.175 1
1 20 . 1 1 1 A 2 2 THR N N 2 123.894 120.079 3.815 1
1 21 . 1 1 1 A 3 3 TYR H H 3 8.841 9.495 -0.654 1
1 22 . 1 1 1 A 3 3 TYR HA H 3 5.289 5.164 0.125 1
1 29 . 1 1 1 A 3 3 TYR C C 3 173.975 175.561 -1.586 1
1 30 . 1 1 1 A 3 3 TYR CA C 3 57.850 57.126 0.724 1
1 31 . 1 1 1 A 3 3 TYR CB C 3 43.043 39.988 3.055 1
1 36 . 1 1 1 A 3 3 TYR N N 3 127.370 127.397 -0.027 1
1 37 . 1 1 1 A 4 4 LYS H H 4 8.791 8.736 0.055 1
1 38 . 1 1 1 A 4 4 LYS HA H 4 5.344 5.456 -0.112 1
1 43 . 1 1 1 A 4 4 LYS C C 4 173.055 175.531 -2.476 1
1 44 . 1 1 1 A 4 4 LYS CA C 4 54.537 55.096 -0.559 1
1 45 . 1 1 1 A 4 4 LYS CB C 4 35.881 35.391 0.490 1
1 48 . 1 1 1 A 4 4 LYS N N 4 121.038 123.181 -2.143 1
1 49 . 1 1 1 A 5 5 LEU H H 5 9.005 8.750 0.255 1
1 50 . 1 1 1 A 5 5 LEU HA H 5 4.889 5.238 -0.349 1
1 60 . 1 1 1 A 5 5 LEU C C 5 174.789 174.799 -0.010 1
1 61 . 1 1 1 A 5 5 LEU CA C 5 52.566 53.578 -1.012 1
1 62 . 1 1 1 A 5 5 LEU CB C 5 44.174 45.254 -1.080 1
1 65 . 1 1 1 A 5 5 LEU N N 5 126.547 124.062 2.485 1
1 66 . 1 1 1 A 6 6 ILE H H 6 9.104 8.580 0.524 1
1 67 . 1 1 1 A 6 6 ILE HA H 6 4.970 4.887 0.083 1
1 71 . 1 1 1 A 6 6 ILE C C 6 174.690 174.119 0.571 1
1 72 . 1 1 1 A 6 6 ILE CA C 6 60.313 59.089 1.224 1
1 73 . 1 1 1 A 6 6 ILE CB C 6 38.652 41.144 -2.492 1
1 76 . 1 1 1 A 6 6 ILE N N 6 126.502 121.818 4.684 1
1 77 . 1 1 1 A 7 7 LEU H H 7 8.907 9.751 -0.844 1
1 78 . 1 1 1 A 7 7 LEU HA H 7 4.452 5.628 -1.176 1
1 88 . 1 1 1 A 7 7 LEU C C 7 174.573 175.694 -1.121 1
1 89 . 1 1 1 A 7 7 LEU CA C 7 54.010 52.967 1.043 1
1 90 . 1 1 1 A 7 7 LEU CB C 7 41.072 44.383 -3.311 1
1 93 . 1 1 1 A 7 7 LEU N N 7 126.037 127.612 -1.575 1
1 94 . 1 1 1 A 8 8 ASN H H 8 8.941 8.633 0.308 1
1 95 . 1 1 1 A 8 8 ASN HA H 8 4.943 5.258 -0.315 1
1 100 . 1 1 1 A 8 8 ASN C C 8 174.323 174.792 -0.469 1
1 101 . 1 1 1 A 8 8 ASN CA C 8 51.785 52.085 -0.300 1
1 102 . 1 1 1 A 8 8 ASN CB C 8 38.008 39.603 -1.595 1
1 103 . 1 1 1 A 8 8 ASN N N 8 125.436 122.362 3.074 1
1 105 . 1 1 1 A 9 9 LEU H H 9 7.636 8.307 -0.671 1
1 106 . 1 1 1 A 9 9 LEU HA H 9 4.548 4.590 -0.042 1
1 113 . 1 1 1 A 9 9 LEU C C 9 177.230 178.522 -1.292 1
1 114 . 1 1 1 A 9 9 LEU CA C 9 53.502 53.847 -0.345 1
1 115 . 1 1 1 A 9 9 LEU CB C 9 41.569 42.545 -0.976 1
1 118 . 1 1 1 A 9 9 LEU N N 9 121.638 125.378 -3.740 1
1 119 . 1 1 1 A 10 10 LYS H H 10 9.138 8.722 0.416 1
1 120 . 1 1 1 A 10 10 LYS HA H 10 3.964 4.049 -0.085 1
1 127 . 1 1 1 A 10 10 LYS C C 10 179.119 177.395 1.724 1
1 128 . 1 1 1 A 10 10 LYS CA C 10 59.786 58.326 1.460 1
1 129 . 1 1 1 A 10 10 LYS CB C 10 31.825 32.865 -1.040 1
1 133 . 1 1 1 A 10 10 LYS N N 10 120.948 122.852 -1.904 1
1 134 . 1 1 1 A 11 11 GLN H H 11 8.432 7.902 0.530 1
1 135 . 1 1 1 A 11 11 GLN HA H 11 4.325 4.566 -0.241 1
1 140 . 1 1 1 A 11 11 GLN C C 11 175.294 174.873 0.421 1
1 141 . 1 1 1 A 11 11 GLN CA C 11 55.903 55.161 0.742 1
1 142 . 1 1 1 A 11 11 GLN CB C 11 29.207 29.031 0.176 1
1 144 . 1 1 1 A 11 11 GLN N N 11 113.252 114.301 -1.049 1
1 145 . 1 1 1 A 12 12 ALA H H 12 7.079 7.552 -0.473 1
1 146 . 1 1 1 A 12 12 ALA HA H 12 4.318 4.579 -0.261 1
1 150 . 1 1 1 A 12 12 ALA C C 12 174.190 175.773 -1.583 1
1 151 . 1 1 1 A 12 12 ALA CA C 12 52.507 52.153 0.354 1
1 152 . 1 1 1 A 12 12 ALA CB C 12 21.479 20.151 1.328 1
1 153 . 1 1 1 A 12 12 ALA N N 12 120.435 121.401 -0.966 1
1 154 . 1 1 1 A 13 13 LYS H H 13 8.156 8.932 -0.776 1
1 155 . 1 1 1 A 13 13 LYS HA H 13 5.197 4.707 0.490 1
1 162 . 1 1 1 A 13 13 LYS C C 13 176.127 175.252 0.875 1
1 163 . 1 1 1 A 13 13 LYS CA C 13 55.036 55.978 -0.942 1
1 164 . 1 1 1 A 13 13 LYS CB C 13 33.890 33.173 0.717 1
1 168 . 1 1 1 A 13 13 LYS N N 13 120.644 123.485 -2.841 1
1 169 . 1 1 1 A 14 14 GLU H H 14 8.545 8.915 -0.370 1
1 170 . 1 1 1 A 14 14 GLU HA H 14 4.629 5.369 -0.740 1
1 175 . 1 1 1 A 14 14 GLU C C 14 173.875 175.246 -1.371 1
1 176 . 1 1 1 A 14 14 GLU CA C 14 54.680 54.685 -0.005 1
1 177 . 1 1 1 A 14 14 GLU CB C 14 34.319 33.426 0.893 1
1 179 . 1 1 1 A 14 14 GLU N N 14 123.133 125.857 -2.724 1
1 180 . 1 1 1 A 15 15 GLU H H 15 8.532 8.922 -0.390 1
1 181 . 1 1 1 A 15 15 GLU HA H 15 5.465 5.233 0.232 1
1 186 . 1 1 1 A 15 15 GLU C C 15 175.284 175.245 0.039 1
1 188 . 1 1 1 A 15 15 GLU N N 15 120.437 125.822 -5.385 1
1 189 . 1 1 1 A 16 16 ALA H H 16 9.161 8.763 0.398 1
1 190 . 1 1 1 A 16 16 ALA HA H 16 4.731 4.854 -0.123 1
1 194 . 1 1 1 A 16 16 ALA C C 16 174.936 175.082 -0.146 1
1 195 . 1 1 1 A 16 16 ALA CA C 16 51.278 51.266 0.012 1
1 196 . 1 1 1 A 16 16 ALA CB C 16 22.037 23.573 -1.536 1
1 197 . 1 1 1 A 16 16 ALA N N 16 126.588 122.614 3.974 1
1 198 . 1 1 1 A 17 17 ILE H H 17 8.387 8.481 -0.094 1
1 199 . 1 1 1 A 17 17 ILE HA H 17 5.325 4.992 0.333 1
1 206 . 1 1 1 A 17 17 ILE C C 17 176.066 174.988 1.078 1
1 210 . 1 1 1 A 17 17 ILE N N 17 117.620 118.879 -1.259 1
1 211 . 1 1 1 A 18 18 LYS H H 18 9.152 9.672 -0.520 1
1 212 . 1 1 1 A 18 18 LYS HA H 18 4.385 4.959 -0.574 1
1 221 . 1 1 1 A 18 18 LYS C C 18 173.587 174.692 -1.105 1
1 222 . 1 1 1 A 18 18 LYS CA C 18 55.084 54.650 0.434 1
1 223 . 1 1 1 A 18 18 LYS CB C 18 36.862 36.272 0.590 1
1 227 . 1 1 1 A 18 18 LYS N N 18 125.563 125.737 -0.174 1
1 228 . 1 1 1 A 19 19 GLU H H 19 8.337 8.876 -0.539 1
1 229 . 1 1 1 A 19 19 GLU HA H 19 4.907 4.886 0.021 1
1 234 . 1 1 1 A 19 19 GLU C C 19 175.687 175.455 0.232 1
1 235 . 1 1 1 A 19 19 GLU CA C 19 55.679 55.874 -0.195 1
1 236 . 1 1 1 A 19 19 GLU CB C 19 29.158 30.862 -1.704 1
1 238 . 1 1 1 A 19 19 GLU N N 19 127.836 123.678 4.158 1
1 239 . 1 1 1 A 20 20 LEU H H 20 8.710 8.763 -0.053 1
1 240 . 1 1 1 A 20 20 LEU HA H 20 4.798 4.711 0.087 1
1 247 . 1 1 1 A 20 20 LEU C C 20 177.829 176.420 1.409 1
1 248 . 1 1 1 A 20 20 LEU CA C 20 53.519 53.366 0.153 1
1 249 . 1 1 1 A 20 20 LEU CB C 20 47.902 44.905 2.997 1
1 252 . 1 1 1 A 20 20 LEU N N 20 127.240 126.020 1.220 1
1 253 . 1 1 1 A 21 21 VAL H H 21 8.236 8.587 -0.351 1
1 254 . 1 1 1 A 21 21 VAL HA H 21 3.947 4.313 -0.366 1
1 259 . 1 1 1 A 21 21 VAL C C 21 175.301 175.324 -0.023 1
1 260 . 1 1 1 A 21 21 VAL CA C 21 64.879 62.259 2.620 1
1 261 . 1 1 1 A 21 21 VAL CB C 21 32.290 33.142 -0.852 1
1 263 . 1 1 1 A 21 21 VAL N N 21 116.513 118.845 -2.332 1
1 264 . 1 1 1 A 22 22 ASP H H 22 7.071 8.004 -0.933 1
1 265 . 1 1 1 A 22 22 ASP HA H 22 4.028 5.071 -1.043 1
1 268 . 1 1 1 A 22 22 ASP C C 22 172.221 175.598 -3.377 1
1 269 . 1 1 1 A 22 22 ASP CA C 22 52.983 52.770 0.213 1
1 270 . 1 1 1 A 22 22 ASP CB C 22 42.107 44.055 -1.948 1
1 271 . 1 1 1 A 22 22 ASP N N 22 115.040 121.064 -6.024 1
1 272 . 1 1 1 A 23 23 ALA H H 23 8.332 8.867 -0.535 1
1 273 . 1 1 1 A 23 23 ALA HA H 23 4.136 4.036 0.100 1
1 277 . 1 1 1 A 23 23 ALA C C 23 179.560 179.531 0.029 1
1 278 . 1 1 1 A 23 23 ALA CA C 23 55.215 55.000 0.215 1
1 279 . 1 1 1 A 23 23 ALA CB C 23 17.337 18.474 -1.137 1
1 280 . 1 1 1 A 23 23 ALA N N 23 121.322 124.416 -3.094 1
1 281 . 1 1 1 A 24 24 ALA H H 24 8.168 8.109 0.059 1
1 282 . 1 1 1 A 24 24 ALA HA H 24 4.000 4.000 0.000 1
1 286 . 1 1 1 A 24 24 ALA C C 24 181.170 179.450 1.720 1
1 287 . 1 1 1 A 24 24 ALA CA C 24 54.771 55.227 -0.456 1
1 288 . 1 1 1 A 24 24 ALA CB C 24 17.274 18.881 -1.607 1
1 289 . 1 1 1 A 24 24 ALA N N 24 122.440 120.135 2.305 1
1 290 . 1 1 1 A 25 25 THR H H 25 8.444 7.921 0.523 1
1 291 . 1 1 1 A 25 25 THR HA H 25 3.924 3.885 0.039 1
1 296 . 1 1 1 A 25 25 THR C C 25 176.695 176.256 0.439 1
1 297 . 1 1 1 A 25 25 THR CA C 25 66.636 66.196 0.440 1
1 298 . 1 1 1 A 25 25 THR CB C 25 68.177 68.570 -0.393 1
1 300 . 1 1 1 A 25 25 THR N N 25 117.219 113.371 3.848 1
1 301 . 1 1 1 A 26 26 ALA H H 26 7.755 7.845 -0.090 1
1 302 . 1 1 1 A 26 26 ALA HA H 26 3.427 3.615 -0.188 1
1 306 . 1 1 1 A 26 26 ALA C C 26 176.844 178.974 -2.130 1
1 307 . 1 1 1 A 26 26 ALA CA C 26 55.025 55.359 -0.334 1
1 308 . 1 1 1 A 26 26 ALA CB C 26 17.772 17.483 0.289 1
1 309 . 1 1 1 A 26 26 ALA N N 26 125.147 123.043 2.104 1
1 310 . 1 1 1 A 27 27 GLU H H 27 8.412 9.111 -0.699 1
1 311 . 1 1 1 A 27 27 GLU HA H 27 2.758 3.638 -0.880 1
1 316 . 1 1 1 A 27 27 GLU C C 27 177.417 178.600 -1.183 1
1 317 . 1 1 1 A 27 27 GLU CA C 27 59.932 59.188 0.744 1
1 318 . 1 1 1 A 27 27 GLU CB C 27 28.943 29.092 -0.149 1
1 320 . 1 1 1 A 27 27 GLU N N 27 119.203 118.526 0.677 1
1 321 . 1 1 1 A 28 28 LYS H H 28 7.013 7.692 -0.679 1
1 322 . 1 1 1 A 28 28 LYS HA H 28 3.626 4.015 -0.389 1
1 329 . 1 1 1 A 28 28 LYS C C 28 178.802 178.528 0.274 1
1 330 . 1 1 1 A 28 28 LYS CA C 28 59.572 58.766 0.806 1
1 331 . 1 1 1 A 28 28 LYS CB C 28 32.290 32.263 0.027 1
1 335 . 1 1 1 A 28 28 LYS N N 28 116.415 119.282 -2.867 1
1 336 . 1 1 1 A 29 29 TYR H H 29 7.815 8.315 -0.500 1
1 337 . 1 1 1 A 29 29 TYR HA H 29 3.841 4.233 -0.392 1
1 344 . 1 1 1 A 29 29 TYR C C 29 178.466 177.494 0.972 1
1 345 . 1 1 1 A 29 29 TYR CA C 29 61.703 61.581 0.122 1
1 346 . 1 1 1 A 29 29 TYR CB C 29 38.193 39.027 -0.834 1
1 351 . 1 1 1 A 29 29 TYR N N 29 119.360 120.559 -1.199 1
1 352 . 1 1 1 A 30 30 PHE H H 30 8.979 9.066 -0.087 1
1 353 . 1 1 1 A 30 30 PHE HA H 30 4.451 4.386 0.065 1
1 360 . 1 1 1 A 30 30 PHE C C 30 178.342 177.952 0.390 1
1 361 . 1 1 1 A 30 30 PHE CA C 30 59.395 62.078 -2.683 1
1 362 . 1 1 1 A 30 30 PHE CB C 30 37.451 38.371 -0.920 1
1 367 . 1 1 1 A 30 30 PHE N N 30 119.088 118.219 0.869 1
1 368 . 1 1 1 A 31 31 LYS H H 31 8.464 7.957 0.507 1
1 369 . 1 1 1 A 31 31 LYS HA H 31 3.983 4.304 -0.321 1
1 376 . 1 1 1 A 31 31 LYS C C 31 179.506 179.395 0.111 1
1 377 . 1 1 1 A 31 31 LYS CA C 31 60.031 59.780 0.251 1
1 378 . 1 1 1 A 31 31 LYS CB C 31 31.236 32.324 -1.088 1
1 381 . 1 1 1 A 31 31 LYS N N 31 122.220 120.455 1.765 1
1 382 . 1 1 1 A 32 32 LEU H H 32 7.314 7.908 -0.594 1
1 383 . 1 1 1 A 32 32 LEU HA H 32 3.990 3.973 0.017 1
1 390 . 1 1 1 A 32 32 LEU C C 32 179.565 178.953 0.612 1
1 391 . 1 1 1 A 32 32 LEU CA C 32 58.069 57.798 0.271 1
1 392 . 1 1 1 A 32 32 LEU CB C 32 41.329 41.057 0.272 1
1 395 . 1 1 1 A 32 32 LEU N N 32 120.642 119.502 1.140 1
1 396 . 1 1 1 A 33 33 TYR H H 33 8.018 8.174 -0.156 1
1 397 . 1 1 1 A 33 33 TYR HA H 33 3.999 4.105 -0.106 1
1 405 . 1 1 1 A 33 33 TYR C C 33 177.598 177.865 -0.267 1
1 406 . 1 1 1 A 33 33 TYR CA C 33 61.107 61.871 -0.764 1
1 407 . 1 1 1 A 33 33 TYR CB C 33 39.081 38.817 0.264 1
1 412 . 1 1 1 A 33 33 TYR N N 33 122.222 119.381 2.841 1
1 413 . 1 1 1 A 34 34 ALA H H 34 8.794 8.643 0.151 1
1 414 . 1 1 1 A 34 34 ALA HA H 34 3.783 4.189 -0.406 1
1 418 . 1 1 1 A 34 34 ALA C C 34 179.307 179.682 -0.375 1
1 419 . 1 1 1 A 34 34 ALA CA C 34 54.459 55.041 -0.582 1
1 420 . 1 1 1 A 34 34 ALA CB C 34 18.376 18.095 0.281 1
1 421 . 1 1 1 A 34 34 ALA N N 34 119.675 121.627 -1.952 1
1 422 . 1 1 1 A 35 35 ASN H H 35 8.156 8.116 0.040 1
1 423 . 1 1 1 A 35 35 ASN HA H 35 4.489 4.502 -0.013 1
1 426 . 1 1 1 A 35 35 ASN C C 35 177.869 176.858 1.011 1
1 427 . 1 1 1 A 35 35 ASN CA C 35 56.410 55.452 0.958 1
1 428 . 1 1 1 A 35 35 ASN CB C 35 38.339 38.524 -0.185 1
1 429 . 1 1 1 A 35 35 ASN N N 35 117.882 117.264 0.618 1
1 430 . 1 1 1 A 36 36 ALA H H 36 7.804 7.461 0.343 1
1 431 . 1 1 1 A 36 36 ALA HA H 36 4.087 4.287 -0.200 1
1 435 . 1 1 1 A 36 36 ALA C C 36 178.579 179.155 -0.576 1
1 436 . 1 1 1 A 36 36 ALA CA C 36 53.893 54.458 -0.565 1
1 437 . 1 1 1 A 36 36 ALA CB C 36 17.782 19.425 -1.643 1
1 438 . 1 1 1 A 36 36 ALA N N 36 121.244 121.865 -0.621 1
1 439 . 1 1 1 A 37 37 LYS H H 37 7.380 8.217 -0.837 1
1 440 . 1 1 1 A 37 37 LYS HA H 37 4.164 3.863 0.301 1
1 447 . 1 1 1 A 37 37 LYS C C 37 175.831 176.742 -0.911 1
1 448 . 1 1 1 A 37 37 LYS CA C 37 56.020 59.170 -3.150 1
1 449 . 1 1 1 A 37 37 LYS CB C 37 32.876 31.895 0.981 1
1 453 . 1 1 1 A 37 37 LYS N N 37 116.585 116.898 -0.313 1
1 454 . 1 1 1 A 38 38 THR H H 38 7.891 7.704 0.187 1
1 455 . 1 1 1 A 38 38 THR HA H 38 4.144 4.719 -0.575 1
1 460 . 1 1 1 A 38 38 THR C C 38 172.820 173.909 -1.089 1
1 461 . 1 1 1 A 38 38 THR CA C 38 61.719 60.565 1.154 1
1 462 . 1 1 1 A 38 38 THR CB C 38 68.688 72.109 -3.421 1
1 464 . 1 1 1 A 38 38 THR N N 38 113.375 109.334 4.041 1
1 465 . 1 1 1 A 39 39 VAL H H 39 7.939 8.540 -0.601 1
1 466 . 1 1 1 A 39 39 VAL HA H 39 4.148 4.582 -0.434 1
1 471 . 1 1 1 A 39 39 VAL C C 39 174.525 175.473 -0.948 1
1 472 . 1 1 1 A 39 39 VAL CA C 39 62.125 61.343 0.782 1
1 473 . 1 1 1 A 39 39 VAL CB C 39 32.720 33.022 -0.302 1
1 475 . 1 1 1 A 39 39 VAL N N 39 120.564 120.247 0.317 1
1 476 . 1 1 1 A 40 40 GLU H H 40 8.586 8.796 -0.210 1
1 477 . 1 1 1 A 40 40 GLU HA H 40 4.533 5.026 -0.493 1
1 482 . 1 1 1 A 40 40 GLU C C 40 175.158 175.178 -0.020 1
1 483 . 1 1 1 A 40 40 GLU CA C 40 55.211 55.083 0.128 1
1 484 . 1 1 1 A 40 40 GLU CB C 40 31.130 31.459 -0.329 1
1 486 . 1 1 1 A 40 40 GLU N N 40 126.113 122.181 3.932 1
1 487 . 1 1 1 A 41 41 GLY H H 41 8.042 8.539 -0.497 1
1 488 . 1 1 1 A 41 41 GLY HA2 H 41 4.059 4.070 -0.011 1
1 489 . 1 1 1 A 41 41 GLY HA3 H 41 3.533 4.133 -0.600 1
1 490 . 1 1 1 A 41 41 GLY C C 41 174.994 173.202 1.792 1
1 491 . 1 1 1 A 41 41 GLY CA C 41 45.300 44.447 0.853 1
1 492 . 1 1 1 A 41 41 GLY N N 41 107.727 110.501 -2.774 1
1 493 . 1 1 1 A 42 42 VAL H H 42 8.349 8.398 -0.049 1
1 494 . 1 1 1 A 42 42 VAL HA H 42 4.303 4.215 0.088 1
1 499 . 1 1 1 A 42 42 VAL C C 42 176.649 175.791 0.858 1
1 500 . 1 1 1 A 42 42 VAL CA C 42 62.243 61.898 0.345 1
1 501 . 1 1 1 A 42 42 VAL CB C 42 33.763 32.708 1.055 1
1 503 . 1 1 1 A 42 42 VAL N N 42 121.379 119.039 2.340 1
1 504 . 1 1 1 A 43 43 TRP H H 43 9.250 9.149 0.101 1
1 505 . 1 1 1 A 43 43 TRP HA H 43 5.104 5.507 -0.403 1
1 514 . 1 1 1 A 43 43 TRP C C 43 177.089 175.596 1.493 1
1 515 . 1 1 1 A 43 43 TRP CA C 43 57.991 55.669 2.322 1
1 516 . 1 1 1 A 43 43 TRP CB C 43 29.904 31.434 -1.530 1
1 521 . 1 1 1 A 43 43 TRP N N 43 130.568 122.899 7.669 1
1 523 . 1 1 1 A 44 44 THR H H 44 9.219 10.089 -0.870 1
1 524 . 1 1 1 A 44 44 THR HA H 44 4.694 4.975 -0.281 1
1 529 . 1 1 1 A 44 44 THR C C 44 172.706 172.733 -0.027 1
1 530 . 1 1 1 A 44 44 THR CA C 44 60.957 61.662 -0.705 1
1 531 . 1 1 1 A 44 44 THR CB C 44 72.616 69.860 2.756 1
1 533 . 1 1 1 A 44 44 THR N N 44 114.918 119.104 -4.186 1
1 534 . 1 1 1 A 45 45 TYR H H 45 8.553 9.143 -0.590 1
1 535 . 1 1 1 A 45 45 TYR HA H 45 5.002 4.929 0.073 1
1 540 . 1 1 1 A 45 45 TYR C C 45 173.745 174.125 -0.380 1
1 541 . 1 1 1 A 45 45 TYR CA C 45 57.249 57.867 -0.618 1
1 542 . 1 1 1 A 45 45 TYR CB C 45 41.719 40.306 1.413 1
1 545 . 1 1 1 A 45 45 TYR N N 45 121.490 128.571 -7.081 1
1 546 . 1 1 1 A 46 46 LYS H H 46 7.348 8.381 -1.033 1
1 547 . 1 1 1 A 46 46 LYS HA H 46 4.222 4.622 -0.400 1
1 554 . 1 1 1 A 46 46 LYS C C 46 175.715 174.750 0.965 1
1 555 . 1 1 1 A 46 46 LYS CA C 46 53.576 54.506 -0.930 1
1 556 . 1 1 1 A 46 46 LYS CB C 46 33.582 35.141 -1.559 1
1 560 . 1 1 1 A 46 46 LYS N N 46 129.620 126.930 2.690 1
1 561 . 1 1 1 A 47 47 ASP H H 47 8.578 8.822 -0.244 1
1 562 . 1 1 1 A 47 47 ASP HA H 47 4.126 4.899 -0.773 1
1 565 . 1 1 1 A 47 47 ASP C C 47 179.207 176.909 2.298 1
1 566 . 1 1 1 A 47 47 ASP CA C 47 57.191 53.026 4.165 1
1 567 . 1 1 1 A 47 47 ASP CB C 47 41.969 40.480 1.489 1
1 568 . 1 1 1 A 47 47 ASP N N 47 125.757 125.351 0.406 1
1 569 . 1 1 1 A 48 48 GLU H H 48 9.445 8.194 1.251 1
1 570 . 1 1 1 A 48 48 GLU HA H 48 3.918 4.491 -0.573 1
1 575 . 1 1 1 A 48 48 GLU C C 48 177.578 176.271 1.307 1
1 576 . 1 1 1 A 48 48 GLU CA C 48 60.066 57.367 2.699 1
1 577 . 1 1 1 A 48 48 GLU CB C 48 29.343 31.309 -1.966 1
1 579 . 1 1 1 A 48 48 GLU N N 48 117.612 121.491 -3.879 1
1 580 . 1 1 1 A 49 49 THR H H 49 6.624 7.813 -1.189 1
1 581 . 1 1 1 A 49 49 THR HA H 49 4.414 4.499 -0.085 1
1 586 . 1 1 1 A 49 49 THR C C 49 175.232 173.811 1.421 1
1 587 . 1 1 1 A 49 49 THR CA C 49 59.873 61.199 -1.326 1
1 588 . 1 1 1 A 49 49 THR CB C 49 69.188 69.363 -0.175 1
1 590 . 1 1 1 A 49 49 THR N N 49 103.078 113.137 -10.059 1
1 591 . 1 1 1 A 50 50 LYS H H 50 7.828 7.919 -0.091 1
1 592 . 1 1 1 A 50 50 LYS HA H 50 4.139 4.234 -0.095 1
1 597 . 1 1 1 A 50 50 LYS C C 50 174.786 174.790 -0.004 1
1 598 . 1 1 1 A 50 50 LYS CA C 50 55.981 56.868 -0.887 1
1 599 . 1 1 1 A 50 50 LYS CB C 50 29.258 29.878 -0.620 1
1 602 . 1 1 1 A 50 50 LYS N N 50 123.628 116.216 7.412 1
1 603 . 1 1 1 A 51 51 THR H H 51 7.216 7.121 0.095 1
1 604 . 1 1 1 A 51 51 THR HA H 51 5.433 5.124 0.309 1
1 609 . 1 1 1 A 51 51 THR C C 51 174.574 172.944 1.630 1
1 610 . 1 1 1 A 51 51 THR CA C 51 62.224 61.587 0.637 1
1 611 . 1 1 1 A 51 51 THR CB C 51 72.346 70.909 1.437 1
1 613 . 1 1 1 A 51 51 THR N N 51 110.763 113.253 -2.490 1
1 614 . 1 1 1 A 52 52 PHE H H 52 10.222 9.706 0.516 1
1 615 . 1 1 1 A 52 52 PHE HA H 52 5.447 5.636 -0.189 1
1 622 . 1 1 1 A 52 52 PHE C C 52 174.401 175.452 -1.051 1
1 623 . 1 1 1 A 52 52 PHE CA C 52 57.269 56.283 0.986 1
1 624 . 1 1 1 A 52 52 PHE CB C 52 42.143 41.804 0.339 1
1 629 . 1 1 1 A 52 52 PHE N N 52 130.993 125.560 5.433 1
1 630 . 1 1 1 A 53 53 THR H H 53 9.099 8.791 0.308 1
1 631 . 1 1 1 A 53 53 THR HA H 53 5.108 5.119 -0.011 1
1 636 . 1 1 1 A 53 53 THR C C 53 172.565 172.693 -0.128 1
1 637 . 1 1 1 A 53 53 THR CA C 53 61.737 61.401 0.336 1
1 638 . 1 1 1 A 53 53 THR CB C 53 70.663 70.668 -0.005 1
1 640 . 1 1 1 A 53 53 THR N N 53 117.968 117.191 0.777 1
1 641 . 1 1 1 A 54 54 VAL H H 54 8.496 8.451 0.045 1
1 642 . 1 1 1 A 54 54 VAL HA H 54 4.410 5.076 -0.666 1
1 650 . 1 1 1 A 54 54 VAL C C 54 173.790 173.336 0.454 1
1 651 . 1 1 1 A 54 54 VAL CA C 54 59.103 59.954 -0.851 1
1 652 . 1 1 1 A 54 54 VAL CB C 54 32.651 34.372 -1.721 1
1 655 . 1 1 1 A 54 54 VAL N N 54 125.071 125.963 -0.892 1
1 656 . 1 1 1 A 55 55 THR H H 55 8.265 8.225 0.040 1
1 657 . 1 1 1 A 55 55 THR HA H 55 4.792 5.097 -0.305 1
1 662 . 1 1 1 A 55 55 THR C C 55 173.789 172.138 1.651 1
1 663 . 1 1 1 A 55 55 THR CA C 55 61.035 59.900 1.135 1
1 664 . 1 1 1 A 55 55 THR CB C 55 71.261 71.294 -0.033 1
1 666 . 1 1 1 A 55 55 THR N N 55 122.202 121.761 0.441 1
1 10 . 2 1 1 A 2 2 THR H H 2 8.719 8.875 -0.156 1
1 11 . 2 1 1 A 2 2 THR HA H 2 4.251 4.513 -0.262 1
1 16 . 2 1 1 A 2 2 THR C C 2 172.951 172.586 0.365 1
1 17 . 2 1 1 A 2 2 THR CA C 2 63.748 62.016 1.732 1
1 18 . 2 1 1 A 2 2 THR CB C 2 68.568 69.101 -0.533 1
1 20 . 2 1 1 A 2 2 THR N N 2 123.894 121.569 2.325 1
1 21 . 2 1 1 A 3 3 TYR H H 3 8.841 9.571 -0.730 1
1 22 . 2 1 1 A 3 3 TYR HA H 3 5.289 5.264 0.025 1
1 29 . 2 1 1 A 3 3 TYR C C 3 173.975 175.541 -1.566 1
1 30 . 2 1 1 A 3 3 TYR CA C 3 57.850 56.929 0.921 1
1 31 . 2 1 1 A 3 3 TYR CB C 3 43.043 41.039 2.004 1
1 36 . 2 1 1 A 3 3 TYR N N 3 127.370 128.517 -1.147 1
1 37 . 2 1 1 A 4 4 LYS H H 4 8.791 8.664 0.127 1
1 38 . 2 1 1 A 4 4 LYS HA H 4 5.344 5.504 -0.160 1
1 43 . 2 1 1 A 4 4 LYS C C 4 173.055 175.466 -2.411 1
1 44 . 2 1 1 A 4 4 LYS CA C 4 54.537 54.964 -0.427 1
1 45 . 2 1 1 A 4 4 LYS CB C 4 35.881 35.673 0.208 1
1 48 . 2 1 1 A 4 4 LYS N N 4 121.038 122.566 -1.528 1
1 49 . 2 1 1 A 5 5 LEU H H 5 9.005 8.786 0.219 1
1 50 . 2 1 1 A 5 5 LEU HA H 5 4.889 5.160 -0.271 1
1 60 . 2 1 1 A 5 5 LEU C C 5 174.789 174.741 0.048 1
1 61 . 2 1 1 A 5 5 LEU CA C 5 52.566 53.573 -1.007 1
1 62 . 2 1 1 A 5 5 LEU CB C 5 44.174 45.338 -1.164 1
1 65 . 2 1 1 A 5 5 LEU N N 5 126.547 123.570 2.977 1
1 66 . 2 1 1 A 6 6 ILE H H 6 9.104 8.467 0.637 1
1 67 . 2 1 1 A 6 6 ILE HA H 6 4.970 4.897 0.073 1
1 71 . 2 1 1 A 6 6 ILE C C 6 174.690 174.070 0.620 1
1 72 . 2 1 1 A 6 6 ILE CA C 6 60.313 59.162 1.151 1
1 73 . 2 1 1 A 6 6 ILE CB C 6 38.652 40.802 -2.150 1
1 76 . 2 1 1 A 6 6 ILE N N 6 126.502 121.827 4.675 1
1 77 . 2 1 1 A 7 7 LEU H H 7 8.907 9.388 -0.481 1
1 78 . 2 1 1 A 7 7 LEU HA H 7 4.452 5.494 -1.042 1
1 88 . 2 1 1 A 7 7 LEU C C 7 174.573 175.425 -0.852 1
1 89 . 2 1 1 A 7 7 LEU CA C 7 54.010 52.907 1.103 1
1 90 . 2 1 1 A 7 7 LEU CB C 7 41.072 44.288 -3.216 1
1 93 . 2 1 1 A 7 7 LEU N N 7 126.037 127.918 -1.881 1
1 94 . 2 1 1 A 8 8 ASN H H 8 8.941 8.569 0.372 1
1 95 . 2 1 1 A 8 8 ASN HA H 8 4.943 5.138 -0.195 1
1 100 . 2 1 1 A 8 8 ASN C C 8 174.323 174.663 -0.340 1
1 101 . 2 1 1 A 8 8 ASN CA C 8 51.785 52.207 -0.422 1
1 102 . 2 1 1 A 8 8 ASN CB C 8 38.008 38.846 -0.838 1
1 103 . 2 1 1 A 8 8 ASN N N 8 125.436 122.451 2.985 1
1 105 . 2 1 1 A 9 9 LEU H H 9 7.636 8.317 -0.681 1
1 106 . 2 1 1 A 9 9 LEU HA H 9 4.548 4.461 0.087 1
1 113 . 2 1 1 A 9 9 LEU C C 9 177.230 178.474 -1.244 1
1 114 . 2 1 1 A 9 9 LEU CA C 9 53.502 54.343 -0.841 1
1 115 . 2 1 1 A 9 9 LEU CB C 9 41.569 42.280 -0.711 1
1 118 . 2 1 1 A 9 9 LEU N N 9 121.638 125.480 -3.842 1
1 119 . 2 1 1 A 10 10 LYS H H 10 9.138 8.605 0.533 1
1 120 . 2 1 1 A 10 10 LYS HA H 10 3.964 4.204 -0.240 1
1 127 . 2 1 1 A 10 10 LYS C C 10 179.119 177.376 1.743 1
1 128 . 2 1 1 A 10 10 LYS CA C 10 59.786 58.377 1.409 1
1 129 . 2 1 1 A 10 10 LYS CB C 10 31.825 32.988 -1.163 1
1 133 . 2 1 1 A 10 10 LYS N N 10 120.948 121.598 -0.650 1
1 134 . 2 1 1 A 11 11 GLN H H 11 8.432 7.991 0.441 1
1 135 . 2 1 1 A 11 11 GLN HA H 11 4.325 4.572 -0.247 1
1 140 . 2 1 1 A 11 11 GLN C C 11 175.294 174.669 0.625 1
1 141 . 2 1 1 A 11 11 GLN CA C 11 55.903 55.224 0.679 1
1 142 . 2 1 1 A 11 11 GLN CB C 11 29.207 29.612 -0.405 1
1 144 . 2 1 1 A 11 11 GLN N N 11 113.252 113.809 -0.557 1
1 145 . 2 1 1 A 12 12 ALA H H 12 7.079 7.555 -0.476 1
1 146 . 2 1 1 A 12 12 ALA HA H 12 4.318 4.553 -0.235 1
1 150 . 2 1 1 A 12 12 ALA C C 12 174.190 175.004 -0.814 1
1 151 . 2 1 1 A 12 12 ALA CA C 12 52.507 51.590 0.917 1
1 152 . 2 1 1 A 12 12 ALA CB C 12 21.479 22.486 -1.007 1
1 153 . 2 1 1 A 12 12 ALA N N 12 120.435 120.773 -0.338 1
1 154 . 2 1 1 A 13 13 LYS H H 13 8.156 8.318 -0.162 1
1 155 . 2 1 1 A 13 13 LYS HA H 13 5.197 4.952 0.245 1
1 162 . 2 1 1 A 13 13 LYS C C 13 176.127 175.647 0.480 1
1 163 . 2 1 1 A 13 13 LYS CA C 13 55.036 54.669 0.367 1
1 164 . 2 1 1 A 13 13 LYS CB C 13 33.890 34.453 -0.563 1
1 168 . 2 1 1 A 13 13 LYS N N 13 120.644 118.637 2.007 1
1 169 . 2 1 1 A 14 14 GLU H H 14 8.545 8.852 -0.307 1
1 170 . 2 1 1 A 14 14 GLU HA H 14 4.629 5.101 -0.472 1
1 175 . 2 1 1 A 14 14 GLU C C 14 173.875 175.646 -1.771 1
1 176 . 2 1 1 A 14 14 GLU CA C 14 54.680 54.851 -0.171 1
1 177 . 2 1 1 A 14 14 GLU CB C 14 34.319 32.737 1.582 1
1 179 . 2 1 1 A 14 14 GLU N N 14 123.133 123.969 -0.836 1
1 180 . 2 1 1 A 15 15 GLU H H 15 8.532 9.062 -0.530 1
1 181 . 2 1 1 A 15 15 GLU HA H 15 5.465 5.280 0.185 1
1 186 . 2 1 1 A 15 15 GLU C C 15 175.284 174.730 0.554 1
1 188 . 2 1 1 A 15 15 GLU N N 15 120.437 120.656 -0.219 1
1 189 . 2 1 1 A 16 16 ALA H H 16 9.161 8.673 0.488 1
1 190 . 2 1 1 A 16 16 ALA HA H 16 4.731 4.893 -0.162 1
1 194 . 2 1 1 A 16 16 ALA C C 16 174.936 174.948 -0.012 1
1 195 . 2 1 1 A 16 16 ALA CA C 16 51.278 51.319 -0.041 1
1 196 . 2 1 1 A 16 16 ALA CB C 16 22.037 23.748 -1.711 1
1 197 . 2 1 1 A 16 16 ALA N N 16 126.588 121.529 5.059 1
1 198 . 2 1 1 A 17 17 ILE H H 17 8.387 8.529 -0.142 1
1 199 . 2 1 1 A 17 17 ILE HA H 17 5.325 5.029 0.296 1
1 206 . 2 1 1 A 17 17 ILE C C 17 176.066 174.881 1.185 1
1 210 . 2 1 1 A 17 17 ILE N N 17 117.620 118.585 -0.965 1
1 211 . 2 1 1 A 18 18 LYS H H 18 9.152 9.646 -0.494 1
1 212 . 2 1 1 A 18 18 LYS HA H 18 4.385 4.832 -0.447 1
1 221 . 2 1 1 A 18 18 LYS C C 18 173.587 175.267 -1.680 1
1 222 . 2 1 1 A 18 18 LYS CA C 18 55.084 54.429 0.655 1
1 223 . 2 1 1 A 18 18 LYS CB C 18 36.862 35.520 1.342 1
1 227 . 2 1 1 A 18 18 LYS N N 18 125.563 126.514 -0.951 1
1 228 . 2 1 1 A 19 19 GLU H H 19 8.337 8.542 -0.205 1
1 229 . 2 1 1 A 19 19 GLU HA H 19 4.907 4.755 0.152 1
1 234 . 2 1 1 A 19 19 GLU C C 19 175.687 175.759 -0.072 1
1 235 . 2 1 1 A 19 19 GLU CA C 19 55.679 55.972 -0.293 1
1 236 . 2 1 1 A 19 19 GLU CB C 19 29.158 30.418 -1.260 1
1 238 . 2 1 1 A 19 19 GLU N N 19 127.836 122.879 4.957 1
1 239 . 2 1 1 A 20 20 LEU H H 20 8.710 8.693 0.017 1
1 240 . 2 1 1 A 20 20 LEU HA H 20 4.798 4.896 -0.098 1
1 247 . 2 1 1 A 20 20 LEU C C 20 177.829 176.554 1.275 1
1 248 . 2 1 1 A 20 20 LEU CA C 20 53.519 53.127 0.392 1
1 249 . 2 1 1 A 20 20 LEU CB C 20 47.902 45.326 2.576 1
1 252 . 2 1 1 A 20 20 LEU N N 20 127.240 124.342 2.898 1
1 253 . 2 1 1 A 21 21 VAL H H 21 8.236 8.654 -0.418 1
1 254 . 2 1 1 A 21 21 VAL HA H 21 3.947 4.338 -0.391 1
1 259 . 2 1 1 A 21 21 VAL C C 21 175.301 175.297 0.004 1
1 260 . 2 1 1 A 21 21 VAL CA C 21 64.879 62.435 2.444 1
1 261 . 2 1 1 A 21 21 VAL CB C 21 32.290 33.090 -0.800 1
1 263 . 2 1 1 A 21 21 VAL N N 21 116.513 118.502 -1.989 1
1 264 . 2 1 1 A 22 22 ASP H H 22 7.071 8.038 -0.967 1
1 265 . 2 1 1 A 22 22 ASP HA H 22 4.028 5.090 -1.062 1
1 268 . 2 1 1 A 22 22 ASP C C 22 172.221 175.777 -3.556 1
1 269 . 2 1 1 A 22 22 ASP CA C 22 52.983 52.614 0.369 1
1 270 . 2 1 1 A 22 22 ASP CB C 22 42.107 43.685 -1.578 1
1 271 . 2 1 1 A 22 22 ASP N N 22 115.040 120.908 -5.868 1
1 272 . 2 1 1 A 23 23 ALA H H 23 8.332 8.880 -0.548 1
1 273 . 2 1 1 A 23 23 ALA HA H 23 4.136 3.946 0.190 1
1 277 . 2 1 1 A 23 23 ALA C C 23 179.560 179.679 -0.119 1
1 278 . 2 1 1 A 23 23 ALA CA C 23 55.215 55.111 0.104 1
1 279 . 2 1 1 A 23 23 ALA CB C 23 17.337 18.166 -0.829 1
1 280 . 2 1 1 A 23 23 ALA N N 23 121.322 126.159 -4.837 1
1 281 . 2 1 1 A 24 24 ALA H H 24 8.168 7.710 0.458 1
1 282 . 2 1 1 A 24 24 ALA HA H 24 4.000 4.009 -0.009 1
1 286 . 2 1 1 A 24 24 ALA C C 24 181.170 179.479 1.691 1
1 287 . 2 1 1 A 24 24 ALA CA C 24 54.771 55.154 -0.383 1
1 288 . 2 1 1 A 24 24 ALA CB C 24 17.274 18.791 -1.517 1
1 289 . 2 1 1 A 24 24 ALA N N 24 122.440 120.049 2.391 1
1 290 . 2 1 1 A 25 25 THR H H 25 8.444 8.040 0.404 1
1 291 . 2 1 1 A 25 25 THR HA H 25 3.924 3.865 0.059 1
1 296 . 2 1 1 A 25 25 THR C C 25 176.695 176.241 0.454 1
1 297 . 2 1 1 A 25 25 THR CA C 25 66.636 66.409 0.227 1
1 298 . 2 1 1 A 25 25 THR CB C 25 68.177 68.595 -0.418 1
1 300 . 2 1 1 A 25 25 THR N N 25 117.219 113.449 3.770 1
1 301 . 2 1 1 A 26 26 ALA H H 26 7.755 8.157 -0.402 1
1 302 . 2 1 1 A 26 26 ALA HA H 26 3.427 3.684 -0.257 1
1 306 . 2 1 1 A 26 26 ALA C C 26 176.844 180.303 -3.459 1
1 307 . 2 1 1 A 26 26 ALA CA C 26 55.025 55.419 -0.394 1
1 308 . 2 1 1 A 26 26 ALA CB C 26 17.772 17.581 0.191 1
1 309 . 2 1 1 A 26 26 ALA N N 26 125.147 123.121 2.026 1
1 310 . 2 1 1 A 27 27 GLU H H 27 8.412 8.961 -0.549 1
1 311 . 2 1 1 A 27 27 GLU HA H 27 2.758 3.774 -1.016 1
1 316 . 2 1 1 A 27 27 GLU C C 27 177.417 178.983 -1.566 1
1 317 . 2 1 1 A 27 27 GLU CA C 27 59.932 59.416 0.516 1
1 318 . 2 1 1 A 27 27 GLU CB C 27 28.943 29.231 -0.288 1
1 320 . 2 1 1 A 27 27 GLU N N 27 119.203 118.021 1.182 1
1 321 . 2 1 1 A 28 28 LYS H H 28 7.013 7.700 -0.687 1
1 322 . 2 1 1 A 28 28 LYS HA H 28 3.626 4.015 -0.389 1
1 329 . 2 1 1 A 28 28 LYS C C 28 178.802 178.399 0.403 1
1 330 . 2 1 1 A 28 28 LYS CA C 28 59.572 58.832 0.740 1
1 331 . 2 1 1 A 28 28 LYS CB C 28 32.290 32.394 -0.104 1
1 335 . 2 1 1 A 28 28 LYS N N 28 116.415 120.348 -3.933 1
1 336 . 2 1 1 A 29 29 TYR H H 29 7.815 8.313 -0.498 1
1 337 . 2 1 1 A 29 29 TYR HA H 29 3.841 4.229 -0.388 1
1 344 . 2 1 1 A 29 29 TYR C C 29 178.466 177.502 0.964 1
1 345 . 2 1 1 A 29 29 TYR CA C 29 61.703 61.536 0.167 1
1 346 . 2 1 1 A 29 29 TYR CB C 29 38.193 38.668 -0.475 1
1 351 . 2 1 1 A 29 29 TYR N N 29 119.360 120.703 -1.343 1
1 352 . 2 1 1 A 30 30 PHE H H 30 8.979 9.029 -0.050 1
1 353 . 2 1 1 A 30 30 PHE HA H 30 4.451 4.400 0.051 1
1 360 . 2 1 1 A 30 30 PHE C C 30 178.342 177.962 0.380 1
1 361 . 2 1 1 A 30 30 PHE CA C 30 59.395 61.919 -2.524 1
1 362 . 2 1 1 A 30 30 PHE CB C 30 37.451 38.366 -0.915 1
1 367 . 2 1 1 A 30 30 PHE N N 30 119.088 118.170 0.918 1
1 368 . 2 1 1 A 31 31 LYS H H 31 8.464 8.175 0.289 1
1 369 . 2 1 1 A 31 31 LYS HA H 31 3.983 4.417 -0.434 1
1 376 . 2 1 1 A 31 31 LYS C C 31 179.506 179.301 0.205 1
1 377 . 2 1 1 A 31 31 LYS CA C 31 60.031 59.686 0.345 1
1 378 . 2 1 1 A 31 31 LYS CB C 31 31.236 32.281 -1.045 1
1 381 . 2 1 1 A 31 31 LYS N N 31 122.220 119.925 2.295 1
1 382 . 2 1 1 A 32 32 LEU H H 32 7.314 8.165 -0.851 1
1 383 . 2 1 1 A 32 32 LEU HA H 32 3.990 4.089 -0.099 1
1 390 . 2 1 1 A 32 32 LEU C C 32 179.565 178.962 0.603 1
1 391 . 2 1 1 A 32 32 LEU CA C 32 58.069 57.375 0.694 1
1 392 . 2 1 1 A 32 32 LEU CB C 32 41.329 41.276 0.053 1
1 395 . 2 1 1 A 32 32 LEU N N 32 120.642 119.061 1.581 1
1 396 . 2 1 1 A 33 33 TYR H H 33 8.018 8.236 -0.218 1
1 397 . 2 1 1 A 33 33 TYR HA H 33 3.999 4.140 -0.141 1
1 405 . 2 1 1 A 33 33 TYR C C 33 177.598 178.014 -0.416 1
1 406 . 2 1 1 A 33 33 TYR CA C 33 61.107 61.712 -0.605 1
1 407 . 2 1 1 A 33 33 TYR CB C 33 39.081 39.178 -0.097 1
1 412 . 2 1 1 A 33 33 TYR N N 33 122.222 119.680 2.542 1
1 413 . 2 1 1 A 34 34 ALA H H 34 8.794 8.717 0.077 1
1 414 . 2 1 1 A 34 34 ALA HA H 34 3.783 4.200 -0.417 1
1 418 . 2 1 1 A 34 34 ALA C C 34 179.307 179.473 -0.166 1
1 419 . 2 1 1 A 34 34 ALA CA C 34 54.459 54.922 -0.463 1
1 420 . 2 1 1 A 34 34 ALA CB C 34 18.376 18.196 0.180 1
1 421 . 2 1 1 A 34 34 ALA N N 34 119.675 121.686 -2.011 1
1 422 . 2 1 1 A 35 35 ASN H H 35 8.156 7.591 0.565 1
1 423 . 2 1 1 A 35 35 ASN HA H 35 4.489 4.540 -0.051 1
1 426 . 2 1 1 A 35 35 ASN C C 35 177.869 177.068 0.801 1
1 427 . 2 1 1 A 35 35 ASN CA C 35 56.410 55.734 0.676 1
1 428 . 2 1 1 A 35 35 ASN CB C 35 38.339 39.103 -0.764 1
1 429 . 2 1 1 A 35 35 ASN N N 35 117.882 117.275 0.607 1
1 430 . 2 1 1 A 36 36 ALA H H 36 7.804 7.844 -0.040 1
1 431 . 2 1 1 A 36 36 ALA HA H 36 4.087 4.009 0.078 1
1 435 . 2 1 1 A 36 36 ALA C C 36 178.579 179.718 -1.139 1
1 436 . 2 1 1 A 36 36 ALA CA C 36 53.893 55.168 -1.275 1
1 437 . 2 1 1 A 36 36 ALA CB C 36 17.782 17.959 -0.177 1
1 438 . 2 1 1 A 36 36 ALA N N 36 121.244 121.786 -0.542 1
1 439 . 2 1 1 A 37 37 LYS H H 37 7.380 8.112 -0.732 1
1 440 . 2 1 1 A 37 37 LYS HA H 37 4.164 3.966 0.198 1
1 447 . 2 1 1 A 37 37 LYS C C 37 175.831 176.759 -0.928 1
1 448 . 2 1 1 A 37 37 LYS CA C 37 56.020 58.982 -2.962 1
1 449 . 2 1 1 A 37 37 LYS CB C 37 32.876 32.181 0.695 1
1 453 . 2 1 1 A 37 37 LYS N N 37 116.585 117.512 -0.927 1
1 454 . 2 1 1 A 38 38 THR H H 38 7.891 7.663 0.228 1
1 455 . 2 1 1 A 38 38 THR HA H 38 4.144 4.723 -0.579 1
1 460 . 2 1 1 A 38 38 THR C C 38 172.820 173.788 -0.968 1
1 461 . 2 1 1 A 38 38 THR CA C 38 61.719 60.498 1.221 1
1 462 . 2 1 1 A 38 38 THR CB C 38 68.688 70.759 -2.071 1
1 464 . 2 1 1 A 38 38 THR N N 38 113.375 108.188 5.187 1
1 465 . 2 1 1 A 39 39 VAL H H 39 7.939 8.343 -0.404 1
1 466 . 2 1 1 A 39 39 VAL HA H 39 4.148 4.894 -0.746 1
1 471 . 2 1 1 A 39 39 VAL C C 39 174.525 174.790 -0.265 1
1 472 . 2 1 1 A 39 39 VAL CA C 39 62.125 59.624 2.501 1
1 473 . 2 1 1 A 39 39 VAL CB C 39 32.720 34.230 -1.510 1
1 475 . 2 1 1 A 39 39 VAL N N 39 120.564 114.921 5.643 1
1 476 . 2 1 1 A 40 40 GLU H H 40 8.586 8.689 -0.103 1
1 477 . 2 1 1 A 40 40 GLU HA H 40 4.533 5.220 -0.687 1
1 482 . 2 1 1 A 40 40 GLU C C 40 175.158 176.113 -0.955 1
1 483 . 2 1 1 A 40 40 GLU CA C 40 55.211 54.817 0.394 1
1 484 . 2 1 1 A 40 40 GLU CB C 40 31.130 33.095 -1.965 1
1 486 . 2 1 1 A 40 40 GLU N N 40 126.113 121.148 4.965 1
1 487 . 2 1 1 A 41 41 GLY H H 41 8.042 8.510 -0.468 1
1 488 . 2 1 1 A 41 41 GLY HA2 H 41 4.059 4.107 -0.048 1
1 489 . 2 1 1 A 41 41 GLY HA3 H 41 3.533 4.157 -0.624 1
1 490 . 2 1 1 A 41 41 GLY C C 41 174.994 173.036 1.958 1
1 491 . 2 1 1 A 41 41 GLY CA C 41 45.300 45.750 -0.450 1
1 492 . 2 1 1 A 41 41 GLY N N 41 107.727 109.772 -2.045 1
1 493 . 2 1 1 A 42 42 VAL H H 42 8.349 8.144 0.205 1
1 494 . 2 1 1 A 42 42 VAL HA H 42 4.303 4.407 -0.104 1
1 499 . 2 1 1 A 42 42 VAL C C 42 176.649 175.524 1.125 1
1 500 . 2 1 1 A 42 42 VAL CA C 42 62.243 62.620 -0.377 1
1 501 . 2 1 1 A 42 42 VAL CB C 42 33.763 32.205 1.558 1
1 503 . 2 1 1 A 42 42 VAL N N 42 121.379 120.966 0.413 1
1 504 . 2 1 1 A 43 43 TRP H H 43 9.250 9.213 0.037 1
1 505 . 2 1 1 A 43 43 TRP HA H 43 5.104 5.091 0.013 1
1 514 . 2 1 1 A 43 43 TRP C C 43 177.089 176.343 0.746 1
1 515 . 2 1 1 A 43 43 TRP CA C 43 57.991 56.752 1.239 1
1 516 . 2 1 1 A 43 43 TRP CB C 43 29.904 31.333 -1.429 1
1 521 . 2 1 1 A 43 43 TRP N N 43 130.568 129.187 1.381 1
1 523 . 2 1 1 A 44 44 THR H H 44 9.219 8.782 0.437 1
1 524 . 2 1 1 A 44 44 THR HA H 44 4.694 5.139 -0.445 1
1 529 . 2 1 1 A 44 44 THR C C 44 172.706 172.357 0.349 1
1 530 . 2 1 1 A 44 44 THR CA C 44 60.957 60.803 0.154 1
1 531 . 2 1 1 A 44 44 THR CB C 44 72.616 71.390 1.226 1
1 533 . 2 1 1 A 44 44 THR N N 44 114.918 114.069 0.849 1
1 534 . 2 1 1 A 45 45 TYR H H 45 8.553 9.176 -0.623 1
1 535 . 2 1 1 A 45 45 TYR HA H 45 5.002 4.843 0.159 1
1 540 . 2 1 1 A 45 45 TYR C C 45 173.745 174.306 -0.561 1
1 541 . 2 1 1 A 45 45 TYR CA C 45 57.249 58.222 -0.973 1
1 542 . 2 1 1 A 45 45 TYR CB C 45 41.719 39.997 1.722 1
1 545 . 2 1 1 A 45 45 TYR N N 45 121.490 127.296 -5.806 1
1 546 . 2 1 1 A 46 46 LYS H H 46 7.348 8.001 -0.653 1
1 547 . 2 1 1 A 46 46 LYS HA H 46 4.222 4.833 -0.611 1
1 554 . 2 1 1 A 46 46 LYS C C 46 175.715 175.277 0.438 1
1 555 . 2 1 1 A 46 46 LYS CA C 46 53.576 54.391 -0.815 1
1 556 . 2 1 1 A 46 46 LYS CB C 46 33.582 35.452 -1.870 1
1 560 . 2 1 1 A 46 46 LYS N N 46 129.620 127.539 2.081 1
1 561 . 2 1 1 A 47 47 ASP H H 47 8.578 8.781 -0.203 1
1 562 . 2 1 1 A 47 47 ASP HA H 47 4.126 4.792 -0.666 1
1 565 . 2 1 1 A 47 47 ASP C C 47 179.207 176.360 2.847 1
1 566 . 2 1 1 A 47 47 ASP CA C 47 57.191 53.946 3.245 1
1 567 . 2 1 1 A 47 47 ASP CB C 47 41.969 40.980 0.989 1
1 568 . 2 1 1 A 47 47 ASP N N 47 125.757 126.716 -0.959 1
1 569 . 2 1 1 A 48 48 GLU H H 48 9.445 8.034 1.411 1
1 570 . 2 1 1 A 48 48 GLU HA H 48 3.918 4.097 -0.179 1
1 575 . 2 1 1 A 48 48 GLU C C 48 177.578 176.668 0.910 1
1 576 . 2 1 1 A 48 48 GLU CA C 48 60.066 58.357 1.709 1
1 577 . 2 1 1 A 48 48 GLU CB C 48 29.343 30.761 -1.418 1
1 579 . 2 1 1 A 48 48 GLU N N 48 117.612 120.001 -2.389 1
1 580 . 2 1 1 A 49 49 THR H H 49 6.624 7.709 -1.085 1
1 581 . 2 1 1 A 49 49 THR HA H 49 4.414 4.492 -0.078 1
1 586 . 2 1 1 A 49 49 THR C C 49 175.232 173.775 1.457 1
1 587 . 2 1 1 A 49 49 THR CA C 49 59.873 61.219 -1.346 1
1 588 . 2 1 1 A 49 49 THR CB C 49 69.188 69.569 -0.381 1
1 590 . 2 1 1 A 49 49 THR N N 49 103.078 113.071 -9.993 1
1 591 . 2 1 1 A 50 50 LYS H H 50 7.828 7.918 -0.090 1
1 592 . 2 1 1 A 50 50 LYS HA H 50 4.139 4.236 -0.097 1
1 597 . 2 1 1 A 50 50 LYS C C 50 174.786 174.933 -0.147 1
1 598 . 2 1 1 A 50 50 LYS CA C 50 55.981 56.862 -0.881 1
1 599 . 2 1 1 A 50 50 LYS CB C 50 29.258 30.081 -0.823 1
1 602 . 2 1 1 A 50 50 LYS N N 50 123.628 116.572 7.056 1
1 603 . 2 1 1 A 51 51 THR H H 51 7.216 7.137 0.079 1
1 604 . 2 1 1 A 51 51 THR HA H 51 5.433 5.262 0.171 1
1 609 . 2 1 1 A 51 51 THR C C 51 174.574 173.220 1.354 1
1 610 . 2 1 1 A 51 51 THR CA C 51 62.224 61.376 0.848 1
1 611 . 2 1 1 A 51 51 THR CB C 51 72.346 71.821 0.525 1
1 613 . 2 1 1 A 51 51 THR N N 51 110.763 113.042 -2.279 1
1 614 . 2 1 1 A 52 52 PHE H H 52 10.222 9.539 0.683 1
1 615 . 2 1 1 A 52 52 PHE HA H 52 5.447 5.247 0.200 1
1 622 . 2 1 1 A 52 52 PHE C C 52 174.401 175.310 -0.909 1
1 623 . 2 1 1 A 52 52 PHE CA C 52 57.269 57.472 -0.203 1
1 624 . 2 1 1 A 52 52 PHE CB C 52 42.143 41.417 0.726 1
1 629 . 2 1 1 A 52 52 PHE N N 52 130.993 125.490 5.503 1
1 630 . 2 1 1 A 53 53 THR H H 53 9.099 8.800 0.299 1
1 631 . 2 1 1 A 53 53 THR HA H 53 5.108 4.934 0.174 1
1 636 . 2 1 1 A 53 53 THR C C 53 172.565 172.636 -0.071 1
1 637 . 2 1 1 A 53 53 THR CA C 53 61.737 61.500 0.237 1
1 638 . 2 1 1 A 53 53 THR CB C 53 70.663 71.203 -0.540 1
1 640 . 2 1 1 A 53 53 THR N N 53 117.968 114.744 3.224 1
1 641 . 2 1 1 A 54 54 VAL H H 54 8.496 8.481 0.015 1
1 642 . 2 1 1 A 54 54 VAL HA H 54 4.410 5.175 -0.765 1
1 650 . 2 1 1 A 54 54 VAL C C 54 173.790 173.819 -0.029 1
1 651 . 2 1 1 A 54 54 VAL CA C 54 59.103 59.499 -0.396 1
1 652 . 2 1 1 A 54 54 VAL CB C 54 32.651 35.166 -2.515 1
1 655 . 2 1 1 A 54 54 VAL N N 54 125.071 126.128 -1.057 1
1 656 . 2 1 1 A 55 55 THR H H 55 8.265 8.416 -0.151 1
1 657 . 2 1 1 A 55 55 THR HA H 55 4.792 5.022 -0.230 1
1 662 . 2 1 1 A 55 55 THR C C 55 173.789 171.707 2.082 1
1 663 . 2 1 1 A 55 55 THR CA C 55 61.035 59.294 1.741 1
1 664 . 2 1 1 A 55 55 THR CB C 55 71.261 72.444 -1.183 1
1 666 . 2 1 1 A 55 55 THR N N 55 122.202 116.333 5.869 1
1 10 . 3 1 1 A 2 2 THR H H 2 8.719 7.932 0.787 1
1 11 . 3 1 1 A 2 2 THR HA H 2 4.251 4.959 -0.708 1
1 16 . 3 1 1 A 2 2 THR C C 2 172.951 173.045 -0.094 1
1 17 . 3 1 1 A 2 2 THR CA C 2 63.748 61.241 2.507 1
1 18 . 3 1 1 A 2 2 THR CB C 2 68.568 70.276 -1.708 1
1 20 . 3 1 1 A 2 2 THR N N 2 123.894 111.676 12.218 1
1 21 . 3 1 1 A 3 3 TYR H H 3 8.841 9.499 -0.658 1
1 22 . 3 1 1 A 3 3 TYR HA H 3 5.289 5.325 -0.036 1
1 29 . 3 1 1 A 3 3 TYR C C 3 173.975 174.906 -0.931 1
1 30 . 3 1 1 A 3 3 TYR CA C 3 57.850 56.704 1.146 1
1 31 . 3 1 1 A 3 3 TYR CB C 3 43.043 40.391 2.652 1
1 36 . 3 1 1 A 3 3 TYR N N 3 127.370 126.479 0.891 1
1 37 . 3 1 1 A 4 4 LYS H H 4 8.791 9.130 -0.339 1
1 38 . 3 1 1 A 4 4 LYS HA H 4 5.344 5.313 0.031 1
1 43 . 3 1 1 A 4 4 LYS C C 4 173.055 174.902 -1.847 1
1 44 . 3 1 1 A 4 4 LYS CA C 4 54.537 55.326 -0.789 1
1 45 . 3 1 1 A 4 4 LYS CB C 4 35.881 34.929 0.952 1
1 48 . 3 1 1 A 4 4 LYS N N 4 121.038 125.354 -4.316 1
1 49 . 3 1 1 A 5 5 LEU H H 5 9.005 8.628 0.377 1
1 50 . 3 1 1 A 5 5 LEU HA H 5 4.889 5.023 -0.134 1
1 60 . 3 1 1 A 5 5 LEU C C 5 174.789 174.701 0.088 1
1 61 . 3 1 1 A 5 5 LEU CA C 5 52.566 53.743 -1.177 1
1 62 . 3 1 1 A 5 5 LEU CB C 5 44.174 45.077 -0.903 1
1 65 . 3 1 1 A 5 5 LEU N N 5 126.547 126.319 0.228 1
1 66 . 3 1 1 A 6 6 ILE H H 6 9.104 8.489 0.615 1
1 67 . 3 1 1 A 6 6 ILE HA H 6 4.970 4.899 0.071 1
1 71 . 3 1 1 A 6 6 ILE C C 6 174.690 174.177 0.513 1
1 72 . 3 1 1 A 6 6 ILE CA C 6 60.313 59.139 1.174 1
1 73 . 3 1 1 A 6 6 ILE CB C 6 38.652 40.744 -2.092 1
1 76 . 3 1 1 A 6 6 ILE N N 6 126.502 121.973 4.529 1
1 77 . 3 1 1 A 7 7 LEU H H 7 8.907 9.365 -0.458 1
1 78 . 3 1 1 A 7 7 LEU HA H 7 4.452 5.650 -1.198 1
1 88 . 3 1 1 A 7 7 LEU C C 7 174.573 175.658 -1.085 1
1 89 . 3 1 1 A 7 7 LEU CA C 7 54.010 53.014 0.996 1
1 90 . 3 1 1 A 7 7 LEU CB C 7 41.072 44.350 -3.278 1
1 93 . 3 1 1 A 7 7 LEU N N 7 126.037 128.270 -2.233 1
1 94 . 3 1 1 A 8 8 ASN H H 8 8.941 8.653 0.288 1
1 95 . 3 1 1 A 8 8 ASN HA H 8 4.943 5.288 -0.345 1
1 100 . 3 1 1 A 8 8 ASN C C 8 174.323 174.690 -0.367 1
1 101 . 3 1 1 A 8 8 ASN CA C 8 51.785 52.096 -0.311 1
1 102 . 3 1 1 A 8 8 ASN CB C 8 38.008 39.752 -1.744 1
1 103 . 3 1 1 A 8 8 ASN N N 8 125.436 122.371 3.065 1
1 105 . 3 1 1 A 9 9 LEU H H 9 7.636 8.539 -0.903 1
1 106 . 3 1 1 A 9 9 LEU HA H 9 4.548 4.651 -0.103 1
1 113 . 3 1 1 A 9 9 LEU C C 9 177.230 178.002 -0.772 1
1 114 . 3 1 1 A 9 9 LEU CA C 9 53.502 53.832 -0.330 1
1 115 . 3 1 1 A 9 9 LEU CB C 9 41.569 42.590 -1.021 1
1 118 . 3 1 1 A 9 9 LEU N N 9 121.638 125.365 -3.727 1
1 119 . 3 1 1 A 10 10 LYS H H 10 9.138 8.719 0.419 1
1 120 . 3 1 1 A 10 10 LYS HA H 10 3.964 4.363 -0.399 1
1 127 . 3 1 1 A 10 10 LYS C C 10 179.119 177.506 1.613 1
1 128 . 3 1 1 A 10 10 LYS CA C 10 59.786 57.668 2.118 1
1 129 . 3 1 1 A 10 10 LYS CB C 10 31.825 32.201 -0.376 1
1 133 . 3 1 1 A 10 10 LYS N N 10 120.948 121.870 -0.922 1
1 134 . 3 1 1 A 11 11 GLN H H 11 8.432 8.138 0.294 1
1 135 . 3 1 1 A 11 11 GLN HA H 11 4.325 4.553 -0.228 1
1 140 . 3 1 1 A 11 11 GLN C C 11 175.294 176.155 -0.861 1
1 141 . 3 1 1 A 11 11 GLN CA C 11 55.903 56.206 -0.303 1
1 142 . 3 1 1 A 11 11 GLN CB C 11 29.207 30.588 -1.381 1
1 144 . 3 1 1 A 11 11 GLN N N 11 113.252 115.838 -2.586 1
1 145 . 3 1 1 A 12 12 ALA H H 12 7.079 7.719 -0.640 1
1 146 . 3 1 1 A 12 12 ALA HA H 12 4.318 4.689 -0.371 1
1 150 . 3 1 1 A 12 12 ALA C C 12 174.190 174.505 -0.315 1
1 151 . 3 1 1 A 12 12 ALA CA C 12 52.507 51.205 1.302 1
1 152 . 3 1 1 A 12 12 ALA CB C 12 21.479 23.309 -1.830 1
1 153 . 3 1 1 A 12 12 ALA N N 12 120.435 120.370 0.065 1
1 154 . 3 1 1 A 13 13 LYS H H 13 8.156 8.625 -0.469 1
1 155 . 3 1 1 A 13 13 LYS HA H 13 5.197 4.963 0.234 1
1 162 . 3 1 1 A 13 13 LYS C C 13 176.127 175.153 0.974 1
1 163 . 3 1 1 A 13 13 LYS CA C 13 55.036 54.576 0.460 1
1 164 . 3 1 1 A 13 13 LYS CB C 13 33.890 34.888 -0.998 1
1 168 . 3 1 1 A 13 13 LYS N N 13 120.644 119.683 0.961 1
1 169 . 3 1 1 A 14 14 GLU H H 14 8.545 8.805 -0.260 1
1 170 . 3 1 1 A 14 14 GLU HA H 14 4.629 5.238 -0.609 1
1 175 . 3 1 1 A 14 14 GLU C C 14 173.875 175.451 -1.576 1
1 176 . 3 1 1 A 14 14 GLU CA C 14 54.680 54.903 -0.223 1
1 177 . 3 1 1 A 14 14 GLU CB C 14 34.319 32.719 1.600 1
1 179 . 3 1 1 A 14 14 GLU N N 14 123.133 126.181 -3.048 1
1 180 . 3 1 1 A 15 15 GLU H H 15 8.532 9.059 -0.527 1
1 181 . 3 1 1 A 15 15 GLU HA H 15 5.465 5.286 0.179 1
1 186 . 3 1 1 A 15 15 GLU C C 15 175.284 174.727 0.557 1
1 188 . 3 1 1 A 15 15 GLU N N 15 120.437 120.707 -0.270 1
1 189 . 3 1 1 A 16 16 ALA H H 16 9.161 8.692 0.469 1
1 190 . 3 1 1 A 16 16 ALA HA H 16 4.731 4.862 -0.131 1
1 194 . 3 1 1 A 16 16 ALA C C 16 174.936 175.058 -0.122 1
1 195 . 3 1 1 A 16 16 ALA CA C 16 51.278 51.285 -0.007 1
1 196 . 3 1 1 A 16 16 ALA CB C 16 22.037 23.805 -1.768 1
1 197 . 3 1 1 A 16 16 ALA N N 16 126.588 121.439 5.149 1
1 198 . 3 1 1 A 17 17 ILE H H 17 8.387 8.434 -0.047 1
1 199 . 3 1 1 A 17 17 ILE HA H 17 5.325 5.008 0.317 1
1 206 . 3 1 1 A 17 17 ILE C C 17 176.066 174.796 1.270 1
1 210 . 3 1 1 A 17 17 ILE N N 17 117.620 118.701 -1.081 1
1 211 . 3 1 1 A 18 18 LYS H H 18 9.152 9.691 -0.539 1
1 212 . 3 1 1 A 18 18 LYS HA H 18 4.385 4.869 -0.484 1
1 221 . 3 1 1 A 18 18 LYS C C 18 173.587 175.001 -1.414 1
1 222 . 3 1 1 A 18 18 LYS CA C 18 55.084 53.957 1.127 1
1 223 . 3 1 1 A 18 18 LYS CB C 18 36.862 36.181 0.681 1
1 227 . 3 1 1 A 18 18 LYS N N 18 125.563 125.403 0.160 1
1 228 . 3 1 1 A 19 19 GLU H H 19 8.337 8.378 -0.041 1
1 229 . 3 1 1 A 19 19 GLU HA H 19 4.907 5.419 -0.512 1
1 234 . 3 1 1 A 19 19 GLU C C 19 175.687 175.078 0.609 1
1 235 . 3 1 1 A 19 19 GLU CA C 19 55.679 54.853 0.826 1
1 236 . 3 1 1 A 19 19 GLU CB C 19 29.158 32.810 -3.652 1
1 238 . 3 1 1 A 19 19 GLU N N 19 127.836 121.609 6.227 1
1 239 . 3 1 1 A 20 20 LEU H H 20 8.710 9.208 -0.498 1
1 240 . 3 1 1 A 20 20 LEU HA H 20 4.798 4.637 0.161 1
1 247 . 3 1 1 A 20 20 LEU C C 20 177.829 175.063 2.766 1
1 248 . 3 1 1 A 20 20 LEU CA C 20 53.519 53.333 0.186 1
1 249 . 3 1 1 A 20 20 LEU CB C 20 47.902 44.693 3.209 1
1 252 . 3 1 1 A 20 20 LEU N N 20 127.240 124.080 3.160 1
1 253 . 3 1 1 A 21 21 VAL H H 21 8.236 8.439 -0.203 1
1 254 . 3 1 1 A 21 21 VAL HA H 21 3.947 4.272 -0.325 1
1 259 . 3 1 1 A 21 21 VAL C C 21 175.301 175.645 -0.344 1
1 260 . 3 1 1 A 21 21 VAL CA C 21 64.879 63.461 1.418 1
1 261 . 3 1 1 A 21 21 VAL CB C 21 32.290 33.784 -1.494 1
1 263 . 3 1 1 A 21 21 VAL N N 21 116.513 119.939 -3.426 1
1 264 . 3 1 1 A 22 22 ASP H H 22 7.071 8.080 -1.009 1
1 265 . 3 1 1 A 22 22 ASP HA H 22 4.028 5.133 -1.105 1
1 268 . 3 1 1 A 22 22 ASP C C 22 172.221 175.810 -3.589 1
1 269 . 3 1 1 A 22 22 ASP CA C 22 52.983 52.803 0.180 1
1 270 . 3 1 1 A 22 22 ASP CB C 22 42.107 43.605 -1.498 1
1 271 . 3 1 1 A 22 22 ASP N N 22 115.040 118.576 -3.536 1
1 272 . 3 1 1 A 23 23 ALA H H 23 8.332 8.959 -0.627 1
1 273 . 3 1 1 A 23 23 ALA HA H 23 4.136 3.825 0.311 1
1 277 . 3 1 1 A 23 23 ALA C C 23 179.560 179.441 0.119 1
1 278 . 3 1 1 A 23 23 ALA CA C 23 55.215 55.086 0.129 1
1 279 . 3 1 1 A 23 23 ALA CB C 23 17.337 18.242 -0.905 1
1 280 . 3 1 1 A 23 23 ALA N N 23 121.322 126.045 -4.723 1
1 281 . 3 1 1 A 24 24 ALA H H 24 8.168 8.083 0.085 1
1 282 . 3 1 1 A 24 24 ALA HA H 24 4.000 4.013 -0.013 1
1 286 . 3 1 1 A 24 24 ALA C C 24 181.170 179.658 1.512 1
1 287 . 3 1 1 A 24 24 ALA CA C 24 54.771 55.133 -0.362 1
1 288 . 3 1 1 A 24 24 ALA CB C 24 17.274 18.923 -1.649 1
1 289 . 3 1 1 A 24 24 ALA N N 24 122.440 120.296 2.144 1
1 290 . 3 1 1 A 25 25 THR H H 25 8.444 8.021 0.423 1
1 291 . 3 1 1 A 25 25 THR HA H 25 3.924 3.851 0.073 1
1 296 . 3 1 1 A 25 25 THR C C 25 176.695 176.111 0.584 1
1 297 . 3 1 1 A 25 25 THR CA C 25 66.636 66.385 0.251 1
1 298 . 3 1 1 A 25 25 THR CB C 25 68.177 68.401 -0.224 1
1 300 . 3 1 1 A 25 25 THR N N 25 117.219 113.495 3.724 1
1 301 . 3 1 1 A 26 26 ALA H H 26 7.755 7.872 -0.117 1
1 302 . 3 1 1 A 26 26 ALA HA H 26 3.427 3.645 -0.218 1
1 306 . 3 1 1 A 26 26 ALA C C 26 176.844 179.000 -2.156 1
1 307 . 3 1 1 A 26 26 ALA CA C 26 55.025 55.445 -0.420 1
1 308 . 3 1 1 A 26 26 ALA CB C 26 17.772 17.386 0.386 1
1 309 . 3 1 1 A 26 26 ALA N N 26 125.147 123.053 2.094 1
1 310 . 3 1 1 A 27 27 GLU H H 27 8.412 9.067 -0.655 1
1 311 . 3 1 1 A 27 27 GLU HA H 27 2.758 3.638 -0.880 1
1 316 . 3 1 1 A 27 27 GLU C C 27 177.417 178.486 -1.069 1
1 317 . 3 1 1 A 27 27 GLU CA C 27 59.932 59.215 0.717 1
1 318 . 3 1 1 A 27 27 GLU CB C 27 28.943 29.089 -0.146 1
1 320 . 3 1 1 A 27 27 GLU N N 27 119.203 118.267 0.936 1
1 321 . 3 1 1 A 28 28 LYS H H 28 7.013 7.682 -0.669 1
1 322 . 3 1 1 A 28 28 LYS HA H 28 3.626 4.008 -0.382 1
1 329 . 3 1 1 A 28 28 LYS C C 28 178.802 178.575 0.227 1
1 330 . 3 1 1 A 28 28 LYS CA C 28 59.572 58.781 0.791 1
1 331 . 3 1 1 A 28 28 LYS CB C 28 32.290 32.238 0.052 1
1 335 . 3 1 1 A 28 28 LYS N N 28 116.415 119.317 -2.902 1
1 336 . 3 1 1 A 29 29 TYR H H 29 7.815 8.482 -0.667 1
1 337 . 3 1 1 A 29 29 TYR HA H 29 3.841 4.257 -0.416 1
1 344 . 3 1 1 A 29 29 TYR C C 29 178.466 177.607 0.859 1
1 345 . 3 1 1 A 29 29 TYR CA C 29 61.703 61.542 0.161 1
1 346 . 3 1 1 A 29 29 TYR CB C 29 38.193 39.066 -0.873 1
1 351 . 3 1 1 A 29 29 TYR N N 29 119.360 120.756 -1.396 1
1 352 . 3 1 1 A 30 30 PHE H H 30 8.979 9.305 -0.326 1
1 353 . 3 1 1 A 30 30 PHE HA H 30 4.451 4.254 0.197 1
1 360 . 3 1 1 A 30 30 PHE C C 30 178.342 177.808 0.534 1
1 361 . 3 1 1 A 30 30 PHE CA C 30 59.395 62.154 -2.759 1
1 362 . 3 1 1 A 30 30 PHE CB C 30 37.451 38.577 -1.126 1
1 367 . 3 1 1 A 30 30 PHE N N 30 119.088 118.495 0.593 1
1 368 . 3 1 1 A 31 31 LYS H H 31 8.464 7.792 0.672 1
1 369 . 3 1 1 A 31 31 LYS HA H 31 3.983 4.391 -0.408 1
1 376 . 3 1 1 A 31 31 LYS C C 31 179.506 179.254 0.252 1
1 377 . 3 1 1 A 31 31 LYS CA C 31 60.031 59.359 0.672 1
1 378 . 3 1 1 A 31 31 LYS CB C 31 31.236 31.818 -0.582 1
1 381 . 3 1 1 A 31 31 LYS N N 31 122.220 121.258 0.962 1
1 382 . 3 1 1 A 32 32 LEU H H 32 7.314 7.830 -0.516 1
1 383 . 3 1 1 A 32 32 LEU HA H 32 3.990 4.071 -0.081 1
1 390 . 3 1 1 A 32 32 LEU C C 32 179.565 178.964 0.601 1
1 391 . 3 1 1 A 32 32 LEU CA C 32 58.069 57.544 0.525 1
1 392 . 3 1 1 A 32 32 LEU CB C 32 41.329 41.260 0.069 1
1 395 . 3 1 1 A 32 32 LEU N N 32 120.642 119.228 1.414 1
1 396 . 3 1 1 A 33 33 TYR H H 33 8.018 8.178 -0.160 1
1 397 . 3 1 1 A 33 33 TYR HA H 33 3.999 4.118 -0.119 1
1 405 . 3 1 1 A 33 33 TYR C C 33 177.598 177.787 -0.189 1
1 406 . 3 1 1 A 33 33 TYR CA C 33 61.107 61.533 -0.426 1
1 407 . 3 1 1 A 33 33 TYR CB C 33 39.081 39.199 -0.118 1
1 412 . 3 1 1 A 33 33 TYR N N 33 122.222 119.626 2.596 1
1 413 . 3 1 1 A 34 34 ALA H H 34 8.794 8.574 0.220 1
1 414 . 3 1 1 A 34 34 ALA HA H 34 3.783 4.109 -0.326 1
1 418 . 3 1 1 A 34 34 ALA C C 34 179.307 179.543 -0.236 1
1 419 . 3 1 1 A 34 34 ALA CA C 34 54.459 55.188 -0.729 1
1 420 . 3 1 1 A 34 34 ALA CB C 34 18.376 18.425 -0.049 1
1 421 . 3 1 1 A 34 34 ALA N N 34 119.675 121.639 -1.964 1
1 422 . 3 1 1 A 35 35 ASN H H 35 8.156 7.705 0.451 1
1 423 . 3 1 1 A 35 35 ASN HA H 35 4.489 4.509 -0.020 1
1 426 . 3 1 1 A 35 35 ASN C C 35 177.869 177.393 0.476 1
1 427 . 3 1 1 A 35 35 ASN CA C 35 56.410 55.713 0.697 1
1 428 . 3 1 1 A 35 35 ASN CB C 35 38.339 38.981 -0.642 1
1 429 . 3 1 1 A 35 35 ASN N N 35 117.882 117.493 0.389 1
1 430 . 3 1 1 A 36 36 ALA H H 36 7.804 7.728 0.076 1
1 431 . 3 1 1 A 36 36 ALA HA H 36 4.087 4.042 0.045 1
1 435 . 3 1 1 A 36 36 ALA C C 36 178.579 179.317 -0.738 1
1 436 . 3 1 1 A 36 36 ALA CA C 36 53.893 54.570 -0.677 1
1 437 . 3 1 1 A 36 36 ALA CB C 36 17.782 18.239 -0.457 1
1 438 . 3 1 1 A 36 36 ALA N N 36 121.244 121.708 -0.464 1
1 439 . 3 1 1 A 37 37 LYS H H 37 7.380 8.116 -0.736 1
1 440 . 3 1 1 A 37 37 LYS HA H 37 4.164 3.988 0.176 1
1 447 . 3 1 1 A 37 37 LYS C C 37 175.831 178.398 -2.567 1
1 448 . 3 1 1 A 37 37 LYS CA C 37 56.020 58.985 -2.965 1
1 449 . 3 1 1 A 37 37 LYS CB C 37 32.876 32.243 0.633 1
1 453 . 3 1 1 A 37 37 LYS N N 37 116.585 117.259 -0.674 1
1 454 . 3 1 1 A 38 38 THR H H 38 7.891 7.319 0.572 1
1 455 . 3 1 1 A 38 38 THR HA H 38 4.144 4.431 -0.287 1
1 460 . 3 1 1 A 38 38 THR C C 38 172.820 174.607 -1.787 1
1 461 . 3 1 1 A 38 38 THR CA C 38 61.719 62.140 -0.421 1
1 462 . 3 1 1 A 38 38 THR CB C 38 68.688 69.020 -0.332 1
1 464 . 3 1 1 A 38 38 THR N N 38 113.375 108.535 4.840 1
1 465 . 3 1 1 A 39 39 VAL H H 39 7.939 7.769 0.170 1
1 466 . 3 1 1 A 39 39 VAL HA H 39 4.148 4.432 -0.284 1
1 471 . 3 1 1 A 39 39 VAL C C 39 174.525 173.026 1.499 1
1 472 . 3 1 1 A 39 39 VAL CA C 39 62.125 59.475 2.650 1
1 473 . 3 1 1 A 39 39 VAL CB C 39 32.720 34.649 -1.929 1
1 475 . 3 1 1 A 39 39 VAL N N 39 120.564 117.944 2.620 1
1 476 . 3 1 1 A 40 40 GLU H H 40 8.586 8.688 -0.102 1
1 477 . 3 1 1 A 40 40 GLU HA H 40 4.533 5.000 -0.467 1
1 482 . 3 1 1 A 40 40 GLU C C 40 175.158 175.459 -0.301 1
1 483 . 3 1 1 A 40 40 GLU CA C 40 55.211 54.891 0.320 1
1 484 . 3 1 1 A 40 40 GLU CB C 40 31.130 31.589 -0.459 1
1 486 . 3 1 1 A 40 40 GLU N N 40 126.113 122.149 3.964 1
1 487 . 3 1 1 A 41 41 GLY H H 41 8.042 8.562 -0.520 1
1 488 . 3 1 1 A 41 41 GLY HA2 H 41 4.059 4.076 -0.017 1
1 489 . 3 1 1 A 41 41 GLY HA3 H 41 3.533 4.141 -0.608 1
1 490 . 3 1 1 A 41 41 GLY C C 41 174.994 172.998 1.996 1
1 491 . 3 1 1 A 41 41 GLY CA C 41 45.300 44.464 0.836 1
1 492 . 3 1 1 A 41 41 GLY N N 41 107.727 113.291 -5.564 1
1 493 . 3 1 1 A 42 42 VAL H H 42 8.349 8.301 0.048 1
1 494 . 3 1 1 A 42 42 VAL HA H 42 4.303 4.190 0.113 1
1 499 . 3 1 1 A 42 42 VAL C C 42 176.649 175.791 0.858 1
1 500 . 3 1 1 A 42 42 VAL CA C 42 62.243 61.830 0.413 1
1 501 . 3 1 1 A 42 42 VAL CB C 42 33.763 32.663 1.100 1
1 503 . 3 1 1 A 42 42 VAL N N 42 121.379 119.062 2.317 1
1 504 . 3 1 1 A 43 43 TRP H H 43 9.250 9.033 0.217 1
1 505 . 3 1 1 A 43 43 TRP HA H 43 5.104 5.737 -0.633 1
1 514 . 3 1 1 A 43 43 TRP C C 43 177.089 175.171 1.918 1
1 515 . 3 1 1 A 43 43 TRP CA C 43 57.991 55.636 2.355 1
1 516 . 3 1 1 A 43 43 TRP CB C 43 29.904 33.856 -3.952 1
1 521 . 3 1 1 A 43 43 TRP N N 43 130.568 123.092 7.476 1
1 523 . 3 1 1 A 44 44 THR H H 44 9.219 9.093 0.126 1
1 524 . 3 1 1 A 44 44 THR HA H 44 4.694 4.941 -0.247 1
1 529 . 3 1 1 A 44 44 THR C C 44 172.706 173.008 -0.302 1
1 530 . 3 1 1 A 44 44 THR CA C 44 60.957 61.386 -0.429 1
1 531 . 3 1 1 A 44 44 THR CB C 44 72.616 72.365 0.251 1
1 533 . 3 1 1 A 44 44 THR N N 44 114.918 115.406 -0.488 1
1 534 . 3 1 1 A 45 45 TYR H H 45 8.553 8.970 -0.417 1
1 535 . 3 1 1 A 45 45 TYR HA H 45 5.002 5.378 -0.376 1
1 540 . 3 1 1 A 45 45 TYR C C 45 173.745 173.774 -0.029 1
1 541 . 3 1 1 A 45 45 TYR CA C 45 57.249 56.229 1.020 1
1 542 . 3 1 1 A 45 45 TYR CB C 45 41.719 42.289 -0.570 1
1 545 . 3 1 1 A 45 45 TYR N N 45 121.490 126.652 -5.162 1
1 546 . 3 1 1 A 46 46 LYS H H 46 7.348 8.268 -0.920 1
1 547 . 3 1 1 A 46 46 LYS HA H 46 4.222 4.708 -0.486 1
1 554 . 3 1 1 A 46 46 LYS C C 46 175.715 175.500 0.215 1
1 555 . 3 1 1 A 46 46 LYS CA C 46 53.576 54.473 -0.897 1
1 556 . 3 1 1 A 46 46 LYS CB C 46 33.582 35.045 -1.463 1
1 560 . 3 1 1 A 46 46 LYS N N 46 129.620 126.238 3.382 1
1 561 . 3 1 1 A 47 47 ASP H H 47 8.578 8.701 -0.123 1
1 562 . 3 1 1 A 47 47 ASP HA H 47 4.126 4.814 -0.688 1
1 565 . 3 1 1 A 47 47 ASP C C 47 179.207 176.281 2.926 1
1 566 . 3 1 1 A 47 47 ASP CA C 47 57.191 53.931 3.260 1
1 567 . 3 1 1 A 47 47 ASP CB C 47 41.969 41.158 0.811 1
1 568 . 3 1 1 A 47 47 ASP N N 47 125.757 125.903 -0.146 1
1 569 . 3 1 1 A 48 48 GLU H H 48 9.445 8.197 1.248 1
1 570 . 3 1 1 A 48 48 GLU HA H 48 3.918 4.210 -0.292 1
1 575 . 3 1 1 A 48 48 GLU C C 48 177.578 176.443 1.135 1
1 576 . 3 1 1 A 48 48 GLU CA C 48 60.066 57.900 2.166 1
1 577 . 3 1 1 A 48 48 GLU CB C 48 29.343 30.837 -1.494 1
1 579 . 3 1 1 A 48 48 GLU N N 48 117.612 119.677 -2.065 1
1 580 . 3 1 1 A 49 49 THR H H 49 6.624 7.829 -1.205 1
1 581 . 3 1 1 A 49 49 THR HA H 49 4.414 4.525 -0.111 1
1 586 . 3 1 1 A 49 49 THR C C 49 175.232 174.039 1.193 1
1 587 . 3 1 1 A 49 49 THR CA C 49 59.873 60.911 -1.038 1
1 588 . 3 1 1 A 49 49 THR CB C 49 69.188 69.873 -0.685 1
1 590 . 3 1 1 A 49 49 THR N N 49 103.078 113.635 -10.557 1
1 591 . 3 1 1 A 50 50 LYS H H 50 7.828 7.850 -0.022 1
1 592 . 3 1 1 A 50 50 LYS HA H 50 4.139 4.181 -0.042 1
1 597 . 3 1 1 A 50 50 LYS C C 50 174.786 174.978 -0.192 1
1 598 . 3 1 1 A 50 50 LYS CA C 50 55.981 56.750 -0.769 1
1 599 . 3 1 1 A 50 50 LYS CB C 50 29.258 30.488 -1.230 1
1 602 . 3 1 1 A 50 50 LYS N N 50 123.628 116.940 6.688 1
1 603 . 3 1 1 A 51 51 THR H H 51 7.216 7.168 0.048 1
1 604 . 3 1 1 A 51 51 THR HA H 51 5.433 5.271 0.162 1
1 609 . 3 1 1 A 51 51 THR C C 51 174.574 173.008 1.566 1
1 610 . 3 1 1 A 51 51 THR CA C 51 62.224 61.363 0.861 1
1 611 . 3 1 1 A 51 51 THR CB C 51 72.346 71.975 0.371 1
1 613 . 3 1 1 A 51 51 THR N N 51 110.763 113.607 -2.844 1
1 614 . 3 1 1 A 52 52 PHE H H 52 10.222 9.907 0.315 1
1 615 . 3 1 1 A 52 52 PHE HA H 52 5.447 5.694 -0.247 1
1 622 . 3 1 1 A 52 52 PHE C C 52 174.401 175.471 -1.070 1
1 623 . 3 1 1 A 52 52 PHE CA C 52 57.269 56.377 0.892 1
1 624 . 3 1 1 A 52 52 PHE CB C 52 42.143 42.544 -0.401 1
1 629 . 3 1 1 A 52 52 PHE N N 52 130.993 125.341 5.652 1
1 630 . 3 1 1 A 53 53 THR H H 53 9.099 9.296 -0.197 1
1 631 . 3 1 1 A 53 53 THR HA H 53 5.108 5.049 0.059 1
1 636 . 3 1 1 A 53 53 THR C C 53 172.565 172.658 -0.093 1
1 637 . 3 1 1 A 53 53 THR CA C 53 61.737 61.573 0.164 1
1 638 . 3 1 1 A 53 53 THR CB C 53 70.663 71.384 -0.721 1
1 640 . 3 1 1 A 53 53 THR N N 53 117.968 114.874 3.094 1
1 641 . 3 1 1 A 54 54 VAL H H 54 8.496 8.477 0.019 1
1 642 . 3 1 1 A 54 54 VAL HA H 54 4.410 4.996 -0.586 1
1 650 . 3 1 1 A 54 54 VAL C C 54 173.790 173.392 0.398 1
1 651 . 3 1 1 A 54 54 VAL CA C 54 59.103 59.916 -0.813 1
1 652 . 3 1 1 A 54 54 VAL CB C 54 32.651 34.608 -1.957 1
1 655 . 3 1 1 A 54 54 VAL N N 54 125.071 125.959 -0.888 1
1 656 . 3 1 1 A 55 55 THR H H 55 8.265 8.253 0.012 1
1 657 . 3 1 1 A 55 55 THR HA H 55 4.792 4.856 -0.064 1
1 662 . 3 1 1 A 55 55 THR C C 55 173.789 171.884 1.905 1
1 663 . 3 1 1 A 55 55 THR CA C 55 61.035 59.993 1.042 1
1 664 . 3 1 1 A 55 55 THR CB C 55 71.261 70.451 0.810 1
1 666 . 3 1 1 A 55 55 THR N N 55 122.202 120.868 1.334 1
1 10 . 4 1 1 A 2 2 THR H H 2 8.719 7.950 0.769 1
1 11 . 4 1 1 A 2 2 THR HA H 2 4.251 4.937 -0.686 1
1 16 . 4 1 1 A 2 2 THR C C 2 172.951 172.437 0.514 1
1 17 . 4 1 1 A 2 2 THR CA C 2 63.748 59.623 4.125 1
1 18 . 4 1 1 A 2 2 THR CB C 2 68.568 70.933 -2.365 1
1 20 . 4 1 1 A 2 2 THR N N 2 123.894 113.867 10.027 1
1 21 . 4 1 1 A 3 3 TYR H H 3 8.841 9.241 -0.400 1
1 22 . 4 1 1 A 3 3 TYR HA H 3 5.289 5.137 0.152 1
1 29 . 4 1 1 A 3 3 TYR C C 3 173.975 174.917 -0.942 1
1 30 . 4 1 1 A 3 3 TYR CA C 3 57.850 57.037 0.813 1
1 31 . 4 1 1 A 3 3 TYR CB C 3 43.043 40.568 2.475 1
1 36 . 4 1 1 A 3 3 TYR N N 3 127.370 128.105 -0.735 1
1 37 . 4 1 1 A 4 4 LYS H H 4 8.791 9.053 -0.262 1
1 38 . 4 1 1 A 4 4 LYS HA H 4 5.344 5.446 -0.102 1
1 43 . 4 1 1 A 4 4 LYS C C 4 173.055 174.626 -1.571 1
1 44 . 4 1 1 A 4 4 LYS CA C 4 54.537 55.072 -0.535 1
1 45 . 4 1 1 A 4 4 LYS CB C 4 35.881 35.748 0.133 1
1 48 . 4 1 1 A 4 4 LYS N N 4 121.038 123.329 -2.291 1
1 49 . 4 1 1 A 5 5 LEU H H 5 9.005 8.997 0.008 1
1 50 . 4 1 1 A 5 5 LEU HA H 5 4.889 5.125 -0.236 1
1 60 . 4 1 1 A 5 5 LEU C C 5 174.789 174.858 -0.069 1
1 61 . 4 1 1 A 5 5 LEU CA C 5 52.566 53.464 -0.898 1
1 62 . 4 1 1 A 5 5 LEU CB C 5 44.174 45.049 -0.875 1
1 65 . 4 1 1 A 5 5 LEU N N 5 126.547 127.188 -0.641 1
1 66 . 4 1 1 A 6 6 ILE H H 6 9.104 8.565 0.539 1
1 67 . 4 1 1 A 6 6 ILE HA H 6 4.970 4.930 0.040 1
1 71 . 4 1 1 A 6 6 ILE C C 6 174.690 174.059 0.631 1
1 72 . 4 1 1 A 6 6 ILE CA C 6 60.313 59.334 0.979 1
1 73 . 4 1 1 A 6 6 ILE CB C 6 38.652 40.821 -2.169 1
1 76 . 4 1 1 A 6 6 ILE N N 6 126.502 122.508 3.994 1
1 77 . 4 1 1 A 7 7 LEU H H 7 8.907 9.358 -0.451 1
1 78 . 4 1 1 A 7 7 LEU HA H 7 4.452 5.595 -1.143 1
1 88 . 4 1 1 A 7 7 LEU C C 7 174.573 175.137 -0.564 1
1 89 . 4 1 1 A 7 7 LEU CA C 7 54.010 53.070 0.940 1
1 90 . 4 1 1 A 7 7 LEU CB C 7 41.072 43.137 -2.065 1
1 93 . 4 1 1 A 7 7 LEU N N 7 126.037 128.060 -2.023 1
1 94 . 4 1 1 A 8 8 ASN H H 8 8.941 8.505 0.436 1
1 95 . 4 1 1 A 8 8 ASN HA H 8 4.943 5.215 -0.272 1
1 100 . 4 1 1 A 8 8 ASN C C 8 174.323 174.715 -0.392 1
1 101 . 4 1 1 A 8 8 ASN CA C 8 51.785 52.280 -0.495 1
1 102 . 4 1 1 A 8 8 ASN CB C 8 38.008 39.579 -1.571 1
1 103 . 4 1 1 A 8 8 ASN N N 8 125.436 123.392 2.044 1
1 105 . 4 1 1 A 9 9 LEU H H 9 7.636 8.500 -0.864 1
1 106 . 4 1 1 A 9 9 LEU HA H 9 4.548 4.747 -0.199 1
1 113 . 4 1 1 A 9 9 LEU C C 9 177.230 176.742 0.488 1
1 114 . 4 1 1 A 9 9 LEU CA C 9 53.502 53.602 -0.100 1
1 115 . 4 1 1 A 9 9 LEU CB C 9 41.569 42.604 -1.035 1
1 118 . 4 1 1 A 9 9 LEU N N 9 121.638 126.215 -4.577 1
1 119 . 4 1 1 A 10 10 LYS H H 10 9.138 8.495 0.643 1
1 120 . 4 1 1 A 10 10 LYS HA H 10 3.964 4.359 -0.395 1
1 127 . 4 1 1 A 10 10 LYS C C 10 179.119 176.507 2.612 1
1 128 . 4 1 1 A 10 10 LYS CA C 10 59.786 55.530 4.256 1
1 129 . 4 1 1 A 10 10 LYS CB C 10 31.825 30.914 0.911 1
1 133 . 4 1 1 A 10 10 LYS N N 10 120.948 121.683 -0.735 1
1 134 . 4 1 1 A 11 11 GLN H H 11 8.432 7.804 0.628 1
1 135 . 4 1 1 A 11 11 GLN HA H 11 4.325 4.495 -0.170 1
1 140 . 4 1 1 A 11 11 GLN C C 11 175.294 175.438 -0.144 1
1 141 . 4 1 1 A 11 11 GLN CA C 11 55.903 56.063 -0.160 1
1 142 . 4 1 1 A 11 11 GLN CB C 11 29.207 30.765 -1.558 1
1 144 . 4 1 1 A 11 11 GLN N N 11 113.252 119.953 -6.701 1
1 145 . 4 1 1 A 12 12 ALA H H 12 7.079 7.651 -0.572 1
1 146 . 4 1 1 A 12 12 ALA HA H 12 4.318 4.783 -0.465 1
1 150 . 4 1 1 A 12 12 ALA C C 12 174.190 175.188 -0.998 1
1 151 . 4 1 1 A 12 12 ALA CA C 12 52.507 51.400 1.107 1
1 152 . 4 1 1 A 12 12 ALA CB C 12 21.479 22.789 -1.310 1
1 153 . 4 1 1 A 12 12 ALA N N 12 120.435 120.440 -0.005 1
1 154 . 4 1 1 A 13 13 LYS H H 13 8.156 8.460 -0.304 1
1 155 . 4 1 1 A 13 13 LYS HA H 13 5.197 4.931 0.266 1
1 162 . 4 1 1 A 13 13 LYS C C 13 176.127 174.565 1.562 1
1 163 . 4 1 1 A 13 13 LYS CA C 13 55.036 55.093 -0.057 1
1 164 . 4 1 1 A 13 13 LYS CB C 13 33.890 33.719 0.171 1
1 168 . 4 1 1 A 13 13 LYS N N 13 120.644 119.316 1.328 1
1 169 . 4 1 1 A 14 14 GLU H H 14 8.545 8.856 -0.311 1
1 170 . 4 1 1 A 14 14 GLU HA H 14 4.629 5.103 -0.474 1
1 175 . 4 1 1 A 14 14 GLU C C 14 173.875 175.113 -1.238 1
1 176 . 4 1 1 A 14 14 GLU CA C 14 54.680 54.570 0.110 1
1 177 . 4 1 1 A 14 14 GLU CB C 14 34.319 32.579 1.740 1
1 179 . 4 1 1 A 14 14 GLU N N 14 123.133 125.379 -2.246 1
1 180 . 4 1 1 A 15 15 GLU H H 15 8.532 9.031 -0.499 1
1 181 . 4 1 1 A 15 15 GLU HA H 15 5.465 5.260 0.205 1
1 186 . 4 1 1 A 15 15 GLU C C 15 175.284 174.572 0.712 1
1 188 . 4 1 1 A 15 15 GLU N N 15 120.437 124.966 -4.529 1
1 189 . 4 1 1 A 16 16 ALA H H 16 9.161 8.677 0.484 1
1 190 . 4 1 1 A 16 16 ALA HA H 16 4.731 4.887 -0.156 1
1 194 . 4 1 1 A 16 16 ALA C C 16 174.936 175.308 -0.372 1
1 195 . 4 1 1 A 16 16 ALA CA C 16 51.278 51.352 -0.074 1
1 196 . 4 1 1 A 16 16 ALA CB C 16 22.037 23.780 -1.743 1
1 197 . 4 1 1 A 16 16 ALA N N 16 126.588 121.275 5.313 1
1 198 . 4 1 1 A 17 17 ILE H H 17 8.387 8.883 -0.496 1
1 199 . 4 1 1 A 17 17 ILE HA H 17 5.325 5.174 0.151 1
1 206 . 4 1 1 A 17 17 ILE C C 17 176.066 173.570 2.496 1
1 210 . 4 1 1 A 17 17 ILE N N 17 117.620 119.539 -1.919 1
1 211 . 4 1 1 A 18 18 LYS H H 18 9.152 9.836 -0.684 1
1 212 . 4 1 1 A 18 18 LYS HA H 18 4.385 4.864 -0.479 1
1 221 . 4 1 1 A 18 18 LYS C C 18 173.587 175.423 -1.836 1
1 222 . 4 1 1 A 18 18 LYS CA C 18 55.084 53.986 1.098 1
1 223 . 4 1 1 A 18 18 LYS CB C 18 36.862 35.951 0.911 1
1 227 . 4 1 1 A 18 18 LYS N N 18 125.563 127.984 -2.421 1
1 228 . 4 1 1 A 19 19 GLU H H 19 8.337 8.341 -0.004 1
1 229 . 4 1 1 A 19 19 GLU HA H 19 4.907 5.365 -0.458 1
1 234 . 4 1 1 A 19 19 GLU C C 19 175.687 175.202 0.485 1
1 235 . 4 1 1 A 19 19 GLU CA C 19 55.679 55.113 0.566 1
1 236 . 4 1 1 A 19 19 GLU CB C 19 29.158 31.435 -2.277 1
1 238 . 4 1 1 A 19 19 GLU N N 19 127.836 120.008 7.828 1
1 239 . 4 1 1 A 20 20 LEU H H 20 8.710 8.818 -0.108 1
1 240 . 4 1 1 A 20 20 LEU HA H 20 4.798 4.829 -0.031 1
1 247 . 4 1 1 A 20 20 LEU C C 20 177.829 176.140 1.689 1
1 248 . 4 1 1 A 20 20 LEU CA C 20 53.519 53.014 0.505 1
1 249 . 4 1 1 A 20 20 LEU CB C 20 47.902 44.960 2.942 1
1 252 . 4 1 1 A 20 20 LEU N N 20 127.240 125.535 1.705 1
1 253 . 4 1 1 A 21 21 VAL H H 21 8.236 8.432 -0.196 1
1 254 . 4 1 1 A 21 21 VAL HA H 21 3.947 4.409 -0.462 1
1 259 . 4 1 1 A 21 21 VAL C C 21 175.301 174.936 0.365 1
1 260 . 4 1 1 A 21 21 VAL CA C 21 64.879 62.341 2.538 1
1 261 . 4 1 1 A 21 21 VAL CB C 21 32.290 33.471 -1.181 1
1 263 . 4 1 1 A 21 21 VAL N N 21 116.513 117.509 -0.996 1
1 264 . 4 1 1 A 22 22 ASP H H 22 7.071 8.095 -1.024 1
1 265 . 4 1 1 A 22 22 ASP HA H 22 4.028 5.168 -1.140 1
1 268 . 4 1 1 A 22 22 ASP C C 22 172.221 176.256 -4.035 1
1 269 . 4 1 1 A 22 22 ASP CA C 22 52.983 52.432 0.551 1
1 270 . 4 1 1 A 22 22 ASP CB C 22 42.107 43.402 -1.295 1
1 271 . 4 1 1 A 22 22 ASP N N 22 115.040 121.353 -6.313 1
1 272 . 4 1 1 A 23 23 ALA H H 23 8.332 8.863 -0.531 1
1 273 . 4 1 1 A 23 23 ALA HA H 23 4.136 3.830 0.306 1
1 277 . 4 1 1 A 23 23 ALA C C 23 179.560 179.643 -0.083 1
1 278 . 4 1 1 A 23 23 ALA CA C 23 55.215 55.131 0.084 1
1 279 . 4 1 1 A 23 23 ALA CB C 23 17.337 18.138 -0.801 1
1 280 . 4 1 1 A 23 23 ALA N N 23 121.322 127.102 -5.780 1
1 281 . 4 1 1 A 24 24 ALA H H 24 8.168 7.756 0.412 1
1 282 . 4 1 1 A 24 24 ALA HA H 24 4.000 3.991 0.009 1
1 286 . 4 1 1 A 24 24 ALA C C 24 181.170 179.573 1.597 1
1 287 . 4 1 1 A 24 24 ALA CA C 24 54.771 55.161 -0.390 1
1 288 . 4 1 1 A 24 24 ALA CB C 24 17.274 18.948 -1.674 1
1 289 . 4 1 1 A 24 24 ALA N N 24 122.440 120.158 2.282 1
1 290 . 4 1 1 A 25 25 THR H H 25 8.444 7.977 0.467 1
1 291 . 4 1 1 A 25 25 THR HA H 25 3.924 3.843 0.081 1
1 296 . 4 1 1 A 25 25 THR C C 25 176.695 176.150 0.545 1
1 297 . 4 1 1 A 25 25 THR CA C 25 66.636 66.420 0.216 1
1 298 . 4 1 1 A 25 25 THR CB C 25 68.177 68.432 -0.255 1
1 300 . 4 1 1 A 25 25 THR N N 25 117.219 113.499 3.720 1
1 301 . 4 1 1 A 26 26 ALA H H 26 7.755 8.048 -0.293 1
1 302 . 4 1 1 A 26 26 ALA HA H 26 3.427 3.573 -0.146 1
1 306 . 4 1 1 A 26 26 ALA C C 26 176.844 180.234 -3.390 1
1 307 . 4 1 1 A 26 26 ALA CA C 26 55.025 55.394 -0.369 1
1 308 . 4 1 1 A 26 26 ALA CB C 26 17.772 17.445 0.327 1
1 309 . 4 1 1 A 26 26 ALA N N 26 125.147 123.071 2.076 1
1 310 . 4 1 1 A 27 27 GLU H H 27 8.412 8.901 -0.489 1
1 311 . 4 1 1 A 27 27 GLU HA H 27 2.758 3.758 -1.000 1
1 316 . 4 1 1 A 27 27 GLU C C 27 177.417 179.173 -1.756 1
1 317 . 4 1 1 A 27 27 GLU CA C 27 59.932 59.343 0.589 1
1 318 . 4 1 1 A 27 27 GLU CB C 27 28.943 29.160 -0.217 1
1 320 . 4 1 1 A 27 27 GLU N N 27 119.203 117.892 1.311 1
1 321 . 4 1 1 A 28 28 LYS H H 28 7.013 7.720 -0.707 1
1 322 . 4 1 1 A 28 28 LYS HA H 28 3.626 4.021 -0.395 1
1 329 . 4 1 1 A 28 28 LYS C C 28 178.802 178.473 0.329 1
1 330 . 4 1 1 A 28 28 LYS CA C 28 59.572 58.835 0.737 1
1 331 . 4 1 1 A 28 28 LYS CB C 28 32.290 32.444 -0.154 1
1 335 . 4 1 1 A 28 28 LYS N N 28 116.415 120.875 -4.460 1
1 336 . 4 1 1 A 29 29 TYR H H 29 7.815 8.136 -0.321 1
1 337 . 4 1 1 A 29 29 TYR HA H 29 3.841 4.215 -0.374 1
1 344 . 4 1 1 A 29 29 TYR C C 29 178.466 177.482 0.984 1
1 345 . 4 1 1 A 29 29 TYR CA C 29 61.703 61.641 0.062 1
1 346 . 4 1 1 A 29 29 TYR CB C 29 38.193 38.714 -0.521 1
1 351 . 4 1 1 A 29 29 TYR N N 29 119.360 120.573 -1.213 1
1 352 . 4 1 1 A 30 30 PHE H H 30 8.979 8.978 0.001 1
1 353 . 4 1 1 A 30 30 PHE HA H 30 4.451 4.425 0.026 1
1 360 . 4 1 1 A 30 30 PHE C C 30 178.342 178.027 0.315 1
1 361 . 4 1 1 A 30 30 PHE CA C 30 59.395 62.025 -2.630 1
1 362 . 4 1 1 A 30 30 PHE CB C 30 37.451 38.586 -1.135 1
1 367 . 4 1 1 A 30 30 PHE N N 30 119.088 118.163 0.925 1
1 368 . 4 1 1 A 31 31 LYS H H 31 8.464 8.181 0.283 1
1 369 . 4 1 1 A 31 31 LYS HA H 31 3.983 4.378 -0.395 1
1 376 . 4 1 1 A 31 31 LYS C C 31 179.506 179.110 0.396 1
1 377 . 4 1 1 A 31 31 LYS CA C 31 60.031 59.881 0.150 1
1 378 . 4 1 1 A 31 31 LYS CB C 31 31.236 32.061 -0.825 1
1 381 . 4 1 1 A 31 31 LYS N N 31 122.220 120.007 2.213 1
1 382 . 4 1 1 A 32 32 LEU H H 32 7.314 7.973 -0.659 1
1 383 . 4 1 1 A 32 32 LEU HA H 32 3.990 3.968 0.022 1
1 390 . 4 1 1 A 32 32 LEU C C 32 179.565 178.994 0.571 1
1 391 . 4 1 1 A 32 32 LEU CA C 32 58.069 57.711 0.358 1
1 392 . 4 1 1 A 32 32 LEU CB C 32 41.329 41.033 0.296 1
1 395 . 4 1 1 A 32 32 LEU N N 32 120.642 119.281 1.361 1
1 396 . 4 1 1 A 33 33 TYR H H 33 8.018 8.217 -0.199 1
1 397 . 4 1 1 A 33 33 TYR HA H 33 3.999 4.106 -0.107 1
1 405 . 4 1 1 A 33 33 TYR C C 33 177.598 177.467 0.131 1
1 406 . 4 1 1 A 33 33 TYR CA C 33 61.107 61.715 -0.608 1
1 407 . 4 1 1 A 33 33 TYR CB C 33 39.081 38.958 0.123 1
1 412 . 4 1 1 A 33 33 TYR N N 33 122.222 119.291 2.931 1
1 413 . 4 1 1 A 34 34 ALA H H 34 8.794 8.549 0.245 1
1 414 . 4 1 1 A 34 34 ALA HA H 34 3.783 4.113 -0.330 1
1 418 . 4 1 1 A 34 34 ALA C C 34 179.307 180.426 -1.119 1
1 419 . 4 1 1 A 34 34 ALA CA C 34 54.459 55.215 -0.756 1
1 420 . 4 1 1 A 34 34 ALA CB C 34 18.376 18.404 -0.028 1
1 421 . 4 1 1 A 34 34 ALA N N 34 119.675 121.615 -1.940 1
1 422 . 4 1 1 A 35 35 ASN H H 35 8.156 8.292 -0.136 1
1 423 . 4 1 1 A 35 35 ASN HA H 35 4.489 4.442 0.047 1
1 426 . 4 1 1 A 35 35 ASN C C 35 177.869 176.845 1.024 1
1 427 . 4 1 1 A 35 35 ASN CA C 35 56.410 55.814 0.596 1
1 428 . 4 1 1 A 35 35 ASN CB C 35 38.339 38.572 -0.233 1
1 429 . 4 1 1 A 35 35 ASN N N 35 117.882 117.204 0.678 1
1 430 . 4 1 1 A 36 36 ALA H H 36 7.804 7.451 0.353 1
1 431 . 4 1 1 A 36 36 ALA HA H 36 4.087 4.225 -0.138 1
1 435 . 4 1 1 A 36 36 ALA C C 36 178.579 179.059 -0.480 1
1 436 . 4 1 1 A 36 36 ALA CA C 36 53.893 54.602 -0.709 1
1 437 . 4 1 1 A 36 36 ALA CB C 36 17.782 19.267 -1.485 1
1 438 . 4 1 1 A 36 36 ALA N N 36 121.244 121.348 -0.104 1
1 439 . 4 1 1 A 37 37 LYS H H 37 7.380 8.406 -1.026 1
1 440 . 4 1 1 A 37 37 LYS HA H 37 4.164 3.784 0.380 1
1 447 . 4 1 1 A 37 37 LYS C C 37 175.831 176.506 -0.675 1
1 448 . 4 1 1 A 37 37 LYS CA C 37 56.020 59.662 -3.642 1
1 449 . 4 1 1 A 37 37 LYS CB C 37 32.876 32.043 0.833 1
1 453 . 4 1 1 A 37 37 LYS N N 37 116.585 117.746 -1.161 1
1 454 . 4 1 1 A 38 38 THR H H 38 7.891 7.554 0.337 1
1 455 . 4 1 1 A 38 38 THR HA H 38 4.144 4.740 -0.596 1
1 460 . 4 1 1 A 38 38 THR C C 38 172.820 173.297 -0.477 1
1 461 . 4 1 1 A 38 38 THR CA C 38 61.719 60.307 1.412 1
1 462 . 4 1 1 A 38 38 THR CB C 38 68.688 70.063 -1.375 1
1 464 . 4 1 1 A 38 38 THR N N 38 113.375 109.762 3.613 1
1 465 . 4 1 1 A 39 39 VAL H H 39 7.939 8.388 -0.449 1
1 466 . 4 1 1 A 39 39 VAL HA H 39 4.148 4.546 -0.398 1
1 471 . 4 1 1 A 39 39 VAL C C 39 174.525 174.437 0.088 1
1 472 . 4 1 1 A 39 39 VAL CA C 39 62.125 60.052 2.073 1
1 473 . 4 1 1 A 39 39 VAL CB C 39 32.720 33.537 -0.817 1
1 475 . 4 1 1 A 39 39 VAL N N 39 120.564 121.280 -0.716 1
1 476 . 4 1 1 A 40 40 GLU H H 40 8.586 8.506 0.080 1
1 477 . 4 1 1 A 40 40 GLU HA H 40 4.533 4.951 -0.418 1
1 482 . 4 1 1 A 40 40 GLU C C 40 175.158 175.892 -0.734 1
1 483 . 4 1 1 A 40 40 GLU CA C 40 55.211 55.316 -0.105 1
1 484 . 4 1 1 A 40 40 GLU CB C 40 31.130 30.914 0.216 1
1 486 . 4 1 1 A 40 40 GLU N N 40 126.113 126.374 -0.261 1
1 487 . 4 1 1 A 41 41 GLY H H 41 8.042 8.592 -0.550 1
1 488 . 4 1 1 A 41 41 GLY HA2 H 41 4.059 4.139 -0.080 1
1 489 . 4 1 1 A 41 41 GLY HA3 H 41 3.533 4.197 -0.664 1
1 490 . 4 1 1 A 41 41 GLY C C 41 174.994 172.757 2.237 1
1 491 . 4 1 1 A 41 41 GLY CA C 41 45.300 44.864 0.436 1
1 492 . 4 1 1 A 41 41 GLY N N 41 107.727 112.787 -5.060 1
1 493 . 4 1 1 A 42 42 VAL H H 42 8.349 8.108 0.241 1
1 494 . 4 1 1 A 42 42 VAL HA H 42 4.303 4.258 0.045 1
1 499 . 4 1 1 A 42 42 VAL C C 42 176.649 174.932 1.717 1
1 500 . 4 1 1 A 42 42 VAL CA C 42 62.243 62.396 -0.153 1
1 501 . 4 1 1 A 42 42 VAL CB C 42 33.763 32.742 1.021 1
1 503 . 4 1 1 A 42 42 VAL N N 42 121.379 120.492 0.887 1
1 504 . 4 1 1 A 43 43 TRP H H 43 9.250 9.287 -0.037 1
1 505 . 4 1 1 A 43 43 TRP HA H 43 5.104 5.482 -0.378 1
1 514 . 4 1 1 A 43 43 TRP C C 43 177.089 176.050 1.039 1
1 515 . 4 1 1 A 43 43 TRP CA C 43 57.991 55.309 2.682 1
1 516 . 4 1 1 A 43 43 TRP CB C 43 29.904 31.352 -1.448 1
1 521 . 4 1 1 A 43 43 TRP N N 43 130.568 129.107 1.461 1
1 523 . 4 1 1 A 44 44 THR H H 44 9.219 9.087 0.132 1
1 524 . 4 1 1 A 44 44 THR HA H 44 4.694 5.073 -0.379 1
1 529 . 4 1 1 A 44 44 THR C C 44 172.706 172.545 0.161 1
1 530 . 4 1 1 A 44 44 THR CA C 44 60.957 61.565 -0.608 1
1 531 . 4 1 1 A 44 44 THR CB C 44 72.616 71.128 1.488 1
1 533 . 4 1 1 A 44 44 THR N N 44 114.918 117.319 -2.401 1
1 534 . 4 1 1 A 45 45 TYR H H 45 8.553 9.165 -0.612 1
1 535 . 4 1 1 A 45 45 TYR HA H 45 5.002 4.881 0.121 1
1 540 . 4 1 1 A 45 45 TYR C C 45 173.745 174.125 -0.380 1
1 541 . 4 1 1 A 45 45 TYR CA C 45 57.249 58.130 -0.881 1
1 542 . 4 1 1 A 45 45 TYR CB C 45 41.719 39.940 1.779 1
1 545 . 4 1 1 A 45 45 TYR N N 45 121.490 128.721 -7.231 1
1 546 . 4 1 1 A 46 46 LYS H H 46 7.348 8.403 -1.055 1
1 547 . 4 1 1 A 46 46 LYS HA H 46 4.222 4.562 -0.340 1
1 554 . 4 1 1 A 46 46 LYS C C 46 175.715 175.745 -0.030 1
1 555 . 4 1 1 A 46 46 LYS CA C 46 53.576 54.492 -0.916 1
1 556 . 4 1 1 A 46 46 LYS CB C 46 33.582 34.666 -1.084 1
1 560 . 4 1 1 A 46 46 LYS N N 46 129.620 126.387 3.233 1
1 561 . 4 1 1 A 47 47 ASP H H 47 8.578 8.512 0.066 1
1 562 . 4 1 1 A 47 47 ASP HA H 47 4.126 4.553 -0.427 1
1 565 . 4 1 1 A 47 47 ASP C C 47 179.207 175.442 3.765 1
1 566 . 4 1 1 A 47 47 ASP CA C 47 57.191 53.144 4.047 1
1 567 . 4 1 1 A 47 47 ASP CB C 47 41.969 40.144 1.825 1
1 568 . 4 1 1 A 47 47 ASP N N 47 125.757 123.627 2.130 1
1 569 . 4 1 1 A 48 48 GLU H H 48 9.445 7.934 1.511 1
1 570 . 4 1 1 A 48 48 GLU HA H 48 3.918 4.263 -0.345 1
1 575 . 4 1 1 A 48 48 GLU C C 48 177.578 176.779 0.799 1
1 576 . 4 1 1 A 48 48 GLU CA C 48 60.066 57.277 2.789 1
1 577 . 4 1 1 A 48 48 GLU CB C 48 29.343 31.357 -2.014 1
1 579 . 4 1 1 A 48 48 GLU N N 48 117.612 118.609 -0.997 1
1 580 . 4 1 1 A 49 49 THR H H 49 6.624 7.773 -1.149 1
1 581 . 4 1 1 A 49 49 THR HA H 49 4.414 4.516 -0.102 1
1 586 . 4 1 1 A 49 49 THR C C 49 175.232 173.852 1.380 1
1 587 . 4 1 1 A 49 49 THR CA C 49 59.873 61.210 -1.337 1
1 588 . 4 1 1 A 49 49 THR CB C 49 69.188 69.666 -0.478 1
1 590 . 4 1 1 A 49 49 THR N N 49 103.078 112.771 -9.693 1
1 591 . 4 1 1 A 50 50 LYS H H 50 7.828 7.942 -0.114 1
1 592 . 4 1 1 A 50 50 LYS HA H 50 4.139 4.114 0.025 1
1 597 . 4 1 1 A 50 50 LYS C C 50 174.786 175.043 -0.257 1
1 598 . 4 1 1 A 50 50 LYS CA C 50 55.981 56.905 -0.924 1
1 599 . 4 1 1 A 50 50 LYS CB C 50 29.258 30.021 -0.763 1
1 602 . 4 1 1 A 50 50 LYS N N 50 123.628 116.703 6.925 1
1 603 . 4 1 1 A 51 51 THR H H 51 7.216 7.446 -0.230 1
1 604 . 4 1 1 A 51 51 THR HA H 51 5.433 5.357 0.076 1
1 609 . 4 1 1 A 51 51 THR C C 51 174.574 173.406 1.168 1
1 610 . 4 1 1 A 51 51 THR CA C 51 62.224 61.626 0.598 1
1 611 . 4 1 1 A 51 51 THR CB C 51 72.346 71.926 0.420 1
1 613 . 4 1 1 A 51 51 THR N N 51 110.763 113.255 -2.492 1
1 614 . 4 1 1 A 52 52 PHE H H 52 10.222 9.761 0.461 1
1 615 . 4 1 1 A 52 52 PHE HA H 52 5.447 5.420 0.027 1
1 622 . 4 1 1 A 52 52 PHE C C 52 174.401 175.394 -0.993 1
1 623 . 4 1 1 A 52 52 PHE CA C 52 57.269 57.631 -0.362 1
1 624 . 4 1 1 A 52 52 PHE CB C 52 42.143 41.474 0.669 1
1 629 . 4 1 1 A 52 52 PHE N N 52 130.993 125.819 5.174 1
1 630 . 4 1 1 A 53 53 THR H H 53 9.099 9.013 0.086 1
1 631 . 4 1 1 A 53 53 THR HA H 53 5.108 4.990 0.118 1
1 636 . 4 1 1 A 53 53 THR C C 53 172.565 172.635 -0.070 1
1 637 . 4 1 1 A 53 53 THR CA C 53 61.737 61.754 -0.017 1
1 638 . 4 1 1 A 53 53 THR CB C 53 70.663 70.937 -0.274 1
1 640 . 4 1 1 A 53 53 THR N N 53 117.968 115.717 2.251 1
1 641 . 4 1 1 A 54 54 VAL H H 54 8.496 8.497 -0.001 1
1 642 . 4 1 1 A 54 54 VAL HA H 54 4.410 5.395 -0.985 1
1 650 . 4 1 1 A 54 54 VAL C C 54 173.790 173.579 0.211 1
1 651 . 4 1 1 A 54 54 VAL CA C 54 59.103 59.169 -0.066 1
1 652 . 4 1 1 A 54 54 VAL CB C 54 32.651 33.784 -1.133 1
1 655 . 4 1 1 A 54 54 VAL N N 54 125.071 126.782 -1.711 1
1 656 . 4 1 1 A 55 55 THR H H 55 8.265 8.878 -0.613 1
1 657 . 4 1 1 A 55 55 THR HA H 55 4.792 4.762 0.030 1
1 662 . 4 1 1 A 55 55 THR C C 55 173.789 171.914 1.875 1
1 663 . 4 1 1 A 55 55 THR CA C 55 61.035 59.735 1.300 1
1 664 . 4 1 1 A 55 55 THR CB C 55 71.261 71.135 0.126 1
1 666 . 4 1 1 A 55 55 THR N N 55 122.202 121.426 0.776 1
1 10 . 5 1 1 A 2 2 THR H H 2 8.719 8.401 0.318 1
1 11 . 5 1 1 A 2 2 THR HA H 2 4.251 5.024 -0.773 1
1 16 . 5 1 1 A 2 2 THR C C 2 172.951 173.559 -0.608 1
1 17 . 5 1 1 A 2 2 THR CA C 2 63.748 61.415 2.333 1
1 18 . 5 1 1 A 2 2 THR CB C 2 68.568 70.061 -1.493 1
1 20 . 5 1 1 A 2 2 THR N N 2 123.894 117.187 6.707 1
1 21 . 5 1 1 A 3 3 TYR H H 3 8.841 9.454 -0.613 1
1 22 . 5 1 1 A 3 3 TYR HA H 3 5.289 5.259 0.030 1
1 29 . 5 1 1 A 3 3 TYR C C 3 173.975 174.929 -0.954 1
1 30 . 5 1 1 A 3 3 TYR CA C 3 57.850 56.908 0.942 1
1 31 . 5 1 1 A 3 3 TYR CB C 3 43.043 40.390 2.653 1
1 36 . 5 1 1 A 3 3 TYR N N 3 127.370 126.579 0.791 1
1 37 . 5 1 1 A 4 4 LYS H H 4 8.791 9.130 -0.339 1
1 38 . 5 1 1 A 4 4 LYS HA H 4 5.344 5.430 -0.086 1
1 43 . 5 1 1 A 4 4 LYS C C 4 173.055 174.561 -1.506 1
1 44 . 5 1 1 A 4 4 LYS CA C 4 54.537 55.145 -0.608 1
1 45 . 5 1 1 A 4 4 LYS CB C 4 35.881 35.635 0.246 1
1 48 . 5 1 1 A 4 4 LYS N N 4 121.038 124.688 -3.650 1
1 49 . 5 1 1 A 5 5 LEU H H 5 9.005 8.935 0.070 1
1 50 . 5 1 1 A 5 5 LEU HA H 5 4.889 4.896 -0.007 1
1 60 . 5 1 1 A 5 5 LEU C C 5 174.789 173.882 0.907 1
1 61 . 5 1 1 A 5 5 LEU CA C 5 52.566 53.524 -0.958 1
1 62 . 5 1 1 A 5 5 LEU CB C 5 44.174 45.398 -1.224 1
1 65 . 5 1 1 A 5 5 LEU N N 5 126.547 125.890 0.657 1
1 66 . 5 1 1 A 6 6 ILE H H 6 9.104 8.607 0.497 1
1 67 . 5 1 1 A 6 6 ILE HA H 6 4.970 4.990 -0.020 1
1 71 . 5 1 1 A 6 6 ILE C C 6 174.690 174.016 0.674 1
1 72 . 5 1 1 A 6 6 ILE CA C 6 60.313 59.473 0.840 1
1 73 . 5 1 1 A 6 6 ILE CB C 6 38.652 41.417 -2.765 1
1 76 . 5 1 1 A 6 6 ILE N N 6 126.502 125.046 1.456 1
1 77 . 5 1 1 A 7 7 LEU H H 7 8.907 9.266 -0.359 1
1 78 . 5 1 1 A 7 7 LEU HA H 7 4.452 5.740 -1.288 1
1 88 . 5 1 1 A 7 7 LEU C C 7 174.573 175.573 -1.000 1
1 89 . 5 1 1 A 7 7 LEU CA C 7 54.010 53.011 0.999 1
1 90 . 5 1 1 A 7 7 LEU CB C 7 41.072 44.714 -3.642 1
1 93 . 5 1 1 A 7 7 LEU N N 7 126.037 130.026 -3.989 1
1 94 . 5 1 1 A 8 8 ASN H H 8 8.941 8.614 0.327 1
1 95 . 5 1 1 A 8 8 ASN HA H 8 4.943 5.153 -0.210 1
1 100 . 5 1 1 A 8 8 ASN C C 8 174.323 174.538 -0.215 1
1 101 . 5 1 1 A 8 8 ASN CA C 8 51.785 52.256 -0.471 1
1 102 . 5 1 1 A 8 8 ASN CB C 8 38.008 38.721 -0.713 1
1 103 . 5 1 1 A 8 8 ASN N N 8 125.436 123.471 1.965 1
1 105 . 5 1 1 A 9 9 LEU H H 9 7.636 8.299 -0.663 1
1 106 . 5 1 1 A 9 9 LEU HA H 9 4.548 4.572 -0.024 1
1 113 . 5 1 1 A 9 9 LEU C C 9 177.230 178.766 -1.536 1
1 114 . 5 1 1 A 9 9 LEU CA C 9 53.502 53.794 -0.292 1
1 115 . 5 1 1 A 9 9 LEU CB C 9 41.569 42.118 -0.549 1
1 118 . 5 1 1 A 9 9 LEU N N 9 121.638 125.422 -3.784 1
1 119 . 5 1 1 A 10 10 LYS H H 10 9.138 8.753 0.385 1
1 120 . 5 1 1 A 10 10 LYS HA H 10 3.964 3.970 -0.006 1
1 127 . 5 1 1 A 10 10 LYS C C 10 179.119 178.909 0.210 1
1 128 . 5 1 1 A 10 10 LYS CA C 10 59.786 59.470 0.316 1
1 129 . 5 1 1 A 10 10 LYS CB C 10 31.825 32.150 -0.325 1
1 133 . 5 1 1 A 10 10 LYS N N 10 120.948 122.329 -1.381 1
1 134 . 5 1 1 A 11 11 GLN H H 11 8.432 7.689 0.743 1
1 135 . 5 1 1 A 11 11 GLN HA H 11 4.325 4.171 0.154 1
1 140 . 5 1 1 A 11 11 GLN C C 11 175.294 175.462 -0.168 1
1 141 . 5 1 1 A 11 11 GLN CA C 11 55.903 58.197 -2.294 1
1 142 . 5 1 1 A 11 11 GLN CB C 11 29.207 29.877 -0.670 1
1 144 . 5 1 1 A 11 11 GLN N N 11 113.252 118.422 -5.170 1
1 145 . 5 1 1 A 12 12 ALA H H 12 7.079 7.565 -0.486 1
1 146 . 5 1 1 A 12 12 ALA HA H 12 4.318 4.459 -0.141 1
1 150 . 5 1 1 A 12 12 ALA C C 12 174.190 175.119 -0.929 1
1 151 . 5 1 1 A 12 12 ALA CA C 12 52.507 51.394 1.113 1
1 152 . 5 1 1 A 12 12 ALA CB C 12 21.479 22.161 -0.682 1
1 153 . 5 1 1 A 12 12 ALA N N 12 120.435 117.811 2.624 1
1 154 . 5 1 1 A 13 13 LYS H H 13 8.156 8.384 -0.228 1
1 155 . 5 1 1 A 13 13 LYS HA H 13 5.197 4.785 0.412 1
1 162 . 5 1 1 A 13 13 LYS C C 13 176.127 175.923 0.204 1
1 163 . 5 1 1 A 13 13 LYS CA C 13 55.036 55.712 -0.676 1
1 164 . 5 1 1 A 13 13 LYS CB C 13 33.890 33.577 0.313 1
1 168 . 5 1 1 A 13 13 LYS N N 13 120.644 118.941 1.703 1
1 169 . 5 1 1 A 14 14 GLU H H 14 8.545 9.364 -0.819 1
1 170 . 5 1 1 A 14 14 GLU HA H 14 4.629 5.063 -0.434 1
1 175 . 5 1 1 A 14 14 GLU C C 14 173.875 175.490 -1.615 1
1 176 . 5 1 1 A 14 14 GLU CA C 14 54.680 54.845 -0.165 1
1 177 . 5 1 1 A 14 14 GLU CB C 14 34.319 33.062 1.257 1
1 179 . 5 1 1 A 14 14 GLU N N 14 123.133 124.056 -0.923 1
1 180 . 5 1 1 A 15 15 GLU H H 15 8.532 8.929 -0.397 1
1 181 . 5 1 1 A 15 15 GLU HA H 15 5.465 5.144 0.321 1
1 186 . 5 1 1 A 15 15 GLU C C 15 175.284 175.182 0.102 1
1 188 . 5 1 1 A 15 15 GLU N N 15 120.437 123.559 -3.122 1
1 189 . 5 1 1 A 16 16 ALA H H 16 9.161 8.760 0.401 1
1 190 . 5 1 1 A 16 16 ALA HA H 16 4.731 4.900 -0.169 1
1 194 . 5 1 1 A 16 16 ALA C C 16 174.936 175.411 -0.475 1
1 195 . 5 1 1 A 16 16 ALA CA C 16 51.278 51.365 -0.087 1
1 196 . 5 1 1 A 16 16 ALA CB C 16 22.037 23.841 -1.804 1
1 197 . 5 1 1 A 16 16 ALA N N 16 126.588 122.219 4.369 1
1 198 . 5 1 1 A 17 17 ILE H H 17 8.387 8.819 -0.432 1
1 199 . 5 1 1 A 17 17 ILE HA H 17 5.325 5.077 0.248 1
1 206 . 5 1 1 A 17 17 ILE C C 17 176.066 173.865 2.201 1
1 210 . 5 1 1 A 17 17 ILE N N 17 117.620 119.810 -2.190 1
1 211 . 5 1 1 A 18 18 LYS H H 18 9.152 9.522 -0.370 1
1 212 . 5 1 1 A 18 18 LYS HA H 18 4.385 4.919 -0.534 1
1 221 . 5 1 1 A 18 18 LYS C C 18 173.587 175.108 -1.521 1
1 222 . 5 1 1 A 18 18 LYS CA C 18 55.084 54.570 0.514 1
1 223 . 5 1 1 A 18 18 LYS CB C 18 36.862 35.572 1.290 1
1 227 . 5 1 1 A 18 18 LYS N N 18 125.563 128.263 -2.700 1
1 228 . 5 1 1 A 19 19 GLU H H 19 8.337 8.633 -0.296 1
1 229 . 5 1 1 A 19 19 GLU HA H 19 4.907 4.998 -0.091 1
1 234 . 5 1 1 A 19 19 GLU C C 19 175.687 175.650 0.037 1
1 235 . 5 1 1 A 19 19 GLU CA C 19 55.679 55.775 -0.096 1
1 236 . 5 1 1 A 19 19 GLU CB C 19 29.158 30.422 -1.264 1
1 238 . 5 1 1 A 19 19 GLU N N 19 127.836 122.480 5.356 1
1 239 . 5 1 1 A 20 20 LEU H H 20 8.710 8.263 0.447 1
1 240 . 5 1 1 A 20 20 LEU HA H 20 4.798 4.813 -0.015 1
1 247 . 5 1 1 A 20 20 LEU C C 20 177.829 177.032 0.797 1
1 248 . 5 1 1 A 20 20 LEU CA C 20 53.519 53.156 0.363 1
1 249 . 5 1 1 A 20 20 LEU CB C 20 47.902 45.282 2.620 1
1 252 . 5 1 1 A 20 20 LEU N N 20 127.240 124.908 2.332 1
1 253 . 5 1 1 A 21 21 VAL H H 21 8.236 8.796 -0.560 1
1 254 . 5 1 1 A 21 21 VAL HA H 21 3.947 4.246 -0.299 1
1 259 . 5 1 1 A 21 21 VAL C C 21 175.301 175.535 -0.234 1
1 260 . 5 1 1 A 21 21 VAL CA C 21 64.879 63.073 1.806 1
1 261 . 5 1 1 A 21 21 VAL CB C 21 32.290 32.470 -0.180 1
1 263 . 5 1 1 A 21 21 VAL N N 21 116.513 118.692 -2.179 1
1 264 . 5 1 1 A 22 22 ASP H H 22 7.071 7.858 -0.787 1
1 265 . 5 1 1 A 22 22 ASP HA H 22 4.028 5.092 -1.064 1
1 268 . 5 1 1 A 22 22 ASP C C 22 172.221 175.808 -3.587 1
1 269 . 5 1 1 A 22 22 ASP CA C 22 52.983 52.626 0.357 1
1 270 . 5 1 1 A 22 22 ASP CB C 22 42.107 44.796 -2.689 1
1 271 . 5 1 1 A 22 22 ASP N N 22 115.040 119.730 -4.690 1
1 272 . 5 1 1 A 23 23 ALA H H 23 8.332 8.877 -0.545 1
1 273 . 5 1 1 A 23 23 ALA HA H 23 4.136 3.975 0.161 1
1 277 . 5 1 1 A 23 23 ALA C C 23 179.560 179.526 0.034 1
1 278 . 5 1 1 A 23 23 ALA CA C 23 55.215 55.046 0.169 1
1 279 . 5 1 1 A 23 23 ALA CB C 23 17.337 18.665 -1.328 1
1 280 . 5 1 1 A 23 23 ALA N N 23 121.322 122.986 -1.664 1
1 281 . 5 1 1 A 24 24 ALA H H 24 8.168 8.153 0.015 1
1 282 . 5 1 1 A 24 24 ALA HA H 24 4.000 4.014 -0.014 1
1 286 . 5 1 1 A 24 24 ALA C C 24 181.170 179.476 1.694 1
1 287 . 5 1 1 A 24 24 ALA CA C 24 54.771 55.071 -0.300 1
1 288 . 5 1 1 A 24 24 ALA CB C 24 17.274 18.854 -1.580 1
1 289 . 5 1 1 A 24 24 ALA N N 24 122.440 120.265 2.175 1
1 290 . 5 1 1 A 25 25 THR H H 25 8.444 8.039 0.405 1
1 291 . 5 1 1 A 25 25 THR HA H 25 3.924 3.899 0.025 1
1 296 . 5 1 1 A 25 25 THR C C 25 176.695 176.298 0.397 1
1 297 . 5 1 1 A 25 25 THR CA C 25 66.636 66.212 0.424 1
1 298 . 5 1 1 A 25 25 THR CB C 25 68.177 68.595 -0.418 1
1 300 . 5 1 1 A 25 25 THR N N 25 117.219 113.494 3.725 1
1 301 . 5 1 1 A 26 26 ALA H H 26 7.755 7.802 -0.047 1
1 302 . 5 1 1 A 26 26 ALA HA H 26 3.427 3.666 -0.239 1
1 306 . 5 1 1 A 26 26 ALA C C 26 176.844 180.308 -3.464 1
1 307 . 5 1 1 A 26 26 ALA CA C 26 55.025 55.395 -0.370 1
1 308 . 5 1 1 A 26 26 ALA CB C 26 17.772 17.552 0.220 1
1 309 . 5 1 1 A 26 26 ALA N N 26 125.147 123.045 2.102 1
1 310 . 5 1 1 A 27 27 GLU H H 27 8.412 8.846 -0.434 1
1 311 . 5 1 1 A 27 27 GLU HA H 27 2.758 3.764 -1.006 1
1 316 . 5 1 1 A 27 27 GLU C C 27 177.417 178.831 -1.414 1
1 317 . 5 1 1 A 27 27 GLU CA C 27 59.932 59.349 0.583 1
1 318 . 5 1 1 A 27 27 GLU CB C 27 28.943 29.183 -0.240 1
1 320 . 5 1 1 A 27 27 GLU N N 27 119.203 118.023 1.180 1
1 321 . 5 1 1 A 28 28 LYS H H 28 7.013 7.707 -0.694 1
1 322 . 5 1 1 A 28 28 LYS HA H 28 3.626 4.026 -0.400 1
1 329 . 5 1 1 A 28 28 LYS C C 28 178.802 178.561 0.241 1
1 330 . 5 1 1 A 28 28 LYS CA C 28 59.572 58.798 0.774 1
1 331 . 5 1 1 A 28 28 LYS CB C 28 32.290 32.249 0.041 1
1 335 . 5 1 1 A 28 28 LYS N N 28 116.415 120.582 -4.167 1
1 336 . 5 1 1 A 29 29 TYR H H 29 7.815 8.583 -0.768 1
1 337 . 5 1 1 A 29 29 TYR HA H 29 3.841 4.251 -0.410 1
1 344 . 5 1 1 A 29 29 TYR C C 29 178.466 177.657 0.809 1
1 345 . 5 1 1 A 29 29 TYR CA C 29 61.703 61.558 0.145 1
1 346 . 5 1 1 A 29 29 TYR CB C 29 38.193 38.921 -0.728 1
1 351 . 5 1 1 A 29 29 TYR N N 29 119.360 120.821 -1.461 1
1 352 . 5 1 1 A 30 30 PHE H H 30 8.979 9.274 -0.295 1
1 353 . 5 1 1 A 30 30 PHE HA H 30 4.451 4.323 0.128 1
1 360 . 5 1 1 A 30 30 PHE C C 30 178.342 177.965 0.377 1
1 361 . 5 1 1 A 30 30 PHE CA C 30 59.395 62.142 -2.747 1
1 362 . 5 1 1 A 30 30 PHE CB C 30 37.451 38.602 -1.151 1
1 367 . 5 1 1 A 30 30 PHE N N 30 119.088 118.242 0.846 1
1 368 . 5 1 1 A 31 31 LYS H H 31 8.464 7.957 0.507 1
1 369 . 5 1 1 A 31 31 LYS HA H 31 3.983 4.340 -0.357 1
1 376 . 5 1 1 A 31 31 LYS C C 31 179.506 179.075 0.431 1
1 377 . 5 1 1 A 31 31 LYS CA C 31 60.031 59.475 0.556 1
1 378 . 5 1 1 A 31 31 LYS CB C 31 31.236 31.973 -0.737 1
1 381 . 5 1 1 A 31 31 LYS N N 31 122.220 121.377 0.843 1
1 382 . 5 1 1 A 32 32 LEU H H 32 7.314 7.898 -0.584 1
1 383 . 5 1 1 A 32 32 LEU HA H 32 3.990 4.042 -0.052 1
1 390 . 5 1 1 A 32 32 LEU C C 32 179.565 178.843 0.722 1
1 391 . 5 1 1 A 32 32 LEU CA C 32 58.069 57.490 0.579 1
1 392 . 5 1 1 A 32 32 LEU CB C 32 41.329 41.146 0.183 1
1 395 . 5 1 1 A 32 32 LEU N N 32 120.642 119.280 1.362 1
1 396 . 5 1 1 A 33 33 TYR H H 33 8.018 8.147 -0.129 1
1 397 . 5 1 1 A 33 33 TYR HA H 33 3.999 4.125 -0.126 1
1 405 . 5 1 1 A 33 33 TYR C C 33 177.598 177.701 -0.103 1
1 406 . 5 1 1 A 33 33 TYR CA C 33 61.107 61.576 -0.469 1
1 407 . 5 1 1 A 33 33 TYR CB C 33 39.081 39.273 -0.192 1
1 412 . 5 1 1 A 33 33 TYR N N 33 122.222 119.796 2.426 1
1 413 . 5 1 1 A 34 34 ALA H H 34 8.794 8.606 0.188 1
1 414 . 5 1 1 A 34 34 ALA HA H 34 3.783 4.164 -0.381 1
1 418 . 5 1 1 A 34 34 ALA C C 34 179.307 179.182 0.125 1
1 419 . 5 1 1 A 34 34 ALA CA C 34 54.459 55.127 -0.668 1
1 420 . 5 1 1 A 34 34 ALA CB C 34 18.376 18.200 0.176 1
1 421 . 5 1 1 A 34 34 ALA N N 34 119.675 121.639 -1.964 1
1 422 . 5 1 1 A 35 35 ASN H H 35 8.156 7.884 0.272 1
1 423 . 5 1 1 A 35 35 ASN HA H 35 4.489 4.665 -0.176 1
1 426 . 5 1 1 A 35 35 ASN C C 35 177.869 176.776 1.093 1
1 427 . 5 1 1 A 35 35 ASN CA C 35 56.410 55.380 1.030 1
1 428 . 5 1 1 A 35 35 ASN CB C 35 38.339 38.431 -0.092 1
1 429 . 5 1 1 A 35 35 ASN N N 35 117.882 116.252 1.630 1
1 430 . 5 1 1 A 36 36 ALA H H 36 7.804 7.322 0.482 1
1 431 . 5 1 1 A 36 36 ALA HA H 36 4.087 4.298 -0.211 1
1 435 . 5 1 1 A 36 36 ALA C C 36 178.579 179.373 -0.794 1
1 436 . 5 1 1 A 36 36 ALA CA C 36 53.893 54.384 -0.491 1
1 437 . 5 1 1 A 36 36 ALA CB C 36 17.782 19.535 -1.753 1
1 438 . 5 1 1 A 36 36 ALA N N 36 121.244 122.759 -1.515 1
1 439 . 5 1 1 A 37 37 LYS H H 37 7.380 8.237 -0.857 1
1 440 . 5 1 1 A 37 37 LYS HA H 37 4.164 3.788 0.376 1
1 447 . 5 1 1 A 37 37 LYS C C 37 175.831 176.671 -0.840 1
1 448 . 5 1 1 A 37 37 LYS CA C 37 56.020 59.185 -3.165 1
1 449 . 5 1 1 A 37 37 LYS CB C 37 32.876 31.873 1.003 1
1 453 . 5 1 1 A 37 37 LYS N N 37 116.585 117.160 -0.575 1
1 454 . 5 1 1 A 38 38 THR H H 38 7.891 7.571 0.320 1
1 455 . 5 1 1 A 38 38 THR HA H 38 4.144 4.683 -0.539 1
1 460 . 5 1 1 A 38 38 THR C C 38 172.820 174.062 -1.242 1
1 461 . 5 1 1 A 38 38 THR CA C 38 61.719 60.435 1.284 1
1 462 . 5 1 1 A 38 38 THR CB C 38 68.688 70.540 -1.852 1
1 464 . 5 1 1 A 38 38 THR N N 38 113.375 109.534 3.841 1
1 465 . 5 1 1 A 39 39 VAL H H 39 7.939 8.571 -0.632 1
1 466 . 5 1 1 A 39 39 VAL HA H 39 4.148 4.645 -0.497 1
1 471 . 5 1 1 A 39 39 VAL C C 39 174.525 174.429 0.096 1
1 472 . 5 1 1 A 39 39 VAL CA C 39 62.125 60.789 1.336 1
1 473 . 5 1 1 A 39 39 VAL CB C 39 32.720 33.719 -0.999 1
1 475 . 5 1 1 A 39 39 VAL N N 39 120.564 119.891 0.673 1
1 476 . 5 1 1 A 40 40 GLU H H 40 8.586 8.663 -0.077 1
1 477 . 5 1 1 A 40 40 GLU HA H 40 4.533 4.930 -0.397 1
1 482 . 5 1 1 A 40 40 GLU C C 40 175.158 175.849 -0.691 1
1 483 . 5 1 1 A 40 40 GLU CA C 40 55.211 55.223 -0.012 1
1 484 . 5 1 1 A 40 40 GLU CB C 40 31.130 31.086 0.044 1
1 486 . 5 1 1 A 40 40 GLU N N 40 126.113 124.525 1.588 1
1 487 . 5 1 1 A 41 41 GLY H H 41 8.042 8.632 -0.590 1
1 488 . 5 1 1 A 41 41 GLY HA2 H 41 4.059 4.180 -0.121 1
1 489 . 5 1 1 A 41 41 GLY HA3 H 41 3.533 4.232 -0.699 1
1 490 . 5 1 1 A 41 41 GLY C C 41 174.994 172.978 2.016 1
1 491 . 5 1 1 A 41 41 GLY CA C 41 45.300 44.916 0.384 1
1 492 . 5 1 1 A 41 41 GLY N N 41 107.727 113.348 -5.621 1
1 493 . 5 1 1 A 42 42 VAL H H 42 8.349 8.237 0.112 1
1 494 . 5 1 1 A 42 42 VAL HA H 42 4.303 4.244 0.059 1
1 499 . 5 1 1 A 42 42 VAL C C 42 176.649 175.837 0.812 1
1 500 . 5 1 1 A 42 42 VAL CA C 42 62.243 61.905 0.338 1
1 501 . 5 1 1 A 42 42 VAL CB C 42 33.763 32.631 1.132 1
1 503 . 5 1 1 A 42 42 VAL N N 42 121.379 118.525 2.854 1
1 504 . 5 1 1 A 43 43 TRP H H 43 9.250 9.074 0.176 1
1 505 . 5 1 1 A 43 43 TRP HA H 43 5.104 5.638 -0.534 1
1 514 . 5 1 1 A 43 43 TRP C C 43 177.089 175.206 1.883 1
1 515 . 5 1 1 A 43 43 TRP CA C 43 57.991 55.515 2.476 1
1 516 . 5 1 1 A 43 43 TRP CB C 43 29.904 33.560 -3.656 1
1 521 . 5 1 1 A 43 43 TRP N N 43 130.568 123.206 7.362 1
1 523 . 5 1 1 A 44 44 THR H H 44 9.219 8.939 0.280 1
1 524 . 5 1 1 A 44 44 THR HA H 44 4.694 5.276 -0.582 1
1 529 . 5 1 1 A 44 44 THR C C 44 172.706 173.133 -0.427 1
1 530 . 5 1 1 A 44 44 THR CA C 44 60.957 60.397 0.560 1
1 531 . 5 1 1 A 44 44 THR CB C 44 72.616 72.138 0.478 1
1 533 . 5 1 1 A 44 44 THR N N 44 114.918 115.023 -0.105 1
1 534 . 5 1 1 A 45 45 TYR H H 45 8.553 8.828 -0.275 1
1 535 . 5 1 1 A 45 45 TYR HA H 45 5.002 5.248 -0.246 1
1 540 . 5 1 1 A 45 45 TYR C C 45 173.745 173.775 -0.030 1
1 541 . 5 1 1 A 45 45 TYR CA C 45 57.249 56.456 0.793 1
1 542 . 5 1 1 A 45 45 TYR CB C 45 41.719 42.368 -0.649 1
1 545 . 5 1 1 A 45 45 TYR N N 45 121.490 125.577 -4.087 1
1 546 . 5 1 1 A 46 46 LYS H H 46 7.348 7.991 -0.643 1
1 547 . 5 1 1 A 46 46 LYS HA H 46 4.222 4.725 -0.503 1
1 554 . 5 1 1 A 46 46 LYS C C 46 175.715 175.421 0.294 1
1 555 . 5 1 1 A 46 46 LYS CA C 46 53.576 54.441 -0.865 1
1 556 . 5 1 1 A 46 46 LYS CB C 46 33.582 35.142 -1.560 1
1 560 . 5 1 1 A 46 46 LYS N N 46 129.620 126.096 3.524 1
1 561 . 5 1 1 A 47 47 ASP H H 47 8.578 8.779 -0.201 1
1 562 . 5 1 1 A 47 47 ASP HA H 47 4.126 4.727 -0.601 1
1 565 . 5 1 1 A 47 47 ASP C C 47 179.207 176.213 2.994 1
1 566 . 5 1 1 A 47 47 ASP CA C 47 57.191 53.921 3.270 1
1 567 . 5 1 1 A 47 47 ASP CB C 47 41.969 41.074 0.895 1
1 568 . 5 1 1 A 47 47 ASP N N 47 125.757 125.753 0.004 1
1 569 . 5 1 1 A 48 48 GLU H H 48 9.445 7.995 1.450 1
1 570 . 5 1 1 A 48 48 GLU HA H 48 3.918 4.224 -0.306 1
1 575 . 5 1 1 A 48 48 GLU C C 48 177.578 177.338 0.240 1
1 576 . 5 1 1 A 48 48 GLU CA C 48 60.066 57.954 2.112 1
1 577 . 5 1 1 A 48 48 GLU CB C 48 29.343 30.453 -1.110 1
1 579 . 5 1 1 A 48 48 GLU N N 48 117.612 119.246 -1.634 1
1 580 . 5 1 1 A 49 49 THR H H 49 6.624 7.600 -0.976 1
1 581 . 5 1 1 A 49 49 THR HA H 49 4.414 4.492 -0.078 1
1 586 . 5 1 1 A 49 49 THR C C 49 175.232 173.887 1.345 1
1 587 . 5 1 1 A 49 49 THR CA C 49 59.873 60.540 -0.667 1
1 588 . 5 1 1 A 49 49 THR CB C 49 69.188 69.331 -0.143 1
1 590 . 5 1 1 A 49 49 THR N N 49 103.078 107.275 -4.197 1
1 591 . 5 1 1 A 50 50 LYS H H 50 7.828 7.891 -0.063 1
1 592 . 5 1 1 A 50 50 LYS HA H 50 4.139 4.068 0.071 1
1 597 . 5 1 1 A 50 50 LYS C C 50 174.786 174.980 -0.194 1
1 598 . 5 1 1 A 50 50 LYS CA C 50 55.981 56.813 -0.832 1
1 599 . 5 1 1 A 50 50 LYS CB C 50 29.258 30.607 -1.349 1
1 602 . 5 1 1 A 50 50 LYS N N 50 123.628 115.700 7.928 1
1 603 . 5 1 1 A 51 51 THR H H 51 7.216 7.295 -0.079 1
1 604 . 5 1 1 A 51 51 THR HA H 51 5.433 5.282 0.151 1
1 609 . 5 1 1 A 51 51 THR C C 51 174.574 173.242 1.332 1
1 610 . 5 1 1 A 51 51 THR CA C 51 62.224 61.359 0.865 1
1 611 . 5 1 1 A 51 51 THR CB C 51 72.346 71.836 0.510 1
1 613 . 5 1 1 A 51 51 THR N N 51 110.763 113.606 -2.843 1
1 614 . 5 1 1 A 52 52 PHE H H 52 10.222 9.229 0.993 1
1 615 . 5 1 1 A 52 52 PHE HA H 52 5.447 5.341 0.106 1
1 622 . 5 1 1 A 52 52 PHE C C 52 174.401 175.337 -0.936 1
1 623 . 5 1 1 A 52 52 PHE CA C 52 57.269 57.510 -0.241 1
1 624 . 5 1 1 A 52 52 PHE CB C 52 42.143 41.462 0.681 1
1 629 . 5 1 1 A 52 52 PHE N N 52 130.993 125.406 5.587 1
1 630 . 5 1 1 A 53 53 THR H H 53 9.099 9.052 0.047 1
1 631 . 5 1 1 A 53 53 THR HA H 53 5.108 4.974 0.134 1
1 636 . 5 1 1 A 53 53 THR C C 53 172.565 172.687 -0.122 1
1 637 . 5 1 1 A 53 53 THR CA C 53 61.737 61.532 0.205 1
1 638 . 5 1 1 A 53 53 THR CB C 53 70.663 71.226 -0.563 1
1 640 . 5 1 1 A 53 53 THR N N 53 117.968 115.094 2.874 1
1 641 . 5 1 1 A 54 54 VAL H H 54 8.496 8.774 -0.278 1
1 642 . 5 1 1 A 54 54 VAL HA H 54 4.410 5.078 -0.668 1
1 650 . 5 1 1 A 54 54 VAL C C 54 173.790 173.120 0.670 1
1 651 . 5 1 1 A 54 54 VAL CA C 54 59.103 59.867 -0.764 1
1 652 . 5 1 1 A 54 54 VAL CB C 54 32.651 35.000 -2.349 1
1 655 . 5 1 1 A 54 54 VAL N N 54 125.071 125.902 -0.831 1
1 656 . 5 1 1 A 55 55 THR H H 55 8.265 8.218 0.047 1
1 657 . 5 1 1 A 55 55 THR HA H 55 4.792 5.089 -0.297 1
1 662 . 5 1 1 A 55 55 THR C C 55 173.789 172.212 1.577 1
1 663 . 5 1 1 A 55 55 THR CA C 55 61.035 59.617 1.418 1
1 664 . 5 1 1 A 55 55 THR CB C 55 71.261 71.381 -0.120 1
1 666 . 5 1 1 A 55 55 THR N N 55 122.202 120.770 1.432 1
1 10 . 6 1 1 A 2 2 THR H H 2 8.719 8.824 -0.105 1
1 11 . 6 1 1 A 2 2 THR HA H 2 4.251 4.442 -0.191 1
1 16 . 6 1 1 A 2 2 THR C C 2 172.951 172.922 0.029 1
1 17 . 6 1 1 A 2 2 THR CA C 2 63.748 62.465 1.283 1
1 18 . 6 1 1 A 2 2 THR CB C 2 68.568 69.339 -0.771 1
1 20 . 6 1 1 A 2 2 THR N N 2 123.894 122.681 1.213 1
1 21 . 6 1 1 A 3 3 TYR H H 3 8.841 9.353 -0.512 1
1 22 . 6 1 1 A 3 3 TYR HA H 3 5.289 5.153 0.136 1
1 29 . 6 1 1 A 3 3 TYR C C 3 173.975 175.489 -1.514 1
1 30 . 6 1 1 A 3 3 TYR CA C 3 57.850 57.003 0.847 1
1 31 . 6 1 1 A 3 3 TYR CB C 3 43.043 40.962 2.081 1
1 36 . 6 1 1 A 3 3 TYR N N 3 127.370 128.190 -0.820 1
1 37 . 6 1 1 A 4 4 LYS H H 4 8.791 8.678 0.113 1
1 38 . 6 1 1 A 4 4 LYS HA H 4 5.344 5.443 -0.099 1
1 43 . 6 1 1 A 4 4 LYS C C 4 173.055 175.270 -2.215 1
1 44 . 6 1 1 A 4 4 LYS CA C 4 54.537 55.241 -0.704 1
1 45 . 6 1 1 A 4 4 LYS CB C 4 35.881 35.478 0.403 1
1 48 . 6 1 1 A 4 4 LYS N N 4 121.038 122.781 -1.743 1
1 49 . 6 1 1 A 5 5 LEU H H 5 9.005 8.913 0.092 1
1 50 . 6 1 1 A 5 5 LEU HA H 5 4.889 5.224 -0.335 1
1 60 . 6 1 1 A 5 5 LEU C C 5 174.789 173.766 1.023 1
1 61 . 6 1 1 A 5 5 LEU CA C 5 52.566 53.192 -0.626 1
1 62 . 6 1 1 A 5 5 LEU CB C 5 44.174 44.998 -0.824 1
1 65 . 6 1 1 A 5 5 LEU N N 5 126.547 125.309 1.238 1
1 66 . 6 1 1 A 6 6 ILE H H 6 9.104 8.858 0.246 1
1 67 . 6 1 1 A 6 6 ILE HA H 6 4.970 5.060 -0.090 1
1 71 . 6 1 1 A 6 6 ILE C C 6 174.690 173.757 0.933 1
1 72 . 6 1 1 A 6 6 ILE CA C 6 60.313 59.227 1.086 1
1 73 . 6 1 1 A 6 6 ILE CB C 6 38.652 41.929 -3.277 1
1 76 . 6 1 1 A 6 6 ILE N N 6 126.502 125.420 1.082 1
1 77 . 6 1 1 A 7 7 LEU H H 7 8.907 8.960 -0.053 1
1 78 . 6 1 1 A 7 7 LEU HA H 7 4.452 5.700 -1.248 1
1 88 . 6 1 1 A 7 7 LEU C C 7 174.573 175.976 -1.403 1
1 89 . 6 1 1 A 7 7 LEU CA C 7 54.010 53.120 0.890 1
1 90 . 6 1 1 A 7 7 LEU CB C 7 41.072 45.425 -4.353 1
1 93 . 6 1 1 A 7 7 LEU N N 7 126.037 129.368 -3.331 1
1 94 . 6 1 1 A 8 8 ASN H H 8 8.941 8.796 0.145 1
1 95 . 6 1 1 A 8 8 ASN HA H 8 4.943 5.447 -0.504 1
1 100 . 6 1 1 A 8 8 ASN C C 8 174.323 174.460 -0.137 1
1 101 . 6 1 1 A 8 8 ASN CA C 8 51.785 51.935 -0.150 1
1 102 . 6 1 1 A 8 8 ASN CB C 8 38.008 40.944 -2.936 1
1 103 . 6 1 1 A 8 8 ASN N N 8 125.436 121.322 4.114 1
1 105 . 6 1 1 A 9 9 LEU H H 9 7.636 8.475 -0.839 1
1 106 . 6 1 1 A 9 9 LEU HA H 9 4.548 4.764 -0.216 1
1 113 . 6 1 1 A 9 9 LEU C C 9 177.230 178.047 -0.817 1
1 114 . 6 1 1 A 9 9 LEU CA C 9 53.502 53.286 0.216 1
1 115 . 6 1 1 A 9 9 LEU CB C 9 41.569 43.468 -1.899 1
1 118 . 6 1 1 A 9 9 LEU N N 9 121.638 125.077 -3.439 1
1 119 . 6 1 1 A 10 10 LYS H H 10 9.138 8.724 0.414 1
1 120 . 6 1 1 A 10 10 LYS HA H 10 3.964 4.296 -0.332 1
1 127 . 6 1 1 A 10 10 LYS C C 10 179.119 177.298 1.821 1
1 128 . 6 1 1 A 10 10 LYS CA C 10 59.786 57.753 2.033 1
1 129 . 6 1 1 A 10 10 LYS CB C 10 31.825 33.028 -1.203 1
1 133 . 6 1 1 A 10 10 LYS N N 10 120.948 122.548 -1.600 1
1 134 . 6 1 1 A 11 11 GLN H H 11 8.432 7.867 0.565 1
1 135 . 6 1 1 A 11 11 GLN HA H 11 4.325 4.550 -0.225 1
1 140 . 6 1 1 A 11 11 GLN C C 11 175.294 175.092 0.202 1
1 141 . 6 1 1 A 11 11 GLN CA C 11 55.903 55.125 0.778 1
1 142 . 6 1 1 A 11 11 GLN CB C 11 29.207 29.313 -0.106 1
1 144 . 6 1 1 A 11 11 GLN N N 11 113.252 114.264 -1.012 1
1 145 . 6 1 1 A 12 12 ALA H H 12 7.079 7.640 -0.561 1
1 146 . 6 1 1 A 12 12 ALA HA H 12 4.318 4.522 -0.204 1
1 150 . 6 1 1 A 12 12 ALA C C 12 174.190 175.556 -1.366 1
1 151 . 6 1 1 A 12 12 ALA CA C 12 52.507 52.168 0.339 1
1 152 . 6 1 1 A 12 12 ALA CB C 12 21.479 20.373 1.106 1
1 153 . 6 1 1 A 12 12 ALA N N 12 120.435 121.610 -1.175 1
1 154 . 6 1 1 A 13 13 LYS H H 13 8.156 8.982 -0.826 1
1 155 . 6 1 1 A 13 13 LYS HA H 13 5.197 4.902 0.295 1
1 162 . 6 1 1 A 13 13 LYS C C 13 176.127 175.396 0.731 1
1 163 . 6 1 1 A 13 13 LYS CA C 13 55.036 55.143 -0.107 1
1 164 . 6 1 1 A 13 13 LYS CB C 13 33.890 34.040 -0.150 1
1 168 . 6 1 1 A 13 13 LYS N N 13 120.644 125.406 -4.762 1
1 169 . 6 1 1 A 14 14 GLU H H 14 8.545 8.733 -0.188 1
1 170 . 6 1 1 A 14 14 GLU HA H 14 4.629 5.198 -0.569 1
1 175 . 6 1 1 A 14 14 GLU C C 14 173.875 175.068 -1.193 1
1 176 . 6 1 1 A 14 14 GLU CA C 14 54.680 54.866 -0.186 1
1 177 . 6 1 1 A 14 14 GLU CB C 14 34.319 33.357 0.962 1
1 179 . 6 1 1 A 14 14 GLU N N 14 123.133 125.492 -2.359 1
1 180 . 6 1 1 A 15 15 GLU H H 15 8.532 8.889 -0.357 1
1 181 . 6 1 1 A 15 15 GLU HA H 15 5.465 5.175 0.290 1
1 186 . 6 1 1 A 15 15 GLU C C 15 175.284 175.081 0.203 1
1 188 . 6 1 1 A 15 15 GLU N N 15 120.437 123.484 -3.047 1
1 189 . 6 1 1 A 16 16 ALA H H 16 9.161 8.525 0.636 1
1 190 . 6 1 1 A 16 16 ALA HA H 16 4.731 4.874 -0.143 1
1 194 . 6 1 1 A 16 16 ALA C C 16 174.936 175.216 -0.280 1
1 195 . 6 1 1 A 16 16 ALA CA C 16 51.278 51.256 0.022 1
1 196 . 6 1 1 A 16 16 ALA CB C 16 22.037 23.742 -1.705 1
1 197 . 6 1 1 A 16 16 ALA N N 16 126.588 122.599 3.989 1
1 198 . 6 1 1 A 17 17 ILE H H 17 8.387 8.484 -0.097 1
1 199 . 6 1 1 A 17 17 ILE HA H 17 5.325 5.022 0.303 1
1 206 . 6 1 1 A 17 17 ILE C C 17 176.066 174.732 1.334 1
1 210 . 6 1 1 A 17 17 ILE N N 17 117.620 118.465 -0.845 1
1 211 . 6 1 1 A 18 18 LYS H H 18 9.152 9.907 -0.755 1
1 212 . 6 1 1 A 18 18 LYS HA H 18 4.385 4.833 -0.448 1
1 221 . 6 1 1 A 18 18 LYS C C 18 173.587 175.310 -1.723 1
1 222 . 6 1 1 A 18 18 LYS CA C 18 55.084 54.011 1.073 1
1 223 . 6 1 1 A 18 18 LYS CB C 18 36.862 36.291 0.571 1
1 227 . 6 1 1 A 18 18 LYS N N 18 125.563 125.015 0.548 1
1 228 . 6 1 1 A 19 19 GLU H H 19 8.337 8.380 -0.043 1
1 229 . 6 1 1 A 19 19 GLU HA H 19 4.907 5.071 -0.164 1
1 234 . 6 1 1 A 19 19 GLU C C 19 175.687 175.230 0.457 1
1 235 . 6 1 1 A 19 19 GLU CA C 19 55.679 55.033 0.646 1
1 236 . 6 1 1 A 19 19 GLU CB C 19 29.158 31.470 -2.312 1
1 238 . 6 1 1 A 19 19 GLU N N 19 127.836 120.076 7.760 1
1 239 . 6 1 1 A 20 20 LEU H H 20 8.710 8.734 -0.024 1
1 240 . 6 1 1 A 20 20 LEU HA H 20 4.798 4.844 -0.046 1
1 247 . 6 1 1 A 20 20 LEU C C 20 177.829 176.402 1.427 1
1 248 . 6 1 1 A 20 20 LEU CA C 20 53.519 53.010 0.509 1
1 249 . 6 1 1 A 20 20 LEU CB C 20 47.902 45.003 2.899 1
1 252 . 6 1 1 A 20 20 LEU N N 20 127.240 125.736 1.504 1
1 253 . 6 1 1 A 21 21 VAL H H 21 8.236 8.523 -0.287 1
1 254 . 6 1 1 A 21 21 VAL HA H 21 3.947 4.342 -0.395 1
1 259 . 6 1 1 A 21 21 VAL C C 21 175.301 175.611 -0.310 1
1 260 . 6 1 1 A 21 21 VAL CA C 21 64.879 62.369 2.510 1
1 261 . 6 1 1 A 21 21 VAL CB C 21 32.290 33.275 -0.985 1
1 263 . 6 1 1 A 21 21 VAL N N 21 116.513 117.867 -1.354 1
1 264 . 6 1 1 A 22 22 ASP H H 22 7.071 8.037 -0.966 1
1 265 . 6 1 1 A 22 22 ASP HA H 22 4.028 5.145 -1.117 1
1 268 . 6 1 1 A 22 22 ASP C C 22 172.221 176.382 -4.161 1
1 269 . 6 1 1 A 22 22 ASP CA C 22 52.983 52.232 0.751 1
1 270 . 6 1 1 A 22 22 ASP CB C 22 42.107 43.185 -1.078 1
1 271 . 6 1 1 A 22 22 ASP N N 22 115.040 119.587 -4.547 1
1 272 . 6 1 1 A 23 23 ALA H H 23 8.332 8.836 -0.504 1
1 273 . 6 1 1 A 23 23 ALA HA H 23 4.136 3.759 0.377 1
1 277 . 6 1 1 A 23 23 ALA C C 23 179.560 179.534 0.026 1
1 278 . 6 1 1 A 23 23 ALA CA C 23 55.215 54.999 0.216 1
1 279 . 6 1 1 A 23 23 ALA CB C 23 17.337 18.270 -0.933 1
1 280 . 6 1 1 A 23 23 ALA N N 23 121.322 122.109 -0.787 1
1 281 . 6 1 1 A 24 24 ALA H H 24 8.168 8.118 0.050 1
1 282 . 6 1 1 A 24 24 ALA HA H 24 4.000 4.012 -0.012 1
1 286 . 6 1 1 A 24 24 ALA C C 24 181.170 179.592 1.578 1
1 287 . 6 1 1 A 24 24 ALA CA C 24 54.771 55.138 -0.367 1
1 288 . 6 1 1 A 24 24 ALA CB C 24 17.274 19.028 -1.754 1
1 289 . 6 1 1 A 24 24 ALA N N 24 122.440 119.890 2.550 1
1 290 . 6 1 1 A 25 25 THR H H 25 8.444 8.502 -0.058 1
1 291 . 6 1 1 A 25 25 THR HA H 25 3.924 3.860 0.064 1
1 296 . 6 1 1 A 25 25 THR C C 25 176.695 176.137 0.558 1
1 297 . 6 1 1 A 25 25 THR CA C 25 66.636 66.229 0.407 1
1 298 . 6 1 1 A 25 25 THR CB C 25 68.177 68.474 -0.297 1
1 300 . 6 1 1 A 25 25 THR N N 25 117.219 113.350 3.869 1
1 301 . 6 1 1 A 26 26 ALA H H 26 7.755 7.773 -0.018 1
1 302 . 6 1 1 A 26 26 ALA HA H 26 3.427 3.534 -0.107 1
1 306 . 6 1 1 A 26 26 ALA C C 26 176.844 180.199 -3.355 1
1 307 . 6 1 1 A 26 26 ALA CA C 26 55.025 55.255 -0.230 1
1 308 . 6 1 1 A 26 26 ALA CB C 26 17.772 17.339 0.433 1
1 309 . 6 1 1 A 26 26 ALA N N 26 125.147 122.792 2.355 1
1 310 . 6 1 1 A 27 27 GLU H H 27 8.412 8.838 -0.426 1
1 311 . 6 1 1 A 27 27 GLU HA H 27 2.758 3.805 -1.047 1
1 316 . 6 1 1 A 27 27 GLU C C 27 177.417 179.103 -1.686 1
1 317 . 6 1 1 A 27 27 GLU CA C 27 59.932 59.357 0.575 1
1 318 . 6 1 1 A 27 27 GLU CB C 27 28.943 29.201 -0.258 1
1 320 . 6 1 1 A 27 27 GLU N N 27 119.203 117.967 1.236 1
1 321 . 6 1 1 A 28 28 LYS H H 28 7.013 7.745 -0.732 1
1 322 . 6 1 1 A 28 28 LYS HA H 28 3.626 4.034 -0.408 1
1 329 . 6 1 1 A 28 28 LYS C C 28 178.802 178.582 0.220 1
1 330 . 6 1 1 A 28 28 LYS CA C 28 59.572 58.846 0.726 1
1 331 . 6 1 1 A 28 28 LYS CB C 28 32.290 32.306 -0.016 1
1 335 . 6 1 1 A 28 28 LYS N N 28 116.415 120.850 -4.435 1
1 336 . 6 1 1 A 29 29 TYR H H 29 7.815 8.202 -0.387 1
1 337 . 6 1 1 A 29 29 TYR HA H 29 3.841 4.221 -0.380 1
1 344 . 6 1 1 A 29 29 TYR C C 29 178.466 177.458 1.008 1
1 345 . 6 1 1 A 29 29 TYR CA C 29 61.703 61.697 0.006 1
1 346 . 6 1 1 A 29 29 TYR CB C 29 38.193 39.157 -0.964 1
1 351 . 6 1 1 A 29 29 TYR N N 29 119.360 120.693 -1.333 1
1 352 . 6 1 1 A 30 30 PHE H H 30 8.979 8.949 0.030 1
1 353 . 6 1 1 A 30 30 PHE HA H 30 4.451 4.350 0.101 1
1 360 . 6 1 1 A 30 30 PHE C C 30 178.342 178.026 0.316 1
1 361 . 6 1 1 A 30 30 PHE CA C 30 59.395 61.980 -2.585 1
1 362 . 6 1 1 A 30 30 PHE CB C 30 37.451 38.372 -0.921 1
1 367 . 6 1 1 A 30 30 PHE N N 30 119.088 118.219 0.869 1
1 368 . 6 1 1 A 31 31 LYS H H 31 8.464 8.169 0.295 1
1 369 . 6 1 1 A 31 31 LYS HA H 31 3.983 4.420 -0.437 1
1 376 . 6 1 1 A 31 31 LYS C C 31 179.506 179.368 0.138 1
1 377 . 6 1 1 A 31 31 LYS CA C 31 60.031 59.768 0.263 1
1 378 . 6 1 1 A 31 31 LYS CB C 31 31.236 32.395 -1.159 1
1 381 . 6 1 1 A 31 31 LYS N N 31 122.220 121.177 1.043 1
1 382 . 6 1 1 A 32 32 LEU H H 32 7.314 7.941 -0.627 1
1 383 . 6 1 1 A 32 32 LEU HA H 32 3.990 3.960 0.030 1
1 390 . 6 1 1 A 32 32 LEU C C 32 179.565 178.897 0.668 1
1 391 . 6 1 1 A 32 32 LEU CA C 32 58.069 57.758 0.311 1
1 392 . 6 1 1 A 32 32 LEU CB C 32 41.329 41.044 0.285 1
1 395 . 6 1 1 A 32 32 LEU N N 32 120.642 119.346 1.296 1
1 396 . 6 1 1 A 33 33 TYR H H 33 8.018 8.157 -0.139 1
1 397 . 6 1 1 A 33 33 TYR HA H 33 3.999 4.110 -0.111 1
1 405 . 6 1 1 A 33 33 TYR C C 33 177.598 178.002 -0.404 1
1 406 . 6 1 1 A 33 33 TYR CA C 33 61.107 61.736 -0.629 1
1 407 . 6 1 1 A 33 33 TYR CB C 33 39.081 39.045 0.036 1
1 412 . 6 1 1 A 33 33 TYR N N 33 122.222 119.476 2.746 1
1 413 . 6 1 1 A 34 34 ALA H H 34 8.794 8.417 0.377 1
1 414 . 6 1 1 A 34 34 ALA HA H 34 3.783 4.204 -0.421 1
1 418 . 6 1 1 A 34 34 ALA C C 34 179.307 180.131 -0.824 1
1 419 . 6 1 1 A 34 34 ALA CA C 34 54.459 54.781 -0.322 1
1 420 . 6 1 1 A 34 34 ALA CB C 34 18.376 18.201 0.175 1
1 421 . 6 1 1 A 34 34 ALA N N 34 119.675 121.663 -1.988 1
1 422 . 6 1 1 A 35 35 ASN H H 35 8.156 8.230 -0.074 1
1 423 . 6 1 1 A 35 35 ASN HA H 35 4.489 4.506 -0.017 1
1 426 . 6 1 1 A 35 35 ASN C C 35 177.869 176.987 0.882 1
1 427 . 6 1 1 A 35 35 ASN CA C 35 56.410 55.718 0.692 1
1 428 . 6 1 1 A 35 35 ASN CB C 35 38.339 38.612 -0.273 1
1 429 . 6 1 1 A 35 35 ASN N N 35 117.882 117.462 0.420 1
1 430 . 6 1 1 A 36 36 ALA H H 36 7.804 7.499 0.305 1
1 431 . 6 1 1 A 36 36 ALA HA H 36 4.087 4.285 -0.198 1
1 435 . 6 1 1 A 36 36 ALA C C 36 178.579 179.323 -0.744 1
1 436 . 6 1 1 A 36 36 ALA CA C 36 53.893 54.321 -0.428 1
1 437 . 6 1 1 A 36 36 ALA CB C 36 17.782 19.536 -1.754 1
1 438 . 6 1 1 A 36 36 ALA N N 36 121.244 121.194 0.050 1
1 439 . 6 1 1 A 37 37 LYS H H 37 7.380 7.576 -0.196 1
1 440 . 6 1 1 A 37 37 LYS HA H 37 4.164 3.837 0.327 1
1 447 . 6 1 1 A 37 37 LYS C C 37 175.831 175.994 -0.163 1
1 448 . 6 1 1 A 37 37 LYS CA C 37 56.020 58.834 -2.814 1
1 449 . 6 1 1 A 37 37 LYS CB C 37 32.876 31.847 1.029 1
1 453 . 6 1 1 A 37 37 LYS N N 37 116.585 117.043 -0.458 1
1 454 . 6 1 1 A 38 38 THR H H 38 7.891 6.991 0.900 1
1 455 . 6 1 1 A 38 38 THR HA H 38 4.144 4.807 -0.663 1
1 460 . 6 1 1 A 38 38 THR C C 38 172.820 173.266 -0.446 1
1 461 . 6 1 1 A 38 38 THR CA C 38 61.719 60.690 1.029 1
1 462 . 6 1 1 A 38 38 THR CB C 38 68.688 71.756 -3.068 1
1 464 . 6 1 1 A 38 38 THR N N 38 113.375 111.352 2.023 1
1 465 . 6 1 1 A 39 39 VAL H H 39 7.939 8.509 -0.570 1
1 466 . 6 1 1 A 39 39 VAL HA H 39 4.148 4.846 -0.698 1
1 471 . 6 1 1 A 39 39 VAL C C 39 174.525 174.411 0.114 1
1 472 . 6 1 1 A 39 39 VAL CA C 39 62.125 59.068 3.057 1
1 473 . 6 1 1 A 39 39 VAL CB C 39 32.720 35.534 -2.814 1
1 475 . 6 1 1 A 39 39 VAL N N 39 120.564 118.373 2.191 1
1 476 . 6 1 1 A 40 40 GLU H H 40 8.586 8.697 -0.111 1
1 477 . 6 1 1 A 40 40 GLU HA H 40 4.533 5.085 -0.552 1
1 482 . 6 1 1 A 40 40 GLU C C 40 175.158 175.392 -0.234 1
1 483 . 6 1 1 A 40 40 GLU CA C 40 55.211 55.602 -0.391 1
1 484 . 6 1 1 A 40 40 GLU CB C 40 31.130 30.714 0.416 1
1 486 . 6 1 1 A 40 40 GLU N N 40 126.113 121.396 4.717 1
1 487 . 6 1 1 A 41 41 GLY H H 41 8.042 8.643 -0.601 1
1 488 . 6 1 1 A 41 41 GLY HA2 H 41 4.059 4.157 -0.098 1
1 489 . 6 1 1 A 41 41 GLY HA3 H 41 3.533 4.207 -0.674 1
1 490 . 6 1 1 A 41 41 GLY C C 41 174.994 173.283 1.711 1
1 491 . 6 1 1 A 41 41 GLY CA C 41 45.300 44.710 0.590 1
1 492 . 6 1 1 A 41 41 GLY N N 41 107.727 110.680 -2.953 1
1 493 . 6 1 1 A 42 42 VAL H H 42 8.349 9.060 -0.711 1
1 494 . 6 1 1 A 42 42 VAL HA H 42 4.303 4.289 0.014 1
1 499 . 6 1 1 A 42 42 VAL C C 42 176.649 175.898 0.751 1
1 500 . 6 1 1 A 42 42 VAL CA C 42 62.243 63.121 -0.878 1
1 501 . 6 1 1 A 42 42 VAL CB C 42 33.763 31.404 2.359 1
1 503 . 6 1 1 A 42 42 VAL N N 42 121.379 121.059 0.320 1
1 504 . 6 1 1 A 43 43 TRP H H 43 9.250 9.168 0.082 1
1 505 . 6 1 1 A 43 43 TRP HA H 43 5.104 5.113 -0.009 1
1 514 . 6 1 1 A 43 43 TRP C C 43 177.089 176.527 0.562 1
1 515 . 6 1 1 A 43 43 TRP CA C 43 57.991 56.954 1.037 1
1 516 . 6 1 1 A 43 43 TRP CB C 43 29.904 31.206 -1.302 1
1 521 . 6 1 1 A 43 43 TRP N N 43 130.568 129.089 1.479 1
1 523 . 6 1 1 A 44 44 THR H H 44 9.219 8.957 0.262 1
1 524 . 6 1 1 A 44 44 THR HA H 44 4.694 4.847 -0.153 1
1 529 . 6 1 1 A 44 44 THR C C 44 172.706 172.833 -0.127 1
1 530 . 6 1 1 A 44 44 THR CA C 44 60.957 61.316 -0.359 1
1 531 . 6 1 1 A 44 44 THR CB C 44 72.616 72.247 0.369 1
1 533 . 6 1 1 A 44 44 THR N N 44 114.918 115.770 -0.852 1
1 534 . 6 1 1 A 45 45 TYR H H 45 8.553 8.908 -0.355 1
1 535 . 6 1 1 A 45 45 TYR HA H 45 5.002 5.264 -0.262 1
1 540 . 6 1 1 A 45 45 TYR C C 45 173.745 173.795 -0.050 1
1 541 . 6 1 1 A 45 45 TYR CA C 45 57.249 56.178 1.071 1
1 542 . 6 1 1 A 45 45 TYR CB C 45 41.719 42.219 -0.500 1
1 545 . 6 1 1 A 45 45 TYR N N 45 121.490 126.755 -5.265 1
1 546 . 6 1 1 A 46 46 LYS H H 46 7.348 8.111 -0.763 1
1 547 . 6 1 1 A 46 46 LYS HA H 46 4.222 4.701 -0.479 1
1 554 . 6 1 1 A 46 46 LYS C C 46 175.715 175.012 0.703 1
1 555 . 6 1 1 A 46 46 LYS CA C 46 53.576 54.342 -0.766 1
1 556 . 6 1 1 A 46 46 LYS CB C 46 33.582 34.859 -1.277 1
1 560 . 6 1 1 A 46 46 LYS N N 46 129.620 124.935 4.685 1
1 561 . 6 1 1 A 47 47 ASP H H 47 8.578 8.714 -0.136 1
1 562 . 6 1 1 A 47 47 ASP HA H 47 4.126 4.731 -0.605 1
1 565 . 6 1 1 A 47 47 ASP C C 47 179.207 176.235 2.972 1
1 566 . 6 1 1 A 47 47 ASP CA C 47 57.191 53.813 3.378 1
1 567 . 6 1 1 A 47 47 ASP CB C 47 41.969 41.375 0.594 1
1 568 . 6 1 1 A 47 47 ASP N N 47 125.757 126.348 -0.591 1
1 569 . 6 1 1 A 48 48 GLU H H 48 9.445 7.712 1.733 1
1 570 . 6 1 1 A 48 48 GLU HA H 48 3.918 4.400 -0.482 1
1 575 . 6 1 1 A 48 48 GLU C C 48 177.578 177.490 0.088 1
1 576 . 6 1 1 A 48 48 GLU CA C 48 60.066 57.153 2.913 1
1 577 . 6 1 1 A 48 48 GLU CB C 48 29.343 31.694 -2.351 1
1 579 . 6 1 1 A 48 48 GLU N N 48 117.612 118.843 -1.231 1
1 580 . 6 1 1 A 49 49 THR H H 49 6.624 7.582 -0.958 1
1 581 . 6 1 1 A 49 49 THR HA H 49 4.414 4.479 -0.065 1
1 586 . 6 1 1 A 49 49 THR C C 49 175.232 173.802 1.430 1
1 587 . 6 1 1 A 49 49 THR CA C 49 59.873 60.805 -0.932 1
1 588 . 6 1 1 A 49 49 THR CB C 49 69.188 69.512 -0.324 1
1 590 . 6 1 1 A 49 49 THR N N 49 103.078 107.406 -4.328 1
1 591 . 6 1 1 A 50 50 LYS H H 50 7.828 7.845 -0.017 1
1 592 . 6 1 1 A 50 50 LYS HA H 50 4.139 4.065 0.074 1
1 597 . 6 1 1 A 50 50 LYS C C 50 174.786 175.116 -0.330 1
1 598 . 6 1 1 A 50 50 LYS CA C 50 55.981 56.837 -0.856 1
1 599 . 6 1 1 A 50 50 LYS CB C 50 29.258 29.887 -0.629 1
1 602 . 6 1 1 A 50 50 LYS N N 50 123.628 115.472 8.156 1
1 603 . 6 1 1 A 51 51 THR H H 51 7.216 7.282 -0.066 1
1 604 . 6 1 1 A 51 51 THR HA H 51 5.433 5.199 0.234 1
1 609 . 6 1 1 A 51 51 THR C C 51 174.574 172.898 1.676 1
1 610 . 6 1 1 A 51 51 THR CA C 51 62.224 61.674 0.550 1
1 611 . 6 1 1 A 51 51 THR CB C 51 72.346 71.183 1.163 1
1 613 . 6 1 1 A 51 51 THR N N 51 110.763 113.506 -2.743 1
1 614 . 6 1 1 A 52 52 PHE H H 52 10.222 9.935 0.287 1
1 615 . 6 1 1 A 52 52 PHE HA H 52 5.447 5.671 -0.224 1
1 622 . 6 1 1 A 52 52 PHE C C 52 174.401 175.268 -0.867 1
1 623 . 6 1 1 A 52 52 PHE CA C 52 57.269 56.345 0.924 1
1 624 . 6 1 1 A 52 52 PHE CB C 52 42.143 42.896 -0.753 1
1 629 . 6 1 1 A 52 52 PHE N N 52 130.993 125.154 5.839 1
1 630 . 6 1 1 A 53 53 THR H H 53 9.099 9.245 -0.146 1
1 631 . 6 1 1 A 53 53 THR HA H 53 5.108 5.099 0.009 1
1 636 . 6 1 1 A 53 53 THR C C 53 172.565 172.659 -0.094 1
1 637 . 6 1 1 A 53 53 THR CA C 53 61.737 61.548 0.189 1
1 638 . 6 1 1 A 53 53 THR CB C 53 70.663 71.455 -0.792 1
1 640 . 6 1 1 A 53 53 THR N N 53 117.968 114.664 3.304 1
1 641 . 6 1 1 A 54 54 VAL H H 54 8.496 8.881 -0.385 1
1 642 . 6 1 1 A 54 54 VAL HA H 54 4.410 5.130 -0.720 1
1 650 . 6 1 1 A 54 54 VAL C C 54 173.790 173.562 0.228 1
1 651 . 6 1 1 A 54 54 VAL CA C 54 59.103 60.193 -1.090 1
1 652 . 6 1 1 A 54 54 VAL CB C 54 32.651 34.279 -1.628 1
1 655 . 6 1 1 A 54 54 VAL N N 54 125.071 125.984 -0.913 1
1 656 . 6 1 1 A 55 55 THR H H 55 8.265 8.706 -0.441 1
1 657 . 6 1 1 A 55 55 THR HA H 55 4.792 5.063 -0.271 1
1 662 . 6 1 1 A 55 55 THR C C 55 173.789 172.107 1.682 1
1 663 . 6 1 1 A 55 55 THR CA C 55 61.035 59.533 1.502 1
1 664 . 6 1 1 A 55 55 THR CB C 55 71.261 71.634 -0.373 1
1 666 . 6 1 1 A 55 55 THR N N 55 122.202 121.794 0.408 1
1 10 . 7 1 1 A 2 2 THR H H 2 8.719 8.947 -0.228 1
1 11 . 7 1 1 A 2 2 THR HA H 2 4.251 4.566 -0.315 1
1 16 . 7 1 1 A 2 2 THR C C 2 172.951 172.570 0.381 1
1 17 . 7 1 1 A 2 2 THR CA C 2 63.748 62.098 1.650 1
1 18 . 7 1 1 A 2 2 THR CB C 2 68.568 69.004 -0.436 1
1 20 . 7 1 1 A 2 2 THR N N 2 123.894 123.280 0.614 1
1 21 . 7 1 1 A 3 3 TYR H H 3 8.841 9.506 -0.665 1
1 22 . 7 1 1 A 3 3 TYR HA H 3 5.289 5.398 -0.109 1
1 29 . 7 1 1 A 3 3 TYR C C 3 173.975 174.866 -0.891 1
1 30 . 7 1 1 A 3 3 TYR CA C 3 57.850 56.586 1.264 1
1 31 . 7 1 1 A 3 3 TYR CB C 3 43.043 40.552 2.491 1
1 36 . 7 1 1 A 3 3 TYR N N 3 127.370 128.567 -1.197 1
1 37 . 7 1 1 A 4 4 LYS H H 4 8.791 9.139 -0.348 1
1 38 . 7 1 1 A 4 4 LYS HA H 4 5.344 5.385 -0.041 1
1 43 . 7 1 1 A 4 4 LYS C C 4 173.055 174.522 -1.467 1
1 44 . 7 1 1 A 4 4 LYS CA C 4 54.537 55.240 -0.703 1
1 45 . 7 1 1 A 4 4 LYS CB C 4 35.881 35.118 0.763 1
1 48 . 7 1 1 A 4 4 LYS N N 4 121.038 125.366 -4.328 1
1 49 . 7 1 1 A 5 5 LEU H H 5 9.005 8.856 0.149 1
1 50 . 7 1 1 A 5 5 LEU HA H 5 4.889 5.069 -0.180 1
1 60 . 7 1 1 A 5 5 LEU C C 5 174.789 173.920 0.869 1
1 61 . 7 1 1 A 5 5 LEU CA C 5 52.566 53.370 -0.804 1
1 62 . 7 1 1 A 5 5 LEU CB C 5 44.174 45.546 -1.372 1
1 65 . 7 1 1 A 5 5 LEU N N 5 126.547 125.937 0.610 1
1 66 . 7 1 1 A 6 6 ILE H H 6 9.104 8.582 0.522 1
1 67 . 7 1 1 A 6 6 ILE HA H 6 4.970 4.930 0.040 1
1 71 . 7 1 1 A 6 6 ILE C C 6 174.690 173.779 0.911 1
1 72 . 7 1 1 A 6 6 ILE CA C 6 60.313 59.190 1.123 1
1 73 . 7 1 1 A 6 6 ILE CB C 6 38.652 41.328 -2.676 1
1 76 . 7 1 1 A 6 6 ILE N N 6 126.502 124.813 1.689 1
1 77 . 7 1 1 A 7 7 LEU H H 7 8.907 9.317 -0.410 1
1 78 . 7 1 1 A 7 7 LEU HA H 7 4.452 5.749 -1.297 1
1 88 . 7 1 1 A 7 7 LEU C C 7 174.573 175.923 -1.350 1
1 89 . 7 1 1 A 7 7 LEU CA C 7 54.010 53.261 0.749 1
1 90 . 7 1 1 A 7 7 LEU CB C 7 41.072 45.279 -4.207 1
1 93 . 7 1 1 A 7 7 LEU N N 7 126.037 129.766 -3.729 1
1 94 . 7 1 1 A 8 8 ASN H H 8 8.941 8.838 0.103 1
1 95 . 7 1 1 A 8 8 ASN HA H 8 4.943 5.256 -0.313 1
1 100 . 7 1 1 A 8 8 ASN C C 8 174.323 174.673 -0.350 1
1 101 . 7 1 1 A 8 8 ASN CA C 8 51.785 52.095 -0.310 1
1 102 . 7 1 1 A 8 8 ASN CB C 8 38.008 39.724 -1.716 1
1 103 . 7 1 1 A 8 8 ASN N N 8 125.436 122.285 3.151 1
1 105 . 7 1 1 A 9 9 LEU H H 9 7.636 8.007 -0.371 1
1 106 . 7 1 1 A 9 9 LEU HA H 9 4.548 4.733 -0.185 1
1 113 . 7 1 1 A 9 9 LEU C C 9 177.230 177.495 -0.265 1
1 114 . 7 1 1 A 9 9 LEU CA C 9 53.502 53.222 0.280 1
1 115 . 7 1 1 A 9 9 LEU CB C 9 41.569 44.096 -2.527 1
1 118 . 7 1 1 A 9 9 LEU N N 9 121.638 123.021 -1.383 1
1 119 . 7 1 1 A 10 10 LYS H H 10 9.138 8.526 0.612 1
1 120 . 7 1 1 A 10 10 LYS HA H 10 3.964 3.960 0.004 1
1 127 . 7 1 1 A 10 10 LYS C C 10 179.119 178.199 0.920 1
1 128 . 7 1 1 A 10 10 LYS CA C 10 59.786 59.484 0.302 1
1 129 . 7 1 1 A 10 10 LYS CB C 10 31.825 32.083 -0.258 1
1 133 . 7 1 1 A 10 10 LYS N N 10 120.948 120.386 0.562 1
1 134 . 7 1 1 A 11 11 GLN H H 11 8.432 7.624 0.808 1
1 135 . 7 1 1 A 11 11 GLN HA H 11 4.325 4.207 0.118 1
1 140 . 7 1 1 A 11 11 GLN C C 11 175.294 175.954 -0.660 1
1 141 . 7 1 1 A 11 11 GLN CA C 11 55.903 58.276 -2.373 1
1 142 . 7 1 1 A 11 11 GLN CB C 11 29.207 29.355 -0.148 1
1 144 . 7 1 1 A 11 11 GLN N N 11 113.252 117.559 -4.307 1
1 145 . 7 1 1 A 12 12 ALA H H 12 7.079 7.248 -0.169 1
1 146 . 7 1 1 A 12 12 ALA HA H 12 4.318 4.403 -0.085 1
1 150 . 7 1 1 A 12 12 ALA C C 12 174.190 174.999 -0.809 1
1 151 . 7 1 1 A 12 12 ALA CA C 12 52.507 51.563 0.944 1
1 152 . 7 1 1 A 12 12 ALA CB C 12 21.479 21.454 0.025 1
1 153 . 7 1 1 A 12 12 ALA N N 12 120.435 118.141 2.294 1
1 154 . 7 1 1 A 13 13 LYS H H 13 8.156 8.370 -0.214 1
1 155 . 7 1 1 A 13 13 LYS HA H 13 5.197 5.006 0.191 1
1 162 . 7 1 1 A 13 13 LYS C C 13 176.127 175.746 0.381 1
1 163 . 7 1 1 A 13 13 LYS CA C 13 55.036 54.860 0.176 1
1 164 . 7 1 1 A 13 13 LYS CB C 13 33.890 33.892 -0.002 1
1 168 . 7 1 1 A 13 13 LYS N N 13 120.644 118.130 2.514 1
1 169 . 7 1 1 A 14 14 GLU H H 14 8.545 8.967 -0.422 1
1 170 . 7 1 1 A 14 14 GLU HA H 14 4.629 5.288 -0.659 1
1 175 . 7 1 1 A 14 14 GLU C C 14 173.875 175.463 -1.588 1
1 176 . 7 1 1 A 14 14 GLU CA C 14 54.680 54.658 0.022 1
1 177 . 7 1 1 A 14 14 GLU CB C 14 34.319 33.520 0.799 1
1 179 . 7 1 1 A 14 14 GLU N N 14 123.133 123.296 -0.163 1
1 180 . 7 1 1 A 15 15 GLU H H 15 8.532 9.030 -0.498 1
1 181 . 7 1 1 A 15 15 GLU HA H 15 5.465 5.238 0.227 1
1 186 . 7 1 1 A 15 15 GLU C C 15 175.284 174.648 0.636 1
1 188 . 7 1 1 A 15 15 GLU N N 15 120.437 119.790 0.647 1
1 189 . 7 1 1 A 16 16 ALA H H 16 9.161 8.785 0.376 1
1 190 . 7 1 1 A 16 16 ALA HA H 16 4.731 4.852 -0.121 1
1 194 . 7 1 1 A 16 16 ALA C C 16 174.936 175.367 -0.431 1
1 195 . 7 1 1 A 16 16 ALA CA C 16 51.278 51.262 0.016 1
1 196 . 7 1 1 A 16 16 ALA CB C 16 22.037 23.776 -1.739 1
1 197 . 7 1 1 A 16 16 ALA N N 16 126.588 121.515 5.073 1
1 198 . 7 1 1 A 17 17 ILE H H 17 8.387 8.811 -0.424 1
1 199 . 7 1 1 A 17 17 ILE HA H 17 5.325 5.113 0.212 1
1 206 . 7 1 1 A 17 17 ILE C C 17 176.066 173.581 2.485 1
1 210 . 7 1 1 A 17 17 ILE N N 17 117.620 119.458 -1.838 1
1 211 . 7 1 1 A 18 18 LYS H H 18 9.152 9.976 -0.824 1
1 212 . 7 1 1 A 18 18 LYS HA H 18 4.385 4.859 -0.474 1
1 221 . 7 1 1 A 18 18 LYS C C 18 173.587 175.372 -1.785 1
1 222 . 7 1 1 A 18 18 LYS CA C 18 55.084 53.958 1.126 1
1 223 . 7 1 1 A 18 18 LYS CB C 18 36.862 35.978 0.884 1
1 227 . 7 1 1 A 18 18 LYS N N 18 125.563 127.948 -2.385 1
1 228 . 7 1 1 A 19 19 GLU H H 19 8.337 8.264 0.073 1
1 229 . 7 1 1 A 19 19 GLU HA H 19 4.907 5.186 -0.279 1
1 234 . 7 1 1 A 19 19 GLU C C 19 175.687 175.339 0.348 1
1 235 . 7 1 1 A 19 19 GLU CA C 19 55.679 54.695 0.984 1
1 236 . 7 1 1 A 19 19 GLU CB C 19 29.158 32.630 -3.472 1
1 238 . 7 1 1 A 19 19 GLU N N 19 127.836 119.554 8.282 1
1 239 . 7 1 1 A 20 20 LEU H H 20 8.710 8.903 -0.193 1
1 240 . 7 1 1 A 20 20 LEU HA H 20 4.798 4.756 0.042 1
1 247 . 7 1 1 A 20 20 LEU C C 20 177.829 176.612 1.217 1
1 248 . 7 1 1 A 20 20 LEU CA C 20 53.519 53.502 0.017 1
1 249 . 7 1 1 A 20 20 LEU CB C 20 47.902 45.915 1.987 1
1 252 . 7 1 1 A 20 20 LEU N N 20 127.240 123.026 4.214 1
1 253 . 7 1 1 A 21 21 VAL H H 21 8.236 8.571 -0.335 1
1 254 . 7 1 1 A 21 21 VAL HA H 21 3.947 4.623 -0.676 1
1 259 . 7 1 1 A 21 21 VAL C C 21 175.301 175.403 -0.102 1
1 260 . 7 1 1 A 21 21 VAL CA C 21 64.879 62.941 1.938 1
1 261 . 7 1 1 A 21 21 VAL CB C 21 32.290 32.044 0.246 1
1 263 . 7 1 1 A 21 21 VAL N N 21 116.513 119.558 -3.045 1
1 264 . 7 1 1 A 22 22 ASP H H 22 7.071 8.009 -0.938 1
1 265 . 7 1 1 A 22 22 ASP HA H 22 4.028 5.217 -1.189 1
1 268 . 7 1 1 A 22 22 ASP C C 22 172.221 176.290 -4.069 1
1 269 . 7 1 1 A 22 22 ASP CA C 22 52.983 52.808 0.175 1
1 270 . 7 1 1 A 22 22 ASP CB C 22 42.107 43.798 -1.691 1
1 271 . 7 1 1 A 22 22 ASP N N 22 115.040 120.472 -5.432 1
1 272 . 7 1 1 A 23 23 ALA H H 23 8.332 8.842 -0.510 1
1 273 . 7 1 1 A 23 23 ALA HA H 23 4.136 3.743 0.393 1
1 277 . 7 1 1 A 23 23 ALA C C 23 179.560 179.496 0.064 1
1 278 . 7 1 1 A 23 23 ALA CA C 23 55.215 54.836 0.379 1
1 279 . 7 1 1 A 23 23 ALA CB C 23 17.337 18.227 -0.890 1
1 280 . 7 1 1 A 23 23 ALA N N 23 121.322 123.267 -1.945 1
1 281 . 7 1 1 A 24 24 ALA H H 24 8.168 8.047 0.121 1
1 282 . 7 1 1 A 24 24 ALA HA H 24 4.000 4.004 -0.004 1
1 286 . 7 1 1 A 24 24 ALA C C 24 181.170 179.476 1.694 1
1 287 . 7 1 1 A 24 24 ALA CA C 24 54.771 55.154 -0.383 1
1 288 . 7 1 1 A 24 24 ALA CB C 24 17.274 19.043 -1.769 1
1 289 . 7 1 1 A 24 24 ALA N N 24 122.440 120.226 2.214 1
1 290 . 7 1 1 A 25 25 THR H H 25 8.444 7.922 0.522 1
1 291 . 7 1 1 A 25 25 THR HA H 25 3.924 3.862 0.062 1
1 296 . 7 1 1 A 25 25 THR C C 25 176.695 176.022 0.673 1
1 297 . 7 1 1 A 25 25 THR CA C 25 66.636 66.349 0.287 1
1 298 . 7 1 1 A 25 25 THR CB C 25 68.177 68.498 -0.321 1
1 300 . 7 1 1 A 25 25 THR N N 25 117.219 113.487 3.732 1
1 301 . 7 1 1 A 26 26 ALA H H 26 7.755 7.807 -0.052 1
1 302 . 7 1 1 A 26 26 ALA HA H 26 3.427 3.653 -0.226 1
1 306 . 7 1 1 A 26 26 ALA C C 26 176.844 178.977 -2.133 1
1 307 . 7 1 1 A 26 26 ALA CA C 26 55.025 55.368 -0.343 1
1 308 . 7 1 1 A 26 26 ALA CB C 26 17.772 17.518 0.254 1
1 309 . 7 1 1 A 26 26 ALA N N 26 125.147 123.082 2.065 1
1 310 . 7 1 1 A 27 27 GLU H H 27 8.412 9.148 -0.736 1
1 311 . 7 1 1 A 27 27 GLU HA H 27 2.758 3.517 -0.759 1
1 316 . 7 1 1 A 27 27 GLU C C 27 177.417 178.420 -1.003 1
1 317 . 7 1 1 A 27 27 GLU CA C 27 59.932 59.173 0.759 1
1 318 . 7 1 1 A 27 27 GLU CB C 27 28.943 29.080 -0.137 1
1 320 . 7 1 1 A 27 27 GLU N N 27 119.203 118.263 0.940 1
1 321 . 7 1 1 A 28 28 LYS H H 28 7.013 7.660 -0.647 1
1 322 . 7 1 1 A 28 28 LYS HA H 28 3.626 3.990 -0.364 1
1 329 . 7 1 1 A 28 28 LYS C C 28 178.802 178.426 0.376 1
1 330 . 7 1 1 A 28 28 LYS CA C 28 59.572 58.700 0.872 1
1 331 . 7 1 1 A 28 28 LYS CB C 28 32.290 32.320 -0.030 1
1 335 . 7 1 1 A 28 28 LYS N N 28 116.415 119.265 -2.850 1
1 336 . 7 1 1 A 29 29 TYR H H 29 7.815 8.319 -0.504 1
1 337 . 7 1 1 A 29 29 TYR HA H 29 3.841 4.225 -0.384 1
1 344 . 7 1 1 A 29 29 TYR C C 29 178.466 177.479 0.987 1
1 345 . 7 1 1 A 29 29 TYR CA C 29 61.703 61.574 0.129 1
1 346 . 7 1 1 A 29 29 TYR CB C 29 38.193 38.767 -0.574 1
1 351 . 7 1 1 A 29 29 TYR N N 29 119.360 120.437 -1.077 1
1 352 . 7 1 1 A 30 30 PHE H H 30 8.979 9.049 -0.070 1
1 353 . 7 1 1 A 30 30 PHE HA H 30 4.451 4.412 0.039 1
1 360 . 7 1 1 A 30 30 PHE C C 30 178.342 178.059 0.283 1
1 361 . 7 1 1 A 30 30 PHE CA C 30 59.395 62.016 -2.621 1
1 362 . 7 1 1 A 30 30 PHE CB C 30 37.451 38.402 -0.951 1
1 367 . 7 1 1 A 30 30 PHE N N 30 119.088 118.230 0.858 1
1 368 . 7 1 1 A 31 31 LYS H H 31 8.464 7.980 0.484 1
1 369 . 7 1 1 A 31 31 LYS HA H 31 3.983 4.387 -0.404 1
1 376 . 7 1 1 A 31 31 LYS C C 31 179.506 179.497 0.009 1
1 377 . 7 1 1 A 31 31 LYS CA C 31 60.031 59.347 0.684 1
1 378 . 7 1 1 A 31 31 LYS CB C 31 31.236 31.944 -0.708 1
1 381 . 7 1 1 A 31 31 LYS N N 31 122.220 120.220 2.000 1
1 382 . 7 1 1 A 32 32 LEU H H 32 7.314 8.017 -0.703 1
1 383 . 7 1 1 A 32 32 LEU HA H 32 3.990 4.016 -0.026 1
1 390 . 7 1 1 A 32 32 LEU C C 32 179.565 178.997 0.568 1
1 391 . 7 1 1 A 32 32 LEU CA C 32 58.069 57.664 0.405 1
1 392 . 7 1 1 A 32 32 LEU CB C 32 41.329 41.263 0.066 1
1 395 . 7 1 1 A 32 32 LEU N N 32 120.642 119.566 1.076 1
1 396 . 7 1 1 A 33 33 TYR H H 33 8.018 8.135 -0.117 1
1 397 . 7 1 1 A 33 33 TYR HA H 33 3.999 4.135 -0.136 1
1 405 . 7 1 1 A 33 33 TYR C C 33 177.598 177.786 -0.188 1
1 406 . 7 1 1 A 33 33 TYR CA C 33 61.107 61.853 -0.746 1
1 407 . 7 1 1 A 33 33 TYR CB C 33 39.081 38.766 0.315 1
1 412 . 7 1 1 A 33 33 TYR N N 33 122.222 119.389 2.833 1
1 413 . 7 1 1 A 34 34 ALA H H 34 8.794 8.571 0.223 1
1 414 . 7 1 1 A 34 34 ALA HA H 34 3.783 4.166 -0.383 1
1 418 . 7 1 1 A 34 34 ALA C C 34 179.307 180.579 -1.272 1
1 419 . 7 1 1 A 34 34 ALA CA C 34 54.459 55.082 -0.623 1
1 420 . 7 1 1 A 34 34 ALA CB C 34 18.376 18.162 0.214 1
1 421 . 7 1 1 A 34 34 ALA N N 34 119.675 121.571 -1.896 1
1 422 . 7 1 1 A 35 35 ASN H H 35 8.156 7.989 0.167 1
1 423 . 7 1 1 A 35 35 ASN HA H 35 4.489 4.497 -0.008 1
1 426 . 7 1 1 A 35 35 ASN C C 35 177.869 176.967 0.902 1
1 427 . 7 1 1 A 35 35 ASN CA C 35 56.410 55.862 0.548 1
1 428 . 7 1 1 A 35 35 ASN CB C 35 38.339 38.309 0.030 1
1 429 . 7 1 1 A 35 35 ASN N N 35 117.882 117.642 0.240 1
1 430 . 7 1 1 A 36 36 ALA H H 36 7.804 7.441 0.363 1
1 431 . 7 1 1 A 36 36 ALA HA H 36 4.087 4.264 -0.177 1
1 435 . 7 1 1 A 36 36 ALA C C 36 178.579 179.172 -0.593 1
1 436 . 7 1 1 A 36 36 ALA CA C 36 53.893 54.516 -0.623 1
1 437 . 7 1 1 A 36 36 ALA CB C 36 17.782 19.502 -1.720 1
1 438 . 7 1 1 A 36 36 ALA N N 36 121.244 121.134 0.110 1
1 439 . 7 1 1 A 37 37 LYS H H 37 7.380 8.016 -0.636 1
1 440 . 7 1 1 A 37 37 LYS HA H 37 4.164 3.795 0.369 1
1 447 . 7 1 1 A 37 37 LYS C C 37 175.831 177.095 -1.264 1
1 448 . 7 1 1 A 37 37 LYS CA C 37 56.020 59.099 -3.079 1
1 449 . 7 1 1 A 37 37 LYS CB C 37 32.876 31.798 1.078 1
1 453 . 7 1 1 A 37 37 LYS N N 37 116.585 117.007 -0.422 1
1 454 . 7 1 1 A 38 38 THR H H 38 7.891 7.668 0.223 1
1 455 . 7 1 1 A 38 38 THR HA H 38 4.144 4.747 -0.603 1
1 460 . 7 1 1 A 38 38 THR C C 38 172.820 173.257 -0.437 1
1 461 . 7 1 1 A 38 38 THR CA C 38 61.719 60.854 0.865 1
1 462 . 7 1 1 A 38 38 THR CB C 38 68.688 69.963 -1.275 1
1 464 . 7 1 1 A 38 38 THR N N 38 113.375 109.983 3.392 1
1 465 . 7 1 1 A 39 39 VAL H H 39 7.939 8.472 -0.533 1
1 466 . 7 1 1 A 39 39 VAL HA H 39 4.148 4.835 -0.687 1
1 471 . 7 1 1 A 39 39 VAL C C 39 174.525 174.199 0.326 1
1 472 . 7 1 1 A 39 39 VAL CA C 39 62.125 59.749 2.376 1
1 473 . 7 1 1 A 39 39 VAL CB C 39 32.720 34.348 -1.628 1
1 475 . 7 1 1 A 39 39 VAL N N 39 120.564 120.180 0.384 1
1 476 . 7 1 1 A 40 40 GLU H H 40 8.586 8.738 -0.152 1
1 477 . 7 1 1 A 40 40 GLU HA H 40 4.533 4.762 -0.229 1
1 482 . 7 1 1 A 40 40 GLU C C 40 175.158 175.884 -0.726 1
1 483 . 7 1 1 A 40 40 GLU CA C 40 55.211 55.486 -0.275 1
1 484 . 7 1 1 A 40 40 GLU CB C 40 31.130 30.711 0.419 1
1 486 . 7 1 1 A 40 40 GLU N N 40 126.113 123.651 2.462 1
1 487 . 7 1 1 A 41 41 GLY H H 41 8.042 8.616 -0.574 1
1 488 . 7 1 1 A 41 41 GLY HA2 H 41 4.059 4.054 0.005 1
1 489 . 7 1 1 A 41 41 GLY HA3 H 41 3.533 4.118 -0.585 1
1 490 . 7 1 1 A 41 41 GLY C C 41 174.994 173.153 1.841 1
1 491 . 7 1 1 A 41 41 GLY CA C 41 45.300 44.700 0.600 1
1 492 . 7 1 1 A 41 41 GLY N N 41 107.727 113.352 -5.625 1
1 493 . 7 1 1 A 42 42 VAL H H 42 8.349 8.889 -0.540 1
1 494 . 7 1 1 A 42 42 VAL HA H 42 4.303 4.240 0.063 1
1 499 . 7 1 1 A 42 42 VAL C C 42 176.649 175.268 1.381 1
1 500 . 7 1 1 A 42 42 VAL CA C 42 62.243 62.774 -0.531 1
1 501 . 7 1 1 A 42 42 VAL CB C 42 33.763 32.469 1.294 1
1 503 . 7 1 1 A 42 42 VAL N N 42 121.379 121.773 -0.394 1
1 504 . 7 1 1 A 43 43 TRP H H 43 9.250 9.048 0.202 1
1 505 . 7 1 1 A 43 43 TRP HA H 43 5.104 5.574 -0.470 1
1 514 . 7 1 1 A 43 43 TRP C C 43 177.089 176.267 0.822 1
1 515 . 7 1 1 A 43 43 TRP CA C 43 57.991 56.185 1.806 1
1 516 . 7 1 1 A 43 43 TRP CB C 43 29.904 33.579 -3.675 1
1 521 . 7 1 1 A 43 43 TRP N N 43 130.568 123.210 7.358 1
1 523 . 7 1 1 A 44 44 THR H H 44 9.219 9.396 -0.177 1
1 524 . 7 1 1 A 44 44 THR HA H 44 4.694 5.004 -0.310 1
1 529 . 7 1 1 A 44 44 THR C C 44 172.706 172.364 0.342 1
1 530 . 7 1 1 A 44 44 THR CA C 44 60.957 61.618 -0.661 1
1 531 . 7 1 1 A 44 44 THR CB C 44 72.616 71.536 1.080 1
1 533 . 7 1 1 A 44 44 THR N N 44 114.918 117.040 -2.122 1
1 534 . 7 1 1 A 45 45 TYR H H 45 8.553 9.149 -0.596 1
1 535 . 7 1 1 A 45 45 TYR HA H 45 5.002 4.862 0.140 1
1 540 . 7 1 1 A 45 45 TYR C C 45 173.745 174.095 -0.350 1
1 541 . 7 1 1 A 45 45 TYR CA C 45 57.249 57.790 -0.541 1
1 542 . 7 1 1 A 45 45 TYR CB C 45 41.719 40.036 1.683 1
1 545 . 7 1 1 A 45 45 TYR N N 45 121.490 128.949 -7.459 1
1 546 . 7 1 1 A 46 46 LYS H H 46 7.348 7.605 -0.257 1
1 547 . 7 1 1 A 46 46 LYS HA H 46 4.222 4.445 -0.223 1
1 554 . 7 1 1 A 46 46 LYS C C 46 175.715 175.842 -0.127 1
1 555 . 7 1 1 A 46 46 LYS CA C 46 53.576 54.534 -0.958 1
1 556 . 7 1 1 A 46 46 LYS CB C 46 33.582 32.718 0.864 1
1 560 . 7 1 1 A 46 46 LYS N N 46 129.620 126.432 3.188 1
1 561 . 7 1 1 A 47 47 ASP H H 47 8.578 8.315 0.263 1
1 562 . 7 1 1 A 47 47 ASP HA H 47 4.126 3.996 0.130 1
1 565 . 7 1 1 A 47 47 ASP C C 47 179.207 177.833 1.374 1
1 566 . 7 1 1 A 47 47 ASP CA C 47 57.191 56.507 0.684 1
1 567 . 7 1 1 A 47 47 ASP CB C 47 41.969 40.496 1.473 1
1 568 . 7 1 1 A 47 47 ASP N N 47 125.757 124.942 0.815 1
1 569 . 7 1 1 A 48 48 GLU H H 48 9.445 7.927 1.518 1
1 570 . 7 1 1 A 48 48 GLU HA H 48 3.918 4.084 -0.166 1
1 575 . 7 1 1 A 48 48 GLU C C 48 177.578 177.221 0.357 1
1 576 . 7 1 1 A 48 48 GLU CA C 48 60.066 58.851 1.215 1
1 577 . 7 1 1 A 48 48 GLU CB C 48 29.343 29.651 -0.308 1
1 579 . 7 1 1 A 48 48 GLU N N 48 117.612 118.250 -0.638 1
1 580 . 7 1 1 A 49 49 THR H H 49 6.624 7.371 -0.747 1
1 581 . 7 1 1 A 49 49 THR HA H 49 4.414 4.494 -0.080 1
1 586 . 7 1 1 A 49 49 THR C C 49 175.232 173.771 1.461 1
1 587 . 7 1 1 A 49 49 THR CA C 49 59.873 61.136 -1.263 1
1 588 . 7 1 1 A 49 49 THR CB C 49 69.188 69.894 -0.706 1
1 590 . 7 1 1 A 49 49 THR N N 49 103.078 110.354 -7.276 1
1 591 . 7 1 1 A 50 50 LYS H H 50 7.828 7.505 0.323 1
1 592 . 7 1 1 A 50 50 LYS HA H 50 4.139 4.039 0.100 1
1 597 . 7 1 1 A 50 50 LYS C C 50 174.786 174.967 -0.181 1
1 598 . 7 1 1 A 50 50 LYS CA C 50 55.981 56.853 -0.872 1
1 599 . 7 1 1 A 50 50 LYS CB C 50 29.258 29.957 -0.699 1
1 602 . 7 1 1 A 50 50 LYS N N 50 123.628 118.149 5.479 1
1 603 . 7 1 1 A 51 51 THR H H 51 7.216 7.187 0.029 1
1 604 . 7 1 1 A 51 51 THR HA H 51 5.433 5.336 0.097 1
1 609 . 7 1 1 A 51 51 THR C C 51 174.574 173.358 1.216 1
1 610 . 7 1 1 A 51 51 THR CA C 51 62.224 61.580 0.644 1
1 611 . 7 1 1 A 51 51 THR CB C 51 72.346 71.842 0.504 1
1 613 . 7 1 1 A 51 51 THR N N 51 110.763 113.060 -2.297 1
1 614 . 7 1 1 A 52 52 PHE H H 52 10.222 9.347 0.875 1
1 615 . 7 1 1 A 52 52 PHE HA H 52 5.447 5.306 0.141 1
1 622 . 7 1 1 A 52 52 PHE C C 52 174.401 175.479 -1.078 1
1 623 . 7 1 1 A 52 52 PHE CA C 52 57.269 57.652 -0.383 1
1 624 . 7 1 1 A 52 52 PHE CB C 52 42.143 41.346 0.797 1
1 629 . 7 1 1 A 52 52 PHE N N 52 130.993 125.623 5.370 1
1 630 . 7 1 1 A 53 53 THR H H 53 9.099 8.690 0.409 1
1 631 . 7 1 1 A 53 53 THR HA H 53 5.108 4.975 0.133 1
1 636 . 7 1 1 A 53 53 THR C C 53 172.565 172.673 -0.108 1
1 637 . 7 1 1 A 53 53 THR CA C 53 61.737 61.284 0.453 1
1 638 . 7 1 1 A 53 53 THR CB C 53 70.663 71.396 -0.733 1
1 640 . 7 1 1 A 53 53 THR N N 53 117.968 115.114 2.854 1
1 641 . 7 1 1 A 54 54 VAL H H 54 8.496 8.676 -0.180 1
1 642 . 7 1 1 A 54 54 VAL HA H 54 4.410 5.026 -0.616 1
1 650 . 7 1 1 A 54 54 VAL C C 54 173.790 173.731 0.059 1
1 651 . 7 1 1 A 54 54 VAL CA C 54 59.103 59.793 -0.690 1
1 652 . 7 1 1 A 54 54 VAL CB C 54 32.651 34.984 -2.333 1
1 655 . 7 1 1 A 54 54 VAL N N 54 125.071 125.831 -0.760 1
1 656 . 7 1 1 A 55 55 THR H H 55 8.265 8.267 -0.002 1
1 657 . 7 1 1 A 55 55 THR HA H 55 4.792 4.901 -0.109 1
1 662 . 7 1 1 A 55 55 THR C C 55 173.789 173.167 0.622 1
1 663 . 7 1 1 A 55 55 THR CA C 55 61.035 60.259 0.776 1
1 664 . 7 1 1 A 55 55 THR CB C 55 71.261 71.867 -0.606 1
1 666 . 7 1 1 A 55 55 THR N N 55 122.202 118.048 4.154 1
1 10 . 8 1 1 A 2 2 THR H H 2 8.719 8.874 -0.155 1
1 11 . 8 1 1 A 2 2 THR HA H 2 4.251 4.741 -0.490 1
1 16 . 8 1 1 A 2 2 THR C C 2 172.951 172.482 0.469 1
1 17 . 8 1 1 A 2 2 THR CA C 2 63.748 61.888 1.860 1
1 18 . 8 1 1 A 2 2 THR CB C 2 68.568 69.273 -0.705 1
1 20 . 8 1 1 A 2 2 THR N N 2 123.894 123.211 0.683 1
1 21 . 8 1 1 A 3 3 TYR H H 3 8.841 9.304 -0.463 1
1 22 . 8 1 1 A 3 3 TYR HA H 3 5.289 5.356 -0.067 1
1 29 . 8 1 1 A 3 3 TYR C C 3 173.975 174.909 -0.934 1
1 30 . 8 1 1 A 3 3 TYR CA C 3 57.850 56.547 1.303 1
1 31 . 8 1 1 A 3 3 TYR CB C 3 43.043 40.332 2.711 1
1 36 . 8 1 1 A 3 3 TYR N N 3 127.370 128.181 -0.811 1
1 37 . 8 1 1 A 4 4 LYS H H 4 8.791 9.181 -0.390 1
1 38 . 8 1 1 A 4 4 LYS HA H 4 5.344 5.381 -0.037 1
1 43 . 8 1 1 A 4 4 LYS C C 4 173.055 174.537 -1.482 1
1 44 . 8 1 1 A 4 4 LYS CA C 4 54.537 55.115 -0.578 1
1 45 . 8 1 1 A 4 4 LYS CB C 4 35.881 35.460 0.421 1
1 48 . 8 1 1 A 4 4 LYS N N 4 121.038 125.193 -4.155 1
1 49 . 8 1 1 A 5 5 LEU H H 5 9.005 9.091 -0.086 1
1 50 . 8 1 1 A 5 5 LEU HA H 5 4.889 5.258 -0.369 1
1 60 . 8 1 1 A 5 5 LEU C C 5 174.789 173.981 0.808 1
1 61 . 8 1 1 A 5 5 LEU CA C 5 52.566 53.069 -0.503 1
1 62 . 8 1 1 A 5 5 LEU CB C 5 44.174 45.488 -1.314 1
1 65 . 8 1 1 A 5 5 LEU N N 5 126.547 128.023 -1.476 1
1 66 . 8 1 1 A 6 6 ILE H H 6 9.104 8.636 0.468 1
1 67 . 8 1 1 A 6 6 ILE HA H 6 4.970 4.939 0.031 1
1 71 . 8 1 1 A 6 6 ILE C C 6 174.690 173.917 0.773 1
1 72 . 8 1 1 A 6 6 ILE CA C 6 60.313 59.415 0.898 1
1 73 . 8 1 1 A 6 6 ILE CB C 6 38.652 41.365 -2.713 1
1 76 . 8 1 1 A 6 6 ILE N N 6 126.502 124.831 1.671 1
1 77 . 8 1 1 A 7 7 LEU H H 7 8.907 9.348 -0.441 1
1 78 . 8 1 1 A 7 7 LEU HA H 7 4.452 5.660 -1.208 1
1 88 . 8 1 1 A 7 7 LEU C C 7 174.573 175.109 -0.536 1
1 89 . 8 1 1 A 7 7 LEU CA C 7 54.010 53.026 0.984 1
1 90 . 8 1 1 A 7 7 LEU CB C 7 41.072 44.971 -3.899 1
1 93 . 8 1 1 A 7 7 LEU N N 7 126.037 129.834 -3.797 1
1 94 . 8 1 1 A 8 8 ASN H H 8 8.941 8.594 0.347 1
1 95 . 8 1 1 A 8 8 ASN HA H 8 4.943 5.055 -0.112 1
1 100 . 8 1 1 A 8 8 ASN C C 8 174.323 174.356 -0.033 1
1 101 . 8 1 1 A 8 8 ASN CA C 8 51.785 51.957 -0.172 1
1 102 . 8 1 1 A 8 8 ASN CB C 8 38.008 39.246 -1.238 1
1 103 . 8 1 1 A 8 8 ASN N N 8 125.436 123.517 1.919 1
1 105 . 8 1 1 A 9 9 LEU H H 9 7.636 8.289 -0.653 1
1 106 . 8 1 1 A 9 9 LEU HA H 9 4.548 4.526 0.022 1
1 113 . 8 1 1 A 9 9 LEU C C 9 177.230 178.621 -1.391 1
1 114 . 8 1 1 A 9 9 LEU CA C 9 53.502 54.016 -0.514 1
1 115 . 8 1 1 A 9 9 LEU CB C 9 41.569 42.114 -0.545 1
1 118 . 8 1 1 A 9 9 LEU N N 9 121.638 126.942 -5.304 1
1 119 . 8 1 1 A 10 10 LYS H H 10 9.138 8.864 0.274 1
1 120 . 8 1 1 A 10 10 LYS HA H 10 3.964 3.955 0.009 1
1 127 . 8 1 1 A 10 10 LYS C C 10 179.119 178.910 0.209 1
1 128 . 8 1 1 A 10 10 LYS CA C 10 59.786 59.394 0.392 1
1 129 . 8 1 1 A 10 10 LYS CB C 10 31.825 31.985 -0.160 1
1 133 . 8 1 1 A 10 10 LYS N N 10 120.948 121.907 -0.959 1
1 134 . 8 1 1 A 11 11 GLN H H 11 8.432 7.640 0.792 1
1 135 . 8 1 1 A 11 11 GLN HA H 11 4.325 4.177 0.148 1
1 140 . 8 1 1 A 11 11 GLN C C 11 175.294 175.483 -0.189 1
1 141 . 8 1 1 A 11 11 GLN CA C 11 55.903 57.907 -2.004 1
1 142 . 8 1 1 A 11 11 GLN CB C 11 29.207 30.104 -0.897 1
1 144 . 8 1 1 A 11 11 GLN N N 11 113.252 118.549 -5.297 1
1 145 . 8 1 1 A 12 12 ALA H H 12 7.079 7.578 -0.499 1
1 146 . 8 1 1 A 12 12 ALA HA H 12 4.318 4.528 -0.210 1
1 150 . 8 1 1 A 12 12 ALA C C 12 174.190 175.086 -0.896 1
1 151 . 8 1 1 A 12 12 ALA CA C 12 52.507 51.379 1.128 1
1 152 . 8 1 1 A 12 12 ALA CB C 12 21.479 22.446 -0.967 1
1 153 . 8 1 1 A 12 12 ALA N N 12 120.435 118.318 2.117 1
1 154 . 8 1 1 A 13 13 LYS H H 13 8.156 8.474 -0.318 1
1 155 . 8 1 1 A 13 13 LYS HA H 13 5.197 4.909 0.288 1
1 162 . 8 1 1 A 13 13 LYS C C 13 176.127 174.511 1.616 1
1 163 . 8 1 1 A 13 13 LYS CA C 13 55.036 55.070 -0.034 1
1 164 . 8 1 1 A 13 13 LYS CB C 13 33.890 33.714 0.176 1
1 168 . 8 1 1 A 13 13 LYS N N 13 120.644 118.535 2.109 1
1 169 . 8 1 1 A 14 14 GLU H H 14 8.545 9.013 -0.468 1
1 170 . 8 1 1 A 14 14 GLU HA H 14 4.629 5.098 -0.469 1
1 175 . 8 1 1 A 14 14 GLU C C 14 173.875 175.200 -1.325 1
1 176 . 8 1 1 A 14 14 GLU CA C 14 54.680 54.876 -0.196 1
1 177 . 8 1 1 A 14 14 GLU CB C 14 34.319 33.071 1.248 1
1 179 . 8 1 1 A 14 14 GLU N N 14 123.133 125.691 -2.558 1
1 180 . 8 1 1 A 15 15 GLU H H 15 8.532 8.996 -0.464 1
1 181 . 8 1 1 A 15 15 GLU HA H 15 5.465 5.221 0.244 1
1 186 . 8 1 1 A 15 15 GLU C C 15 175.284 174.787 0.497 1
1 188 . 8 1 1 A 15 15 GLU N N 15 120.437 125.047 -4.610 1
1 189 . 8 1 1 A 16 16 ALA H H 16 9.161 8.474 0.687 1
1 190 . 8 1 1 A 16 16 ALA HA H 16 4.731 4.980 -0.249 1
1 194 . 8 1 1 A 16 16 ALA C C 16 174.936 175.212 -0.276 1
1 195 . 8 1 1 A 16 16 ALA CA C 16 51.278 51.114 0.164 1
1 196 . 8 1 1 A 16 16 ALA CB C 16 22.037 24.079 -2.042 1
1 197 . 8 1 1 A 16 16 ALA N N 16 126.588 121.377 5.211 1
1 198 . 8 1 1 A 17 17 ILE H H 17 8.387 8.891 -0.504 1
1 199 . 8 1 1 A 17 17 ILE HA H 17 5.325 5.162 0.163 1
1 206 . 8 1 1 A 17 17 ILE C C 17 176.066 173.422 2.644 1
1 210 . 8 1 1 A 17 17 ILE N N 17 117.620 119.551 -1.931 1
1 211 . 8 1 1 A 18 18 LYS H H 18 9.152 9.716 -0.564 1
1 212 . 8 1 1 A 18 18 LYS HA H 18 4.385 4.874 -0.489 1
1 221 . 8 1 1 A 18 18 LYS C C 18 173.587 174.716 -1.129 1
1 222 . 8 1 1 A 18 18 LYS CA C 18 55.084 53.965 1.119 1
1 223 . 8 1 1 A 18 18 LYS CB C 18 36.862 36.517 0.345 1
1 227 . 8 1 1 A 18 18 LYS N N 18 125.563 127.102 -1.539 1
1 228 . 8 1 1 A 19 19 GLU H H 19 8.337 8.655 -0.318 1
1 229 . 8 1 1 A 19 19 GLU HA H 19 4.907 5.140 -0.233 1
1 234 . 8 1 1 A 19 19 GLU C C 19 175.687 174.711 0.976 1
1 235 . 8 1 1 A 19 19 GLU CA C 19 55.679 54.763 0.916 1
1 236 . 8 1 1 A 19 19 GLU CB C 19 29.158 31.380 -2.222 1
1 238 . 8 1 1 A 19 19 GLU N N 19 127.836 118.011 9.825 1
1 239 . 8 1 1 A 20 20 LEU H H 20 8.710 8.834 -0.124 1
1 240 . 8 1 1 A 20 20 LEU HA H 20 4.798 4.876 -0.078 1
1 247 . 8 1 1 A 20 20 LEU C C 20 177.829 176.637 1.192 1
1 248 . 8 1 1 A 20 20 LEU CA C 20 53.519 53.028 0.491 1
1 249 . 8 1 1 A 20 20 LEU CB C 20 47.902 44.554 3.348 1
1 252 . 8 1 1 A 20 20 LEU N N 20 127.240 125.722 1.518 1
1 253 . 8 1 1 A 21 21 VAL H H 21 8.236 8.450 -0.214 1
1 254 . 8 1 1 A 21 21 VAL HA H 21 3.947 4.336 -0.389 1
1 259 . 8 1 1 A 21 21 VAL C C 21 175.301 175.691 -0.390 1
1 260 . 8 1 1 A 21 21 VAL CA C 21 64.879 62.311 2.568 1
1 261 . 8 1 1 A 21 21 VAL CB C 21 32.290 33.206 -0.916 1
1 263 . 8 1 1 A 21 21 VAL N N 21 116.513 117.705 -1.192 1
1 264 . 8 1 1 A 22 22 ASP H H 22 7.071 7.961 -0.890 1
1 265 . 8 1 1 A 22 22 ASP HA H 22 4.028 5.139 -1.111 1
1 268 . 8 1 1 A 22 22 ASP C C 22 172.221 176.317 -4.096 1
1 269 . 8 1 1 A 22 22 ASP CA C 22 52.983 52.241 0.742 1
1 270 . 8 1 1 A 22 22 ASP CB C 22 42.107 43.606 -1.499 1
1 271 . 8 1 1 A 22 22 ASP N N 22 115.040 119.567 -4.527 1
1 272 . 8 1 1 A 23 23 ALA H H 23 8.332 8.827 -0.495 1
1 273 . 8 1 1 A 23 23 ALA HA H 23 4.136 3.710 0.426 1
1 277 . 8 1 1 A 23 23 ALA C C 23 179.560 179.612 -0.052 1
1 278 . 8 1 1 A 23 23 ALA CA C 23 55.215 54.906 0.309 1
1 279 . 8 1 1 A 23 23 ALA CB C 23 17.337 18.105 -0.768 1
1 280 . 8 1 1 A 23 23 ALA N N 23 121.322 122.774 -1.452 1
1 281 . 8 1 1 A 24 24 ALA H H 24 8.168 8.088 0.080 1
1 282 . 8 1 1 A 24 24 ALA HA H 24 4.000 3.983 0.017 1
1 286 . 8 1 1 A 24 24 ALA C C 24 181.170 179.480 1.690 1
1 287 . 8 1 1 A 24 24 ALA CA C 24 54.771 55.206 -0.435 1
1 288 . 8 1 1 A 24 24 ALA CB C 24 17.274 18.865 -1.591 1
1 289 . 8 1 1 A 24 24 ALA N N 24 122.440 120.023 2.417 1
1 290 . 8 1 1 A 25 25 THR H H 25 8.444 8.048 0.396 1
1 291 . 8 1 1 A 25 25 THR HA H 25 3.924 3.860 0.064 1
1 296 . 8 1 1 A 25 25 THR C C 25 176.695 176.195 0.500 1
1 297 . 8 1 1 A 25 25 THR CA C 25 66.636 66.163 0.473 1
1 298 . 8 1 1 A 25 25 THR CB C 25 68.177 68.462 -0.285 1
1 300 . 8 1 1 A 25 25 THR N N 25 117.219 113.445 3.774 1
1 301 . 8 1 1 A 26 26 ALA H H 26 7.755 7.915 -0.160 1
1 302 . 8 1 1 A 26 26 ALA HA H 26 3.427 3.591 -0.164 1
1 306 . 8 1 1 A 26 26 ALA C C 26 176.844 178.951 -2.107 1
1 307 . 8 1 1 A 26 26 ALA CA C 26 55.025 55.298 -0.273 1
1 308 . 8 1 1 A 26 26 ALA CB C 26 17.772 17.451 0.321 1
1 309 . 8 1 1 A 26 26 ALA N N 26 125.147 123.043 2.104 1
1 310 . 8 1 1 A 27 27 GLU H H 27 8.412 9.026 -0.614 1
1 311 . 8 1 1 A 27 27 GLU HA H 27 2.758 3.520 -0.762 1
1 316 . 8 1 1 A 27 27 GLU C C 27 177.417 178.697 -1.280 1
1 317 . 8 1 1 A 27 27 GLU CA C 27 59.932 59.116 0.816 1
1 318 . 8 1 1 A 27 27 GLU CB C 27 28.943 29.056 -0.113 1
1 320 . 8 1 1 A 27 27 GLU N N 27 119.203 118.460 0.743 1
1 321 . 8 1 1 A 28 28 LYS H H 28 7.013 7.649 -0.636 1
1 322 . 8 1 1 A 28 28 LYS HA H 28 3.626 3.978 -0.352 1
1 329 . 8 1 1 A 28 28 LYS C C 28 178.802 178.403 0.399 1
1 330 . 8 1 1 A 28 28 LYS CA C 28 59.572 58.899 0.673 1
1 331 . 8 1 1 A 28 28 LYS CB C 28 32.290 32.279 0.011 1
1 335 . 8 1 1 A 28 28 LYS N N 28 116.415 119.249 -2.834 1
1 336 . 8 1 1 A 29 29 TYR H H 29 7.815 8.309 -0.494 1
1 337 . 8 1 1 A 29 29 TYR HA H 29 3.841 4.211 -0.370 1
1 344 . 8 1 1 A 29 29 TYR C C 29 178.466 177.503 0.963 1
1 345 . 8 1 1 A 29 29 TYR CA C 29 61.703 61.513 0.190 1
1 346 . 8 1 1 A 29 29 TYR CB C 29 38.193 38.721 -0.528 1
1 351 . 8 1 1 A 29 29 TYR N N 29 119.360 120.840 -1.480 1
1 352 . 8 1 1 A 30 30 PHE H H 30 8.979 9.062 -0.083 1
1 353 . 8 1 1 A 30 30 PHE HA H 30 4.451 4.393 0.058 1
1 360 . 8 1 1 A 30 30 PHE C C 30 178.342 177.981 0.361 1
1 361 . 8 1 1 A 30 30 PHE CA C 30 59.395 61.858 -2.463 1
1 362 . 8 1 1 A 30 30 PHE CB C 30 37.451 38.587 -1.136 1
1 367 . 8 1 1 A 30 30 PHE N N 30 119.088 118.247 0.841 1
1 368 . 8 1 1 A 31 31 LYS H H 31 8.464 8.078 0.386 1
1 369 . 8 1 1 A 31 31 LYS HA H 31 3.983 4.352 -0.369 1
1 376 . 8 1 1 A 31 31 LYS C C 31 179.506 179.249 0.257 1
1 377 . 8 1 1 A 31 31 LYS CA C 31 60.031 59.656 0.375 1
1 378 . 8 1 1 A 31 31 LYS CB C 31 31.236 32.161 -0.925 1
1 381 . 8 1 1 A 31 31 LYS N N 31 122.220 120.103 2.117 1
1 382 . 8 1 1 A 32 32 LEU H H 32 7.314 8.012 -0.698 1
1 383 . 8 1 1 A 32 32 LEU HA H 32 3.990 4.020 -0.030 1
1 390 . 8 1 1 A 32 32 LEU C C 32 179.565 178.993 0.572 1
1 391 . 8 1 1 A 32 32 LEU CA C 32 58.069 57.606 0.463 1
1 392 . 8 1 1 A 32 32 LEU CB C 32 41.329 41.206 0.123 1
1 395 . 8 1 1 A 32 32 LEU N N 32 120.642 119.103 1.539 1
1 396 . 8 1 1 A 33 33 TYR H H 33 8.018 8.141 -0.123 1
1 397 . 8 1 1 A 33 33 TYR HA H 33 3.999 4.129 -0.130 1
1 405 . 8 1 1 A 33 33 TYR C C 33 177.598 177.833 -0.235 1
1 406 . 8 1 1 A 33 33 TYR CA C 33 61.107 61.548 -0.441 1
1 407 . 8 1 1 A 33 33 TYR CB C 33 39.081 39.241 -0.160 1
1 412 . 8 1 1 A 33 33 TYR N N 33 122.222 119.464 2.758 1
1 413 . 8 1 1 A 34 34 ALA H H 34 8.794 8.677 0.117 1
1 414 . 8 1 1 A 34 34 ALA HA H 34 3.783 4.194 -0.411 1
1 418 . 8 1 1 A 34 34 ALA C C 34 179.307 179.240 0.067 1
1 419 . 8 1 1 A 34 34 ALA CA C 34 54.459 54.953 -0.494 1
1 420 . 8 1 1 A 34 34 ALA CB C 34 18.376 18.279 0.097 1
1 421 . 8 1 1 A 34 34 ALA N N 34 119.675 121.630 -1.955 1
1 422 . 8 1 1 A 35 35 ASN H H 35 8.156 7.641 0.515 1
1 423 . 8 1 1 A 35 35 ASN HA H 35 4.489 4.619 -0.130 1
1 426 . 8 1 1 A 35 35 ASN C C 35 177.869 177.319 0.550 1
1 427 . 8 1 1 A 35 35 ASN CA C 35 56.410 55.413 0.997 1
1 428 . 8 1 1 A 35 35 ASN CB C 35 38.339 38.931 -0.592 1
1 429 . 8 1 1 A 35 35 ASN N N 35 117.882 116.206 1.676 1
1 430 . 8 1 1 A 36 36 ALA H H 36 7.804 7.486 0.318 1
1 431 . 8 1 1 A 36 36 ALA HA H 36 4.087 4.242 -0.155 1
1 435 . 8 1 1 A 36 36 ALA C C 36 178.579 179.234 -0.655 1
1 436 . 8 1 1 A 36 36 ALA CA C 36 53.893 54.690 -0.797 1
1 437 . 8 1 1 A 36 36 ALA CB C 36 17.782 19.363 -1.581 1
1 438 . 8 1 1 A 36 36 ALA N N 36 121.244 122.364 -1.120 1
1 439 . 8 1 1 A 37 37 LYS H H 37 7.380 7.821 -0.441 1
1 440 . 8 1 1 A 37 37 LYS HA H 37 4.164 3.907 0.257 1
1 447 . 8 1 1 A 37 37 LYS C C 37 175.831 176.512 -0.681 1
1 448 . 8 1 1 A 37 37 LYS CA C 37 56.020 59.131 -3.111 1
1 449 . 8 1 1 A 37 37 LYS CB C 37 32.876 31.807 1.069 1
1 453 . 8 1 1 A 37 37 LYS N N 37 116.585 116.853 -0.268 1
1 454 . 8 1 1 A 38 38 THR H H 38 7.891 7.669 0.222 1
1 455 . 8 1 1 A 38 38 THR HA H 38 4.144 4.658 -0.514 1
1 460 . 8 1 1 A 38 38 THR C C 38 172.820 173.475 -0.655 1
1 461 . 8 1 1 A 38 38 THR CA C 38 61.719 60.514 1.205 1
1 462 . 8 1 1 A 38 38 THR CB C 38 68.688 71.680 -2.992 1
1 464 . 8 1 1 A 38 38 THR N N 38 113.375 109.206 4.169 1
1 465 . 8 1 1 A 39 39 VAL H H 39 7.939 8.433 -0.494 1
1 466 . 8 1 1 A 39 39 VAL HA H 39 4.148 4.926 -0.778 1
1 471 . 8 1 1 A 39 39 VAL C C 39 174.525 174.595 -0.070 1
1 472 . 8 1 1 A 39 39 VAL CA C 39 62.125 59.722 2.403 1
1 473 . 8 1 1 A 39 39 VAL CB C 39 32.720 34.244 -1.524 1
1 475 . 8 1 1 A 39 39 VAL N N 39 120.564 114.738 5.826 1
1 476 . 8 1 1 A 40 40 GLU H H 40 8.586 8.965 -0.379 1
1 477 . 8 1 1 A 40 40 GLU HA H 40 4.533 5.048 -0.515 1
1 482 . 8 1 1 A 40 40 GLU C C 40 175.158 174.692 0.466 1
1 483 . 8 1 1 A 40 40 GLU CA C 40 55.211 54.625 0.586 1
1 484 . 8 1 1 A 40 40 GLU CB C 40 31.130 32.419 -1.289 1
1 486 . 8 1 1 A 40 40 GLU N N 40 126.113 119.497 6.616 1
1 487 . 8 1 1 A 41 41 GLY H H 41 8.042 8.561 -0.519 1
1 488 . 8 1 1 A 41 41 GLY HA2 H 41 4.059 4.052 0.007 1
1 489 . 8 1 1 A 41 41 GLY HA3 H 41 3.533 4.113 -0.580 1
1 490 . 8 1 1 A 41 41 GLY C C 41 174.994 173.133 1.861 1
1 491 . 8 1 1 A 41 41 GLY CA C 41 45.300 44.916 0.384 1
1 492 . 8 1 1 A 41 41 GLY N N 41 107.727 109.944 -2.217 1
1 493 . 8 1 1 A 42 42 VAL H H 42 8.349 8.070 0.279 1
1 494 . 8 1 1 A 42 42 VAL HA H 42 4.303 4.258 0.045 1
1 499 . 8 1 1 A 42 42 VAL C C 42 176.649 175.667 0.982 1
1 500 . 8 1 1 A 42 42 VAL CA C 42 62.243 63.296 -1.053 1
1 501 . 8 1 1 A 42 42 VAL CB C 42 33.763 31.506 2.257 1
1 503 . 8 1 1 A 42 42 VAL N N 42 121.379 121.887 -0.508 1
1 504 . 8 1 1 A 43 43 TRP H H 43 9.250 9.225 0.025 1
1 505 . 8 1 1 A 43 43 TRP HA H 43 5.104 5.334 -0.230 1
1 514 . 8 1 1 A 43 43 TRP C C 43 177.089 176.223 0.866 1
1 515 . 8 1 1 A 43 43 TRP CA C 43 57.991 56.876 1.115 1
1 516 . 8 1 1 A 43 43 TRP CB C 43 29.904 31.595 -1.691 1
1 521 . 8 1 1 A 43 43 TRP N N 43 130.568 129.077 1.491 1
1 523 . 8 1 1 A 44 44 THR H H 44 9.219 9.351 -0.132 1
1 524 . 8 1 1 A 44 44 THR HA H 44 4.694 4.983 -0.289 1
1 529 . 8 1 1 A 44 44 THR C C 44 172.706 172.511 0.195 1
1 530 . 8 1 1 A 44 44 THR CA C 44 60.957 61.751 -0.794 1
1 531 . 8 1 1 A 44 44 THR CB C 44 72.616 71.420 1.196 1
1 533 . 8 1 1 A 44 44 THR N N 44 114.918 116.563 -1.645 1
1 534 . 8 1 1 A 45 45 TYR H H 45 8.553 9.209 -0.656 1
1 535 . 8 1 1 A 45 45 TYR HA H 45 5.002 4.884 0.118 1
1 540 . 8 1 1 A 45 45 TYR C C 45 173.745 174.257 -0.512 1
1 541 . 8 1 1 A 45 45 TYR CA C 45 57.249 58.039 -0.790 1
1 542 . 8 1 1 A 45 45 TYR CB C 45 41.719 39.954 1.765 1
1 545 . 8 1 1 A 45 45 TYR N N 45 121.490 128.723 -7.233 1
1 546 . 8 1 1 A 46 46 LYS H H 46 7.348 8.616 -1.268 1
1 547 . 8 1 1 A 46 46 LYS HA H 46 4.222 4.593 -0.371 1
1 554 . 8 1 1 A 46 46 LYS C C 46 175.715 175.137 0.578 1
1 555 . 8 1 1 A 46 46 LYS CA C 46 53.576 54.658 -1.082 1
1 556 . 8 1 1 A 46 46 LYS CB C 46 33.582 34.430 -0.848 1
1 560 . 8 1 1 A 46 46 LYS N N 46 129.620 126.951 2.669 1
1 561 . 8 1 1 A 47 47 ASP H H 47 8.578 8.621 -0.043 1
1 562 . 8 1 1 A 47 47 ASP HA H 47 4.126 4.517 -0.391 1
1 565 . 8 1 1 A 47 47 ASP C C 47 179.207 176.301 2.906 1
1 566 . 8 1 1 A 47 47 ASP CA C 47 57.191 53.667 3.524 1
1 567 . 8 1 1 A 47 47 ASP CB C 47 41.969 41.278 0.691 1
1 568 . 8 1 1 A 47 47 ASP N N 47 125.757 126.314 -0.557 1
1 569 . 8 1 1 A 48 48 GLU H H 48 9.445 8.067 1.378 1
1 570 . 8 1 1 A 48 48 GLU HA H 48 3.918 4.290 -0.372 1
1 575 . 8 1 1 A 48 48 GLU C C 48 177.578 177.076 0.502 1
1 576 . 8 1 1 A 48 48 GLU CA C 48 60.066 57.676 2.390 1
1 577 . 8 1 1 A 48 48 GLU CB C 48 29.343 30.875 -1.532 1
1 579 . 8 1 1 A 48 48 GLU N N 48 117.612 119.337 -1.725 1
1 580 . 8 1 1 A 49 49 THR H H 49 6.624 7.529 -0.905 1
1 581 . 8 1 1 A 49 49 THR HA H 49 4.414 4.495 -0.081 1
1 586 . 8 1 1 A 49 49 THR C C 49 175.232 173.790 1.442 1
1 587 . 8 1 1 A 49 49 THR CA C 49 59.873 60.780 -0.907 1
1 588 . 8 1 1 A 49 49 THR CB C 49 69.188 69.513 -0.325 1
1 590 . 8 1 1 A 49 49 THR N N 49 103.078 107.132 -4.054 1
1 591 . 8 1 1 A 50 50 LYS H H 50 7.828 7.865 -0.037 1
1 592 . 8 1 1 A 50 50 LYS HA H 50 4.139 3.980 0.159 1
1 597 . 8 1 1 A 50 50 LYS C C 50 174.786 175.062 -0.276 1
1 598 . 8 1 1 A 50 50 LYS CA C 50 55.981 56.840 -0.859 1
1 599 . 8 1 1 A 50 50 LYS CB C 50 29.258 30.271 -1.013 1
1 602 . 8 1 1 A 50 50 LYS N N 50 123.628 115.496 8.132 1
1 603 . 8 1 1 A 51 51 THR H H 51 7.216 7.654 -0.438 1
1 604 . 8 1 1 A 51 51 THR HA H 51 5.433 5.381 0.052 1
1 609 . 8 1 1 A 51 51 THR C C 51 174.574 173.523 1.051 1
1 610 . 8 1 1 A 51 51 THR CA C 51 62.224 61.522 0.702 1
1 611 . 8 1 1 A 51 51 THR CB C 51 72.346 72.046 0.300 1
1 613 . 8 1 1 A 51 51 THR N N 51 110.763 113.785 -3.022 1
1 614 . 8 1 1 A 52 52 PHE H H 52 10.222 9.626 0.596 1
1 615 . 8 1 1 A 52 52 PHE HA H 52 5.447 5.551 -0.104 1
1 622 . 8 1 1 A 52 52 PHE C C 52 174.401 175.029 -0.628 1
1 623 . 8 1 1 A 52 52 PHE CA C 52 57.269 56.913 0.356 1
1 624 . 8 1 1 A 52 52 PHE CB C 52 42.143 41.386 0.757 1
1 629 . 8 1 1 A 52 52 PHE N N 52 130.993 125.789 5.204 1
1 630 . 8 1 1 A 53 53 THR H H 53 9.099 9.473 -0.374 1
1 631 . 8 1 1 A 53 53 THR HA H 53 5.108 5.008 0.100 1
1 636 . 8 1 1 A 53 53 THR C C 53 172.565 172.765 -0.200 1
1 637 . 8 1 1 A 53 53 THR CA C 53 61.737 61.517 0.220 1
1 638 . 8 1 1 A 53 53 THR CB C 53 70.663 70.533 0.130 1
1 640 . 8 1 1 A 53 53 THR N N 53 117.968 118.408 -0.440 1
1 641 . 8 1 1 A 54 54 VAL H H 54 8.496 8.678 -0.182 1
1 642 . 8 1 1 A 54 54 VAL HA H 54 4.410 4.971 -0.561 1
1 650 . 8 1 1 A 54 54 VAL C C 54 173.790 173.357 0.433 1
1 651 . 8 1 1 A 54 54 VAL CA C 54 59.103 59.776 -0.673 1
1 652 . 8 1 1 A 54 54 VAL CB C 54 32.651 34.914 -2.263 1
1 655 . 8 1 1 A 54 54 VAL N N 54 125.071 125.692 -0.621 1
1 656 . 8 1 1 A 55 55 THR H H 55 8.265 8.373 -0.108 1
1 657 . 8 1 1 A 55 55 THR HA H 55 4.792 4.717 0.075 1
1 662 . 8 1 1 A 55 55 THR C C 55 173.789 171.828 1.961 1
1 663 . 8 1 1 A 55 55 THR CA C 55 61.035 60.077 0.958 1
1 664 . 8 1 1 A 55 55 THR CB C 55 71.261 70.510 0.751 1
1 666 . 8 1 1 A 55 55 THR N N 55 122.202 120.628 1.574 1
1 10 . 9 1 1 A 2 2 THR H H 2 8.719 8.516 0.203 1
1 11 . 9 1 1 A 2 2 THR HA H 2 4.251 4.448 -0.197 1
1 16 . 9 1 1 A 2 2 THR C C 2 172.951 172.823 0.128 1
1 17 . 9 1 1 A 2 2 THR CA C 2 63.748 62.227 1.521 1
1 18 . 9 1 1 A 2 2 THR CB C 2 68.568 69.251 -0.683 1
1 20 . 9 1 1 A 2 2 THR N N 2 123.894 119.178 4.716 1
1 21 . 9 1 1 A 3 3 TYR H H 3 8.841 9.299 -0.458 1
1 22 . 9 1 1 A 3 3 TYR HA H 3 5.289 5.284 0.005 1
1 29 . 9 1 1 A 3 3 TYR C C 3 173.975 175.290 -1.315 1
1 30 . 9 1 1 A 3 3 TYR CA C 3 57.850 56.526 1.324 1
1 31 . 9 1 1 A 3 3 TYR CB C 3 43.043 41.142 1.901 1
1 36 . 9 1 1 A 3 3 TYR N N 3 127.370 128.295 -0.925 1
1 37 . 9 1 1 A 4 4 LYS H H 4 8.791 8.720 0.071 1
1 38 . 9 1 1 A 4 4 LYS HA H 4 5.344 5.493 -0.149 1
1 43 . 9 1 1 A 4 4 LYS C C 4 173.055 175.538 -2.483 1
1 44 . 9 1 1 A 4 4 LYS CA C 4 54.537 55.049 -0.512 1
1 45 . 9 1 1 A 4 4 LYS CB C 4 35.881 35.635 0.246 1
1 48 . 9 1 1 A 4 4 LYS N N 4 121.038 122.627 -1.589 1
1 49 . 9 1 1 A 5 5 LEU H H 5 9.005 8.677 0.328 1
1 50 . 9 1 1 A 5 5 LEU HA H 5 4.889 5.196 -0.307 1
1 60 . 9 1 1 A 5 5 LEU C C 5 174.789 174.835 -0.046 1
1 61 . 9 1 1 A 5 5 LEU CA C 5 52.566 53.688 -1.122 1
1 62 . 9 1 1 A 5 5 LEU CB C 5 44.174 45.115 -0.941 1
1 65 . 9 1 1 A 5 5 LEU N N 5 126.547 123.700 2.847 1
1 66 . 9 1 1 A 6 6 ILE H H 6 9.104 8.612 0.492 1
1 67 . 9 1 1 A 6 6 ILE HA H 6 4.970 4.886 0.084 1
1 71 . 9 1 1 A 6 6 ILE C C 6 174.690 173.963 0.727 1
1 72 . 9 1 1 A 6 6 ILE CA C 6 60.313 59.160 1.153 1
1 73 . 9 1 1 A 6 6 ILE CB C 6 38.652 40.939 -2.287 1
1 76 . 9 1 1 A 6 6 ILE N N 6 126.502 121.921 4.581 1
1 77 . 9 1 1 A 7 7 LEU H H 7 8.907 9.508 -0.601 1
1 78 . 9 1 1 A 7 7 LEU HA H 7 4.452 5.609 -1.157 1
1 88 . 9 1 1 A 7 7 LEU C C 7 174.573 175.439 -0.866 1
1 89 . 9 1 1 A 7 7 LEU CA C 7 54.010 53.136 0.874 1
1 90 . 9 1 1 A 7 7 LEU CB C 7 41.072 43.662 -2.590 1
1 93 . 9 1 1 A 7 7 LEU N N 7 126.037 128.224 -2.187 1
1 94 . 9 1 1 A 8 8 ASN H H 8 8.941 8.504 0.437 1
1 95 . 9 1 1 A 8 8 ASN HA H 8 4.943 5.238 -0.295 1
1 100 . 9 1 1 A 8 8 ASN C C 8 174.323 174.403 -0.080 1
1 101 . 9 1 1 A 8 8 ASN CA C 8 51.785 52.243 -0.458 1
1 102 . 9 1 1 A 8 8 ASN CB C 8 38.008 39.172 -1.164 1
1 103 . 9 1 1 A 8 8 ASN N N 8 125.436 123.172 2.264 1
1 105 . 9 1 1 A 9 9 LEU H H 9 7.636 8.475 -0.839 1
1 106 . 9 1 1 A 9 9 LEU HA H 9 4.548 4.676 -0.128 1
1 113 . 9 1 1 A 9 9 LEU C C 9 177.230 177.991 -0.761 1
1 114 . 9 1 1 A 9 9 LEU CA C 9 53.502 53.601 -0.099 1
1 115 . 9 1 1 A 9 9 LEU CB C 9 41.569 42.849 -1.280 1
1 118 . 9 1 1 A 9 9 LEU N N 9 121.638 126.229 -4.591 1
1 119 . 9 1 1 A 10 10 LYS H H 10 9.138 8.698 0.440 1
1 120 . 9 1 1 A 10 10 LYS HA H 10 3.964 4.120 -0.156 1
1 127 . 9 1 1 A 10 10 LYS C C 10 179.119 177.408 1.711 1
1 128 . 9 1 1 A 10 10 LYS CA C 10 59.786 58.455 1.331 1
1 129 . 9 1 1 A 10 10 LYS CB C 10 31.825 32.555 -0.730 1
1 133 . 9 1 1 A 10 10 LYS N N 10 120.948 122.093 -1.145 1
1 134 . 9 1 1 A 11 11 GLN H H 11 8.432 7.733 0.699 1
1 135 . 9 1 1 A 11 11 GLN HA H 11 4.325 4.366 -0.041 1
1 140 . 9 1 1 A 11 11 GLN C C 11 175.294 176.040 -0.746 1
1 141 . 9 1 1 A 11 11 GLN CA C 11 55.903 57.213 -1.310 1
1 142 . 9 1 1 A 11 11 GLN CB C 11 29.207 30.407 -1.200 1
1 144 . 9 1 1 A 11 11 GLN N N 11 113.252 116.644 -3.392 1
1 145 . 9 1 1 A 12 12 ALA H H 12 7.079 7.663 -0.584 1
1 146 . 9 1 1 A 12 12 ALA HA H 12 4.318 4.584 -0.266 1
1 150 . 9 1 1 A 12 12 ALA C C 12 174.190 175.037 -0.847 1
1 151 . 9 1 1 A 12 12 ALA CA C 12 52.507 51.197 1.310 1
1 152 . 9 1 1 A 12 12 ALA CB C 12 21.479 23.099 -1.620 1
1 153 . 9 1 1 A 12 12 ALA N N 12 120.435 118.820 1.615 1
1 154 . 9 1 1 A 13 13 LYS H H 13 8.156 8.420 -0.264 1
1 155 . 9 1 1 A 13 13 LYS HA H 13 5.197 5.000 0.197 1
1 162 . 9 1 1 A 13 13 LYS C C 13 176.127 175.521 0.606 1
1 163 . 9 1 1 A 13 13 LYS CA C 13 55.036 54.492 0.544 1
1 164 . 9 1 1 A 13 13 LYS CB C 13 33.890 34.584 -0.694 1
1 168 . 9 1 1 A 13 13 LYS N N 13 120.644 117.269 3.375 1
1 169 . 9 1 1 A 14 14 GLU H H 14 8.545 8.675 -0.130 1
1 170 . 9 1 1 A 14 14 GLU HA H 14 4.629 5.116 -0.487 1
1 175 . 9 1 1 A 14 14 GLU C C 14 173.875 175.930 -2.055 1
1 176 . 9 1 1 A 14 14 GLU CA C 14 54.680 55.067 -0.387 1
1 177 . 9 1 1 A 14 14 GLU CB C 14 34.319 31.510 2.809 1
1 179 . 9 1 1 A 14 14 GLU N N 14 123.133 124.164 -1.031 1
1 180 . 9 1 1 A 15 15 GLU H H 15 8.532 8.961 -0.429 1
1 181 . 9 1 1 A 15 15 GLU HA H 15 5.465 5.240 0.225 1
1 186 . 9 1 1 A 15 15 GLU C C 15 175.284 175.068 0.216 1
1 188 . 9 1 1 A 15 15 GLU N N 15 120.437 123.520 -3.083 1
1 189 . 9 1 1 A 16 16 ALA H H 16 9.161 8.716 0.445 1
1 190 . 9 1 1 A 16 16 ALA HA H 16 4.731 4.887 -0.156 1
1 194 . 9 1 1 A 16 16 ALA C C 16 174.936 175.028 -0.092 1
1 195 . 9 1 1 A 16 16 ALA CA C 16 51.278 51.270 0.008 1
1 196 . 9 1 1 A 16 16 ALA CB C 16 22.037 23.771 -1.734 1
1 197 . 9 1 1 A 16 16 ALA N N 16 126.588 122.682 3.906 1
1 198 . 9 1 1 A 17 17 ILE H H 17 8.387 8.423 -0.036 1
1 199 . 9 1 1 A 17 17 ILE HA H 17 5.325 4.977 0.348 1
1 206 . 9 1 1 A 17 17 ILE C C 17 176.066 174.805 1.261 1
1 210 . 9 1 1 A 17 17 ILE N N 17 117.620 118.317 -0.697 1
1 211 . 9 1 1 A 18 18 LYS H H 18 9.152 9.665 -0.513 1
1 212 . 9 1 1 A 18 18 LYS HA H 18 4.385 4.869 -0.484 1
1 221 . 9 1 1 A 18 18 LYS C C 18 173.587 174.605 -1.018 1
1 222 . 9 1 1 A 18 18 LYS CA C 18 55.084 54.000 1.084 1
1 223 . 9 1 1 A 18 18 LYS CB C 18 36.862 36.273 0.589 1
1 227 . 9 1 1 A 18 18 LYS N N 18 125.563 125.538 0.025 1
1 228 . 9 1 1 A 19 19 GLU H H 19 8.337 8.531 -0.194 1
1 229 . 9 1 1 A 19 19 GLU HA H 19 4.907 5.198 -0.291 1
1 234 . 9 1 1 A 19 19 GLU C C 19 175.687 175.271 0.416 1
1 235 . 9 1 1 A 19 19 GLU CA C 19 55.679 54.848 0.831 1
1 236 . 9 1 1 A 19 19 GLU CB C 19 29.158 32.408 -3.250 1
1 238 . 9 1 1 A 19 19 GLU N N 19 127.836 121.935 5.901 1
1 239 . 9 1 1 A 20 20 LEU H H 20 8.710 8.802 -0.092 1
1 240 . 9 1 1 A 20 20 LEU HA H 20 4.798 4.835 -0.037 1
1 247 . 9 1 1 A 20 20 LEU C C 20 177.829 176.282 1.547 1
1 248 . 9 1 1 A 20 20 LEU CA C 20 53.519 53.165 0.354 1
1 249 . 9 1 1 A 20 20 LEU CB C 20 47.902 45.076 2.826 1
1 252 . 9 1 1 A 20 20 LEU N N 20 127.240 126.462 0.778 1
1 253 . 9 1 1 A 21 21 VAL H H 21 8.236 8.322 -0.086 1
1 254 . 9 1 1 A 21 21 VAL HA H 21 3.947 4.180 -0.233 1
1 259 . 9 1 1 A 21 21 VAL C C 21 175.301 175.251 0.050 1
1 260 . 9 1 1 A 21 21 VAL CA C 21 64.879 63.469 1.410 1
1 261 . 9 1 1 A 21 21 VAL CB C 21 32.290 33.357 -1.067 1
1 263 . 9 1 1 A 21 21 VAL N N 21 116.513 118.947 -2.434 1
1 264 . 9 1 1 A 22 22 ASP H H 22 7.071 7.826 -0.755 1
1 265 . 9 1 1 A 22 22 ASP HA H 22 4.028 5.107 -1.079 1
1 268 . 9 1 1 A 22 22 ASP C C 22 172.221 175.296 -3.075 1
1 269 . 9 1 1 A 22 22 ASP CA C 22 52.983 53.010 -0.027 1
1 270 . 9 1 1 A 22 22 ASP CB C 22 42.107 44.045 -1.938 1
1 271 . 9 1 1 A 22 22 ASP N N 22 115.040 117.665 -2.625 1
1 272 . 9 1 1 A 23 23 ALA H H 23 8.332 8.861 -0.529 1
1 273 . 9 1 1 A 23 23 ALA HA H 23 4.136 3.716 0.420 1
1 277 . 9 1 1 A 23 23 ALA C C 23 179.560 179.446 0.114 1
1 278 . 9 1 1 A 23 23 ALA CA C 23 55.215 54.837 0.378 1
1 279 . 9 1 1 A 23 23 ALA CB C 23 17.337 18.527 -1.190 1
1 280 . 9 1 1 A 23 23 ALA N N 23 121.322 122.849 -1.527 1
1 281 . 9 1 1 A 24 24 ALA H H 24 8.168 8.101 0.067 1
1 282 . 9 1 1 A 24 24 ALA HA H 24 4.000 3.979 0.021 1
1 286 . 9 1 1 A 24 24 ALA C C 24 181.170 179.359 1.811 1
1 287 . 9 1 1 A 24 24 ALA CA C 24 54.771 55.026 -0.255 1
1 288 . 9 1 1 A 24 24 ALA CB C 24 17.274 18.840 -1.566 1
1 289 . 9 1 1 A 24 24 ALA N N 24 122.440 120.152 2.288 1
1 290 . 9 1 1 A 25 25 THR H H 25 8.444 7.963 0.481 1
1 291 . 9 1 1 A 25 25 THR HA H 25 3.924 3.870 0.054 1
1 296 . 9 1 1 A 25 25 THR C C 25 176.695 176.240 0.455 1
1 297 . 9 1 1 A 25 25 THR CA C 25 66.636 66.167 0.469 1
1 298 . 9 1 1 A 25 25 THR CB C 25 68.177 68.635 -0.458 1
1 300 . 9 1 1 A 25 25 THR N N 25 117.219 113.432 3.787 1
1 301 . 9 1 1 A 26 26 ALA H H 26 7.755 7.787 -0.032 1
1 302 . 9 1 1 A 26 26 ALA HA H 26 3.427 3.617 -0.190 1
1 306 . 9 1 1 A 26 26 ALA C C 26 176.844 179.030 -2.186 1
1 307 . 9 1 1 A 26 26 ALA CA C 26 55.025 55.345 -0.320 1
1 308 . 9 1 1 A 26 26 ALA CB C 26 17.772 17.465 0.307 1
1 309 . 9 1 1 A 26 26 ALA N N 26 125.147 123.005 2.142 1
1 310 . 9 1 1 A 27 27 GLU H H 27 8.412 9.151 -0.739 1
1 311 . 9 1 1 A 27 27 GLU HA H 27 2.758 3.612 -0.854 1
1 316 . 9 1 1 A 27 27 GLU C C 27 177.417 178.590 -1.173 1
1 317 . 9 1 1 A 27 27 GLU CA C 27 59.932 59.171 0.761 1
1 318 . 9 1 1 A 27 27 GLU CB C 27 28.943 29.000 -0.057 1
1 320 . 9 1 1 A 27 27 GLU N N 27 119.203 118.493 0.710 1
1 321 . 9 1 1 A 28 28 LYS H H 28 7.013 7.582 -0.569 1
1 322 . 9 1 1 A 28 28 LYS HA H 28 3.626 3.992 -0.366 1
1 329 . 9 1 1 A 28 28 LYS C C 28 178.802 178.415 0.387 1
1 330 . 9 1 1 A 28 28 LYS CA C 28 59.572 59.152 0.420 1
1 331 . 9 1 1 A 28 28 LYS CB C 28 32.290 32.132 0.158 1
1 335 . 9 1 1 A 28 28 LYS N N 28 116.415 119.251 -2.836 1
1 336 . 9 1 1 A 29 29 TYR H H 29 7.815 8.249 -0.434 1
1 337 . 9 1 1 A 29 29 TYR HA H 29 3.841 4.218 -0.377 1
1 344 . 9 1 1 A 29 29 TYR C C 29 178.466 177.500 0.966 1
1 345 . 9 1 1 A 29 29 TYR CA C 29 61.703 61.526 0.177 1
1 346 . 9 1 1 A 29 29 TYR CB C 29 38.193 38.708 -0.515 1
1 351 . 9 1 1 A 29 29 TYR N N 29 119.360 120.714 -1.354 1
1 352 . 9 1 1 A 30 30 PHE H H 30 8.979 9.019 -0.040 1
1 353 . 9 1 1 A 30 30 PHE HA H 30 4.451 4.410 0.041 1
1 360 . 9 1 1 A 30 30 PHE C C 30 178.342 177.977 0.365 1
1 361 . 9 1 1 A 30 30 PHE CA C 30 59.395 61.865 -2.470 1
1 362 . 9 1 1 A 30 30 PHE CB C 30 37.451 38.591 -1.140 1
1 367 . 9 1 1 A 30 30 PHE N N 30 119.088 118.100 0.988 1
1 368 . 9 1 1 A 31 31 LYS H H 31 8.464 8.160 0.304 1
1 369 . 9 1 1 A 31 31 LYS HA H 31 3.983 4.333 -0.350 1
1 376 . 9 1 1 A 31 31 LYS C C 31 179.506 179.311 0.195 1
1 377 . 9 1 1 A 31 31 LYS CA C 31 60.031 59.837 0.194 1
1 378 . 9 1 1 A 31 31 LYS CB C 31 31.236 32.157 -0.921 1
1 381 . 9 1 1 A 31 31 LYS N N 31 122.220 120.108 2.112 1
1 382 . 9 1 1 A 32 32 LEU H H 32 7.314 7.943 -0.629 1
1 383 . 9 1 1 A 32 32 LEU HA H 32 3.990 3.990 0.000 1
1 390 . 9 1 1 A 32 32 LEU C C 32 179.565 178.893 0.672 1
1 391 . 9 1 1 A 32 32 LEU CA C 32 58.069 57.633 0.436 1
1 392 . 9 1 1 A 32 32 LEU CB C 32 41.329 40.994 0.335 1
1 395 . 9 1 1 A 32 32 LEU N N 32 120.642 119.281 1.361 1
1 396 . 9 1 1 A 33 33 TYR H H 33 8.018 8.179 -0.161 1
1 397 . 9 1 1 A 33 33 TYR HA H 33 3.999 4.136 -0.137 1
1 405 . 9 1 1 A 33 33 TYR C C 33 177.598 177.782 -0.184 1
1 406 . 9 1 1 A 33 33 TYR CA C 33 61.107 61.573 -0.466 1
1 407 . 9 1 1 A 33 33 TYR CB C 33 39.081 39.209 -0.128 1
1 412 . 9 1 1 A 33 33 TYR N N 33 122.222 119.425 2.797 1
1 413 . 9 1 1 A 34 34 ALA H H 34 8.794 8.608 0.186 1
1 414 . 9 1 1 A 34 34 ALA HA H 34 3.783 4.134 -0.351 1
1 418 . 9 1 1 A 34 34 ALA C C 34 179.307 180.405 -1.098 1
1 419 . 9 1 1 A 34 34 ALA CA C 34 54.459 55.252 -0.793 1
1 420 . 9 1 1 A 34 34 ALA CB C 34 18.376 18.408 -0.032 1
1 421 . 9 1 1 A 34 34 ALA N N 34 119.675 121.643 -1.968 1
1 422 . 9 1 1 A 35 35 ASN H H 35 8.156 8.023 0.133 1
1 423 . 9 1 1 A 35 35 ASN HA H 35 4.489 4.487 0.002 1
1 426 . 9 1 1 A 35 35 ASN C C 35 177.869 176.809 1.060 1
1 427 . 9 1 1 A 35 35 ASN CA C 35 56.410 55.858 0.552 1
1 428 . 9 1 1 A 35 35 ASN CB C 35 38.339 38.326 0.013 1
1 429 . 9 1 1 A 35 35 ASN N N 35 117.882 117.201 0.681 1
1 430 . 9 1 1 A 36 36 ALA H H 36 7.804 7.464 0.340 1
1 431 . 9 1 1 A 36 36 ALA HA H 36 4.087 4.283 -0.196 1
1 435 . 9 1 1 A 36 36 ALA C C 36 178.579 179.321 -0.742 1
1 436 . 9 1 1 A 36 36 ALA CA C 36 53.893 54.384 -0.491 1
1 437 . 9 1 1 A 36 36 ALA CB C 36 17.782 19.469 -1.687 1
1 438 . 9 1 1 A 36 36 ALA N N 36 121.244 121.249 -0.005 1
1 439 . 9 1 1 A 37 37 LYS H H 37 7.380 8.392 -1.012 1
1 440 . 9 1 1 A 37 37 LYS HA H 37 4.164 3.808 0.356 1
1 447 . 9 1 1 A 37 37 LYS C C 37 175.831 178.425 -2.594 1
1 448 . 9 1 1 A 37 37 LYS CA C 37 56.020 59.274 -3.254 1
1 449 . 9 1 1 A 37 37 LYS CB C 37 32.876 31.645 1.231 1
1 453 . 9 1 1 A 37 37 LYS N N 37 116.585 117.013 -0.428 1
1 454 . 9 1 1 A 38 38 THR H H 38 7.891 7.313 0.578 1
1 455 . 9 1 1 A 38 38 THR HA H 38 4.144 4.481 -0.337 1
1 460 . 9 1 1 A 38 38 THR C C 38 172.820 174.485 -1.665 1
1 461 . 9 1 1 A 38 38 THR CA C 38 61.719 62.050 -0.331 1
1 462 . 9 1 1 A 38 38 THR CB C 38 68.688 69.159 -0.471 1
1 464 . 9 1 1 A 38 38 THR N N 38 113.375 107.553 5.822 1
1 465 . 9 1 1 A 39 39 VAL H H 39 7.939 6.969 0.970 1
1 466 . 9 1 1 A 39 39 VAL HA H 39 4.148 4.394 -0.246 1
1 471 . 9 1 1 A 39 39 VAL C C 39 174.525 173.106 1.419 1
1 472 . 9 1 1 A 39 39 VAL CA C 39 62.125 60.688 1.437 1
1 473 . 9 1 1 A 39 39 VAL CB C 39 32.720 34.257 -1.537 1
1 475 . 9 1 1 A 39 39 VAL N N 39 120.564 119.583 0.981 1
1 476 . 9 1 1 A 40 40 GLU H H 40 8.586 8.708 -0.122 1
1 477 . 9 1 1 A 40 40 GLU HA H 40 4.533 5.112 -0.579 1
1 482 . 9 1 1 A 40 40 GLU C C 40 175.158 175.892 -0.734 1
1 483 . 9 1 1 A 40 40 GLU CA C 40 55.211 55.029 0.182 1
1 484 . 9 1 1 A 40 40 GLU CB C 40 31.130 32.094 -0.964 1
1 486 . 9 1 1 A 40 40 GLU N N 40 126.113 127.289 -1.176 1
1 487 . 9 1 1 A 41 41 GLY H H 41 8.042 8.353 -0.311 1
1 488 . 9 1 1 A 41 41 GLY HA2 H 41 4.059 4.233 -0.174 1
1 489 . 9 1 1 A 41 41 GLY HA3 H 41 3.533 4.302 -0.769 1
1 490 . 9 1 1 A 41 41 GLY C C 41 174.994 172.277 2.717 1
1 491 . 9 1 1 A 41 41 GLY CA C 41 45.300 46.212 -0.912 1
1 492 . 9 1 1 A 41 41 GLY N N 41 107.727 111.803 -4.076 1
1 493 . 9 1 1 A 42 42 VAL H H 42 8.349 8.887 -0.538 1
1 494 . 9 1 1 A 42 42 VAL HA H 42 4.303 4.127 0.176 1
1 499 . 9 1 1 A 42 42 VAL C C 42 176.649 175.221 1.428 1
1 500 . 9 1 1 A 42 42 VAL CA C 42 62.243 62.917 -0.674 1
1 501 . 9 1 1 A 42 42 VAL CB C 42 33.763 32.335 1.428 1
1 503 . 9 1 1 A 42 42 VAL N N 42 121.379 121.927 -0.548 1
1 504 . 9 1 1 A 43 43 TRP H H 43 9.250 9.063 0.187 1
1 505 . 9 1 1 A 43 43 TRP HA H 43 5.104 5.439 -0.335 1
1 514 . 9 1 1 A 43 43 TRP C C 43 177.089 175.244 1.845 1
1 515 . 9 1 1 A 43 43 TRP CA C 43 57.991 55.716 2.275 1
1 516 . 9 1 1 A 43 43 TRP CB C 43 29.904 33.443 -3.539 1
1 521 . 9 1 1 A 43 43 TRP N N 43 130.568 127.378 3.190 1
1 523 . 9 1 1 A 44 44 THR H H 44 9.219 8.708 0.511 1
1 524 . 9 1 1 A 44 44 THR HA H 44 4.694 5.091 -0.397 1
1 529 . 9 1 1 A 44 44 THR C C 44 172.706 172.368 0.338 1
1 530 . 9 1 1 A 44 44 THR CA C 44 60.957 61.382 -0.425 1
1 531 . 9 1 1 A 44 44 THR CB C 44 72.616 72.345 0.271 1
1 533 . 9 1 1 A 44 44 THR N N 44 114.918 114.313 0.605 1
1 534 . 9 1 1 A 45 45 TYR H H 45 8.553 8.999 -0.446 1
1 535 . 9 1 1 A 45 45 TYR HA H 45 5.002 5.066 -0.064 1
1 540 . 9 1 1 A 45 45 TYR C C 45 173.745 173.614 0.131 1
1 541 . 9 1 1 A 45 45 TYR CA C 45 57.249 56.388 0.861 1
1 542 . 9 1 1 A 45 45 TYR CB C 45 41.719 41.738 -0.019 1
1 545 . 9 1 1 A 45 45 TYR N N 45 121.490 127.753 -6.263 1
1 546 . 9 1 1 A 46 46 LYS H H 46 7.348 8.214 -0.866 1
1 547 . 9 1 1 A 46 46 LYS HA H 46 4.222 4.661 -0.439 1
1 554 . 9 1 1 A 46 46 LYS C C 46 175.715 175.447 0.268 1
1 555 . 9 1 1 A 46 46 LYS CA C 46 53.576 54.547 -0.971 1
1 556 . 9 1 1 A 46 46 LYS CB C 46 33.582 34.982 -1.400 1
1 560 . 9 1 1 A 46 46 LYS N N 46 129.620 126.515 3.105 1
1 561 . 9 1 1 A 47 47 ASP H H 47 8.578 8.824 -0.246 1
1 562 . 9 1 1 A 47 47 ASP HA H 47 4.126 4.776 -0.650 1
1 565 . 9 1 1 A 47 47 ASP C C 47 179.207 176.845 2.362 1
1 566 . 9 1 1 A 47 47 ASP CA C 47 57.191 53.695 3.496 1
1 567 . 9 1 1 A 47 47 ASP CB C 47 41.969 40.934 1.035 1
1 568 . 9 1 1 A 47 47 ASP N N 47 125.757 125.754 0.003 1
1 569 . 9 1 1 A 48 48 GLU H H 48 9.445 7.979 1.466 1
1 570 . 9 1 1 A 48 48 GLU HA H 48 3.918 4.186 -0.268 1
1 575 . 9 1 1 A 48 48 GLU C C 48 177.578 177.120 0.458 1
1 576 . 9 1 1 A 48 48 GLU CA C 48 60.066 57.997 2.069 1
1 577 . 9 1 1 A 48 48 GLU CB C 48 29.343 30.281 -0.938 1
1 579 . 9 1 1 A 48 48 GLU N N 48 117.612 119.425 -1.813 1
1 580 . 9 1 1 A 49 49 THR H H 49 6.624 7.569 -0.945 1
1 581 . 9 1 1 A 49 49 THR HA H 49 4.414 4.500 -0.086 1
1 586 . 9 1 1 A 49 49 THR C C 49 175.232 173.855 1.377 1
1 587 . 9 1 1 A 49 49 THR CA C 49 59.873 60.677 -0.804 1
1 588 . 9 1 1 A 49 49 THR CB C 49 69.188 69.868 -0.680 1
1 590 . 9 1 1 A 49 49 THR N N 49 103.078 109.827 -6.749 1
1 591 . 9 1 1 A 50 50 LYS H H 50 7.828 7.848 -0.020 1
1 592 . 9 1 1 A 50 50 LYS HA H 50 4.139 4.260 -0.121 1
1 597 . 9 1 1 A 50 50 LYS C C 50 174.786 175.008 -0.222 1
1 598 . 9 1 1 A 50 50 LYS CA C 50 55.981 56.798 -0.817 1
1 599 . 9 1 1 A 50 50 LYS CB C 50 29.258 30.540 -1.282 1
1 602 . 9 1 1 A 50 50 LYS N N 50 123.628 117.620 6.008 1
1 603 . 9 1 1 A 51 51 THR H H 51 7.216 7.279 -0.063 1
1 604 . 9 1 1 A 51 51 THR HA H 51 5.433 5.369 0.064 1
1 609 . 9 1 1 A 51 51 THR C C 51 174.574 173.318 1.256 1
1 610 . 9 1 1 A 51 51 THR CA C 51 62.224 61.292 0.932 1
1 611 . 9 1 1 A 51 51 THR CB C 51 72.346 71.893 0.453 1
1 613 . 9 1 1 A 51 51 THR N N 51 110.763 113.618 -2.855 1
1 614 . 9 1 1 A 52 52 PHE H H 52 10.222 9.637 0.585 1
1 615 . 9 1 1 A 52 52 PHE HA H 52 5.447 5.440 0.007 1
1 622 . 9 1 1 A 52 52 PHE C C 52 174.401 175.204 -0.803 1
1 623 . 9 1 1 A 52 52 PHE CA C 52 57.269 57.474 -0.205 1
1 624 . 9 1 1 A 52 52 PHE CB C 52 42.143 41.965 0.178 1
1 629 . 9 1 1 A 52 52 PHE N N 52 130.993 125.753 5.240 1
1 630 . 9 1 1 A 53 53 THR H H 53 9.099 9.046 0.053 1
1 631 . 9 1 1 A 53 53 THR HA H 53 5.108 4.934 0.174 1
1 636 . 9 1 1 A 53 53 THR C C 53 172.565 171.759 0.806 1
1 637 . 9 1 1 A 53 53 THR CA C 53 61.737 60.703 1.034 1
1 638 . 9 1 1 A 53 53 THR CB C 53 70.663 70.611 0.052 1
1 640 . 9 1 1 A 53 53 THR N N 53 117.968 115.337 2.631 1
1 641 . 9 1 1 A 54 54 VAL H H 54 8.496 8.529 -0.033 1
1 642 . 9 1 1 A 54 54 VAL HA H 54 4.410 5.305 -0.895 1
1 650 . 9 1 1 A 54 54 VAL C C 54 173.790 173.778 0.012 1
1 651 . 9 1 1 A 54 54 VAL CA C 54 59.103 59.260 -0.157 1
1 652 . 9 1 1 A 54 54 VAL CB C 54 32.651 33.409 -0.758 1
1 655 . 9 1 1 A 54 54 VAL N N 54 125.071 128.250 -3.179 1
1 656 . 9 1 1 A 55 55 THR H H 55 8.265 8.673 -0.408 1
1 657 . 9 1 1 A 55 55 THR HA H 55 4.792 4.866 -0.074 1
1 662 . 9 1 1 A 55 55 THR C C 55 173.789 171.982 1.807 1
1 663 . 9 1 1 A 55 55 THR CA C 55 61.035 59.615 1.420 1
1 664 . 9 1 1 A 55 55 THR CB C 55 71.261 71.611 -0.350 1
1 666 . 9 1 1 A 55 55 THR N N 55 122.202 121.649 0.553 1
1 10 . 10 1 1 A 2 2 THR H H 2 8.719 8.386 0.333 1
1 11 . 10 1 1 A 2 2 THR HA H 2 4.251 5.028 -0.777 1
1 16 . 10 1 1 A 2 2 THR C C 2 172.951 173.569 -0.618 1
1 17 . 10 1 1 A 2 2 THR CA C 2 63.748 61.390 2.358 1
1 18 . 10 1 1 A 2 2 THR CB C 2 68.568 70.179 -1.611 1
1 20 . 10 1 1 A 2 2 THR N N 2 123.894 115.134 8.760 1
1 21 . 10 1 1 A 3 3 TYR H H 3 8.841 9.406 -0.565 1
1 22 . 10 1 1 A 3 3 TYR HA H 3 5.289 5.222 0.067 1
1 29 . 10 1 1 A 3 3 TYR C C 3 173.975 175.034 -1.059 1
1 30 . 10 1 1 A 3 3 TYR CA C 3 57.850 56.904 0.946 1
1 31 . 10 1 1 A 3 3 TYR CB C 3 43.043 40.213 2.830 1
1 36 . 10 1 1 A 3 3 TYR N N 3 127.370 126.562 0.808 1
1 37 . 10 1 1 A 4 4 LYS H H 4 8.791 9.105 -0.314 1
1 38 . 10 1 1 A 4 4 LYS HA H 4 5.344 5.372 -0.028 1
1 43 . 10 1 1 A 4 4 LYS C C 4 173.055 174.582 -1.527 1
1 44 . 10 1 1 A 4 4 LYS CA C 4 54.537 55.123 -0.586 1
1 45 . 10 1 1 A 4 4 LYS CB C 4 35.881 35.551 0.330 1
1 48 . 10 1 1 A 4 4 LYS N N 4 121.038 124.637 -3.599 1
1 49 . 10 1 1 A 5 5 LEU H H 5 9.005 8.654 0.351 1
1 50 . 10 1 1 A 5 5 LEU HA H 5 4.889 5.078 -0.189 1
1 60 . 10 1 1 A 5 5 LEU C C 5 174.789 174.774 0.015 1
1 61 . 10 1 1 A 5 5 LEU CA C 5 52.566 53.713 -1.147 1
1 62 . 10 1 1 A 5 5 LEU CB C 5 44.174 44.996 -0.822 1
1 65 . 10 1 1 A 5 5 LEU N N 5 126.547 127.142 -0.595 1
1 66 . 10 1 1 A 6 6 ILE H H 6 9.104 8.491 0.613 1
1 67 . 10 1 1 A 6 6 ILE HA H 6 4.970 4.918 0.052 1
1 71 . 10 1 1 A 6 6 ILE C C 6 174.690 174.314 0.376 1
1 72 . 10 1 1 A 6 6 ILE CA C 6 60.313 58.943 1.370 1
1 73 . 10 1 1 A 6 6 ILE CB C 6 38.652 41.309 -2.657 1
1 76 . 10 1 1 A 6 6 ILE N N 6 126.502 121.866 4.636 1
1 77 . 10 1 1 A 7 7 LEU H H 7 8.907 9.037 -0.130 1
1 78 . 10 1 1 A 7 7 LEU HA H 7 4.452 5.761 -1.309 1
1 88 . 10 1 1 A 7 7 LEU C C 7 174.573 175.500 -0.927 1
1 89 . 10 1 1 A 7 7 LEU CA C 7 54.010 53.329 0.681 1
1 90 . 10 1 1 A 7 7 LEU CB C 7 41.072 44.828 -3.756 1
1 93 . 10 1 1 A 7 7 LEU N N 7 126.037 126.831 -0.794 1
1 94 . 10 1 1 A 8 8 ASN H H 8 8.941 8.712 0.229 1
1 95 . 10 1 1 A 8 8 ASN HA H 8 4.943 5.412 -0.469 1
1 100 . 10 1 1 A 8 8 ASN C C 8 174.323 174.295 0.028 1
1 101 . 10 1 1 A 8 8 ASN CA C 8 51.785 51.647 0.138 1
1 102 . 10 1 1 A 8 8 ASN CB C 8 38.008 41.533 -3.525 1
1 103 . 10 1 1 A 8 8 ASN N N 8 125.436 121.425 4.011 1
1 105 . 10 1 1 A 9 9 LEU H H 9 7.636 8.623 -0.987 1
1 106 . 10 1 1 A 9 9 LEU HA H 9 4.548 5.102 -0.554 1
1 113 . 10 1 1 A 9 9 LEU C C 9 177.230 177.382 -0.152 1
1 114 . 10 1 1 A 9 9 LEU CA C 9 53.502 53.255 0.247 1
1 115 . 10 1 1 A 9 9 LEU CB C 9 41.569 44.242 -2.673 1
1 118 . 10 1 1 A 9 9 LEU N N 9 121.638 124.693 -3.055 1
1 119 . 10 1 1 A 10 10 LYS H H 10 9.138 8.586 0.552 1
1 120 . 10 1 1 A 10 10 LYS HA H 10 3.964 4.526 -0.562 1
1 127 . 10 1 1 A 10 10 LYS C C 10 179.119 177.510 1.609 1
1 128 . 10 1 1 A 10 10 LYS CA C 10 59.786 55.887 3.899 1
1 129 . 10 1 1 A 10 10 LYS CB C 10 31.825 33.179 -1.354 1
1 133 . 10 1 1 A 10 10 LYS N N 10 120.948 122.118 -1.170 1
1 134 . 10 1 1 A 11 11 GLN H H 11 8.432 7.889 0.543 1
1 135 . 10 1 1 A 11 11 GLN HA H 11 4.325 4.467 -0.142 1
1 140 . 10 1 1 A 11 11 GLN C C 11 175.294 175.409 -0.115 1
1 141 . 10 1 1 A 11 11 GLN CA C 11 55.903 56.532 -0.629 1
1 142 . 10 1 1 A 11 11 GLN CB C 11 29.207 31.817 -2.610 1
1 144 . 10 1 1 A 11 11 GLN N N 11 113.252 119.595 -6.343 1
1 145 . 10 1 1 A 12 12 ALA H H 12 7.079 7.778 -0.699 1
1 146 . 10 1 1 A 12 12 ALA HA H 12 4.318 4.784 -0.466 1
1 150 . 10 1 1 A 12 12 ALA C C 12 174.190 175.340 -1.150 1
1 151 . 10 1 1 A 12 12 ALA CA C 12 52.507 50.713 1.794 1
1 152 . 10 1 1 A 12 12 ALA CB C 12 21.479 22.788 -1.309 1
1 153 . 10 1 1 A 12 12 ALA N N 12 120.435 119.397 1.038 1
1 154 . 10 1 1 A 13 13 LYS H H 13 8.156 8.808 -0.652 1
1 155 . 10 1 1 A 13 13 LYS HA H 13 5.197 5.082 0.115 1
1 162 . 10 1 1 A 13 13 LYS C C 13 176.127 175.718 0.409 1
1 163 . 10 1 1 A 13 13 LYS CA C 13 55.036 54.637 0.399 1
1 164 . 10 1 1 A 13 13 LYS CB C 13 33.890 34.707 -0.817 1
1 168 . 10 1 1 A 13 13 LYS N N 13 120.644 120.641 0.003 1
1 169 . 10 1 1 A 14 14 GLU H H 14 8.545 8.624 -0.079 1
1 170 . 10 1 1 A 14 14 GLU HA H 14 4.629 5.356 -0.727 1
1 175 . 10 1 1 A 14 14 GLU C C 14 173.875 175.442 -1.567 1
1 176 . 10 1 1 A 14 14 GLU CA C 14 54.680 54.747 -0.067 1
1 177 . 10 1 1 A 14 14 GLU CB C 14 34.319 33.424 0.895 1
1 179 . 10 1 1 A 14 14 GLU N N 14 123.133 123.812 -0.679 1
1 180 . 10 1 1 A 15 15 GLU H H 15 8.532 8.877 -0.345 1
1 181 . 10 1 1 A 15 15 GLU HA H 15 5.465 5.185 0.280 1
1 186 . 10 1 1 A 15 15 GLU C C 15 175.284 175.254 0.030 1
1 188 . 10 1 1 A 15 15 GLU N N 15 120.437 122.698 -2.261 1
1 189 . 10 1 1 A 16 16 ALA H H 16 9.161 8.621 0.540 1
1 190 . 10 1 1 A 16 16 ALA HA H 16 4.731 4.856 -0.125 1
1 194 . 10 1 1 A 16 16 ALA C C 16 174.936 175.508 -0.572 1
1 195 . 10 1 1 A 16 16 ALA CA C 16 51.278 51.264 0.014 1
1 196 . 10 1 1 A 16 16 ALA CB C 16 22.037 23.717 -1.680 1
1 197 . 10 1 1 A 16 16 ALA N N 16 126.588 122.473 4.115 1
1 198 . 10 1 1 A 17 17 ILE H H 17 8.387 8.764 -0.377 1
1 199 . 10 1 1 A 17 17 ILE HA H 17 5.325 5.098 0.227 1
1 206 . 10 1 1 A 17 17 ILE C C 17 176.066 173.339 2.727 1
1 210 . 10 1 1 A 17 17 ILE N N 17 117.620 119.308 -1.688 1
1 211 . 10 1 1 A 18 18 LYS H H 18 9.152 9.563 -0.411 1
1 212 . 10 1 1 A 18 18 LYS HA H 18 4.385 4.972 -0.587 1
1 221 . 10 1 1 A 18 18 LYS C C 18 173.587 175.398 -1.811 1
1 222 . 10 1 1 A 18 18 LYS CA C 18 55.084 54.580 0.504 1
1 223 . 10 1 1 A 18 18 LYS CB C 18 36.862 36.239 0.623 1
1 227 . 10 1 1 A 18 18 LYS N N 18 125.563 127.730 -2.167 1
1 228 . 10 1 1 A 19 19 GLU H H 19 8.337 8.676 -0.339 1
1 229 . 10 1 1 A 19 19 GLU HA H 19 4.907 4.812 0.095 1
1 234 . 10 1 1 A 19 19 GLU C C 19 175.687 175.775 -0.088 1
1 235 . 10 1 1 A 19 19 GLU CA C 19 55.679 55.641 0.038 1
1 236 . 10 1 1 A 19 19 GLU CB C 19 29.158 30.591 -1.433 1
1 238 . 10 1 1 A 19 19 GLU N N 19 127.836 122.151 5.685 1
1 239 . 10 1 1 A 20 20 LEU H H 20 8.710 8.277 0.433 1
1 240 . 10 1 1 A 20 20 LEU HA H 20 4.798 4.853 -0.055 1
1 247 . 10 1 1 A 20 20 LEU C C 20 177.829 176.982 0.847 1
1 248 . 10 1 1 A 20 20 LEU CA C 20 53.519 53.148 0.371 1
1 249 . 10 1 1 A 20 20 LEU CB C 20 47.902 45.414 2.488 1
1 252 . 10 1 1 A 20 20 LEU N N 20 127.240 123.558 3.682 1
1 253 . 10 1 1 A 21 21 VAL H H 21 8.236 8.782 -0.546 1
1 254 . 10 1 1 A 21 21 VAL HA H 21 3.947 4.290 -0.343 1
1 259 . 10 1 1 A 21 21 VAL C C 21 175.301 175.426 -0.125 1
1 260 . 10 1 1 A 21 21 VAL CA C 21 64.879 62.986 1.893 1
1 261 . 10 1 1 A 21 21 VAL CB C 21 32.290 32.580 -0.290 1
1 263 . 10 1 1 A 21 21 VAL N N 21 116.513 118.409 -1.896 1
1 264 . 10 1 1 A 22 22 ASP H H 22 7.071 7.882 -0.811 1
1 265 . 10 1 1 A 22 22 ASP HA H 22 4.028 5.082 -1.054 1
1 268 . 10 1 1 A 22 22 ASP C C 22 172.221 175.414 -3.193 1
1 269 . 10 1 1 A 22 22 ASP CA C 22 52.983 52.894 0.089 1
1 270 . 10 1 1 A 22 22 ASP CB C 22 42.107 43.931 -1.824 1
1 271 . 10 1 1 A 22 22 ASP N N 22 115.040 120.056 -5.016 1
1 272 . 10 1 1 A 23 23 ALA H H 23 8.332 8.870 -0.538 1
1 273 . 10 1 1 A 23 23 ALA HA H 23 4.136 4.016 0.120 1
1 277 . 10 1 1 A 23 23 ALA C C 23 179.560 179.510 0.050 1
1 278 . 10 1 1 A 23 23 ALA CA C 23 55.215 54.969 0.246 1
1 279 . 10 1 1 A 23 23 ALA CB C 23 17.337 18.683 -1.346 1
1 280 . 10 1 1 A 23 23 ALA N N 23 121.322 122.823 -1.501 1
1 281 . 10 1 1 A 24 24 ALA H H 24 8.168 8.117 0.051 1
1 282 . 10 1 1 A 24 24 ALA HA H 24 4.000 4.007 -0.007 1
1 286 . 10 1 1 A 24 24 ALA C C 24 181.170 179.633 1.537 1
1 287 . 10 1 1 A 24 24 ALA CA C 24 54.771 55.146 -0.375 1
1 288 . 10 1 1 A 24 24 ALA CB C 24 17.274 18.785 -1.511 1
1 289 . 10 1 1 A 24 24 ALA N N 24 122.440 120.186 2.254 1
1 290 . 10 1 1 A 25 25 THR H H 25 8.444 8.001 0.443 1
1 291 . 10 1 1 A 25 25 THR HA H 25 3.924 3.857 0.067 1
1 296 . 10 1 1 A 25 25 THR C C 25 176.695 176.169 0.526 1
1 297 . 10 1 1 A 25 25 THR CA C 25 66.636 66.407 0.229 1
1 298 . 10 1 1 A 25 25 THR CB C 25 68.177 68.445 -0.268 1
1 300 . 10 1 1 A 25 25 THR N N 25 117.219 113.447 3.772 1
1 301 . 10 1 1 A 26 26 ALA H H 26 7.755 7.802 -0.047 1
1 302 . 10 1 1 A 26 26 ALA HA H 26 3.427 3.629 -0.202 1
1 306 . 10 1 1 A 26 26 ALA C C 26 176.844 180.262 -3.418 1
1 307 . 10 1 1 A 26 26 ALA CA C 26 55.025 55.351 -0.326 1
1 308 . 10 1 1 A 26 26 ALA CB C 26 17.772 17.471 0.301 1
1 309 . 10 1 1 A 26 26 ALA N N 26 125.147 122.906 2.241 1
1 310 . 10 1 1 A 27 27 GLU H H 27 8.412 8.846 -0.434 1
1 311 . 10 1 1 A 27 27 GLU HA H 27 2.758 3.716 -0.958 1
1 316 . 10 1 1 A 27 27 GLU C C 27 177.417 179.278 -1.861 1
1 317 . 10 1 1 A 27 27 GLU CA C 27 59.932 59.319 0.613 1
1 318 . 10 1 1 A 27 27 GLU CB C 27 28.943 29.259 -0.316 1
1 320 . 10 1 1 A 27 27 GLU N N 27 119.203 118.010 1.193 1
1 321 . 10 1 1 A 28 28 LYS H H 28 7.013 7.624 -0.611 1
1 322 . 10 1 1 A 28 28 LYS HA H 28 3.626 3.997 -0.371 1
1 329 . 10 1 1 A 28 28 LYS C C 28 178.802 178.399 0.403 1
1 330 . 10 1 1 A 28 28 LYS CA C 28 59.572 58.698 0.874 1
1 331 . 10 1 1 A 28 28 LYS CB C 28 32.290 32.531 -0.241 1
1 335 . 10 1 1 A 28 28 LYS N N 28 116.415 119.952 -3.537 1
1 336 . 10 1 1 A 29 29 TYR H H 29 7.815 8.392 -0.577 1
1 337 . 10 1 1 A 29 29 TYR HA H 29 3.841 4.226 -0.385 1
1 344 . 10 1 1 A 29 29 TYR C C 29 178.466 177.535 0.931 1
1 345 . 10 1 1 A 29 29 TYR CA C 29 61.703 61.523 0.180 1
1 346 . 10 1 1 A 29 29 TYR CB C 29 38.193 38.734 -0.541 1
1 351 . 10 1 1 A 29 29 TYR N N 29 119.360 120.630 -1.270 1
1 352 . 10 1 1 A 30 30 PHE H H 30 8.979 9.153 -0.174 1
1 353 . 10 1 1 A 30 30 PHE HA H 30 4.451 4.358 0.093 1
1 360 . 10 1 1 A 30 30 PHE C C 30 178.342 177.922 0.420 1
1 361 . 10 1 1 A 30 30 PHE CA C 30 59.395 61.838 -2.443 1
1 362 . 10 1 1 A 30 30 PHE CB C 30 37.451 38.769 -1.318 1
1 367 . 10 1 1 A 30 30 PHE N N 30 119.088 118.254 0.834 1
1 368 . 10 1 1 A 31 31 LYS H H 31 8.464 8.005 0.459 1
1 369 . 10 1 1 A 31 31 LYS HA H 31 3.983 4.413 -0.430 1
1 376 . 10 1 1 A 31 31 LYS C C 31 179.506 179.035 0.471 1
1 377 . 10 1 1 A 31 31 LYS CA C 31 60.031 59.567 0.464 1
1 378 . 10 1 1 A 31 31 LYS CB C 31 31.236 32.151 -0.915 1
1 381 . 10 1 1 A 31 31 LYS N N 31 122.220 119.672 2.548 1
1 382 . 10 1 1 A 32 32 LEU H H 32 7.314 7.755 -0.441 1
1 383 . 10 1 1 A 32 32 LEU HA H 32 3.990 4.089 -0.099 1
1 390 . 10 1 1 A 32 32 LEU C C 32 179.565 178.955 0.610 1
1 391 . 10 1 1 A 32 32 LEU CA C 32 58.069 57.611 0.458 1
1 392 . 10 1 1 A 32 32 LEU CB C 32 41.329 41.498 -0.169 1
1 395 . 10 1 1 A 32 32 LEU N N 32 120.642 119.346 1.296 1
1 396 . 10 1 1 A 33 33 TYR H H 33 8.018 8.263 -0.245 1
1 397 . 10 1 1 A 33 33 TYR HA H 33 3.999 4.056 -0.057 1
1 405 . 10 1 1 A 33 33 TYR C C 33 177.598 178.174 -0.576 1
1 406 . 10 1 1 A 33 33 TYR CA C 33 61.107 62.027 -0.920 1
1 407 . 10 1 1 A 33 33 TYR CB C 33 39.081 38.679 0.402 1
1 412 . 10 1 1 A 33 33 TYR N N 33 122.222 119.439 2.783 1
1 413 . 10 1 1 A 34 34 ALA H H 34 8.794 8.617 0.177 1
1 414 . 10 1 1 A 34 34 ALA HA H 34 3.783 4.248 -0.465 1
1 418 . 10 1 1 A 34 34 ALA C C 34 179.307 179.008 0.299 1
1 419 . 10 1 1 A 34 34 ALA CA C 34 54.459 54.916 -0.457 1
1 420 . 10 1 1 A 34 34 ALA CB C 34 18.376 18.011 0.365 1
1 421 . 10 1 1 A 34 34 ALA N N 34 119.675 121.705 -2.030 1
1 422 . 10 1 1 A 35 35 ASN H H 35 8.156 7.671 0.485 1
1 423 . 10 1 1 A 35 35 ASN HA H 35 4.489 4.661 -0.172 1
1 426 . 10 1 1 A 35 35 ASN C C 35 177.869 176.400 1.469 1
1 427 . 10 1 1 A 35 35 ASN CA C 35 56.410 55.450 0.960 1
1 428 . 10 1 1 A 35 35 ASN CB C 35 38.339 38.742 -0.403 1
1 429 . 10 1 1 A 35 35 ASN N N 35 117.882 116.034 1.848 1
1 430 . 10 1 1 A 36 36 ALA H H 36 7.804 7.544 0.260 1
1 431 . 10 1 1 A 36 36 ALA HA H 36 4.087 4.282 -0.195 1
1 435 . 10 1 1 A 36 36 ALA C C 36 178.579 179.466 -0.887 1
1 436 . 10 1 1 A 36 36 ALA CA C 36 53.893 54.307 -0.414 1
1 437 . 10 1 1 A 36 36 ALA CB C 36 17.782 18.974 -1.192 1
1 438 . 10 1 1 A 36 36 ALA N N 36 121.244 122.558 -1.314 1
1 439 . 10 1 1 A 37 37 LYS H H 37 7.380 8.148 -0.768 1
1 440 . 10 1 1 A 37 37 LYS HA H 37 4.164 3.981 0.183 1
1 447 . 10 1 1 A 37 37 LYS C C 37 175.831 176.753 -0.922 1
1 448 . 10 1 1 A 37 37 LYS CA C 37 56.020 58.989 -2.969 1
1 449 . 10 1 1 A 37 37 LYS CB C 37 32.876 32.251 0.625 1
1 453 . 10 1 1 A 37 37 LYS N N 37 116.585 117.235 -0.650 1
1 454 . 10 1 1 A 38 38 THR H H 38 7.891 7.623 0.268 1
1 455 . 10 1 1 A 38 38 THR HA H 38 4.144 4.745 -0.601 1
1 460 . 10 1 1 A 38 38 THR C C 38 172.820 174.010 -1.190 1
1 461 . 10 1 1 A 38 38 THR CA C 38 61.719 60.312 1.407 1
1 462 . 10 1 1 A 38 38 THR CB C 38 68.688 70.221 -1.533 1
1 464 . 10 1 1 A 38 38 THR N N 38 113.375 109.210 4.165 1
1 465 . 10 1 1 A 39 39 VAL H H 39 7.939 8.180 -0.241 1
1 466 . 10 1 1 A 39 39 VAL HA H 39 4.148 4.584 -0.436 1
1 471 . 10 1 1 A 39 39 VAL C C 39 174.525 173.904 0.621 1
1 472 . 10 1 1 A 39 39 VAL CA C 39 62.125 59.762 2.363 1
1 473 . 10 1 1 A 39 39 VAL CB C 39 32.720 34.144 -1.424 1
1 475 . 10 1 1 A 39 39 VAL N N 39 120.564 115.363 5.201 1
1 476 . 10 1 1 A 40 40 GLU H H 40 8.586 8.759 -0.173 1
1 477 . 10 1 1 A 40 40 GLU HA H 40 4.533 5.107 -0.574 1
1 482 . 10 1 1 A 40 40 GLU C C 40 175.158 175.839 -0.681 1
1 483 . 10 1 1 A 40 40 GLU CA C 40 55.211 55.047 0.164 1
1 484 . 10 1 1 A 40 40 GLU CB C 40 31.130 31.792 -0.662 1
1 486 . 10 1 1 A 40 40 GLU N N 40 126.113 122.472 3.641 1
1 487 . 10 1 1 A 41 41 GLY H H 41 8.042 8.645 -0.603 1
1 488 . 10 1 1 A 41 41 GLY HA2 H 41 4.059 4.177 -0.118 1
1 489 . 10 1 1 A 41 41 GLY HA3 H 41 3.533 4.234 -0.701 1
1 490 . 10 1 1 A 41 41 GLY C C 41 174.994 172.826 2.168 1
1 491 . 10 1 1 A 41 41 GLY CA C 41 45.300 45.363 -0.063 1
1 492 . 10 1 1 A 41 41 GLY N N 41 107.727 113.076 -5.349 1
1 493 . 10 1 1 A 42 42 VAL H H 42 8.349 8.640 -0.291 1
1 494 . 10 1 1 A 42 42 VAL HA H 42 4.303 4.231 0.072 1
1 499 . 10 1 1 A 42 42 VAL C C 42 176.649 176.065 0.584 1
1 500 . 10 1 1 A 42 42 VAL CA C 42 62.243 62.021 0.222 1
1 501 . 10 1 1 A 42 42 VAL CB C 42 33.763 32.675 1.088 1
1 503 . 10 1 1 A 42 42 VAL N N 42 121.379 118.898 2.481 1
1 504 . 10 1 1 A 43 43 TRP H H 43 9.250 9.170 0.080 1
1 505 . 10 1 1 A 43 43 TRP HA H 43 5.104 5.298 -0.194 1
1 514 . 10 1 1 A 43 43 TRP C C 43 177.089 175.551 1.538 1
1 515 . 10 1 1 A 43 43 TRP CA C 43 57.991 55.683 2.308 1
1 516 . 10 1 1 A 43 43 TRP CB C 43 29.904 31.680 -1.776 1
1 521 . 10 1 1 A 43 43 TRP N N 43 130.568 122.925 7.643 1
1 523 . 10 1 1 A 44 44 THR H H 44 9.219 9.766 -0.547 1
1 524 . 10 1 1 A 44 44 THR HA H 44 4.694 5.380 -0.686 1
1 529 . 10 1 1 A 44 44 THR C C 44 172.706 172.587 0.119 1
1 530 . 10 1 1 A 44 44 THR CA C 44 60.957 60.648 0.309 1
1 531 . 10 1 1 A 44 44 THR CB C 44 72.616 70.807 1.809 1
1 533 . 10 1 1 A 44 44 THR N N 44 114.918 115.827 -0.909 1
1 534 . 10 1 1 A 45 45 TYR H H 45 8.553 9.146 -0.593 1
1 535 . 10 1 1 A 45 45 TYR HA H 45 5.002 4.864 0.138 1
1 540 . 10 1 1 A 45 45 TYR C C 45 173.745 174.154 -0.409 1
1 541 . 10 1 1 A 45 45 TYR CA C 45 57.249 58.123 -0.874 1
1 542 . 10 1 1 A 45 45 TYR CB C 45 41.719 39.737 1.982 1
1 545 . 10 1 1 A 45 45 TYR N N 45 121.490 127.878 -6.388 1
1 546 . 10 1 1 A 46 46 LYS H H 46 7.348 7.887 -0.539 1
1 547 . 10 1 1 A 46 46 LYS HA H 46 4.222 4.710 -0.488 1
1 554 . 10 1 1 A 46 46 LYS C C 46 175.715 175.160 0.555 1
1 555 . 10 1 1 A 46 46 LYS CA C 46 53.576 54.352 -0.776 1
1 556 . 10 1 1 A 46 46 LYS CB C 46 33.582 34.370 -0.788 1
1 560 . 10 1 1 A 46 46 LYS N N 46 129.620 126.650 2.970 1
1 561 . 10 1 1 A 47 47 ASP H H 47 8.578 8.794 -0.216 1
1 562 . 10 1 1 A 47 47 ASP HA H 47 4.126 4.704 -0.578 1
1 565 . 10 1 1 A 47 47 ASP C C 47 179.207 176.701 2.506 1
1 566 . 10 1 1 A 47 47 ASP CA C 47 57.191 53.679 3.512 1
1 567 . 10 1 1 A 47 47 ASP CB C 47 41.969 41.132 0.837 1
1 568 . 10 1 1 A 47 47 ASP N N 47 125.757 126.443 -0.686 1
1 569 . 10 1 1 A 48 48 GLU H H 48 9.445 7.846 1.599 1
1 570 . 10 1 1 A 48 48 GLU HA H 48 3.918 4.409 -0.491 1
1 575 . 10 1 1 A 48 48 GLU C C 48 177.578 177.077 0.501 1
1 576 . 10 1 1 A 48 48 GLU CA C 48 60.066 57.002 3.064 1
1 577 . 10 1 1 A 48 48 GLU CB C 48 29.343 31.416 -2.073 1
1 579 . 10 1 1 A 48 48 GLU N N 48 117.612 118.636 -1.024 1
1 580 . 10 1 1 A 49 49 THR H H 49 6.624 7.604 -0.980 1
1 581 . 10 1 1 A 49 49 THR HA H 49 4.414 4.470 -0.056 1
1 586 . 10 1 1 A 49 49 THR C C 49 175.232 173.863 1.369 1
1 587 . 10 1 1 A 49 49 THR CA C 49 59.873 61.052 -1.179 1
1 588 . 10 1 1 A 49 49 THR CB C 49 69.188 69.846 -0.658 1
1 590 . 10 1 1 A 49 49 THR N N 49 103.078 110.455 -7.377 1
1 591 . 10 1 1 A 50 50 LYS H H 50 7.828 7.865 -0.037 1
1 592 . 10 1 1 A 50 50 LYS HA H 50 4.139 3.990 0.149 1
1 597 . 10 1 1 A 50 50 LYS C C 50 174.786 174.936 -0.150 1
1 598 . 10 1 1 A 50 50 LYS CA C 50 55.981 56.892 -0.911 1
1 599 . 10 1 1 A 50 50 LYS CB C 50 29.258 30.329 -1.071 1
1 602 . 10 1 1 A 50 50 LYS N N 50 123.628 118.051 5.577 1
1 603 . 10 1 1 A 51 51 THR H H 51 7.216 7.278 -0.062 1
1 604 . 10 1 1 A 51 51 THR HA H 51 5.433 5.388 0.045 1
1 609 . 10 1 1 A 51 51 THR C C 51 174.574 173.371 1.203 1
1 610 . 10 1 1 A 51 51 THR CA C 51 62.224 61.548 0.676 1
1 611 . 10 1 1 A 51 51 THR CB C 51 72.346 71.894 0.452 1
1 613 . 10 1 1 A 51 51 THR N N 51 110.763 112.959 -2.196 1
1 614 . 10 1 1 A 52 52 PHE H H 52 10.222 9.553 0.669 1
1 615 . 10 1 1 A 52 52 PHE HA H 52 5.447 5.450 -0.003 1
1 622 . 10 1 1 A 52 52 PHE C C 52 174.401 175.311 -0.910 1
1 623 . 10 1 1 A 52 52 PHE CA C 52 57.269 57.454 -0.185 1
1 624 . 10 1 1 A 52 52 PHE CB C 52 42.143 41.839 0.304 1
1 629 . 10 1 1 A 52 52 PHE N N 52 130.993 125.599 5.394 1
1 630 . 10 1 1 A 53 53 THR H H 53 9.099 8.663 0.436 1
1 631 . 10 1 1 A 53 53 THR HA H 53 5.108 5.033 0.075 1
1 636 . 10 1 1 A 53 53 THR C C 53 172.565 172.618 -0.053 1
1 637 . 10 1 1 A 53 53 THR CA C 53 61.737 61.659 0.078 1
1 638 . 10 1 1 A 53 53 THR CB C 53 70.663 71.075 -0.412 1
1 640 . 10 1 1 A 53 53 THR N N 53 117.968 115.629 2.339 1
1 641 . 10 1 1 A 54 54 VAL H H 54 8.496 8.609 -0.113 1
1 642 . 10 1 1 A 54 54 VAL HA H 54 4.410 5.247 -0.837 1
1 650 . 10 1 1 A 54 54 VAL C C 54 173.790 173.495 0.295 1
1 651 . 10 1 1 A 54 54 VAL CA C 54 59.103 59.267 -0.164 1
1 652 . 10 1 1 A 54 54 VAL CB C 54 32.651 34.293 -1.642 1
1 655 . 10 1 1 A 54 54 VAL N N 54 125.071 126.336 -1.265 1
1 656 . 10 1 1 A 55 55 THR H H 55 8.265 8.423 -0.158 1
1 657 . 10 1 1 A 55 55 THR HA H 55 4.792 5.135 -0.343 1
1 662 . 10 1 1 A 55 55 THR C C 55 173.789 173.501 0.288 1
1 663 . 10 1 1 A 55 55 THR CA C 55 61.035 60.768 0.267 1
1 664 . 10 1 1 A 55 55 THR CB C 55 71.261 72.328 -1.067 1
1 666 . 10 1 1 A 55 55 THR N N 55 122.202 122.274 -0.072 1
1 10 . 11 1 1 A 2 2 THR H H 2 8.719 8.421 0.298 1
1 11 . 11 1 1 A 2 2 THR HA H 2 4.251 4.990 -0.739 1
1 16 . 11 1 1 A 2 2 THR C C 2 172.951 173.387 -0.436 1
1 17 . 11 1 1 A 2 2 THR CA C 2 63.748 61.414 2.334 1
1 18 . 11 1 1 A 2 2 THR CB C 2 68.568 70.155 -1.587 1
1 20 . 11 1 1 A 2 2 THR N N 2 123.894 117.561 6.333 1
1 21 . 11 1 1 A 3 3 TYR H H 3 8.841 9.379 -0.538 1
1 22 . 11 1 1 A 3 3 TYR HA H 3 5.289 5.336 -0.047 1
1 29 . 11 1 1 A 3 3 TYR C C 3 173.975 174.896 -0.921 1
1 30 . 11 1 1 A 3 3 TYR CA C 3 57.850 56.919 0.931 1
1 31 . 11 1 1 A 3 3 TYR CB C 3 43.043 40.324 2.719 1
1 36 . 11 1 1 A 3 3 TYR N N 3 127.370 126.530 0.840 1
1 37 . 11 1 1 A 4 4 LYS H H 4 8.791 9.194 -0.403 1
1 38 . 11 1 1 A 4 4 LYS HA H 4 5.344 5.374 -0.030 1
1 43 . 11 1 1 A 4 4 LYS C C 4 173.055 174.453 -1.398 1
1 44 . 11 1 1 A 4 4 LYS CA C 4 54.537 55.048 -0.511 1
1 45 . 11 1 1 A 4 4 LYS CB C 4 35.881 35.582 0.299 1
1 48 . 11 1 1 A 4 4 LYS N N 4 121.038 125.062 -4.024 1
1 49 . 11 1 1 A 5 5 LEU H H 5 9.005 8.727 0.278 1
1 50 . 11 1 1 A 5 5 LEU HA H 5 4.889 5.254 -0.365 1
1 60 . 11 1 1 A 5 5 LEU C C 5 174.789 174.821 -0.032 1
1 61 . 11 1 1 A 5 5 LEU CA C 5 52.566 53.505 -0.939 1
1 62 . 11 1 1 A 5 5 LEU CB C 5 44.174 44.930 -0.756 1
1 65 . 11 1 1 A 5 5 LEU N N 5 126.547 126.549 -0.002 1
1 66 . 11 1 1 A 6 6 ILE H H 6 9.104 8.634 0.470 1
1 67 . 11 1 1 A 6 6 ILE HA H 6 4.970 4.925 0.045 1
1 71 . 11 1 1 A 6 6 ILE C C 6 174.690 174.167 0.523 1
1 72 . 11 1 1 A 6 6 ILE CA C 6 60.313 59.323 0.990 1
1 73 . 11 1 1 A 6 6 ILE CB C 6 38.652 40.825 -2.173 1
1 76 . 11 1 1 A 6 6 ILE N N 6 126.502 122.456 4.046 1
1 77 . 11 1 1 A 7 7 LEU H H 7 8.907 9.534 -0.627 1
1 78 . 11 1 1 A 7 7 LEU HA H 7 4.452 5.460 -1.008 1
1 88 . 11 1 1 A 7 7 LEU C C 7 174.573 175.557 -0.984 1
1 89 . 11 1 1 A 7 7 LEU CA C 7 54.010 52.949 1.061 1
1 90 . 11 1 1 A 7 7 LEU CB C 7 41.072 44.235 -3.163 1
1 93 . 11 1 1 A 7 7 LEU N N 7 126.037 128.148 -2.111 1
1 94 . 11 1 1 A 8 8 ASN H H 8 8.941 8.508 0.433 1
1 95 . 11 1 1 A 8 8 ASN HA H 8 4.943 5.172 -0.229 1
1 100 . 11 1 1 A 8 8 ASN C C 8 174.323 174.252 0.071 1
1 101 . 11 1 1 A 8 8 ASN CA C 8 51.785 52.102 -0.317 1
1 102 . 11 1 1 A 8 8 ASN CB C 8 38.008 39.193 -1.185 1
1 103 . 11 1 1 A 8 8 ASN N N 8 125.436 123.266 2.170 1
1 105 . 11 1 1 A 9 9 LEU H H 9 7.636 8.076 -0.440 1
1 106 . 11 1 1 A 9 9 LEU HA H 9 4.548 4.621 -0.073 1
1 113 . 11 1 1 A 9 9 LEU C C 9 177.230 177.828 -0.598 1
1 114 . 11 1 1 A 9 9 LEU CA C 9 53.502 53.562 -0.060 1
1 115 . 11 1 1 A 9 9 LEU CB C 9 41.569 44.105 -2.536 1
1 118 . 11 1 1 A 9 9 LEU N N 9 121.638 121.849 -0.211 1
1 119 . 11 1 1 A 10 10 LYS H H 10 9.138 8.813 0.325 1
1 120 . 11 1 1 A 10 10 LYS HA H 10 3.964 3.985 -0.021 1
1 127 . 11 1 1 A 10 10 LYS C C 10 179.119 178.662 0.457 1
1 128 . 11 1 1 A 10 10 LYS CA C 10 59.786 59.742 0.044 1
1 129 . 11 1 1 A 10 10 LYS CB C 10 31.825 32.524 -0.699 1
1 133 . 11 1 1 A 10 10 LYS N N 10 120.948 120.161 0.787 1
1 134 . 11 1 1 A 11 11 GLN H H 11 8.432 8.362 0.070 1
1 135 . 11 1 1 A 11 11 GLN HA H 11 4.325 4.139 0.186 1
1 140 . 11 1 1 A 11 11 GLN C C 11 175.294 175.630 -0.336 1
1 141 . 11 1 1 A 11 11 GLN CA C 11 55.903 57.595 -1.692 1
1 142 . 11 1 1 A 11 11 GLN CB C 11 29.207 27.772 1.435 1
1 144 . 11 1 1 A 11 11 GLN N N 11 113.252 117.085 -3.833 1
1 145 . 11 1 1 A 12 12 ALA H H 12 7.079 7.446 -0.367 1
1 146 . 11 1 1 A 12 12 ALA HA H 12 4.318 4.411 -0.093 1
1 150 . 11 1 1 A 12 12 ALA C C 12 174.190 175.231 -1.041 1
1 151 . 11 1 1 A 12 12 ALA CA C 12 52.507 51.406 1.101 1
1 152 . 11 1 1 A 12 12 ALA CB C 12 21.479 21.125 0.354 1
1 153 . 11 1 1 A 12 12 ALA N N 12 120.435 119.631 0.804 1
1 154 . 11 1 1 A 13 13 LYS H H 13 8.156 8.309 -0.153 1
1 155 . 11 1 1 A 13 13 LYS HA H 13 5.197 4.962 0.235 1
1 162 . 11 1 1 A 13 13 LYS C C 13 176.127 175.608 0.519 1
1 163 . 11 1 1 A 13 13 LYS CA C 13 55.036 54.695 0.341 1
1 164 . 11 1 1 A 13 13 LYS CB C 13 33.890 34.592 -0.702 1
1 168 . 11 1 1 A 13 13 LYS N N 13 120.644 117.458 3.186 1
1 169 . 11 1 1 A 14 14 GLU H H 14 8.545 8.541 0.004 1
1 170 . 11 1 1 A 14 14 GLU HA H 14 4.629 5.115 -0.486 1
1 175 . 11 1 1 A 14 14 GLU C C 14 173.875 175.613 -1.738 1
1 176 . 11 1 1 A 14 14 GLU CA C 14 54.680 54.957 -0.277 1
1 177 . 11 1 1 A 14 14 GLU CB C 14 34.319 32.279 2.040 1
1 179 . 11 1 1 A 14 14 GLU N N 14 123.133 123.701 -0.568 1
1 180 . 11 1 1 A 15 15 GLU H H 15 8.532 9.035 -0.503 1
1 181 . 11 1 1 A 15 15 GLU HA H 15 5.465 5.260 0.205 1
1 186 . 11 1 1 A 15 15 GLU C C 15 175.284 174.601 0.683 1
1 188 . 11 1 1 A 15 15 GLU N N 15 120.437 121.625 -1.188 1
1 189 . 11 1 1 A 16 16 ALA H H 16 9.161 8.753 0.408 1
1 190 . 11 1 1 A 16 16 ALA HA H 16 4.731 4.850 -0.119 1
1 194 . 11 1 1 A 16 16 ALA C C 16 174.936 175.497 -0.561 1
1 195 . 11 1 1 A 16 16 ALA CA C 16 51.278 51.258 0.020 1
1 196 . 11 1 1 A 16 16 ALA CB C 16 22.037 23.611 -1.574 1
1 197 . 11 1 1 A 16 16 ALA N N 16 126.588 121.235 5.353 1
1 198 . 11 1 1 A 17 17 ILE H H 17 8.387 8.766 -0.379 1
1 199 . 11 1 1 A 17 17 ILE HA H 17 5.325 5.024 0.301 1
1 206 . 11 1 1 A 17 17 ILE C C 17 176.066 173.352 2.714 1
1 210 . 11 1 1 A 17 17 ILE N N 17 117.620 119.340 -1.720 1
1 211 . 11 1 1 A 18 18 LYS H H 18 9.152 9.691 -0.539 1
1 212 . 11 1 1 A 18 18 LYS HA H 18 4.385 4.900 -0.515 1
1 221 . 11 1 1 A 18 18 LYS C C 18 173.587 175.237 -1.650 1
1 222 . 11 1 1 A 18 18 LYS CA C 18 55.084 54.574 0.510 1
1 223 . 11 1 1 A 18 18 LYS CB C 18 36.862 36.136 0.726 1
1 227 . 11 1 1 A 18 18 LYS N N 18 125.563 127.636 -2.073 1
1 228 . 11 1 1 A 19 19 GLU H H 19 8.337 8.470 -0.133 1
1 229 . 11 1 1 A 19 19 GLU HA H 19 4.907 4.955 -0.048 1
1 234 . 11 1 1 A 19 19 GLU C C 19 175.687 175.804 -0.117 1
1 235 . 11 1 1 A 19 19 GLU CA C 19 55.679 55.914 -0.235 1
1 236 . 11 1 1 A 19 19 GLU CB C 19 29.158 31.492 -2.334 1
1 238 . 11 1 1 A 19 19 GLU N N 19 127.836 122.574 5.262 1
1 239 . 11 1 1 A 20 20 LEU H H 20 8.710 8.565 0.145 1
1 240 . 11 1 1 A 20 20 LEU HA H 20 4.798 4.589 0.209 1
1 247 . 11 1 1 A 20 20 LEU C C 20 177.829 176.571 1.258 1
1 248 . 11 1 1 A 20 20 LEU CA C 20 53.519 53.881 -0.362 1
1 249 . 11 1 1 A 20 20 LEU CB C 20 47.902 45.818 2.084 1
1 252 . 11 1 1 A 20 20 LEU N N 20 127.240 121.811 5.429 1
1 253 . 11 1 1 A 21 21 VAL H H 21 8.236 8.650 -0.414 1
1 254 . 11 1 1 A 21 21 VAL HA H 21 3.947 4.303 -0.356 1
1 259 . 11 1 1 A 21 21 VAL C C 21 175.301 175.264 0.037 1
1 260 . 11 1 1 A 21 21 VAL CA C 21 64.879 62.517 2.362 1
1 261 . 11 1 1 A 21 21 VAL CB C 21 32.290 32.923 -0.633 1
1 263 . 11 1 1 A 21 21 VAL N N 21 116.513 119.182 -2.669 1
1 264 . 11 1 1 A 22 22 ASP H H 22 7.071 7.944 -0.873 1
1 265 . 11 1 1 A 22 22 ASP HA H 22 4.028 5.101 -1.073 1
1 268 . 11 1 1 A 22 22 ASP C C 22 172.221 175.524 -3.303 1
1 269 . 11 1 1 A 22 22 ASP CA C 22 52.983 52.669 0.314 1
1 270 . 11 1 1 A 22 22 ASP CB C 22 42.107 43.803 -1.696 1
1 271 . 11 1 1 A 22 22 ASP N N 22 115.040 120.667 -5.627 1
1 272 . 11 1 1 A 23 23 ALA H H 23 8.332 8.821 -0.489 1
1 273 . 11 1 1 A 23 23 ALA HA H 23 4.136 3.856 0.280 1
1 277 . 11 1 1 A 23 23 ALA C C 23 179.560 179.533 0.027 1
1 278 . 11 1 1 A 23 23 ALA CA C 23 55.215 54.880 0.335 1
1 279 . 11 1 1 A 23 23 ALA CB C 23 17.337 18.487 -1.150 1
1 280 . 11 1 1 A 23 23 ALA N N 23 121.322 122.961 -1.639 1
1 281 . 11 1 1 A 24 24 ALA H H 24 8.168 8.133 0.035 1
1 282 . 11 1 1 A 24 24 ALA HA H 24 4.000 4.009 -0.009 1
1 286 . 11 1 1 A 24 24 ALA C C 24 181.170 179.704 1.466 1
1 287 . 11 1 1 A 24 24 ALA CA C 24 54.771 55.135 -0.364 1
1 288 . 11 1 1 A 24 24 ALA CB C 24 17.274 18.861 -1.587 1
1 289 . 11 1 1 A 24 24 ALA N N 24 122.440 120.262 2.178 1
1 290 . 11 1 1 A 25 25 THR H H 25 8.444 8.033 0.411 1
1 291 . 11 1 1 A 25 25 THR HA H 25 3.924 3.846 0.078 1
1 296 . 11 1 1 A 25 25 THR C C 25 176.695 176.095 0.600 1
1 297 . 11 1 1 A 25 25 THR CA C 25 66.636 66.357 0.279 1
1 298 . 11 1 1 A 25 25 THR CB C 25 68.177 68.493 -0.316 1
1 300 . 11 1 1 A 25 25 THR N N 25 117.219 113.416 3.803 1
1 301 . 11 1 1 A 26 26 ALA H H 26 7.755 7.759 -0.004 1
1 302 . 11 1 1 A 26 26 ALA HA H 26 3.427 3.623 -0.196 1
1 306 . 11 1 1 A 26 26 ALA C C 26 176.844 178.976 -2.132 1
1 307 . 11 1 1 A 26 26 ALA CA C 26 55.025 55.342 -0.317 1
1 308 . 11 1 1 A 26 26 ALA CB C 26 17.772 17.467 0.305 1
1 309 . 11 1 1 A 26 26 ALA N N 26 125.147 122.907 2.240 1
1 310 . 11 1 1 A 27 27 GLU H H 27 8.412 9.194 -0.782 1
1 311 . 11 1 1 A 27 27 GLU HA H 27 2.758 3.607 -0.849 1
1 316 . 11 1 1 A 27 27 GLU C C 27 177.417 178.660 -1.243 1
1 317 . 11 1 1 A 27 27 GLU CA C 27 59.932 59.161 0.771 1
1 318 . 11 1 1 A 27 27 GLU CB C 27 28.943 29.059 -0.116 1
1 320 . 11 1 1 A 27 27 GLU N N 27 119.203 118.288 0.915 1
1 321 . 11 1 1 A 28 28 LYS H H 28 7.013 7.781 -0.768 1
1 322 . 11 1 1 A 28 28 LYS HA H 28 3.626 4.003 -0.377 1
1 329 . 11 1 1 A 28 28 LYS C C 28 178.802 178.723 0.079 1
1 330 . 11 1 1 A 28 28 LYS CA C 28 59.572 58.692 0.880 1
1 331 . 11 1 1 A 28 28 LYS CB C 28 32.290 32.205 0.085 1
1 335 . 11 1 1 A 28 28 LYS N N 28 116.415 119.154 -2.739 1
1 336 . 11 1 1 A 29 29 TYR H H 29 7.815 8.371 -0.556 1
1 337 . 11 1 1 A 29 29 TYR HA H 29 3.841 4.248 -0.407 1
1 344 . 11 1 1 A 29 29 TYR C C 29 178.466 177.501 0.965 1
1 345 . 11 1 1 A 29 29 TYR CA C 29 61.703 61.640 0.063 1
1 346 . 11 1 1 A 29 29 TYR CB C 29 38.193 39.116 -0.923 1
1 351 . 11 1 1 A 29 29 TYR N N 29 119.360 120.927 -1.567 1
1 352 . 11 1 1 A 30 30 PHE H H 30 8.979 9.132 -0.153 1
1 353 . 11 1 1 A 30 30 PHE HA H 30 4.451 4.429 0.022 1
1 360 . 11 1 1 A 30 30 PHE C C 30 178.342 178.179 0.163 1
1 361 . 11 1 1 A 30 30 PHE CA C 30 59.395 61.878 -2.483 1
1 362 . 11 1 1 A 30 30 PHE CB C 30 37.451 38.410 -0.959 1
1 367 . 11 1 1 A 30 30 PHE N N 30 119.088 118.249 0.839 1
1 368 . 11 1 1 A 31 31 LYS H H 31 8.464 8.044 0.420 1
1 369 . 11 1 1 A 31 31 LYS HA H 31 3.983 4.445 -0.462 1
1 376 . 11 1 1 A 31 31 LYS C C 31 179.506 179.376 0.130 1
1 377 . 11 1 1 A 31 31 LYS CA C 31 60.031 59.437 0.594 1
1 378 . 11 1 1 A 31 31 LYS CB C 31 31.236 31.811 -0.575 1
1 381 . 11 1 1 A 31 31 LYS N N 31 122.220 121.275 0.945 1
1 382 . 11 1 1 A 32 32 LEU H H 32 7.314 8.020 -0.706 1
1 383 . 11 1 1 A 32 32 LEU HA H 32 3.990 4.014 -0.024 1
1 390 . 11 1 1 A 32 32 LEU C C 32 179.565 178.860 0.705 1
1 391 . 11 1 1 A 32 32 LEU CA C 32 58.069 57.609 0.460 1
1 392 . 11 1 1 A 32 32 LEU CB C 32 41.329 41.175 0.154 1
1 395 . 11 1 1 A 32 32 LEU N N 32 120.642 119.443 1.199 1
1 396 . 11 1 1 A 33 33 TYR H H 33 8.018 8.179 -0.161 1
1 397 . 11 1 1 A 33 33 TYR HA H 33 3.999 4.122 -0.123 1
1 405 . 11 1 1 A 33 33 TYR C C 33 177.598 177.656 -0.058 1
1 406 . 11 1 1 A 33 33 TYR CA C 33 61.107 61.623 -0.516 1
1 407 . 11 1 1 A 33 33 TYR CB C 33 39.081 39.105 -0.024 1
1 412 . 11 1 1 A 33 33 TYR N N 33 122.222 119.613 2.609 1
1 413 . 11 1 1 A 34 34 ALA H H 34 8.794 8.418 0.376 1
1 414 . 11 1 1 A 34 34 ALA HA H 34 3.783 4.076 -0.293 1
1 418 . 11 1 1 A 34 34 ALA C C 34 179.307 180.189 -0.882 1
1 419 . 11 1 1 A 34 34 ALA CA C 34 54.459 55.271 -0.812 1
1 420 . 11 1 1 A 34 34 ALA CB C 34 18.376 18.389 -0.013 1
1 421 . 11 1 1 A 34 34 ALA N N 34 119.675 121.638 -1.963 1
1 422 . 11 1 1 A 35 35 ASN H H 35 8.156 8.228 -0.072 1
1 423 . 11 1 1 A 35 35 ASN HA H 35 4.489 4.468 0.021 1
1 426 . 11 1 1 A 35 35 ASN C C 35 177.869 177.228 0.641 1
1 427 . 11 1 1 A 35 35 ASN CA C 35 56.410 55.678 0.732 1
1 428 . 11 1 1 A 35 35 ASN CB C 35 38.339 38.639 -0.300 1
1 429 . 11 1 1 A 35 35 ASN N N 35 117.882 117.257 0.625 1
1 430 . 11 1 1 A 36 36 ALA H H 36 7.804 7.663 0.141 1
1 431 . 11 1 1 A 36 36 ALA HA H 36 4.087 4.063 0.024 1
1 435 . 11 1 1 A 36 36 ALA C C 36 178.579 179.723 -1.144 1
1 436 . 11 1 1 A 36 36 ALA CA C 36 53.893 55.035 -1.142 1
1 437 . 11 1 1 A 36 36 ALA CB C 36 17.782 18.692 -0.910 1
1 438 . 11 1 1 A 36 36 ALA N N 36 121.244 121.588 -0.344 1
1 439 . 11 1 1 A 37 37 LYS H H 37 7.380 8.450 -1.070 1
1 440 . 11 1 1 A 37 37 LYS HA H 37 4.164 3.971 0.193 1
1 447 . 11 1 1 A 37 37 LYS C C 37 175.831 177.472 -1.641 1
1 448 . 11 1 1 A 37 37 LYS CA C 37 56.020 59.037 -3.017 1
1 449 . 11 1 1 A 37 37 LYS CB C 37 32.876 31.913 0.963 1
1 453 . 11 1 1 A 37 37 LYS N N 37 116.585 117.412 -0.827 1
1 454 . 11 1 1 A 38 38 THR H H 38 7.891 7.772 0.119 1
1 455 . 11 1 1 A 38 38 THR HA H 38 4.144 4.602 -0.458 1
1 460 . 11 1 1 A 38 38 THR C C 38 172.820 173.382 -0.562 1
1 461 . 11 1 1 A 38 38 THR CA C 38 61.719 61.101 0.618 1
1 462 . 11 1 1 A 38 38 THR CB C 38 68.688 69.270 -0.582 1
1 464 . 11 1 1 A 38 38 THR N N 38 113.375 111.862 1.513 1
1 465 . 11 1 1 A 39 39 VAL H H 39 7.939 8.384 -0.445 1
1 466 . 11 1 1 A 39 39 VAL HA H 39 4.148 4.797 -0.649 1
1 471 . 11 1 1 A 39 39 VAL C C 39 174.525 174.617 -0.092 1
1 472 . 11 1 1 A 39 39 VAL CA C 39 62.125 60.026 2.099 1
1 473 . 11 1 1 A 39 39 VAL CB C 39 32.720 34.327 -1.607 1
1 475 . 11 1 1 A 39 39 VAL N N 39 120.564 120.781 -0.217 1
1 476 . 11 1 1 A 40 40 GLU H H 40 8.586 8.707 -0.121 1
1 477 . 11 1 1 A 40 40 GLU HA H 40 4.533 4.915 -0.382 1
1 482 . 11 1 1 A 40 40 GLU C C 40 175.158 175.293 -0.135 1
1 483 . 11 1 1 A 40 40 GLU CA C 40 55.211 55.465 -0.254 1
1 484 . 11 1 1 A 40 40 GLU CB C 40 31.130 30.611 0.519 1
1 486 . 11 1 1 A 40 40 GLU N N 40 126.113 123.687 2.426 1
1 487 . 11 1 1 A 41 41 GLY H H 41 8.042 8.586 -0.544 1
1 488 . 11 1 1 A 41 41 GLY HA2 H 41 4.059 4.044 0.015 1
1 489 . 11 1 1 A 41 41 GLY HA3 H 41 3.533 4.102 -0.569 1
1 490 . 11 1 1 A 41 41 GLY C C 41 174.994 173.307 1.687 1
1 491 . 11 1 1 A 41 41 GLY CA C 41 45.300 44.582 0.718 1
1 492 . 11 1 1 A 41 41 GLY N N 41 107.727 110.660 -2.933 1
1 493 . 11 1 1 A 42 42 VAL H H 42 8.349 8.569 -0.220 1
1 494 . 11 1 1 A 42 42 VAL HA H 42 4.303 4.196 0.107 1
1 499 . 11 1 1 A 42 42 VAL C C 42 176.649 175.189 1.460 1
1 500 . 11 1 1 A 42 42 VAL CA C 42 62.243 62.769 -0.526 1
1 501 . 11 1 1 A 42 42 VAL CB C 42 33.763 32.356 1.407 1
1 503 . 11 1 1 A 42 42 VAL N N 42 121.379 121.335 0.044 1
1 504 . 11 1 1 A 43 43 TRP H H 43 9.250 9.071 0.179 1
1 505 . 11 1 1 A 43 43 TRP HA H 43 5.104 5.590 -0.486 1
1 514 . 11 1 1 A 43 43 TRP C C 43 177.089 175.712 1.377 1
1 515 . 11 1 1 A 43 43 TRP CA C 43 57.991 55.754 2.237 1
1 516 . 11 1 1 A 43 43 TRP CB C 43 29.904 33.314 -3.410 1
1 521 . 11 1 1 A 43 43 TRP N N 43 130.568 125.805 4.763 1
1 523 . 11 1 1 A 44 44 THR H H 44 9.219 9.259 -0.040 1
1 524 . 11 1 1 A 44 44 THR HA H 44 4.694 5.247 -0.553 1
1 529 . 11 1 1 A 44 44 THR C C 44 172.706 172.474 0.232 1
1 530 . 11 1 1 A 44 44 THR CA C 44 60.957 60.732 0.225 1
1 531 . 11 1 1 A 44 44 THR CB C 44 72.616 71.925 0.691 1
1 533 . 11 1 1 A 44 44 THR N N 44 114.918 113.117 1.801 1
1 534 . 11 1 1 A 45 45 TYR H H 45 8.553 8.909 -0.356 1
1 535 . 11 1 1 A 45 45 TYR HA H 45 5.002 5.228 -0.226 1
1 540 . 11 1 1 A 45 45 TYR C C 45 173.745 173.812 -0.067 1
1 541 . 11 1 1 A 45 45 TYR CA C 45 57.249 56.197 1.052 1
1 542 . 11 1 1 A 45 45 TYR CB C 45 41.719 42.233 -0.514 1
1 545 . 11 1 1 A 45 45 TYR N N 45 121.490 123.674 -2.184 1
1 546 . 11 1 1 A 46 46 LYS H H 46 7.348 7.970 -0.622 1
1 547 . 11 1 1 A 46 46 LYS HA H 46 4.222 4.645 -0.423 1
1 554 . 11 1 1 A 46 46 LYS C C 46 175.715 175.309 0.406 1
1 555 . 11 1 1 A 46 46 LYS CA C 46 53.576 54.430 -0.854 1
1 556 . 11 1 1 A 46 46 LYS CB C 46 33.582 34.906 -1.324 1
1 560 . 11 1 1 A 46 46 LYS N N 46 129.620 125.252 4.368 1
1 561 . 11 1 1 A 47 47 ASP H H 47 8.578 8.839 -0.261 1
1 562 . 11 1 1 A 47 47 ASP HA H 47 4.126 4.804 -0.678 1
1 565 . 11 1 1 A 47 47 ASP C C 47 179.207 176.792 2.415 1
1 566 . 11 1 1 A 47 47 ASP CA C 47 57.191 53.789 3.402 1
1 567 . 11 1 1 A 47 47 ASP CB C 47 41.969 41.036 0.933 1
1 568 . 11 1 1 A 47 47 ASP N N 47 125.757 126.086 -0.329 1
1 569 . 11 1 1 A 48 48 GLU H H 48 9.445 8.000 1.445 1
1 570 . 11 1 1 A 48 48 GLU HA H 48 3.918 4.244 -0.326 1
1 575 . 11 1 1 A 48 48 GLU C C 48 177.578 176.950 0.628 1
1 576 . 11 1 1 A 48 48 GLU CA C 48 60.066 57.663 2.403 1
1 577 . 11 1 1 A 48 48 GLU CB C 48 29.343 30.676 -1.333 1
1 579 . 11 1 1 A 48 48 GLU N N 48 117.612 119.077 -1.465 1
1 580 . 11 1 1 A 49 49 THR H H 49 6.624 7.574 -0.950 1
1 581 . 11 1 1 A 49 49 THR HA H 49 4.414 4.501 -0.087 1
1 586 . 11 1 1 A 49 49 THR C C 49 175.232 173.859 1.373 1
1 587 . 11 1 1 A 49 49 THR CA C 49 59.873 60.876 -1.003 1
1 588 . 11 1 1 A 49 49 THR CB C 49 69.188 69.885 -0.697 1
1 590 . 11 1 1 A 49 49 THR N N 49 103.078 109.799 -6.721 1
1 591 . 11 1 1 A 50 50 LYS H H 50 7.828 7.841 -0.013 1
1 592 . 11 1 1 A 50 50 LYS HA H 50 4.139 4.229 -0.090 1
1 597 . 11 1 1 A 50 50 LYS C C 50 174.786 175.043 -0.257 1
1 598 . 11 1 1 A 50 50 LYS CA C 50 55.981 56.697 -0.716 1
1 599 . 11 1 1 A 50 50 LYS CB C 50 29.258 30.564 -1.306 1
1 602 . 11 1 1 A 50 50 LYS N N 50 123.628 117.891 5.737 1
1 603 . 11 1 1 A 51 51 THR H H 51 7.216 7.313 -0.097 1
1 604 . 11 1 1 A 51 51 THR HA H 51 5.433 5.312 0.121 1
1 609 . 11 1 1 A 51 51 THR C C 51 174.574 173.306 1.268 1
1 610 . 11 1 1 A 51 51 THR CA C 51 62.224 61.401 0.823 1
1 611 . 11 1 1 A 51 51 THR CB C 51 72.346 71.749 0.597 1
1 613 . 11 1 1 A 51 51 THR N N 51 110.763 114.474 -3.711 1
1 614 . 11 1 1 A 52 52 PHE H H 52 10.222 9.635 0.587 1
1 615 . 11 1 1 A 52 52 PHE HA H 52 5.447 5.505 -0.058 1
1 622 . 11 1 1 A 52 52 PHE C C 52 174.401 175.195 -0.794 1
1 623 . 11 1 1 A 52 52 PHE CA C 52 57.269 57.471 -0.202 1
1 624 . 11 1 1 A 52 52 PHE CB C 52 42.143 41.949 0.194 1
1 629 . 11 1 1 A 52 52 PHE N N 52 130.993 125.525 5.468 1
1 630 . 11 1 1 A 53 53 THR H H 53 9.099 9.150 -0.051 1
1 631 . 11 1 1 A 53 53 THR HA H 53 5.108 5.035 0.073 1
1 636 . 11 1 1 A 53 53 THR C C 53 172.565 172.121 0.444 1
1 637 . 11 1 1 A 53 53 THR CA C 53 61.737 60.612 1.125 1
1 638 . 11 1 1 A 53 53 THR CB C 53 70.663 71.348 -0.685 1
1 640 . 11 1 1 A 53 53 THR N N 53 117.968 115.233 2.735 1
1 641 . 11 1 1 A 54 54 VAL H H 54 8.496 8.582 -0.086 1
1 642 . 11 1 1 A 54 54 VAL HA H 54 4.410 5.143 -0.733 1
1 650 . 11 1 1 A 54 54 VAL C C 54 173.790 172.923 0.867 1
1 651 . 11 1 1 A 54 54 VAL CA C 54 59.103 59.984 -0.881 1
1 652 . 11 1 1 A 54 54 VAL CB C 54 32.651 33.763 -1.112 1
1 655 . 11 1 1 A 54 54 VAL N N 54 125.071 126.988 -1.917 1
1 656 . 11 1 1 A 55 55 THR H H 55 8.265 8.732 -0.467 1
1 657 . 11 1 1 A 55 55 THR HA H 55 4.792 4.848 -0.056 1
1 662 . 11 1 1 A 55 55 THR C C 55 173.789 172.650 1.139 1
1 663 . 11 1 1 A 55 55 THR CA C 55 61.035 59.239 1.796 1
1 664 . 11 1 1 A 55 55 THR CB C 55 71.261 71.639 -0.378 1
1 666 . 11 1 1 A 55 55 THR N N 55 122.202 122.861 -0.659 1
1 10 . 12 1 1 A 2 2 THR H H 2 8.719 8.672 0.047 1
1 11 . 12 1 1 A 2 2 THR HA H 2 4.251 4.401 -0.150 1
1 16 . 12 1 1 A 2 2 THR C C 2 172.951 173.993 -1.042 1
1 17 . 12 1 1 A 2 2 THR CA C 2 63.748 63.234 0.514 1
1 18 . 12 1 1 A 2 2 THR CB C 2 68.568 68.686 -0.118 1
1 20 . 12 1 1 A 2 2 THR N N 2 123.894 118.505 5.389 1
1 21 . 12 1 1 A 3 3 TYR H H 3 8.841 9.527 -0.686 1
1 22 . 12 1 1 A 3 3 TYR HA H 3 5.289 5.114 0.175 1
1 29 . 12 1 1 A 3 3 TYR C C 3 173.975 174.924 -0.949 1
1 30 . 12 1 1 A 3 3 TYR CA C 3 57.850 56.967 0.883 1
1 31 . 12 1 1 A 3 3 TYR CB C 3 43.043 40.867 2.176 1
1 36 . 12 1 1 A 3 3 TYR N N 3 127.370 127.596 -0.226 1
1 37 . 12 1 1 A 4 4 LYS H H 4 8.791 8.992 -0.201 1
1 38 . 12 1 1 A 4 4 LYS HA H 4 5.344 5.400 -0.056 1
1 43 . 12 1 1 A 4 4 LYS C C 4 173.055 174.311 -1.256 1
1 44 . 12 1 1 A 4 4 LYS CA C 4 54.537 55.014 -0.477 1
1 45 . 12 1 1 A 4 4 LYS CB C 4 35.881 35.779 0.102 1
1 48 . 12 1 1 A 4 4 LYS N N 4 121.038 123.430 -2.392 1
1 49 . 12 1 1 A 5 5 LEU H H 5 9.005 9.300 -0.295 1
1 50 . 12 1 1 A 5 5 LEU HA H 5 4.889 5.235 -0.346 1
1 60 . 12 1 1 A 5 5 LEU C C 5 174.789 174.165 0.624 1
1 61 . 12 1 1 A 5 5 LEU CA C 5 52.566 52.761 -0.195 1
1 62 . 12 1 1 A 5 5 LEU CB C 5 44.174 44.862 -0.688 1
1 65 . 12 1 1 A 5 5 LEU N N 5 126.547 128.421 -1.874 1
1 66 . 12 1 1 A 6 6 ILE H H 6 9.104 8.861 0.243 1
1 67 . 12 1 1 A 6 6 ILE HA H 6 4.970 4.940 0.030 1
1 71 . 12 1 1 A 6 6 ILE C C 6 174.690 173.397 1.293 1
1 72 . 12 1 1 A 6 6 ILE CA C 6 60.313 59.206 1.107 1
1 73 . 12 1 1 A 6 6 ILE CB C 6 38.652 41.601 -2.949 1
1 76 . 12 1 1 A 6 6 ILE N N 6 126.502 125.325 1.177 1
1 77 . 12 1 1 A 7 7 LEU H H 7 8.907 9.025 -0.118 1
1 78 . 12 1 1 A 7 7 LEU HA H 7 4.452 5.577 -1.125 1
1 88 . 12 1 1 A 7 7 LEU C C 7 174.573 175.477 -0.904 1
1 89 . 12 1 1 A 7 7 LEU CA C 7 54.010 53.162 0.848 1
1 90 . 12 1 1 A 7 7 LEU CB C 7 41.072 45.717 -4.645 1
1 93 . 12 1 1 A 7 7 LEU N N 7 126.037 129.167 -3.130 1
1 94 . 12 1 1 A 8 8 ASN H H 8 8.941 8.738 0.203 1
1 95 . 12 1 1 A 8 8 ASN HA H 8 4.943 5.402 -0.459 1
1 100 . 12 1 1 A 8 8 ASN C C 8 174.323 174.638 -0.315 1
1 101 . 12 1 1 A 8 8 ASN CA C 8 51.785 52.025 -0.240 1
1 102 . 12 1 1 A 8 8 ASN CB C 8 38.008 40.859 -2.851 1
1 103 . 12 1 1 A 8 8 ASN N N 8 125.436 122.074 3.362 1
1 105 . 12 1 1 A 9 9 LEU H H 9 7.636 8.801 -1.165 1
1 106 . 12 1 1 A 9 9 LEU HA H 9 4.548 4.909 -0.361 1
1 113 . 12 1 1 A 9 9 LEU C C 9 177.230 176.558 0.672 1
1 114 . 12 1 1 A 9 9 LEU CA C 9 53.502 53.310 0.192 1
1 115 . 12 1 1 A 9 9 LEU CB C 9 41.569 43.456 -1.887 1
1 118 . 12 1 1 A 9 9 LEU N N 9 121.638 125.323 -3.685 1
1 119 . 12 1 1 A 10 10 LYS H H 10 9.138 8.459 0.679 1
1 120 . 12 1 1 A 10 10 LYS HA H 10 3.964 4.415 -0.451 1
1 127 . 12 1 1 A 10 10 LYS C C 10 179.119 176.555 2.564 1
1 128 . 12 1 1 A 10 10 LYS CA C 10 59.786 55.592 4.194 1
1 129 . 12 1 1 A 10 10 LYS CB C 10 31.825 31.041 0.784 1
1 133 . 12 1 1 A 10 10 LYS N N 10 120.948 122.023 -1.075 1
1 134 . 12 1 1 A 11 11 GLN H H 11 8.432 7.861 0.571 1
1 135 . 12 1 1 A 11 11 GLN HA H 11 4.325 4.491 -0.166 1
1 140 . 12 1 1 A 11 11 GLN C C 11 175.294 175.254 0.040 1
1 141 . 12 1 1 A 11 11 GLN CA C 11 55.903 56.051 -0.148 1
1 142 . 12 1 1 A 11 11 GLN CB C 11 29.207 30.838 -1.631 1
1 144 . 12 1 1 A 11 11 GLN N N 11 113.252 118.888 -5.636 1
1 145 . 12 1 1 A 12 12 ALA H H 12 7.079 7.661 -0.582 1
1 146 . 12 1 1 A 12 12 ALA HA H 12 4.318 4.825 -0.507 1
1 150 . 12 1 1 A 12 12 ALA C C 12 174.190 175.309 -1.119 1
1 151 . 12 1 1 A 12 12 ALA CA C 12 52.507 51.485 1.022 1
1 152 . 12 1 1 A 12 12 ALA CB C 12 21.479 23.011 -1.532 1
1 153 . 12 1 1 A 12 12 ALA N N 12 120.435 120.453 -0.018 1
1 154 . 12 1 1 A 13 13 LYS H H 13 8.156 8.689 -0.533 1
1 155 . 12 1 1 A 13 13 LYS HA H 13 5.197 4.966 0.231 1
1 162 . 12 1 1 A 13 13 LYS C C 13 176.127 175.752 0.375 1
1 163 . 12 1 1 A 13 13 LYS CA C 13 55.036 54.688 0.348 1
1 164 . 12 1 1 A 13 13 LYS CB C 13 33.890 34.496 -0.606 1
1 168 . 12 1 1 A 13 13 LYS N N 13 120.644 120.050 0.594 1
1 169 . 12 1 1 A 14 14 GLU H H 14 8.545 9.009 -0.464 1
1 170 . 12 1 1 A 14 14 GLU HA H 14 4.629 5.222 -0.593 1
1 175 . 12 1 1 A 14 14 GLU C C 14 173.875 175.516 -1.641 1
1 176 . 12 1 1 A 14 14 GLU CA C 14 54.680 54.684 -0.004 1
1 177 . 12 1 1 A 14 14 GLU CB C 14 34.319 33.072 1.247 1
1 179 . 12 1 1 A 14 14 GLU N N 14 123.133 123.713 -0.580 1
1 180 . 12 1 1 A 15 15 GLU H H 15 8.532 9.079 -0.547 1
1 181 . 12 1 1 A 15 15 GLU HA H 15 5.465 5.183 0.282 1
1 186 . 12 1 1 A 15 15 GLU C C 15 175.284 174.787 0.497 1
1 188 . 12 1 1 A 15 15 GLU N N 15 120.437 120.617 -0.180 1
1 189 . 12 1 1 A 16 16 ALA H H 16 9.161 8.773 0.388 1
1 190 . 12 1 1 A 16 16 ALA HA H 16 4.731 5.081 -0.350 1
1 194 . 12 1 1 A 16 16 ALA C C 16 174.936 175.300 -0.364 1
1 195 . 12 1 1 A 16 16 ALA CA C 16 51.278 50.768 0.510 1
1 196 . 12 1 1 A 16 16 ALA CB C 16 22.037 24.212 -2.175 1
1 197 . 12 1 1 A 16 16 ALA N N 16 126.588 121.480 5.108 1
1 198 . 12 1 1 A 17 17 ILE H H 17 8.387 8.876 -0.489 1
1 199 . 12 1 1 A 17 17 ILE HA H 17 5.325 5.180 0.145 1
1 206 . 12 1 1 A 17 17 ILE C C 17 176.066 173.537 2.529 1
1 210 . 12 1 1 A 17 17 ILE N N 17 117.620 119.497 -1.877 1
1 211 . 12 1 1 A 18 18 LYS H H 18 9.152 9.982 -0.830 1
1 212 . 12 1 1 A 18 18 LYS HA H 18 4.385 4.877 -0.492 1
1 221 . 12 1 1 A 18 18 LYS C C 18 173.587 175.290 -1.703 1
1 222 . 12 1 1 A 18 18 LYS CA C 18 55.084 53.988 1.096 1
1 223 . 12 1 1 A 18 18 LYS CB C 18 36.862 36.076 0.786 1
1 227 . 12 1 1 A 18 18 LYS N N 18 125.563 127.911 -2.348 1
1 228 . 12 1 1 A 19 19 GLU H H 19 8.337 8.645 -0.308 1
1 229 . 12 1 1 A 19 19 GLU HA H 19 4.907 5.126 -0.219 1
1 234 . 12 1 1 A 19 19 GLU C C 19 175.687 174.925 0.762 1
1 235 . 12 1 1 A 19 19 GLU CA C 19 55.679 54.839 0.840 1
1 236 . 12 1 1 A 19 19 GLU CB C 19 29.158 31.771 -2.613 1
1 238 . 12 1 1 A 19 19 GLU N N 19 127.836 118.383 9.453 1
1 239 . 12 1 1 A 20 20 LEU H H 20 8.710 8.564 0.146 1
1 240 . 12 1 1 A 20 20 LEU HA H 20 4.798 4.868 -0.070 1
1 247 . 12 1 1 A 20 20 LEU C C 20 177.829 176.628 1.201 1
1 248 . 12 1 1 A 20 20 LEU CA C 20 53.519 53.125 0.394 1
1 249 . 12 1 1 A 20 20 LEU CB C 20 47.902 45.244 2.658 1
1 252 . 12 1 1 A 20 20 LEU N N 20 127.240 123.943 3.297 1
1 253 . 12 1 1 A 21 21 VAL H H 21 8.236 8.663 -0.427 1
1 254 . 12 1 1 A 21 21 VAL HA H 21 3.947 4.336 -0.389 1
1 259 . 12 1 1 A 21 21 VAL C C 21 175.301 175.302 -0.001 1
1 260 . 12 1 1 A 21 21 VAL CA C 21 64.879 62.612 2.267 1
1 261 . 12 1 1 A 21 21 VAL CB C 21 32.290 33.049 -0.759 1
1 263 . 12 1 1 A 21 21 VAL N N 21 116.513 118.508 -1.995 1
1 264 . 12 1 1 A 22 22 ASP H H 22 7.071 7.896 -0.825 1
1 265 . 12 1 1 A 22 22 ASP HA H 22 4.028 5.133 -1.105 1
1 268 . 12 1 1 A 22 22 ASP C C 22 172.221 175.585 -3.364 1
1 269 . 12 1 1 A 22 22 ASP CA C 22 52.983 52.843 0.140 1
1 270 . 12 1 1 A 22 22 ASP CB C 22 42.107 43.844 -1.737 1
1 271 . 12 1 1 A 22 22 ASP N N 22 115.040 120.381 -5.341 1
1 272 . 12 1 1 A 23 23 ALA H H 23 8.332 8.889 -0.557 1
1 273 . 12 1 1 A 23 23 ALA HA H 23 4.136 3.810 0.326 1
1 277 . 12 1 1 A 23 23 ALA C C 23 179.560 179.431 0.129 1
1 278 . 12 1 1 A 23 23 ALA CA C 23 55.215 54.880 0.335 1
1 279 . 12 1 1 A 23 23 ALA CB C 23 17.337 18.388 -1.051 1
1 280 . 12 1 1 A 23 23 ALA N N 23 121.322 122.913 -1.591 1
1 281 . 12 1 1 A 24 24 ALA H H 24 8.168 8.068 0.100 1
1 282 . 12 1 1 A 24 24 ALA HA H 24 4.000 4.070 -0.070 1
1 286 . 12 1 1 A 24 24 ALA C C 24 181.170 179.821 1.349 1
1 287 . 12 1 1 A 24 24 ALA CA C 24 54.771 55.206 -0.435 1
1 288 . 12 1 1 A 24 24 ALA CB C 24 17.274 18.841 -1.567 1
1 289 . 12 1 1 A 24 24 ALA N N 24 122.440 120.561 1.879 1
1 290 . 12 1 1 A 25 25 THR H H 25 8.444 7.754 0.690 1
1 291 . 12 1 1 A 25 25 THR HA H 25 3.924 3.860 0.064 1
1 296 . 12 1 1 A 25 25 THR C C 25 176.695 176.737 -0.042 1
1 297 . 12 1 1 A 25 25 THR CA C 25 66.636 65.477 1.159 1
1 298 . 12 1 1 A 25 25 THR CB C 25 68.177 68.285 -0.108 1
1 300 . 12 1 1 A 25 25 THR N N 25 117.219 112.690 4.529 1
1 301 . 12 1 1 A 26 26 ALA H H 26 7.755 7.790 -0.035 1
1 302 . 12 1 1 A 26 26 ALA HA H 26 3.427 3.579 -0.152 1
1 306 . 12 1 1 A 26 26 ALA C C 26 176.844 178.883 -2.039 1
1 307 . 12 1 1 A 26 26 ALA CA C 26 55.025 55.159 -0.134 1
1 308 . 12 1 1 A 26 26 ALA CB C 26 17.772 17.443 0.329 1
1 309 . 12 1 1 A 26 26 ALA N N 26 125.147 122.531 2.616 1
1 310 . 12 1 1 A 27 27 GLU H H 27 8.412 9.085 -0.673 1
1 311 . 12 1 1 A 27 27 GLU HA H 27 2.758 3.711 -0.953 1
1 316 . 12 1 1 A 27 27 GLU C C 27 177.417 178.842 -1.425 1
1 317 . 12 1 1 A 27 27 GLU CA C 27 59.932 59.332 0.600 1
1 318 . 12 1 1 A 27 27 GLU CB C 27 28.943 29.054 -0.111 1
1 320 . 12 1 1 A 27 27 GLU N N 27 119.203 118.633 0.570 1
1 321 . 12 1 1 A 28 28 LYS H H 28 7.013 7.601 -0.588 1
1 322 . 12 1 1 A 28 28 LYS HA H 28 3.626 4.018 -0.392 1
1 329 . 12 1 1 A 28 28 LYS C C 28 178.802 178.522 0.280 1
1 330 . 12 1 1 A 28 28 LYS CA C 28 59.572 58.824 0.748 1
1 331 . 12 1 1 A 28 28 LYS CB C 28 32.290 32.416 -0.126 1
1 335 . 12 1 1 A 28 28 LYS N N 28 116.415 119.228 -2.813 1
1 336 . 12 1 1 A 29 29 TYR H H 29 7.815 8.255 -0.440 1
1 337 . 12 1 1 A 29 29 TYR HA H 29 3.841 4.234 -0.393 1
1 344 . 12 1 1 A 29 29 TYR C C 29 178.466 177.546 0.920 1
1 345 . 12 1 1 A 29 29 TYR CA C 29 61.703 61.533 0.170 1
1 346 . 12 1 1 A 29 29 TYR CB C 29 38.193 38.739 -0.546 1
1 351 . 12 1 1 A 29 29 TYR N N 29 119.360 120.625 -1.265 1
1 352 . 12 1 1 A 30 30 PHE H H 30 8.979 9.137 -0.158 1
1 353 . 12 1 1 A 30 30 PHE HA H 30 4.451 4.349 0.102 1
1 360 . 12 1 1 A 30 30 PHE C C 30 178.342 178.182 0.160 1
1 361 . 12 1 1 A 30 30 PHE CA C 30 59.395 61.982 -2.587 1
1 362 . 12 1 1 A 30 30 PHE CB C 30 37.451 38.676 -1.225 1
1 367 . 12 1 1 A 30 30 PHE N N 30 119.088 118.294 0.794 1
1 368 . 12 1 1 A 31 31 LYS H H 31 8.464 8.044 0.420 1
1 369 . 12 1 1 A 31 31 LYS HA H 31 3.983 4.462 -0.479 1
1 376 . 12 1 1 A 31 31 LYS C C 31 179.506 179.225 0.281 1
1 377 . 12 1 1 A 31 31 LYS CA C 31 60.031 59.476 0.555 1
1 378 . 12 1 1 A 31 31 LYS CB C 31 31.236 32.094 -0.858 1
1 381 . 12 1 1 A 31 31 LYS N N 31 122.220 119.664 2.556 1
1 382 . 12 1 1 A 32 32 LEU H H 32 7.314 7.940 -0.626 1
1 383 . 12 1 1 A 32 32 LEU HA H 32 3.990 4.112 -0.122 1
1 390 . 12 1 1 A 32 32 LEU C C 32 179.565 179.009 0.556 1
1 391 . 12 1 1 A 32 32 LEU CA C 32 58.069 57.415 0.654 1
1 392 . 12 1 1 A 32 32 LEU CB C 32 41.329 41.447 -0.118 1
1 395 . 12 1 1 A 32 32 LEU N N 32 120.642 119.486 1.156 1
1 396 . 12 1 1 A 33 33 TYR H H 33 8.018 8.153 -0.135 1
1 397 . 12 1 1 A 33 33 TYR HA H 33 3.999 4.107 -0.108 1
1 405 . 12 1 1 A 33 33 TYR C C 33 177.598 177.944 -0.346 1
1 406 . 12 1 1 A 33 33 TYR CA C 33 61.107 61.743 -0.636 1
1 407 . 12 1 1 A 33 33 TYR CB C 33 39.081 38.974 0.107 1
1 412 . 12 1 1 A 33 33 TYR N N 33 122.222 119.469 2.753 1
1 413 . 12 1 1 A 34 34 ALA H H 34 8.794 8.582 0.212 1
1 414 . 12 1 1 A 34 34 ALA HA H 34 3.783 4.173 -0.390 1
1 418 . 12 1 1 A 34 34 ALA C C 34 179.307 179.132 0.175 1
1 419 . 12 1 1 A 34 34 ALA CA C 34 54.459 54.939 -0.480 1
1 420 . 12 1 1 A 34 34 ALA CB C 34 18.376 18.360 0.016 1
1 421 . 12 1 1 A 34 34 ALA N N 34 119.675 121.595 -1.920 1
1 422 . 12 1 1 A 35 35 ASN H H 35 8.156 7.554 0.602 1
1 423 . 12 1 1 A 35 35 ASN HA H 35 4.489 4.637 -0.148 1
1 426 . 12 1 1 A 35 35 ASN C C 35 177.869 176.469 1.400 1
1 427 . 12 1 1 A 35 35 ASN CA C 35 56.410 55.398 1.012 1
1 428 . 12 1 1 A 35 35 ASN CB C 35 38.339 38.962 -0.623 1
1 429 . 12 1 1 A 35 35 ASN N N 35 117.882 116.121 1.761 1
1 430 . 12 1 1 A 36 36 ALA H H 36 7.804 7.572 0.232 1
1 431 . 12 1 1 A 36 36 ALA HA H 36 4.087 4.161 -0.074 1
1 435 . 12 1 1 A 36 36 ALA C C 36 178.579 178.047 0.532 1
1 436 . 12 1 1 A 36 36 ALA CA C 36 53.893 53.297 0.596 1
1 437 . 12 1 1 A 36 36 ALA CB C 36 17.782 19.017 -1.235 1
1 438 . 12 1 1 A 36 36 ALA N N 36 121.244 121.964 -0.720 1
1 439 . 12 1 1 A 37 37 LYS H H 37 7.380 8.158 -0.778 1
1 440 . 12 1 1 A 37 37 LYS HA H 37 4.164 4.192 -0.028 1
1 447 . 12 1 1 A 37 37 LYS C C 37 175.831 177.032 -1.201 1
1 448 . 12 1 1 A 37 37 LYS CA C 37 56.020 57.597 -1.577 1
1 449 . 12 1 1 A 37 37 LYS CB C 37 32.876 32.557 0.319 1
1 453 . 12 1 1 A 37 37 LYS N N 37 116.585 115.230 1.355 1
1 454 . 12 1 1 A 38 38 THR H H 38 7.891 7.657 0.234 1
1 455 . 12 1 1 A 38 38 THR HA H 38 4.144 4.719 -0.575 1
1 460 . 12 1 1 A 38 38 THR C C 38 172.820 173.275 -0.455 1
1 461 . 12 1 1 A 38 38 THR CA C 38 61.719 60.940 0.779 1
1 462 . 12 1 1 A 38 38 THR CB C 38 68.688 69.691 -1.003 1
1 464 . 12 1 1 A 38 38 THR N N 38 113.375 110.516 2.859 1
1 465 . 12 1 1 A 39 39 VAL H H 39 7.939 8.496 -0.557 1
1 466 . 12 1 1 A 39 39 VAL HA H 39 4.148 4.860 -0.712 1
1 471 . 12 1 1 A 39 39 VAL C C 39 174.525 174.676 -0.151 1
1 472 . 12 1 1 A 39 39 VAL CA C 39 62.125 59.749 2.376 1
1 473 . 12 1 1 A 39 39 VAL CB C 39 32.720 34.538 -1.818 1
1 475 . 12 1 1 A 39 39 VAL N N 39 120.564 120.347 0.217 1
1 476 . 12 1 1 A 40 40 GLU H H 40 8.586 8.703 -0.117 1
1 477 . 12 1 1 A 40 40 GLU HA H 40 4.533 5.047 -0.514 1
1 482 . 12 1 1 A 40 40 GLU C C 40 175.158 175.450 -0.292 1
1 483 . 12 1 1 A 40 40 GLU CA C 40 55.211 55.537 -0.326 1
1 484 . 12 1 1 A 40 40 GLU CB C 40 31.130 30.743 0.387 1
1 486 . 12 1 1 A 40 40 GLU N N 40 126.113 123.103 3.010 1
1 487 . 12 1 1 A 41 41 GLY H H 41 8.042 8.493 -0.451 1
1 488 . 12 1 1 A 41 41 GLY HA2 H 41 4.059 4.119 -0.060 1
1 489 . 12 1 1 A 41 41 GLY HA3 H 41 3.533 4.174 -0.641 1
1 490 . 12 1 1 A 41 41 GLY C C 41 174.994 173.517 1.477 1
1 491 . 12 1 1 A 41 41 GLY CA C 41 45.300 44.565 0.735 1
1 492 . 12 1 1 A 41 41 GLY N N 41 107.727 110.607 -2.880 1
1 493 . 12 1 1 A 42 42 VAL H H 42 8.349 9.011 -0.662 1
1 494 . 12 1 1 A 42 42 VAL HA H 42 4.303 4.356 -0.053 1
1 499 . 12 1 1 A 42 42 VAL C C 42 176.649 175.919 0.730 1
1 500 . 12 1 1 A 42 42 VAL CA C 42 62.243 61.802 0.441 1
1 501 . 12 1 1 A 42 42 VAL CB C 42 33.763 31.536 2.227 1
1 503 . 12 1 1 A 42 42 VAL N N 42 121.379 118.272 3.107 1
1 504 . 12 1 1 A 43 43 TRP H H 43 9.250 9.142 0.108 1
1 505 . 12 1 1 A 43 43 TRP HA H 43 5.104 5.122 -0.018 1
1 514 . 12 1 1 A 43 43 TRP C C 43 177.089 176.437 0.652 1
1 515 . 12 1 1 A 43 43 TRP CA C 43 57.991 57.193 0.798 1
1 516 . 12 1 1 A 43 43 TRP CB C 43 29.904 31.105 -1.201 1
1 521 . 12 1 1 A 43 43 TRP N N 43 130.568 128.890 1.678 1
1 523 . 12 1 1 A 44 44 THR H H 44 9.219 8.606 0.613 1
1 524 . 12 1 1 A 44 44 THR HA H 44 4.694 5.115 -0.421 1
1 529 . 12 1 1 A 44 44 THR C C 44 172.706 173.389 -0.683 1
1 530 . 12 1 1 A 44 44 THR CA C 44 60.957 60.129 0.828 1
1 531 . 12 1 1 A 44 44 THR CB C 44 72.616 71.706 0.910 1
1 533 . 12 1 1 A 44 44 THR N N 44 114.918 113.012 1.906 1
1 534 . 12 1 1 A 45 45 TYR H H 45 8.553 8.806 -0.253 1
1 535 . 12 1 1 A 45 45 TYR HA H 45 5.002 5.203 -0.201 1
1 540 . 12 1 1 A 45 45 TYR C C 45 173.745 173.797 -0.052 1
1 541 . 12 1 1 A 45 45 TYR CA C 45 57.249 56.519 0.730 1
1 542 . 12 1 1 A 45 45 TYR CB C 45 41.719 42.370 -0.651 1
1 545 . 12 1 1 A 45 45 TYR N N 45 121.490 124.786 -3.296 1
1 546 . 12 1 1 A 46 46 LYS H H 46 7.348 8.064 -0.716 1
1 547 . 12 1 1 A 46 46 LYS HA H 46 4.222 4.739 -0.517 1
1 554 . 12 1 1 A 46 46 LYS C C 46 175.715 175.738 -0.023 1
1 555 . 12 1 1 A 46 46 LYS CA C 46 53.576 54.420 -0.844 1
1 556 . 12 1 1 A 46 46 LYS CB C 46 33.582 35.347 -1.765 1
1 560 . 12 1 1 A 46 46 LYS N N 46 129.620 126.718 2.902 1
1 561 . 12 1 1 A 47 47 ASP H H 47 8.578 8.746 -0.168 1
1 562 . 12 1 1 A 47 47 ASP HA H 47 4.126 4.801 -0.675 1
1 565 . 12 1 1 A 47 47 ASP C C 47 179.207 176.616 2.591 1
1 566 . 12 1 1 A 47 47 ASP CA C 47 57.191 54.041 3.150 1
1 567 . 12 1 1 A 47 47 ASP CB C 47 41.969 40.999 0.970 1
1 568 . 12 1 1 A 47 47 ASP N N 47 125.757 125.594 0.163 1
1 569 . 12 1 1 A 48 48 GLU H H 48 9.445 7.949 1.496 1
1 570 . 12 1 1 A 48 48 GLU HA H 48 3.918 4.182 -0.264 1
1 575 . 12 1 1 A 48 48 GLU C C 48 177.578 177.302 0.276 1
1 576 . 12 1 1 A 48 48 GLU CA C 48 60.066 58.165 1.901 1
1 577 . 12 1 1 A 48 48 GLU CB C 48 29.343 30.281 -0.938 1
1 579 . 12 1 1 A 48 48 GLU N N 48 117.612 119.081 -1.469 1
1 580 . 12 1 1 A 49 49 THR H H 49 6.624 7.482 -0.858 1
1 581 . 12 1 1 A 49 49 THR HA H 49 4.414 4.478 -0.064 1
1 586 . 12 1 1 A 49 49 THR C C 49 175.232 173.863 1.369 1
1 587 . 12 1 1 A 49 49 THR CA C 49 59.873 60.493 -0.620 1
1 588 . 12 1 1 A 49 49 THR CB C 49 69.188 69.276 -0.088 1
1 590 . 12 1 1 A 49 49 THR N N 49 103.078 107.097 -4.019 1
1 591 . 12 1 1 A 50 50 LYS H H 50 7.828 7.887 -0.059 1
1 592 . 12 1 1 A 50 50 LYS HA H 50 4.139 4.058 0.081 1
1 597 . 12 1 1 A 50 50 LYS C C 50 174.786 174.878 -0.092 1
1 598 . 12 1 1 A 50 50 LYS CA C 50 55.981 56.705 -0.724 1
1 599 . 12 1 1 A 50 50 LYS CB C 50 29.258 30.075 -0.817 1
1 602 . 12 1 1 A 50 50 LYS N N 50 123.628 115.784 7.844 1
1 603 . 12 1 1 A 51 51 THR H H 51 7.216 7.123 0.093 1
1 604 . 12 1 1 A 51 51 THR HA H 51 5.433 5.162 0.271 1
1 609 . 12 1 1 A 51 51 THR C C 51 174.574 173.286 1.288 1
1 610 . 12 1 1 A 51 51 THR CA C 51 62.224 61.280 0.944 1
1 611 . 12 1 1 A 51 51 THR CB C 51 72.346 71.536 0.810 1
1 613 . 12 1 1 A 51 51 THR N N 51 110.763 113.795 -3.032 1
1 614 . 12 1 1 A 52 52 PHE H H 52 10.222 9.445 0.777 1
1 615 . 12 1 1 A 52 52 PHE HA H 52 5.447 5.201 0.246 1
1 622 . 12 1 1 A 52 52 PHE C C 52 174.401 174.591 -0.190 1
1 623 . 12 1 1 A 52 52 PHE CA C 52 57.269 57.121 0.148 1
1 624 . 12 1 1 A 52 52 PHE CB C 52 42.143 40.457 1.686 1
1 629 . 12 1 1 A 52 52 PHE N N 52 130.993 125.909 5.084 1
1 630 . 12 1 1 A 53 53 THR H H 53 9.099 8.797 0.302 1
1 631 . 12 1 1 A 53 53 THR HA H 53 5.108 5.070 0.038 1
1 636 . 12 1 1 A 53 53 THR C C 53 172.565 172.581 -0.016 1
1 637 . 12 1 1 A 53 53 THR CA C 53 61.737 59.701 2.036 1
1 638 . 12 1 1 A 53 53 THR CB C 53 70.663 71.112 -0.449 1
1 640 . 12 1 1 A 53 53 THR N N 53 117.968 118.048 -0.080 1
1 641 . 12 1 1 A 54 54 VAL H H 54 8.496 8.572 -0.076 1
1 642 . 12 1 1 A 54 54 VAL HA H 54 4.410 5.106 -0.696 1
1 650 . 12 1 1 A 54 54 VAL C C 54 173.790 173.343 0.447 1
1 651 . 12 1 1 A 54 54 VAL CA C 54 59.103 59.980 -0.877 1
1 652 . 12 1 1 A 54 54 VAL CB C 54 32.651 35.113 -2.462 1
1 655 . 12 1 1 A 54 54 VAL N N 54 125.071 126.603 -1.532 1
1 656 . 12 1 1 A 55 55 THR H H 55 8.265 8.473 -0.208 1
1 657 . 12 1 1 A 55 55 THR HA H 55 4.792 5.052 -0.260 1
1 662 . 12 1 1 A 55 55 THR C C 55 173.789 173.523 0.266 1
1 663 . 12 1 1 A 55 55 THR CA C 55 61.035 59.851 1.184 1
1 664 . 12 1 1 A 55 55 THR CB C 55 71.261 71.579 -0.318 1
1 666 . 12 1 1 A 55 55 THR N N 55 122.202 120.985 1.217 1
1 10 . 13 1 1 A 2 2 THR H H 2 8.719 8.463 0.256 1
1 11 . 13 1 1 A 2 2 THR HA H 2 4.251 4.474 -0.223 1
1 16 . 13 1 1 A 2 2 THR C C 2 172.951 172.889 0.062 1
1 17 . 13 1 1 A 2 2 THR CA C 2 63.748 61.975 1.773 1
1 18 . 13 1 1 A 2 2 THR CB C 2 68.568 69.202 -0.634 1
1 20 . 13 1 1 A 2 2 THR N N 2 123.894 118.710 5.184 1
1 21 . 13 1 1 A 3 3 TYR H H 3 8.841 9.415 -0.574 1
1 22 . 13 1 1 A 3 3 TYR HA H 3 5.289 5.151 0.138 1
1 29 . 13 1 1 A 3 3 TYR C C 3 173.975 175.440 -1.465 1
1 30 . 13 1 1 A 3 3 TYR CA C 3 57.850 56.907 0.943 1
1 31 . 13 1 1 A 3 3 TYR CB C 3 43.043 40.873 2.170 1
1 36 . 13 1 1 A 3 3 TYR N N 3 127.370 128.249 -0.879 1
1 37 . 13 1 1 A 4 4 LYS H H 4 8.791 8.700 0.091 1
1 38 . 13 1 1 A 4 4 LYS HA H 4 5.344 5.295 0.049 1
1 43 . 13 1 1 A 4 4 LYS C C 4 173.055 175.309 -2.254 1
1 44 . 13 1 1 A 4 4 LYS CA C 4 54.537 55.239 -0.702 1
1 45 . 13 1 1 A 4 4 LYS CB C 4 35.881 35.620 0.261 1
1 48 . 13 1 1 A 4 4 LYS N N 4 121.038 123.022 -1.984 1
1 49 . 13 1 1 A 5 5 LEU H H 5 9.005 9.027 -0.022 1
1 50 . 13 1 1 A 5 5 LEU HA H 5 4.889 5.415 -0.526 1
1 60 . 13 1 1 A 5 5 LEU C C 5 174.789 174.935 -0.146 1
1 61 . 13 1 1 A 5 5 LEU CA C 5 52.566 53.060 -0.494 1
1 62 . 13 1 1 A 5 5 LEU CB C 5 44.174 45.529 -1.355 1
1 65 . 13 1 1 A 5 5 LEU N N 5 126.547 126.346 0.201 1
1 66 . 13 1 1 A 6 6 ILE H H 6 9.104 8.598 0.506 1
1 67 . 13 1 1 A 6 6 ILE HA H 6 4.970 4.890 0.080 1
1 71 . 13 1 1 A 6 6 ILE C C 6 174.690 174.180 0.510 1
1 72 . 13 1 1 A 6 6 ILE CA C 6 60.313 59.205 1.108 1
1 73 . 13 1 1 A 6 6 ILE CB C 6 38.652 40.668 -2.016 1
1 76 . 13 1 1 A 6 6 ILE N N 6 126.502 122.351 4.151 1
1 77 . 13 1 1 A 7 7 LEU H H 7 8.907 9.195 -0.288 1
1 78 . 13 1 1 A 7 7 LEU HA H 7 4.452 5.627 -1.175 1
1 88 . 13 1 1 A 7 7 LEU C C 7 174.573 175.839 -1.266 1
1 89 . 13 1 1 A 7 7 LEU CA C 7 54.010 53.056 0.954 1
1 90 . 13 1 1 A 7 7 LEU CB C 7 41.072 44.270 -3.198 1
1 93 . 13 1 1 A 7 7 LEU N N 7 126.037 128.376 -2.339 1
1 94 . 13 1 1 A 8 8 ASN H H 8 8.941 8.718 0.223 1
1 95 . 13 1 1 A 8 8 ASN HA H 8 4.943 5.345 -0.402 1
1 100 . 13 1 1 A 8 8 ASN C C 8 174.323 174.503 -0.180 1
1 101 . 13 1 1 A 8 8 ASN CA C 8 51.785 52.055 -0.270 1
1 102 . 13 1 1 A 8 8 ASN CB C 8 38.008 39.788 -1.780 1
1 103 . 13 1 1 A 8 8 ASN N N 8 125.436 122.094 3.342 1
1 105 . 13 1 1 A 9 9 LEU H H 9 7.636 8.455 -0.819 1
1 106 . 13 1 1 A 9 9 LEU HA H 9 4.548 4.702 -0.154 1
1 113 . 13 1 1 A 9 9 LEU C C 9 177.230 177.933 -0.703 1
1 114 . 13 1 1 A 9 9 LEU CA C 9 53.502 53.609 -0.107 1
1 115 . 13 1 1 A 9 9 LEU CB C 9 41.569 43.199 -1.630 1
1 118 . 13 1 1 A 9 9 LEU N N 9 121.638 125.223 -3.585 1
1 119 . 13 1 1 A 10 10 LYS H H 10 9.138 8.581 0.557 1
1 120 . 13 1 1 A 10 10 LYS HA H 10 3.964 4.007 -0.043 1
1 127 . 13 1 1 A 10 10 LYS C C 10 179.119 178.253 0.866 1
1 128 . 13 1 1 A 10 10 LYS CA C 10 59.786 58.832 0.954 1
1 129 . 13 1 1 A 10 10 LYS CB C 10 31.825 32.512 -0.687 1
1 133 . 13 1 1 A 10 10 LYS N N 10 120.948 122.169 -1.221 1
1 134 . 13 1 1 A 11 11 GLN H H 11 8.432 7.703 0.729 1
1 135 . 13 1 1 A 11 11 GLN HA H 11 4.325 4.306 0.019 1
1 140 . 13 1 1 A 11 11 GLN C C 11 175.294 176.165 -0.871 1
1 141 . 13 1 1 A 11 11 GLN CA C 11 55.903 57.413 -1.510 1
1 142 . 13 1 1 A 11 11 GLN CB C 11 29.207 29.805 -0.598 1
1 144 . 13 1 1 A 11 11 GLN N N 11 113.252 116.492 -3.240 1
1 145 . 13 1 1 A 12 12 ALA H H 12 7.079 7.574 -0.495 1
1 146 . 13 1 1 A 12 12 ALA HA H 12 4.318 4.675 -0.357 1
1 150 . 13 1 1 A 12 12 ALA C C 12 174.190 175.241 -1.051 1
1 151 . 13 1 1 A 12 12 ALA CA C 12 52.507 51.558 0.949 1
1 152 . 13 1 1 A 12 12 ALA CB C 12 21.479 23.051 -1.572 1
1 153 . 13 1 1 A 12 12 ALA N N 12 120.435 118.785 1.650 1
1 154 . 13 1 1 A 13 13 LYS H H 13 8.156 8.576 -0.420 1
1 155 . 13 1 1 A 13 13 LYS HA H 13 5.197 4.979 0.218 1
1 162 . 13 1 1 A 13 13 LYS C C 13 176.127 175.560 0.567 1
1 163 . 13 1 1 A 13 13 LYS CA C 13 55.036 54.711 0.325 1
1 164 . 13 1 1 A 13 13 LYS CB C 13 33.890 34.318 -0.428 1
1 168 . 13 1 1 A 13 13 LYS N N 13 120.644 119.512 1.132 1
1 169 . 13 1 1 A 14 14 GLU H H 14 8.545 8.893 -0.348 1
1 170 . 13 1 1 A 14 14 GLU HA H 14 4.629 5.187 -0.558 1
1 175 . 13 1 1 A 14 14 GLU C C 14 173.875 175.622 -1.747 1
1 176 . 13 1 1 A 14 14 GLU CA C 14 54.680 54.640 0.040 1
1 177 . 13 1 1 A 14 14 GLU CB C 14 34.319 33.399 0.920 1
1 179 . 13 1 1 A 14 14 GLU N N 14 123.133 123.719 -0.586 1
1 180 . 13 1 1 A 15 15 GLU H H 15 8.532 9.110 -0.578 1
1 181 . 13 1 1 A 15 15 GLU HA H 15 5.465 5.277 0.188 1
1 186 . 13 1 1 A 15 15 GLU C C 15 175.284 174.597 0.687 1
1 188 . 13 1 1 A 15 15 GLU N N 15 120.437 119.687 0.750 1
1 189 . 13 1 1 A 16 16 ALA H H 16 9.161 8.546 0.615 1
1 190 . 13 1 1 A 16 16 ALA HA H 16 4.731 4.915 -0.184 1
1 194 . 13 1 1 A 16 16 ALA C C 16 174.936 175.230 -0.294 1
1 195 . 13 1 1 A 16 16 ALA CA C 16 51.278 51.311 -0.033 1
1 196 . 13 1 1 A 16 16 ALA CB C 16 22.037 23.803 -1.766 1
1 197 . 13 1 1 A 16 16 ALA N N 16 126.588 121.271 5.317 1
1 198 . 13 1 1 A 17 17 ILE H H 17 8.387 8.444 -0.057 1
1 199 . 13 1 1 A 17 17 ILE HA H 17 5.325 5.083 0.242 1
1 206 . 13 1 1 A 17 17 ILE C C 17 176.066 174.815 1.251 1
1 210 . 13 1 1 A 17 17 ILE N N 17 117.620 119.449 -1.829 1
1 211 . 13 1 1 A 18 18 LYS H H 18 9.152 9.460 -0.308 1
1 212 . 13 1 1 A 18 18 LYS HA H 18 4.385 4.863 -0.478 1
1 221 . 13 1 1 A 18 18 LYS C C 18 173.587 175.160 -1.573 1
1 222 . 13 1 1 A 18 18 LYS CA C 18 55.084 54.096 0.988 1
1 223 . 13 1 1 A 18 18 LYS CB C 18 36.862 36.803 0.059 1
1 227 . 13 1 1 A 18 18 LYS N N 18 125.563 125.146 0.417 1
1 228 . 13 1 1 A 19 19 GLU H H 19 8.337 8.463 -0.126 1
1 229 . 13 1 1 A 19 19 GLU HA H 19 4.907 5.055 -0.148 1
1 234 . 13 1 1 A 19 19 GLU C C 19 175.687 175.268 0.419 1
1 235 . 13 1 1 A 19 19 GLU CA C 19 55.679 55.202 0.477 1
1 236 . 13 1 1 A 19 19 GLU CB C 19 29.158 31.664 -2.506 1
1 238 . 13 1 1 A 19 19 GLU N N 19 127.836 118.576 9.260 1
1 239 . 13 1 1 A 20 20 LEU H H 20 8.710 8.449 0.261 1
1 240 . 13 1 1 A 20 20 LEU HA H 20 4.798 4.902 -0.104 1
1 247 . 13 1 1 A 20 20 LEU C C 20 177.829 175.878 1.951 1
1 248 . 13 1 1 A 20 20 LEU CA C 20 53.519 53.313 0.206 1
1 249 . 13 1 1 A 20 20 LEU CB C 20 47.902 44.019 3.883 1
1 252 . 13 1 1 A 20 20 LEU N N 20 127.240 123.224 4.016 1
1 253 . 13 1 1 A 21 21 VAL H H 21 8.236 8.278 -0.042 1
1 254 . 13 1 1 A 21 21 VAL HA H 21 3.947 4.178 -0.231 1
1 259 . 13 1 1 A 21 21 VAL C C 21 175.301 175.273 0.028 1
1 260 . 13 1 1 A 21 21 VAL CA C 21 64.879 63.466 1.413 1
1 261 . 13 1 1 A 21 21 VAL CB C 21 32.290 33.156 -0.866 1
1 263 . 13 1 1 A 21 21 VAL N N 21 116.513 120.975 -4.462 1
1 264 . 13 1 1 A 22 22 ASP H H 22 7.071 7.750 -0.679 1
1 265 . 13 1 1 A 22 22 ASP HA H 22 4.028 5.115 -1.087 1
1 268 . 13 1 1 A 22 22 ASP C C 22 172.221 175.773 -3.552 1
1 269 . 13 1 1 A 22 22 ASP CA C 22 52.983 52.657 0.326 1
1 270 . 13 1 1 A 22 22 ASP CB C 22 42.107 44.418 -2.311 1
1 271 . 13 1 1 A 22 22 ASP N N 22 115.040 117.687 -2.647 1
1 272 . 13 1 1 A 23 23 ALA H H 23 8.332 8.841 -0.509 1
1 273 . 13 1 1 A 23 23 ALA HA H 23 4.136 3.886 0.250 1
1 277 . 13 1 1 A 23 23 ALA C C 23 179.560 179.460 0.100 1
1 278 . 13 1 1 A 23 23 ALA CA C 23 55.215 54.869 0.346 1
1 279 . 13 1 1 A 23 23 ALA CB C 23 17.337 18.703 -1.366 1
1 280 . 13 1 1 A 23 23 ALA N N 23 121.322 122.686 -1.364 1
1 281 . 13 1 1 A 24 24 ALA H H 24 8.168 8.135 0.033 1
1 282 . 13 1 1 A 24 24 ALA HA H 24 4.000 3.983 0.017 1
1 286 . 13 1 1 A 24 24 ALA C C 24 181.170 179.375 1.795 1
1 287 . 13 1 1 A 24 24 ALA CA C 24 54.771 55.036 -0.265 1
1 288 . 13 1 1 A 24 24 ALA CB C 24 17.274 18.812 -1.538 1
1 289 . 13 1 1 A 24 24 ALA N N 24 122.440 120.268 2.172 1
1 290 . 13 1 1 A 25 25 THR H H 25 8.444 8.007 0.437 1
1 291 . 13 1 1 A 25 25 THR HA H 25 3.924 3.838 0.086 1
1 296 . 13 1 1 A 25 25 THR C C 25 176.695 176.240 0.455 1
1 297 . 13 1 1 A 25 25 THR CA C 25 66.636 66.378 0.258 1
1 298 . 13 1 1 A 25 25 THR CB C 25 68.177 68.568 -0.391 1
1 300 . 13 1 1 A 25 25 THR N N 25 117.219 113.467 3.752 1
1 301 . 13 1 1 A 26 26 ALA H H 26 7.755 7.776 -0.021 1
1 302 . 13 1 1 A 26 26 ALA HA H 26 3.427 3.615 -0.188 1
1 306 . 13 1 1 A 26 26 ALA C C 26 176.844 180.225 -3.381 1
1 307 . 13 1 1 A 26 26 ALA CA C 26 55.025 55.124 -0.099 1
1 308 . 13 1 1 A 26 26 ALA CB C 26 17.772 17.464 0.308 1
1 309 . 13 1 1 A 26 26 ALA N N 26 125.147 123.073 2.074 1
1 310 . 13 1 1 A 27 27 GLU H H 27 8.412 8.761 -0.349 1
1 311 . 13 1 1 A 27 27 GLU HA H 27 2.758 3.665 -0.907 1
1 316 . 13 1 1 A 27 27 GLU C C 27 177.417 178.952 -1.535 1
1 317 . 13 1 1 A 27 27 GLU CA C 27 59.932 59.312 0.620 1
1 318 . 13 1 1 A 27 27 GLU CB C 27 28.943 29.137 -0.194 1
1 320 . 13 1 1 A 27 27 GLU N N 27 119.203 117.952 1.251 1
1 321 . 13 1 1 A 28 28 LYS H H 28 7.013 7.733 -0.720 1
1 322 . 13 1 1 A 28 28 LYS HA H 28 3.626 4.014 -0.388 1
1 329 . 13 1 1 A 28 28 LYS C C 28 178.802 178.472 0.330 1
1 330 . 13 1 1 A 28 28 LYS CA C 28 59.572 58.842 0.730 1
1 331 . 13 1 1 A 28 28 LYS CB C 28 32.290 32.364 -0.074 1
1 335 . 13 1 1 A 28 28 LYS N N 28 116.415 120.540 -4.125 1
1 336 . 13 1 1 A 29 29 TYR H H 29 7.815 8.406 -0.591 1
1 337 . 13 1 1 A 29 29 TYR HA H 29 3.841 4.215 -0.374 1
1 344 . 13 1 1 A 29 29 TYR C C 29 178.466 177.440 1.026 1
1 345 . 13 1 1 A 29 29 TYR CA C 29 61.703 61.517 0.186 1
1 346 . 13 1 1 A 29 29 TYR CB C 29 38.193 38.738 -0.545 1
1 351 . 13 1 1 A 29 29 TYR N N 29 119.360 120.571 -1.211 1
1 352 . 13 1 1 A 30 30 PHE H H 30 8.979 9.079 -0.100 1
1 353 . 13 1 1 A 30 30 PHE HA H 30 4.451 4.463 -0.012 1
1 360 . 13 1 1 A 30 30 PHE C C 30 178.342 178.057 0.285 1
1 361 . 13 1 1 A 30 30 PHE CA C 30 59.395 61.979 -2.584 1
1 362 . 13 1 1 A 30 30 PHE CB C 30 37.451 39.086 -1.635 1
1 367 . 13 1 1 A 30 30 PHE N N 30 119.088 118.340 0.748 1
1 368 . 13 1 1 A 31 31 LYS H H 31 8.464 8.077 0.387 1
1 369 . 13 1 1 A 31 31 LYS HA H 31 3.983 4.357 -0.374 1
1 376 . 13 1 1 A 31 31 LYS C C 31 179.506 179.148 0.358 1
1 377 . 13 1 1 A 31 31 LYS CA C 31 60.031 59.485 0.546 1
1 378 . 13 1 1 A 31 31 LYS CB C 31 31.236 32.147 -0.911 1
1 381 . 13 1 1 A 31 31 LYS N N 31 122.220 119.477 2.743 1
1 382 . 13 1 1 A 32 32 LEU H H 32 7.314 8.142 -0.828 1
1 383 . 13 1 1 A 32 32 LEU HA H 32 3.990 4.013 -0.023 1
1 390 . 13 1 1 A 32 32 LEU C C 32 179.565 179.026 0.539 1
1 391 . 13 1 1 A 32 32 LEU CA C 32 58.069 57.670 0.399 1
1 392 . 13 1 1 A 32 32 LEU CB C 32 41.329 41.227 0.102 1
1 395 . 13 1 1 A 32 32 LEU N N 32 120.642 119.565 1.077 1
1 396 . 13 1 1 A 33 33 TYR H H 33 8.018 8.124 -0.106 1
1 397 . 13 1 1 A 33 33 TYR HA H 33 3.999 4.122 -0.123 1
1 405 . 13 1 1 A 33 33 TYR C C 33 177.598 178.079 -0.481 1
1 406 . 13 1 1 A 33 33 TYR CA C 33 61.107 61.746 -0.639 1
1 407 . 13 1 1 A 33 33 TYR CB C 33 39.081 38.911 0.170 1
1 412 . 13 1 1 A 33 33 TYR N N 33 122.222 119.392 2.830 1
1 413 . 13 1 1 A 34 34 ALA H H 34 8.794 8.573 0.221 1
1 414 . 13 1 1 A 34 34 ALA HA H 34 3.783 4.218 -0.435 1
1 418 . 13 1 1 A 34 34 ALA C C 34 179.307 179.823 -0.516 1
1 419 . 13 1 1 A 34 34 ALA CA C 34 54.459 54.952 -0.493 1
1 420 . 13 1 1 A 34 34 ALA CB C 34 18.376 18.195 0.181 1
1 421 . 13 1 1 A 34 34 ALA N N 34 119.675 121.622 -1.947 1
1 422 . 13 1 1 A 35 35 ASN H H 35 8.156 7.913 0.243 1
1 423 . 13 1 1 A 35 35 ASN HA H 35 4.489 4.620 -0.131 1
1 426 . 13 1 1 A 35 35 ASN C C 35 177.869 177.572 0.297 1
1 427 . 13 1 1 A 35 35 ASN CA C 35 56.410 55.783 0.627 1
1 428 . 13 1 1 A 35 35 ASN CB C 35 38.339 38.517 -0.178 1
1 429 . 13 1 1 A 35 35 ASN N N 35 117.882 116.948 0.934 1
1 430 . 13 1 1 A 36 36 ALA H H 36 7.804 7.654 0.150 1
1 431 . 13 1 1 A 36 36 ALA HA H 36 4.087 4.032 0.055 1
1 435 . 13 1 1 A 36 36 ALA C C 36 178.579 179.489 -0.910 1
1 436 . 13 1 1 A 36 36 ALA CA C 36 53.893 55.156 -1.263 1
1 437 . 13 1 1 A 36 36 ALA CB C 36 17.782 18.720 -0.938 1
1 438 . 13 1 1 A 36 36 ALA N N 36 121.244 122.490 -1.246 1
1 439 . 13 1 1 A 37 37 LYS H H 37 7.380 8.008 -0.628 1
1 440 . 13 1 1 A 37 37 LYS HA H 37 4.164 3.832 0.332 1
1 447 . 13 1 1 A 37 37 LYS C C 37 175.831 176.708 -0.877 1
1 448 . 13 1 1 A 37 37 LYS CA C 37 56.020 59.114 -3.094 1
1 449 . 13 1 1 A 37 37 LYS CB C 37 32.876 31.822 1.054 1
1 453 . 13 1 1 A 37 37 LYS N N 37 116.585 116.869 -0.284 1
1 454 . 13 1 1 A 38 38 THR H H 38 7.891 7.592 0.299 1
1 455 . 13 1 1 A 38 38 THR HA H 38 4.144 4.737 -0.593 1
1 460 . 13 1 1 A 38 38 THR C C 38 172.820 173.710 -0.890 1
1 461 . 13 1 1 A 38 38 THR CA C 38 61.719 60.347 1.372 1
1 462 . 13 1 1 A 38 38 THR CB C 38 68.688 70.157 -1.469 1
1 464 . 13 1 1 A 38 38 THR N N 38 113.375 109.066 4.309 1
1 465 . 13 1 1 A 39 39 VAL H H 39 7.939 8.350 -0.411 1
1 466 . 13 1 1 A 39 39 VAL HA H 39 4.148 4.935 -0.787 1
1 471 . 13 1 1 A 39 39 VAL C C 39 174.525 174.691 -0.166 1
1 472 . 13 1 1 A 39 39 VAL CA C 39 62.125 59.490 2.635 1
1 473 . 13 1 1 A 39 39 VAL CB C 39 32.720 34.468 -1.748 1
1 475 . 13 1 1 A 39 39 VAL N N 39 120.564 114.458 6.106 1
1 476 . 13 1 1 A 40 40 GLU H H 40 8.586 8.830 -0.244 1
1 477 . 13 1 1 A 40 40 GLU HA H 40 4.533 5.068 -0.535 1
1 482 . 13 1 1 A 40 40 GLU C C 40 175.158 175.464 -0.306 1
1 483 . 13 1 1 A 40 40 GLU CA C 40 55.211 55.368 -0.157 1
1 484 . 13 1 1 A 40 40 GLU CB C 40 31.130 32.121 -0.991 1
1 486 . 13 1 1 A 40 40 GLU N N 40 126.113 120.566 5.547 1
1 487 . 13 1 1 A 41 41 GLY H H 41 8.042 8.589 -0.547 1
1 488 . 13 1 1 A 41 41 GLY HA2 H 41 4.059 4.198 -0.139 1
1 489 . 13 1 1 A 41 41 GLY HA3 H 41 3.533 4.265 -0.732 1
1 490 . 13 1 1 A 41 41 GLY C C 41 174.994 172.728 2.266 1
1 491 . 13 1 1 A 41 41 GLY CA C 41 45.300 45.432 -0.132 1
1 492 . 13 1 1 A 41 41 GLY N N 41 107.727 109.743 -2.016 1
1 493 . 13 1 1 A 42 42 VAL H H 42 8.349 8.374 -0.025 1
1 494 . 13 1 1 A 42 42 VAL HA H 42 4.303 4.174 0.129 1
1 499 . 13 1 1 A 42 42 VAL C C 42 176.649 175.658 0.991 1
1 500 . 13 1 1 A 42 42 VAL CA C 42 62.243 61.954 0.289 1
1 501 . 13 1 1 A 42 42 VAL CB C 42 33.763 32.545 1.218 1
1 503 . 13 1 1 A 42 42 VAL N N 42 121.379 118.612 2.767 1
1 504 . 13 1 1 A 43 43 TRP H H 43 9.250 9.316 -0.066 1
1 505 . 13 1 1 A 43 43 TRP HA H 43 5.104 5.538 -0.434 1
1 514 . 13 1 1 A 43 43 TRP C C 43 177.089 175.458 1.631 1
1 515 . 13 1 1 A 43 43 TRP CA C 43 57.991 55.910 2.081 1
1 516 . 13 1 1 A 43 43 TRP CB C 43 29.904 32.305 -2.401 1
1 521 . 13 1 1 A 43 43 TRP N N 43 130.568 125.432 5.136 1
1 523 . 13 1 1 A 44 44 THR H H 44 9.219 9.252 -0.033 1
1 524 . 13 1 1 A 44 44 THR HA H 44 4.694 5.178 -0.484 1
1 529 . 13 1 1 A 44 44 THR C C 44 172.706 172.391 0.315 1
1 530 . 13 1 1 A 44 44 THR CA C 44 60.957 60.847 0.110 1
1 531 . 13 1 1 A 44 44 THR CB C 44 72.616 71.320 1.296 1
1 533 . 13 1 1 A 44 44 THR N N 44 114.918 113.940 0.978 1
1 534 . 13 1 1 A 45 45 TYR H H 45 8.553 9.160 -0.607 1
1 535 . 13 1 1 A 45 45 TYR HA H 45 5.002 4.818 0.184 1
1 540 . 13 1 1 A 45 45 TYR C C 45 173.745 174.678 -0.933 1
1 541 . 13 1 1 A 45 45 TYR CA C 45 57.249 58.097 -0.848 1
1 542 . 13 1 1 A 45 45 TYR CB C 45 41.719 39.734 1.985 1
1 545 . 13 1 1 A 45 45 TYR N N 45 121.490 127.755 -6.265 1
1 546 . 13 1 1 A 46 46 LYS H H 46 7.348 8.070 -0.722 1
1 547 . 13 1 1 A 46 46 LYS HA H 46 4.222 4.888 -0.666 1
1 554 . 13 1 1 A 46 46 LYS C C 46 175.715 175.794 -0.079 1
1 555 . 13 1 1 A 46 46 LYS CA C 46 53.576 54.055 -0.479 1
1 556 . 13 1 1 A 46 46 LYS CB C 46 33.582 35.833 -2.251 1
1 560 . 13 1 1 A 46 46 LYS N N 46 129.620 126.828 2.792 1
1 561 . 13 1 1 A 47 47 ASP H H 47 8.578 8.659 -0.081 1
1 562 . 13 1 1 A 47 47 ASP HA H 47 4.126 4.774 -0.648 1
1 565 . 13 1 1 A 47 47 ASP C C 47 179.207 176.980 2.227 1
1 566 . 13 1 1 A 47 47 ASP CA C 47 57.191 53.143 4.048 1
1 567 . 13 1 1 A 47 47 ASP CB C 47 41.969 40.227 1.742 1
1 568 . 13 1 1 A 47 47 ASP N N 47 125.757 123.330 2.427 1
1 569 . 13 1 1 A 48 48 GLU H H 48 9.445 8.090 1.355 1
1 570 . 13 1 1 A 48 48 GLU HA H 48 3.918 4.152 -0.234 1
1 575 . 13 1 1 A 48 48 GLU C C 48 177.578 177.253 0.325 1
1 576 . 13 1 1 A 48 48 GLU CA C 48 60.066 58.276 1.790 1
1 577 . 13 1 1 A 48 48 GLU CB C 48 29.343 30.828 -1.485 1
1 579 . 13 1 1 A 48 48 GLU N N 48 117.612 119.184 -1.572 1
1 580 . 13 1 1 A 49 49 THR H H 49 6.624 7.555 -0.931 1
1 581 . 13 1 1 A 49 49 THR HA H 49 4.414 4.495 -0.081 1
1 586 . 13 1 1 A 49 49 THR C C 49 175.232 173.809 1.423 1
1 587 . 13 1 1 A 49 49 THR CA C 49 59.873 60.477 -0.604 1
1 588 . 13 1 1 A 49 49 THR CB C 49 69.188 69.050 0.138 1
1 590 . 13 1 1 A 49 49 THR N N 49 103.078 106.941 -3.863 1
1 591 . 13 1 1 A 50 50 LYS H H 50 7.828 7.902 -0.074 1
1 592 . 13 1 1 A 50 50 LYS HA H 50 4.139 4.221 -0.082 1
1 597 . 13 1 1 A 50 50 LYS C C 50 174.786 174.906 -0.120 1
1 598 . 13 1 1 A 50 50 LYS CA C 50 55.981 56.793 -0.812 1
1 599 . 13 1 1 A 50 50 LYS CB C 50 29.258 30.050 -0.792 1
1 602 . 13 1 1 A 50 50 LYS N N 50 123.628 115.701 7.927 1
1 603 . 13 1 1 A 51 51 THR H H 51 7.216 7.212 0.004 1
1 604 . 13 1 1 A 51 51 THR HA H 51 5.433 5.185 0.248 1
1 609 . 13 1 1 A 51 51 THR C C 51 174.574 173.290 1.284 1
1 610 . 13 1 1 A 51 51 THR CA C 51 62.224 61.269 0.955 1
1 611 . 13 1 1 A 51 51 THR CB C 51 72.346 71.728 0.618 1
1 613 . 13 1 1 A 51 51 THR N N 51 110.763 113.488 -2.725 1
1 614 . 13 1 1 A 52 52 PHE H H 52 10.222 9.784 0.438 1
1 615 . 13 1 1 A 52 52 PHE HA H 52 5.447 5.470 -0.023 1
1 622 . 13 1 1 A 52 52 PHE C C 52 174.401 175.364 -0.963 1
1 623 . 13 1 1 A 52 52 PHE CA C 52 57.269 57.469 -0.200 1
1 624 . 13 1 1 A 52 52 PHE CB C 52 42.143 41.964 0.179 1
1 629 . 13 1 1 A 52 52 PHE N N 52 130.993 125.800 5.193 1
1 630 . 13 1 1 A 53 53 THR H H 53 9.099 8.811 0.288 1
1 631 . 13 1 1 A 53 53 THR HA H 53 5.108 5.075 0.033 1
1 636 . 13 1 1 A 53 53 THR C C 53 172.565 172.570 -0.005 1
1 637 . 13 1 1 A 53 53 THR CA C 53 61.737 61.683 0.054 1
1 638 . 13 1 1 A 53 53 THR CB C 53 70.663 71.140 -0.477 1
1 640 . 13 1 1 A 53 53 THR N N 53 117.968 115.046 2.922 1
1 641 . 13 1 1 A 54 54 VAL H H 54 8.496 8.586 -0.090 1
1 642 . 13 1 1 A 54 54 VAL HA H 54 4.410 5.249 -0.839 1
1 650 . 13 1 1 A 54 54 VAL C C 54 173.790 173.444 0.346 1
1 651 . 13 1 1 A 54 54 VAL CA C 54 59.103 59.417 -0.314 1
1 652 . 13 1 1 A 54 54 VAL CB C 54 32.651 34.413 -1.762 1
1 655 . 13 1 1 A 54 54 VAL N N 54 125.071 126.520 -1.449 1
1 656 . 13 1 1 A 55 55 THR H H 55 8.265 8.910 -0.645 1
1 657 . 13 1 1 A 55 55 THR HA H 55 4.792 4.752 0.040 1
1 662 . 13 1 1 A 55 55 THR C C 55 173.789 171.794 1.995 1
1 663 . 13 1 1 A 55 55 THR CA C 55 61.035 59.966 1.069 1
1 664 . 13 1 1 A 55 55 THR CB C 55 71.261 70.644 0.617 1
1 666 . 13 1 1 A 55 55 THR N N 55 122.202 120.852 1.350 1
1 10 . 14 1 1 A 2 2 THR H H 2 8.719 8.717 0.002 1
1 11 . 14 1 1 A 2 2 THR HA H 2 4.251 4.296 -0.045 1
1 16 . 14 1 1 A 2 2 THR C C 2 172.951 173.875 -0.924 1
1 17 . 14 1 1 A 2 2 THR CA C 2 63.748 63.209 0.539 1
1 18 . 14 1 1 A 2 2 THR CB C 2 68.568 68.675 -0.107 1
1 20 . 14 1 1 A 2 2 THR N N 2 123.894 117.143 6.751 1
1 21 . 14 1 1 A 3 3 TYR H H 3 8.841 9.492 -0.651 1
1 22 . 14 1 1 A 3 3 TYR HA H 3 5.289 5.242 0.047 1
1 29 . 14 1 1 A 3 3 TYR C C 3 173.975 174.937 -0.962 1
1 30 . 14 1 1 A 3 3 TYR CA C 3 57.850 56.678 1.172 1
1 31 . 14 1 1 A 3 3 TYR CB C 3 43.043 40.621 2.422 1
1 36 . 14 1 1 A 3 3 TYR N N 3 127.370 127.572 -0.202 1
1 37 . 14 1 1 A 4 4 LYS H H 4 8.791 9.139 -0.348 1
1 38 . 14 1 1 A 4 4 LYS HA H 4 5.344 5.390 -0.046 1
1 43 . 14 1 1 A 4 4 LYS C C 4 173.055 174.425 -1.370 1
1 44 . 14 1 1 A 4 4 LYS CA C 4 54.537 55.041 -0.504 1
1 45 . 14 1 1 A 4 4 LYS CB C 4 35.881 35.575 0.306 1
1 48 . 14 1 1 A 4 4 LYS N N 4 121.038 124.338 -3.300 1
1 49 . 14 1 1 A 5 5 LEU H H 5 9.005 8.891 0.114 1
1 50 . 14 1 1 A 5 5 LEU HA H 5 4.889 5.244 -0.355 1
1 60 . 14 1 1 A 5 5 LEU C C 5 174.789 174.819 -0.030 1
1 61 . 14 1 1 A 5 5 LEU CA C 5 52.566 53.168 -0.602 1
1 62 . 14 1 1 A 5 5 LEU CB C 5 44.174 45.107 -0.933 1
1 65 . 14 1 1 A 5 5 LEU N N 5 126.547 127.155 -0.608 1
1 66 . 14 1 1 A 6 6 ILE H H 6 9.104 8.556 0.548 1
1 67 . 14 1 1 A 6 6 ILE HA H 6 4.970 4.882 0.088 1
1 71 . 14 1 1 A 6 6 ILE C C 6 174.690 174.065 0.625 1
1 72 . 14 1 1 A 6 6 ILE CA C 6 60.313 59.165 1.148 1
1 73 . 14 1 1 A 6 6 ILE CB C 6 38.652 40.808 -2.156 1
1 76 . 14 1 1 A 6 6 ILE N N 6 126.502 122.310 4.192 1
1 77 . 14 1 1 A 7 7 LEU H H 7 8.907 9.702 -0.795 1
1 78 . 14 1 1 A 7 7 LEU HA H 7 4.452 5.633 -1.181 1
1 88 . 14 1 1 A 7 7 LEU C C 7 174.573 175.351 -0.778 1
1 89 . 14 1 1 A 7 7 LEU CA C 7 54.010 52.896 1.114 1
1 90 . 14 1 1 A 7 7 LEU CB C 7 41.072 43.981 -2.909 1
1 93 . 14 1 1 A 7 7 LEU N N 7 126.037 128.041 -2.004 1
1 94 . 14 1 1 A 8 8 ASN H H 8 8.941 8.655 0.286 1
1 95 . 14 1 1 A 8 8 ASN HA H 8 4.943 5.249 -0.306 1
1 100 . 14 1 1 A 8 8 ASN C C 8 174.323 174.947 -0.624 1
1 101 . 14 1 1 A 8 8 ASN CA C 8 51.785 52.201 -0.416 1
1 102 . 14 1 1 A 8 8 ASN CB C 8 38.008 39.083 -1.075 1
1 103 . 14 1 1 A 8 8 ASN N N 8 125.436 122.923 2.513 1
1 105 . 14 1 1 A 9 9 LEU H H 9 7.636 8.202 -0.566 1
1 106 . 14 1 1 A 9 9 LEU HA H 9 4.548 4.744 -0.196 1
1 113 . 14 1 1 A 9 9 LEU C C 9 177.230 177.187 0.043 1
1 114 . 14 1 1 A 9 9 LEU CA C 9 53.502 52.787 0.715 1
1 115 . 14 1 1 A 9 9 LEU CB C 9 41.569 43.655 -2.086 1
1 118 . 14 1 1 A 9 9 LEU N N 9 121.638 124.234 -2.596 1
1 119 . 14 1 1 A 10 10 LYS H H 10 9.138 8.996 0.142 1
1 120 . 14 1 1 A 10 10 LYS HA H 10 3.964 4.008 -0.044 1
1 127 . 14 1 1 A 10 10 LYS C C 10 179.119 178.758 0.361 1
1 128 . 14 1 1 A 10 10 LYS CA C 10 59.786 59.530 0.256 1
1 129 . 14 1 1 A 10 10 LYS CB C 10 31.825 32.348 -0.523 1
1 133 . 14 1 1 A 10 10 LYS N N 10 120.948 119.993 0.955 1
1 134 . 14 1 1 A 11 11 GLN H H 11 8.432 8.414 0.018 1
1 135 . 14 1 1 A 11 11 GLN HA H 11 4.325 4.139 0.186 1
1 140 . 14 1 1 A 11 11 GLN C C 11 175.294 175.626 -0.332 1
1 141 . 14 1 1 A 11 11 GLN CA C 11 55.903 57.617 -1.714 1
1 142 . 14 1 1 A 11 11 GLN CB C 11 29.207 27.675 1.532 1
1 144 . 14 1 1 A 11 11 GLN N N 11 113.252 117.197 -3.945 1
1 145 . 14 1 1 A 12 12 ALA H H 12 7.079 7.446 -0.367 1
1 146 . 14 1 1 A 12 12 ALA HA H 12 4.318 4.415 -0.097 1
1 150 . 14 1 1 A 12 12 ALA C C 12 174.190 175.077 -0.887 1
1 151 . 14 1 1 A 12 12 ALA CA C 12 52.507 51.597 0.910 1
1 152 . 14 1 1 A 12 12 ALA CB C 12 21.479 21.294 0.185 1
1 153 . 14 1 1 A 12 12 ALA N N 12 120.435 119.629 0.806 1
1 154 . 14 1 1 A 13 13 LYS H H 13 8.156 8.309 -0.153 1
1 155 . 14 1 1 A 13 13 LYS HA H 13 5.197 5.012 0.185 1
1 162 . 14 1 1 A 13 13 LYS C C 13 176.127 175.443 0.684 1
1 163 . 14 1 1 A 13 13 LYS CA C 13 55.036 54.585 0.451 1
1 164 . 14 1 1 A 13 13 LYS CB C 13 33.890 34.605 -0.715 1
1 168 . 14 1 1 A 13 13 LYS N N 13 120.644 117.558 3.086 1
1 169 . 14 1 1 A 14 14 GLU H H 14 8.545 8.772 -0.227 1
1 170 . 14 1 1 A 14 14 GLU HA H 14 4.629 5.122 -0.493 1
1 175 . 14 1 1 A 14 14 GLU C C 14 173.875 175.740 -1.865 1
1 176 . 14 1 1 A 14 14 GLU CA C 14 54.680 55.106 -0.426 1
1 177 . 14 1 1 A 14 14 GLU CB C 14 34.319 31.786 2.533 1
1 179 . 14 1 1 A 14 14 GLU N N 14 123.133 124.174 -1.041 1
1 180 . 14 1 1 A 15 15 GLU H H 15 8.532 9.081 -0.549 1
1 181 . 14 1 1 A 15 15 GLU HA H 15 5.465 5.269 0.196 1
1 186 . 14 1 1 A 15 15 GLU C C 15 175.284 174.788 0.496 1
1 188 . 14 1 1 A 15 15 GLU N N 15 120.437 121.935 -1.498 1
1 189 . 14 1 1 A 16 16 ALA H H 16 9.161 8.692 0.469 1
1 190 . 14 1 1 A 16 16 ALA HA H 16 4.731 4.902 -0.171 1
1 194 . 14 1 1 A 16 16 ALA C C 16 174.936 175.206 -0.270 1
1 195 . 14 1 1 A 16 16 ALA CA C 16 51.278 51.280 -0.002 1
1 196 . 14 1 1 A 16 16 ALA CB C 16 22.037 23.700 -1.663 1
1 197 . 14 1 1 A 16 16 ALA N N 16 126.588 121.337 5.251 1
1 198 . 14 1 1 A 17 17 ILE H H 17 8.387 8.840 -0.453 1
1 199 . 14 1 1 A 17 17 ILE HA H 17 5.325 5.131 0.194 1
1 206 . 14 1 1 A 17 17 ILE C C 17 176.066 173.444 2.622 1
1 210 . 14 1 1 A 17 17 ILE N N 17 117.620 119.399 -1.779 1
1 211 . 14 1 1 A 18 18 LYS H H 18 9.152 9.640 -0.488 1
1 212 . 14 1 1 A 18 18 LYS HA H 18 4.385 4.794 -0.409 1
1 221 . 14 1 1 A 18 18 LYS C C 18 173.587 175.077 -1.490 1
1 222 . 14 1 1 A 18 18 LYS CA C 18 55.084 54.183 0.901 1
1 223 . 14 1 1 A 18 18 LYS CB C 18 36.862 36.400 0.462 1
1 227 . 14 1 1 A 18 18 LYS N N 18 125.563 127.778 -2.215 1
1 228 . 14 1 1 A 19 19 GLU H H 19 8.337 8.263 0.074 1
1 229 . 14 1 1 A 19 19 GLU HA H 19 4.907 5.116 -0.209 1
1 234 . 14 1 1 A 19 19 GLU C C 19 175.687 175.154 0.533 1
1 235 . 14 1 1 A 19 19 GLU CA C 19 55.679 54.570 1.109 1
1 236 . 14 1 1 A 19 19 GLU CB C 19 29.158 32.739 -3.581 1
1 238 . 14 1 1 A 19 19 GLU N N 19 127.836 119.714 8.122 1
1 239 . 14 1 1 A 20 20 LEU H H 20 8.710 9.004 -0.294 1
1 240 . 14 1 1 A 20 20 LEU HA H 20 4.798 4.814 -0.016 1
1 247 . 14 1 1 A 20 20 LEU C C 20 177.829 176.319 1.510 1
1 248 . 14 1 1 A 20 20 LEU CA C 20 53.519 53.088 0.431 1
1 249 . 14 1 1 A 20 20 LEU CB C 20 47.902 45.614 2.288 1
1 252 . 14 1 1 A 20 20 LEU N N 20 127.240 123.642 3.598 1
1 253 . 14 1 1 A 21 21 VAL H H 21 8.236 8.490 -0.254 1
1 254 . 14 1 1 A 21 21 VAL HA H 21 3.947 4.144 -0.197 1
1 259 . 14 1 1 A 21 21 VAL C C 21 175.301 175.496 -0.195 1
1 260 . 14 1 1 A 21 21 VAL CA C 21 64.879 63.479 1.400 1
1 261 . 14 1 1 A 21 21 VAL CB C 21 32.290 32.738 -0.448 1
1 263 . 14 1 1 A 21 21 VAL N N 21 116.513 118.983 -2.470 1
1 264 . 14 1 1 A 22 22 ASP H H 22 7.071 7.823 -0.752 1
1 265 . 14 1 1 A 22 22 ASP HA H 22 4.028 5.031 -1.003 1
1 268 . 14 1 1 A 22 22 ASP C C 22 172.221 175.623 -3.402 1
1 269 . 14 1 1 A 22 22 ASP CA C 22 52.983 52.738 0.245 1
1 270 . 14 1 1 A 22 22 ASP CB C 22 42.107 44.358 -2.251 1
1 271 . 14 1 1 A 22 22 ASP N N 22 115.040 118.013 -2.973 1
1 272 . 14 1 1 A 23 23 ALA H H 23 8.332 8.932 -0.600 1
1 273 . 14 1 1 A 23 23 ALA HA H 23 4.136 3.719 0.417 1
1 277 . 14 1 1 A 23 23 ALA C C 23 179.560 179.461 0.099 1
1 278 . 14 1 1 A 23 23 ALA CA C 23 55.215 55.172 0.043 1
1 279 . 14 1 1 A 23 23 ALA CB C 23 17.337 18.219 -0.882 1
1 280 . 14 1 1 A 23 23 ALA N N 23 121.322 122.104 -0.782 1
1 281 . 14 1 1 A 24 24 ALA H H 24 8.168 8.028 0.140 1
1 282 . 14 1 1 A 24 24 ALA HA H 24 4.000 3.990 0.010 1
1 286 . 14 1 1 A 24 24 ALA C C 24 181.170 179.811 1.359 1
1 287 . 14 1 1 A 24 24 ALA CA C 24 54.771 55.110 -0.339 1
1 288 . 14 1 1 A 24 24 ALA CB C 24 17.274 18.998 -1.724 1
1 289 . 14 1 1 A 24 24 ALA N N 24 122.440 120.460 1.980 1
1 290 . 14 1 1 A 25 25 THR H H 25 8.444 7.705 0.739 1
1 291 . 14 1 1 A 25 25 THR HA H 25 3.924 3.859 0.065 1
1 296 . 14 1 1 A 25 25 THR C C 25 176.695 176.930 -0.235 1
1 297 . 14 1 1 A 25 25 THR CA C 25 66.636 65.476 1.160 1
1 298 . 14 1 1 A 25 25 THR CB C 25 68.177 68.288 -0.111 1
1 300 . 14 1 1 A 25 25 THR N N 25 117.219 112.235 4.984 1
1 301 . 14 1 1 A 26 26 ALA H H 26 7.755 7.953 -0.198 1
1 302 . 14 1 1 A 26 26 ALA HA H 26 3.427 3.636 -0.209 1
1 306 . 14 1 1 A 26 26 ALA C C 26 176.844 180.224 -3.380 1
1 307 . 14 1 1 A 26 26 ALA CA C 26 55.025 55.311 -0.286 1
1 308 . 14 1 1 A 26 26 ALA CB C 26 17.772 17.399 0.373 1
1 309 . 14 1 1 A 26 26 ALA N N 26 125.147 122.750 2.397 1
1 310 . 14 1 1 A 27 27 GLU H H 27 8.412 8.745 -0.333 1
1 311 . 14 1 1 A 27 27 GLU HA H 27 2.758 3.625 -0.867 1
1 316 . 14 1 1 A 27 27 GLU C C 27 177.417 179.649 -2.232 1
1 317 . 14 1 1 A 27 27 GLU CA C 27 59.932 59.240 0.692 1
1 318 . 14 1 1 A 27 27 GLU CB C 27 28.943 29.301 -0.358 1
1 320 . 14 1 1 A 27 27 GLU N N 27 119.203 117.935 1.268 1
1 321 . 14 1 1 A 28 28 LYS H H 28 7.013 7.307 -0.294 1
1 322 . 14 1 1 A 28 28 LYS HA H 28 3.626 3.992 -0.366 1
1 329 . 14 1 1 A 28 28 LYS C C 28 178.802 178.504 0.298 1
1 330 . 14 1 1 A 28 28 LYS CA C 28 59.572 58.740 0.832 1
1 331 . 14 1 1 A 28 28 LYS CB C 28 32.290 32.572 -0.282 1
1 335 . 14 1 1 A 28 28 LYS N N 28 116.415 119.765 -3.350 1
1 336 . 14 1 1 A 29 29 TYR H H 29 7.815 8.528 -0.713 1
1 337 . 14 1 1 A 29 29 TYR HA H 29 3.841 4.261 -0.420 1
1 344 . 14 1 1 A 29 29 TYR C C 29 178.466 177.676 0.790 1
1 345 . 14 1 1 A 29 29 TYR CA C 29 61.703 61.477 0.226 1
1 346 . 14 1 1 A 29 29 TYR CB C 29 38.193 39.027 -0.834 1
1 351 . 14 1 1 A 29 29 TYR N N 29 119.360 121.334 -1.974 1
1 352 . 14 1 1 A 30 30 PHE H H 30 8.979 9.295 -0.316 1
1 353 . 14 1 1 A 30 30 PHE HA H 30 4.451 4.307 0.144 1
1 360 . 14 1 1 A 30 30 PHE C C 30 178.342 177.916 0.426 1
1 361 . 14 1 1 A 30 30 PHE CA C 30 59.395 62.249 -2.854 1
1 362 . 14 1 1 A 30 30 PHE CB C 30 37.451 38.260 -0.809 1
1 367 . 14 1 1 A 30 30 PHE N N 30 119.088 118.238 0.850 1
1 368 . 14 1 1 A 31 31 LYS H H 31 8.464 7.911 0.553 1
1 369 . 14 1 1 A 31 31 LYS HA H 31 3.983 4.339 -0.356 1
1 376 . 14 1 1 A 31 31 LYS C C 31 179.506 179.302 0.204 1
1 377 . 14 1 1 A 31 31 LYS CA C 31 60.031 59.736 0.295 1
1 378 . 14 1 1 A 31 31 LYS CB C 31 31.236 32.307 -1.071 1
1 381 . 14 1 1 A 31 31 LYS N N 31 122.220 121.114 1.106 1
1 382 . 14 1 1 A 32 32 LEU H H 32 7.314 7.916 -0.602 1
1 383 . 14 1 1 A 32 32 LEU HA H 32 3.990 3.952 0.038 1
1 390 . 14 1 1 A 32 32 LEU C C 32 179.565 178.905 0.660 1
1 391 . 14 1 1 A 32 32 LEU CA C 32 58.069 57.754 0.315 1
1 392 . 14 1 1 A 32 32 LEU CB C 32 41.329 41.179 0.150 1
1 395 . 14 1 1 A 32 32 LEU N N 32 120.642 119.384 1.258 1
1 396 . 14 1 1 A 33 33 TYR H H 33 8.018 8.492 -0.474 1
1 397 . 14 1 1 A 33 33 TYR HA H 33 3.999 4.029 -0.030 1
1 405 . 14 1 1 A 33 33 TYR C C 33 177.598 177.990 -0.392 1
1 406 . 14 1 1 A 33 33 TYR CA C 33 61.107 62.075 -0.968 1
1 407 . 14 1 1 A 33 33 TYR CB C 33 39.081 38.477 0.604 1
1 412 . 14 1 1 A 33 33 TYR N N 33 122.222 119.390 2.832 1
1 413 . 14 1 1 A 34 34 ALA H H 34 8.794 8.647 0.147 1
1 414 . 14 1 1 A 34 34 ALA HA H 34 3.783 4.249 -0.466 1
1 418 . 14 1 1 A 34 34 ALA C C 34 179.307 179.681 -0.374 1
1 419 . 14 1 1 A 34 34 ALA CA C 34 54.459 55.011 -0.552 1
1 420 . 14 1 1 A 34 34 ALA CB C 34 18.376 18.272 0.104 1
1 421 . 14 1 1 A 34 34 ALA N N 34 119.675 121.517 -1.842 1
1 422 . 14 1 1 A 35 35 ASN H H 35 8.156 8.220 -0.064 1
1 423 . 14 1 1 A 35 35 ASN HA H 35 4.489 4.555 -0.066 1
1 426 . 14 1 1 A 35 35 ASN C C 35 177.869 176.600 1.269 1
1 427 . 14 1 1 A 35 35 ASN CA C 35 56.410 55.767 0.643 1
1 428 . 14 1 1 A 35 35 ASN CB C 35 38.339 38.372 -0.033 1
1 429 . 14 1 1 A 35 35 ASN N N 35 117.882 116.978 0.904 1
1 430 . 14 1 1 A 36 36 ALA H H 36 7.804 7.510 0.294 1
1 431 . 14 1 1 A 36 36 ALA HA H 36 4.087 4.219 -0.132 1
1 435 . 14 1 1 A 36 36 ALA C C 36 178.579 179.421 -0.842 1
1 436 . 14 1 1 A 36 36 ALA CA C 36 53.893 53.715 0.178 1
1 437 . 14 1 1 A 36 36 ALA CB C 36 17.782 19.208 -1.426 1
1 438 . 14 1 1 A 36 36 ALA N N 36 121.244 122.104 -0.860 1
1 439 . 14 1 1 A 37 37 LYS H H 37 7.380 7.988 -0.608 1
1 440 . 14 1 1 A 37 37 LYS HA H 37 4.164 3.844 0.320 1
1 447 . 14 1 1 A 37 37 LYS C C 37 175.831 178.664 -2.833 1
1 448 . 14 1 1 A 37 37 LYS CA C 37 56.020 59.086 -3.066 1
1 449 . 14 1 1 A 37 37 LYS CB C 37 32.876 32.042 0.834 1
1 453 . 14 1 1 A 37 37 LYS N N 37 116.585 117.428 -0.843 1
1 454 . 14 1 1 A 38 38 THR H H 38 7.891 7.968 -0.077 1
1 455 . 14 1 1 A 38 38 THR HA H 38 4.144 4.511 -0.367 1
1 460 . 14 1 1 A 38 38 THR C C 38 172.820 172.820 0.000 1
1 461 . 14 1 1 A 38 38 THR CA C 38 61.719 63.568 -1.849 1
1 462 . 14 1 1 A 38 38 THR CB C 38 68.688 69.848 -1.160 1
1 464 . 14 1 1 A 38 38 THR N N 38 113.375 112.519 0.856 1
1 465 . 14 1 1 A 39 39 VAL H H 39 7.939 7.482 0.457 1
1 466 . 14 1 1 A 39 39 VAL HA H 39 4.148 4.706 -0.558 1
1 471 . 14 1 1 A 39 39 VAL C C 39 174.525 174.194 0.331 1
1 472 . 14 1 1 A 39 39 VAL CA C 39 62.125 60.096 2.029 1
1 473 . 14 1 1 A 39 39 VAL CB C 39 32.720 36.257 -3.537 1
1 475 . 14 1 1 A 39 39 VAL N N 39 120.564 117.532 3.032 1
1 476 . 14 1 1 A 40 40 GLU H H 40 8.586 8.578 0.008 1
1 477 . 14 1 1 A 40 40 GLU HA H 40 4.533 4.965 -0.432 1
1 482 . 14 1 1 A 40 40 GLU C C 40 175.158 175.944 -0.786 1
1 483 . 14 1 1 A 40 40 GLU CA C 40 55.211 55.567 -0.356 1
1 484 . 14 1 1 A 40 40 GLU CB C 40 31.130 30.584 0.546 1
1 486 . 14 1 1 A 40 40 GLU N N 40 126.113 122.809 3.304 1
1 487 . 14 1 1 A 41 41 GLY H H 41 8.042 8.598 -0.556 1
1 488 . 14 1 1 A 41 41 GLY HA2 H 41 4.059 4.062 -0.003 1
1 489 . 14 1 1 A 41 41 GLY HA3 H 41 3.533 4.122 -0.589 1
1 490 . 14 1 1 A 41 41 GLY C C 41 174.994 173.038 1.956 1
1 491 . 14 1 1 A 41 41 GLY CA C 41 45.300 44.522 0.778 1
1 492 . 14 1 1 A 41 41 GLY N N 41 107.727 112.745 -5.018 1
1 493 . 14 1 1 A 42 42 VAL H H 42 8.349 8.163 0.186 1
1 494 . 14 1 1 A 42 42 VAL HA H 42 4.303 4.208 0.095 1
1 499 . 14 1 1 A 42 42 VAL C C 42 176.649 175.891 0.758 1
1 500 . 14 1 1 A 42 42 VAL CA C 42 62.243 61.891 0.352 1
1 501 . 14 1 1 A 42 42 VAL CB C 42 33.763 32.653 1.110 1
1 503 . 14 1 1 A 42 42 VAL N N 42 121.379 119.106 2.273 1
1 504 . 14 1 1 A 43 43 TRP H H 43 9.250 9.130 0.120 1
1 505 . 14 1 1 A 43 43 TRP HA H 43 5.104 5.359 -0.255 1
1 514 . 14 1 1 A 43 43 TRP C C 43 177.089 176.294 0.795 1
1 515 . 14 1 1 A 43 43 TRP CA C 43 57.991 56.119 1.872 1
1 516 . 14 1 1 A 43 43 TRP CB C 43 29.904 33.033 -3.129 1
1 521 . 14 1 1 A 43 43 TRP N N 43 130.568 123.538 7.030 1
1 523 . 14 1 1 A 44 44 THR H H 44 9.219 9.348 -0.129 1
1 524 . 14 1 1 A 44 44 THR HA H 44 4.694 5.149 -0.455 1
1 529 . 14 1 1 A 44 44 THR C C 44 172.706 172.353 0.353 1
1 530 . 14 1 1 A 44 44 THR CA C 44 60.957 61.476 -0.519 1
1 531 . 14 1 1 A 44 44 THR CB C 44 72.616 71.177 1.439 1
1 533 . 14 1 1 A 44 44 THR N N 44 114.918 117.181 -2.263 1
1 534 . 14 1 1 A 45 45 TYR H H 45 8.553 9.206 -0.653 1
1 535 . 14 1 1 A 45 45 TYR HA H 45 5.002 4.917 0.085 1
1 540 . 14 1 1 A 45 45 TYR C C 45 173.745 174.278 -0.533 1
1 541 . 14 1 1 A 45 45 TYR CA C 45 57.249 57.537 -0.288 1
1 542 . 14 1 1 A 45 45 TYR CB C 45 41.719 40.475 1.244 1
1 545 . 14 1 1 A 45 45 TYR N N 45 121.490 128.807 -7.317 1
1 546 . 14 1 1 A 46 46 LYS H H 46 7.348 7.620 -0.272 1
1 547 . 14 1 1 A 46 46 LYS HA H 46 4.222 4.399 -0.177 1
1 554 . 14 1 1 A 46 46 LYS C C 46 175.715 175.338 0.377 1
1 555 . 14 1 1 A 46 46 LYS CA C 46 53.576 54.347 -0.771 1
1 556 . 14 1 1 A 46 46 LYS CB C 46 33.582 32.528 1.054 1
1 560 . 14 1 1 A 46 46 LYS N N 46 129.620 127.228 2.392 1
1 561 . 14 1 1 A 47 47 ASP H H 47 8.578 8.348 0.230 1
1 562 . 14 1 1 A 47 47 ASP HA H 47 4.126 4.007 0.119 1
1 565 . 14 1 1 A 47 47 ASP C C 47 179.207 177.370 1.837 1
1 566 . 14 1 1 A 47 47 ASP CA C 47 57.191 56.515 0.676 1
1 567 . 14 1 1 A 47 47 ASP CB C 47 41.969 40.493 1.476 1
1 568 . 14 1 1 A 47 47 ASP N N 47 125.757 125.400 0.357 1
1 569 . 14 1 1 A 48 48 GLU H H 48 9.445 7.818 1.627 1
1 570 . 14 1 1 A 48 48 GLU HA H 48 3.918 4.030 -0.112 1
1 575 . 14 1 1 A 48 48 GLU C C 48 177.578 176.995 0.583 1
1 576 . 14 1 1 A 48 48 GLU CA C 48 60.066 58.786 1.280 1
1 577 . 14 1 1 A 48 48 GLU CB C 48 29.343 29.563 -0.220 1
1 579 . 14 1 1 A 48 48 GLU N N 48 117.612 118.538 -0.926 1
1 580 . 14 1 1 A 49 49 THR H H 49 6.624 7.346 -0.722 1
1 581 . 14 1 1 A 49 49 THR HA H 49 4.414 4.523 -0.109 1
1 586 . 14 1 1 A 49 49 THR C C 49 175.232 173.728 1.504 1
1 587 . 14 1 1 A 49 49 THR CA C 49 59.873 60.892 -1.019 1
1 588 . 14 1 1 A 49 49 THR CB C 49 69.188 69.914 -0.726 1
1 590 . 14 1 1 A 49 49 THR N N 49 103.078 109.977 -6.899 1
1 591 . 14 1 1 A 50 50 LYS H H 50 7.828 7.467 0.361 1
1 592 . 14 1 1 A 50 50 LYS HA H 50 4.139 4.088 0.051 1
1 597 . 14 1 1 A 50 50 LYS C C 50 174.786 174.934 -0.148 1
1 598 . 14 1 1 A 50 50 LYS CA C 50 55.981 56.791 -0.810 1
1 599 . 14 1 1 A 50 50 LYS CB C 50 29.258 30.192 -0.934 1
1 602 . 14 1 1 A 50 50 LYS N N 50 123.628 118.057 5.571 1
1 603 . 14 1 1 A 51 51 THR H H 51 7.216 7.276 -0.060 1
1 604 . 14 1 1 A 51 51 THR HA H 51 5.433 5.313 0.120 1
1 609 . 14 1 1 A 51 51 THR C C 51 174.574 173.310 1.264 1
1 610 . 14 1 1 A 51 51 THR CA C 51 62.224 61.521 0.703 1
1 611 . 14 1 1 A 51 51 THR CB C 51 72.346 71.693 0.653 1
1 613 . 14 1 1 A 51 51 THR N N 51 110.763 114.027 -3.264 1
1 614 . 14 1 1 A 52 52 PHE H H 52 10.222 9.546 0.676 1
1 615 . 14 1 1 A 52 52 PHE HA H 52 5.447 5.401 0.046 1
1 622 . 14 1 1 A 52 52 PHE C C 52 174.401 175.518 -1.117 1
1 623 . 14 1 1 A 52 52 PHE CA C 52 57.269 57.649 -0.380 1
1 624 . 14 1 1 A 52 52 PHE CB C 52 42.143 41.545 0.598 1
1 629 . 14 1 1 A 52 52 PHE N N 52 130.993 125.915 5.078 1
1 630 . 14 1 1 A 53 53 THR H H 53 9.099 8.961 0.138 1
1 631 . 14 1 1 A 53 53 THR HA H 53 5.108 5.061 0.047 1
1 636 . 14 1 1 A 53 53 THR C C 53 172.565 172.627 -0.062 1
1 637 . 14 1 1 A 53 53 THR CA C 53 61.737 61.655 0.082 1
1 638 . 14 1 1 A 53 53 THR CB C 53 70.663 71.092 -0.429 1
1 640 . 14 1 1 A 53 53 THR N N 53 117.968 115.142 2.826 1
1 641 . 14 1 1 A 54 54 VAL H H 54 8.496 8.590 -0.094 1
1 642 . 14 1 1 A 54 54 VAL HA H 54 4.410 5.303 -0.893 1
1 650 . 14 1 1 A 54 54 VAL C C 54 173.790 173.589 0.201 1
1 651 . 14 1 1 A 54 54 VAL CA C 54 59.103 59.311 -0.208 1
1 652 . 14 1 1 A 54 54 VAL CB C 54 32.651 34.222 -1.571 1
1 655 . 14 1 1 A 54 54 VAL N N 54 125.071 126.557 -1.486 1
1 656 . 14 1 1 A 55 55 THR H H 55 8.265 8.391 -0.126 1
1 657 . 14 1 1 A 55 55 THR HA H 55 4.792 4.808 -0.016 1
1 662 . 14 1 1 A 55 55 THR C C 55 173.789 172.996 0.793 1
1 663 . 14 1 1 A 55 55 THR CA C 55 61.035 59.642 1.393 1
1 664 . 14 1 1 A 55 55 THR CB C 55 71.261 71.233 0.028 1
1 666 . 14 1 1 A 55 55 THR N N 55 122.202 121.358 0.844 1
1 10 . 15 1 1 A 2 2 THR H H 2 8.719 8.512 0.207 1
1 11 . 15 1 1 A 2 2 THR HA H 2 4.251 4.646 -0.395 1
1 16 . 15 1 1 A 2 2 THR C C 2 172.951 173.775 -0.824 1
1 17 . 15 1 1 A 2 2 THR CA C 2 63.748 62.092 1.656 1
1 18 . 15 1 1 A 2 2 THR CB C 2 68.568 69.234 -0.666 1
1 20 . 15 1 1 A 2 2 THR N N 2 123.894 119.343 4.551 1
1 21 . 15 1 1 A 3 3 TYR H H 3 8.841 9.408 -0.567 1
1 22 . 15 1 1 A 3 3 TYR HA H 3 5.289 5.315 -0.026 1
1 29 . 15 1 1 A 3 3 TYR C C 3 173.975 174.959 -0.984 1
1 30 . 15 1 1 A 3 3 TYR CA C 3 57.850 56.699 1.151 1
1 31 . 15 1 1 A 3 3 TYR CB C 3 43.043 40.394 2.649 1
1 36 . 15 1 1 A 3 3 TYR N N 3 127.370 126.964 0.406 1
1 37 . 15 1 1 A 4 4 LYS H H 4 8.791 9.160 -0.369 1
1 38 . 15 1 1 A 4 4 LYS HA H 4 5.344 5.402 -0.058 1
1 43 . 15 1 1 A 4 4 LYS C C 4 173.055 174.523 -1.468 1
1 44 . 15 1 1 A 4 4 LYS CA C 4 54.537 55.124 -0.587 1
1 45 . 15 1 1 A 4 4 LYS CB C 4 35.881 35.663 0.218 1
1 48 . 15 1 1 A 4 4 LYS N N 4 121.038 124.959 -3.921 1
1 49 . 15 1 1 A 5 5 LEU H H 5 9.005 8.770 0.235 1
1 50 . 15 1 1 A 5 5 LEU HA H 5 4.889 4.955 -0.066 1
1 60 . 15 1 1 A 5 5 LEU C C 5 174.789 174.760 0.029 1
1 61 . 15 1 1 A 5 5 LEU CA C 5 52.566 53.688 -1.122 1
1 62 . 15 1 1 A 5 5 LEU CB C 5 44.174 45.169 -0.995 1
1 65 . 15 1 1 A 5 5 LEU N N 5 126.547 126.441 0.106 1
1 66 . 15 1 1 A 6 6 ILE H H 6 9.104 8.463 0.641 1
1 67 . 15 1 1 A 6 6 ILE HA H 6 4.970 4.938 0.032 1
1 71 . 15 1 1 A 6 6 ILE C C 6 174.690 174.325 0.365 1
1 72 . 15 1 1 A 6 6 ILE CA C 6 60.313 59.364 0.949 1
1 73 . 15 1 1 A 6 6 ILE CB C 6 38.652 40.732 -2.080 1
1 76 . 15 1 1 A 6 6 ILE N N 6 126.502 122.409 4.093 1
1 77 . 15 1 1 A 7 7 LEU H H 7 8.907 9.658 -0.751 1
1 78 . 15 1 1 A 7 7 LEU HA H 7 4.452 5.634 -1.182 1
1 88 . 15 1 1 A 7 7 LEU C C 7 174.573 175.577 -1.004 1
1 89 . 15 1 1 A 7 7 LEU CA C 7 54.010 52.964 1.046 1
1 90 . 15 1 1 A 7 7 LEU CB C 7 41.072 44.341 -3.269 1
1 93 . 15 1 1 A 7 7 LEU N N 7 126.037 127.922 -1.885 1
1 94 . 15 1 1 A 8 8 ASN H H 8 8.941 8.553 0.388 1
1 95 . 15 1 1 A 8 8 ASN HA H 8 4.943 5.239 -0.296 1
1 100 . 15 1 1 A 8 8 ASN C C 8 174.323 173.428 0.895 1
1 101 . 15 1 1 A 8 8 ASN CA C 8 51.785 52.046 -0.261 1
1 102 . 15 1 1 A 8 8 ASN CB C 8 38.008 39.337 -1.329 1
1 103 . 15 1 1 A 8 8 ASN N N 8 125.436 122.743 2.693 1
1 105 . 15 1 1 A 9 9 LEU H H 9 7.636 7.985 -0.349 1
1 106 . 15 1 1 A 9 9 LEU HA H 9 4.548 4.533 0.015 1
1 113 . 15 1 1 A 9 9 LEU C C 9 177.230 178.048 -0.818 1
1 114 . 15 1 1 A 9 9 LEU CA C 9 53.502 53.949 -0.447 1
1 115 . 15 1 1 A 9 9 LEU CB C 9 41.569 43.606 -2.037 1
1 118 . 15 1 1 A 9 9 LEU N N 9 121.638 121.522 0.116 1
1 119 . 15 1 1 A 10 10 LYS H H 10 9.138 8.905 0.233 1
1 120 . 15 1 1 A 10 10 LYS HA H 10 3.964 3.925 0.039 1
1 127 . 15 1 1 A 10 10 LYS C C 10 179.119 178.510 0.609 1
1 128 . 15 1 1 A 10 10 LYS CA C 10 59.786 60.592 -0.806 1
1 129 . 15 1 1 A 10 10 LYS CB C 10 31.825 32.180 -0.355 1
1 133 . 15 1 1 A 10 10 LYS N N 10 120.948 120.638 0.310 1
1 134 . 15 1 1 A 11 11 GLN H H 11 8.432 7.689 0.743 1
1 135 . 15 1 1 A 11 11 GLN HA H 11 4.325 4.123 0.202 1
1 140 . 15 1 1 A 11 11 GLN C C 11 175.294 175.537 -0.243 1
1 141 . 15 1 1 A 11 11 GLN CA C 11 55.903 58.399 -2.496 1
1 142 . 15 1 1 A 11 11 GLN CB C 11 29.207 29.422 -0.215 1
1 144 . 15 1 1 A 11 11 GLN N N 11 113.252 118.422 -5.170 1
1 145 . 15 1 1 A 12 12 ALA H H 12 7.079 7.496 -0.417 1
1 146 . 15 1 1 A 12 12 ALA HA H 12 4.318 4.447 -0.129 1
1 150 . 15 1 1 A 12 12 ALA C C 12 174.190 174.764 -0.574 1
1 151 . 15 1 1 A 12 12 ALA CA C 12 52.507 51.507 1.000 1
1 152 . 15 1 1 A 12 12 ALA CB C 12 21.479 21.794 -0.315 1
1 153 . 15 1 1 A 12 12 ALA N N 12 120.435 117.744 2.691 1
1 154 . 15 1 1 A 13 13 LYS H H 13 8.156 8.431 -0.275 1
1 155 . 15 1 1 A 13 13 LYS HA H 13 5.197 4.929 0.268 1
1 162 . 15 1 1 A 13 13 LYS C C 13 176.127 175.844 0.283 1
1 163 . 15 1 1 A 13 13 LYS CA C 13 55.036 55.040 -0.004 1
1 164 . 15 1 1 A 13 13 LYS CB C 13 33.890 33.697 0.193 1
1 168 . 15 1 1 A 13 13 LYS N N 13 120.644 118.806 1.838 1
1 169 . 15 1 1 A 14 14 GLU H H 14 8.545 9.499 -0.954 1
1 170 . 15 1 1 A 14 14 GLU HA H 14 4.629 5.283 -0.654 1
1 175 . 15 1 1 A 14 14 GLU C C 14 173.875 175.280 -1.405 1
1 176 . 15 1 1 A 14 14 GLU CA C 14 54.680 54.758 -0.078 1
1 177 . 15 1 1 A 14 14 GLU CB C 14 34.319 33.385 0.934 1
1 179 . 15 1 1 A 14 14 GLU N N 14 123.133 123.320 -0.187 1
1 180 . 15 1 1 A 15 15 GLU H H 15 8.532 9.061 -0.529 1
1 181 . 15 1 1 A 15 15 GLU HA H 15 5.465 5.299 0.166 1
1 186 . 15 1 1 A 15 15 GLU C C 15 175.284 174.675 0.609 1
1 188 . 15 1 1 A 15 15 GLU N N 15 120.437 119.718 0.719 1
1 189 . 15 1 1 A 16 16 ALA H H 16 9.161 8.798 0.363 1
1 190 . 15 1 1 A 16 16 ALA HA H 16 4.731 4.888 -0.157 1
1 194 . 15 1 1 A 16 16 ALA C C 16 174.936 175.265 -0.329 1
1 195 . 15 1 1 A 16 16 ALA CA C 16 51.278 51.292 -0.014 1
1 196 . 15 1 1 A 16 16 ALA CB C 16 22.037 23.867 -1.830 1
1 197 . 15 1 1 A 16 16 ALA N N 16 126.588 121.417 5.171 1
1 198 . 15 1 1 A 17 17 ILE H H 17 8.387 8.818 -0.431 1
1 199 . 15 1 1 A 17 17 ILE HA H 17 5.325 5.073 0.252 1
1 206 . 15 1 1 A 17 17 ILE C C 17 176.066 173.767 2.299 1
1 210 . 15 1 1 A 17 17 ILE N N 17 117.620 119.528 -1.908 1
1 211 . 15 1 1 A 18 18 LYS H H 18 9.152 9.634 -0.482 1
1 212 . 15 1 1 A 18 18 LYS HA H 18 4.385 4.935 -0.550 1
1 221 . 15 1 1 A 18 18 LYS C C 18 173.587 175.873 -2.286 1
1 222 . 15 1 1 A 18 18 LYS CA C 18 55.084 54.544 0.540 1
1 223 . 15 1 1 A 18 18 LYS CB C 18 36.862 36.237 0.625 1
1 227 . 15 1 1 A 18 18 LYS N N 18 125.563 128.058 -2.495 1
1 228 . 15 1 1 A 19 19 GLU H H 19 8.337 8.659 -0.322 1
1 229 . 15 1 1 A 19 19 GLU HA H 19 4.907 4.925 -0.018 1
1 234 . 15 1 1 A 19 19 GLU C C 19 175.687 175.653 0.034 1
1 235 . 15 1 1 A 19 19 GLU CA C 19 55.679 55.875 -0.196 1
1 236 . 15 1 1 A 19 19 GLU CB C 19 29.158 30.855 -1.697 1
1 238 . 15 1 1 A 19 19 GLU N N 19 127.836 121.939 5.897 1
1 239 . 15 1 1 A 20 20 LEU H H 20 8.710 9.420 -0.710 1
1 240 . 15 1 1 A 20 20 LEU HA H 20 4.798 4.845 -0.047 1
1 247 . 15 1 1 A 20 20 LEU C C 20 177.829 176.413 1.416 1
1 248 . 15 1 1 A 20 20 LEU CA C 20 53.519 53.041 0.478 1
1 249 . 15 1 1 A 20 20 LEU CB C 20 47.902 45.867 2.035 1
1 252 . 15 1 1 A 20 20 LEU N N 20 127.240 122.112 5.128 1
1 253 . 15 1 1 A 21 21 VAL H H 21 8.236 8.726 -0.490 1
1 254 . 15 1 1 A 21 21 VAL HA H 21 3.947 4.304 -0.357 1
1 259 . 15 1 1 A 21 21 VAL C C 21 175.301 175.480 -0.179 1
1 260 . 15 1 1 A 21 21 VAL CA C 21 64.879 62.464 2.415 1
1 261 . 15 1 1 A 21 21 VAL CB C 21 32.290 32.915 -0.625 1
1 263 . 15 1 1 A 21 21 VAL N N 21 116.513 118.332 -1.819 1
1 264 . 15 1 1 A 22 22 ASP H H 22 7.071 7.828 -0.757 1
1 265 . 15 1 1 A 22 22 ASP HA H 22 4.028 5.032 -1.004 1
1 268 . 15 1 1 A 22 22 ASP C C 22 172.221 175.324 -3.103 1
1 269 . 15 1 1 A 22 22 ASP CA C 22 52.983 53.242 -0.259 1
1 270 . 15 1 1 A 22 22 ASP CB C 22 42.107 43.892 -1.785 1
1 271 . 15 1 1 A 22 22 ASP N N 22 115.040 120.390 -5.350 1
1 272 . 15 1 1 A 23 23 ALA H H 23 8.332 8.906 -0.574 1
1 273 . 15 1 1 A 23 23 ALA HA H 23 4.136 4.029 0.107 1
1 277 . 15 1 1 A 23 23 ALA C C 23 179.560 179.667 -0.107 1
1 278 . 15 1 1 A 23 23 ALA CA C 23 55.215 55.047 0.168 1
1 279 . 15 1 1 A 23 23 ALA CB C 23 17.337 18.554 -1.217 1
1 280 . 15 1 1 A 23 23 ALA N N 23 121.322 124.568 -3.246 1
1 281 . 15 1 1 A 24 24 ALA H H 24 8.168 8.149 0.019 1
1 282 . 15 1 1 A 24 24 ALA HA H 24 4.000 4.018 -0.018 1
1 286 . 15 1 1 A 24 24 ALA C C 24 181.170 179.458 1.712 1
1 287 . 15 1 1 A 24 24 ALA CA C 24 54.771 55.076 -0.305 1
1 288 . 15 1 1 A 24 24 ALA CB C 24 17.274 18.653 -1.379 1
1 289 . 15 1 1 A 24 24 ALA N N 24 122.440 120.124 2.316 1
1 290 . 15 1 1 A 25 25 THR H H 25 8.444 8.073 0.371 1
1 291 . 15 1 1 A 25 25 THR HA H 25 3.924 3.861 0.063 1
1 296 . 15 1 1 A 25 25 THR C C 25 176.695 176.246 0.449 1
1 297 . 15 1 1 A 25 25 THR CA C 25 66.636 66.439 0.197 1
1 298 . 15 1 1 A 25 25 THR CB C 25 68.177 68.406 -0.229 1
1 300 . 15 1 1 A 25 25 THR N N 25 117.219 113.351 3.868 1
1 301 . 15 1 1 A 26 26 ALA H H 26 7.755 8.018 -0.263 1
1 302 . 15 1 1 A 26 26 ALA HA H 26 3.427 3.626 -0.199 1
1 306 . 15 1 1 A 26 26 ALA C C 26 176.844 178.985 -2.141 1
1 307 . 15 1 1 A 26 26 ALA CA C 26 55.025 55.527 -0.502 1
1 308 . 15 1 1 A 26 26 ALA CB C 26 17.772 17.608 0.164 1
1 309 . 15 1 1 A 26 26 ALA N N 26 125.147 123.094 2.053 1
1 310 . 15 1 1 A 27 27 GLU H H 27 8.412 9.081 -0.669 1
1 311 . 15 1 1 A 27 27 GLU HA H 27 2.758 3.779 -1.021 1
1 316 . 15 1 1 A 27 27 GLU C C 27 177.417 178.955 -1.538 1
1 317 . 15 1 1 A 27 27 GLU CA C 27 59.932 59.283 0.649 1
1 318 . 15 1 1 A 27 27 GLU CB C 27 28.943 29.092 -0.149 1
1 320 . 15 1 1 A 27 27 GLU N N 27 119.203 118.232 0.971 1
1 321 . 15 1 1 A 28 28 LYS H H 28 7.013 7.832 -0.819 1
1 322 . 15 1 1 A 28 28 LYS HA H 28 3.626 4.007 -0.381 1
1 329 . 15 1 1 A 28 28 LYS C C 28 178.802 178.483 0.319 1
1 330 . 15 1 1 A 28 28 LYS CA C 28 59.572 59.094 0.478 1
1 331 . 15 1 1 A 28 28 LYS CB C 28 32.290 32.174 0.116 1
1 335 . 15 1 1 A 28 28 LYS N N 28 116.415 119.290 -2.875 1
1 336 . 15 1 1 A 29 29 TYR H H 29 7.815 8.302 -0.487 1
1 337 . 15 1 1 A 29 29 TYR HA H 29 3.841 4.224 -0.383 1
1 344 . 15 1 1 A 29 29 TYR C C 29 178.466 177.488 0.978 1
1 345 . 15 1 1 A 29 29 TYR CA C 29 61.703 61.707 -0.004 1
1 346 . 15 1 1 A 29 29 TYR CB C 29 38.193 39.041 -0.848 1
1 351 . 15 1 1 A 29 29 TYR N N 29 119.360 121.109 -1.749 1
1 352 . 15 1 1 A 30 30 PHE H H 30 8.979 8.974 0.005 1
1 353 . 15 1 1 A 30 30 PHE HA H 30 4.451 4.386 0.065 1
1 360 . 15 1 1 A 30 30 PHE C C 30 178.342 177.963 0.379 1
1 361 . 15 1 1 A 30 30 PHE CA C 30 59.395 61.998 -2.603 1
1 362 . 15 1 1 A 30 30 PHE CB C 30 37.451 38.289 -0.838 1
1 367 . 15 1 1 A 30 30 PHE N N 30 119.088 118.231 0.857 1
1 368 . 15 1 1 A 31 31 LYS H H 31 8.464 7.954 0.510 1
1 369 . 15 1 1 A 31 31 LYS HA H 31 3.983 4.311 -0.328 1
1 376 . 15 1 1 A 31 31 LYS C C 31 179.506 179.360 0.146 1
1 377 . 15 1 1 A 31 31 LYS CA C 31 60.031 59.823 0.208 1
1 378 . 15 1 1 A 31 31 LYS CB C 31 31.236 32.159 -0.923 1
1 381 . 15 1 1 A 31 31 LYS N N 31 122.220 120.222 1.998 1
1 382 . 15 1 1 A 32 32 LEU H H 32 7.314 7.996 -0.682 1
1 383 . 15 1 1 A 32 32 LEU HA H 32 3.990 4.022 -0.032 1
1 390 . 15 1 1 A 32 32 LEU C C 32 179.565 178.967 0.598 1
1 391 . 15 1 1 A 32 32 LEU CA C 32 58.069 57.654 0.415 1
1 392 . 15 1 1 A 32 32 LEU CB C 32 41.329 41.101 0.228 1
1 395 . 15 1 1 A 32 32 LEU N N 32 120.642 119.512 1.130 1
1 396 . 15 1 1 A 33 33 TYR H H 33 8.018 8.256 -0.238 1
1 397 . 15 1 1 A 33 33 TYR HA H 33 3.999 4.116 -0.117 1
1 405 . 15 1 1 A 33 33 TYR C C 33 177.598 177.787 -0.189 1
1 406 . 15 1 1 A 33 33 TYR CA C 33 61.107 61.695 -0.588 1
1 407 . 15 1 1 A 33 33 TYR CB C 33 39.081 38.908 0.173 1
1 412 . 15 1 1 A 33 33 TYR N N 33 122.222 119.716 2.506 1
1 413 . 15 1 1 A 34 34 ALA H H 34 8.794 8.527 0.267 1
1 414 . 15 1 1 A 34 34 ALA HA H 34 3.783 4.250 -0.467 1
1 418 . 15 1 1 A 34 34 ALA C C 34 179.307 179.760 -0.453 1
1 419 . 15 1 1 A 34 34 ALA CA C 34 54.459 55.084 -0.625 1
1 420 . 15 1 1 A 34 34 ALA CB C 34 18.376 18.104 0.272 1
1 421 . 15 1 1 A 34 34 ALA N N 34 119.675 121.612 -1.937 1
1 422 . 15 1 1 A 35 35 ASN H H 35 8.156 8.011 0.145 1
1 423 . 15 1 1 A 35 35 ASN HA H 35 4.489 4.590 -0.101 1
1 426 . 15 1 1 A 35 35 ASN C C 35 177.869 177.353 0.516 1
1 427 . 15 1 1 A 35 35 ASN CA C 35 56.410 55.650 0.760 1
1 428 . 15 1 1 A 35 35 ASN CB C 35 38.339 38.634 -0.295 1
1 429 . 15 1 1 A 35 35 ASN N N 35 117.882 116.707 1.175 1
1 430 . 15 1 1 A 36 36 ALA H H 36 7.804 7.845 -0.041 1
1 431 . 15 1 1 A 36 36 ALA HA H 36 4.087 4.031 0.056 1
1 435 . 15 1 1 A 36 36 ALA C C 36 178.579 179.381 -0.802 1
1 436 . 15 1 1 A 36 36 ALA CA C 36 53.893 55.222 -1.329 1
1 437 . 15 1 1 A 36 36 ALA CB C 36 17.782 18.547 -0.765 1
1 438 . 15 1 1 A 36 36 ALA N N 36 121.244 122.028 -0.784 1
1 439 . 15 1 1 A 37 37 LYS H H 37 7.380 8.117 -0.737 1
1 440 . 15 1 1 A 37 37 LYS HA H 37 4.164 3.787 0.377 1
1 447 . 15 1 1 A 37 37 LYS C C 37 175.831 176.792 -0.961 1
1 448 . 15 1 1 A 37 37 LYS CA C 37 56.020 59.182 -3.162 1
1 449 . 15 1 1 A 37 37 LYS CB C 37 32.876 31.740 1.136 1
1 453 . 15 1 1 A 37 37 LYS N N 37 116.585 116.884 -0.299 1
1 454 . 15 1 1 A 38 38 THR H H 38 7.891 7.528 0.363 1
1 455 . 15 1 1 A 38 38 THR HA H 38 4.144 4.735 -0.591 1
1 460 . 15 1 1 A 38 38 THR C C 38 172.820 174.085 -1.265 1
1 461 . 15 1 1 A 38 38 THR CA C 38 61.719 60.400 1.319 1
1 462 . 15 1 1 A 38 38 THR CB C 38 68.688 70.051 -1.363 1
1 464 . 15 1 1 A 38 38 THR N N 38 113.375 109.221 4.154 1
1 465 . 15 1 1 A 39 39 VAL H H 39 7.939 8.180 -0.241 1
1 466 . 15 1 1 A 39 39 VAL HA H 39 4.148 4.563 -0.415 1
1 471 . 15 1 1 A 39 39 VAL C C 39 174.525 175.215 -0.690 1
1 472 . 15 1 1 A 39 39 VAL CA C 39 62.125 59.764 2.361 1
1 473 . 15 1 1 A 39 39 VAL CB C 39 32.720 34.077 -1.357 1
1 475 . 15 1 1 A 39 39 VAL N N 39 120.564 115.529 5.035 1
1 476 . 15 1 1 A 40 40 GLU H H 40 8.586 8.685 -0.099 1
1 477 . 15 1 1 A 40 40 GLU HA H 40 4.533 5.069 -0.536 1
1 482 . 15 1 1 A 40 40 GLU C C 40 175.158 175.871 -0.713 1
1 483 . 15 1 1 A 40 40 GLU CA C 40 55.211 55.408 -0.197 1
1 484 . 15 1 1 A 40 40 GLU CB C 40 31.130 31.729 -0.599 1
1 486 . 15 1 1 A 40 40 GLU N N 40 126.113 120.240 5.873 1
1 487 . 15 1 1 A 41 41 GLY H H 41 8.042 8.665 -0.623 1
1 488 . 15 1 1 A 41 41 GLY HA2 H 41 4.059 4.253 -0.194 1
1 489 . 15 1 1 A 41 41 GLY HA3 H 41 3.533 4.306 -0.773 1
1 490 . 15 1 1 A 41 41 GLY C C 41 174.994 172.461 2.533 1
1 491 . 15 1 1 A 41 41 GLY CA C 41 45.300 45.852 -0.552 1
1 492 . 15 1 1 A 41 41 GLY N N 41 107.727 109.178 -1.451 1
1 493 . 15 1 1 A 42 42 VAL H H 42 8.349 8.190 0.159 1
1 494 . 15 1 1 A 42 42 VAL HA H 42 4.303 4.262 0.041 1
1 499 . 15 1 1 A 42 42 VAL C C 42 176.649 175.299 1.350 1
1 500 . 15 1 1 A 42 42 VAL CA C 42 62.243 62.254 -0.011 1
1 501 . 15 1 1 A 42 42 VAL CB C 42 33.763 32.658 1.105 1
1 503 . 15 1 1 A 42 42 VAL N N 42 121.379 120.565 0.814 1
1 504 . 15 1 1 A 43 43 TRP H H 43 9.250 9.046 0.204 1
1 505 . 15 1 1 A 43 43 TRP HA H 43 5.104 5.359 -0.255 1
1 514 . 15 1 1 A 43 43 TRP C C 43 177.089 175.442 1.647 1
1 515 . 15 1 1 A 43 43 TRP CA C 43 57.991 56.156 1.835 1
1 516 . 15 1 1 A 43 43 TRP CB C 43 29.904 33.045 -3.141 1
1 521 . 15 1 1 A 43 43 TRP N N 43 130.568 127.022 3.546 1
1 523 . 15 1 1 A 44 44 THR H H 44 9.219 8.965 0.254 1
1 524 . 15 1 1 A 44 44 THR HA H 44 4.694 5.078 -0.384 1
1 529 . 15 1 1 A 44 44 THR C C 44 172.706 172.852 -0.146 1
1 530 . 15 1 1 A 44 44 THR CA C 44 60.957 61.182 -0.225 1
1 531 . 15 1 1 A 44 44 THR CB C 44 72.616 72.525 0.091 1
1 533 . 15 1 1 A 44 44 THR N N 44 114.918 115.654 -0.736 1
1 534 . 15 1 1 A 45 45 TYR H H 45 8.553 8.979 -0.426 1
1 535 . 15 1 1 A 45 45 TYR HA H 45 5.002 5.296 -0.294 1
1 540 . 15 1 1 A 45 45 TYR C C 45 173.745 173.793 -0.048 1
1 541 . 15 1 1 A 45 45 TYR CA C 45 57.249 56.203 1.046 1
1 542 . 15 1 1 A 45 45 TYR CB C 45 41.719 42.456 -0.737 1
1 545 . 15 1 1 A 45 45 TYR N N 45 121.490 126.260 -4.770 1
1 546 . 15 1 1 A 46 46 LYS H H 46 7.348 8.444 -1.096 1
1 547 . 15 1 1 A 46 46 LYS HA H 46 4.222 4.757 -0.535 1
1 554 . 15 1 1 A 46 46 LYS C C 46 175.715 175.744 -0.029 1
1 555 . 15 1 1 A 46 46 LYS CA C 46 53.576 54.597 -1.021 1
1 556 . 15 1 1 A 46 46 LYS CB C 46 33.582 34.811 -1.229 1
1 560 . 15 1 1 A 46 46 LYS N N 46 129.620 126.713 2.907 1
1 561 . 15 1 1 A 47 47 ASP H H 47 8.578 8.804 -0.226 1
1 562 . 15 1 1 A 47 47 ASP HA H 47 4.126 4.799 -0.673 1
1 565 . 15 1 1 A 47 47 ASP C C 47 179.207 176.254 2.953 1
1 566 . 15 1 1 A 47 47 ASP CA C 47 57.191 53.975 3.216 1
1 567 . 15 1 1 A 47 47 ASP CB C 47 41.969 41.185 0.784 1
1 568 . 15 1 1 A 47 47 ASP N N 47 125.757 125.957 -0.200 1
1 569 . 15 1 1 A 48 48 GLU H H 48 9.445 8.137 1.308 1
1 570 . 15 1 1 A 48 48 GLU HA H 48 3.918 4.192 -0.274 1
1 575 . 15 1 1 A 48 48 GLU C C 48 177.578 176.739 0.839 1
1 576 . 15 1 1 A 48 48 GLU CA C 48 60.066 57.851 2.215 1
1 577 . 15 1 1 A 48 48 GLU CB C 48 29.343 30.842 -1.499 1
1 579 . 15 1 1 A 48 48 GLU N N 48 117.612 120.115 -2.503 1
1 580 . 15 1 1 A 49 49 THR H H 49 6.624 7.583 -0.959 1
1 581 . 15 1 1 A 49 49 THR HA H 49 4.414 4.500 -0.086 1
1 586 . 15 1 1 A 49 49 THR C C 49 175.232 173.854 1.378 1
1 587 . 15 1 1 A 49 49 THR CA C 49 59.873 60.832 -0.959 1
1 588 . 15 1 1 A 49 49 THR CB C 49 69.188 69.872 -0.684 1
1 590 . 15 1 1 A 49 49 THR N N 49 103.078 110.363 -7.285 1
1 591 . 15 1 1 A 50 50 LYS H H 50 7.828 7.849 -0.021 1
1 592 . 15 1 1 A 50 50 LYS HA H 50 4.139 4.056 0.083 1
1 597 . 15 1 1 A 50 50 LYS C C 50 174.786 174.977 -0.191 1
1 598 . 15 1 1 A 50 50 LYS CA C 50 55.981 56.688 -0.707 1
1 599 . 15 1 1 A 50 50 LYS CB C 50 29.258 30.681 -1.423 1
1 602 . 15 1 1 A 50 50 LYS N N 50 123.628 117.747 5.881 1
1 603 . 15 1 1 A 51 51 THR H H 51 7.216 7.241 -0.025 1
1 604 . 15 1 1 A 51 51 THR HA H 51 5.433 5.273 0.160 1
1 609 . 15 1 1 A 51 51 THR C C 51 174.574 173.239 1.335 1
1 610 . 15 1 1 A 51 51 THR CA C 51 62.224 61.263 0.961 1
1 611 . 15 1 1 A 51 51 THR CB C 51 72.346 71.927 0.419 1
1 613 . 15 1 1 A 51 51 THR N N 51 110.763 113.978 -3.215 1
1 614 . 15 1 1 A 52 52 PHE H H 52 10.222 9.236 0.986 1
1 615 . 15 1 1 A 52 52 PHE HA H 52 5.447 5.340 0.107 1
1 622 . 15 1 1 A 52 52 PHE C C 52 174.401 175.355 -0.954 1
1 623 . 15 1 1 A 52 52 PHE CA C 52 57.269 57.507 -0.238 1
1 624 . 15 1 1 A 52 52 PHE CB C 52 42.143 41.467 0.676 1
1 629 . 15 1 1 A 52 52 PHE N N 52 130.993 125.239 5.754 1
1 630 . 15 1 1 A 53 53 THR H H 53 9.099 9.414 -0.315 1
1 631 . 15 1 1 A 53 53 THR HA H 53 5.108 4.997 0.111 1
1 636 . 15 1 1 A 53 53 THR C C 53 172.565 172.677 -0.112 1
1 637 . 15 1 1 A 53 53 THR CA C 53 61.737 61.627 0.110 1
1 638 . 15 1 1 A 53 53 THR CB C 53 70.663 71.090 -0.427 1
1 640 . 15 1 1 A 53 53 THR N N 53 117.968 115.077 2.891 1
1 641 . 15 1 1 A 54 54 VAL H H 54 8.496 8.615 -0.119 1
1 642 . 15 1 1 A 54 54 VAL HA H 54 4.410 5.243 -0.833 1
1 650 . 15 1 1 A 54 54 VAL C C 54 173.790 173.404 0.386 1
1 651 . 15 1 1 A 54 54 VAL CA C 54 59.103 59.592 -0.489 1
1 652 . 15 1 1 A 54 54 VAL CB C 54 32.651 34.113 -1.462 1
1 655 . 15 1 1 A 54 54 VAL N N 54 125.071 126.540 -1.469 1
1 656 . 15 1 1 A 55 55 THR H H 55 8.265 8.260 0.005 1
1 657 . 15 1 1 A 55 55 THR HA H 55 4.792 5.010 -0.218 1
1 662 . 15 1 1 A 55 55 THR C C 55 173.789 171.937 1.852 1
1 663 . 15 1 1 A 55 55 THR CA C 55 61.035 59.802 1.233 1
1 664 . 15 1 1 A 55 55 THR CB C 55 71.261 71.469 -0.208 1
1 666 . 15 1 1 A 55 55 THR N N 55 122.202 121.620 0.582 1
1 10 . 16 1 1 A 2 2 THR H H 2 8.719 8.475 0.244 1
1 11 . 16 1 1 A 2 2 THR HA H 2 4.251 4.646 -0.395 1
1 16 . 16 1 1 A 2 2 THR C C 2 172.951 172.412 0.539 1
1 17 . 16 1 1 A 2 2 THR CA C 2 63.748 61.263 2.485 1
1 18 . 16 1 1 A 2 2 THR CB C 2 68.568 69.466 -0.898 1
1 20 . 16 1 1 A 2 2 THR N N 2 123.894 116.723 7.171 1
1 21 . 16 1 1 A 3 3 TYR H H 3 8.841 9.637 -0.796 1
1 22 . 16 1 1 A 3 3 TYR HA H 3 5.289 5.154 0.135 1
1 29 . 16 1 1 A 3 3 TYR C C 3 173.975 174.946 -0.971 1
1 30 . 16 1 1 A 3 3 TYR CA C 3 57.850 56.914 0.936 1
1 31 . 16 1 1 A 3 3 TYR CB C 3 43.043 40.772 2.271 1
1 36 . 16 1 1 A 3 3 TYR N N 3 127.370 128.266 -0.896 1
1 37 . 16 1 1 A 4 4 LYS H H 4 8.791 9.127 -0.336 1
1 38 . 16 1 1 A 4 4 LYS HA H 4 5.344 5.368 -0.024 1
1 43 . 16 1 1 A 4 4 LYS C C 4 173.055 174.573 -1.518 1
1 44 . 16 1 1 A 4 4 LYS CA C 4 54.537 55.078 -0.541 1
1 45 . 16 1 1 A 4 4 LYS CB C 4 35.881 35.734 0.147 1
1 48 . 16 1 1 A 4 4 LYS N N 4 121.038 124.098 -3.060 1
1 49 . 16 1 1 A 5 5 LEU H H 5 9.005 9.038 -0.033 1
1 50 . 16 1 1 A 5 5 LEU HA H 5 4.889 5.292 -0.403 1
1 60 . 16 1 1 A 5 5 LEU C C 5 174.789 173.765 1.024 1
1 61 . 16 1 1 A 5 5 LEU CA C 5 52.566 53.071 -0.505 1
1 62 . 16 1 1 A 5 5 LEU CB C 5 44.174 45.329 -1.155 1
1 65 . 16 1 1 A 5 5 LEU N N 5 126.547 127.835 -1.288 1
1 66 . 16 1 1 A 6 6 ILE H H 6 9.104 8.884 0.220 1
1 67 . 16 1 1 A 6 6 ILE HA H 6 4.970 5.102 -0.132 1
1 71 . 16 1 1 A 6 6 ILE C C 6 174.690 173.885 0.805 1
1 72 . 16 1 1 A 6 6 ILE CA C 6 60.313 59.192 1.121 1
1 73 . 16 1 1 A 6 6 ILE CB C 6 38.652 41.490 -2.838 1
1 76 . 16 1 1 A 6 6 ILE N N 6 126.502 125.105 1.397 1
1 77 . 16 1 1 A 7 7 LEU H H 7 8.907 9.575 -0.668 1
1 78 . 16 1 1 A 7 7 LEU HA H 7 4.452 5.762 -1.310 1
1 88 . 16 1 1 A 7 7 LEU C C 7 174.573 175.638 -1.065 1
1 89 . 16 1 1 A 7 7 LEU CA C 7 54.010 53.122 0.888 1
1 90 . 16 1 1 A 7 7 LEU CB C 7 41.072 45.584 -4.512 1
1 93 . 16 1 1 A 7 7 LEU N N 7 126.037 129.298 -3.261 1
1 94 . 16 1 1 A 8 8 ASN H H 8 8.941 8.501 0.440 1
1 95 . 16 1 1 A 8 8 ASN HA H 8 4.943 5.223 -0.280 1
1 100 . 16 1 1 A 8 8 ASN C C 8 174.323 174.299 0.024 1
1 101 . 16 1 1 A 8 8 ASN CA C 8 51.785 52.082 -0.297 1
1 102 . 16 1 1 A 8 8 ASN CB C 8 38.008 39.341 -1.333 1
1 103 . 16 1 1 A 8 8 ASN N N 8 125.436 123.079 2.357 1
1 105 . 16 1 1 A 9 9 LEU H H 9 7.636 8.200 -0.564 1
1 106 . 16 1 1 A 9 9 LEU HA H 9 4.548 4.661 -0.113 1
1 113 . 16 1 1 A 9 9 LEU C C 9 177.230 178.497 -1.267 1
1 114 . 16 1 1 A 9 9 LEU CA C 9 53.502 53.676 -0.174 1
1 115 . 16 1 1 A 9 9 LEU CB C 9 41.569 42.442 -0.873 1
1 118 . 16 1 1 A 9 9 LEU N N 9 121.638 126.439 -4.801 1
1 119 . 16 1 1 A 10 10 LYS H H 10 9.138 8.719 0.419 1
1 120 . 16 1 1 A 10 10 LYS HA H 10 3.964 3.981 -0.017 1
1 127 . 16 1 1 A 10 10 LYS C C 10 179.119 178.647 0.472 1
1 128 . 16 1 1 A 10 10 LYS CA C 10 59.786 59.417 0.369 1
1 129 . 16 1 1 A 10 10 LYS CB C 10 31.825 32.243 -0.418 1
1 133 . 16 1 1 A 10 10 LYS N N 10 120.948 122.629 -1.681 1
1 134 . 16 1 1 A 11 11 GLN H H 11 8.432 7.665 0.767 1
1 135 . 16 1 1 A 11 11 GLN HA H 11 4.325 4.179 0.146 1
1 140 . 16 1 1 A 11 11 GLN C C 11 175.294 175.472 -0.178 1
1 141 . 16 1 1 A 11 11 GLN CA C 11 55.903 57.941 -2.038 1
1 142 . 16 1 1 A 11 11 GLN CB C 11 29.207 29.882 -0.675 1
1 144 . 16 1 1 A 11 11 GLN N N 11 113.252 118.479 -5.227 1
1 145 . 16 1 1 A 12 12 ALA H H 12 7.079 7.597 -0.518 1
1 146 . 16 1 1 A 12 12 ALA HA H 12 4.318 4.602 -0.284 1
1 150 . 16 1 1 A 12 12 ALA C C 12 174.190 174.534 -0.344 1
1 151 . 16 1 1 A 12 12 ALA CA C 12 52.507 51.234 1.273 1
1 152 . 16 1 1 A 12 12 ALA CB C 12 21.479 23.152 -1.673 1
1 153 . 16 1 1 A 12 12 ALA N N 12 120.435 118.576 1.859 1
1 154 . 16 1 1 A 13 13 LYS H H 13 8.156 8.473 -0.317 1
1 155 . 16 1 1 A 13 13 LYS HA H 13 5.197 4.639 0.558 1
1 162 . 16 1 1 A 13 13 LYS C C 13 176.127 175.289 0.838 1
1 163 . 16 1 1 A 13 13 LYS CA C 13 55.036 55.328 -0.292 1
1 164 . 16 1 1 A 13 13 LYS CB C 13 33.890 33.854 0.036 1
1 168 . 16 1 1 A 13 13 LYS N N 13 120.644 120.542 0.102 1
1 169 . 16 1 1 A 14 14 GLU H H 14 8.545 9.068 -0.523 1
1 170 . 16 1 1 A 14 14 GLU HA H 14 4.629 5.046 -0.417 1
1 175 . 16 1 1 A 14 14 GLU C C 14 173.875 176.033 -2.158 1
1 176 . 16 1 1 A 14 14 GLU CA C 14 54.680 54.922 -0.242 1
1 177 . 16 1 1 A 14 14 GLU CB C 14 34.319 32.459 1.860 1
1 179 . 16 1 1 A 14 14 GLU N N 14 123.133 126.019 -2.886 1
1 180 . 16 1 1 A 15 15 GLU H H 15 8.532 8.854 -0.322 1
1 181 . 16 1 1 A 15 15 GLU HA H 15 5.465 5.114 0.351 1
1 186 . 16 1 1 A 15 15 GLU C C 15 175.284 175.078 0.206 1
1 188 . 16 1 1 A 15 15 GLU N N 15 120.437 123.091 -2.654 1
1 189 . 16 1 1 A 16 16 ALA H H 16 9.161 8.450 0.711 1
1 190 . 16 1 1 A 16 16 ALA HA H 16 4.731 4.856 -0.125 1
1 194 . 16 1 1 A 16 16 ALA C C 16 174.936 175.288 -0.352 1
1 195 . 16 1 1 A 16 16 ALA CA C 16 51.278 51.292 -0.014 1
1 196 . 16 1 1 A 16 16 ALA CB C 16 22.037 23.724 -1.687 1
1 197 . 16 1 1 A 16 16 ALA N N 16 126.588 122.443 4.145 1
1 198 . 16 1 1 A 17 17 ILE H H 17 8.387 8.831 -0.444 1
1 199 . 16 1 1 A 17 17 ILE HA H 17 5.325 5.282 0.043 1
1 206 . 16 1 1 A 17 17 ILE C C 17 176.066 173.557 2.509 1
1 210 . 16 1 1 A 17 17 ILE N N 17 117.620 119.547 -1.927 1
1 211 . 16 1 1 A 18 18 LYS H H 18 9.152 9.622 -0.470 1
1 212 . 16 1 1 A 18 18 LYS HA H 18 4.385 4.892 -0.507 1
1 221 . 16 1 1 A 18 18 LYS C C 18 173.587 175.239 -1.652 1
1 222 . 16 1 1 A 18 18 LYS CA C 18 55.084 54.671 0.413 1
1 223 . 16 1 1 A 18 18 LYS CB C 18 36.862 35.831 1.031 1
1 227 . 16 1 1 A 18 18 LYS N N 18 125.563 128.062 -2.499 1
1 228 . 16 1 1 A 19 19 GLU H H 19 8.337 8.555 -0.218 1
1 229 . 16 1 1 A 19 19 GLU HA H 19 4.907 4.975 -0.068 1
1 234 . 16 1 1 A 19 19 GLU C C 19 175.687 175.858 -0.171 1
1 235 . 16 1 1 A 19 19 GLU CA C 19 55.679 56.203 -0.524 1
1 236 . 16 1 1 A 19 19 GLU CB C 19 29.158 30.573 -1.415 1
1 238 . 16 1 1 A 19 19 GLU N N 19 127.836 123.291 4.545 1
1 239 . 16 1 1 A 20 20 LEU H H 20 8.710 8.991 -0.281 1
1 240 . 16 1 1 A 20 20 LEU HA H 20 4.798 4.778 0.020 1
1 247 . 16 1 1 A 20 20 LEU C C 20 177.829 176.577 1.252 1
1 248 . 16 1 1 A 20 20 LEU CA C 20 53.519 53.059 0.460 1
1 249 . 16 1 1 A 20 20 LEU CB C 20 47.902 45.590 2.312 1
1 252 . 16 1 1 A 20 20 LEU N N 20 127.240 124.335 2.905 1
1 253 . 16 1 1 A 21 21 VAL H H 21 8.236 8.593 -0.357 1
1 254 . 16 1 1 A 21 21 VAL HA H 21 3.947 4.099 -0.152 1
1 259 . 16 1 1 A 21 21 VAL C C 21 175.301 175.376 -0.075 1
1 260 . 16 1 1 A 21 21 VAL CA C 21 64.879 63.845 1.034 1
1 261 . 16 1 1 A 21 21 VAL CB C 21 32.290 32.465 -0.175 1
1 263 . 16 1 1 A 21 21 VAL N N 21 116.513 119.298 -2.785 1
1 264 . 16 1 1 A 22 22 ASP H H 22 7.071 7.855 -0.784 1
1 265 . 16 1 1 A 22 22 ASP HA H 22 4.028 5.004 -0.976 1
1 268 . 16 1 1 A 22 22 ASP C C 22 172.221 175.643 -3.422 1
1 269 . 16 1 1 A 22 22 ASP CA C 22 52.983 53.025 -0.042 1
1 270 . 16 1 1 A 22 22 ASP CB C 22 42.107 43.862 -1.755 1
1 271 . 16 1 1 A 22 22 ASP N N 22 115.040 117.257 -2.217 1
1 272 . 16 1 1 A 23 23 ALA H H 23 8.332 8.900 -0.568 1
1 273 . 16 1 1 A 23 23 ALA HA H 23 4.136 3.880 0.256 1
1 277 . 16 1 1 A 23 23 ALA C C 23 179.560 179.440 0.120 1
1 278 . 16 1 1 A 23 23 ALA CA C 23 55.215 54.947 0.268 1
1 279 . 16 1 1 A 23 23 ALA CB C 23 17.337 18.747 -1.410 1
1 280 . 16 1 1 A 23 23 ALA N N 23 121.322 122.859 -1.537 1
1 281 . 16 1 1 A 24 24 ALA H H 24 8.168 8.106 0.062 1
1 282 . 16 1 1 A 24 24 ALA HA H 24 4.000 3.997 0.003 1
1 286 . 16 1 1 A 24 24 ALA C C 24 181.170 179.926 1.244 1
1 287 . 16 1 1 A 24 24 ALA CA C 24 54.771 55.220 -0.449 1
1 288 . 16 1 1 A 24 24 ALA CB C 24 17.274 18.854 -1.580 1
1 289 . 16 1 1 A 24 24 ALA N N 24 122.440 120.156 2.284 1
1 290 . 16 1 1 A 25 25 THR H H 25 8.444 7.791 0.653 1
1 291 . 16 1 1 A 25 25 THR HA H 25 3.924 3.857 0.067 1
1 296 . 16 1 1 A 25 25 THR C C 25 176.695 176.810 -0.115 1
1 297 . 16 1 1 A 25 25 THR CA C 25 66.636 65.444 1.192 1
1 298 . 16 1 1 A 25 25 THR CB C 25 68.177 68.260 -0.083 1
1 300 . 16 1 1 A 25 25 THR N N 25 117.219 112.501 4.718 1
1 301 . 16 1 1 A 26 26 ALA H H 26 7.755 7.722 0.033 1
1 302 . 16 1 1 A 26 26 ALA HA H 26 3.427 3.592 -0.165 1
1 306 . 16 1 1 A 26 26 ALA C C 26 176.844 180.205 -3.361 1
1 307 . 16 1 1 A 26 26 ALA CA C 26 55.025 55.125 -0.100 1
1 308 . 16 1 1 A 26 26 ALA CB C 26 17.772 17.443 0.329 1
1 309 . 16 1 1 A 26 26 ALA N N 26 125.147 122.528 2.619 1
1 310 . 16 1 1 A 27 27 GLU H H 27 8.412 8.739 -0.327 1
1 311 . 16 1 1 A 27 27 GLU HA H 27 2.758 3.710 -0.952 1
1 316 . 16 1 1 A 27 27 GLU C C 27 177.417 179.423 -2.006 1
1 317 . 16 1 1 A 27 27 GLU CA C 27 59.932 59.367 0.565 1
1 318 . 16 1 1 A 27 27 GLU CB C 27 28.943 29.215 -0.272 1
1 320 . 16 1 1 A 27 27 GLU N N 27 119.203 117.988 1.215 1
1 321 . 16 1 1 A 28 28 LYS H H 28 7.013 7.631 -0.618 1
1 322 . 16 1 1 A 28 28 LYS HA H 28 3.626 4.001 -0.375 1
1 329 . 16 1 1 A 28 28 LYS C C 28 178.802 178.362 0.440 1
1 330 . 16 1 1 A 28 28 LYS CA C 28 59.572 58.730 0.842 1
1 331 . 16 1 1 A 28 28 LYS CB C 28 32.290 32.439 -0.149 1
1 335 . 16 1 1 A 28 28 LYS N N 28 116.415 119.717 -3.302 1
1 336 . 16 1 1 A 29 29 TYR H H 29 7.815 8.627 -0.812 1
1 337 . 16 1 1 A 29 29 TYR HA H 29 3.841 4.259 -0.418 1
1 344 . 16 1 1 A 29 29 TYR C C 29 178.466 177.529 0.937 1
1 345 . 16 1 1 A 29 29 TYR CA C 29 61.703 61.460 0.243 1
1 346 . 16 1 1 A 29 29 TYR CB C 29 38.193 39.050 -0.857 1
1 351 . 16 1 1 A 29 29 TYR N N 29 119.360 121.173 -1.813 1
1 352 . 16 1 1 A 30 30 PHE H H 30 8.979 9.247 -0.268 1
1 353 . 16 1 1 A 30 30 PHE HA H 30 4.451 4.394 0.057 1
1 360 . 16 1 1 A 30 30 PHE C C 30 178.342 178.280 0.062 1
1 361 . 16 1 1 A 30 30 PHE CA C 30 59.395 61.755 -2.360 1
1 362 . 16 1 1 A 30 30 PHE CB C 30 37.451 38.350 -0.899 1
1 367 . 16 1 1 A 30 30 PHE N N 30 119.088 118.424 0.664 1
1 368 . 16 1 1 A 31 31 LYS H H 31 8.464 8.138 0.326 1
1 369 . 16 1 1 A 31 31 LYS HA H 31 3.983 4.515 -0.532 1
1 376 . 16 1 1 A 31 31 LYS C C 31 179.506 179.224 0.282 1
1 377 . 16 1 1 A 31 31 LYS CA C 31 60.031 59.514 0.517 1
1 378 . 16 1 1 A 31 31 LYS CB C 31 31.236 31.863 -0.627 1
1 381 . 16 1 1 A 31 31 LYS N N 31 122.220 121.517 0.703 1
1 382 . 16 1 1 A 32 32 LEU H H 32 7.314 8.033 -0.719 1
1 383 . 16 1 1 A 32 32 LEU HA H 32 3.990 4.082 -0.092 1
1 390 . 16 1 1 A 32 32 LEU C C 32 179.565 178.815 0.750 1
1 391 . 16 1 1 A 32 32 LEU CA C 32 58.069 57.461 0.608 1
1 392 . 16 1 1 A 32 32 LEU CB C 32 41.329 41.281 0.048 1
1 395 . 16 1 1 A 32 32 LEU N N 32 120.642 119.265 1.377 1
1 396 . 16 1 1 A 33 33 TYR H H 33 8.018 8.116 -0.098 1
1 397 . 16 1 1 A 33 33 TYR HA H 33 3.999 4.134 -0.135 1
1 405 . 16 1 1 A 33 33 TYR C C 33 177.598 177.894 -0.296 1
1 406 . 16 1 1 A 33 33 TYR CA C 33 61.107 61.371 -0.264 1
1 407 . 16 1 1 A 33 33 TYR CB C 33 39.081 39.178 -0.097 1
1 412 . 16 1 1 A 33 33 TYR N N 33 122.222 120.020 2.202 1
1 413 . 16 1 1 A 34 34 ALA H H 34 8.794 8.356 0.438 1
1 414 . 16 1 1 A 34 34 ALA HA H 34 3.783 4.277 -0.494 1
1 418 . 16 1 1 A 34 34 ALA C C 34 179.307 180.068 -0.761 1
1 419 . 16 1 1 A 34 34 ALA CA C 34 54.459 54.904 -0.445 1
1 420 . 16 1 1 A 34 34 ALA CB C 34 18.376 18.001 0.375 1
1 421 . 16 1 1 A 34 34 ALA N N 34 119.675 121.613 -1.938 1
1 422 . 16 1 1 A 35 35 ASN H H 35 8.156 8.114 0.042 1
1 423 . 16 1 1 A 35 35 ASN HA H 35 4.489 4.501 -0.012 1
1 426 . 16 1 1 A 35 35 ASN C C 35 177.869 176.971 0.898 1
1 427 . 16 1 1 A 35 35 ASN CA C 35 56.410 55.773 0.637 1
1 428 . 16 1 1 A 35 35 ASN CB C 35 38.339 38.663 -0.324 1
1 429 . 16 1 1 A 35 35 ASN N N 35 117.882 117.082 0.800 1
1 430 . 16 1 1 A 36 36 ALA H H 36 7.804 7.554 0.250 1
1 431 . 16 1 1 A 36 36 ALA HA H 36 4.087 4.248 -0.161 1
1 435 . 16 1 1 A 36 36 ALA C C 36 178.579 179.208 -0.629 1
1 436 . 16 1 1 A 36 36 ALA CA C 36 53.893 54.672 -0.779 1
1 437 . 16 1 1 A 36 36 ALA CB C 36 17.782 19.465 -1.683 1
1 438 . 16 1 1 A 36 36 ALA N N 36 121.244 121.465 -0.221 1
1 439 . 16 1 1 A 37 37 LYS H H 37 7.380 7.684 -0.304 1
1 440 . 16 1 1 A 37 37 LYS HA H 37 4.164 3.804 0.360 1
1 447 . 16 1 1 A 37 37 LYS C C 37 175.831 175.936 -0.105 1
1 448 . 16 1 1 A 37 37 LYS CA C 37 56.020 58.693 -2.673 1
1 449 . 16 1 1 A 37 37 LYS CB C 37 32.876 32.080 0.796 1
1 453 . 16 1 1 A 37 37 LYS N N 37 116.585 117.986 -1.401 1
1 454 . 16 1 1 A 38 38 THR H H 38 7.891 7.238 0.653 1
1 455 . 16 1 1 A 38 38 THR HA H 38 4.144 4.724 -0.580 1
1 460 . 16 1 1 A 38 38 THR C C 38 172.820 172.651 0.169 1
1 461 . 16 1 1 A 38 38 THR CA C 38 61.719 60.501 1.218 1
1 462 . 16 1 1 A 38 38 THR CB C 38 68.688 71.891 -3.203 1
1 464 . 16 1 1 A 38 38 THR N N 38 113.375 108.765 4.610 1
1 465 . 16 1 1 A 39 39 VAL H H 39 7.939 8.538 -0.599 1
1 466 . 16 1 1 A 39 39 VAL HA H 39 4.148 4.782 -0.634 1
1 471 . 16 1 1 A 39 39 VAL C C 39 174.525 174.737 -0.212 1
1 472 . 16 1 1 A 39 39 VAL CA C 39 62.125 60.270 1.855 1
1 473 . 16 1 1 A 39 39 VAL CB C 39 32.720 33.945 -1.225 1
1 475 . 16 1 1 A 39 39 VAL N N 39 120.564 119.673 0.891 1
1 476 . 16 1 1 A 40 40 GLU H H 40 8.586 8.713 -0.127 1
1 477 . 16 1 1 A 40 40 GLU HA H 40 4.533 5.248 -0.715 1
1 482 . 16 1 1 A 40 40 GLU C C 40 175.158 175.615 -0.457 1
1 483 . 16 1 1 A 40 40 GLU CA C 40 55.211 54.851 0.360 1
1 484 . 16 1 1 A 40 40 GLU CB C 40 31.130 32.127 -0.997 1
1 486 . 16 1 1 A 40 40 GLU N N 40 126.113 123.744 2.369 1
1 487 . 16 1 1 A 41 41 GLY H H 41 8.042 8.441 -0.399 1
1 488 . 16 1 1 A 41 41 GLY HA2 H 41 4.059 4.274 -0.215 1
1 489 . 16 1 1 A 41 41 GLY HA3 H 41 3.533 4.329 -0.796 1
1 490 . 16 1 1 A 41 41 GLY C C 41 174.994 171.957 3.037 1
1 491 . 16 1 1 A 41 41 GLY CA C 41 45.300 46.166 -0.866 1
1 492 . 16 1 1 A 41 41 GLY N N 41 107.727 111.177 -3.450 1
1 493 . 16 1 1 A 42 42 VAL H H 42 8.349 8.676 -0.327 1
1 494 . 16 1 1 A 42 42 VAL HA H 42 4.303 4.365 -0.062 1
1 499 . 16 1 1 A 42 42 VAL C C 42 176.649 175.927 0.722 1
1 500 . 16 1 1 A 42 42 VAL CA C 42 62.243 63.146 -0.903 1
1 501 . 16 1 1 A 42 42 VAL CB C 42 33.763 31.888 1.875 1
1 503 . 16 1 1 A 42 42 VAL N N 42 121.379 121.945 -0.566 1
1 504 . 16 1 1 A 43 43 TRP H H 43 9.250 9.249 0.001 1
1 505 . 16 1 1 A 43 43 TRP HA H 43 5.104 5.249 -0.145 1
1 514 . 16 1 1 A 43 43 TRP C C 43 177.089 176.057 1.032 1
1 515 . 16 1 1 A 43 43 TRP CA C 43 57.991 56.861 1.130 1
1 516 . 16 1 1 A 43 43 TRP CB C 43 29.904 31.274 -1.370 1
1 521 . 16 1 1 A 43 43 TRP N N 43 130.568 129.194 1.374 1
1 523 . 16 1 1 A 44 44 THR H H 44 9.219 9.084 0.135 1
1 524 . 16 1 1 A 44 44 THR HA H 44 4.694 4.744 -0.050 1
1 529 . 16 1 1 A 44 44 THR C C 44 172.706 172.587 0.119 1
1 530 . 16 1 1 A 44 44 THR CA C 44 60.957 61.535 -0.578 1
1 531 . 16 1 1 A 44 44 THR CB C 44 72.616 72.117 0.499 1
1 533 . 16 1 1 A 44 44 THR N N 44 114.918 115.374 -0.456 1
1 534 . 16 1 1 A 45 45 TYR H H 45 8.553 8.934 -0.381 1
1 535 . 16 1 1 A 45 45 TYR HA H 45 5.002 4.999 0.003 1
1 540 . 16 1 1 A 45 45 TYR C C 45 173.745 173.436 0.309 1
1 541 . 16 1 1 A 45 45 TYR CA C 45 57.249 56.233 1.016 1
1 542 . 16 1 1 A 45 45 TYR CB C 45 41.719 41.906 -0.187 1
1 545 . 16 1 1 A 45 45 TYR N N 45 121.490 126.785 -5.295 1
1 546 . 16 1 1 A 46 46 LYS H H 46 7.348 7.742 -0.394 1
1 547 . 16 1 1 A 46 46 LYS HA H 46 4.222 4.768 -0.546 1
1 554 . 16 1 1 A 46 46 LYS C C 46 175.715 174.908 0.807 1
1 555 . 16 1 1 A 46 46 LYS CA C 46 53.576 54.355 -0.779 1
1 556 . 16 1 1 A 46 46 LYS CB C 46 33.582 34.970 -1.388 1
1 560 . 16 1 1 A 46 46 LYS N N 46 129.620 126.718 2.902 1
1 561 . 16 1 1 A 47 47 ASP H H 47 8.578 8.714 -0.136 1
1 562 . 16 1 1 A 47 47 ASP HA H 47 4.126 4.727 -0.601 1
1 565 . 16 1 1 A 47 47 ASP C C 47 179.207 176.791 2.416 1
1 566 . 16 1 1 A 47 47 ASP CA C 47 57.191 53.507 3.684 1
1 567 . 16 1 1 A 47 47 ASP CB C 47 41.969 40.914 1.055 1
1 568 . 16 1 1 A 47 47 ASP N N 47 125.757 126.785 -1.028 1
1 569 . 16 1 1 A 48 48 GLU H H 48 9.445 8.118 1.327 1
1 570 . 16 1 1 A 48 48 GLU HA H 48 3.918 4.397 -0.479 1
1 575 . 16 1 1 A 48 48 GLU C C 48 177.578 176.993 0.585 1
1 576 . 16 1 1 A 48 48 GLU CA C 48 60.066 57.326 2.740 1
1 577 . 16 1 1 A 48 48 GLU CB C 48 29.343 30.842 -1.499 1
1 579 . 16 1 1 A 48 48 GLU N N 48 117.612 120.263 -2.651 1
1 580 . 16 1 1 A 49 49 THR H H 49 6.624 7.582 -0.958 1
1 581 . 16 1 1 A 49 49 THR HA H 49 4.414 4.525 -0.111 1
1 586 . 16 1 1 A 49 49 THR C C 49 175.232 173.882 1.350 1
1 587 . 16 1 1 A 49 49 THR CA C 49 59.873 61.029 -1.156 1
1 588 . 16 1 1 A 49 49 THR CB C 49 69.188 69.954 -0.766 1
1 590 . 16 1 1 A 49 49 THR N N 49 103.078 110.246 -7.168 1
1 591 . 16 1 1 A 50 50 LYS H H 50 7.828 7.850 -0.022 1
1 592 . 16 1 1 A 50 50 LYS HA H 50 4.139 3.908 0.231 1
1 597 . 16 1 1 A 50 50 LYS C C 50 174.786 175.086 -0.300 1
1 598 . 16 1 1 A 50 50 LYS CA C 50 55.981 56.900 -0.919 1
1 599 . 16 1 1 A 50 50 LYS CB C 50 29.258 30.099 -0.841 1
1 602 . 16 1 1 A 50 50 LYS N N 50 123.628 118.118 5.510 1
1 603 . 16 1 1 A 51 51 THR H H 51 7.216 7.318 -0.102 1
1 604 . 16 1 1 A 51 51 THR HA H 51 5.433 5.378 0.055 1
1 609 . 16 1 1 A 51 51 THR C C 51 174.574 173.401 1.173 1
1 610 . 16 1 1 A 51 51 THR CA C 51 62.224 61.619 0.605 1
1 611 . 16 1 1 A 51 51 THR CB C 51 72.346 71.754 0.592 1
1 613 . 16 1 1 A 51 51 THR N N 51 110.763 113.207 -2.444 1
1 614 . 16 1 1 A 52 52 PHE H H 52 10.222 9.328 0.894 1
1 615 . 16 1 1 A 52 52 PHE HA H 52 5.447 5.307 0.140 1
1 622 . 16 1 1 A 52 52 PHE C C 52 174.401 175.330 -0.929 1
1 623 . 16 1 1 A 52 52 PHE CA C 52 57.269 57.582 -0.313 1
1 624 . 16 1 1 A 52 52 PHE CB C 52 42.143 41.506 0.637 1
1 629 . 16 1 1 A 52 52 PHE N N 52 130.993 125.761 5.232 1
1 630 . 16 1 1 A 53 53 THR H H 53 9.099 9.321 -0.222 1
1 631 . 16 1 1 A 53 53 THR HA H 53 5.108 5.039 0.069 1
1 636 . 16 1 1 A 53 53 THR C C 53 172.565 172.651 -0.086 1
1 637 . 16 1 1 A 53 53 THR CA C 53 61.737 61.522 0.215 1
1 638 . 16 1 1 A 53 53 THR CB C 53 70.663 71.476 -0.813 1
1 640 . 16 1 1 A 53 53 THR N N 53 117.968 114.620 3.348 1
1 641 . 16 1 1 A 54 54 VAL H H 54 8.496 8.954 -0.458 1
1 642 . 16 1 1 A 54 54 VAL HA H 54 4.410 5.119 -0.709 1
1 650 . 16 1 1 A 54 54 VAL C C 54 173.790 173.888 -0.098 1
1 651 . 16 1 1 A 54 54 VAL CA C 54 59.103 60.045 -0.942 1
1 652 . 16 1 1 A 54 54 VAL CB C 54 32.651 34.416 -1.765 1
1 655 . 16 1 1 A 54 54 VAL N N 54 125.071 125.945 -0.874 1
1 656 . 16 1 1 A 55 55 THR H H 55 8.265 8.576 -0.311 1
1 657 . 16 1 1 A 55 55 THR HA H 55 4.792 5.044 -0.252 1
1 662 . 16 1 1 A 55 55 THR C C 55 173.789 172.217 1.572 1
1 663 . 16 1 1 A 55 55 THR CA C 55 61.035 60.327 0.708 1
1 664 . 16 1 1 A 55 55 THR CB C 55 71.261 71.475 -0.214 1
1 666 . 16 1 1 A 55 55 THR N N 55 122.202 120.771 1.431 1
1 10 . 17 1 1 A 2 2 THR H H 2 8.719 8.695 0.024 1
1 11 . 17 1 1 A 2 2 THR HA H 2 4.251 4.280 -0.029 1
1 16 . 17 1 1 A 2 2 THR C C 2 172.951 173.878 -0.927 1
1 17 . 17 1 1 A 2 2 THR CA C 2 63.748 63.235 0.513 1
1 18 . 17 1 1 A 2 2 THR CB C 2 68.568 68.691 -0.123 1
1 20 . 17 1 1 A 2 2 THR N N 2 123.894 116.884 7.010 1
1 21 . 17 1 1 A 3 3 TYR H H 3 8.841 9.364 -0.523 1
1 22 . 17 1 1 A 3 3 TYR HA H 3 5.289 5.419 -0.130 1
1 29 . 17 1 1 A 3 3 TYR C C 3 173.975 174.797 -0.822 1
1 30 . 17 1 1 A 3 3 TYR CA C 3 57.850 56.533 1.317 1
1 31 . 17 1 1 A 3 3 TYR CB C 3 43.043 40.528 2.515 1
1 36 . 17 1 1 A 3 3 TYR N N 3 127.370 127.343 0.027 1
1 37 . 17 1 1 A 4 4 LYS H H 4 8.791 9.195 -0.404 1
1 38 . 17 1 1 A 4 4 LYS HA H 4 5.344 5.325 0.019 1
1 43 . 17 1 1 A 4 4 LYS C C 4 173.055 174.563 -1.508 1
1 44 . 17 1 1 A 4 4 LYS CA C 4 54.537 55.169 -0.632 1
1 45 . 17 1 1 A 4 4 LYS CB C 4 35.881 35.318 0.563 1
1 48 . 17 1 1 A 4 4 LYS N N 4 121.038 125.463 -4.425 1
1 49 . 17 1 1 A 5 5 LEU H H 5 9.005 8.863 0.142 1
1 50 . 17 1 1 A 5 5 LEU HA H 5 4.889 5.112 -0.223 1
1 60 . 17 1 1 A 5 5 LEU C C 5 174.789 173.988 0.801 1
1 61 . 17 1 1 A 5 5 LEU CA C 5 52.566 53.104 -0.538 1
1 62 . 17 1 1 A 5 5 LEU CB C 5 44.174 45.447 -1.273 1
1 65 . 17 1 1 A 5 5 LEU N N 5 126.547 127.330 -0.783 1
1 66 . 17 1 1 A 6 6 ILE H H 6 9.104 8.579 0.525 1
1 67 . 17 1 1 A 6 6 ILE HA H 6 4.970 5.003 -0.033 1
1 71 . 17 1 1 A 6 6 ILE C C 6 174.690 173.839 0.851 1
1 72 . 17 1 1 A 6 6 ILE CA C 6 60.313 59.662 0.651 1
1 73 . 17 1 1 A 6 6 ILE CB C 6 38.652 41.394 -2.742 1
1 76 . 17 1 1 A 6 6 ILE N N 6 126.502 125.113 1.389 1
1 77 . 17 1 1 A 7 7 LEU H H 7 8.907 9.485 -0.578 1
1 78 . 17 1 1 A 7 7 LEU HA H 7 4.452 5.812 -1.360 1
1 88 . 17 1 1 A 7 7 LEU C C 7 174.573 175.533 -0.960 1
1 89 . 17 1 1 A 7 7 LEU CA C 7 54.010 53.050 0.960 1
1 90 . 17 1 1 A 7 7 LEU CB C 7 41.072 43.948 -2.876 1
1 93 . 17 1 1 A 7 7 LEU N N 7 126.037 130.430 -4.393 1
1 94 . 17 1 1 A 8 8 ASN H H 8 8.941 8.731 0.210 1
1 95 . 17 1 1 A 8 8 ASN HA H 8 4.943 5.257 -0.314 1
1 100 . 17 1 1 A 8 8 ASN C C 8 174.323 174.707 -0.384 1
1 101 . 17 1 1 A 8 8 ASN CA C 8 51.785 52.157 -0.372 1
1 102 . 17 1 1 A 8 8 ASN CB C 8 38.008 39.503 -1.495 1
1 103 . 17 1 1 A 8 8 ASN N N 8 125.436 123.280 2.156 1
1 105 . 17 1 1 A 9 9 LEU H H 9 7.636 8.542 -0.906 1
1 106 . 17 1 1 A 9 9 LEU HA H 9 4.548 4.633 -0.085 1
1 113 . 17 1 1 A 9 9 LEU C C 9 177.230 177.531 -0.301 1
1 114 . 17 1 1 A 9 9 LEU CA C 9 53.502 53.790 -0.288 1
1 115 . 17 1 1 A 9 9 LEU CB C 9 41.569 42.545 -0.976 1
1 118 . 17 1 1 A 9 9 LEU N N 9 121.638 125.324 -3.686 1
1 119 . 17 1 1 A 10 10 LYS H H 10 9.138 8.545 0.593 1
1 120 . 17 1 1 A 10 10 LYS HA H 10 3.964 4.489 -0.525 1
1 127 . 17 1 1 A 10 10 LYS C C 10 179.119 176.687 2.432 1
1 128 . 17 1 1 A 10 10 LYS CA C 10 59.786 55.997 3.789 1
1 129 . 17 1 1 A 10 10 LYS CB C 10 31.825 33.138 -1.313 1
1 133 . 17 1 1 A 10 10 LYS N N 10 120.948 122.473 -1.525 1
1 134 . 17 1 1 A 11 11 GLN H H 11 8.432 8.146 0.286 1
1 135 . 17 1 1 A 11 11 GLN HA H 11 4.325 4.536 -0.211 1
1 140 . 17 1 1 A 11 11 GLN C C 11 175.294 175.551 -0.257 1
1 141 . 17 1 1 A 11 11 GLN CA C 11 55.903 56.384 -0.481 1
1 142 . 17 1 1 A 11 11 GLN CB C 11 29.207 30.777 -1.570 1
1 144 . 17 1 1 A 11 11 GLN N N 11 113.252 117.068 -3.816 1
1 145 . 17 1 1 A 12 12 ALA H H 12 7.079 7.680 -0.601 1
1 146 . 17 1 1 A 12 12 ALA HA H 12 4.318 4.820 -0.502 1
1 150 . 17 1 1 A 12 12 ALA C C 12 174.190 175.419 -1.229 1
1 151 . 17 1 1 A 12 12 ALA CA C 12 52.507 51.027 1.480 1
1 152 . 17 1 1 A 12 12 ALA CB C 12 21.479 23.203 -1.724 1
1 153 . 17 1 1 A 12 12 ALA N N 12 120.435 120.508 -0.073 1
1 154 . 17 1 1 A 13 13 LYS H H 13 8.156 8.439 -0.283 1
1 155 . 17 1 1 A 13 13 LYS HA H 13 5.197 4.892 0.305 1
1 162 . 17 1 1 A 13 13 LYS C C 13 176.127 175.835 0.292 1
1 163 . 17 1 1 A 13 13 LYS CA C 13 55.036 55.100 -0.064 1
1 164 . 17 1 1 A 13 13 LYS CB C 13 33.890 33.593 0.297 1
1 168 . 17 1 1 A 13 13 LYS N N 13 120.644 119.052 1.592 1
1 169 . 17 1 1 A 14 14 GLU H H 14 8.545 9.022 -0.477 1
1 170 . 17 1 1 A 14 14 GLU HA H 14 4.629 5.139 -0.510 1
1 175 . 17 1 1 A 14 14 GLU C C 14 173.875 175.354 -1.479 1
1 176 . 17 1 1 A 14 14 GLU CA C 14 54.680 55.036 -0.356 1
1 177 . 17 1 1 A 14 14 GLU CB C 14 34.319 32.599 1.720 1
1 179 . 17 1 1 A 14 14 GLU N N 14 123.133 123.835 -0.702 1
1 180 . 17 1 1 A 15 15 GLU H H 15 8.532 9.053 -0.521 1
1 181 . 17 1 1 A 15 15 GLU HA H 15 5.465 5.197 0.268 1
1 186 . 17 1 1 A 15 15 GLU C C 15 175.284 174.836 0.448 1
1 188 . 17 1 1 A 15 15 GLU N N 15 120.437 121.761 -1.324 1
1 189 . 17 1 1 A 16 16 ALA H H 16 9.161 8.475 0.686 1
1 190 . 17 1 1 A 16 16 ALA HA H 16 4.731 5.164 -0.433 1
1 194 . 17 1 1 A 16 16 ALA C C 16 174.936 175.250 -0.314 1
1 195 . 17 1 1 A 16 16 ALA CA C 16 51.278 50.742 0.536 1
1 196 . 17 1 1 A 16 16 ALA CB C 16 22.037 24.026 -1.989 1
1 197 . 17 1 1 A 16 16 ALA N N 16 126.588 121.942 4.646 1
1 198 . 17 1 1 A 17 17 ILE H H 17 8.387 8.814 -0.427 1
1 199 . 17 1 1 A 17 17 ILE HA H 17 5.325 5.047 0.278 1
1 206 . 17 1 1 A 17 17 ILE C C 17 176.066 173.815 2.251 1
1 210 . 17 1 1 A 17 17 ILE N N 17 117.620 119.462 -1.842 1
1 211 . 17 1 1 A 18 18 LYS H H 18 9.152 9.187 -0.035 1
1 212 . 17 1 1 A 18 18 LYS HA H 18 4.385 4.936 -0.551 1
1 221 . 17 1 1 A 18 18 LYS C C 18 173.587 174.412 -0.825 1
1 222 . 17 1 1 A 18 18 LYS CA C 18 55.084 54.491 0.593 1
1 223 . 17 1 1 A 18 18 LYS CB C 18 36.862 35.865 0.997 1
1 227 . 17 1 1 A 18 18 LYS N N 18 125.563 128.142 -2.579 1
1 228 . 17 1 1 A 19 19 GLU H H 19 8.337 8.758 -0.421 1
1 229 . 17 1 1 A 19 19 GLU HA H 19 4.907 4.932 -0.025 1
1 234 . 17 1 1 A 19 19 GLU C C 19 175.687 174.940 0.747 1
1 235 . 17 1 1 A 19 19 GLU CA C 19 55.679 55.544 0.135 1
1 236 . 17 1 1 A 19 19 GLU CB C 19 29.158 31.327 -2.169 1
1 238 . 17 1 1 A 19 19 GLU N N 19 127.836 123.904 3.932 1
1 239 . 17 1 1 A 20 20 LEU H H 20 8.710 8.971 -0.261 1
1 240 . 17 1 1 A 20 20 LEU HA H 20 4.798 4.796 0.002 1
1 247 . 17 1 1 A 20 20 LEU C C 20 177.829 177.065 0.764 1
1 248 . 17 1 1 A 20 20 LEU CA C 20 53.519 53.110 0.409 1
1 249 . 17 1 1 A 20 20 LEU CB C 20 47.902 44.936 2.966 1
1 252 . 17 1 1 A 20 20 LEU N N 20 127.240 126.289 0.951 1
1 253 . 17 1 1 A 21 21 VAL H H 21 8.236 8.756 -0.520 1
1 254 . 17 1 1 A 21 21 VAL HA H 21 3.947 4.185 -0.238 1
1 259 . 17 1 1 A 21 21 VAL C C 21 175.301 174.676 0.625 1
1 260 . 17 1 1 A 21 21 VAL CA C 21 64.879 64.266 0.613 1
1 261 . 17 1 1 A 21 21 VAL CB C 21 32.290 33.388 -1.098 1
1 263 . 17 1 1 A 21 21 VAL N N 21 116.513 122.094 -5.581 1
1 264 . 17 1 1 A 22 22 ASP H H 22 7.071 7.943 -0.872 1
1 265 . 17 1 1 A 22 22 ASP HA H 22 4.028 5.046 -1.018 1
1 268 . 17 1 1 A 22 22 ASP C C 22 172.221 175.605 -3.384 1
1 269 . 17 1 1 A 22 22 ASP CA C 22 52.983 52.713 0.270 1
1 270 . 17 1 1 A 22 22 ASP CB C 22 42.107 44.209 -2.102 1
1 271 . 17 1 1 A 22 22 ASP N N 22 115.040 120.243 -5.203 1
1 272 . 17 1 1 A 23 23 ALA H H 23 8.332 8.864 -0.532 1
1 273 . 17 1 1 A 23 23 ALA HA H 23 4.136 3.843 0.293 1
1 277 . 17 1 1 A 23 23 ALA C C 23 179.560 179.632 -0.072 1
1 278 . 17 1 1 A 23 23 ALA CA C 23 55.215 55.065 0.150 1
1 279 . 17 1 1 A 23 23 ALA CB C 23 17.337 18.101 -0.764 1
1 280 . 17 1 1 A 23 23 ALA N N 23 121.322 123.610 -2.288 1
1 281 . 17 1 1 A 24 24 ALA H H 24 8.168 8.120 0.048 1
1 282 . 17 1 1 A 24 24 ALA HA H 24 4.000 3.995 0.005 1
1 286 . 17 1 1 A 24 24 ALA C C 24 181.170 179.426 1.744 1
1 287 . 17 1 1 A 24 24 ALA CA C 24 54.771 55.044 -0.273 1
1 288 . 17 1 1 A 24 24 ALA CB C 24 17.274 18.787 -1.513 1
1 289 . 17 1 1 A 24 24 ALA N N 24 122.440 120.037 2.403 1
1 290 . 17 1 1 A 25 25 THR H H 25 8.444 8.021 0.423 1
1 291 . 17 1 1 A 25 25 THR HA H 25 3.924 3.854 0.070 1
1 296 . 17 1 1 A 25 25 THR C C 25 176.695 176.113 0.582 1
1 297 . 17 1 1 A 25 25 THR CA C 25 66.636 66.201 0.435 1
1 298 . 17 1 1 A 25 25 THR CB C 25 68.177 68.582 -0.405 1
1 300 . 17 1 1 A 25 25 THR N N 25 117.219 113.489 3.730 1
1 301 . 17 1 1 A 26 26 ALA H H 26 7.755 8.037 -0.282 1
1 302 . 17 1 1 A 26 26 ALA HA H 26 3.427 3.637 -0.210 1
1 306 . 17 1 1 A 26 26 ALA C C 26 176.844 178.997 -2.153 1
1 307 . 17 1 1 A 26 26 ALA CA C 26 55.025 55.435 -0.410 1
1 308 . 17 1 1 A 26 26 ALA CB C 26 17.772 17.364 0.408 1
1 309 . 17 1 1 A 26 26 ALA N N 26 125.147 123.046 2.101 1
1 310 . 17 1 1 A 27 27 GLU H H 27 8.412 9.009 -0.597 1
1 311 . 17 1 1 A 27 27 GLU HA H 27 2.758 3.667 -0.909 1
1 316 . 17 1 1 A 27 27 GLU C C 27 177.417 178.858 -1.441 1
1 317 . 17 1 1 A 27 27 GLU CA C 27 59.932 59.233 0.699 1
1 318 . 17 1 1 A 27 27 GLU CB C 27 28.943 29.282 -0.339 1
1 320 . 17 1 1 A 27 27 GLU N N 27 119.203 118.263 0.940 1
1 321 . 17 1 1 A 28 28 LYS H H 28 7.013 7.636 -0.623 1
1 322 . 17 1 1 A 28 28 LYS HA H 28 3.626 3.993 -0.367 1
1 329 . 17 1 1 A 28 28 LYS C C 28 178.802 178.288 0.514 1
1 330 . 17 1 1 A 28 28 LYS CA C 28 59.572 58.752 0.820 1
1 331 . 17 1 1 A 28 28 LYS CB C 28 32.290 32.543 -0.253 1
1 335 . 17 1 1 A 28 28 LYS N N 28 116.415 119.390 -2.975 1
1 336 . 17 1 1 A 29 29 TYR H H 29 7.815 8.537 -0.722 1
1 337 . 17 1 1 A 29 29 TYR HA H 29 3.841 4.205 -0.364 1
1 344 . 17 1 1 A 29 29 TYR C C 29 178.466 177.427 1.039 1
1 345 . 17 1 1 A 29 29 TYR CA C 29 61.703 61.553 0.150 1
1 346 . 17 1 1 A 29 29 TYR CB C 29 38.193 38.737 -0.544 1
1 351 . 17 1 1 A 29 29 TYR N N 29 119.360 120.788 -1.428 1
1 352 . 17 1 1 A 30 30 PHE H H 30 8.979 9.143 -0.164 1
1 353 . 17 1 1 A 30 30 PHE HA H 30 4.451 4.396 0.055 1
1 360 . 17 1 1 A 30 30 PHE C C 30 178.342 178.096 0.246 1
1 361 . 17 1 1 A 30 30 PHE CA C 30 59.395 61.648 -2.253 1
1 362 . 17 1 1 A 30 30 PHE CB C 30 37.451 38.535 -1.084 1
1 367 . 17 1 1 A 30 30 PHE N N 30 119.088 118.506 0.582 1
1 368 . 17 1 1 A 31 31 LYS H H 31 8.464 8.086 0.378 1
1 369 . 17 1 1 A 31 31 LYS HA H 31 3.983 4.495 -0.512 1
1 376 . 17 1 1 A 31 31 LYS C C 31 179.506 179.377 0.129 1
1 377 . 17 1 1 A 31 31 LYS CA C 31 60.031 59.471 0.560 1
1 378 . 17 1 1 A 31 31 LYS CB C 31 31.236 31.751 -0.515 1
1 381 . 17 1 1 A 31 31 LYS N N 31 122.220 121.587 0.633 1
1 382 . 17 1 1 A 32 32 LEU H H 32 7.314 8.188 -0.874 1
1 383 . 17 1 1 A 32 32 LEU HA H 32 3.990 4.092 -0.102 1
1 390 . 17 1 1 A 32 32 LEU C C 32 179.565 178.953 0.612 1
1 391 . 17 1 1 A 32 32 LEU CA C 32 58.069 57.367 0.702 1
1 392 . 17 1 1 A 32 32 LEU CB C 32 41.329 41.259 0.070 1
1 395 . 17 1 1 A 32 32 LEU N N 32 120.642 119.554 1.088 1
1 396 . 17 1 1 A 33 33 TYR H H 33 8.018 8.058 -0.040 1
1 397 . 17 1 1 A 33 33 TYR HA H 33 3.999 4.143 -0.144 1
1 405 . 17 1 1 A 33 33 TYR C C 33 177.598 177.798 -0.200 1
1 406 . 17 1 1 A 33 33 TYR CA C 33 61.107 61.631 -0.524 1
1 407 . 17 1 1 A 33 33 TYR CB C 33 39.081 39.308 -0.227 1
1 412 . 17 1 1 A 33 33 TYR N N 33 122.222 119.787 2.435 1
1 413 . 17 1 1 A 34 34 ALA H H 34 8.794 8.510 0.284 1
1 414 . 17 1 1 A 34 34 ALA HA H 34 3.783 4.139 -0.356 1
1 418 . 17 1 1 A 34 34 ALA C C 34 179.307 180.561 -1.254 1
1 419 . 17 1 1 A 34 34 ALA CA C 34 54.459 55.135 -0.676 1
1 420 . 17 1 1 A 34 34 ALA CB C 34 18.376 18.213 0.163 1
1 421 . 17 1 1 A 34 34 ALA N N 34 119.675 121.642 -1.967 1
1 422 . 17 1 1 A 35 35 ASN H H 35 8.156 7.890 0.266 1
1 423 . 17 1 1 A 35 35 ASN HA H 35 4.489 4.506 -0.017 1
1 426 . 17 1 1 A 35 35 ASN C C 35 177.869 177.130 0.739 1
1 427 . 17 1 1 A 35 35 ASN CA C 35 56.410 55.745 0.665 1
1 428 . 17 1 1 A 35 35 ASN CB C 35 38.339 38.428 -0.089 1
1 429 . 17 1 1 A 35 35 ASN N N 35 117.882 117.111 0.771 1
1 430 . 17 1 1 A 36 36 ALA H H 36 7.804 7.420 0.384 1
1 431 . 17 1 1 A 36 36 ALA HA H 36 4.087 4.215 -0.128 1
1 435 . 17 1 1 A 36 36 ALA C C 36 178.579 179.415 -0.836 1
1 436 . 17 1 1 A 36 36 ALA CA C 36 53.893 54.629 -0.736 1
1 437 . 17 1 1 A 36 36 ALA CB C 36 17.782 19.195 -1.413 1
1 438 . 17 1 1 A 36 36 ALA N N 36 121.244 121.493 -0.249 1
1 439 . 17 1 1 A 37 37 LYS H H 37 7.380 8.403 -1.023 1
1 440 . 17 1 1 A 37 37 LYS HA H 37 4.164 3.850 0.314 1
1 447 . 17 1 1 A 37 37 LYS C C 37 175.831 176.620 -0.789 1
1 448 . 17 1 1 A 37 37 LYS CA C 37 56.020 59.261 -3.241 1
1 449 . 17 1 1 A 37 37 LYS CB C 37 32.876 32.133 0.743 1
1 453 . 17 1 1 A 37 37 LYS N N 37 116.585 117.086 -0.501 1
1 454 . 17 1 1 A 38 38 THR H H 38 7.891 7.629 0.262 1
1 455 . 17 1 1 A 38 38 THR HA H 38 4.144 4.718 -0.574 1
1 460 . 17 1 1 A 38 38 THR C C 38 172.820 174.226 -1.406 1
1 461 . 17 1 1 A 38 38 THR CA C 38 61.719 60.392 1.327 1
1 462 . 17 1 1 A 38 38 THR CB C 38 68.688 70.308 -1.620 1
1 464 . 17 1 1 A 38 38 THR N N 38 113.375 109.117 4.258 1
1 465 . 17 1 1 A 39 39 VAL H H 39 7.939 8.606 -0.667 1
1 466 . 17 1 1 A 39 39 VAL HA H 39 4.148 4.559 -0.411 1
1 471 . 17 1 1 A 39 39 VAL C C 39 174.525 174.885 -0.360 1
1 472 . 17 1 1 A 39 39 VAL CA C 39 62.125 60.706 1.419 1
1 473 . 17 1 1 A 39 39 VAL CB C 39 32.720 33.136 -0.416 1
1 475 . 17 1 1 A 39 39 VAL N N 39 120.564 119.787 0.777 1
1 476 . 17 1 1 A 40 40 GLU H H 40 8.586 8.542 0.044 1
1 477 . 17 1 1 A 40 40 GLU HA H 40 4.533 4.924 -0.391 1
1 482 . 17 1 1 A 40 40 GLU C C 40 175.158 175.878 -0.720 1
1 483 . 17 1 1 A 40 40 GLU CA C 40 55.211 55.290 -0.079 1
1 484 . 17 1 1 A 40 40 GLU CB C 40 31.130 30.949 0.181 1
1 486 . 17 1 1 A 40 40 GLU N N 40 126.113 124.594 1.519 1
1 487 . 17 1 1 A 41 41 GLY H H 41 8.042 8.492 -0.450 1
1 488 . 17 1 1 A 41 41 GLY HA2 H 41 4.059 4.087 -0.028 1
1 489 . 17 1 1 A 41 41 GLY HA3 H 41 3.533 4.142 -0.609 1
1 490 . 17 1 1 A 41 41 GLY C C 41 174.994 172.895 2.099 1
1 491 . 17 1 1 A 41 41 GLY CA C 41 45.300 44.708 0.592 1
1 492 . 17 1 1 A 41 41 GLY N N 41 107.727 112.769 -5.042 1
1 493 . 17 1 1 A 42 42 VAL H H 42 8.349 8.214 0.135 1
1 494 . 17 1 1 A 42 42 VAL HA H 42 4.303 4.226 0.077 1
1 499 . 17 1 1 A 42 42 VAL C C 42 176.649 175.174 1.475 1
1 500 . 17 1 1 A 42 42 VAL CA C 42 62.243 62.265 -0.022 1
1 501 . 17 1 1 A 42 42 VAL CB C 42 33.763 32.657 1.106 1
1 503 . 17 1 1 A 42 42 VAL N N 42 121.379 120.436 0.943 1
1 504 . 17 1 1 A 43 43 TRP H H 43 9.250 9.033 0.217 1
1 505 . 17 1 1 A 43 43 TRP HA H 43 5.104 5.435 -0.331 1
1 514 . 17 1 1 A 43 43 TRP C C 43 177.089 175.279 1.810 1
1 515 . 17 1 1 A 43 43 TRP CA C 43 57.991 56.095 1.896 1
1 516 . 17 1 1 A 43 43 TRP CB C 43 29.904 33.307 -3.403 1
1 521 . 17 1 1 A 43 43 TRP N N 43 130.568 127.006 3.562 1
1 523 . 17 1 1 A 44 44 THR H H 44 9.219 8.929 0.290 1
1 524 . 17 1 1 A 44 44 THR HA H 44 4.694 4.996 -0.302 1
1 529 . 17 1 1 A 44 44 THR C C 44 172.706 173.000 -0.294 1
1 530 . 17 1 1 A 44 44 THR CA C 44 60.957 61.276 -0.319 1
1 531 . 17 1 1 A 44 44 THR CB C 44 72.616 72.700 -0.084 1
1 533 . 17 1 1 A 44 44 THR N N 44 114.918 114.971 -0.053 1
1 534 . 17 1 1 A 45 45 TYR H H 45 8.553 8.919 -0.366 1
1 535 . 17 1 1 A 45 45 TYR HA H 45 5.002 5.105 -0.103 1
1 540 . 17 1 1 A 45 45 TYR C C 45 173.745 173.313 0.432 1
1 541 . 17 1 1 A 45 45 TYR CA C 45 57.249 56.153 1.096 1
1 542 . 17 1 1 A 45 45 TYR CB C 45 41.719 42.151 -0.432 1
1 545 . 17 1 1 A 45 45 TYR N N 45 121.490 125.890 -4.400 1
1 546 . 17 1 1 A 46 46 LYS H H 46 7.348 8.070 -0.722 1
1 547 . 17 1 1 A 46 46 LYS HA H 46 4.222 4.742 -0.520 1
1 554 . 17 1 1 A 46 46 LYS C C 46 175.715 174.898 0.817 1
1 555 . 17 1 1 A 46 46 LYS CA C 46 53.576 54.425 -0.849 1
1 556 . 17 1 1 A 46 46 LYS CB C 46 33.582 34.687 -1.105 1
1 560 . 17 1 1 A 46 46 LYS N N 46 129.620 127.238 2.382 1
1 561 . 17 1 1 A 47 47 ASP H H 47 8.578 8.755 -0.177 1
1 562 . 17 1 1 A 47 47 ASP HA H 47 4.126 4.663 -0.537 1
1 565 . 17 1 1 A 47 47 ASP C C 47 179.207 176.675 2.532 1
1 566 . 17 1 1 A 47 47 ASP CA C 47 57.191 53.584 3.607 1
1 567 . 17 1 1 A 47 47 ASP CB C 47 41.969 41.096 0.873 1
1 568 . 17 1 1 A 47 47 ASP N N 47 125.757 126.629 -0.872 1
1 569 . 17 1 1 A 48 48 GLU H H 48 9.445 8.076 1.369 1
1 570 . 17 1 1 A 48 48 GLU HA H 48 3.918 4.386 -0.468 1
1 575 . 17 1 1 A 48 48 GLU C C 48 177.578 176.761 0.817 1
1 576 . 17 1 1 A 48 48 GLU CA C 48 60.066 57.245 2.821 1
1 577 . 17 1 1 A 48 48 GLU CB C 48 29.343 31.278 -1.935 1
1 579 . 17 1 1 A 48 48 GLU N N 48 117.612 119.487 -1.875 1
1 580 . 17 1 1 A 49 49 THR H H 49 6.624 7.926 -1.302 1
1 581 . 17 1 1 A 49 49 THR HA H 49 4.414 4.566 -0.152 1
1 586 . 17 1 1 A 49 49 THR C C 49 175.232 174.126 1.106 1
1 587 . 17 1 1 A 49 49 THR CA C 49 59.873 61.028 -1.155 1
1 588 . 17 1 1 A 49 49 THR CB C 49 69.188 69.960 -0.772 1
1 590 . 17 1 1 A 49 49 THR N N 49 103.078 113.172 -10.094 1
1 591 . 17 1 1 A 50 50 LYS H H 50 7.828 7.858 -0.030 1
1 592 . 17 1 1 A 50 50 LYS HA H 50 4.139 3.961 0.178 1
1 597 . 17 1 1 A 50 50 LYS C C 50 174.786 175.047 -0.261 1
1 598 . 17 1 1 A 50 50 LYS CA C 50 55.981 56.906 -0.925 1
1 599 . 17 1 1 A 50 50 LYS CB C 50 29.258 30.223 -0.965 1
1 602 . 17 1 1 A 50 50 LYS N N 50 123.628 117.270 6.358 1
1 603 . 17 1 1 A 51 51 THR H H 51 7.216 7.391 -0.175 1
1 604 . 17 1 1 A 51 51 THR HA H 51 5.433 5.440 -0.007 1
1 609 . 17 1 1 A 51 51 THR C C 51 174.574 173.466 1.108 1
1 610 . 17 1 1 A 51 51 THR CA C 51 62.224 61.332 0.892 1
1 611 . 17 1 1 A 51 51 THR CB C 51 72.346 72.101 0.245 1
1 613 . 17 1 1 A 51 51 THR N N 51 110.763 113.603 -2.840 1
1 614 . 17 1 1 A 52 52 PHE H H 52 10.222 9.517 0.705 1
1 615 . 17 1 1 A 52 52 PHE HA H 52 5.447 5.337 0.110 1
1 622 . 17 1 1 A 52 52 PHE C C 52 174.401 175.347 -0.946 1
1 623 . 17 1 1 A 52 52 PHE CA C 52 57.269 57.546 -0.277 1
1 624 . 17 1 1 A 52 52 PHE CB C 52 42.143 41.430 0.713 1
1 629 . 17 1 1 A 52 52 PHE N N 52 130.993 125.386 5.607 1
1 630 . 17 1 1 A 53 53 THR H H 53 9.099 9.288 -0.189 1
1 631 . 17 1 1 A 53 53 THR HA H 53 5.108 5.057 0.051 1
1 636 . 17 1 1 A 53 53 THR C C 53 172.565 172.788 -0.223 1
1 637 . 17 1 1 A 53 53 THR CA C 53 61.737 61.400 0.337 1
1 638 . 17 1 1 A 53 53 THR CB C 53 70.663 71.163 -0.500 1
1 640 . 17 1 1 A 53 53 THR N N 53 117.968 114.927 3.041 1
1 641 . 17 1 1 A 54 54 VAL H H 54 8.496 8.740 -0.244 1
1 642 . 17 1 1 A 54 54 VAL HA H 54 4.410 5.092 -0.682 1
1 650 . 17 1 1 A 54 54 VAL C C 54 173.790 173.779 0.011 1
1 651 . 17 1 1 A 54 54 VAL CA C 54 59.103 60.015 -0.912 1
1 652 . 17 1 1 A 54 54 VAL CB C 54 32.651 35.043 -2.392 1
1 655 . 17 1 1 A 54 54 VAL N N 54 125.071 125.899 -0.828 1
1 656 . 17 1 1 A 55 55 THR H H 55 8.265 8.349 -0.084 1
1 657 . 17 1 1 A 55 55 THR HA H 55 4.792 4.960 -0.168 1
1 662 . 17 1 1 A 55 55 THR C C 55 173.789 172.072 1.717 1
1 663 . 17 1 1 A 55 55 THR CA C 55 61.035 60.582 0.453 1
1 664 . 17 1 1 A 55 55 THR CB C 55 71.261 71.395 -0.134 1
1 666 . 17 1 1 A 55 55 THR N N 55 122.202 118.775 3.427 1
1 10 . 18 1 1 A 2 2 THR H H 2 8.719 7.895 0.824 1
1 11 . 18 1 1 A 2 2 THR HA H 2 4.251 4.802 -0.551 1
1 16 . 18 1 1 A 2 2 THR C C 2 172.951 172.933 0.018 1
1 17 . 18 1 1 A 2 2 THR CA C 2 63.748 61.267 2.481 1
1 18 . 18 1 1 A 2 2 THR CB C 2 68.568 70.230 -1.662 1
1 20 . 18 1 1 A 2 2 THR N N 2 123.894 111.932 11.962 1
1 21 . 18 1 1 A 3 3 TYR H H 3 8.841 9.459 -0.618 1
1 22 . 18 1 1 A 3 3 TYR HA H 3 5.289 5.538 -0.249 1
1 29 . 18 1 1 A 3 3 TYR C C 3 173.975 174.717 -0.742 1
1 30 . 18 1 1 A 3 3 TYR CA C 3 57.850 56.592 1.258 1
1 31 . 18 1 1 A 3 3 TYR CB C 3 43.043 40.409 2.634 1
1 36 . 18 1 1 A 3 3 TYR N N 3 127.370 126.283 1.087 1
1 37 . 18 1 1 A 4 4 LYS H H 4 8.791 9.150 -0.359 1
1 38 . 18 1 1 A 4 4 LYS HA H 4 5.344 5.399 -0.055 1
1 43 . 18 1 1 A 4 4 LYS C C 4 173.055 174.552 -1.497 1
1 44 . 18 1 1 A 4 4 LYS CA C 4 54.537 55.031 -0.494 1
1 45 . 18 1 1 A 4 4 LYS CB C 4 35.881 35.419 0.462 1
1 48 . 18 1 1 A 4 4 LYS N N 4 121.038 125.326 -4.288 1
1 49 . 18 1 1 A 5 5 LEU H H 5 9.005 8.927 0.078 1
1 50 . 18 1 1 A 5 5 LEU HA H 5 4.889 5.320 -0.431 1
1 60 . 18 1 1 A 5 5 LEU C C 5 174.789 174.833 -0.044 1
1 61 . 18 1 1 A 5 5 LEU CA C 5 52.566 53.258 -0.692 1
1 62 . 18 1 1 A 5 5 LEU CB C 5 44.174 45.198 -1.024 1
1 65 . 18 1 1 A 5 5 LEU N N 5 126.547 127.589 -1.042 1
1 66 . 18 1 1 A 6 6 ILE H H 6 9.104 8.602 0.502 1
1 67 . 18 1 1 A 6 6 ILE HA H 6 4.970 4.877 0.093 1
1 71 . 18 1 1 A 6 6 ILE C C 6 174.690 174.130 0.560 1
1 72 . 18 1 1 A 6 6 ILE CA C 6 60.313 59.122 1.191 1
1 73 . 18 1 1 A 6 6 ILE CB C 6 38.652 40.821 -2.169 1
1 76 . 18 1 1 A 6 6 ILE N N 6 126.502 122.276 4.226 1
1 77 . 18 1 1 A 7 7 LEU H H 7 8.907 9.200 -0.293 1
1 78 . 18 1 1 A 7 7 LEU HA H 7 4.452 5.639 -1.187 1
1 88 . 18 1 1 A 7 7 LEU C C 7 174.573 175.980 -1.407 1
1 89 . 18 1 1 A 7 7 LEU CA C 7 54.010 53.139 0.871 1
1 90 . 18 1 1 A 7 7 LEU CB C 7 41.072 44.448 -3.376 1
1 93 . 18 1 1 A 7 7 LEU N N 7 126.037 127.868 -1.831 1
1 94 . 18 1 1 A 8 8 ASN H H 8 8.941 8.590 0.351 1
1 95 . 18 1 1 A 8 8 ASN HA H 8 4.943 5.492 -0.549 1
1 100 . 18 1 1 A 8 8 ASN C C 8 174.323 174.209 0.114 1
1 101 . 18 1 1 A 8 8 ASN CA C 8 51.785 51.731 0.054 1
1 102 . 18 1 1 A 8 8 ASN CB C 8 38.008 41.382 -3.374 1
1 103 . 18 1 1 A 8 8 ASN N N 8 125.436 121.503 3.933 1
1 105 . 18 1 1 A 9 9 LEU H H 9 7.636 8.926 -1.290 1
1 106 . 18 1 1 A 9 9 LEU HA H 9 4.548 4.861 -0.313 1
1 113 . 18 1 1 A 9 9 LEU C C 9 177.230 177.242 -0.012 1
1 114 . 18 1 1 A 9 9 LEU CA C 9 53.502 53.179 0.323 1
1 115 . 18 1 1 A 9 9 LEU CB C 9 41.569 44.165 -2.596 1
1 118 . 18 1 1 A 9 9 LEU N N 9 121.638 125.367 -3.729 1
1 119 . 18 1 1 A 10 10 LYS H H 10 9.138 8.511 0.627 1
1 120 . 18 1 1 A 10 10 LYS HA H 10 3.964 4.271 -0.307 1
1 127 . 18 1 1 A 10 10 LYS C C 10 179.119 177.611 1.508 1
1 128 . 18 1 1 A 10 10 LYS CA C 10 59.786 57.406 2.380 1
1 129 . 18 1 1 A 10 10 LYS CB C 10 31.825 32.372 -0.547 1
1 133 . 18 1 1 A 10 10 LYS N N 10 120.948 122.109 -1.161 1
1 134 . 18 1 1 A 11 11 GLN H H 11 8.432 8.120 0.312 1
1 135 . 18 1 1 A 11 11 GLN HA H 11 4.325 4.507 -0.182 1
1 140 . 18 1 1 A 11 11 GLN C C 11 175.294 176.191 -0.897 1
1 141 . 18 1 1 A 11 11 GLN CA C 11 55.903 56.046 -0.143 1
1 142 . 18 1 1 A 11 11 GLN CB C 11 29.207 30.134 -0.927 1
1 144 . 18 1 1 A 11 11 GLN N N 11 113.252 115.239 -1.987 1
1 145 . 18 1 1 A 12 12 ALA H H 12 7.079 7.479 -0.400 1
1 146 . 18 1 1 A 12 12 ALA HA H 12 4.318 4.704 -0.386 1
1 150 . 18 1 1 A 12 12 ALA C C 12 174.190 175.002 -0.812 1
1 151 . 18 1 1 A 12 12 ALA CA C 12 52.507 51.570 0.937 1
1 152 . 18 1 1 A 12 12 ALA CB C 12 21.479 22.545 -1.066 1
1 153 . 18 1 1 A 12 12 ALA N N 12 120.435 120.070 0.365 1
1 154 . 18 1 1 A 13 13 LYS H H 13 8.156 8.552 -0.396 1
1 155 . 18 1 1 A 13 13 LYS HA H 13 5.197 5.085 0.112 1
1 162 . 18 1 1 A 13 13 LYS C C 13 176.127 175.558 0.569 1
1 163 . 18 1 1 A 13 13 LYS CA C 13 55.036 54.662 0.374 1
1 164 . 18 1 1 A 13 13 LYS CB C 13 33.890 34.720 -0.830 1
1 168 . 18 1 1 A 13 13 LYS N N 13 120.644 120.360 0.284 1
1 169 . 18 1 1 A 14 14 GLU H H 14 8.545 8.676 -0.131 1
1 170 . 18 1 1 A 14 14 GLU HA H 14 4.629 5.210 -0.581 1
1 175 . 18 1 1 A 14 14 GLU C C 14 173.875 175.521 -1.646 1
1 176 . 18 1 1 A 14 14 GLU CA C 14 54.680 54.763 -0.083 1
1 177 . 18 1 1 A 14 14 GLU CB C 14 34.319 33.234 1.085 1
1 179 . 18 1 1 A 14 14 GLU N N 14 123.133 123.344 -0.211 1
1 180 . 18 1 1 A 15 15 GLU H H 15 8.532 9.095 -0.563 1
1 181 . 18 1 1 A 15 15 GLU HA H 15 5.465 5.324 0.141 1
1 186 . 18 1 1 A 15 15 GLU C C 15 175.284 174.661 0.623 1
1 188 . 18 1 1 A 15 15 GLU N N 15 120.437 118.774 1.663 1
1 189 . 18 1 1 A 16 16 ALA H H 16 9.161 8.744 0.417 1
1 190 . 18 1 1 A 16 16 ALA HA H 16 4.731 4.805 -0.074 1
1 194 . 18 1 1 A 16 16 ALA C C 16 174.936 175.422 -0.486 1
1 195 . 18 1 1 A 16 16 ALA CA C 16 51.278 51.285 -0.007 1
1 196 . 18 1 1 A 16 16 ALA CB C 16 22.037 23.770 -1.733 1
1 197 . 18 1 1 A 16 16 ALA N N 16 126.588 121.090 5.498 1
1 198 . 18 1 1 A 17 17 ILE H H 17 8.387 8.856 -0.469 1
1 199 . 18 1 1 A 17 17 ILE HA H 17 5.325 5.080 0.245 1
1 206 . 18 1 1 A 17 17 ILE C C 17 176.066 173.709 2.357 1
1 210 . 18 1 1 A 17 17 ILE N N 17 117.620 119.532 -1.912 1
1 211 . 18 1 1 A 18 18 LYS H H 18 9.152 9.754 -0.602 1
1 212 . 18 1 1 A 18 18 LYS HA H 18 4.385 4.883 -0.498 1
1 221 . 18 1 1 A 18 18 LYS C C 18 173.587 175.167 -1.580 1
1 222 . 18 1 1 A 18 18 LYS CA C 18 55.084 53.963 1.121 1
1 223 . 18 1 1 A 18 18 LYS CB C 18 36.862 35.800 1.062 1
1 227 . 18 1 1 A 18 18 LYS N N 18 125.563 128.773 -3.210 1
1 228 . 18 1 1 A 19 19 GLU H H 19 8.337 8.719 -0.382 1
1 229 . 18 1 1 A 19 19 GLU HA H 19 4.907 5.286 -0.379 1
1 234 . 18 1 1 A 19 19 GLU C C 19 175.687 174.680 1.007 1
1 235 . 18 1 1 A 19 19 GLU CA C 19 55.679 54.605 1.074 1
1 236 . 18 1 1 A 19 19 GLU CB C 19 29.158 32.865 -3.707 1
1 238 . 18 1 1 A 19 19 GLU N N 19 127.836 118.036 9.800 1
1 239 . 18 1 1 A 20 20 LEU H H 20 8.710 8.641 0.069 1
1 240 . 18 1 1 A 20 20 LEU HA H 20 4.798 4.681 0.117 1
1 247 . 18 1 1 A 20 20 LEU C C 20 177.829 176.140 1.689 1
1 248 . 18 1 1 A 20 20 LEU CA C 20 53.519 53.091 0.428 1
1 249 . 18 1 1 A 20 20 LEU CB C 20 47.902 44.281 3.621 1
1 252 . 18 1 1 A 20 20 LEU N N 20 127.240 123.490 3.750 1
1 253 . 18 1 1 A 21 21 VAL H H 21 8.236 8.942 -0.706 1
1 254 . 18 1 1 A 21 21 VAL HA H 21 3.947 4.325 -0.378 1
1 259 . 18 1 1 A 21 21 VAL C C 21 175.301 173.938 1.363 1
1 260 . 18 1 1 A 21 21 VAL CA C 21 64.879 63.441 1.438 1
1 261 . 18 1 1 A 21 21 VAL CB C 21 32.290 34.559 -2.269 1
1 263 . 18 1 1 A 21 21 VAL N N 21 116.513 120.996 -4.483 1
1 264 . 18 1 1 A 22 22 ASP H H 22 7.071 7.911 -0.840 1
1 265 . 18 1 1 A 22 22 ASP HA H 22 4.028 5.159 -1.131 1
1 268 . 18 1 1 A 22 22 ASP C C 22 172.221 176.255 -4.034 1
1 269 . 18 1 1 A 22 22 ASP CA C 22 52.983 53.060 -0.077 1
1 270 . 18 1 1 A 22 22 ASP CB C 22 42.107 43.364 -1.257 1
1 271 . 18 1 1 A 22 22 ASP N N 22 115.040 119.051 -4.011 1
1 272 . 18 1 1 A 23 23 ALA H H 23 8.332 9.096 -0.764 1
1 273 . 18 1 1 A 23 23 ALA HA H 23 4.136 3.780 0.356 1
1 277 . 18 1 1 A 23 23 ALA C C 23 179.560 179.688 -0.128 1
1 278 . 18 1 1 A 23 23 ALA CA C 23 55.215 55.268 -0.053 1
1 279 . 18 1 1 A 23 23 ALA CB C 23 17.337 18.499 -1.162 1
1 280 . 18 1 1 A 23 23 ALA N N 23 121.322 125.534 -4.212 1
1 281 . 18 1 1 A 24 24 ALA H H 24 8.168 7.969 0.199 1
1 282 . 18 1 1 A 24 24 ALA HA H 24 4.000 4.031 -0.031 1
1 286 . 18 1 1 A 24 24 ALA C C 24 181.170 179.436 1.734 1
1 287 . 18 1 1 A 24 24 ALA CA C 24 54.771 55.096 -0.325 1
1 288 . 18 1 1 A 24 24 ALA CB C 24 17.274 19.110 -1.836 1
1 289 . 18 1 1 A 24 24 ALA N N 24 122.440 120.166 2.274 1
1 290 . 18 1 1 A 25 25 THR H H 25 8.444 7.931 0.513 1
1 291 . 18 1 1 A 25 25 THR HA H 25 3.924 3.872 0.052 1
1 296 . 18 1 1 A 25 25 THR C C 25 176.695 175.954 0.741 1
1 297 . 18 1 1 A 25 25 THR CA C 25 66.636 66.357 0.279 1
1 298 . 18 1 1 A 25 25 THR CB C 25 68.177 68.514 -0.337 1
1 300 . 18 1 1 A 25 25 THR N N 25 117.219 113.391 3.828 1
1 301 . 18 1 1 A 26 26 ALA H H 26 7.755 8.097 -0.342 1
1 302 . 18 1 1 A 26 26 ALA HA H 26 3.427 3.626 -0.199 1
1 306 . 18 1 1 A 26 26 ALA C C 26 176.844 178.947 -2.103 1
1 307 . 18 1 1 A 26 26 ALA CA C 26 55.025 55.433 -0.408 1
1 308 . 18 1 1 A 26 26 ALA CB C 26 17.772 17.405 0.367 1
1 309 . 18 1 1 A 26 26 ALA N N 26 125.147 122.897 2.250 1
1 310 . 18 1 1 A 27 27 GLU H H 27 8.412 9.138 -0.726 1
1 311 . 18 1 1 A 27 27 GLU HA H 27 2.758 3.628 -0.870 1
1 316 . 18 1 1 A 27 27 GLU C C 27 177.417 178.979 -1.562 1
1 317 . 18 1 1 A 27 27 GLU CA C 27 59.932 59.200 0.732 1
1 318 . 18 1 1 A 27 27 GLU CB C 27 28.943 28.997 -0.054 1
1 320 . 18 1 1 A 27 27 GLU N N 27 119.203 118.315 0.888 1
1 321 . 18 1 1 A 28 28 LYS H H 28 7.013 7.665 -0.652 1
1 322 . 18 1 1 A 28 28 LYS HA H 28 3.626 3.998 -0.372 1
1 329 . 18 1 1 A 28 28 LYS C C 28 178.802 178.498 0.304 1
1 330 . 18 1 1 A 28 28 LYS CA C 28 59.572 59.078 0.494 1
1 331 . 18 1 1 A 28 28 LYS CB C 28 32.290 32.251 0.039 1
1 335 . 18 1 1 A 28 28 LYS N N 28 116.415 119.117 -2.702 1
1 336 . 18 1 1 A 29 29 TYR H H 29 7.815 8.202 -0.387 1
1 337 . 18 1 1 A 29 29 TYR HA H 29 3.841 4.227 -0.386 1
1 344 . 18 1 1 A 29 29 TYR C C 29 178.466 177.501 0.965 1
1 345 . 18 1 1 A 29 29 TYR CA C 29 61.703 61.568 0.135 1
1 346 . 18 1 1 A 29 29 TYR CB C 29 38.193 38.773 -0.580 1
1 351 . 18 1 1 A 29 29 TYR N N 29 119.360 121.044 -1.684 1
1 352 . 18 1 1 A 30 30 PHE H H 30 8.979 9.094 -0.115 1
1 353 . 18 1 1 A 30 30 PHE HA H 30 4.451 4.396 0.055 1
1 360 . 18 1 1 A 30 30 PHE C C 30 178.342 177.886 0.456 1
1 361 . 18 1 1 A 30 30 PHE CA C 30 59.395 61.960 -2.565 1
1 362 . 18 1 1 A 30 30 PHE CB C 30 37.451 38.414 -0.963 1
1 367 . 18 1 1 A 30 30 PHE N N 30 119.088 118.246 0.842 1
1 368 . 18 1 1 A 31 31 LYS H H 31 8.464 8.016 0.448 1
1 369 . 18 1 1 A 31 31 LYS HA H 31 3.983 4.312 -0.329 1
1 376 . 18 1 1 A 31 31 LYS C C 31 179.506 179.207 0.299 1
1 377 . 18 1 1 A 31 31 LYS CA C 31 60.031 59.870 0.161 1
1 378 . 18 1 1 A 31 31 LYS CB C 31 31.236 32.388 -1.152 1
1 381 . 18 1 1 A 31 31 LYS N N 31 122.220 120.157 2.063 1
1 382 . 18 1 1 A 32 32 LEU H H 32 7.314 7.923 -0.609 1
1 383 . 18 1 1 A 32 32 LEU HA H 32 3.990 3.971 0.019 1
1 390 . 18 1 1 A 32 32 LEU C C 32 179.565 178.951 0.614 1
1 391 . 18 1 1 A 32 32 LEU CA C 32 58.069 57.694 0.375 1
1 392 . 18 1 1 A 32 32 LEU CB C 32 41.329 41.068 0.261 1
1 395 . 18 1 1 A 32 32 LEU N N 32 120.642 119.656 0.986 1
1 396 . 18 1 1 A 33 33 TYR H H 33 8.018 8.173 -0.155 1
1 397 . 18 1 1 A 33 33 TYR HA H 33 3.999 4.104 -0.105 1
1 405 . 18 1 1 A 33 33 TYR C C 33 177.598 177.914 -0.316 1
1 406 . 18 1 1 A 33 33 TYR CA C 33 61.107 61.587 -0.480 1
1 407 . 18 1 1 A 33 33 TYR CB C 33 39.081 38.814 0.267 1
1 412 . 18 1 1 A 33 33 TYR N N 33 122.222 119.328 2.894 1
1 413 . 18 1 1 A 34 34 ALA H H 34 8.794 8.704 0.090 1
1 414 . 18 1 1 A 34 34 ALA HA H 34 3.783 4.238 -0.455 1
1 418 . 18 1 1 A 34 34 ALA C C 34 179.307 180.537 -1.230 1
1 419 . 18 1 1 A 34 34 ALA CA C 34 54.459 55.013 -0.554 1
1 420 . 18 1 1 A 34 34 ALA CB C 34 18.376 18.147 0.229 1
1 421 . 18 1 1 A 34 34 ALA N N 34 119.675 121.895 -2.220 1
1 422 . 18 1 1 A 35 35 ASN H H 35 8.156 8.683 -0.527 1
1 423 . 18 1 1 A 35 35 ASN HA H 35 4.489 4.503 -0.014 1
1 426 . 18 1 1 A 35 35 ASN C C 35 177.869 176.836 1.033 1
1 427 . 18 1 1 A 35 35 ASN CA C 35 56.410 55.791 0.619 1
1 428 . 18 1 1 A 35 35 ASN CB C 35 38.339 38.348 -0.009 1
1 429 . 18 1 1 A 35 35 ASN N N 35 117.882 117.260 0.622 1
1 430 . 18 1 1 A 36 36 ALA H H 36 7.804 7.394 0.410 1
1 431 . 18 1 1 A 36 36 ALA HA H 36 4.087 4.295 -0.208 1
1 435 . 18 1 1 A 36 36 ALA C C 36 178.579 179.221 -0.642 1
1 436 . 18 1 1 A 36 36 ALA CA C 36 53.893 54.474 -0.581 1
1 437 . 18 1 1 A 36 36 ALA CB C 36 17.782 19.461 -1.679 1
1 438 . 18 1 1 A 36 36 ALA N N 36 121.244 121.345 -0.101 1
1 439 . 18 1 1 A 37 37 LYS H H 37 7.380 8.223 -0.843 1
1 440 . 18 1 1 A 37 37 LYS HA H 37 4.164 3.809 0.355 1
1 447 . 18 1 1 A 37 37 LYS C C 37 175.831 176.725 -0.894 1
1 448 . 18 1 1 A 37 37 LYS CA C 37 56.020 59.171 -3.151 1
1 449 . 18 1 1 A 37 37 LYS CB C 37 32.876 31.930 0.946 1
1 453 . 18 1 1 A 37 37 LYS N N 37 116.585 117.129 -0.544 1
1 454 . 18 1 1 A 38 38 THR H H 38 7.891 7.651 0.240 1
1 455 . 18 1 1 A 38 38 THR HA H 38 4.144 4.738 -0.594 1
1 460 . 18 1 1 A 38 38 THR C C 38 172.820 173.808 -0.988 1
1 461 . 18 1 1 A 38 38 THR CA C 38 61.719 60.306 1.413 1
1 462 . 18 1 1 A 38 38 THR CB C 38 68.688 70.224 -1.536 1
1 464 . 18 1 1 A 38 38 THR N N 38 113.375 109.295 4.080 1
1 465 . 18 1 1 A 39 39 VAL H H 39 7.939 8.490 -0.551 1
1 466 . 18 1 1 A 39 39 VAL HA H 39 4.148 4.719 -0.571 1
1 471 . 18 1 1 A 39 39 VAL C C 39 174.525 174.956 -0.431 1
1 472 . 18 1 1 A 39 39 VAL CA C 39 62.125 60.496 1.629 1
1 473 . 18 1 1 A 39 39 VAL CB C 39 32.720 33.840 -1.120 1
1 475 . 18 1 1 A 39 39 VAL N N 39 120.564 119.639 0.925 1
1 476 . 18 1 1 A 40 40 GLU H H 40 8.586 8.595 -0.009 1
1 477 . 18 1 1 A 40 40 GLU HA H 40 4.533 4.918 -0.385 1
1 482 . 18 1 1 A 40 40 GLU C C 40 175.158 176.123 -0.965 1
1 483 . 18 1 1 A 40 40 GLU CA C 40 55.211 55.296 -0.085 1
1 484 . 18 1 1 A 40 40 GLU CB C 40 31.130 30.849 0.281 1
1 486 . 18 1 1 A 40 40 GLU N N 40 126.113 124.537 1.576 1
1 487 . 18 1 1 A 41 41 GLY H H 41 8.042 8.381 -0.339 1
1 488 . 18 1 1 A 41 41 GLY HA2 H 41 4.059 4.107 -0.048 1
1 489 . 18 1 1 A 41 41 GLY HA3 H 41 3.533 4.164 -0.631 1
1 490 . 18 1 1 A 41 41 GLY C C 41 174.994 173.284 1.710 1
1 491 . 18 1 1 A 41 41 GLY CA C 41 45.300 44.463 0.837 1
1 492 . 18 1 1 A 41 41 GLY N N 41 107.727 112.524 -4.797 1
1 493 . 18 1 1 A 42 42 VAL H H 42 8.349 8.418 -0.069 1
1 494 . 18 1 1 A 42 42 VAL HA H 42 4.303 4.250 0.053 1
1 499 . 18 1 1 A 42 42 VAL C C 42 176.649 175.942 0.707 1
1 500 . 18 1 1 A 42 42 VAL CA C 42 62.243 62.012 0.231 1
1 501 . 18 1 1 A 42 42 VAL CB C 42 33.763 31.689 2.074 1
1 503 . 18 1 1 A 42 42 VAL N N 42 121.379 119.078 2.301 1
1 504 . 18 1 1 A 43 43 TRP H H 43 9.250 9.212 0.038 1
1 505 . 18 1 1 A 43 43 TRP HA H 43 5.104 5.221 -0.117 1
1 514 . 18 1 1 A 43 43 TRP C C 43 177.089 176.296 0.793 1
1 515 . 18 1 1 A 43 43 TRP CA C 43 57.991 56.878 1.113 1
1 516 . 18 1 1 A 43 43 TRP CB C 43 29.904 31.401 -1.497 1
1 521 . 18 1 1 A 43 43 TRP N N 43 130.568 128.296 2.272 1
1 523 . 18 1 1 A 44 44 THR H H 44 9.219 9.312 -0.093 1
1 524 . 18 1 1 A 44 44 THR HA H 44 4.694 4.936 -0.242 1
1 529 . 18 1 1 A 44 44 THR C C 44 172.706 172.398 0.308 1
1 530 . 18 1 1 A 44 44 THR CA C 44 60.957 61.642 -0.685 1
1 531 . 18 1 1 A 44 44 THR CB C 44 72.616 71.476 1.140 1
1 533 . 18 1 1 A 44 44 THR N N 44 114.918 116.728 -1.810 1
1 534 . 18 1 1 A 45 45 TYR H H 45 8.553 9.204 -0.651 1
1 535 . 18 1 1 A 45 45 TYR HA H 45 5.002 5.043 -0.041 1
1 540 . 18 1 1 A 45 45 TYR C C 45 173.745 174.184 -0.439 1
1 541 . 18 1 1 A 45 45 TYR CA C 45 57.249 57.524 -0.275 1
1 542 . 18 1 1 A 45 45 TYR CB C 45 41.719 40.744 0.975 1
1 545 . 18 1 1 A 45 45 TYR N N 45 121.490 128.962 -7.472 1
1 546 . 18 1 1 A 46 46 LYS H H 46 7.348 8.262 -0.914 1
1 547 . 18 1 1 A 46 46 LYS HA H 46 4.222 4.692 -0.470 1
1 554 . 18 1 1 A 46 46 LYS C C 46 175.715 175.456 0.259 1
1 555 . 18 1 1 A 46 46 LYS CA C 46 53.576 54.551 -0.975 1
1 556 . 18 1 1 A 46 46 LYS CB C 46 33.582 34.956 -1.374 1
1 560 . 18 1 1 A 46 46 LYS N N 46 129.620 126.381 3.239 1
1 561 . 18 1 1 A 47 47 ASP H H 47 8.578 8.833 -0.255 1
1 562 . 18 1 1 A 47 47 ASP HA H 47 4.126 4.921 -0.795 1
1 565 . 18 1 1 A 47 47 ASP C C 47 179.207 176.630 2.577 1
1 566 . 18 1 1 A 47 47 ASP CA C 47 57.191 53.472 3.719 1
1 567 . 18 1 1 A 47 47 ASP CB C 47 41.969 40.923 1.046 1
1 568 . 18 1 1 A 47 47 ASP N N 47 125.757 125.763 -0.006 1
1 569 . 18 1 1 A 48 48 GLU H H 48 9.445 7.993 1.452 1
1 570 . 18 1 1 A 48 48 GLU HA H 48 3.918 4.276 -0.358 1
1 575 . 18 1 1 A 48 48 GLU C C 48 177.578 177.112 0.466 1
1 576 . 18 1 1 A 48 48 GLU CA C 48 60.066 57.696 2.370 1
1 577 . 18 1 1 A 48 48 GLU CB C 48 29.343 30.563 -1.220 1
1 579 . 18 1 1 A 48 48 GLU N N 48 117.612 119.731 -2.119 1
1 580 . 18 1 1 A 49 49 THR H H 49 6.624 7.530 -0.906 1
1 581 . 18 1 1 A 49 49 THR HA H 49 4.414 4.498 -0.084 1
1 586 . 18 1 1 A 49 49 THR C C 49 175.232 173.765 1.467 1
1 587 . 18 1 1 A 49 49 THR CA C 49 59.873 60.661 -0.788 1
1 588 . 18 1 1 A 49 49 THR CB C 49 69.188 69.803 -0.615 1
1 590 . 18 1 1 A 49 49 THR N N 49 103.078 110.013 -6.935 1
1 591 . 18 1 1 A 50 50 LYS H H 50 7.828 7.822 0.006 1
1 592 . 18 1 1 A 50 50 LYS HA H 50 4.139 4.149 -0.010 1
1 597 . 18 1 1 A 50 50 LYS C C 50 174.786 174.937 -0.151 1
1 598 . 18 1 1 A 50 50 LYS CA C 50 55.981 56.666 -0.685 1
1 599 . 18 1 1 A 50 50 LYS CB C 50 29.258 30.454 -1.196 1
1 602 . 18 1 1 A 50 50 LYS N N 50 123.628 117.742 5.886 1
1 603 . 18 1 1 A 51 51 THR H H 51 7.216 7.240 -0.024 1
1 604 . 18 1 1 A 51 51 THR HA H 51 5.433 5.250 0.183 1
1 609 . 18 1 1 A 51 51 THR C C 51 174.574 172.959 1.615 1
1 610 . 18 1 1 A 51 51 THR CA C 51 62.224 61.197 1.027 1
1 611 . 18 1 1 A 51 51 THR CB C 51 72.346 71.874 0.472 1
1 613 . 18 1 1 A 51 51 THR N N 51 110.763 113.523 -2.760 1
1 614 . 18 1 1 A 52 52 PHE H H 52 10.222 9.693 0.529 1
1 615 . 18 1 1 A 52 52 PHE HA H 52 5.447 5.431 0.016 1
1 622 . 18 1 1 A 52 52 PHE C C 52 174.401 175.035 -0.634 1
1 623 . 18 1 1 A 52 52 PHE CA C 52 57.269 56.529 0.740 1
1 624 . 18 1 1 A 52 52 PHE CB C 52 42.143 41.738 0.405 1
1 629 . 18 1 1 A 52 52 PHE N N 52 130.993 125.484 5.509 1
1 630 . 18 1 1 A 53 53 THR H H 53 9.099 9.094 0.005 1
1 631 . 18 1 1 A 53 53 THR HA H 53 5.108 5.052 0.056 1
1 636 . 18 1 1 A 53 53 THR C C 53 172.565 172.652 -0.087 1
1 637 . 18 1 1 A 53 53 THR CA C 53 61.737 61.462 0.275 1
1 638 . 18 1 1 A 53 53 THR CB C 53 70.663 71.061 -0.398 1
1 640 . 18 1 1 A 53 53 THR N N 53 117.968 116.650 1.318 1
1 641 . 18 1 1 A 54 54 VAL H H 54 8.496 8.455 0.041 1
1 642 . 18 1 1 A 54 54 VAL HA H 54 4.410 5.021 -0.611 1
1 650 . 18 1 1 A 54 54 VAL C C 54 173.790 173.224 0.566 1
1 651 . 18 1 1 A 54 54 VAL CA C 54 59.103 59.844 -0.741 1
1 652 . 18 1 1 A 54 54 VAL CB C 54 32.651 34.535 -1.884 1
1 655 . 18 1 1 A 54 54 VAL N N 54 125.071 126.188 -1.117 1
1 656 . 18 1 1 A 55 55 THR H H 55 8.265 8.492 -0.227 1
1 657 . 18 1 1 A 55 55 THR HA H 55 4.792 5.014 -0.222 1
1 662 . 18 1 1 A 55 55 THR C C 55 173.789 172.404 1.385 1
1 663 . 18 1 1 A 55 55 THR CA C 55 61.035 59.825 1.210 1
1 664 . 18 1 1 A 55 55 THR CB C 55 71.261 71.594 -0.333 1
1 666 . 18 1 1 A 55 55 THR N N 55 122.202 121.393 0.809 1
1 10 . 19 1 1 A 2 2 THR H H 2 8.719 8.888 -0.169 1
1 11 . 19 1 1 A 2 2 THR HA H 2 4.251 5.008 -0.757 1
1 16 . 19 1 1 A 2 2 THR C C 2 172.951 172.207 0.744 1
1 17 . 19 1 1 A 2 2 THR CA C 2 63.748 59.547 4.201 1
1 18 . 19 1 1 A 2 2 THR CB C 2 68.568 71.132 -2.564 1
1 20 . 19 1 1 A 2 2 THR N N 2 123.894 117.745 6.149 1
1 21 . 19 1 1 A 3 3 TYR H H 3 8.841 9.450 -0.609 1
1 22 . 19 1 1 A 3 3 TYR HA H 3 5.289 5.443 -0.154 1
1 29 . 19 1 1 A 3 3 TYR C C 3 173.975 174.696 -0.721 1
1 30 . 19 1 1 A 3 3 TYR CA C 3 57.850 56.523 1.327 1
1 31 . 19 1 1 A 3 3 TYR CB C 3 43.043 40.474 2.569 1
1 36 . 19 1 1 A 3 3 TYR N N 3 127.370 128.178 -0.808 1
1 37 . 19 1 1 A 4 4 LYS H H 4 8.791 9.226 -0.435 1
1 38 . 19 1 1 A 4 4 LYS HA H 4 5.344 5.359 -0.015 1
1 43 . 19 1 1 A 4 4 LYS C C 4 173.055 174.468 -1.413 1
1 44 . 19 1 1 A 4 4 LYS CA C 4 54.537 55.034 -0.497 1
1 45 . 19 1 1 A 4 4 LYS CB C 4 35.881 35.453 0.428 1
1 48 . 19 1 1 A 4 4 LYS N N 4 121.038 125.331 -4.293 1
1 49 . 19 1 1 A 5 5 LEU H H 5 9.005 9.003 0.002 1
1 50 . 19 1 1 A 5 5 LEU HA H 5 4.889 4.998 -0.109 1
1 60 . 19 1 1 A 5 5 LEU C C 5 174.789 174.894 -0.105 1
1 61 . 19 1 1 A 5 5 LEU CA C 5 52.566 53.513 -0.947 1
1 62 . 19 1 1 A 5 5 LEU CB C 5 44.174 45.013 -0.839 1
1 65 . 19 1 1 A 5 5 LEU N N 5 126.547 126.843 -0.296 1
1 66 . 19 1 1 A 6 6 ILE H H 6 9.104 8.657 0.447 1
1 67 . 19 1 1 A 6 6 ILE HA H 6 4.970 4.995 -0.025 1
1 71 . 19 1 1 A 6 6 ILE C C 6 174.690 174.432 0.258 1
1 72 . 19 1 1 A 6 6 ILE CA C 6 60.313 59.664 0.649 1
1 73 . 19 1 1 A 6 6 ILE CB C 6 38.652 40.441 -1.789 1
1 76 . 19 1 1 A 6 6 ILE N N 6 126.502 122.738 3.764 1
1 77 . 19 1 1 A 7 7 LEU H H 7 8.907 9.326 -0.419 1
1 78 . 19 1 1 A 7 7 LEU HA H 7 4.452 5.678 -1.226 1
1 88 . 19 1 1 A 7 7 LEU C C 7 174.573 175.745 -1.172 1
1 89 . 19 1 1 A 7 7 LEU CA C 7 54.010 53.127 0.883 1
1 90 . 19 1 1 A 7 7 LEU CB C 7 41.072 44.309 -3.237 1
1 93 . 19 1 1 A 7 7 LEU N N 7 126.037 128.691 -2.654 1
1 94 . 19 1 1 A 8 8 ASN H H 8 8.941 8.678 0.263 1
1 95 . 19 1 1 A 8 8 ASN HA H 8 4.943 5.410 -0.467 1
1 100 . 19 1 1 A 8 8 ASN C C 8 174.323 174.485 -0.162 1
1 101 . 19 1 1 A 8 8 ASN CA C 8 51.785 51.963 -0.178 1
1 102 . 19 1 1 A 8 8 ASN CB C 8 38.008 40.660 -2.652 1
1 103 . 19 1 1 A 8 8 ASN N N 8 125.436 122.068 3.368 1
1 105 . 19 1 1 A 9 9 LEU H H 9 7.636 8.606 -0.970 1
1 106 . 19 1 1 A 9 9 LEU HA H 9 4.548 4.834 -0.286 1
1 113 . 19 1 1 A 9 9 LEU C C 9 177.230 177.100 0.130 1
1 114 . 19 1 1 A 9 9 LEU CA C 9 53.502 53.340 0.162 1
1 115 . 19 1 1 A 9 9 LEU CB C 9 41.569 42.856 -1.287 1
1 118 . 19 1 1 A 9 9 LEU N N 9 121.638 124.864 -3.226 1
1 119 . 19 1 1 A 10 10 LYS H H 10 9.138 8.643 0.495 1
1 120 . 19 1 1 A 10 10 LYS HA H 10 3.964 4.407 -0.443 1
1 127 . 19 1 1 A 10 10 LYS C C 10 179.119 176.736 2.383 1
1 128 . 19 1 1 A 10 10 LYS CA C 10 59.786 56.318 3.468 1
1 129 . 19 1 1 A 10 10 LYS CB C 10 31.825 31.352 0.473 1
1 133 . 19 1 1 A 10 10 LYS N N 10 120.948 120.557 0.391 1
1 134 . 19 1 1 A 11 11 GLN H H 11 8.432 7.984 0.448 1
1 135 . 19 1 1 A 11 11 GLN HA H 11 4.325 4.515 -0.190 1
1 140 . 19 1 1 A 11 11 GLN C C 11 175.294 175.456 -0.162 1
1 141 . 19 1 1 A 11 11 GLN CA C 11 55.903 56.123 -0.220 1
1 142 . 19 1 1 A 11 11 GLN CB C 11 29.207 30.761 -1.554 1
1 144 . 19 1 1 A 11 11 GLN N N 11 113.252 117.444 -4.192 1
1 145 . 19 1 1 A 12 12 ALA H H 12 7.079 7.623 -0.544 1
1 146 . 19 1 1 A 12 12 ALA HA H 12 4.318 4.759 -0.441 1
1 150 . 19 1 1 A 12 12 ALA C C 12 174.190 175.251 -1.061 1
1 151 . 19 1 1 A 12 12 ALA CA C 12 52.507 51.365 1.142 1
1 152 . 19 1 1 A 12 12 ALA CB C 12 21.479 22.856 -1.377 1
1 153 . 19 1 1 A 12 12 ALA N N 12 120.435 120.219 0.216 1
1 154 . 19 1 1 A 13 13 LYS H H 13 8.156 8.481 -0.325 1
1 155 . 19 1 1 A 13 13 LYS HA H 13 5.197 4.911 0.286 1
1 162 . 19 1 1 A 13 13 LYS C C 13 176.127 174.528 1.599 1
1 163 . 19 1 1 A 13 13 LYS CA C 13 55.036 55.072 -0.036 1
1 164 . 19 1 1 A 13 13 LYS CB C 13 33.890 33.864 0.026 1
1 168 . 19 1 1 A 13 13 LYS N N 13 120.644 119.273 1.371 1
1 169 . 19 1 1 A 14 14 GLU H H 14 8.545 8.873 -0.328 1
1 170 . 19 1 1 A 14 14 GLU HA H 14 4.629 5.186 -0.557 1
1 175 . 19 1 1 A 14 14 GLU C C 14 173.875 175.103 -1.228 1
1 176 . 19 1 1 A 14 14 GLU CA C 14 54.680 54.613 0.067 1
1 177 . 19 1 1 A 14 14 GLU CB C 14 34.319 33.268 1.051 1
1 179 . 19 1 1 A 14 14 GLU N N 14 123.133 125.278 -2.145 1
1 180 . 19 1 1 A 15 15 GLU H H 15 8.532 8.961 -0.429 1
1 181 . 19 1 1 A 15 15 GLU HA H 15 5.465 5.260 0.205 1
1 186 . 19 1 1 A 15 15 GLU C C 15 175.284 175.300 -0.016 1
1 188 . 19 1 1 A 15 15 GLU N N 15 120.437 126.139 -5.702 1
1 189 . 19 1 1 A 16 16 ALA H H 16 9.161 8.722 0.439 1
1 190 . 19 1 1 A 16 16 ALA HA H 16 4.731 4.890 -0.159 1
1 194 . 19 1 1 A 16 16 ALA C C 16 174.936 175.237 -0.301 1
1 195 . 19 1 1 A 16 16 ALA CA C 16 51.278 51.334 -0.056 1
1 196 . 19 1 1 A 16 16 ALA CB C 16 22.037 23.886 -1.849 1
1 197 . 19 1 1 A 16 16 ALA N N 16 126.588 122.420 4.168 1
1 198 . 19 1 1 A 17 17 ILE H H 17 8.387 8.811 -0.424 1
1 199 . 19 1 1 A 17 17 ILE HA H 17 5.325 5.084 0.241 1
1 206 . 19 1 1 A 17 17 ILE C C 17 176.066 173.727 2.339 1
1 210 . 19 1 1 A 17 17 ILE N N 17 117.620 119.558 -1.938 1
1 211 . 19 1 1 A 18 18 LYS H H 18 9.152 9.680 -0.528 1
1 212 . 19 1 1 A 18 18 LYS HA H 18 4.385 4.919 -0.534 1
1 221 . 19 1 1 A 18 18 LYS C C 18 173.587 175.500 -1.913 1
1 222 . 19 1 1 A 18 18 LYS CA C 18 55.084 54.575 0.509 1
1 223 . 19 1 1 A 18 18 LYS CB C 18 36.862 35.928 0.934 1
1 227 . 19 1 1 A 18 18 LYS N N 18 125.563 127.976 -2.413 1
1 228 . 19 1 1 A 19 19 GLU H H 19 8.337 8.505 -0.168 1
1 229 . 19 1 1 A 19 19 GLU HA H 19 4.907 4.900 0.007 1
1 234 . 19 1 1 A 19 19 GLU C C 19 175.687 175.714 -0.027 1
1 235 . 19 1 1 A 19 19 GLU CA C 19 55.679 56.359 -0.680 1
1 236 . 19 1 1 A 19 19 GLU CB C 19 29.158 30.679 -1.521 1
1 238 . 19 1 1 A 19 19 GLU N N 19 127.836 122.753 5.083 1
1 239 . 19 1 1 A 20 20 LEU H H 20 8.710 8.638 0.072 1
1 240 . 19 1 1 A 20 20 LEU HA H 20 4.798 4.681 0.117 1
1 247 . 19 1 1 A 20 20 LEU C C 20 177.829 175.776 2.053 1
1 248 . 19 1 1 A 20 20 LEU CA C 20 53.519 53.114 0.405 1
1 249 . 19 1 1 A 20 20 LEU CB C 20 47.902 44.553 3.349 1
1 252 . 19 1 1 A 20 20 LEU N N 20 127.240 121.565 5.675 1
1 253 . 19 1 1 A 21 21 VAL H H 21 8.236 8.550 -0.314 1
1 254 . 19 1 1 A 21 21 VAL HA H 21 3.947 4.386 -0.439 1
1 259 . 19 1 1 A 21 21 VAL C C 21 175.301 175.491 -0.190 1
1 260 . 19 1 1 A 21 21 VAL CA C 21 64.879 62.246 2.633 1
1 261 . 19 1 1 A 21 21 VAL CB C 21 32.290 33.265 -0.975 1
1 263 . 19 1 1 A 21 21 VAL N N 21 116.513 119.589 -3.076 1
1 264 . 19 1 1 A 22 22 ASP H H 22 7.071 7.945 -0.874 1
1 265 . 19 1 1 A 22 22 ASP HA H 22 4.028 5.086 -1.058 1
1 268 . 19 1 1 A 22 22 ASP C C 22 172.221 175.507 -3.286 1
1 269 . 19 1 1 A 22 22 ASP CA C 22 52.983 52.878 0.105 1
1 270 . 19 1 1 A 22 22 ASP CB C 22 42.107 43.965 -1.858 1
1 271 . 19 1 1 A 22 22 ASP N N 22 115.040 120.059 -5.019 1
1 272 . 19 1 1 A 23 23 ALA H H 23 8.332 8.864 -0.532 1
1 273 . 19 1 1 A 23 23 ALA HA H 23 4.136 3.905 0.231 1
1 277 . 19 1 1 A 23 23 ALA C C 23 179.560 179.444 0.116 1
1 278 . 19 1 1 A 23 23 ALA CA C 23 55.215 54.979 0.236 1
1 279 . 19 1 1 A 23 23 ALA CB C 23 17.337 18.572 -1.235 1
1 280 . 19 1 1 A 23 23 ALA N N 23 121.322 122.727 -1.405 1
1 281 . 19 1 1 A 24 24 ALA H H 24 8.168 8.096 0.072 1
1 282 . 19 1 1 A 24 24 ALA HA H 24 4.000 3.990 0.010 1
1 286 . 19 1 1 A 24 24 ALA C C 24 181.170 179.594 1.576 1
1 287 . 19 1 1 A 24 24 ALA CA C 24 54.771 55.143 -0.372 1
1 288 . 19 1 1 A 24 24 ALA CB C 24 17.274 18.897 -1.623 1
1 289 . 19 1 1 A 24 24 ALA N N 24 122.440 120.251 2.189 1
1 290 . 19 1 1 A 25 25 THR H H 25 8.444 8.035 0.409 1
1 291 . 19 1 1 A 25 25 THR HA H 25 3.924 3.848 0.076 1
1 296 . 19 1 1 A 25 25 THR C C 25 176.695 176.133 0.562 1
1 297 . 19 1 1 A 25 25 THR CA C 25 66.636 66.419 0.217 1
1 298 . 19 1 1 A 25 25 THR CB C 25 68.177 68.501 -0.324 1
1 300 . 19 1 1 A 25 25 THR N N 25 117.219 113.506 3.713 1
1 301 . 19 1 1 A 26 26 ALA H H 26 7.755 7.883 -0.128 1
1 302 . 19 1 1 A 26 26 ALA HA H 26 3.427 3.625 -0.198 1
1 306 . 19 1 1 A 26 26 ALA C C 26 176.844 180.243 -3.399 1
1 307 . 19 1 1 A 26 26 ALA CA C 26 55.025 55.352 -0.327 1
1 308 . 19 1 1 A 26 26 ALA CB C 26 17.772 17.468 0.304 1
1 309 . 19 1 1 A 26 26 ALA N N 26 125.147 123.092 2.055 1
1 310 . 19 1 1 A 27 27 GLU H H 27 8.412 8.919 -0.507 1
1 311 . 19 1 1 A 27 27 GLU HA H 27 2.758 3.732 -0.974 1
1 316 . 19 1 1 A 27 27 GLU C C 27 177.417 178.950 -1.533 1
1 317 . 19 1 1 A 27 27 GLU CA C 27 59.932 59.355 0.577 1
1 318 . 19 1 1 A 27 27 GLU CB C 27 28.943 29.197 -0.254 1
1 320 . 19 1 1 A 27 27 GLU N N 27 119.203 117.880 1.323 1
1 321 . 19 1 1 A 28 28 LYS H H 28 7.013 7.739 -0.726 1
1 322 . 19 1 1 A 28 28 LYS HA H 28 3.626 4.007 -0.381 1
1 329 . 19 1 1 A 28 28 LYS C C 28 178.802 178.759 0.043 1
1 330 . 19 1 1 A 28 28 LYS CA C 28 59.572 58.725 0.847 1
1 331 . 19 1 1 A 28 28 LYS CB C 28 32.290 32.282 0.008 1
1 335 . 19 1 1 A 28 28 LYS N N 28 116.415 120.166 -3.751 1
1 336 . 19 1 1 A 29 29 TYR H H 29 7.815 8.419 -0.604 1
1 337 . 19 1 1 A 29 29 TYR HA H 29 3.841 4.230 -0.389 1
1 344 . 19 1 1 A 29 29 TYR C C 29 178.466 177.519 0.947 1
1 345 . 19 1 1 A 29 29 TYR CA C 29 61.703 61.584 0.119 1
1 346 . 19 1 1 A 29 29 TYR CB C 29 38.193 39.036 -0.843 1
1 351 . 19 1 1 A 29 29 TYR N N 29 119.360 120.719 -1.359 1
1 352 . 19 1 1 A 30 30 PHE H H 30 8.979 9.107 -0.128 1
1 353 . 19 1 1 A 30 30 PHE HA H 30 4.451 4.317 0.134 1
1 360 . 19 1 1 A 30 30 PHE C C 30 178.342 178.014 0.328 1
1 361 . 19 1 1 A 30 30 PHE CA C 30 59.395 62.127 -2.732 1
1 362 . 19 1 1 A 30 30 PHE CB C 30 37.451 38.542 -1.091 1
1 367 . 19 1 1 A 30 30 PHE N N 30 119.088 118.364 0.724 1
1 368 . 19 1 1 A 31 31 LYS H H 31 8.464 7.980 0.484 1
1 369 . 19 1 1 A 31 31 LYS HA H 31 3.983 4.386 -0.403 1
1 376 . 19 1 1 A 31 31 LYS C C 31 179.506 179.450 0.056 1
1 377 . 19 1 1 A 31 31 LYS CA C 31 60.031 59.822 0.209 1
1 378 . 19 1 1 A 31 31 LYS CB C 31 31.236 32.200 -0.964 1
1 381 . 19 1 1 A 31 31 LYS N N 31 122.220 120.972 1.248 1
1 382 . 19 1 1 A 32 32 LEU H H 32 7.314 7.933 -0.619 1
1 383 . 19 1 1 A 32 32 LEU HA H 32 3.990 3.978 0.012 1
1 390 . 19 1 1 A 32 32 LEU C C 32 179.565 179.009 0.556 1
1 391 . 19 1 1 A 32 32 LEU CA C 32 58.069 57.710 0.359 1
1 392 . 19 1 1 A 32 32 LEU CB C 32 41.329 41.136 0.193 1
1 395 . 19 1 1 A 32 32 LEU N N 32 120.642 119.214 1.428 1
1 396 . 19 1 1 A 33 33 TYR H H 33 8.018 8.201 -0.183 1
1 397 . 19 1 1 A 33 33 TYR HA H 33 3.999 4.115 -0.116 1
1 405 . 19 1 1 A 33 33 TYR C C 33 177.598 177.779 -0.181 1
1 406 . 19 1 1 A 33 33 TYR CA C 33 61.107 61.538 -0.431 1
1 407 . 19 1 1 A 33 33 TYR CB C 33 39.081 39.161 -0.080 1
1 412 . 19 1 1 A 33 33 TYR N N 33 122.222 120.566 1.656 1
1 413 . 19 1 1 A 34 34 ALA H H 34 8.794 8.542 0.252 1
1 414 . 19 1 1 A 34 34 ALA HA H 34 3.783 4.185 -0.402 1
1 418 . 19 1 1 A 34 34 ALA C C 34 179.307 179.429 -0.122 1
1 419 . 19 1 1 A 34 34 ALA CA C 34 54.459 54.956 -0.497 1
1 420 . 19 1 1 A 34 34 ALA CB C 34 18.376 18.336 0.040 1
1 421 . 19 1 1 A 34 34 ALA N N 34 119.675 121.571 -1.896 1
1 422 . 19 1 1 A 35 35 ASN H H 35 8.156 7.659 0.497 1
1 423 . 19 1 1 A 35 35 ASN HA H 35 4.489 4.548 -0.059 1
1 426 . 19 1 1 A 35 35 ASN C C 35 177.869 176.782 1.087 1
1 427 . 19 1 1 A 35 35 ASN CA C 35 56.410 55.605 0.805 1
1 428 . 19 1 1 A 35 35 ASN CB C 35 38.339 38.953 -0.614 1
1 429 . 19 1 1 A 35 35 ASN N N 35 117.882 116.665 1.217 1
1 430 . 19 1 1 A 36 36 ALA H H 36 7.804 7.635 0.169 1
1 431 . 19 1 1 A 36 36 ALA HA H 36 4.087 4.174 -0.087 1
1 435 . 19 1 1 A 36 36 ALA C C 36 178.579 179.182 -0.603 1
1 436 . 19 1 1 A 36 36 ALA CA C 36 53.893 53.438 0.455 1
1 437 . 19 1 1 A 36 36 ALA CB C 36 17.782 18.930 -1.148 1
1 438 . 19 1 1 A 36 36 ALA N N 36 121.244 121.433 -0.189 1
1 439 . 19 1 1 A 37 37 LYS H H 37 7.380 8.551 -1.171 1
1 440 . 19 1 1 A 37 37 LYS HA H 37 4.164 3.894 0.270 1
1 447 . 19 1 1 A 37 37 LYS C C 37 175.831 177.336 -1.505 1
1 448 . 19 1 1 A 37 37 LYS CA C 37 56.020 58.192 -2.172 1
1 449 . 19 1 1 A 37 37 LYS CB C 37 32.876 32.466 0.410 1
1 453 . 19 1 1 A 37 37 LYS N N 37 116.585 117.514 -0.929 1
1 454 . 19 1 1 A 38 38 THR H H 38 7.891 7.652 0.239 1
1 455 . 19 1 1 A 38 38 THR HA H 38 4.144 4.541 -0.397 1
1 460 . 19 1 1 A 38 38 THR C C 38 172.820 174.326 -1.506 1
1 461 . 19 1 1 A 38 38 THR CA C 38 61.719 62.241 -0.522 1
1 462 . 19 1 1 A 38 38 THR CB C 38 68.688 69.638 -0.950 1
1 464 . 19 1 1 A 38 38 THR N N 38 113.375 107.167 6.208 1
1 465 . 19 1 1 A 39 39 VAL H H 39 7.939 7.237 0.702 1
1 466 . 19 1 1 A 39 39 VAL HA H 39 4.148 4.394 -0.246 1
1 471 . 19 1 1 A 39 39 VAL C C 39 174.525 172.634 1.891 1
1 472 . 19 1 1 A 39 39 VAL CA C 39 62.125 60.692 1.433 1
1 473 . 19 1 1 A 39 39 VAL CB C 39 32.720 34.274 -1.554 1
1 475 . 19 1 1 A 39 39 VAL N N 39 120.564 119.489 1.075 1
1 476 . 19 1 1 A 40 40 GLU H H 40 8.586 8.665 -0.079 1
1 477 . 19 1 1 A 40 40 GLU HA H 40 4.533 5.011 -0.478 1
1 482 . 19 1 1 A 40 40 GLU C C 40 175.158 175.850 -0.692 1
1 483 . 19 1 1 A 40 40 GLU CA C 40 55.211 55.443 -0.232 1
1 484 . 19 1 1 A 40 40 GLU CB C 40 31.130 30.997 0.133 1
1 486 . 19 1 1 A 40 40 GLU N N 40 126.113 126.654 -0.541 1
1 487 . 19 1 1 A 41 41 GLY H H 41 8.042 8.579 -0.537 1
1 488 . 19 1 1 A 41 41 GLY HA2 H 41 4.059 4.061 -0.002 1
1 489 . 19 1 1 A 41 41 GLY HA3 H 41 3.533 4.131 -0.598 1
1 490 . 19 1 1 A 41 41 GLY C C 41 174.994 172.889 2.105 1
1 491 . 19 1 1 A 41 41 GLY CA C 41 45.300 44.688 0.612 1
1 492 . 19 1 1 A 41 41 GLY N N 41 107.727 113.230 -5.503 1
1 493 . 19 1 1 A 42 42 VAL H H 42 8.349 8.008 0.341 1
1 494 . 19 1 1 A 42 42 VAL HA H 42 4.303 4.238 0.065 1
1 499 . 19 1 1 A 42 42 VAL C C 42 176.649 175.121 1.528 1
1 500 . 19 1 1 A 42 42 VAL CA C 42 62.243 62.244 -0.001 1
1 501 . 19 1 1 A 42 42 VAL CB C 42 33.763 32.631 1.132 1
1 503 . 19 1 1 A 42 42 VAL N N 42 121.379 120.423 0.956 1
1 504 . 19 1 1 A 43 43 TRP H H 43 9.250 9.039 0.211 1
1 505 . 19 1 1 A 43 43 TRP HA H 43 5.104 5.582 -0.478 1
1 514 . 19 1 1 A 43 43 TRP C C 43 177.089 175.724 1.365 1
1 515 . 19 1 1 A 43 43 TRP CA C 43 57.991 55.962 2.029 1
1 516 . 19 1 1 A 43 43 TRP CB C 43 29.904 33.500 -3.596 1
1 521 . 19 1 1 A 43 43 TRP N N 43 130.568 126.467 4.101 1
1 523 . 19 1 1 A 44 44 THR H H 44 9.219 9.071 0.148 1
1 524 . 19 1 1 A 44 44 THR HA H 44 4.694 4.980 -0.286 1
1 529 . 19 1 1 A 44 44 THR C C 44 172.706 172.289 0.417 1
1 530 . 19 1 1 A 44 44 THR CA C 44 60.957 61.640 -0.683 1
1 531 . 19 1 1 A 44 44 THR CB C 44 72.616 71.439 1.177 1
1 533 . 19 1 1 A 44 44 THR N N 44 114.918 115.544 -0.626 1
1 534 . 19 1 1 A 45 45 TYR H H 45 8.553 9.139 -0.586 1
1 535 . 19 1 1 A 45 45 TYR HA H 45 5.002 4.897 0.105 1
1 540 . 19 1 1 A 45 45 TYR C C 45 173.745 174.124 -0.379 1
1 541 . 19 1 1 A 45 45 TYR CA C 45 57.249 57.432 -0.183 1
1 542 . 19 1 1 A 45 45 TYR CB C 45 41.719 40.532 1.187 1
1 545 . 19 1 1 A 45 45 TYR N N 45 121.490 128.667 -7.177 1
1 546 . 19 1 1 A 46 46 LYS H H 46 7.348 8.489 -1.141 1
1 547 . 19 1 1 A 46 46 LYS HA H 46 4.222 4.686 -0.464 1
1 554 . 19 1 1 A 46 46 LYS C C 46 175.715 175.557 0.158 1
1 555 . 19 1 1 A 46 46 LYS CA C 46 53.576 54.577 -1.001 1
1 556 . 19 1 1 A 46 46 LYS CB C 46 33.582 35.063 -1.481 1
1 560 . 19 1 1 A 46 46 LYS N N 46 129.620 126.369 3.251 1
1 561 . 19 1 1 A 47 47 ASP H H 47 8.578 8.838 -0.260 1
1 562 . 19 1 1 A 47 47 ASP HA H 47 4.126 4.826 -0.700 1
1 565 . 19 1 1 A 47 47 ASP C C 47 179.207 176.573 2.634 1
1 566 . 19 1 1 A 47 47 ASP CA C 47 57.191 53.551 3.640 1
1 567 . 19 1 1 A 47 47 ASP CB C 47 41.969 41.146 0.823 1
1 568 . 19 1 1 A 47 47 ASP N N 47 125.757 125.936 -0.179 1
1 569 . 19 1 1 A 48 48 GLU H H 48 9.445 8.074 1.371 1
1 570 . 19 1 1 A 48 48 GLU HA H 48 3.918 4.157 -0.239 1
1 575 . 19 1 1 A 48 48 GLU C C 48 177.578 177.000 0.578 1
1 576 . 19 1 1 A 48 48 GLU CA C 48 60.066 58.287 1.779 1
1 577 . 19 1 1 A 48 48 GLU CB C 48 29.343 31.197 -1.854 1
1 579 . 19 1 1 A 48 48 GLU N N 48 117.612 119.959 -2.347 1
1 580 . 19 1 1 A 49 49 THR H H 49 6.624 7.580 -0.956 1
1 581 . 19 1 1 A 49 49 THR HA H 49 4.414 4.582 -0.168 1
1 586 . 19 1 1 A 49 49 THR C C 49 175.232 173.788 1.444 1
1 587 . 19 1 1 A 49 49 THR CA C 49 59.873 60.540 -0.667 1
1 588 . 19 1 1 A 49 49 THR CB C 49 69.188 69.535 -0.347 1
1 590 . 19 1 1 A 49 49 THR N N 49 103.078 110.925 -7.847 1
1 591 . 19 1 1 A 50 50 LYS H H 50 7.828 7.904 -0.076 1
1 592 . 19 1 1 A 50 50 LYS HA H 50 4.139 4.280 -0.141 1
1 597 . 19 1 1 A 50 50 LYS C C 50 174.786 175.038 -0.252 1
1 598 . 19 1 1 A 50 50 LYS CA C 50 55.981 56.853 -0.872 1
1 599 . 19 1 1 A 50 50 LYS CB C 50 29.258 30.125 -0.867 1
1 602 . 19 1 1 A 50 50 LYS N N 50 123.628 117.435 6.193 1
1 603 . 19 1 1 A 51 51 THR H H 51 7.216 7.183 0.033 1
1 604 . 19 1 1 A 51 51 THR HA H 51 5.433 5.352 0.081 1
1 609 . 19 1 1 A 51 51 THR C C 51 174.574 172.980 1.594 1
1 610 . 19 1 1 A 51 51 THR CA C 51 62.224 61.581 0.643 1
1 611 . 19 1 1 A 51 51 THR CB C 51 72.346 72.257 0.089 1
1 613 . 19 1 1 A 51 51 THR N N 51 110.763 113.340 -2.577 1
1 614 . 19 1 1 A 52 52 PHE H H 52 10.222 9.772 0.450 1
1 615 . 19 1 1 A 52 52 PHE HA H 52 5.447 5.545 -0.098 1
1 622 . 19 1 1 A 52 52 PHE C C 52 174.401 175.275 -0.874 1
1 623 . 19 1 1 A 52 52 PHE CA C 52 57.269 56.345 0.924 1
1 624 . 19 1 1 A 52 52 PHE CB C 52 42.143 42.818 -0.675 1
1 629 . 19 1 1 A 52 52 PHE N N 52 130.993 124.648 6.345 1
1 630 . 19 1 1 A 53 53 THR H H 53 9.099 8.769 0.330 1
1 631 . 19 1 1 A 53 53 THR HA H 53 5.108 5.016 0.092 1
1 636 . 19 1 1 A 53 53 THR C C 53 172.565 172.693 -0.128 1
1 637 . 19 1 1 A 53 53 THR CA C 53 61.737 61.674 0.063 1
1 638 . 19 1 1 A 53 53 THR CB C 53 70.663 71.136 -0.473 1
1 640 . 19 1 1 A 53 53 THR N N 53 117.968 115.102 2.866 1
1 641 . 19 1 1 A 54 54 VAL H H 54 8.496 8.592 -0.096 1
1 642 . 19 1 1 A 54 54 VAL HA H 54 4.410 5.128 -0.718 1
1 650 . 19 1 1 A 54 54 VAL C C 54 173.790 173.489 0.301 1
1 651 . 19 1 1 A 54 54 VAL CA C 54 59.103 59.766 -0.663 1
1 652 . 19 1 1 A 54 54 VAL CB C 54 32.651 34.525 -1.874 1
1 655 . 19 1 1 A 54 54 VAL N N 54 125.071 126.279 -1.208 1
1 656 . 19 1 1 A 55 55 THR H H 55 8.265 8.322 -0.057 1
1 657 . 19 1 1 A 55 55 THR HA H 55 4.792 4.737 0.055 1
1 662 . 19 1 1 A 55 55 THR C C 55 173.789 171.865 1.924 1
1 663 . 19 1 1 A 55 55 THR CA C 55 61.035 59.999 1.036 1
1 664 . 19 1 1 A 55 55 THR CB C 55 71.261 70.637 0.624 1
1 666 . 19 1 1 A 55 55 THR N N 55 122.202 121.135 1.067 1
1 10 . 20 1 1 A 2 2 THR H H 2 8.719 7.921 0.798 1
1 11 . 20 1 1 A 2 2 THR HA H 2 4.251 4.988 -0.737 1
1 16 . 20 1 1 A 2 2 THR C C 2 172.951 172.994 -0.043 1
1 17 . 20 1 1 A 2 2 THR CA C 2 63.748 61.265 2.483 1
1 18 . 20 1 1 A 2 2 THR CB C 2 68.568 70.196 -1.628 1
1 20 . 20 1 1 A 2 2 THR N N 2 123.894 111.981 11.913 1
1 21 . 20 1 1 A 3 3 TYR H H 3 8.841 9.406 -0.565 1
1 22 . 20 1 1 A 3 3 TYR HA H 3 5.289 5.405 -0.116 1
1 29 . 20 1 1 A 3 3 TYR C C 3 173.975 174.693 -0.718 1
1 30 . 20 1 1 A 3 3 TYR CA C 3 57.850 56.459 1.391 1
1 31 . 20 1 1 A 3 3 TYR CB C 3 43.043 40.850 2.193 1
1 36 . 20 1 1 A 3 3 TYR N N 3 127.370 126.198 1.172 1
1 37 . 20 1 1 A 4 4 LYS H H 4 8.791 9.121 -0.330 1
1 38 . 20 1 1 A 4 4 LYS HA H 4 5.344 5.426 -0.082 1
1 43 . 20 1 1 A 4 4 LYS C C 4 173.055 174.663 -1.608 1
1 44 . 20 1 1 A 4 4 LYS CA C 4 54.537 55.233 -0.696 1
1 45 . 20 1 1 A 4 4 LYS CB C 4 35.881 35.215 0.666 1
1 48 . 20 1 1 A 4 4 LYS N N 4 121.038 124.791 -3.753 1
1 49 . 20 1 1 A 5 5 LEU H H 5 9.005 8.745 0.260 1
1 50 . 20 1 1 A 5 5 LEU HA H 5 4.889 4.993 -0.104 1
1 60 . 20 1 1 A 5 5 LEU C C 5 174.789 173.881 0.908 1
1 61 . 20 1 1 A 5 5 LEU CA C 5 52.566 53.504 -0.938 1
1 62 . 20 1 1 A 5 5 LEU CB C 5 44.174 45.271 -1.097 1
1 65 . 20 1 1 A 5 5 LEU N N 5 126.547 125.923 0.624 1
1 66 . 20 1 1 A 6 6 ILE H H 6 9.104 8.575 0.529 1
1 67 . 20 1 1 A 6 6 ILE HA H 6 4.970 5.002 -0.032 1
1 71 . 20 1 1 A 6 6 ILE C C 6 174.690 173.871 0.819 1
1 72 . 20 1 1 A 6 6 ILE CA C 6 60.313 59.697 0.616 1
1 73 . 20 1 1 A 6 6 ILE CB C 6 38.652 41.408 -2.756 1
1 76 . 20 1 1 A 6 6 ILE N N 6 126.502 125.051 1.451 1
1 77 . 20 1 1 A 7 7 LEU H H 7 8.907 9.079 -0.172 1
1 78 . 20 1 1 A 7 7 LEU HA H 7 4.452 5.913 -1.461 1
1 88 . 20 1 1 A 7 7 LEU C C 7 174.573 174.918 -0.345 1
1 89 . 20 1 1 A 7 7 LEU CA C 7 54.010 53.027 0.983 1
1 90 . 20 1 1 A 7 7 LEU CB C 7 41.072 44.267 -3.195 1
1 93 . 20 1 1 A 7 7 LEU N N 7 126.037 130.410 -4.373 1
1 94 . 20 1 1 A 8 8 ASN H H 8 8.941 8.563 0.378 1
1 95 . 20 1 1 A 8 8 ASN HA H 8 4.943 5.288 -0.345 1
1 100 . 20 1 1 A 8 8 ASN C C 8 174.323 174.557 -0.234 1
1 101 . 20 1 1 A 8 8 ASN CA C 8 51.785 52.011 -0.226 1
1 102 . 20 1 1 A 8 8 ASN CB C 8 38.008 39.502 -1.494 1
1 103 . 20 1 1 A 8 8 ASN N N 8 125.436 123.563 1.873 1
1 105 . 20 1 1 A 9 9 LEU H H 9 7.636 8.181 -0.545 1
1 106 . 20 1 1 A 9 9 LEU HA H 9 4.548 4.672 -0.124 1
1 113 . 20 1 1 A 9 9 LEU C C 9 177.230 177.970 -0.740 1
1 114 . 20 1 1 A 9 9 LEU CA C 9 53.502 53.678 -0.176 1
1 115 . 20 1 1 A 9 9 LEU CB C 9 41.569 42.765 -1.196 1
1 118 . 20 1 1 A 9 9 LEU N N 9 121.638 126.814 -5.176 1
1 119 . 20 1 1 A 10 10 LYS H H 10 9.138 8.637 0.501 1
1 120 . 20 1 1 A 10 10 LYS HA H 10 3.964 4.107 -0.143 1
1 127 . 20 1 1 A 10 10 LYS C C 10 179.119 178.542 0.577 1
1 128 . 20 1 1 A 10 10 LYS CA C 10 59.786 58.594 1.192 1
1 129 . 20 1 1 A 10 10 LYS CB C 10 31.825 32.614 -0.789 1
1 133 . 20 1 1 A 10 10 LYS N N 10 120.948 122.274 -1.326 1
1 134 . 20 1 1 A 11 11 GLN H H 11 8.432 7.790 0.642 1
1 135 . 20 1 1 A 11 11 GLN HA H 11 4.325 4.227 0.098 1
1 140 . 20 1 1 A 11 11 GLN C C 11 175.294 176.079 -0.785 1
1 141 . 20 1 1 A 11 11 GLN CA C 11 55.903 57.898 -1.995 1
1 142 . 20 1 1 A 11 11 GLN CB C 11 29.207 29.487 -0.280 1
1 144 . 20 1 1 A 11 11 GLN N N 11 113.252 116.334 -3.082 1
1 145 . 20 1 1 A 12 12 ALA H H 12 7.079 7.472 -0.393 1
1 146 . 20 1 1 A 12 12 ALA HA H 12 4.318 4.481 -0.163 1
1 150 . 20 1 1 A 12 12 ALA C C 12 174.190 174.881 -0.691 1
1 151 . 20 1 1 A 12 12 ALA CA C 12 52.507 51.510 0.997 1
1 152 . 20 1 1 A 12 12 ALA CB C 12 21.479 22.072 -0.593 1
1 153 . 20 1 1 A 12 12 ALA N N 12 120.435 118.207 2.228 1
1 154 . 20 1 1 A 13 13 LYS H H 13 8.156 8.420 -0.264 1
1 155 . 20 1 1 A 13 13 LYS HA H 13 5.197 4.843 0.354 1
1 162 . 20 1 1 A 13 13 LYS C C 13 176.127 175.053 1.074 1
1 163 . 20 1 1 A 13 13 LYS CA C 13 55.036 55.546 -0.510 1
1 164 . 20 1 1 A 13 13 LYS CB C 13 33.890 33.656 0.234 1
1 168 . 20 1 1 A 13 13 LYS N N 13 120.644 118.880 1.764 1
1 169 . 20 1 1 A 14 14 GLU H H 14 8.545 8.909 -0.364 1
1 170 . 20 1 1 A 14 14 GLU HA H 14 4.629 5.265 -0.636 1
1 175 . 20 1 1 A 14 14 GLU C C 14 173.875 175.153 -1.278 1
1 176 . 20 1 1 A 14 14 GLU CA C 14 54.680 54.836 -0.156 1
1 177 . 20 1 1 A 14 14 GLU CB C 14 34.319 32.863 1.456 1
1 179 . 20 1 1 A 14 14 GLU N N 14 123.133 125.105 -1.972 1
1 180 . 20 1 1 A 15 15 GLU H H 15 8.532 9.054 -0.522 1
1 181 . 20 1 1 A 15 15 GLU HA H 15 5.465 5.220 0.245 1
1 186 . 20 1 1 A 15 15 GLU C C 15 175.284 174.734 0.550 1
1 188 . 20 1 1 A 15 15 GLU N N 15 120.437 125.176 -4.739 1
1 189 . 20 1 1 A 16 16 ALA H H 16 9.161 8.289 0.872 1
1 190 . 20 1 1 A 16 16 ALA HA H 16 4.731 5.045 -0.314 1
1 194 . 20 1 1 A 16 16 ALA C C 16 174.936 175.271 -0.335 1
1 195 . 20 1 1 A 16 16 ALA CA C 16 51.278 51.116 0.162 1
1 196 . 20 1 1 A 16 16 ALA CB C 16 22.037 23.940 -1.903 1
1 197 . 20 1 1 A 16 16 ALA N N 16 126.588 121.890 4.698 1
1 198 . 20 1 1 A 17 17 ILE H H 17 8.387 8.860 -0.473 1
1 199 . 20 1 1 A 17 17 ILE HA H 17 5.325 5.168 0.157 1
1 206 . 20 1 1 A 17 17 ILE C C 17 176.066 173.682 2.384 1
1 210 . 20 1 1 A 17 17 ILE N N 17 117.620 119.416 -1.796 1
1 211 . 20 1 1 A 18 18 LYS H H 18 9.152 9.888 -0.736 1
1 212 . 20 1 1 A 18 18 LYS HA H 18 4.385 4.794 -0.409 1
1 221 . 20 1 1 A 18 18 LYS C C 18 173.587 175.259 -1.672 1
1 222 . 20 1 1 A 18 18 LYS CA C 18 55.084 53.941 1.143 1
1 223 . 20 1 1 A 18 18 LYS CB C 18 36.862 35.758 1.104 1
1 227 . 20 1 1 A 18 18 LYS N N 18 125.563 128.025 -2.462 1
1 228 . 20 1 1 A 19 19 GLU H H 19 8.337 8.251 0.086 1
1 229 . 20 1 1 A 19 19 GLU HA H 19 4.907 5.444 -0.537 1
1 234 . 20 1 1 A 19 19 GLU C C 19 175.687 175.131 0.556 1
1 235 . 20 1 1 A 19 19 GLU CA C 19 55.679 54.722 0.957 1
1 236 . 20 1 1 A 19 19 GLU CB C 19 29.158 32.217 -3.059 1
1 238 . 20 1 1 A 19 19 GLU N N 19 127.836 119.565 8.271 1
1 239 . 20 1 1 A 20 20 LEU H H 20 8.710 9.113 -0.403 1
1 240 . 20 1 1 A 20 20 LEU HA H 20 4.798 4.798 0.000 1
1 247 . 20 1 1 A 20 20 LEU C C 20 177.829 176.311 1.518 1
1 248 . 20 1 1 A 20 20 LEU CA C 20 53.519 53.056 0.463 1
1 249 . 20 1 1 A 20 20 LEU CB C 20 47.902 45.633 2.269 1
1 252 . 20 1 1 A 20 20 LEU N N 20 127.240 125.166 2.074 1
1 253 . 20 1 1 A 21 21 VAL H H 21 8.236 8.410 -0.174 1
1 254 . 20 1 1 A 21 21 VAL HA H 21 3.947 4.115 -0.168 1
1 259 . 20 1 1 A 21 21 VAL C C 21 175.301 175.932 -0.631 1
1 260 . 20 1 1 A 21 21 VAL CA C 21 64.879 63.484 1.395 1
1 261 . 20 1 1 A 21 21 VAL CB C 21 32.290 32.858 -0.568 1
1 263 . 20 1 1 A 21 21 VAL N N 21 116.513 118.983 -2.470 1
1 264 . 20 1 1 A 22 22 ASP H H 22 7.071 7.879 -0.808 1
1 265 . 20 1 1 A 22 22 ASP HA H 22 4.028 5.050 -1.022 1
1 268 . 20 1 1 A 22 22 ASP C C 22 172.221 176.328 -4.107 1
1 269 . 20 1 1 A 22 22 ASP CA C 22 52.983 52.701 0.282 1
1 270 . 20 1 1 A 22 22 ASP CB C 22 42.107 42.365 -0.258 1
1 271 . 20 1 1 A 22 22 ASP N N 22 115.040 118.567 -3.527 1
1 272 . 20 1 1 A 23 23 ALA H H 23 8.332 8.845 -0.513 1
1 273 . 20 1 1 A 23 23 ALA HA H 23 4.136 3.768 0.368 1
1 277 . 20 1 1 A 23 23 ALA C C 23 179.560 179.472 0.088 1
1 278 . 20 1 1 A 23 23 ALA CA C 23 55.215 54.924 0.291 1
1 279 . 20 1 1 A 23 23 ALA CB C 23 17.337 18.699 -1.362 1
1 280 . 20 1 1 A 23 23 ALA N N 23 121.322 121.813 -0.491 1
1 281 . 20 1 1 A 24 24 ALA H H 24 8.168 8.141 0.027 1
1 282 . 20 1 1 A 24 24 ALA HA H 24 4.000 4.017 -0.017 1
1 286 . 20 1 1 A 24 24 ALA C C 24 181.170 179.562 1.608 1
1 287 . 20 1 1 A 24 24 ALA CA C 24 54.771 55.153 -0.382 1
1 288 . 20 1 1 A 24 24 ALA CB C 24 17.274 18.657 -1.383 1
1 289 . 20 1 1 A 24 24 ALA N N 24 122.440 120.231 2.209 1
1 290 . 20 1 1 A 25 25 THR H H 25 8.444 8.201 0.243 1
1 291 . 20 1 1 A 25 25 THR HA H 25 3.924 3.862 0.062 1
1 296 . 20 1 1 A 25 25 THR C C 25 176.695 176.259 0.436 1
1 297 . 20 1 1 A 25 25 THR CA C 25 66.636 66.410 0.226 1
1 298 . 20 1 1 A 25 25 THR CB C 25 68.177 68.449 -0.272 1
1 300 . 20 1 1 A 25 25 THR N N 25 117.219 113.295 3.924 1
1 301 . 20 1 1 A 26 26 ALA H H 26 7.755 7.740 0.015 1
1 302 . 20 1 1 A 26 26 ALA HA H 26 3.427 3.635 -0.208 1
1 306 . 20 1 1 A 26 26 ALA C C 26 176.844 180.292 -3.448 1
1 307 . 20 1 1 A 26 26 ALA CA C 26 55.025 55.448 -0.423 1
1 308 . 20 1 1 A 26 26 ALA CB C 26 17.772 17.394 0.378 1
1 309 . 20 1 1 A 26 26 ALA N N 26 125.147 122.877 2.270 1
1 310 . 20 1 1 A 27 27 GLU H H 27 8.412 8.941 -0.529 1
1 311 . 20 1 1 A 27 27 GLU HA H 27 2.758 3.878 -1.120 1
1 316 . 20 1 1 A 27 27 GLU C C 27 177.417 179.049 -1.632 1
1 317 . 20 1 1 A 27 27 GLU CA C 27 59.932 59.450 0.482 1
1 318 . 20 1 1 A 27 27 GLU CB C 27 28.943 29.236 -0.293 1
1 320 . 20 1 1 A 27 27 GLU N N 27 119.203 117.938 1.265 1
1 321 . 20 1 1 A 28 28 LYS H H 28 7.013 7.716 -0.703 1
1 322 . 20 1 1 A 28 28 LYS HA H 28 3.626 4.055 -0.429 1
1 329 . 20 1 1 A 28 28 LYS C C 28 178.802 178.605 0.197 1
1 330 . 20 1 1 A 28 28 LYS CA C 28 59.572 58.865 0.707 1
1 331 . 20 1 1 A 28 28 LYS CB C 28 32.290 32.378 -0.088 1
1 335 . 20 1 1 A 28 28 LYS N N 28 116.415 120.630 -4.215 1
1 336 . 20 1 1 A 29 29 TYR H H 29 7.815 8.388 -0.573 1
1 337 . 20 1 1 A 29 29 TYR HA H 29 3.841 4.234 -0.393 1
1 344 . 20 1 1 A 29 29 TYR C C 29 178.466 177.656 0.810 1
1 345 . 20 1 1 A 29 29 TYR CA C 29 61.703 61.542 0.161 1
1 346 . 20 1 1 A 29 29 TYR CB C 29 38.193 38.738 -0.545 1
1 351 . 20 1 1 A 29 29 TYR N N 29 119.360 120.639 -1.279 1
1 352 . 20 1 1 A 30 30 PHE H H 30 8.979 9.208 -0.229 1
1 353 . 20 1 1 A 30 30 PHE HA H 30 4.451 4.288 0.163 1
1 360 . 20 1 1 A 30 30 PHE C C 30 178.342 177.929 0.413 1
1 361 . 20 1 1 A 30 30 PHE CA C 30 59.395 62.019 -2.624 1
1 362 . 20 1 1 A 30 30 PHE CB C 30 37.451 38.482 -1.031 1
1 367 . 20 1 1 A 30 30 PHE N N 30 119.088 118.227 0.861 1
1 368 . 20 1 1 A 31 31 LYS H H 31 8.464 8.009 0.455 1
1 369 . 20 1 1 A 31 31 LYS HA H 31 3.983 4.419 -0.436 1
1 376 . 20 1 1 A 31 31 LYS C C 31 179.506 179.438 0.068 1
1 377 . 20 1 1 A 31 31 LYS CA C 31 60.031 59.862 0.169 1
1 378 . 20 1 1 A 31 31 LYS CB C 31 31.236 32.378 -1.142 1
1 381 . 20 1 1 A 31 31 LYS N N 31 122.220 120.503 1.717 1
1 382 . 20 1 1 A 32 32 LEU H H 32 7.314 7.920 -0.606 1
1 383 . 20 1 1 A 32 32 LEU HA H 32 3.990 4.050 -0.060 1
1 390 . 20 1 1 A 32 32 LEU C C 32 179.565 178.811 0.754 1
1 391 . 20 1 1 A 32 32 LEU CA C 32 58.069 57.541 0.528 1
1 392 . 20 1 1 A 32 32 LEU CB C 32 41.329 41.099 0.230 1
1 395 . 20 1 1 A 32 32 LEU N N 32 120.642 119.767 0.875 1
1 396 . 20 1 1 A 33 33 TYR H H 33 8.018 8.107 -0.089 1
1 397 . 20 1 1 A 33 33 TYR HA H 33 3.999 4.128 -0.129 1
1 405 . 20 1 1 A 33 33 TYR C C 33 177.598 177.785 -0.187 1
1 406 . 20 1 1 A 33 33 TYR CA C 33 61.107 61.514 -0.407 1
1 407 . 20 1 1 A 33 33 TYR CB C 33 39.081 39.363 -0.282 1
1 412 . 20 1 1 A 33 33 TYR N N 33 122.222 120.479 1.743 1
1 413 . 20 1 1 A 34 34 ALA H H 34 8.794 8.736 0.058 1
1 414 . 20 1 1 A 34 34 ALA HA H 34 3.783 4.151 -0.368 1
1 418 . 20 1 1 A 34 34 ALA C C 34 179.307 180.552 -1.245 1
1 419 . 20 1 1 A 34 34 ALA CA C 34 54.459 55.137 -0.678 1
1 420 . 20 1 1 A 34 34 ALA CB C 34 18.376 18.261 0.115 1
1 421 . 20 1 1 A 34 34 ALA N N 34 119.675 121.652 -1.977 1
1 422 . 20 1 1 A 35 35 ASN H H 35 8.156 8.039 0.117 1
1 423 . 20 1 1 A 35 35 ASN HA H 35 4.489 4.522 -0.033 1
1 426 . 20 1 1 A 35 35 ASN C C 35 177.869 176.932 0.937 1
1 427 . 20 1 1 A 35 35 ASN CA C 35 56.410 55.769 0.641 1
1 428 . 20 1 1 A 35 35 ASN CB C 35 38.339 38.476 -0.137 1
1 429 . 20 1 1 A 35 35 ASN N N 35 117.882 117.103 0.779 1
1 430 . 20 1 1 A 36 36 ALA H H 36 7.804 7.753 0.051 1
1 431 . 20 1 1 A 36 36 ALA HA H 36 4.087 4.297 -0.210 1
1 435 . 20 1 1 A 36 36 ALA C C 36 178.579 179.310 -0.731 1
1 436 . 20 1 1 A 36 36 ALA CA C 36 53.893 54.400 -0.507 1
1 437 . 20 1 1 A 36 36 ALA CB C 36 17.782 19.497 -1.715 1
1 438 . 20 1 1 A 36 36 ALA N N 36 121.244 121.292 -0.048 1
1 439 . 20 1 1 A 37 37 LYS H H 37 7.380 8.351 -0.971 1
1 440 . 20 1 1 A 37 37 LYS HA H 37 4.164 3.835 0.329 1
1 447 . 20 1 1 A 37 37 LYS C C 37 175.831 177.571 -1.740 1
1 448 . 20 1 1 A 37 37 LYS CA C 37 56.020 59.262 -3.242 1
1 449 . 20 1 1 A 37 37 LYS CB C 37 32.876 31.670 1.206 1
1 453 . 20 1 1 A 37 37 LYS N N 37 116.585 117.226 -0.641 1
1 454 . 20 1 1 A 38 38 THR H H 38 7.891 7.488 0.403 1
1 455 . 20 1 1 A 38 38 THR HA H 38 4.144 4.537 -0.393 1
1 460 . 20 1 1 A 38 38 THR C C 38 172.820 174.322 -1.502 1
1 461 . 20 1 1 A 38 38 THR CA C 38 61.719 61.978 -0.259 1
1 462 . 20 1 1 A 38 38 THR CB C 38 68.688 69.516 -0.828 1
1 464 . 20 1 1 A 38 38 THR N N 38 113.375 106.930 6.445 1
1 465 . 20 1 1 A 39 39 VAL H H 39 7.939 6.998 0.941 1
1 466 . 20 1 1 A 39 39 VAL HA H 39 4.148 4.401 -0.253 1
1 471 . 20 1 1 A 39 39 VAL C C 39 174.525 173.531 0.994 1
1 472 . 20 1 1 A 39 39 VAL CA C 39 62.125 60.776 1.349 1
1 473 . 20 1 1 A 39 39 VAL CB C 39 32.720 34.340 -1.620 1
1 475 . 20 1 1 A 39 39 VAL N N 39 120.564 119.589 0.975 1
1 476 . 20 1 1 A 40 40 GLU H H 40 8.586 8.640 -0.054 1
1 477 . 20 1 1 A 40 40 GLU HA H 40 4.533 5.167 -0.634 1
1 482 . 20 1 1 A 40 40 GLU C C 40 175.158 176.370 -1.212 1
1 483 . 20 1 1 A 40 40 GLU CA C 40 55.211 55.574 -0.363 1
1 484 . 20 1 1 A 40 40 GLU CB C 40 31.130 31.160 -0.030 1
1 486 . 20 1 1 A 40 40 GLU N N 40 126.113 123.941 2.172 1
1 487 . 20 1 1 A 41 41 GLY H H 41 8.042 8.576 -0.534 1
1 488 . 20 1 1 A 41 41 GLY HA2 H 41 4.059 4.125 -0.066 1
1 489 . 20 1 1 A 41 41 GLY HA3 H 41 3.533 4.181 -0.648 1
1 490 . 20 1 1 A 41 41 GLY C C 41 174.994 172.839 2.155 1
1 491 . 20 1 1 A 41 41 GLY CA C 41 45.300 45.485 -0.185 1
1 492 . 20 1 1 A 41 41 GLY N N 41 107.727 110.463 -2.736 1
1 493 . 20 1 1 A 42 42 VAL H H 42 8.349 8.488 -0.139 1
1 494 . 20 1 1 A 42 42 VAL HA H 42 4.303 4.471 -0.168 1
1 499 . 20 1 1 A 42 42 VAL C C 42 176.649 175.702 0.947 1
1 500 . 20 1 1 A 42 42 VAL CA C 42 62.243 61.584 0.659 1
1 501 . 20 1 1 A 42 42 VAL CB C 42 33.763 31.838 1.925 1
1 503 . 20 1 1 A 42 42 VAL N N 42 121.379 119.983 1.396 1
1 504 . 20 1 1 A 43 43 TRP H H 43 9.250 9.211 0.039 1
1 505 . 20 1 1 A 43 43 TRP HA H 43 5.104 5.093 0.011 1
1 514 . 20 1 1 A 43 43 TRP C C 43 177.089 176.277 0.812 1
1 515 . 20 1 1 A 43 43 TRP CA C 43 57.991 56.752 1.239 1
1 516 . 20 1 1 A 43 43 TRP CB C 43 29.904 31.326 -1.422 1
1 521 . 20 1 1 A 43 43 TRP N N 43 130.568 128.534 2.034 1
1 523 . 20 1 1 A 44 44 THR H H 44 9.219 8.908 0.311 1
1 524 . 20 1 1 A 44 44 THR HA H 44 4.694 5.173 -0.479 1
1 529 . 20 1 1 A 44 44 THR C C 44 172.706 172.273 0.433 1
1 530 . 20 1 1 A 44 44 THR CA C 44 60.957 60.764 0.193 1
1 531 . 20 1 1 A 44 44 THR CB C 44 72.616 71.224 1.392 1
1 533 . 20 1 1 A 44 44 THR N N 44 114.918 114.227 0.691 1
1 534 . 20 1 1 A 45 45 TYR H H 45 8.553 9.202 -0.649 1
1 535 . 20 1 1 A 45 45 TYR HA H 45 5.002 4.794 0.208 1
1 540 . 20 1 1 A 45 45 TYR C C 45 173.745 174.594 -0.849 1
1 541 . 20 1 1 A 45 45 TYR CA C 45 57.249 58.082 -0.833 1
1 542 . 20 1 1 A 45 45 TYR CB C 45 41.719 39.941 1.778 1
1 545 . 20 1 1 A 45 45 TYR N N 45 121.490 127.828 -6.338 1
1 546 . 20 1 1 A 46 46 LYS H H 46 7.348 8.308 -0.960 1
1 547 . 20 1 1 A 46 46 LYS HA H 46 4.222 4.782 -0.560 1
1 554 . 20 1 1 A 46 46 LYS C C 46 175.715 174.445 1.270 1
1 555 . 20 1 1 A 46 46 LYS CA C 46 53.576 54.243 -0.667 1
1 556 . 20 1 1 A 46 46 LYS CB C 46 33.582 34.998 -1.416 1
1 560 . 20 1 1 A 46 46 LYS N N 46 129.620 126.999 2.621 1
1 561 . 20 1 1 A 47 47 ASP H H 47 8.578 8.671 -0.093 1
1 562 . 20 1 1 A 47 47 ASP HA H 47 4.126 4.685 -0.559 1
1 565 . 20 1 1 A 47 47 ASP C C 47 179.207 176.609 2.598 1
1 566 . 20 1 1 A 47 47 ASP CA C 47 57.191 52.990 4.201 1
1 567 . 20 1 1 A 47 47 ASP CB C 47 41.969 39.627 2.342 1
1 568 . 20 1 1 A 47 47 ASP N N 47 125.757 125.940 -0.183 1
1 569 . 20 1 1 A 48 48 GLU H H 48 9.445 8.087 1.358 1
1 570 . 20 1 1 A 48 48 GLU HA H 48 3.918 4.490 -0.572 1
1 575 . 20 1 1 A 48 48 GLU C C 48 177.578 177.256 0.322 1
1 576 . 20 1 1 A 48 48 GLU CA C 48 60.066 57.386 2.680 1
1 577 . 20 1 1 A 48 48 GLU CB C 48 29.343 31.690 -2.347 1
1 579 . 20 1 1 A 48 48 GLU N N 48 117.612 122.304 -4.692 1
1 580 . 20 1 1 A 49 49 THR H H 49 6.624 7.590 -0.966 1
1 581 . 20 1 1 A 49 49 THR HA H 49 4.414 4.503 -0.089 1
1 586 . 20 1 1 A 49 49 THR C C 49 175.232 173.846 1.386 1
1 587 . 20 1 1 A 49 49 THR CA C 49 59.873 60.486 -0.613 1
1 588 . 20 1 1 A 49 49 THR CB C 49 69.188 69.050 0.138 1
1 590 . 20 1 1 A 49 49 THR N N 49 103.078 107.019 -3.941 1
1 591 . 20 1 1 A 50 50 LYS H H 50 7.828 7.940 -0.112 1
1 592 . 20 1 1 A 50 50 LYS HA H 50 4.139 4.305 -0.166 1
1 597 . 20 1 1 A 50 50 LYS C C 50 174.786 175.027 -0.241 1
1 598 . 20 1 1 A 50 50 LYS CA C 50 55.981 56.920 -0.939 1
1 599 . 20 1 1 A 50 50 LYS CB C 50 29.258 29.733 -0.475 1
1 602 . 20 1 1 A 50 50 LYS N N 50 123.628 115.270 8.358 1
1 603 . 20 1 1 A 51 51 THR H H 51 7.216 7.164 0.052 1
1 604 . 20 1 1 A 51 51 THR HA H 51 5.433 5.280 0.153 1
1 609 . 20 1 1 A 51 51 THR C C 51 174.574 172.858 1.716 1
1 610 . 20 1 1 A 51 51 THR CA C 51 62.224 61.682 0.542 1
1 611 . 20 1 1 A 51 51 THR CB C 51 72.346 72.052 0.294 1
1 613 . 20 1 1 A 51 51 THR N N 51 110.763 113.149 -2.386 1
1 614 . 20 1 1 A 52 52 PHE H H 52 10.222 9.795 0.427 1
1 615 . 20 1 1 A 52 52 PHE HA H 52 5.447 5.542 -0.095 1
1 622 . 20 1 1 A 52 52 PHE C C 52 174.401 175.269 -0.868 1
1 623 . 20 1 1 A 52 52 PHE CA C 52 57.269 56.176 1.093 1
1 624 . 20 1 1 A 52 52 PHE CB C 52 42.143 42.843 -0.700 1
1 629 . 20 1 1 A 52 52 PHE N N 52 130.993 124.578 6.415 1
1 630 . 20 1 1 A 53 53 THR H H 53 9.099 8.727 0.372 1
1 631 . 20 1 1 A 53 53 THR HA H 53 5.108 5.025 0.083 1
1 636 . 20 1 1 A 53 53 THR C C 53 172.565 172.741 -0.176 1
1 637 . 20 1 1 A 53 53 THR CA C 53 61.737 61.520 0.217 1
1 638 . 20 1 1 A 53 53 THR CB C 53 70.663 71.230 -0.567 1
1 640 . 20 1 1 A 53 53 THR N N 53 117.968 114.838 3.130 1
1 641 . 20 1 1 A 54 54 VAL H H 54 8.496 8.907 -0.411 1
1 642 . 20 1 1 A 54 54 VAL HA H 54 4.410 5.103 -0.693 1
1 650 . 20 1 1 A 54 54 VAL C C 54 173.790 173.448 0.342 1
1 651 . 20 1 1 A 54 54 VAL CA C 54 59.103 60.045 -0.942 1
1 652 . 20 1 1 A 54 54 VAL CB C 54 32.651 35.080 -2.429 1
1 655 . 20 1 1 A 54 54 VAL N N 54 125.071 126.109 -1.038 1
1 656 . 20 1 1 A 55 55 THR H H 55 8.265 8.455 -0.190 1
1 657 . 20 1 1 A 55 55 THR HA H 55 4.792 4.927 -0.135 1
1 662 . 20 1 1 A 55 55 THR C C 55 173.789 172.182 1.607 1
1 663 . 20 1 1 A 55 55 THR CA C 55 61.035 60.106 0.929 1
1 664 . 20 1 1 A 55 55 THR CB C 55 71.261 70.498 0.763 1
1 666 . 20 1 1 A 55 55 THR N N 55 122.202 120.725 1.477 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 54 1.190 1
2 1 1 1 "RMS(OBS, PRED)" CA 52 1.235 1
3 1 1 1 "RMS(OBS, PRED)" CB 51 1.446 1
4 1 1 1 "RMS(OBS, PRED)" H 54 0.531 1
5 1 1 1 "RMS(OBS, PRED)" HA 55 0.407 1
6 1 1 1 "RMS(OBS, PRED)" N 54 3.504 1
7 1 2 1 "RMS(OBS, PRED)" C 54 1.273 1
8 1 2 1 "RMS(OBS, PRED)" CA 52 1.170 1
9 1 2 1 "RMS(OBS, PRED)" CB 51 1.307 1
10 1 2 1 "RMS(OBS, PRED)" H 54 0.505 1
11 1 2 1 "RMS(OBS, PRED)" HA 55 0.405 1
12 1 2 1 "RMS(OBS, PRED)" N 54 3.432 1
13 1 3 1 "RMS(OBS, PRED)" C 54 1.292 1
14 1 3 1 "RMS(OBS, PRED)" CA 52 1.246 1
15 1 3 1 "RMS(OBS, PRED)" CB 51 1.499 1
16 1 3 1 "RMS(OBS, PRED)" H 54 0.520 1
17 1 3 1 "RMS(OBS, PRED)" HA 55 0.409 1
18 1 3 1 "RMS(OBS, PRED)" N 54 3.876 1
19 1 4 1 "RMS(OBS, PRED)" C 54 1.381 1
20 1 4 1 "RMS(OBS, PRED)" CA 52 1.513 1
21 1 4 1 "RMS(OBS, PRED)" CB 51 1.306 1
22 1 4 1 "RMS(OBS, PRED)" H 54 0.545 1
23 1 4 1 "RMS(OBS, PRED)" HA 55 0.417 1
24 1 4 1 "RMS(OBS, PRED)" N 54 3.809 1
25 1 5 1 "RMS(OBS, PRED)" C 54 1.236 1
26 1 5 1 "RMS(OBS, PRED)" CA 52 1.199 1
27 1 5 1 "RMS(OBS, PRED)" CB 51 1.411 1
28 1 5 1 "RMS(OBS, PRED)" H 54 0.517 1
29 1 5 1 "RMS(OBS, PRED)" HA 55 0.420 1
30 1 5 1 "RMS(OBS, PRED)" N 54 3.296 1
31 1 6 1 "RMS(OBS, PRED)" C 54 1.276 1
32 1 6 1 "RMS(OBS, PRED)" CA 52 1.227 1
33 1 6 1 "RMS(OBS, PRED)" CB 51 1.553 1
34 1 6 1 "RMS(OBS, PRED)" H 54 0.511 1
35 1 6 1 "RMS(OBS, PRED)" HA 55 0.427 1
36 1 6 1 "RMS(OBS, PRED)" N 54 3.045 1
37 1 7 1 "RMS(OBS, PRED)" C 54 1.137 1
38 1 7 1 "RMS(OBS, PRED)" CA 52 1.073 1
39 1 7 1 "RMS(OBS, PRED)" CB 51 1.493 1
40 1 7 1 "RMS(OBS, PRED)" H 54 0.503 1
41 1 7 1 "RMS(OBS, PRED)" HA 55 0.393 1
42 1 7 1 "RMS(OBS, PRED)" N 54 3.401 1
43 1 8 1 "RMS(OBS, PRED)" C 54 1.188 1
44 1 8 1 "RMS(OBS, PRED)" CA 52 1.228 1
45 1 8 1 "RMS(OBS, PRED)" CB 51 1.465 1
46 1 8 1 "RMS(OBS, PRED)" H 54 0.511 1
47 1 8 1 "RMS(OBS, PRED)" HA 55 0.383 1
48 1 8 1 "RMS(OBS, PRED)" N 54 3.474 1
49 1 9 1 "RMS(OBS, PRED)" C 54 1.278 1
50 1 9 1 "RMS(OBS, PRED)" CA 52 1.168 1
51 1 9 1 "RMS(OBS, PRED)" CB 51 1.385 1
52 1 9 1 "RMS(OBS, PRED)" H 54 0.515 1
53 1 9 1 "RMS(OBS, PRED)" HA 55 0.392 1
54 1 9 1 "RMS(OBS, PRED)" N 54 3.053 1
55 1 10 1 "RMS(OBS, PRED)" C 54 1.215 1
56 1 10 1 "RMS(OBS, PRED)" CA 52 1.338 1
57 1 10 1 "RMS(OBS, PRED)" CB 51 1.525 1
58 1 10 1 "RMS(OBS, PRED)" H 54 0.517 1
59 1 10 1 "RMS(OBS, PRED)" HA 55 0.452 1
60 1 10 1 "RMS(OBS, PRED)" N 54 3.591 1
61 1 11 1 "RMS(OBS, PRED)" C 54 1.133 1
62 1 11 1 "RMS(OBS, PRED)" CA 52 1.235 1
63 1 11 1 "RMS(OBS, PRED)" CB 51 1.349 1
64 1 11 1 "RMS(OBS, PRED)" H 54 0.484 1
65 1 11 1 "RMS(OBS, PRED)" HA 55 0.392 1
66 1 11 1 "RMS(OBS, PRED)" N 54 3.063 1
67 1 12 1 "RMS(OBS, PRED)" C 54 1.136 1
68 1 12 1 "RMS(OBS, PRED)" CA 52 1.217 1
69 1 12 1 "RMS(OBS, PRED)" CB 51 1.506 1
70 1 12 1 "RMS(OBS, PRED)" H 54 0.537 1
71 1 12 1 "RMS(OBS, PRED)" HA 55 0.420 1
72 1 12 1 "RMS(OBS, PRED)" N 54 3.145 1
73 1 13 1 "RMS(OBS, PRED)" C 54 1.246 1
74 1 13 1 "RMS(OBS, PRED)" CA 52 1.189 1
75 1 13 1 "RMS(OBS, PRED)" CB 51 1.460 1
76 1 13 1 "RMS(OBS, PRED)" H 54 0.475 1
77 1 13 1 "RMS(OBS, PRED)" HA 55 0.423 1
78 1 13 1 "RMS(OBS, PRED)" N 54 3.448 1
79 1 14 1 "RMS(OBS, PRED)" C 54 1.227 1
80 1 14 1 "RMS(OBS, PRED)" CA 52 1.043 1
81 1 14 1 "RMS(OBS, PRED)" CB 51 1.470 1
82 1 14 1 "RMS(OBS, PRED)" H 54 0.474 1
83 1 14 1 "RMS(OBS, PRED)" HA 55 0.366 1
84 1 14 1 "RMS(OBS, PRED)" N 54 3.398 1
85 1 15 1 "RMS(OBS, PRED)" C 54 1.204 1
86 1 15 1 "RMS(OBS, PRED)" CA 52 1.221 1
87 1 15 1 "RMS(OBS, PRED)" CB 51 1.252 1
88 1 15 1 "RMS(OBS, PRED)" H 54 0.532 1
89 1 15 1 "RMS(OBS, PRED)" HA 55 0.407 1
90 1 15 1 "RMS(OBS, PRED)" N 54 3.278 1
91 1 16 1 "RMS(OBS, PRED)" C 54 1.239 1
92 1 16 1 "RMS(OBS, PRED)" CA 52 1.172 1
93 1 16 1 "RMS(OBS, PRED)" CB 51 1.410 1
94 1 16 1 "RMS(OBS, PRED)" H 54 0.501 1
95 1 16 1 "RMS(OBS, PRED)" HA 55 0.422 1
96 1 16 1 "RMS(OBS, PRED)" N 54 3.085 1
97 1 17 1 "RMS(OBS, PRED)" C 54 1.209 1
98 1 17 1 "RMS(OBS, PRED)" CA 52 1.230 1
99 1 17 1 "RMS(OBS, PRED)" CB 51 1.407 1
100 1 17 1 "RMS(OBS, PRED)" H 54 0.533 1
101 1 17 1 "RMS(OBS, PRED)" HA 55 0.408 1
102 1 17 1 "RMS(OBS, PRED)" N 54 3.317 1
103 1 18 1 "RMS(OBS, PRED)" C 54 1.224 1
104 1 18 1 "RMS(OBS, PRED)" CA 52 1.201 1
105 1 18 1 "RMS(OBS, PRED)" CB 51 1.559 1
106 1 18 1 "RMS(OBS, PRED)" H 54 0.541 1
107 1 18 1 "RMS(OBS, PRED)" HA 55 0.415 1
108 1 18 1 "RMS(OBS, PRED)" N 54 3.733 1
109 1 19 1 "RMS(OBS, PRED)" C 54 1.328 1
110 1 19 1 "RMS(OBS, PRED)" CA 52 1.305 1
111 1 19 1 "RMS(OBS, PRED)" CB 51 1.453 1
112 1 19 1 "RMS(OBS, PRED)" H 54 0.524 1
113 1 19 1 "RMS(OBS, PRED)" HA 55 0.412 1
114 1 19 1 "RMS(OBS, PRED)" N 54 3.489 1
115 1 20 1 "RMS(OBS, PRED)" C 54 1.316 1
116 1 20 1 "RMS(OBS, PRED)" CA 52 1.228 1
117 1 20 1 "RMS(OBS, PRED)" CB 51 1.411 1
118 1 20 1 "RMS(OBS, PRED)" H 54 0.527 1
119 1 20 1 "RMS(OBS, PRED)" HA 55 0.436 1
120 1 20 1 "RMS(OBS, PRED)" N 54 3.666 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 10 . 1 1 A 2 2 THR H H 2 8.719 8.492 0.227 2
1 11 . 1 1 A 2 2 THR HA H 2 4.251 4.676 -0.425 2
1 16 . 1 1 A 2 2 THR C C 2 172.951 173.104 -0.153 2
1 17 . 1 1 A 2 2 THR CA C 2 63.748 61.799 1.949 2
1 18 . 1 1 A 2 2 THR CB C 2 68.568 69.591 -1.023 2
1 20 . 1 1 A 2 2 THR N N 2 123.894 117.719 6.175 2
1 21 . 1 1 A 3 3 TYR H H 3 8.841 9.433 -0.592 2
1 22 . 1 1 A 3 3 TYR HA H 3 5.289 5.284 0.005 2
1 29 . 1 1 A 3 3 TYR C C 3 173.975 175.022 -1.047 2
1 30 . 1 1 A 3 3 TYR CA C 3 57.850 56.773 1.077 2
1 31 . 1 1 A 3 3 TYR CB C 3 43.043 40.584 2.459 2
1 36 . 1 1 A 3 3 TYR N N 3 127.370 127.503 -0.133 2
1 37 . 1 1 A 4 4 LYS H H 4 8.791 9.027 -0.236 2
1 38 . 1 1 A 4 4 LYS HA H 4 5.344 5.398 -0.054 2
1 43 . 1 1 A 4 4 LYS C C 4 173.055 174.769 -1.714 2
1 44 . 1 1 A 4 4 LYS CA C 4 54.537 55.119 -0.582 2
1 45 . 1 1 A 4 4 LYS CB C 4 35.881 35.499 0.382 2
1 48 . 1 1 A 4 4 LYS N N 4 121.038 124.277 -3.239 2
1 49 . 1 1 A 5 5 LEU H H 5 9.005 8.879 0.126 2
1 50 . 1 1 A 5 5 LEU HA H 5 4.889 5.154 -0.265 2
1 60 . 1 1 A 5 5 LEU C C 5 174.789 174.456 0.333 2
1 61 . 1 1 A 5 5 LEU CA C 5 52.566 53.377 -0.811 2
1 62 . 1 1 A 5 5 LEU CB C 5 44.174 45.206 -1.032 2
1 65 . 1 1 A 5 5 LEU N N 5 126.547 126.379 0.168 2
1 66 . 1 1 A 6 6 ILE H H 6 9.104 8.615 0.489 2
1 67 . 1 1 A 6 6 ILE HA H 6 4.970 4.944 0.026 2
1 71 . 1 1 A 6 6 ILE C C 6 174.690 174.023 0.667 2
1 72 . 1 1 A 6 6 ILE CA C 6 60.313 59.287 1.026 2
1 73 . 1 1 A 6 6 ILE CB C 6 38.652 41.099 -2.447 2
1 76 . 1 1 A 6 6 ILE N N 6 126.502 123.358 3.144 2
1 77 . 1 1 A 7 7 LEU H H 7 8.907 9.354 -0.447 2
1 78 . 1 1 A 7 7 LEU HA H 7 4.452 5.666 -1.214 2
1 88 . 1 1 A 7 7 LEU C C 7 174.573 175.552 -0.979 2
1 89 . 1 1 A 7 7 LEU CA C 7 54.010 53.067 0.943 2
1 90 . 1 1 A 7 7 LEU CB C 7 41.072 44.507 -3.435 2
1 93 . 1 1 A 7 7 LEU N N 7 126.037 128.713 -2.676 2
1 94 . 1 1 A 8 8 ASN H H 8 8.941 8.633 0.308 2
1 95 . 1 1 A 8 8 ASN HA H 8 4.943 5.277 -0.334 2
1 100 . 1 1 A 8 8 ASN C C 8 174.323 174.481 -0.157 2
1 101 . 1 1 A 8 8 ASN CA C 8 51.785 52.059 -0.274 2
1 102 . 1 1 A 8 8 ASN CB C 8 38.008 39.788 -1.780 2
1 103 . 1 1 A 8 8 ASN N N 8 125.436 122.618 2.818 2
1 105 . 1 1 A 9 9 LEU H H 9 7.636 8.390 -0.754 2
1 106 . 1 1 A 9 9 LEU HA H 9 4.548 4.700 -0.152 2
1 113 . 1 1 A 9 9 LEU C C 9 177.230 177.797 -0.567 2
1 114 . 1 1 A 9 9 LEU CA C 9 53.502 53.584 -0.082 2
1 115 . 1 1 A 9 9 LEU CB C 9 41.569 43.085 -1.516 2
1 118 . 1 1 A 9 9 LEU N N 9 121.638 125.039 -3.401 2
1 119 . 1 1 A 10 10 LYS H H 10 9.138 8.675 0.463 2
1 120 . 1 1 A 10 10 LYS HA H 10 3.964 4.170 -0.206 2
1 127 . 1 1 A 10 10 LYS C C 10 179.119 177.799 1.320 2
1 128 . 1 1 A 10 10 LYS CA C 10 59.786 58.118 1.668 2
1 129 . 1 1 A 10 10 LYS CB C 10 31.825 32.314 -0.489 2
1 133 . 1 1 A 10 10 LYS N N 10 120.948 121.721 -0.772 2
1 134 . 1 1 A 11 11 GLN H H 11 8.432 7.901 0.531 2
1 135 . 1 1 A 11 11 GLN HA H 11 4.325 4.364 -0.039 2
1 140 . 1 1 A 11 11 GLN C C 11 175.294 175.577 -0.283 2
1 141 . 1 1 A 11 11 GLN CA C 11 55.903 56.869 -0.966 2
1 142 . 1 1 A 11 11 GLN CB C 11 29.207 29.871 -0.664 2
1 144 . 1 1 A 11 11 GLN N N 11 113.252 117.079 -3.827 2
1 145 . 1 1 A 12 12 ALA H H 12 7.079 7.571 -0.492 2
1 146 . 1 1 A 12 12 ALA HA H 12 4.318 4.601 -0.283 2
1 150 . 1 1 A 12 12 ALA C C 12 174.190 175.116 -0.926 2
1 151 . 1 1 A 12 12 ALA CA C 12 52.507 51.451 1.056 2
1 152 . 1 1 A 12 12 ALA CB C 12 21.479 22.258 -0.779 2
1 153 . 1 1 A 12 12 ALA N N 12 120.435 119.545 0.890 2
1 154 . 1 1 A 13 13 LYS H H 13 8.156 8.523 -0.367 2
1 155 . 1 1 A 13 13 LYS HA H 13 5.197 4.923 0.274 2
1 162 . 1 1 A 13 13 LYS C C 13 176.127 175.395 0.732 2
1 163 . 1 1 A 13 13 LYS CA C 13 55.036 54.983 0.053 2
1 164 . 1 1 A 13 13 LYS CB C 13 33.890 34.107 -0.217 2
1 168 . 1 1 A 13 13 LYS N N 13 120.644 119.577 1.067 2
1 169 . 1 1 A 14 14 GLU H H 14 8.545 8.903 -0.358 2
1 170 . 1 1 A 14 14 GLU HA H 14 4.629 5.185 -0.556 2
1 175 . 1 1 A 14 14 GLU C C 14 173.875 175.449 -1.574 2
1 176 . 1 1 A 14 14 GLU CA C 14 54.680 54.819 -0.139 2
1 177 . 1 1 A 14 14 GLU CB C 14 34.319 32.887 1.432 2
1 179 . 1 1 A 14 14 GLU N N 14 123.133 124.505 -1.372 2
1 180 . 1 1 A 15 15 GLU H H 15 8.532 9.007 -0.475 2
1 181 . 1 1 A 15 15 GLU HA H 15 5.465 5.233 0.232 2
1 186 . 1 1 A 15 15 GLU C C 15 175.284 174.868 0.416 2
1 188 . 1 1 A 15 15 GLU N N 15 120.437 122.439 -2.002 2
1 189 . 1 1 A 16 16 ALA H H 16 9.161 8.646 0.515 2
1 190 . 1 1 A 16 16 ALA HA H 16 4.731 4.912 -0.181 2
1 194 . 1 1 A 16 16 ALA C C 16 174.936 175.255 -0.319 2
1 195 . 1 1 A 16 16 ALA CA C 16 51.278 51.222 0.056 2
1 196 . 1 1 A 16 16 ALA CB C 16 22.037 23.819 -1.782 2
1 197 . 1 1 A 16 16 ALA N N 16 126.588 121.812 4.776 2
1 198 . 1 1 A 17 17 ILE H H 17 8.387 8.722 -0.335 2
1 199 . 1 1 A 17 17 ILE HA H 17 5.325 5.090 0.235 2
1 206 . 1 1 A 17 17 ILE C C 17 176.066 173.969 2.097 2
1 210 . 1 1 A 17 17 ILE N N 17 117.620 119.267 -1.647 2
1 211 . 1 1 A 18 18 LYS H H 18 9.152 9.687 -0.535 2
1 212 . 1 1 A 18 18 LYS HA H 18 4.385 4.882 -0.497 2
1 221 . 1 1 A 18 18 LYS C C 18 173.587 175.155 -1.568 2
1 222 . 1 1 A 18 18 LYS CA C 18 55.084 54.257 0.827 2
1 223 . 1 1 A 18 18 LYS CB C 18 36.862 36.081 0.781 2
1 227 . 1 1 A 18 18 LYS N N 18 125.563 127.237 -1.674 2
1 228 . 1 1 A 19 19 GLU H H 19 8.337 8.528 -0.191 2
1 229 . 1 1 A 19 19 GLU HA H 19 4.907 5.077 -0.170 2
1 234 . 1 1 A 19 19 GLU C C 19 175.687 175.330 0.357 2
1 235 . 1 1 A 19 19 GLU CA C 19 55.679 55.320 0.359 2
1 236 . 1 1 A 19 19 GLU CB C 19 29.158 31.530 -2.372 2
1 238 . 1 1 A 19 19 GLU N N 19 127.836 121.056 6.780 2
1 239 . 1 1 A 20 20 LEU H H 20 8.710 8.783 -0.073 2
1 240 . 1 1 A 20 20 LEU HA H 20 4.798 4.790 0.008 2
1 247 . 1 1 A 20 20 LEU C C 20 177.829 176.390 1.439 2
1 248 . 1 1 A 20 20 LEU CA C 20 53.519 53.186 0.333 2
1 249 . 1 1 A 20 20 LEU CB C 20 47.902 45.134 2.768 2
1 252 . 1 1 A 20 20 LEU N N 20 127.240 124.248 2.992 2
1 253 . 1 1 A 21 21 VAL H H 21 8.236 8.581 -0.345 2
1 254 . 1 1 A 21 21 VAL HA H 21 3.947 4.286 -0.339 2
1 259 . 1 1 A 21 21 VAL C C 21 175.301 175.317 -0.016 2
1 260 . 1 1 A 21 21 VAL CA C 21 64.879 62.973 1.906 2
1 261 . 1 1 A 21 21 VAL CB C 21 32.290 33.087 -0.797 2
1 263 . 1 1 A 21 21 VAL N N 21 116.513 119.146 -2.633 2
1 264 . 1 1 A 22 22 ASP H H 22 7.071 7.928 -0.857 2
1 265 . 1 1 A 22 22 ASP HA H 22 4.028 5.100 -1.072 2
1 268 . 1 1 A 22 22 ASP C C 22 172.221 175.806 -3.585 2
1 269 . 1 1 A 22 22 ASP CA C 22 52.983 52.748 0.235 2
1 270 . 1 1 A 22 22 ASP CB C 22 42.107 43.809 -1.702 2
1 271 . 1 1 A 22 22 ASP N N 22 115.040 119.565 -4.525 2
1 272 . 1 1 A 23 23 ALA H H 23 8.332 8.882 -0.550 2
1 273 . 1 1 A 23 23 ALA HA H 23 4.136 3.852 0.284 2
1 277 . 1 1 A 23 23 ALA C C 23 179.560 179.532 0.028 2
1 278 . 1 1 A 23 23 ALA CA C 23 55.215 54.998 0.217 2
1 279 . 1 1 A 23 23 ALA CB C 23 17.337 18.423 -1.086 2
1 280 . 1 1 A 23 23 ALA N N 23 121.322 123.615 -2.293 2
1 281 . 1 1 A 24 24 ALA H H 24 8.168 8.061 0.107 2
1 282 . 1 1 A 24 24 ALA HA H 24 4.000 4.006 -0.006 2
1 286 . 1 1 A 24 24 ALA C C 24 181.170 179.564 1.606 2
1 287 . 1 1 A 24 24 ALA CA C 24 54.771 55.132 -0.361 2
1 288 . 1 1 A 24 24 ALA CB C 24 17.274 18.871 -1.597 2
1 289 . 1 1 A 24 24 ALA N N 24 122.440 120.195 2.245 2
1 290 . 1 1 A 25 25 THR H H 25 8.444 7.999 0.445 2
1 291 . 1 1 A 25 25 THR HA H 25 3.924 3.860 0.064 2
1 296 . 1 1 A 25 25 THR C C 25 176.695 176.267 0.428 2
1 297 . 1 1 A 25 25 THR CA C 25 66.636 66.195 0.441 2
1 298 . 1 1 A 25 25 THR CB C 25 68.177 68.473 -0.296 2
1 300 . 1 1 A 25 25 THR N N 25 117.219 113.290 3.928 2
1 301 . 1 1 A 26 26 ALA H H 26 7.755 7.879 -0.124 2
1 302 . 1 1 A 26 26 ALA HA H 26 3.427 3.620 -0.193 2
1 306 . 1 1 A 26 26 ALA C C 26 176.844 179.611 -2.767 2
1 307 . 1 1 A 26 26 ALA CA C 26 55.025 55.344 -0.319 2
1 308 . 1 1 A 26 26 ALA CB C 26 17.772 17.457 0.315 2
1 309 . 1 1 A 26 26 ALA N N 26 125.147 122.948 2.199 2
1 310 . 1 1 A 27 27 GLU H H 27 8.412 8.975 -0.563 2
1 311 . 1 1 A 27 27 GLU HA H 27 2.758 3.687 -0.929 2
1 316 . 1 1 A 27 27 GLU C C 27 177.417 178.924 -1.507 2
1 317 . 1 1 A 27 27 GLU CA C 27 59.932 59.279 0.653 2
1 318 . 1 1 A 27 27 GLU CB C 27 28.943 29.146 -0.203 2
1 320 . 1 1 A 27 27 GLU N N 27 119.203 118.167 1.036 2
1 321 . 1 1 A 28 28 LYS H H 28 7.013 7.670 -0.657 2
1 322 . 1 1 A 28 28 LYS HA H 28 3.626 4.008 -0.382 2
1 329 . 1 1 A 28 28 LYS C C 28 178.802 178.499 0.303 2
1 330 . 1 1 A 28 28 LYS CA C 28 59.572 58.832 0.740 2
1 331 . 1 1 A 28 28 LYS CB C 28 32.290 32.339 -0.049 2
1 335 . 1 1 A 28 28 LYS N N 28 116.415 119.798 -3.383 2
1 336 . 1 1 A 29 29 TYR H H 29 7.815 8.367 -0.552 2
1 337 . 1 1 A 29 29 TYR HA H 29 3.841 4.231 -0.390 2
1 344 . 1 1 A 29 29 TYR C C 29 178.466 177.525 0.941 2
1 345 . 1 1 A 29 29 TYR CA C 29 61.703 61.564 0.139 2
1 346 . 1 1 A 29 29 TYR CB C 29 38.193 38.874 -0.681 2
1 351 . 1 1 A 29 29 TYR N N 29 119.360 120.783 -1.423 2
1 352 . 1 1 A 30 30 PHE H H 30 8.979 9.115 -0.136 2
1 353 . 1 1 A 30 30 PHE HA H 30 4.451 4.372 0.079 2
1 360 . 1 1 A 30 30 PHE C C 30 178.342 178.009 0.333 2
1 361 . 1 1 A 30 30 PHE CA C 30 59.395 61.974 -2.579 2
1 362 . 1 1 A 30 30 PHE CB C 30 37.451 38.513 -1.062 2
1 367 . 1 1 A 30 30 PHE N N 30 119.088 118.273 0.815 2
1 368 . 1 1 A 31 31 LYS H H 31 8.464 8.036 0.428 2
1 369 . 1 1 A 31 31 LYS HA H 31 3.983 4.389 -0.406 2
1 376 . 1 1 A 31 31 LYS C C 31 179.506 179.285 0.221 2
1 377 . 1 1 A 31 31 LYS CA C 31 60.031 59.643 0.388 2
1 378 . 1 1 A 31 31 LYS CB C 31 31.236 32.118 -0.882 2
1 381 . 1 1 A 31 31 LYS N N 31 122.220 120.540 1.680 2
1 382 . 1 1 A 32 32 LEU H H 32 7.314 7.973 -0.659 2
1 383 . 1 1 A 32 32 LEU HA H 32 3.990 4.025 -0.035 2
1 390 . 1 1 A 32 32 LEU C C 32 179.565 178.938 0.627 2
1 391 . 1 1 A 32 32 LEU CA C 32 58.069 57.603 0.466 2
1 392 . 1 1 A 32 32 LEU CB C 32 41.329 41.187 0.142 2
1 395 . 1 1 A 32 32 LEU N N 32 120.642 119.392 1.250 2
1 396 . 1 1 A 33 33 TYR H H 33 8.018 8.184 -0.166 2
1 397 . 1 1 A 33 33 TYR HA H 33 3.999 4.114 -0.115 2
1 405 . 1 1 A 33 33 TYR C C 33 177.598 177.852 -0.254 2
1 406 . 1 1 A 33 33 TYR CA C 33 61.107 61.683 -0.576 2
1 407 . 1 1 A 33 33 TYR CB C 33 39.081 39.028 0.053 2
1 412 . 1 1 A 33 33 TYR N N 33 122.222 119.636 2.586 2
1 413 . 1 1 A 34 34 ALA H H 34 8.794 8.579 0.215 2
1 414 . 1 1 A 34 34 ALA HA H 34 3.783 4.184 -0.401 2
1 418 . 1 1 A 34 34 ALA C C 34 179.307 179.870 -0.563 2
1 419 . 1 1 A 34 34 ALA CA C 34 54.459 55.044 -0.585 2
1 420 . 1 1 A 34 34 ALA CB C 34 18.376 18.233 0.143 2
1 421 . 1 1 A 34 34 ALA N N 34 119.675 121.639 -1.964 2
1 422 . 1 1 A 35 35 ASN H H 35 8.156 7.973 0.183 2
1 423 . 1 1 A 35 35 ASN HA H 35 4.489 4.544 -0.055 2
1 426 . 1 1 A 35 35 ASN C C 35 177.869 176.965 0.904 2
1 427 . 1 1 A 35 35 ASN CA C 35 56.410 55.668 0.742 2
1 428 . 1 1 A 35 35 ASN CB C 35 38.339 38.626 -0.287 2
1 429 . 1 1 A 35 35 ASN N N 35 117.882 116.963 0.919 2
1 430 . 1 1 A 36 36 ALA H H 36 7.804 7.562 0.242 2
1 431 . 1 1 A 36 36 ALA HA H 36 4.087 4.198 -0.111 2
1 435 . 1 1 A 36 36 ALA C C 36 178.579 179.277 -0.698 2
1 436 . 1 1 A 36 36 ALA CA C 36 53.893 54.472 -0.579 2
1 437 . 1 1 A 36 36 ALA CB C 36 17.782 19.100 -1.318 2
1 438 . 1 1 A 36 36 ALA N N 36 121.244 121.758 -0.514 2
1 439 . 1 1 A 37 37 LYS H H 37 7.380 8.149 -0.769 2
1 440 . 1 1 A 37 37 LYS HA H 37 4.164 3.877 0.287 2
1 447 . 1 1 A 37 37 LYS C C 37 175.831 177.036 -1.205 2
1 448 . 1 1 A 37 37 LYS CA C 37 56.020 58.995 -2.975 2
1 449 . 1 1 A 37 37 LYS CB C 37 32.876 31.997 0.879 2
1 453 . 1 1 A 37 37 LYS N N 37 116.585 117.124 -0.540 2
1 454 . 1 1 A 38 38 THR H H 38 7.891 7.562 0.329 2
1 455 . 1 1 A 38 38 THR HA H 38 4.144 4.665 -0.521 2
1 460 . 1 1 A 38 38 THR C C 38 172.820 173.738 -0.918 2
1 461 . 1 1 A 38 38 THR CA C 38 61.719 61.007 0.712 2
1 462 . 1 1 A 38 38 THR CB C 38 68.688 70.293 -1.605 2
1 464 . 1 1 A 38 38 THR N N 38 113.375 109.356 4.019 2
1 465 . 1 1 A 39 39 VAL H H 39 7.939 8.147 -0.208 2
1 466 . 1 1 A 39 39 VAL HA H 39 4.148 4.670 -0.522 2
1 471 . 1 1 A 39 39 VAL C C 39 174.525 174.325 0.200 2
1 472 . 1 1 A 39 39 VAL CA C 39 62.125 60.117 2.008 2
1 473 . 1 1 A 39 39 VAL CB C 39 32.720 34.244 -1.524 2
1 475 . 1 1 A 39 39 VAL N N 39 120.564 118.467 2.097 2
1 476 . 1 1 A 40 40 GLU H H 40 8.586 8.693 -0.107 2
1 477 . 1 1 A 40 40 GLU HA H 40 4.533 5.029 -0.496 2
1 482 . 1 1 A 40 40 GLU C C 40 175.158 175.702 -0.544 2
1 483 . 1 1 A 40 40 GLU CA C 40 55.211 55.246 -0.035 2
1 484 . 1 1 A 40 40 GLU CB C 40 31.130 31.387 -0.257 2
1 486 . 1 1 A 40 40 GLU N N 40 126.113 123.228 2.885 2
1 487 . 1 1 A 41 41 GLY H H 41 8.042 8.553 -0.511 2
1 488 . 1 1 A 41 41 GLY HA2 H 41 4.059 4.129 -0.070 2
1 489 . 1 1 A 41 41 GLY HA3 H 41 3.533 4.188 -0.654 2
1 490 . 1 1 A 41 41 GLY C C 41 174.994 172.928 2.066 2
1 491 . 1 1 A 41 41 GLY CA C 41 45.300 45.040 0.260 2
1 492 . 1 1 A 41 41 GLY N N 41 107.727 111.582 -3.855 2
1 493 . 1 1 A 42 42 VAL H H 42 8.349 8.442 -0.093 2
1 494 . 1 1 A 42 42 VAL HA H 42 4.303 4.260 0.043 2
1 499 . 1 1 A 42 42 VAL C C 42 176.649 175.591 1.058 2
1 500 . 1 1 A 42 42 VAL CA C 42 62.243 62.335 -0.092 2
1 501 . 1 1 A 42 42 VAL CB C 42 33.763 32.289 1.474 2
1 503 . 1 1 A 42 42 VAL N N 42 121.379 120.169 1.210 2
1 504 . 1 1 A 43 43 TRP H H 43 9.250 9.144 0.106 2
1 505 . 1 1 A 43 43 TRP HA H 43 5.104 5.388 -0.284 2
1 514 . 1 1 A 43 43 TRP C C 43 177.089 175.858 1.231 2
1 515 . 1 1 A 43 43 TRP CA C 43 57.991 56.199 1.792 2
1 516 . 1 1 A 43 43 TRP CB C 43 29.904 32.332 -2.428 2
1 521 . 1 1 A 43 43 TRP N N 43 130.568 126.468 4.100 2
1 523 . 1 1 A 44 44 THR H H 44 9.219 9.145 0.074 2
1 524 . 1 1 A 44 44 THR HA H 44 4.694 5.065 -0.371 2
1 529 . 1 1 A 44 44 THR C C 44 172.706 172.622 0.084 2
1 530 . 1 1 A 44 44 THR CA C 44 60.957 61.188 -0.231 2
1 531 . 1 1 A 44 44 THR CB C 44 72.616 71.642 0.974 2
1 533 . 1 1 A 44 44 THR N N 44 114.918 115.509 -0.591 2
1 534 . 1 1 A 45 45 TYR H H 45 8.553 9.058 -0.505 2
1 535 . 1 1 A 45 45 TYR HA H 45 5.002 5.026 -0.024 2
1 540 . 1 1 A 45 45 TYR C C 45 173.745 174.001 -0.256 2
1 541 . 1 1 A 45 45 TYR CA C 45 57.249 57.170 0.079 2
1 542 . 1 1 A 45 45 TYR CB C 45 41.719 41.056 0.663 2
1 545 . 1 1 A 45 45 TYR N N 45 121.490 127.314 -5.824 2
1 546 . 1 1 A 46 46 LYS H H 46 7.348 8.126 -0.778 2
1 547 . 1 1 A 46 46 LYS HA H 46 4.222 4.683 -0.461 2
1 554 . 1 1 A 46 46 LYS C C 46 175.715 175.324 0.391 2
1 555 . 1 1 A 46 46 LYS CA C 46 53.576 54.437 -0.861 2
1 556 . 1 1 A 46 46 LYS CB C 46 33.582 34.745 -1.163 2
1 560 . 1 1 A 46 46 LYS N N 46 129.620 126.556 3.064 2
1 561 . 1 1 A 47 47 ASP H H 47 8.578 8.704 -0.125 2
1 562 . 1 1 A 47 47 ASP HA H 47 4.126 4.676 -0.550 2
1 565 . 1 1 A 47 47 ASP C C 47 179.207 176.620 2.586 2
1 566 . 1 1 A 47 47 ASP CA C 47 57.191 53.895 3.296 2
1 567 . 1 1 A 47 47 ASP CB C 47 41.969 40.835 1.134 2
1 568 . 1 1 A 47 47 ASP N N 47 125.757 125.729 0.028 2
1 569 . 1 1 A 48 48 GLU H H 48 9.445 8.011 1.434 2
1 570 . 1 1 A 48 48 GLU HA H 48 3.918 4.258 -0.340 2
1 575 . 1 1 A 48 48 GLU C C 48 177.578 176.992 0.586 2
1 576 . 1 1 A 48 48 GLU CA C 48 60.066 57.811 2.255 2
1 577 . 1 1 A 48 48 GLU CB C 48 29.343 30.820 -1.477 2
1 579 . 1 1 A 48 48 GLU N N 48 117.612 119.563 -1.951 2
1 580 . 1 1 A 49 49 THR H H 49 6.624 7.606 -0.982 2
1 581 . 1 1 A 49 49 THR HA H 49 4.414 4.507 -0.093 2
1 586 . 1 1 A 49 49 THR C C 49 175.232 173.848 1.384 2
1 587 . 1 1 A 49 49 THR CA C 49 59.873 60.842 -0.969 2
1 588 . 1 1 A 49 49 THR CB C 49 69.188 69.637 -0.449 2
1 590 . 1 1 A 49 49 THR N N 49 103.078 110.031 -6.953 2
1 591 . 1 1 A 50 50 LYS H H 50 7.828 7.838 -0.010 2
1 592 . 1 1 A 50 50 LYS HA H 50 4.139 4.121 0.018 2
1 597 . 1 1 A 50 50 LYS C C 50 174.786 174.984 -0.198 2
1 598 . 1 1 A 50 50 LYS CA C 50 55.981 56.817 -0.836 2
1 599 . 1 1 A 50 50 LYS CB C 50 29.258 30.213 -0.955 2
1 602 . 1 1 A 50 50 LYS N N 50 123.628 116.897 6.731 2
1 603 . 1 1 A 51 51 THR H H 51 7.216 7.265 -0.049 2
1 604 . 1 1 A 51 51 THR HA H 51 5.433 5.296 0.137 2
1 609 . 1 1 A 51 51 THR C C 51 174.574 173.219 1.355 2
1 610 . 1 1 A 51 51 THR CA C 51 62.224 61.454 0.770 2
1 611 . 1 1 A 51 51 THR CB C 51 72.346 71.800 0.546 2
1 613 . 1 1 A 51 51 THR N N 51 110.763 113.514 -2.751 2
1 614 . 1 1 A 52 52 PHE H H 52 10.222 9.600 0.622 2
1 615 . 1 1 A 52 52 PHE HA H 52 5.447 5.442 0.005 2
1 622 . 1 1 A 52 52 PHE C C 52 174.401 175.277 -0.876 2
1 623 . 1 1 A 52 52 PHE CA C 52 57.269 57.125 0.144 2
1 624 . 1 1 A 52 52 PHE CB C 52 42.143 41.792 0.350 2
1 629 . 1 1 A 52 52 PHE N N 52 130.993 125.489 5.504 2
1 630 . 1 1 A 53 53 THR H H 53 9.099 9.020 0.079 2
1 631 . 1 1 A 53 53 THR HA H 53 5.108 5.027 0.081 2
1 636 . 1 1 A 53 53 THR C C 53 172.565 172.594 -0.029 2
1 637 . 1 1 A 53 53 THR CA C 53 61.737 61.366 0.371 2
1 638 . 1 1 A 53 53 THR CB C 53 70.663 71.117 -0.454 2
1 640 . 1 1 A 53 53 THR N N 53 117.968 115.573 2.395 2
1 641 . 1 1 A 54 54 VAL H H 54 8.496 8.632 -0.136 2
1 642 . 1 1 A 54 54 VAL HA H 54 4.410 5.145 -0.735 2
1 650 . 1 1 A 54 54 VAL C C 54 173.790 173.485 0.305 2
1 651 . 1 1 A 54 54 VAL CA C 54 59.103 59.735 -0.632 2
1 652 . 1 1 A 54 54 VAL CB C 54 32.651 34.502 -1.851 2
1 655 . 1 1 A 54 54 VAL N N 54 125.071 126.323 -1.252 2
1 656 . 1 1 A 55 55 THR H H 55 8.265 8.470 -0.205 2
1 657 . 1 1 A 55 55 THR HA H 55 4.792 4.933 -0.141 2
1 662 . 1 1 A 55 55 THR C C 55 173.789 172.304 1.485 2
1 663 . 1 1 A 55 55 THR CA C 55 61.035 59.907 1.128 2
1 664 . 1 1 A 55 55 THR CB C 55 71.261 71.341 -0.080 2
1 666 . 1 1 A 55 55 THR N N 55 122.202 120.801 1.401 2
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