data_16117_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16117
_Entry.PDB_ID 2KDM
_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 9 . 1 1 1 A 2 2 THR H H 2 8.931 8.894 0.037 1
1 10 . 1 1 1 A 2 2 THR HA H 2 4.504 5.467 -0.963 1
1 15 . 1 1 1 A 2 2 THR C C 2 172.828 173.169 -0.341 1
1 16 . 1 1 1 A 2 2 THR CA C 2 63.506 59.393 4.113 1
1 17 . 1 1 1 A 2 2 THR CB C 2 68.833 71.365 -2.532 1
1 19 . 1 1 1 A 2 2 THR N N 2 124.414 114.964 9.450 1
1 20 . 1 1 1 A 3 3 TYR H H 3 9.041 9.150 -0.109 1
1 21 . 1 1 1 A 3 3 TYR HA H 3 5.453 5.607 -0.154 1
1 26 . 1 1 1 A 3 3 TYR C C 3 174.672 175.438 -0.766 1
1 27 . 1 1 1 A 3 3 TYR CA C 3 57.886 56.295 1.591 1
1 28 . 1 1 1 A 3 3 TYR CB C 3 42.295 42.955 -0.660 1
1 31 . 1 1 1 A 3 3 TYR N N 3 127.469 120.419 7.050 1
1 32 . 1 1 1 A 4 4 LYS H H 4 9.046 8.821 0.225 1
1 33 . 1 1 1 A 4 4 LYS HA H 4 5.547 5.598 -0.051 1
1 40 . 1 1 1 A 4 4 LYS C C 4 173.092 175.070 -1.978 1
1 41 . 1 1 1 A 4 4 LYS CA C 4 55.112 54.887 0.225 1
1 42 . 1 1 1 A 4 4 LYS CB C 4 35.889 36.456 -0.567 1
1 46 . 1 1 1 A 4 4 LYS N N 4 121.164 121.278 -0.114 1
1 47 . 1 1 1 A 5 5 LEU H H 5 9.017 9.219 -0.202 1
1 48 . 1 1 1 A 5 5 LEU HA H 5 5.095 5.754 -0.659 1
1 58 . 1 1 1 A 5 5 LEU C C 5 174.914 174.366 0.548 1
1 59 . 1 1 1 A 5 5 LEU CA C 5 52.648 53.813 -1.165 1
1 60 . 1 1 1 A 5 5 LEU CB C 5 43.729 45.275 -1.546 1
1 63 . 1 1 1 A 5 5 LEU N N 5 126.371 124.388 1.983 1
1 64 . 1 1 1 A 6 6 ILE H H 6 9.129 8.965 0.164 1
1 65 . 1 1 1 A 6 6 ILE HA H 6 4.502 4.617 -0.115 1
1 70 . 1 1 1 A 6 6 ILE C C 6 174.654 174.428 0.226 1
1 71 . 1 1 1 A 6 6 ILE CA C 6 60.366 60.308 0.058 1
1 72 . 1 1 1 A 6 6 ILE CB C 6 38.760 38.358 0.402 1
1 76 . 1 1 1 A 6 6 ILE N N 6 126.264 127.068 -0.804 1
1 77 . 1 1 1 A 7 7 LEU H H 7 8.956 9.250 -0.294 1
1 78 . 1 1 1 A 7 7 LEU HA H 7 4.570 4.893 -0.323 1
1 84 . 1 1 1 A 7 7 LEU C C 7 174.493 175.118 -0.625 1
1 85 . 1 1 1 A 7 7 LEU CA C 7 53.644 53.782 -0.138 1
1 86 . 1 1 1 A 7 7 LEU CB C 7 41.339 42.886 -1.547 1
1 89 . 1 1 1 A 7 7 LEU N N 7 126.422 128.517 -2.095 1
1 90 . 1 1 1 A 8 8 ASN H H 8 9.065 8.760 0.305 1
1 91 . 1 1 1 A 8 8 ASN HA H 8 5.181 5.312 -0.131 1
1 96 . 1 1 1 A 8 8 ASN C C 8 174.434 174.073 0.361 1
1 97 . 1 1 1 A 8 8 ASN CA C 8 51.851 52.022 -0.171 1
1 98 . 1 1 1 A 8 8 ASN CB C 8 37.869 40.656 -2.787 1
1 99 . 1 1 1 A 8 8 ASN N N 8 125.633 124.316 1.317 1
1 101 . 1 1 1 A 9 9 LEU H H 9 7.720 8.452 -0.732 1
1 102 . 1 1 1 A 9 9 LEU HA H 9 4.754 4.733 0.021 1
1 109 . 1 1 1 A 9 9 LEU C C 9 177.207 178.286 -1.079 1
1 110 . 1 1 1 A 9 9 LEU CA C 9 53.431 52.529 0.902 1
1 111 . 1 1 1 A 9 9 LEU CB C 9 41.451 43.913 -2.462 1
1 114 . 1 1 1 A 9 9 LEU N N 9 121.516 123.768 -2.252 1
1 115 . 1 1 1 A 10 10 LYS H H 10 9.251 8.934 0.317 1
1 116 . 1 1 1 A 10 10 LYS HA H 10 4.034 4.105 -0.071 1
1 123 . 1 1 1 A 10 10 LYS C C 10 179.205 177.083 2.122 1
1 124 . 1 1 1 A 10 10 LYS CA C 10 59.720 59.132 0.588 1
1 125 . 1 1 1 A 10 10 LYS CB C 10 31.834 32.131 -0.297 1
1 128 . 1 1 1 A 10 10 LYS N N 10 120.915 117.620 3.295 1
1 129 . 1 1 1 A 11 11 GLN H H 11 8.566 7.892 0.674 1
1 130 . 1 1 1 A 11 11 GLN HA H 11 4.447 4.626 -0.179 1
1 137 . 1 1 1 A 11 11 GLN C C 11 175.378 174.257 1.121 1
1 138 . 1 1 1 A 11 11 GLN CA C 11 56.019 54.907 1.112 1
1 139 . 1 1 1 A 11 11 GLN CB C 11 29.175 29.510 -0.335 1
1 141 . 1 1 1 A 11 11 GLN N N 11 113.391 117.621 -4.230 1
1 143 . 1 1 1 A 12 12 ALA H H 12 7.186 8.182 -0.996 1
1 144 . 1 1 1 A 12 12 ALA HA H 12 4.506 4.785 -0.279 1
1 148 . 1 1 1 A 12 12 ALA C C 12 174.369 175.109 -0.740 1
1 149 . 1 1 1 A 12 12 ALA CA C 12 52.485 51.468 1.017 1
1 150 . 1 1 1 A 12 12 ALA CB C 12 21.424 22.288 -0.864 1
1 151 . 1 1 1 A 12 12 ALA N N 12 120.106 124.655 -4.549 1
1 152 . 1 1 1 A 13 13 LYS H H 13 8.298 8.739 -0.441 1
1 153 . 1 1 1 A 13 13 LYS HA H 13 5.392 5.281 0.111 1
1 158 . 1 1 1 A 13 13 LYS C C 13 176.285 174.525 1.760 1
1 159 . 1 1 1 A 13 13 LYS CA C 13 55.138 55.114 0.024 1
1 160 . 1 1 1 A 13 13 LYS CB C 13 33.656 35.496 -1.840 1
1 164 . 1 1 1 A 13 13 LYS N N 13 120.804 122.430 -1.626 1
1 165 . 1 1 1 A 14 14 GLU H H 14 8.640 8.637 0.003 1
1 166 . 1 1 1 A 14 14 GLU HA H 14 4.879 4.872 0.007 1
1 171 . 1 1 1 A 14 14 GLU C C 14 174.032 174.854 -0.822 1
1 172 . 1 1 1 A 14 14 GLU CA C 14 54.909 54.808 0.101 1
1 173 . 1 1 1 A 14 14 GLU CB C 14 34.407 33.401 1.006 1
1 175 . 1 1 1 A 14 14 GLU N N 14 123.450 127.470 -4.020 1
1 176 . 1 1 1 A 15 15 GLU H H 15 8.642 8.641 0.001 1
1 177 . 1 1 1 A 15 15 GLU HA H 15 5.631 5.216 0.415 1
1 182 . 1 1 1 A 15 15 GLU C C 15 175.503 175.375 0.128 1
1 183 . 1 1 1 A 15 15 GLU CA C 15 54.638 54.765 -0.127 1
1 184 . 1 1 1 A 15 15 GLU CB C 15 34.147 32.608 1.539 1
1 186 . 1 1 1 A 15 15 GLU N N 15 120.056 122.721 -2.665 1
1 187 . 1 1 1 A 16 16 ALA H H 16 9.166 9.032 0.134 1
1 188 . 1 1 1 A 16 16 ALA HA H 16 4.981 5.581 -0.600 1
1 192 . 1 1 1 A 16 16 ALA C C 16 175.027 176.348 -1.321 1
1 193 . 1 1 1 A 16 16 ALA CA C 16 51.324 49.884 1.440 1
1 194 . 1 1 1 A 16 16 ALA CB C 16 22.552 22.337 0.215 1
1 195 . 1 1 1 A 16 16 ALA N N 16 124.648 126.191 -1.543 1
1 196 . 1 1 1 A 17 17 ILE H H 17 8.645 9.122 -0.477 1
1 197 . 1 1 1 A 17 17 ILE HA H 17 5.672 5.877 -0.205 1
1 207 . 1 1 1 A 17 17 ILE C C 17 175.737 174.625 1.112 1
1 208 . 1 1 1 A 17 17 ILE CA C 17 59.733 59.062 0.671 1
1 209 . 1 1 1 A 17 17 ILE CB C 17 42.219 42.794 -0.575 1
1 213 . 1 1 1 A 17 17 ILE N N 17 116.684 117.425 -0.741 1
1 214 . 1 1 1 A 18 18 LYS H H 18 9.243 8.522 0.721 1
1 215 . 1 1 1 A 18 18 LYS HA H 18 4.548 4.629 -0.081 1
1 222 . 1 1 1 A 18 18 LYS C C 18 174.039 173.739 0.300 1
1 223 . 1 1 1 A 18 18 LYS CA C 18 54.956 55.887 -0.931 1
1 224 . 1 1 1 A 18 18 LYS CB C 18 37.101 36.323 0.778 1
1 228 . 1 1 1 A 18 18 LYS N N 18 123.578 122.073 1.505 1
1 229 . 1 1 1 A 19 19 GLU H H 19 8.812 8.766 0.046 1
1 230 . 1 1 1 A 19 19 GLU HA H 19 5.184 5.099 0.085 1
1 233 . 1 1 1 A 19 19 GLU C C 19 175.912 175.420 0.492 1
1 234 . 1 1 1 A 19 19 GLU CA C 19 55.340 55.513 -0.173 1
1 235 . 1 1 1 A 19 19 GLU CB C 19 29.224 30.696 -1.472 1
1 237 . 1 1 1 A 19 19 GLU N N 19 129.720 123.970 5.750 1
1 238 . 1 1 1 A 20 20 ALA H H 20 9.425 9.232 0.193 1
1 239 . 1 1 1 A 20 20 ALA HA H 20 4.935 4.937 -0.002 1
1 243 . 1 1 1 A 20 20 ALA C C 20 177.376 176.883 0.493 1
1 244 . 1 1 1 A 20 20 ALA CA C 20 51.128 50.839 0.289 1
1 245 . 1 1 1 A 20 20 ALA CB C 20 23.405 23.891 -0.486 1
1 246 . 1 1 1 A 20 20 ALA N N 20 127.622 125.809 1.813 1
1 247 . 1 1 1 A 21 21 VAL H H 21 8.620 8.626 -0.006 1
1 248 . 1 1 1 A 21 21 VAL HA H 21 4.262 4.315 -0.053 1
1 253 . 1 1 1 A 21 21 VAL C C 21 175.539 174.922 0.617 1
1 254 . 1 1 1 A 21 21 VAL CA C 21 63.598 61.232 2.366 1
1 255 . 1 1 1 A 21 21 VAL CB C 21 31.839 31.721 0.118 1
1 257 . 1 1 1 A 21 21 VAL N N 21 115.529 115.588 -0.059 1
1 258 . 1 1 1 A 22 22 ASP H H 22 7.405 7.734 -0.329 1
1 259 . 1 1 1 A 22 22 ASP HA H 22 4.946 4.951 -0.005 1
1 262 . 1 1 1 A 22 22 ASP C C 22 174.734 174.650 0.084 1
1 263 . 1 1 1 A 22 22 ASP CA C 22 52.601 53.311 -0.710 1
1 264 . 1 1 1 A 22 22 ASP CB C 22 42.748 43.953 -1.205 1
1 265 . 1 1 1 A 22 22 ASP N N 22 115.513 120.141 -4.628 1
1 266 . 1 1 1 A 23 23 ALA H H 23 8.614 8.639 -0.025 1
1 267 . 1 1 1 A 23 23 ALA HA H 23 3.294 3.649 -0.355 1
1 271 . 1 1 1 A 23 23 ALA C C 23 179.849 179.082 0.767 1
1 272 . 1 1 1 A 23 23 ALA CA C 23 54.858 53.571 1.287 1
1 273 . 1 1 1 A 23 23 ALA CB C 23 17.424 19.553 -2.129 1
1 274 . 1 1 1 A 23 23 ALA N N 23 121.829 123.367 -1.538 1
1 275 . 1 1 1 A 24 24 GLY H H 24 8.555 8.413 0.142 1
1 276 . 1 1 1 A 24 24 GLY HA2 H 24 3.851 3.793 0.058 1
1 277 . 1 1 1 A 24 24 GLY HA3 H 24 3.851 3.818 0.033 1
1 278 . 1 1 1 A 24 24 GLY C C 24 177.142 176.524 0.618 1
1 279 . 1 1 1 A 24 24 GLY CA C 24 46.839 46.851 -0.012 1
1 280 . 1 1 1 A 24 24 GLY N N 24 106.435 106.476 -0.041 1
1 281 . 1 1 1 A 25 25 THR H H 25 8.241 7.907 0.334 1
1 282 . 1 1 1 A 25 25 THR HA H 25 4.063 4.056 0.007 1
1 287 . 1 1 1 A 25 25 THR C C 25 177.054 175.947 1.107 1
1 288 . 1 1 1 A 25 25 THR CA C 25 66.635 65.270 1.365 1
1 289 . 1 1 1 A 25 25 THR CB C 25 68.068 68.622 -0.554 1
1 291 . 1 1 1 A 25 25 THR N N 25 119.981 117.595 2.386 1
1 292 . 1 1 1 A 26 26 ALA H H 26 7.100 7.895 -0.795 1
1 293 . 1 1 1 A 26 26 ALA HA H 26 3.364 3.740 -0.376 1
1 297 . 1 1 1 A 26 26 ALA C C 26 177.098 178.974 -1.876 1
1 298 . 1 1 1 A 26 26 ALA CA C 26 55.502 54.658 0.844 1
1 299 . 1 1 1 A 26 26 ALA CB C 26 17.127 17.432 -0.305 1
1 300 . 1 1 1 A 26 26 ALA N N 26 124.535 123.673 0.862 1
1 301 . 1 1 1 A 27 27 GLU H H 27 8.739 8.501 0.238 1
1 302 . 1 1 1 A 27 27 GLU HA H 27 2.941 3.769 -0.828 1
1 307 . 1 1 1 A 27 27 GLU C C 27 177.368 178.543 -1.175 1
1 308 . 1 1 1 A 27 27 GLU CA C 27 60.190 59.442 0.748 1
1 309 . 1 1 1 A 27 27 GLU CB C 27 29.225 28.931 0.294 1
1 311 . 1 1 1 A 27 27 GLU N N 27 118.116 118.395 -0.279 1
1 312 . 1 1 1 A 28 28 LYS H H 28 7.333 7.549 -0.216 1
1 313 . 1 1 1 A 28 28 LYS HA H 28 3.764 4.051 -0.287 1
1 320 . 1 1 1 A 28 28 LYS C C 28 178.993 178.470 0.523 1
1 321 . 1 1 1 A 28 28 LYS CA C 28 59.881 58.816 1.065 1
1 322 . 1 1 1 A 28 28 LYS CB C 28 32.382 32.031 0.351 1
1 324 . 1 1 1 A 28 28 LYS N N 28 116.088 118.295 -2.207 1
1 325 . 1 1 1 A 29 29 TYR H H 29 7.016 7.884 -0.868 1
1 326 . 1 1 1 A 29 29 TYR HA H 29 4.273 4.280 -0.007 1
1 333 . 1 1 1 A 29 29 TYR C C 29 177.581 177.660 -0.079 1
1 334 . 1 1 1 A 29 29 TYR CA C 29 61.050 61.356 -0.306 1
1 335 . 1 1 1 A 29 29 TYR CB C 29 37.860 38.400 -0.540 1
1 340 . 1 1 1 A 29 29 TYR N N 29 119.155 121.908 -2.753 1
1 341 . 1 1 1 A 30 30 PHE H H 30 8.775 8.674 0.101 1
1 342 . 1 1 1 A 30 30 PHE HA H 30 4.619 4.117 0.502 1
1 349 . 1 1 1 A 30 30 PHE C C 30 178.612 177.868 0.744 1
1 350 . 1 1 1 A 30 30 PHE CA C 30 57.312 62.269 -4.957 1
1 351 . 1 1 1 A 30 30 PHE CB C 30 37.667 38.548 -0.881 1
1 356 . 1 1 1 A 30 30 PHE N N 30 118.969 118.945 0.024 1
1 357 . 1 1 1 A 31 31 LYS H H 31 8.977 8.971 0.006 1
1 358 . 1 1 1 A 31 31 LYS HA H 31 4.141 4.341 -0.200 1
1 363 . 1 1 1 A 31 31 LYS C C 31 178.781 179.056 -0.275 1
1 364 . 1 1 1 A 31 31 LYS CA C 31 59.878 59.735 0.143 1
1 365 . 1 1 1 A 31 31 LYS CB C 31 31.707 32.340 -0.633 1
1 367 . 1 1 1 A 31 31 LYS N N 31 121.474 120.553 0.921 1
1 368 . 1 1 1 A 32 32 LEU H H 32 7.215 7.769 -0.554 1
1 369 . 1 1 1 A 32 32 LEU HA H 32 4.179 4.055 0.124 1
1 376 . 1 1 1 A 32 32 LEU C C 32 180.639 179.382 1.257 1
1 377 . 1 1 1 A 32 32 LEU CA C 32 57.933 57.798 0.135 1
1 378 . 1 1 1 A 32 32 LEU CB C 32 41.283 41.591 -0.308 1
1 381 . 1 1 1 A 32 32 LEU N N 32 118.836 119.187 -0.351 1
1 382 . 1 1 1 A 33 33 ILE H H 33 7.397 7.520 -0.123 1
1 383 . 1 1 1 A 33 33 ILE HA H 33 3.896 3.866 0.030 1
1 388 . 1 1 1 A 33 33 ILE C C 33 178.546 177.825 0.721 1
1 389 . 1 1 1 A 33 33 ILE CA C 33 63.892 63.673 0.219 1
1 390 . 1 1 1 A 33 33 ILE CB C 33 37.582 37.999 -0.417 1
1 393 . 1 1 1 A 33 33 ILE N N 33 118.838 119.780 -0.942 1
1 394 . 1 1 1 A 34 34 ALA H H 34 8.593 9.019 -0.426 1
1 395 . 1 1 1 A 34 34 ALA HA H 34 3.984 3.987 -0.003 1
1 399 . 1 1 1 A 34 34 ALA C C 34 179.571 180.370 -0.799 1
1 400 . 1 1 1 A 34 34 ALA CA C 34 55.141 55.694 -0.553 1
1 401 . 1 1 1 A 34 34 ALA CB C 34 18.671 18.495 0.176 1
1 402 . 1 1 1 A 34 34 ALA N N 34 121.471 124.156 -2.685 1
1 403 . 1 1 1 A 35 35 ASN H H 35 8.503 8.329 0.174 1
1 404 . 1 1 1 A 35 35 ASN HA H 35 4.707 4.869 -0.162 1
1 409 . 1 1 1 A 35 35 ASN C C 35 177.434 177.720 -0.286 1
1 410 . 1 1 1 A 35 35 ASN CA C 35 55.732 55.897 -0.165 1
1 411 . 1 1 1 A 35 35 ASN CB C 35 38.224 38.084 0.140 1
1 412 . 1 1 1 A 35 35 ASN N N 35 116.283 116.382 -0.099 1
1 414 . 1 1 1 A 36 36 ALA H H 36 7.610 7.313 0.297 1
1 415 . 1 1 1 A 36 36 ALA HA H 36 4.363 4.021 0.342 1
1 419 . 1 1 1 A 36 36 ALA C C 36 178.715 178.297 0.418 1
1 420 . 1 1 1 A 36 36 ALA CA C 36 54.004 54.472 -0.468 1
1 421 . 1 1 1 A 36 36 ALA CB C 36 19.224 18.348 0.876 1
1 422 . 1 1 1 A 36 36 ALA N N 36 120.620 122.557 -1.937 1
1 423 . 1 1 1 A 37 37 LYS H H 37 7.673 7.679 -0.006 1
1 424 . 1 1 1 A 37 37 LYS HA H 37 4.436 4.306 0.130 1
1 431 . 1 1 1 A 37 37 LYS C C 37 175.876 176.441 -0.565 1
1 432 . 1 1 1 A 37 37 LYS CA C 37 56.284 56.726 -0.442 1
1 433 . 1 1 1 A 37 37 LYS CB C 37 34.026 34.321 -0.295 1
1 437 . 1 1 1 A 37 37 LYS N N 37 116.344 114.844 1.500 1
1 438 . 1 1 1 A 38 38 THR H H 38 8.122 8.704 -0.582 1
1 439 . 1 1 1 A 38 38 THR HA H 38 4.409 4.789 -0.380 1
1 444 . 1 1 1 A 38 38 THR C C 38 172.766 173.898 -1.132 1
1 445 . 1 1 1 A 38 38 THR CA C 38 61.468 60.485 0.983 1
1 446 . 1 1 1 A 38 38 THR CB C 38 69.124 72.308 -3.184 1
1 448 . 1 1 1 A 38 38 THR N N 38 113.585 110.725 2.860 1
1 449 . 1 1 1 A 39 39 VAL H H 39 8.254 8.616 -0.362 1
1 450 . 1 1 1 A 39 39 VAL HA H 39 4.399 4.510 -0.111 1
1 455 . 1 1 1 A 39 39 VAL C C 39 176.183 175.087 1.096 1
1 456 . 1 1 1 A 39 39 VAL CA C 39 62.431 60.954 1.477 1
1 457 . 1 1 1 A 39 39 VAL CB C 39 32.795 32.153 0.642 1
1 459 . 1 1 1 A 39 39 VAL N N 39 120.756 117.173 3.583 1
1 460 . 1 1 1 A 40 40 GLU H H 40 8.732 7.738 0.994 1
1 461 . 1 1 1 A 40 40 GLU HA H 40 4.711 4.723 -0.012 1
1 464 . 1 1 1 A 40 40 GLU C C 40 175.571 175.158 0.413 1
1 465 . 1 1 1 A 40 40 GLU CA C 40 55.569 56.240 -0.671 1
1 466 . 1 1 1 A 40 40 GLU CB C 40 30.469 32.867 -2.398 1
1 468 . 1 1 1 A 40 40 GLU N N 40 124.791 121.636 3.155 1
1 469 . 1 1 1 A 41 41 GLY H H 41 8.145 8.448 -0.303 1
1 470 . 1 1 1 A 41 41 GLY HA2 H 41 4.236 4.175 0.061 1
1 471 . 1 1 1 A 41 41 GLY HA3 H 41 3.589 4.201 -0.612 1
1 472 . 1 1 1 A 41 41 GLY C C 41 172.517 171.703 0.814 1
1 473 . 1 1 1 A 41 41 GLY CA C 41 45.203 45.466 -0.263 1
1 474 . 1 1 1 A 41 41 GLY N N 41 107.758 111.854 -4.096 1
1 475 . 1 1 1 A 42 42 VAL H H 42 8.490 8.673 -0.183 1
1 476 . 1 1 1 A 42 42 VAL HA H 42 4.525 4.712 -0.187 1
1 481 . 1 1 1 A 42 42 VAL C C 42 176.739 176.082 0.657 1
1 482 . 1 1 1 A 42 42 VAL CA C 42 62.354 62.008 0.346 1
1 483 . 1 1 1 A 42 42 VAL CB C 42 33.355 32.420 0.935 1
1 485 . 1 1 1 A 42 42 VAL N N 42 121.959 120.063 1.896 1
1 486 . 1 1 1 A 43 43 TRP H H 43 9.465 9.068 0.397 1
1 487 . 1 1 1 A 43 43 TRP HA H 43 5.375 5.207 0.168 1
1 495 . 1 1 1 A 43 43 TRP C C 43 177.127 176.538 0.589 1
1 496 . 1 1 1 A 43 43 TRP CA C 43 58.056 57.889 0.167 1
1 497 . 1 1 1 A 43 43 TRP CB C 43 29.740 29.817 -0.077 1
1 502 . 1 1 1 A 43 43 TRP N N 43 130.804 129.193 1.611 1
1 504 . 1 1 1 A 44 44 THR H H 44 9.380 9.008 0.372 1
1 505 . 1 1 1 A 44 44 THR HA H 44 4.908 5.450 -0.542 1
1 510 . 1 1 1 A 44 44 THR C C 44 172.803 172.667 0.136 1
1 511 . 1 1 1 A 44 44 THR CA C 44 61.075 60.281 0.794 1
1 512 . 1 1 1 A 44 44 THR CB C 44 72.681 72.907 -0.226 1
1 514 . 1 1 1 A 44 44 THR N N 44 115.117 114.322 0.795 1
1 515 . 1 1 1 A 45 45 TYR H H 45 8.773 8.952 -0.179 1
1 516 . 1 1 1 A 45 45 TYR HA H 45 5.143 5.572 -0.429 1
1 521 . 1 1 1 A 45 45 TYR C C 45 174.047 173.939 0.108 1
1 522 . 1 1 1 A 45 45 TYR CA C 45 57.154 57.566 -0.412 1
1 523 . 1 1 1 A 45 45 TYR CB C 45 41.212 42.097 -0.885 1
1 526 . 1 1 1 A 45 45 TYR N N 45 121.946 122.566 -0.620 1
1 527 . 1 1 1 A 46 46 LYS H H 46 7.505 8.936 -1.431 1
1 528 . 1 1 1 A 46 46 LYS HA H 46 4.457 4.539 -0.082 1
1 533 . 1 1 1 A 46 46 LYS C C 46 175.444 174.333 1.111 1
1 534 . 1 1 1 A 46 46 LYS CA C 46 53.992 55.041 -1.049 1
1 535 . 1 1 1 A 46 46 LYS CB C 46 33.875 33.776 0.099 1
1 539 . 1 1 1 A 46 46 LYS N N 46 128.658 126.553 2.105 1
1 540 . 1 1 1 A 47 47 ASP H H 47 8.807 8.642 0.165 1
1 541 . 1 1 1 A 47 47 ASP HA H 47 4.135 4.723 -0.588 1
1 544 . 1 1 1 A 47 47 ASP C C 47 179.380 175.666 3.714 1
1 545 . 1 1 1 A 47 47 ASP CA C 47 57.464 53.136 4.328 1
1 546 . 1 1 1 A 47 47 ASP CB C 47 42.288 41.456 0.832 1
1 547 . 1 1 1 A 47 47 ASP N N 47 126.643 124.713 1.930 1
1 548 . 1 1 1 A 48 48 GLU H H 48 9.909 8.511 1.398 1
1 549 . 1 1 1 A 48 48 GLU HA H 48 4.172 4.391 -0.219 1
1 554 . 1 1 1 A 48 48 GLU C C 48 177.317 176.021 1.296 1
1 555 . 1 1 1 A 48 48 GLU CA C 48 59.979 56.934 3.045 1
1 556 . 1 1 1 A 48 48 GLU CB C 48 28.699 31.137 -2.438 1
1 558 . 1 1 1 A 48 48 GLU N N 48 118.400 122.377 -3.977 1
1 559 . 1 1 1 A 49 49 ILE H H 49 6.510 7.847 -1.337 1
1 560 . 1 1 1 A 49 49 ILE HA H 49 4.697 4.321 0.376 1
1 568 . 1 1 1 A 49 49 ILE C C 49 175.868 175.180 0.688 1
1 569 . 1 1 1 A 49 49 ILE CA C 49 60.318 59.823 0.495 1
1 570 . 1 1 1 A 49 49 ILE CB C 49 38.324 37.234 1.090 1
1 574 . 1 1 1 A 49 49 ILE N N 49 105.782 116.142 -10.360 1
1 575 . 1 1 1 A 50 50 LYS H H 50 7.991 7.771 0.220 1
1 576 . 1 1 1 A 50 50 LYS HA H 50 4.336 4.095 0.241 1
1 581 . 1 1 1 A 50 50 LYS C C 50 174.829 175.545 -0.716 1
1 582 . 1 1 1 A 50 50 LYS CA C 50 55.959 56.539 -0.580 1
1 583 . 1 1 1 A 50 50 LYS CB C 50 29.232 30.861 -1.629 1
1 585 . 1 1 1 A 50 50 LYS N N 50 124.329 117.222 7.107 1
1 586 . 1 1 1 A 51 51 THR H H 51 7.174 6.965 0.209 1
1 587 . 1 1 1 A 51 51 THR HA H 51 5.774 5.314 0.460 1
1 592 . 1 1 1 A 51 51 THR C C 51 173.893 172.628 1.265 1
1 593 . 1 1 1 A 51 51 THR CA C 51 62.217 59.936 2.281 1
1 594 . 1 1 1 A 51 51 THR CB C 51 73.248 72.457 0.791 1
1 596 . 1 1 1 A 51 51 THR N N 51 109.849 110.827 -0.978 1
1 597 . 1 1 1 A 52 52 PHE H H 52 10.338 9.486 0.852 1
1 598 . 1 1 1 A 52 52 PHE HA H 52 5.693 5.924 -0.231 1
1 605 . 1 1 1 A 52 52 PHE C C 52 174.361 175.028 -0.667 1
1 606 . 1 1 1 A 52 52 PHE CA C 52 57.260 56.111 1.149 1
1 607 . 1 1 1 A 52 52 PHE CB C 52 42.130 43.739 -1.609 1
1 612 . 1 1 1 A 52 52 PHE N N 52 130.662 119.314 11.348 1
1 613 . 1 1 1 A 53 53 THR H H 53 9.262 9.494 -0.232 1
1 614 . 1 1 1 A 53 53 THR HA H 53 5.288 4.803 0.485 1
1 619 . 1 1 1 A 53 53 THR C C 53 172.678 173.280 -0.602 1
1 620 . 1 1 1 A 53 53 THR CA C 53 61.511 61.174 0.337 1
1 621 . 1 1 1 A 53 53 THR CB C 53 70.861 72.347 -1.486 1
1 623 . 1 1 1 A 53 53 THR N N 53 118.205 114.927 3.278 1
1 624 . 1 1 1 A 54 54 VAL H H 54 8.628 8.619 0.009 1
1 625 . 1 1 1 A 54 54 VAL HA H 54 4.599 4.928 -0.329 1
1 633 . 1 1 1 A 54 54 VAL C C 54 174.090 174.159 -0.069 1
1 634 . 1 1 1 A 54 54 VAL CA C 54 59.646 60.245 -0.599 1
1 635 . 1 1 1 A 54 54 VAL CB C 54 32.737 33.504 -0.767 1
1 637 . 1 1 1 A 54 54 VAL N N 54 125.183 122.600 2.583 1
1 638 . 1 1 1 A 55 55 THR H H 55 8.434 8.402 0.032 1
1 639 . 1 1 1 A 55 55 THR HA H 55 4.951 5.145 -0.194 1
1 644 . 1 1 1 A 55 55 THR C C 55 173.695 172.930 0.765 1
1 645 . 1 1 1 A 55 55 THR CA C 55 61.219 60.739 0.480 1
1 646 . 1 1 1 A 55 55 THR CB C 55 71.454 70.123 1.331 1
1 648 . 1 1 1 A 55 55 THR N N 55 122.255 119.882 2.373 1
1 9 . 2 1 1 A 2 2 THR H H 2 8.931 8.886 0.045 1
1 10 . 2 1 1 A 2 2 THR HA H 2 4.504 4.937 -0.433 1
1 15 . 2 1 1 A 2 2 THR C C 2 172.828 172.966 -0.138 1
1 16 . 2 1 1 A 2 2 THR CA C 2 63.506 61.282 2.224 1
1 17 . 2 1 1 A 2 2 THR CB C 2 68.833 70.344 -1.511 1
1 19 . 2 1 1 A 2 2 THR N N 2 124.414 121.890 2.524 1
1 20 . 2 1 1 A 3 3 TYR H H 3 9.041 9.222 -0.181 1
1 21 . 2 1 1 A 3 3 TYR HA H 3 5.453 5.614 -0.161 1
1 26 . 2 1 1 A 3 3 TYR C C 3 174.672 175.378 -0.706 1
1 27 . 2 1 1 A 3 3 TYR CA C 3 57.886 56.276 1.610 1
1 28 . 2 1 1 A 3 3 TYR CB C 3 42.295 43.420 -1.125 1
1 31 . 2 1 1 A 3 3 TYR N N 3 127.469 126.543 0.926 1
1 32 . 2 1 1 A 4 4 LYS H H 4 9.046 8.642 0.404 1
1 33 . 2 1 1 A 4 4 LYS HA H 4 5.547 5.627 -0.080 1
1 40 . 2 1 1 A 4 4 LYS C C 4 173.092 175.086 -1.994 1
1 41 . 2 1 1 A 4 4 LYS CA C 4 55.112 54.976 0.136 1
1 42 . 2 1 1 A 4 4 LYS CB C 4 35.889 36.642 -0.753 1
1 46 . 2 1 1 A 4 4 LYS N N 4 121.164 120.954 0.210 1
1 47 . 2 1 1 A 5 5 LEU H H 5 9.017 9.463 -0.446 1
1 48 . 2 1 1 A 5 5 LEU HA H 5 5.095 5.715 -0.620 1
1 58 . 2 1 1 A 5 5 LEU C C 5 174.914 174.346 0.568 1
1 59 . 2 1 1 A 5 5 LEU CA C 5 52.648 53.729 -1.081 1
1 60 . 2 1 1 A 5 5 LEU CB C 5 43.729 45.307 -1.578 1
1 63 . 2 1 1 A 5 5 LEU N N 5 126.371 123.927 2.444 1
1 64 . 2 1 1 A 6 6 ILE H H 6 9.129 9.168 -0.039 1
1 65 . 2 1 1 A 6 6 ILE HA H 6 4.502 4.628 -0.126 1
1 70 . 2 1 1 A 6 6 ILE C C 6 174.654 174.391 0.263 1
1 71 . 2 1 1 A 6 6 ILE CA C 6 60.366 60.265 0.101 1
1 72 . 2 1 1 A 6 6 ILE CB C 6 38.760 38.305 0.455 1
1 76 . 2 1 1 A 6 6 ILE N N 6 126.264 127.131 -0.867 1
1 77 . 2 1 1 A 7 7 LEU H H 7 8.956 9.110 -0.154 1
1 78 . 2 1 1 A 7 7 LEU HA H 7 4.570 4.958 -0.388 1
1 84 . 2 1 1 A 7 7 LEU C C 7 174.493 175.216 -0.723 1
1 85 . 2 1 1 A 7 7 LEU CA C 7 53.644 53.765 -0.121 1
1 86 . 2 1 1 A 7 7 LEU CB C 7 41.339 42.502 -1.163 1
1 89 . 2 1 1 A 7 7 LEU N N 7 126.422 128.524 -2.102 1
1 90 . 2 1 1 A 8 8 ASN H H 8 9.065 8.908 0.157 1
1 91 . 2 1 1 A 8 8 ASN HA H 8 5.181 5.334 -0.153 1
1 96 . 2 1 1 A 8 8 ASN C C 8 174.434 174.152 0.282 1
1 97 . 2 1 1 A 8 8 ASN CA C 8 51.851 51.981 -0.130 1
1 98 . 2 1 1 A 8 8 ASN CB C 8 37.869 40.200 -2.331 1
1 99 . 2 1 1 A 8 8 ASN N N 8 125.633 124.333 1.300 1
1 101 . 2 1 1 A 9 9 LEU H H 9 7.720 8.740 -1.020 1
1 102 . 2 1 1 A 9 9 LEU HA H 9 4.754 5.065 -0.311 1
1 109 . 2 1 1 A 9 9 LEU C C 9 177.207 175.644 1.563 1
1 110 . 2 1 1 A 9 9 LEU CA C 9 53.431 52.371 1.060 1
1 111 . 2 1 1 A 9 9 LEU CB C 9 41.451 44.984 -3.533 1
1 114 . 2 1 1 A 9 9 LEU N N 9 121.516 122.791 -1.275 1
1 115 . 2 1 1 A 10 10 LYS H H 10 9.251 8.500 0.751 1
1 116 . 2 1 1 A 10 10 LYS HA H 10 4.034 4.428 -0.394 1
1 123 . 2 1 1 A 10 10 LYS C C 10 179.205 175.424 3.781 1
1 124 . 2 1 1 A 10 10 LYS CA C 10 59.720 55.517 4.203 1
1 125 . 2 1 1 A 10 10 LYS CB C 10 31.834 30.546 1.288 1
1 128 . 2 1 1 A 10 10 LYS N N 10 120.915 119.642 1.273 1
1 129 . 2 1 1 A 11 11 GLN H H 11 8.566 8.002 0.564 1
1 130 . 2 1 1 A 11 11 GLN HA H 11 4.447 4.431 0.016 1
1 137 . 2 1 1 A 11 11 GLN C C 11 175.378 174.880 0.498 1
1 138 . 2 1 1 A 11 11 GLN CA C 11 56.019 55.722 0.297 1
1 139 . 2 1 1 A 11 11 GLN CB C 11 29.175 29.223 -0.048 1
1 141 . 2 1 1 A 11 11 GLN N N 11 113.391 123.566 -10.175 1
1 143 . 2 1 1 A 12 12 ALA H H 12 7.186 8.357 -1.171 1
1 144 . 2 1 1 A 12 12 ALA HA H 12 4.506 4.096 0.410 1
1 148 . 2 1 1 A 12 12 ALA C C 12 174.369 175.751 -1.382 1
1 149 . 2 1 1 A 12 12 ALA CA C 12 52.485 54.302 -1.817 1
1 150 . 2 1 1 A 12 12 ALA CB C 12 21.424 18.205 3.219 1
1 151 . 2 1 1 A 12 12 ALA N N 12 120.106 129.023 -8.917 1
1 152 . 2 1 1 A 13 13 LYS H H 13 8.298 8.571 -0.273 1
1 153 . 2 1 1 A 13 13 LYS HA H 13 5.392 5.074 0.318 1
1 158 . 2 1 1 A 13 13 LYS C C 13 176.285 174.722 1.563 1
1 159 . 2 1 1 A 13 13 LYS CA C 13 55.138 54.614 0.524 1
1 160 . 2 1 1 A 13 13 LYS CB C 13 33.656 35.539 -1.883 1
1 164 . 2 1 1 A 13 13 LYS N N 13 120.804 122.376 -1.572 1
1 165 . 2 1 1 A 14 14 GLU H H 14 8.640 8.615 0.025 1
1 166 . 2 1 1 A 14 14 GLU HA H 14 4.879 5.111 -0.232 1
1 171 . 2 1 1 A 14 14 GLU C C 14 174.032 174.829 -0.797 1
1 172 . 2 1 1 A 14 14 GLU CA C 14 54.909 54.377 0.532 1
1 173 . 2 1 1 A 14 14 GLU CB C 14 34.407 33.865 0.542 1
1 175 . 2 1 1 A 14 14 GLU N N 14 123.450 125.091 -1.641 1
1 176 . 2 1 1 A 15 15 GLU H H 15 8.642 8.788 -0.146 1
1 177 . 2 1 1 A 15 15 GLU HA H 15 5.631 5.157 0.474 1
1 182 . 2 1 1 A 15 15 GLU C C 15 175.503 174.997 0.506 1
1 183 . 2 1 1 A 15 15 GLU CA C 15 54.638 54.829 -0.191 1
1 184 . 2 1 1 A 15 15 GLU CB C 15 34.147 33.043 1.104 1
1 186 . 2 1 1 A 15 15 GLU N N 15 120.056 122.074 -2.018 1
1 187 . 2 1 1 A 16 16 ALA H H 16 9.166 9.083 0.083 1
1 188 . 2 1 1 A 16 16 ALA HA H 16 4.981 5.570 -0.589 1
1 192 . 2 1 1 A 16 16 ALA C C 16 175.027 175.954 -0.927 1
1 193 . 2 1 1 A 16 16 ALA CA C 16 51.324 49.833 1.491 1
1 194 . 2 1 1 A 16 16 ALA CB C 16 22.552 22.280 0.272 1
1 195 . 2 1 1 A 16 16 ALA N N 16 124.648 124.458 0.190 1
1 196 . 2 1 1 A 17 17 ILE H H 17 8.645 8.998 -0.353 1
1 197 . 2 1 1 A 17 17 ILE HA H 17 5.672 5.500 0.172 1
1 207 . 2 1 1 A 17 17 ILE C C 17 175.737 174.495 1.242 1
1 208 . 2 1 1 A 17 17 ILE CA C 17 59.733 59.116 0.617 1
1 209 . 2 1 1 A 17 17 ILE CB C 17 42.219 42.646 -0.427 1
1 213 . 2 1 1 A 17 17 ILE N N 17 116.684 117.271 -0.587 1
1 214 . 2 1 1 A 18 18 LYS H H 18 9.243 8.589 0.654 1
1 215 . 2 1 1 A 18 18 LYS HA H 18 4.548 4.685 -0.137 1
1 222 . 2 1 1 A 18 18 LYS C C 18 174.039 174.012 0.027 1
1 223 . 2 1 1 A 18 18 LYS CA C 18 54.956 55.827 -0.871 1
1 224 . 2 1 1 A 18 18 LYS CB C 18 37.101 36.613 0.488 1
1 228 . 2 1 1 A 18 18 LYS N N 18 123.578 122.150 1.428 1
1 229 . 2 1 1 A 19 19 GLU H H 19 8.812 8.602 0.210 1
1 230 . 2 1 1 A 19 19 GLU HA H 19 5.184 4.998 0.186 1
1 233 . 2 1 1 A 19 19 GLU C C 19 175.912 175.741 0.171 1
1 234 . 2 1 1 A 19 19 GLU CA C 19 55.340 55.257 0.083 1
1 235 . 2 1 1 A 19 19 GLU CB C 19 29.224 30.767 -1.543 1
1 237 . 2 1 1 A 19 19 GLU N N 19 129.720 125.458 4.262 1
1 238 . 2 1 1 A 20 20 ALA H H 20 9.425 8.767 0.658 1
1 239 . 2 1 1 A 20 20 ALA HA H 20 4.935 4.882 0.053 1
1 243 . 2 1 1 A 20 20 ALA C C 20 177.376 176.590 0.786 1
1 244 . 2 1 1 A 20 20 ALA CA C 20 51.128 50.269 0.859 1
1 245 . 2 1 1 A 20 20 ALA CB C 20 23.405 22.640 0.765 1
1 246 . 2 1 1 A 20 20 ALA N N 20 127.622 128.145 -0.523 1
1 247 . 2 1 1 A 21 21 VAL H H 21 8.620 8.620 0.000 1
1 248 . 2 1 1 A 21 21 VAL HA H 21 4.262 4.396 -0.134 1
1 253 . 2 1 1 A 21 21 VAL C C 21 175.539 174.763 0.776 1
1 254 . 2 1 1 A 21 21 VAL CA C 21 63.598 62.094 1.504 1
1 255 . 2 1 1 A 21 21 VAL CB C 21 31.839 32.014 -0.175 1
1 257 . 2 1 1 A 21 21 VAL N N 21 115.529 116.778 -1.249 1
1 258 . 2 1 1 A 22 22 ASP H H 22 7.405 7.712 -0.307 1
1 259 . 2 1 1 A 22 22 ASP HA H 22 4.946 4.926 0.020 1
1 262 . 2 1 1 A 22 22 ASP C C 22 174.734 174.485 0.249 1
1 263 . 2 1 1 A 22 22 ASP CA C 22 52.601 53.321 -0.720 1
1 264 . 2 1 1 A 22 22 ASP CB C 22 42.748 43.941 -1.193 1
1 265 . 2 1 1 A 22 22 ASP N N 22 115.513 120.751 -5.238 1
1 266 . 2 1 1 A 23 23 ALA H H 23 8.614 8.522 0.092 1
1 267 . 2 1 1 A 23 23 ALA HA H 23 3.294 3.543 -0.249 1
1 271 . 2 1 1 A 23 23 ALA C C 23 179.849 178.862 0.987 1
1 272 . 2 1 1 A 23 23 ALA CA C 23 54.858 52.823 2.035 1
1 273 . 2 1 1 A 23 23 ALA CB C 23 17.424 19.604 -2.180 1
1 274 . 2 1 1 A 23 23 ALA N N 23 121.829 122.926 -1.097 1
1 275 . 2 1 1 A 24 24 GLY H H 24 8.555 8.427 0.128 1
1 276 . 2 1 1 A 24 24 GLY HA2 H 24 3.851 3.830 0.021 1
1 277 . 2 1 1 A 24 24 GLY HA3 H 24 3.851 3.861 -0.010 1
1 278 . 2 1 1 A 24 24 GLY C C 24 177.142 176.502 0.640 1
1 279 . 2 1 1 A 24 24 GLY CA C 24 46.839 46.820 0.019 1
1 280 . 2 1 1 A 24 24 GLY N N 24 106.435 106.204 0.231 1
1 281 . 2 1 1 A 25 25 THR H H 25 8.241 7.903 0.338 1
1 282 . 2 1 1 A 25 25 THR HA H 25 4.063 4.062 0.001 1
1 287 . 2 1 1 A 25 25 THR C C 25 177.054 176.037 1.017 1
1 288 . 2 1 1 A 25 25 THR CA C 25 66.635 65.275 1.360 1
1 289 . 2 1 1 A 25 25 THR CB C 25 68.068 68.559 -0.491 1
1 291 . 2 1 1 A 25 25 THR N N 25 119.981 117.515 2.466 1
1 292 . 2 1 1 A 26 26 ALA H H 26 7.100 7.981 -0.881 1
1 293 . 2 1 1 A 26 26 ALA HA H 26 3.364 3.615 -0.251 1
1 297 . 2 1 1 A 26 26 ALA C C 26 177.098 178.763 -1.665 1
1 298 . 2 1 1 A 26 26 ALA CA C 26 55.502 54.563 0.939 1
1 299 . 2 1 1 A 26 26 ALA CB C 26 17.127 17.411 -0.284 1
1 300 . 2 1 1 A 26 26 ALA N N 26 124.535 123.703 0.832 1
1 301 . 2 1 1 A 27 27 GLU H H 27 8.739 8.066 0.673 1
1 302 . 2 1 1 A 27 27 GLU HA H 27 2.941 3.762 -0.821 1
1 307 . 2 1 1 A 27 27 GLU C C 27 177.368 178.520 -1.152 1
1 308 . 2 1 1 A 27 27 GLU CA C 27 60.190 59.412 0.778 1
1 309 . 2 1 1 A 27 27 GLU CB C 27 29.225 28.997 0.228 1
1 311 . 2 1 1 A 27 27 GLU N N 27 118.116 118.574 -0.458 1
1 312 . 2 1 1 A 28 28 LYS H H 28 7.333 7.460 -0.127 1
1 313 . 2 1 1 A 28 28 LYS HA H 28 3.764 4.045 -0.281 1
1 320 . 2 1 1 A 28 28 LYS C C 28 178.993 178.688 0.305 1
1 321 . 2 1 1 A 28 28 LYS CA C 28 59.881 58.743 1.138 1
1 322 . 2 1 1 A 28 28 LYS CB C 28 32.382 32.187 0.195 1
1 324 . 2 1 1 A 28 28 LYS N N 28 116.088 118.594 -2.506 1
1 325 . 2 1 1 A 29 29 TYR H H 29 7.016 7.994 -0.978 1
1 326 . 2 1 1 A 29 29 TYR HA H 29 4.273 4.299 -0.026 1
1 333 . 2 1 1 A 29 29 TYR C C 29 177.581 177.716 -0.135 1
1 334 . 2 1 1 A 29 29 TYR CA C 29 61.050 61.363 -0.313 1
1 335 . 2 1 1 A 29 29 TYR CB C 29 37.860 38.524 -0.664 1
1 340 . 2 1 1 A 29 29 TYR N N 29 119.155 122.507 -3.352 1
1 341 . 2 1 1 A 30 30 PHE H H 30 8.775 8.624 0.151 1
1 342 . 2 1 1 A 30 30 PHE HA H 30 4.619 4.230 0.389 1
1 349 . 2 1 1 A 30 30 PHE C C 30 178.612 177.893 0.719 1
1 350 . 2 1 1 A 30 30 PHE CA C 30 57.312 62.334 -5.022 1
1 351 . 2 1 1 A 30 30 PHE CB C 30 37.667 38.537 -0.870 1
1 356 . 2 1 1 A 30 30 PHE N N 30 118.969 118.884 0.085 1
1 357 . 2 1 1 A 31 31 LYS H H 31 8.977 9.002 -0.025 1
1 358 . 2 1 1 A 31 31 LYS HA H 31 4.141 4.311 -0.170 1
1 363 . 2 1 1 A 31 31 LYS C C 31 178.781 179.083 -0.302 1
1 364 . 2 1 1 A 31 31 LYS CA C 31 59.878 59.785 0.093 1
1 365 . 2 1 1 A 31 31 LYS CB C 31 31.707 32.394 -0.687 1
1 367 . 2 1 1 A 31 31 LYS N N 31 121.474 120.648 0.826 1
1 368 . 2 1 1 A 32 32 LEU H H 32 7.215 7.893 -0.678 1
1 369 . 2 1 1 A 32 32 LEU HA H 32 4.179 4.018 0.161 1
1 376 . 2 1 1 A 32 32 LEU C C 32 180.639 179.286 1.353 1
1 377 . 2 1 1 A 32 32 LEU CA C 32 57.933 57.937 -0.004 1
1 378 . 2 1 1 A 32 32 LEU CB C 32 41.283 41.615 -0.332 1
1 381 . 2 1 1 A 32 32 LEU N N 32 118.836 118.852 -0.016 1
1 382 . 2 1 1 A 33 33 ILE H H 33 7.397 7.542 -0.145 1
1 383 . 2 1 1 A 33 33 ILE HA H 33 3.896 3.873 0.023 1
1 388 . 2 1 1 A 33 33 ILE C C 33 178.546 177.827 0.719 1
1 389 . 2 1 1 A 33 33 ILE CA C 33 63.892 63.537 0.355 1
1 390 . 2 1 1 A 33 33 ILE CB C 33 37.582 37.608 -0.026 1
1 393 . 2 1 1 A 33 33 ILE N N 33 118.838 119.668 -0.830 1
1 394 . 2 1 1 A 34 34 ALA H H 34 8.593 8.204 0.389 1
1 395 . 2 1 1 A 34 34 ALA HA H 34 3.984 3.972 0.012 1
1 399 . 2 1 1 A 34 34 ALA C C 34 179.571 179.671 -0.100 1
1 400 . 2 1 1 A 34 34 ALA CA C 34 55.141 55.609 -0.468 1
1 401 . 2 1 1 A 34 34 ALA CB C 34 18.671 18.716 -0.045 1
1 402 . 2 1 1 A 34 34 ALA N N 34 121.471 124.237 -2.766 1
1 403 . 2 1 1 A 35 35 ASN H H 35 8.503 8.771 -0.268 1
1 404 . 2 1 1 A 35 35 ASN HA H 35 4.707 4.875 -0.168 1
1 409 . 2 1 1 A 35 35 ASN C C 35 177.434 177.357 0.077 1
1 410 . 2 1 1 A 35 35 ASN CA C 35 55.732 56.039 -0.307 1
1 411 . 2 1 1 A 35 35 ASN CB C 35 38.224 38.798 -0.574 1
1 412 . 2 1 1 A 35 35 ASN N N 35 116.283 116.826 -0.543 1
1 414 . 2 1 1 A 36 36 ALA H H 36 7.610 7.620 -0.010 1
1 415 . 2 1 1 A 36 36 ALA HA H 36 4.363 4.062 0.301 1
1 419 . 2 1 1 A 36 36 ALA C C 36 178.715 178.997 -0.282 1
1 420 . 2 1 1 A 36 36 ALA CA C 36 54.004 54.787 -0.783 1
1 421 . 2 1 1 A 36 36 ALA CB C 36 19.224 18.264 0.960 1
1 422 . 2 1 1 A 36 36 ALA N N 36 120.620 122.566 -1.946 1
1 423 . 2 1 1 A 37 37 LYS H H 37 7.673 7.635 0.038 1
1 424 . 2 1 1 A 37 37 LYS HA H 37 4.436 4.273 0.163 1
1 431 . 2 1 1 A 37 37 LYS C C 37 175.876 176.460 -0.584 1
1 432 . 2 1 1 A 37 37 LYS CA C 37 56.284 57.461 -1.177 1
1 433 . 2 1 1 A 37 37 LYS CB C 37 34.026 33.469 0.557 1
1 437 . 2 1 1 A 37 37 LYS N N 37 116.344 114.532 1.812 1
1 438 . 2 1 1 A 38 38 THR H H 38 8.122 8.413 -0.291 1
1 439 . 2 1 1 A 38 38 THR HA H 38 4.409 4.664 -0.255 1
1 444 . 2 1 1 A 38 38 THR C C 38 172.766 172.758 0.008 1
1 445 . 2 1 1 A 38 38 THR CA C 38 61.468 61.255 0.213 1
1 446 . 2 1 1 A 38 38 THR CB C 38 69.124 70.984 -1.860 1
1 448 . 2 1 1 A 38 38 THR N N 38 113.585 109.701 3.884 1
1 449 . 2 1 1 A 39 39 VAL H H 39 8.254 8.682 -0.428 1
1 450 . 2 1 1 A 39 39 VAL HA H 39 4.399 4.509 -0.110 1
1 455 . 2 1 1 A 39 39 VAL C C 39 176.183 173.950 2.233 1
1 456 . 2 1 1 A 39 39 VAL CA C 39 62.431 61.257 1.174 1
1 457 . 2 1 1 A 39 39 VAL CB C 39 32.795 32.279 0.516 1
1 459 . 2 1 1 A 39 39 VAL N N 39 120.756 120.829 -0.073 1
1 460 . 2 1 1 A 40 40 GLU H H 40 8.732 7.878 0.854 1
1 461 . 2 1 1 A 40 40 GLU HA H 40 4.711 4.984 -0.273 1
1 464 . 2 1 1 A 40 40 GLU C C 40 175.571 175.537 0.034 1
1 465 . 2 1 1 A 40 40 GLU CA C 40 55.569 55.871 -0.302 1
1 466 . 2 1 1 A 40 40 GLU CB C 40 30.469 33.465 -2.996 1
1 468 . 2 1 1 A 40 40 GLU N N 40 124.791 125.078 -0.287 1
1 469 . 2 1 1 A 41 41 GLY H H 41 8.145 8.450 -0.305 1
1 470 . 2 1 1 A 41 41 GLY HA2 H 41 4.236 4.157 0.079 1
1 471 . 2 1 1 A 41 41 GLY HA3 H 41 3.589 4.172 -0.583 1
1 472 . 2 1 1 A 41 41 GLY C C 41 172.517 172.738 -0.221 1
1 473 . 2 1 1 A 41 41 GLY CA C 41 45.203 45.684 -0.481 1
1 474 . 2 1 1 A 41 41 GLY N N 41 107.758 111.538 -3.780 1
1 475 . 2 1 1 A 42 42 VAL H H 42 8.490 9.074 -0.584 1
1 476 . 2 1 1 A 42 42 VAL HA H 42 4.525 5.030 -0.505 1
1 481 . 2 1 1 A 42 42 VAL C C 42 176.739 174.957 1.782 1
1 482 . 2 1 1 A 42 42 VAL CA C 42 62.354 60.696 1.658 1
1 483 . 2 1 1 A 42 42 VAL CB C 42 33.355 33.220 0.135 1
1 485 . 2 1 1 A 42 42 VAL N N 42 121.959 115.170 6.789 1
1 486 . 2 1 1 A 43 43 TRP H H 43 9.465 9.067 0.398 1
1 487 . 2 1 1 A 43 43 TRP HA H 43 5.375 5.294 0.081 1
1 495 . 2 1 1 A 43 43 TRP C C 43 177.127 176.411 0.716 1
1 496 . 2 1 1 A 43 43 TRP CA C 43 58.056 57.359 0.697 1
1 497 . 2 1 1 A 43 43 TRP CB C 43 29.740 29.186 0.554 1
1 502 . 2 1 1 A 43 43 TRP N N 43 130.804 128.446 2.358 1
1 504 . 2 1 1 A 44 44 THR H H 44 9.380 9.506 -0.126 1
1 505 . 2 1 1 A 44 44 THR HA H 44 4.908 5.393 -0.485 1
1 510 . 2 1 1 A 44 44 THR C C 44 172.803 173.290 -0.487 1
1 511 . 2 1 1 A 44 44 THR CA C 44 61.075 59.655 1.420 1
1 512 . 2 1 1 A 44 44 THR CB C 44 72.681 72.256 0.425 1
1 514 . 2 1 1 A 44 44 THR N N 44 115.117 114.688 0.429 1
1 515 . 2 1 1 A 45 45 TYR H H 45 8.773 9.003 -0.230 1
1 516 . 2 1 1 A 45 45 TYR HA H 45 5.143 5.695 -0.552 1
1 521 . 2 1 1 A 45 45 TYR C C 45 174.047 173.703 0.344 1
1 522 . 2 1 1 A 45 45 TYR CA C 45 57.154 56.936 0.218 1
1 523 . 2 1 1 A 45 45 TYR CB C 45 41.212 42.644 -1.432 1
1 526 . 2 1 1 A 45 45 TYR N N 45 121.946 123.208 -1.262 1
1 527 . 2 1 1 A 46 46 LYS H H 46 7.505 8.575 -1.070 1
1 528 . 2 1 1 A 46 46 LYS HA H 46 4.457 4.573 -0.116 1
1 533 . 2 1 1 A 46 46 LYS C C 46 175.444 175.380 0.064 1
1 534 . 2 1 1 A 46 46 LYS CA C 46 53.992 53.875 0.117 1
1 535 . 2 1 1 A 46 46 LYS CB C 46 33.875 35.088 -1.213 1
1 539 . 2 1 1 A 46 46 LYS N N 46 128.658 126.307 2.351 1
1 540 . 2 1 1 A 47 47 ASP H H 47 8.807 8.658 0.149 1
1 541 . 2 1 1 A 47 47 ASP HA H 47 4.135 4.424 -0.289 1
1 544 . 2 1 1 A 47 47 ASP C C 47 179.380 177.641 1.739 1
1 545 . 2 1 1 A 47 47 ASP CA C 47 57.464 54.554 2.910 1
1 546 . 2 1 1 A 47 47 ASP CB C 47 42.288 40.914 1.374 1
1 547 . 2 1 1 A 47 47 ASP N N 47 126.643 123.563 3.080 1
1 548 . 2 1 1 A 48 48 GLU H H 48 9.909 7.889 2.020 1
1 549 . 2 1 1 A 48 48 GLU HA H 48 4.172 4.112 0.060 1
1 554 . 2 1 1 A 48 48 GLU C C 48 177.317 177.465 -0.148 1
1 555 . 2 1 1 A 48 48 GLU CA C 48 59.979 59.112 0.867 1
1 556 . 2 1 1 A 48 48 GLU CB C 48 28.699 29.841 -1.142 1
1 558 . 2 1 1 A 48 48 GLU N N 48 118.400 117.491 0.909 1
1 559 . 2 1 1 A 49 49 ILE H H 49 6.510 7.225 -0.715 1
1 560 . 2 1 1 A 49 49 ILE HA H 49 4.697 4.285 0.412 1
1 568 . 2 1 1 A 49 49 ILE C C 49 175.868 175.218 0.650 1
1 569 . 2 1 1 A 49 49 ILE CA C 49 60.318 59.699 0.619 1
1 570 . 2 1 1 A 49 49 ILE CB C 49 38.324 37.708 0.616 1
1 574 . 2 1 1 A 49 49 ILE N N 49 105.782 112.449 -6.667 1
1 575 . 2 1 1 A 50 50 LYS H H 50 7.991 7.800 0.191 1
1 576 . 2 1 1 A 50 50 LYS HA H 50 4.336 3.928 0.408 1
1 581 . 2 1 1 A 50 50 LYS C C 50 174.829 174.885 -0.056 1
1 582 . 2 1 1 A 50 50 LYS CA C 50 55.959 56.821 -0.862 1
1 583 . 2 1 1 A 50 50 LYS CB C 50 29.232 30.715 -1.483 1
1 585 . 2 1 1 A 50 50 LYS N N 50 124.329 116.736 7.593 1
1 586 . 2 1 1 A 51 51 THR H H 51 7.174 7.491 -0.317 1
1 587 . 2 1 1 A 51 51 THR HA H 51 5.774 5.168 0.606 1
1 592 . 2 1 1 A 51 51 THR C C 51 173.893 172.936 0.957 1
1 593 . 2 1 1 A 51 51 THR CA C 51 62.217 61.107 1.110 1
1 594 . 2 1 1 A 51 51 THR CB C 51 73.248 71.977 1.271 1
1 596 . 2 1 1 A 51 51 THR N N 51 109.849 114.365 -4.516 1
1 597 . 2 1 1 A 52 52 PHE H H 52 10.338 9.540 0.798 1
1 598 . 2 1 1 A 52 52 PHE HA H 52 5.693 6.009 -0.316 1
1 605 . 2 1 1 A 52 52 PHE C C 52 174.361 175.291 -0.930 1
1 606 . 2 1 1 A 52 52 PHE CA C 52 57.260 56.524 0.736 1
1 607 . 2 1 1 A 52 52 PHE CB C 52 42.130 42.664 -0.534 1
1 612 . 2 1 1 A 52 52 PHE N N 52 130.662 125.975 4.687 1
1 613 . 2 1 1 A 53 53 THR H H 53 9.262 9.402 -0.140 1
1 614 . 2 1 1 A 53 53 THR HA H 53 5.288 4.909 0.379 1
1 619 . 2 1 1 A 53 53 THR C C 53 172.678 173.195 -0.517 1
1 620 . 2 1 1 A 53 53 THR CA C 53 61.511 61.180 0.331 1
1 621 . 2 1 1 A 53 53 THR CB C 53 70.861 72.338 -1.477 1
1 623 . 2 1 1 A 53 53 THR N N 53 118.205 114.943 3.262 1
1 624 . 2 1 1 A 54 54 VAL H H 54 8.628 8.801 -0.173 1
1 625 . 2 1 1 A 54 54 VAL HA H 54 4.599 5.021 -0.422 1
1 633 . 2 1 1 A 54 54 VAL C C 54 174.090 174.227 -0.137 1
1 634 . 2 1 1 A 54 54 VAL CA C 54 59.646 60.121 -0.475 1
1 635 . 2 1 1 A 54 54 VAL CB C 54 32.737 33.668 -0.931 1
1 637 . 2 1 1 A 54 54 VAL N N 54 125.183 122.631 2.552 1
1 638 . 2 1 1 A 55 55 THR H H 55 8.434 8.676 -0.242 1
1 639 . 2 1 1 A 55 55 THR HA H 55 4.951 4.910 0.041 1
1 644 . 2 1 1 A 55 55 THR C C 55 173.695 172.912 0.783 1
1 645 . 2 1 1 A 55 55 THR CA C 55 61.219 61.505 -0.286 1
1 646 . 2 1 1 A 55 55 THR CB C 55 71.454 70.169 1.285 1
1 648 . 2 1 1 A 55 55 THR N N 55 122.255 124.089 -1.834 1
1 9 . 3 1 1 A 2 2 THR H H 2 8.931 8.550 0.381 1
1 10 . 3 1 1 A 2 2 THR HA H 2 4.504 5.171 -0.667 1
1 15 . 3 1 1 A 2 2 THR C C 2 172.828 173.343 -0.515 1
1 16 . 3 1 1 A 2 2 THR CA C 2 63.506 61.162 2.344 1
1 17 . 3 1 1 A 2 2 THR CB C 2 68.833 70.901 -2.068 1
1 19 . 3 1 1 A 2 2 THR N N 2 124.414 116.643 7.771 1
1 20 . 3 1 1 A 3 3 TYR H H 3 9.041 9.062 -0.021 1
1 21 . 3 1 1 A 3 3 TYR HA H 3 5.453 5.793 -0.340 1
1 26 . 3 1 1 A 3 3 TYR C C 3 174.672 175.593 -0.921 1
1 27 . 3 1 1 A 3 3 TYR CA C 3 57.886 56.766 1.120 1
1 28 . 3 1 1 A 3 3 TYR CB C 3 42.295 42.194 0.101 1
1 31 . 3 1 1 A 3 3 TYR N N 3 127.469 125.840 1.629 1
1 32 . 3 1 1 A 4 4 LYS H H 4 9.046 8.541 0.505 1
1 33 . 3 1 1 A 4 4 LYS HA H 4 5.547 5.504 0.043 1
1 40 . 3 1 1 A 4 4 LYS C C 4 173.092 174.815 -1.723 1
1 41 . 3 1 1 A 4 4 LYS CA C 4 55.112 54.927 0.185 1
1 42 . 3 1 1 A 4 4 LYS CB C 4 35.889 36.630 -0.741 1
1 46 . 3 1 1 A 4 4 LYS N N 4 121.164 121.083 0.081 1
1 47 . 3 1 1 A 5 5 LEU H H 5 9.017 9.332 -0.315 1
1 48 . 3 1 1 A 5 5 LEU HA H 5 5.095 5.394 -0.299 1
1 58 . 3 1 1 A 5 5 LEU C C 5 174.914 174.304 0.610 1
1 59 . 3 1 1 A 5 5 LEU CA C 5 52.648 53.432 -0.784 1
1 60 . 3 1 1 A 5 5 LEU CB C 5 43.729 44.588 -0.859 1
1 63 . 3 1 1 A 5 5 LEU N N 5 126.371 124.266 2.105 1
1 64 . 3 1 1 A 6 6 ILE H H 6 9.129 9.358 -0.229 1
1 65 . 3 1 1 A 6 6 ILE HA H 6 4.502 4.669 -0.167 1
1 70 . 3 1 1 A 6 6 ILE C C 6 174.654 174.687 -0.033 1
1 71 . 3 1 1 A 6 6 ILE CA C 6 60.366 60.060 0.306 1
1 72 . 3 1 1 A 6 6 ILE CB C 6 38.760 38.591 0.169 1
1 76 . 3 1 1 A 6 6 ILE N N 6 126.264 127.600 -1.336 1
1 77 . 3 1 1 A 7 7 LEU H H 7 8.956 9.172 -0.216 1
1 78 . 3 1 1 A 7 7 LEU HA H 7 4.570 5.053 -0.483 1
1 84 . 3 1 1 A 7 7 LEU C C 7 174.493 175.415 -0.922 1
1 85 . 3 1 1 A 7 7 LEU CA C 7 53.644 53.226 0.418 1
1 86 . 3 1 1 A 7 7 LEU CB C 7 41.339 42.975 -1.636 1
1 89 . 3 1 1 A 7 7 LEU N N 7 126.422 128.669 -2.247 1
1 90 . 3 1 1 A 8 8 ASN H H 8 9.065 8.901 0.164 1
1 91 . 3 1 1 A 8 8 ASN HA H 8 5.181 5.264 -0.083 1
1 96 . 3 1 1 A 8 8 ASN C C 8 174.434 174.191 0.243 1
1 97 . 3 1 1 A 8 8 ASN CA C 8 51.851 51.947 -0.096 1
1 98 . 3 1 1 A 8 8 ASN CB C 8 37.869 40.542 -2.673 1
1 99 . 3 1 1 A 8 8 ASN N N 8 125.633 124.092 1.541 1
1 101 . 3 1 1 A 9 9 LEU H H 9 7.720 8.649 -0.929 1
1 102 . 3 1 1 A 9 9 LEU HA H 9 4.754 4.785 -0.031 1
1 109 . 3 1 1 A 9 9 LEU C C 9 177.207 178.462 -1.255 1
1 110 . 3 1 1 A 9 9 LEU CA C 9 53.431 53.311 0.120 1
1 111 . 3 1 1 A 9 9 LEU CB C 9 41.451 43.423 -1.972 1
1 114 . 3 1 1 A 9 9 LEU N N 9 121.516 127.159 -5.643 1
1 115 . 3 1 1 A 10 10 LYS H H 10 9.251 8.779 0.472 1
1 116 . 3 1 1 A 10 10 LYS HA H 10 4.034 4.008 0.026 1
1 123 . 3 1 1 A 10 10 LYS C C 10 179.205 176.801 2.404 1
1 124 . 3 1 1 A 10 10 LYS CA C 10 59.720 58.881 0.839 1
1 125 . 3 1 1 A 10 10 LYS CB C 10 31.834 32.427 -0.593 1
1 128 . 3 1 1 A 10 10 LYS N N 10 120.915 122.921 -2.006 1
1 129 . 3 1 1 A 11 11 GLN H H 11 8.566 7.935 0.631 1
1 130 . 3 1 1 A 11 11 GLN HA H 11 4.447 4.537 -0.090 1
1 137 . 3 1 1 A 11 11 GLN C C 11 175.378 174.210 1.168 1
1 138 . 3 1 1 A 11 11 GLN CA C 11 56.019 54.885 1.134 1
1 139 . 3 1 1 A 11 11 GLN CB C 11 29.175 29.271 -0.096 1
1 141 . 3 1 1 A 11 11 GLN N N 11 113.391 116.513 -3.122 1
1 143 . 3 1 1 A 12 12 ALA H H 12 7.186 7.847 -0.661 1
1 144 . 3 1 1 A 12 12 ALA HA H 12 4.506 4.529 -0.023 1
1 148 . 3 1 1 A 12 12 ALA C C 12 174.369 175.721 -1.352 1
1 149 . 3 1 1 A 12 12 ALA CA C 12 52.485 52.014 0.471 1
1 150 . 3 1 1 A 12 12 ALA CB C 12 21.424 18.971 2.453 1
1 151 . 3 1 1 A 12 12 ALA N N 12 120.106 123.182 -3.076 1
1 152 . 3 1 1 A 13 13 LYS H H 13 8.298 8.983 -0.685 1
1 153 . 3 1 1 A 13 13 LYS HA H 13 5.392 5.075 0.317 1
1 158 . 3 1 1 A 13 13 LYS C C 13 176.285 175.249 1.036 1
1 159 . 3 1 1 A 13 13 LYS CA C 13 55.138 54.969 0.169 1
1 160 . 3 1 1 A 13 13 LYS CB C 13 33.656 34.413 -0.757 1
1 164 . 3 1 1 A 13 13 LYS N N 13 120.804 124.835 -4.031 1
1 165 . 3 1 1 A 14 14 GLU H H 14 8.640 8.645 -0.005 1
1 166 . 3 1 1 A 14 14 GLU HA H 14 4.879 5.113 -0.234 1
1 171 . 3 1 1 A 14 14 GLU C C 14 174.032 174.696 -0.664 1
1 172 . 3 1 1 A 14 14 GLU CA C 14 54.909 54.557 0.352 1
1 173 . 3 1 1 A 14 14 GLU CB C 14 34.407 33.591 0.816 1
1 175 . 3 1 1 A 14 14 GLU N N 14 123.450 128.041 -4.591 1
1 176 . 3 1 1 A 15 15 GLU H H 15 8.642 8.734 -0.092 1
1 177 . 3 1 1 A 15 15 GLU HA H 15 5.631 4.942 0.689 1
1 182 . 3 1 1 A 15 15 GLU C C 15 175.503 175.399 0.104 1
1 183 . 3 1 1 A 15 15 GLU CA C 15 54.638 55.287 -0.649 1
1 184 . 3 1 1 A 15 15 GLU CB C 15 34.147 31.744 2.403 1
1 186 . 3 1 1 A 15 15 GLU N N 15 120.056 125.251 -5.195 1
1 187 . 3 1 1 A 16 16 ALA H H 16 9.166 9.756 -0.590 1
1 188 . 3 1 1 A 16 16 ALA HA H 16 4.981 5.637 -0.656 1
1 192 . 3 1 1 A 16 16 ALA C C 16 175.027 176.374 -1.347 1
1 193 . 3 1 1 A 16 16 ALA CA C 16 51.324 49.961 1.363 1
1 194 . 3 1 1 A 16 16 ALA CB C 16 22.552 22.714 -0.162 1
1 195 . 3 1 1 A 16 16 ALA N N 16 124.648 126.099 -1.451 1
1 196 . 3 1 1 A 17 17 ILE H H 17 8.645 9.038 -0.393 1
1 197 . 3 1 1 A 17 17 ILE HA H 17 5.672 5.333 0.339 1
1 207 . 3 1 1 A 17 17 ILE C C 17 175.737 174.424 1.313 1
1 208 . 3 1 1 A 17 17 ILE CA C 17 59.733 59.170 0.563 1
1 209 . 3 1 1 A 17 17 ILE CB C 17 42.219 42.712 -0.493 1
1 213 . 3 1 1 A 17 17 ILE N N 17 116.684 117.276 -0.592 1
1 214 . 3 1 1 A 18 18 LYS H H 18 9.243 8.551 0.692 1
1 215 . 3 1 1 A 18 18 LYS HA H 18 4.548 4.690 -0.142 1
1 222 . 3 1 1 A 18 18 LYS C C 18 174.039 173.773 0.266 1
1 223 . 3 1 1 A 18 18 LYS CA C 18 54.956 55.898 -0.942 1
1 224 . 3 1 1 A 18 18 LYS CB C 18 37.101 36.371 0.730 1
1 228 . 3 1 1 A 18 18 LYS N N 18 123.578 122.374 1.204 1
1 229 . 3 1 1 A 19 19 GLU H H 19 8.812 8.893 -0.081 1
1 230 . 3 1 1 A 19 19 GLU HA H 19 5.184 5.165 0.019 1
1 233 . 3 1 1 A 19 19 GLU C C 19 175.912 175.442 0.470 1
1 234 . 3 1 1 A 19 19 GLU CA C 19 55.340 55.099 0.241 1
1 235 . 3 1 1 A 19 19 GLU CB C 19 29.224 32.185 -2.961 1
1 237 . 3 1 1 A 19 19 GLU N N 19 129.720 127.114 2.606 1
1 238 . 3 1 1 A 20 20 ALA H H 20 9.425 8.939 0.486 1
1 239 . 3 1 1 A 20 20 ALA HA H 20 4.935 5.001 -0.066 1
1 243 . 3 1 1 A 20 20 ALA C C 20 177.376 177.221 0.155 1
1 244 . 3 1 1 A 20 20 ALA CA C 20 51.128 50.256 0.872 1
1 245 . 3 1 1 A 20 20 ALA CB C 20 23.405 23.590 -0.185 1
1 246 . 3 1 1 A 20 20 ALA N N 20 127.622 129.379 -1.757 1
1 247 . 3 1 1 A 21 21 VAL H H 21 8.620 8.513 0.107 1
1 248 . 3 1 1 A 21 21 VAL HA H 21 4.262 4.321 -0.059 1
1 253 . 3 1 1 A 21 21 VAL C C 21 175.539 174.892 0.647 1
1 254 . 3 1 1 A 21 21 VAL CA C 21 63.598 62.647 0.951 1
1 255 . 3 1 1 A 21 21 VAL CB C 21 31.839 32.621 -0.782 1
1 257 . 3 1 1 A 21 21 VAL N N 21 115.529 119.433 -3.904 1
1 258 . 3 1 1 A 22 22 ASP H H 22 7.405 7.736 -0.331 1
1 259 . 3 1 1 A 22 22 ASP HA H 22 4.946 4.917 0.029 1
1 262 . 3 1 1 A 22 22 ASP C C 22 174.734 174.416 0.318 1
1 263 . 3 1 1 A 22 22 ASP CA C 22 52.601 53.154 -0.553 1
1 264 . 3 1 1 A 22 22 ASP CB C 22 42.748 44.076 -1.328 1
1 265 . 3 1 1 A 22 22 ASP N N 22 115.513 121.880 -6.367 1
1 266 . 3 1 1 A 23 23 ALA H H 23 8.614 8.288 0.326 1
1 267 . 3 1 1 A 23 23 ALA HA H 23 3.294 3.755 -0.461 1
1 271 . 3 1 1 A 23 23 ALA C C 23 179.849 178.952 0.897 1
1 272 . 3 1 1 A 23 23 ALA CA C 23 54.858 52.710 2.148 1
1 273 . 3 1 1 A 23 23 ALA CB C 23 17.424 20.690 -3.266 1
1 274 . 3 1 1 A 23 23 ALA N N 23 121.829 122.596 -0.767 1
1 275 . 3 1 1 A 24 24 GLY H H 24 8.555 8.431 0.124 1
1 276 . 3 1 1 A 24 24 GLY HA2 H 24 3.851 3.848 0.003 1
1 277 . 3 1 1 A 24 24 GLY HA3 H 24 3.851 3.875 -0.024 1
1 278 . 3 1 1 A 24 24 GLY C C 24 177.142 176.303 0.839 1
1 279 . 3 1 1 A 24 24 GLY CA C 24 46.839 46.825 0.014 1
1 280 . 3 1 1 A 24 24 GLY N N 24 106.435 106.565 -0.130 1
1 281 . 3 1 1 A 25 25 THR H H 25 8.241 7.883 0.358 1
1 282 . 3 1 1 A 25 25 THR HA H 25 4.063 4.075 -0.012 1
1 287 . 3 1 1 A 25 25 THR C C 25 177.054 176.160 0.894 1
1 288 . 3 1 1 A 25 25 THR CA C 25 66.635 65.134 1.501 1
1 289 . 3 1 1 A 25 25 THR CB C 25 68.068 68.536 -0.468 1
1 291 . 3 1 1 A 25 25 THR N N 25 119.981 117.581 2.400 1
1 292 . 3 1 1 A 26 26 ALA H H 26 7.100 8.153 -1.053 1
1 293 . 3 1 1 A 26 26 ALA HA H 26 3.364 3.475 -0.111 1
1 297 . 3 1 1 A 26 26 ALA C C 26 177.098 178.754 -1.656 1
1 298 . 3 1 1 A 26 26 ALA CA C 26 55.502 54.696 0.806 1
1 299 . 3 1 1 A 26 26 ALA CB C 26 17.127 17.544 -0.417 1
1 300 . 3 1 1 A 26 26 ALA N N 26 124.535 123.829 0.706 1
1 301 . 3 1 1 A 27 27 GLU H H 27 8.739 7.810 0.929 1
1 302 . 3 1 1 A 27 27 GLU HA H 27 2.941 3.914 -0.973 1
1 307 . 3 1 1 A 27 27 GLU C C 27 177.368 178.556 -1.188 1
1 308 . 3 1 1 A 27 27 GLU CA C 27 60.190 59.550 0.640 1
1 309 . 3 1 1 A 27 27 GLU CB C 27 29.225 29.070 0.155 1
1 311 . 3 1 1 A 27 27 GLU N N 27 118.116 118.545 -0.429 1
1 312 . 3 1 1 A 28 28 LYS H H 28 7.333 7.521 -0.188 1
1 313 . 3 1 1 A 28 28 LYS HA H 28 3.764 4.070 -0.306 1
1 320 . 3 1 1 A 28 28 LYS C C 28 178.993 178.521 0.472 1
1 321 . 3 1 1 A 28 28 LYS CA C 28 59.881 58.774 1.107 1
1 322 . 3 1 1 A 28 28 LYS CB C 28 32.382 32.124 0.258 1
1 324 . 3 1 1 A 28 28 LYS N N 28 116.088 118.679 -2.591 1
1 325 . 3 1 1 A 29 29 TYR H H 29 7.016 8.134 -1.118 1
1 326 . 3 1 1 A 29 29 TYR HA H 29 4.273 4.255 0.018 1
1 333 . 3 1 1 A 29 29 TYR C C 29 177.581 177.660 -0.079 1
1 334 . 3 1 1 A 29 29 TYR CA C 29 61.050 61.407 -0.357 1
1 335 . 3 1 1 A 29 29 TYR CB C 29 37.860 38.460 -0.600 1
1 340 . 3 1 1 A 29 29 TYR N N 29 119.155 121.890 -2.735 1
1 341 . 3 1 1 A 30 30 PHE H H 30 8.775 8.540 0.235 1
1 342 . 3 1 1 A 30 30 PHE HA H 30 4.619 4.160 0.459 1
1 349 . 3 1 1 A 30 30 PHE C C 30 178.612 177.812 0.800 1
1 350 . 3 1 1 A 30 30 PHE CA C 30 57.312 62.471 -5.159 1
1 351 . 3 1 1 A 30 30 PHE CB C 30 37.667 38.492 -0.825 1
1 356 . 3 1 1 A 30 30 PHE N N 30 118.969 119.002 -0.033 1
1 357 . 3 1 1 A 31 31 LYS H H 31 8.977 8.927 0.050 1
1 358 . 3 1 1 A 31 31 LYS HA H 31 4.141 4.354 -0.213 1
1 363 . 3 1 1 A 31 31 LYS C C 31 178.781 179.201 -0.420 1
1 364 . 3 1 1 A 31 31 LYS CA C 31 59.878 59.666 0.212 1
1 365 . 3 1 1 A 31 31 LYS CB C 31 31.707 32.329 -0.622 1
1 367 . 3 1 1 A 31 31 LYS N N 31 121.474 120.645 0.829 1
1 368 . 3 1 1 A 32 32 LEU H H 32 7.215 7.763 -0.548 1
1 369 . 3 1 1 A 32 32 LEU HA H 32 4.179 4.052 0.127 1
1 376 . 3 1 1 A 32 32 LEU C C 32 180.639 179.412 1.227 1
1 377 . 3 1 1 A 32 32 LEU CA C 32 57.933 57.836 0.097 1
1 378 . 3 1 1 A 32 32 LEU CB C 32 41.283 41.539 -0.256 1
1 381 . 3 1 1 A 32 32 LEU N N 32 118.836 119.199 -0.363 1
1 382 . 3 1 1 A 33 33 ILE H H 33 7.397 7.566 -0.169 1
1 383 . 3 1 1 A 33 33 ILE HA H 33 3.896 3.884 0.012 1
1 388 . 3 1 1 A 33 33 ILE C C 33 178.546 177.697 0.849 1
1 389 . 3 1 1 A 33 33 ILE CA C 33 63.892 63.725 0.167 1
1 390 . 3 1 1 A 33 33 ILE CB C 33 37.582 37.983 -0.401 1
1 393 . 3 1 1 A 33 33 ILE N N 33 118.838 119.811 -0.973 1
1 394 . 3 1 1 A 34 34 ALA H H 34 8.593 8.750 -0.157 1
1 395 . 3 1 1 A 34 34 ALA HA H 34 3.984 4.071 -0.087 1
1 399 . 3 1 1 A 34 34 ALA C C 34 179.571 179.619 -0.048 1
1 400 . 3 1 1 A 34 34 ALA CA C 34 55.141 55.513 -0.372 1
1 401 . 3 1 1 A 34 34 ALA CB C 34 18.671 18.583 0.088 1
1 402 . 3 1 1 A 34 34 ALA N N 34 121.471 124.108 -2.637 1
1 403 . 3 1 1 A 35 35 ASN H H 35 8.503 8.293 0.210 1
1 404 . 3 1 1 A 35 35 ASN HA H 35 4.707 4.665 0.042 1
1 409 . 3 1 1 A 35 35 ASN C C 35 177.434 177.698 -0.264 1
1 410 . 3 1 1 A 35 35 ASN CA C 35 55.732 56.419 -0.687 1
1 411 . 3 1 1 A 35 35 ASN CB C 35 38.224 39.284 -1.060 1
1 412 . 3 1 1 A 35 35 ASN N N 35 116.283 116.825 -0.542 1
1 414 . 3 1 1 A 36 36 ALA H H 36 7.610 7.544 0.066 1
1 415 . 3 1 1 A 36 36 ALA HA H 36 4.363 4.120 0.243 1
1 419 . 3 1 1 A 36 36 ALA C C 36 178.715 177.846 0.869 1
1 420 . 3 1 1 A 36 36 ALA CA C 36 54.004 54.035 -0.031 1
1 421 . 3 1 1 A 36 36 ALA CB C 36 19.224 18.531 0.693 1
1 422 . 3 1 1 A 36 36 ALA N N 36 120.620 120.943 -0.323 1
1 423 . 3 1 1 A 37 37 LYS H H 37 7.673 7.953 -0.280 1
1 424 . 3 1 1 A 37 37 LYS HA H 37 4.436 4.561 -0.125 1
1 431 . 3 1 1 A 37 37 LYS C C 37 175.876 175.929 -0.053 1
1 432 . 3 1 1 A 37 37 LYS CA C 37 56.284 55.548 0.736 1
1 433 . 3 1 1 A 37 37 LYS CB C 37 34.026 32.871 1.155 1
1 437 . 3 1 1 A 37 37 LYS N N 37 116.344 113.192 3.152 1
1 438 . 3 1 1 A 38 38 THR H H 38 8.122 7.698 0.424 1
1 439 . 3 1 1 A 38 38 THR HA H 38 4.409 4.772 -0.363 1
1 444 . 3 1 1 A 38 38 THR C C 38 172.766 173.368 -0.602 1
1 445 . 3 1 1 A 38 38 THR CA C 38 61.468 61.580 -0.112 1
1 446 . 3 1 1 A 38 38 THR CB C 38 69.124 71.420 -2.296 1
1 448 . 3 1 1 A 38 38 THR N N 38 113.585 113.582 0.003 1
1 449 . 3 1 1 A 39 39 VAL H H 39 8.254 8.750 -0.496 1
1 450 . 3 1 1 A 39 39 VAL HA H 39 4.399 4.582 -0.183 1
1 455 . 3 1 1 A 39 39 VAL C C 39 176.183 175.163 1.020 1
1 456 . 3 1 1 A 39 39 VAL CA C 39 62.431 60.489 1.942 1
1 457 . 3 1 1 A 39 39 VAL CB C 39 32.795 32.283 0.512 1
1 459 . 3 1 1 A 39 39 VAL N N 39 120.756 118.515 2.241 1
1 460 . 3 1 1 A 40 40 GLU H H 40 8.732 7.705 1.027 1
1 461 . 3 1 1 A 40 40 GLU HA H 40 4.711 4.667 0.044 1
1 464 . 3 1 1 A 40 40 GLU C C 40 175.571 175.177 0.394 1
1 465 . 3 1 1 A 40 40 GLU CA C 40 55.569 56.299 -0.730 1
1 466 . 3 1 1 A 40 40 GLU CB C 40 30.469 32.367 -1.898 1
1 468 . 3 1 1 A 40 40 GLU N N 40 124.791 121.411 3.380 1
1 469 . 3 1 1 A 41 41 GLY H H 41 8.145 8.410 -0.265 1
1 470 . 3 1 1 A 41 41 GLY HA2 H 41 4.236 4.203 0.033 1
1 471 . 3 1 1 A 41 41 GLY HA3 H 41 3.589 4.212 -0.623 1
1 472 . 3 1 1 A 41 41 GLY C C 41 172.517 171.512 1.005 1
1 473 . 3 1 1 A 41 41 GLY CA C 41 45.203 45.602 -0.399 1
1 474 . 3 1 1 A 41 41 GLY N N 41 107.758 111.740 -3.982 1
1 475 . 3 1 1 A 42 42 VAL H H 42 8.490 8.707 -0.217 1
1 476 . 3 1 1 A 42 42 VAL HA H 42 4.525 4.638 -0.113 1
1 481 . 3 1 1 A 42 42 VAL C C 42 176.739 175.984 0.755 1
1 482 . 3 1 1 A 42 42 VAL CA C 42 62.354 61.313 1.041 1
1 483 . 3 1 1 A 42 42 VAL CB C 42 33.355 32.682 0.673 1
1 485 . 3 1 1 A 42 42 VAL N N 42 121.959 120.372 1.587 1
1 486 . 3 1 1 A 43 43 TRP H H 43 9.465 9.001 0.464 1
1 487 . 3 1 1 A 43 43 TRP HA H 43 5.375 5.163 0.212 1
1 495 . 3 1 1 A 43 43 TRP C C 43 177.127 176.533 0.594 1
1 496 . 3 1 1 A 43 43 TRP CA C 43 58.056 57.877 0.179 1
1 497 . 3 1 1 A 43 43 TRP CB C 43 29.740 30.433 -0.693 1
1 502 . 3 1 1 A 43 43 TRP N N 43 130.804 128.968 1.836 1
1 504 . 3 1 1 A 44 44 THR H H 44 9.380 8.964 0.416 1
1 505 . 3 1 1 A 44 44 THR HA H 44 4.908 5.088 -0.180 1
1 510 . 3 1 1 A 44 44 THR C C 44 172.803 171.751 1.052 1
1 511 . 3 1 1 A 44 44 THR CA C 44 61.075 60.614 0.461 1
1 512 . 3 1 1 A 44 44 THR CB C 44 72.681 70.167 2.514 1
1 514 . 3 1 1 A 44 44 THR N N 44 115.117 116.486 -1.369 1
1 515 . 3 1 1 A 45 45 TYR H H 45 8.773 8.927 -0.154 1
1 516 . 3 1 1 A 45 45 TYR HA H 45 5.143 5.617 -0.474 1
1 521 . 3 1 1 A 45 45 TYR C C 45 174.047 173.664 0.383 1
1 522 . 3 1 1 A 45 45 TYR CA C 45 57.154 57.041 0.113 1
1 523 . 3 1 1 A 45 45 TYR CB C 45 41.212 42.396 -1.184 1
1 526 . 3 1 1 A 45 45 TYR N N 45 121.946 126.597 -4.651 1
1 527 . 3 1 1 A 46 46 LYS H H 46 7.505 8.811 -1.306 1
1 528 . 3 1 1 A 46 46 LYS HA H 46 4.457 4.690 -0.233 1
1 533 . 3 1 1 A 46 46 LYS C C 46 175.444 174.708 0.736 1
1 534 . 3 1 1 A 46 46 LYS CA C 46 53.992 54.162 -0.170 1
1 535 . 3 1 1 A 46 46 LYS CB C 46 33.875 34.096 -0.221 1
1 539 . 3 1 1 A 46 46 LYS N N 46 128.658 126.444 2.214 1
1 540 . 3 1 1 A 47 47 ASP H H 47 8.807 8.388 0.419 1
1 541 . 3 1 1 A 47 47 ASP HA H 47 4.135 4.956 -0.821 1
1 544 . 3 1 1 A 47 47 ASP C C 47 179.380 176.056 3.324 1
1 545 . 3 1 1 A 47 47 ASP CA C 47 57.464 53.730 3.734 1
1 546 . 3 1 1 A 47 47 ASP CB C 47 42.288 41.245 1.043 1
1 547 . 3 1 1 A 47 47 ASP N N 47 126.643 124.099 2.544 1
1 548 . 3 1 1 A 48 48 GLU H H 48 9.909 8.570 1.339 1
1 549 . 3 1 1 A 48 48 GLU HA H 48 4.172 4.379 -0.207 1
1 554 . 3 1 1 A 48 48 GLU C C 48 177.317 176.104 1.213 1
1 555 . 3 1 1 A 48 48 GLU CA C 48 59.979 56.934 3.045 1
1 556 . 3 1 1 A 48 48 GLU CB C 48 28.699 31.130 -2.431 1
1 558 . 3 1 1 A 48 48 GLU N N 48 118.400 122.108 -3.708 1
1 559 . 3 1 1 A 49 49 ILE H H 49 6.510 7.857 -1.347 1
1 560 . 3 1 1 A 49 49 ILE HA H 49 4.697 4.243 0.454 1
1 568 . 3 1 1 A 49 49 ILE C C 49 175.868 175.332 0.536 1
1 569 . 3 1 1 A 49 49 ILE CA C 49 60.318 60.707 -0.389 1
1 570 . 3 1 1 A 49 49 ILE CB C 49 38.324 37.712 0.612 1
1 574 . 3 1 1 A 49 49 ILE N N 49 105.782 117.865 -12.083 1
1 575 . 3 1 1 A 50 50 LYS H H 50 7.991 7.772 0.219 1
1 576 . 3 1 1 A 50 50 LYS HA H 50 4.336 4.059 0.277 1
1 581 . 3 1 1 A 50 50 LYS C C 50 174.829 175.535 -0.706 1
1 582 . 3 1 1 A 50 50 LYS CA C 50 55.959 56.629 -0.670 1
1 583 . 3 1 1 A 50 50 LYS CB C 50 29.232 30.781 -1.549 1
1 585 . 3 1 1 A 50 50 LYS N N 50 124.329 118.882 5.447 1
1 586 . 3 1 1 A 51 51 THR H H 51 7.174 6.880 0.294 1
1 587 . 3 1 1 A 51 51 THR HA H 51 5.774 5.253 0.521 1
1 592 . 3 1 1 A 51 51 THR C C 51 173.893 172.829 1.064 1
1 593 . 3 1 1 A 51 51 THR CA C 51 62.217 59.527 2.690 1
1 594 . 3 1 1 A 51 51 THR CB C 51 73.248 72.493 0.755 1
1 596 . 3 1 1 A 51 51 THR N N 51 109.849 111.016 -1.167 1
1 597 . 3 1 1 A 52 52 PHE H H 52 10.338 9.432 0.906 1
1 598 . 3 1 1 A 52 52 PHE HA H 52 5.693 5.868 -0.175 1
1 605 . 3 1 1 A 52 52 PHE C C 52 174.361 174.936 -0.575 1
1 606 . 3 1 1 A 52 52 PHE CA C 52 57.260 56.013 1.247 1
1 607 . 3 1 1 A 52 52 PHE CB C 52 42.130 44.075 -1.945 1
1 612 . 3 1 1 A 52 52 PHE N N 52 130.662 118.947 11.715 1
1 613 . 3 1 1 A 53 53 THR H H 53 9.262 9.413 -0.151 1
1 614 . 3 1 1 A 53 53 THR HA H 53 5.288 4.956 0.332 1
1 619 . 3 1 1 A 53 53 THR C C 53 172.678 173.200 -0.522 1
1 620 . 3 1 1 A 53 53 THR CA C 53 61.511 61.072 0.439 1
1 621 . 3 1 1 A 53 53 THR CB C 53 70.861 72.146 -1.285 1
1 623 . 3 1 1 A 53 53 THR N N 53 118.205 114.208 3.997 1
1 624 . 3 1 1 A 54 54 VAL H H 54 8.628 8.762 -0.134 1
1 625 . 3 1 1 A 54 54 VAL HA H 54 4.599 5.021 -0.422 1
1 633 . 3 1 1 A 54 54 VAL C C 54 174.090 174.228 -0.138 1
1 634 . 3 1 1 A 54 54 VAL CA C 54 59.646 59.907 -0.261 1
1 635 . 3 1 1 A 54 54 VAL CB C 54 32.737 33.998 -1.261 1
1 637 . 3 1 1 A 54 54 VAL N N 54 125.183 122.299 2.884 1
1 638 . 3 1 1 A 55 55 THR H H 55 8.434 8.690 -0.256 1
1 639 . 3 1 1 A 55 55 THR HA H 55 4.951 4.931 0.020 1
1 644 . 3 1 1 A 55 55 THR C C 55 173.695 173.154 0.541 1
1 645 . 3 1 1 A 55 55 THR CA C 55 61.219 61.409 -0.190 1
1 646 . 3 1 1 A 55 55 THR CB C 55 71.454 70.579 0.875 1
1 648 . 3 1 1 A 55 55 THR N N 55 122.255 124.268 -2.013 1
1 9 . 4 1 1 A 2 2 THR H H 2 8.931 8.735 0.196 1
1 10 . 4 1 1 A 2 2 THR HA H 2 4.504 5.224 -0.720 1
1 15 . 4 1 1 A 2 2 THR C C 2 172.828 173.414 -0.586 1
1 16 . 4 1 1 A 2 2 THR CA C 2 63.506 60.808 2.698 1
1 17 . 4 1 1 A 2 2 THR CB C 2 68.833 70.184 -1.351 1
1 19 . 4 1 1 A 2 2 THR N N 2 124.414 117.112 7.302 1
1 20 . 4 1 1 A 3 3 TYR H H 3 9.041 8.947 0.094 1
1 21 . 4 1 1 A 3 3 TYR HA H 3 5.453 5.626 -0.173 1
1 26 . 4 1 1 A 3 3 TYR C C 3 174.672 175.863 -1.191 1
1 27 . 4 1 1 A 3 3 TYR CA C 3 57.886 57.146 0.740 1
1 28 . 4 1 1 A 3 3 TYR CB C 3 42.295 41.464 0.831 1
1 31 . 4 1 1 A 3 3 TYR N N 3 127.469 124.968 2.501 1
1 32 . 4 1 1 A 4 4 LYS H H 4 9.046 8.603 0.443 1
1 33 . 4 1 1 A 4 4 LYS HA H 4 5.547 5.455 0.092 1
1 40 . 4 1 1 A 4 4 LYS C C 4 173.092 174.973 -1.881 1
1 41 . 4 1 1 A 4 4 LYS CA C 4 55.112 54.731 0.381 1
1 42 . 4 1 1 A 4 4 LYS CB C 4 35.889 36.197 -0.308 1
1 46 . 4 1 1 A 4 4 LYS N N 4 121.164 121.861 -0.697 1
1 47 . 4 1 1 A 5 5 LEU H H 5 9.017 9.582 -0.565 1
1 48 . 4 1 1 A 5 5 LEU HA H 5 5.095 5.452 -0.357 1
1 58 . 4 1 1 A 5 5 LEU C C 5 174.914 174.285 0.629 1
1 59 . 4 1 1 A 5 5 LEU CA C 5 52.648 53.568 -0.920 1
1 60 . 4 1 1 A 5 5 LEU CB C 5 43.729 44.899 -1.170 1
1 63 . 4 1 1 A 5 5 LEU N N 5 126.371 123.863 2.508 1
1 64 . 4 1 1 A 6 6 ILE H H 6 9.129 9.288 -0.159 1
1 65 . 4 1 1 A 6 6 ILE HA H 6 4.502 4.658 -0.156 1
1 70 . 4 1 1 A 6 6 ILE C C 6 174.654 174.534 0.120 1
1 71 . 4 1 1 A 6 6 ILE CA C 6 60.366 60.295 0.071 1
1 72 . 4 1 1 A 6 6 ILE CB C 6 38.760 38.432 0.328 1
1 76 . 4 1 1 A 6 6 ILE N N 6 126.264 127.173 -0.909 1
1 77 . 4 1 1 A 7 7 LEU H H 7 8.956 9.064 -0.108 1
1 78 . 4 1 1 A 7 7 LEU HA H 7 4.570 5.077 -0.507 1
1 84 . 4 1 1 A 7 7 LEU C C 7 174.493 175.090 -0.597 1
1 85 . 4 1 1 A 7 7 LEU CA C 7 53.644 53.221 0.423 1
1 86 . 4 1 1 A 7 7 LEU CB C 7 41.339 43.063 -1.724 1
1 89 . 4 1 1 A 7 7 LEU N N 7 126.422 128.528 -2.106 1
1 90 . 4 1 1 A 8 8 ASN H H 8 9.065 9.070 -0.005 1
1 91 . 4 1 1 A 8 8 ASN HA H 8 5.181 5.291 -0.110 1
1 96 . 4 1 1 A 8 8 ASN C C 8 174.434 174.055 0.379 1
1 97 . 4 1 1 A 8 8 ASN CA C 8 51.851 52.032 -0.181 1
1 98 . 4 1 1 A 8 8 ASN CB C 8 37.869 40.594 -2.725 1
1 99 . 4 1 1 A 8 8 ASN N N 8 125.633 124.182 1.451 1
1 101 . 4 1 1 A 9 9 LEU H H 9 7.720 8.870 -1.150 1
1 102 . 4 1 1 A 9 9 LEU HA H 9 4.754 5.104 -0.350 1
1 109 . 4 1 1 A 9 9 LEU C C 9 177.207 175.286 1.921 1
1 110 . 4 1 1 A 9 9 LEU CA C 9 53.431 52.496 0.935 1
1 111 . 4 1 1 A 9 9 LEU CB C 9 41.451 44.949 -3.498 1
1 114 . 4 1 1 A 9 9 LEU N N 9 121.516 121.978 -0.462 1
1 115 . 4 1 1 A 10 10 LYS H H 10 9.251 8.552 0.699 1
1 116 . 4 1 1 A 10 10 LYS HA H 10 4.034 4.309 -0.275 1
1 123 . 4 1 1 A 10 10 LYS C C 10 179.205 175.990 3.215 1
1 124 . 4 1 1 A 10 10 LYS CA C 10 59.720 55.507 4.213 1
1 125 . 4 1 1 A 10 10 LYS CB C 10 31.834 30.963 0.871 1
1 128 . 4 1 1 A 10 10 LYS N N 10 120.915 121.363 -0.448 1
1 129 . 4 1 1 A 11 11 GLN H H 11 8.566 7.951 0.615 1
1 130 . 4 1 1 A 11 11 GLN HA H 11 4.447 4.570 -0.123 1
1 137 . 4 1 1 A 11 11 GLN C C 11 175.378 174.526 0.852 1
1 138 . 4 1 1 A 11 11 GLN CA C 11 56.019 57.092 -1.073 1
1 139 . 4 1 1 A 11 11 GLN CB C 11 29.175 31.318 -2.143 1
1 141 . 4 1 1 A 11 11 GLN N N 11 113.391 125.900 -12.509 1
1 143 . 4 1 1 A 12 12 ALA H H 12 7.186 7.538 -0.352 1
1 144 . 4 1 1 A 12 12 ALA HA H 12 4.506 4.548 -0.042 1
1 148 . 4 1 1 A 12 12 ALA C C 12 174.369 174.709 -0.340 1
1 149 . 4 1 1 A 12 12 ALA CA C 12 52.485 51.341 1.144 1
1 150 . 4 1 1 A 12 12 ALA CB C 12 21.424 22.444 -1.020 1
1 151 . 4 1 1 A 12 12 ALA N N 12 120.106 119.693 0.413 1
1 152 . 4 1 1 A 13 13 LYS H H 13 8.298 8.467 -0.169 1
1 153 . 4 1 1 A 13 13 LYS HA H 13 5.392 4.736 0.656 1
1 158 . 4 1 1 A 13 13 LYS C C 13 176.285 175.374 0.911 1
1 159 . 4 1 1 A 13 13 LYS CA C 13 55.138 55.329 -0.191 1
1 160 . 4 1 1 A 13 13 LYS CB C 13 33.656 33.752 -0.096 1
1 164 . 4 1 1 A 13 13 LYS N N 13 120.804 121.169 -0.365 1
1 165 . 4 1 1 A 14 14 GLU H H 14 8.640 8.642 -0.002 1
1 166 . 4 1 1 A 14 14 GLU HA H 14 4.879 4.901 -0.022 1
1 171 . 4 1 1 A 14 14 GLU C C 14 174.032 175.241 -1.209 1
1 172 . 4 1 1 A 14 14 GLU CA C 14 54.909 54.643 0.266 1
1 173 . 4 1 1 A 14 14 GLU CB C 14 34.407 33.215 1.192 1
1 175 . 4 1 1 A 14 14 GLU N N 14 123.450 125.919 -2.469 1
1 176 . 4 1 1 A 15 15 GLU H H 15 8.642 8.880 -0.238 1
1 177 . 4 1 1 A 15 15 GLU HA H 15 5.631 4.976 0.655 1
1 182 . 4 1 1 A 15 15 GLU C C 15 175.503 175.380 0.123 1
1 183 . 4 1 1 A 15 15 GLU CA C 15 54.638 54.908 -0.270 1
1 184 . 4 1 1 A 15 15 GLU CB C 15 34.147 31.924 2.223 1
1 186 . 4 1 1 A 15 15 GLU N N 15 120.056 123.287 -3.231 1
1 187 . 4 1 1 A 16 16 ALA H H 16 9.166 9.381 -0.215 1
1 188 . 4 1 1 A 16 16 ALA HA H 16 4.981 5.732 -0.751 1
1 192 . 4 1 1 A 16 16 ALA C C 16 175.027 176.685 -1.658 1
1 193 . 4 1 1 A 16 16 ALA CA C 16 51.324 50.109 1.215 1
1 194 . 4 1 1 A 16 16 ALA CB C 16 22.552 22.457 0.095 1
1 195 . 4 1 1 A 16 16 ALA N N 16 124.648 127.282 -2.634 1
1 196 . 4 1 1 A 17 17 ILE H H 17 8.645 9.191 -0.546 1
1 197 . 4 1 1 A 17 17 ILE HA H 17 5.672 5.515 0.157 1
1 207 . 4 1 1 A 17 17 ILE C C 17 175.737 174.521 1.216 1
1 208 . 4 1 1 A 17 17 ILE CA C 17 59.733 59.046 0.687 1
1 209 . 4 1 1 A 17 17 ILE CB C 17 42.219 42.808 -0.589 1
1 213 . 4 1 1 A 17 17 ILE N N 17 116.684 117.641 -0.957 1
1 214 . 4 1 1 A 18 18 LYS H H 18 9.243 8.541 0.702 1
1 215 . 4 1 1 A 18 18 LYS HA H 18 4.548 4.541 0.007 1
1 222 . 4 1 1 A 18 18 LYS C C 18 174.039 173.825 0.214 1
1 223 . 4 1 1 A 18 18 LYS CA C 18 54.956 55.727 -0.771 1
1 224 . 4 1 1 A 18 18 LYS CB C 18 37.101 35.891 1.210 1
1 228 . 4 1 1 A 18 18 LYS N N 18 123.578 122.047 1.531 1
1 229 . 4 1 1 A 19 19 GLU H H 19 8.812 8.631 0.181 1
1 230 . 4 1 1 A 19 19 GLU HA H 19 5.184 5.052 0.132 1
1 233 . 4 1 1 A 19 19 GLU C C 19 175.912 175.602 0.310 1
1 234 . 4 1 1 A 19 19 GLU CA C 19 55.340 54.975 0.365 1
1 235 . 4 1 1 A 19 19 GLU CB C 19 29.224 31.030 -1.806 1
1 237 . 4 1 1 A 19 19 GLU N N 19 129.720 125.877 3.843 1
1 238 . 4 1 1 A 20 20 ALA H H 20 9.425 8.964 0.461 1
1 239 . 4 1 1 A 20 20 ALA HA H 20 4.935 5.020 -0.085 1
1 243 . 4 1 1 A 20 20 ALA C C 20 177.376 176.528 0.848 1
1 244 . 4 1 1 A 20 20 ALA CA C 20 51.128 50.437 0.691 1
1 245 . 4 1 1 A 20 20 ALA CB C 20 23.405 23.734 -0.329 1
1 246 . 4 1 1 A 20 20 ALA N N 20 127.622 127.396 0.226 1
1 247 . 4 1 1 A 21 21 VAL H H 21 8.620 8.593 0.027 1
1 248 . 4 1 1 A 21 21 VAL HA H 21 4.262 4.409 -0.147 1
1 253 . 4 1 1 A 21 21 VAL C C 21 175.539 174.808 0.731 1
1 254 . 4 1 1 A 21 21 VAL CA C 21 63.598 62.118 1.480 1
1 255 . 4 1 1 A 21 21 VAL CB C 21 31.839 32.025 -0.186 1
1 257 . 4 1 1 A 21 21 VAL N N 21 115.529 117.308 -1.779 1
1 258 . 4 1 1 A 22 22 ASP H H 22 7.405 7.773 -0.368 1
1 259 . 4 1 1 A 22 22 ASP HA H 22 4.946 4.955 -0.009 1
1 262 . 4 1 1 A 22 22 ASP C C 22 174.734 174.522 0.212 1
1 263 . 4 1 1 A 22 22 ASP CA C 22 52.601 52.991 -0.390 1
1 264 . 4 1 1 A 22 22 ASP CB C 22 42.748 43.935 -1.187 1
1 265 . 4 1 1 A 22 22 ASP N N 22 115.513 121.357 -5.844 1
1 266 . 4 1 1 A 23 23 ALA H H 23 8.614 8.231 0.383 1
1 267 . 4 1 1 A 23 23 ALA HA H 23 3.294 3.858 -0.564 1
1 271 . 4 1 1 A 23 23 ALA C C 23 179.849 178.843 1.006 1
1 272 . 4 1 1 A 23 23 ALA CA C 23 54.858 52.807 2.051 1
1 273 . 4 1 1 A 23 23 ALA CB C 23 17.424 20.865 -3.441 1
1 274 . 4 1 1 A 23 23 ALA N N 23 121.829 122.447 -0.618 1
1 275 . 4 1 1 A 24 24 GLY H H 24 8.555 8.469 0.086 1
1 276 . 4 1 1 A 24 24 GLY HA2 H 24 3.851 3.859 -0.008 1
1 277 . 4 1 1 A 24 24 GLY HA3 H 24 3.851 3.875 -0.024 1
1 278 . 4 1 1 A 24 24 GLY C C 24 177.142 176.177 0.965 1
1 279 . 4 1 1 A 24 24 GLY CA C 24 46.839 46.917 -0.078 1
1 280 . 4 1 1 A 24 24 GLY N N 24 106.435 106.636 -0.201 1
1 281 . 4 1 1 A 25 25 THR H H 25 8.241 7.779 0.462 1
1 282 . 4 1 1 A 25 25 THR HA H 25 4.063 4.083 -0.020 1
1 287 . 4 1 1 A 25 25 THR C C 25 177.054 176.121 0.933 1
1 288 . 4 1 1 A 25 25 THR CA C 25 66.635 65.067 1.568 1
1 289 . 4 1 1 A 25 25 THR CB C 25 68.068 68.619 -0.551 1
1 291 . 4 1 1 A 25 25 THR N N 25 119.981 117.451 2.530 1
1 292 . 4 1 1 A 26 26 ALA H H 26 7.100 8.175 -1.075 1
1 293 . 4 1 1 A 26 26 ALA HA H 26 3.364 3.624 -0.260 1
1 297 . 4 1 1 A 26 26 ALA C C 26 177.098 178.980 -1.882 1
1 298 . 4 1 1 A 26 26 ALA CA C 26 55.502 54.894 0.608 1
1 299 . 4 1 1 A 26 26 ALA CB C 26 17.127 17.674 -0.547 1
1 300 . 4 1 1 A 26 26 ALA N N 26 124.535 123.975 0.560 1
1 301 . 4 1 1 A 27 27 GLU H H 27 8.739 7.976 0.763 1
1 302 . 4 1 1 A 27 27 GLU HA H 27 2.941 3.875 -0.934 1
1 307 . 4 1 1 A 27 27 GLU C C 27 177.368 178.417 -1.049 1
1 308 . 4 1 1 A 27 27 GLU CA C 27 60.190 59.471 0.719 1
1 309 . 4 1 1 A 27 27 GLU CB C 27 29.225 29.069 0.156 1
1 311 . 4 1 1 A 27 27 GLU N N 27 118.116 118.575 -0.459 1
1 312 . 4 1 1 A 28 28 LYS H H 28 7.333 7.537 -0.204 1
1 313 . 4 1 1 A 28 28 LYS HA H 28 3.764 4.051 -0.287 1
1 320 . 4 1 1 A 28 28 LYS C C 28 178.993 178.437 0.556 1
1 321 . 4 1 1 A 28 28 LYS CA C 28 59.881 58.716 1.165 1
1 322 . 4 1 1 A 28 28 LYS CB C 28 32.382 32.166 0.216 1
1 324 . 4 1 1 A 28 28 LYS N N 28 116.088 118.416 -2.328 1
1 325 . 4 1 1 A 29 29 TYR H H 29 7.016 8.029 -1.013 1
1 326 . 4 1 1 A 29 29 TYR HA H 29 4.273 4.203 0.070 1
1 333 . 4 1 1 A 29 29 TYR C C 29 177.581 177.578 0.003 1
1 334 . 4 1 1 A 29 29 TYR CA C 29 61.050 61.389 -0.339 1
1 335 . 4 1 1 A 29 29 TYR CB C 29 37.860 38.414 -0.554 1
1 340 . 4 1 1 A 29 29 TYR N N 29 119.155 121.769 -2.614 1
1 341 . 4 1 1 A 30 30 PHE H H 30 8.775 8.393 0.382 1
1 342 . 4 1 1 A 30 30 PHE HA H 30 4.619 4.144 0.475 1
1 349 . 4 1 1 A 30 30 PHE C C 30 178.612 177.811 0.801 1
1 350 . 4 1 1 A 30 30 PHE CA C 30 57.312 62.424 -5.112 1
1 351 . 4 1 1 A 30 30 PHE CB C 30 37.667 38.383 -0.716 1
1 356 . 4 1 1 A 30 30 PHE N N 30 118.969 118.552 0.417 1
1 357 . 4 1 1 A 31 31 LYS H H 31 8.977 8.884 0.093 1
1 358 . 4 1 1 A 31 31 LYS HA H 31 4.141 4.317 -0.176 1
1 363 . 4 1 1 A 31 31 LYS C C 31 178.781 179.103 -0.322 1
1 364 . 4 1 1 A 31 31 LYS CA C 31 59.878 59.573 0.305 1
1 365 . 4 1 1 A 31 31 LYS CB C 31 31.707 32.342 -0.635 1
1 367 . 4 1 1 A 31 31 LYS N N 31 121.474 120.494 0.980 1
1 368 . 4 1 1 A 32 32 LEU H H 32 7.215 7.841 -0.626 1
1 369 . 4 1 1 A 32 32 LEU HA H 32 4.179 4.066 0.113 1
1 376 . 4 1 1 A 32 32 LEU C C 32 180.639 179.310 1.329 1
1 377 . 4 1 1 A 32 32 LEU CA C 32 57.933 57.575 0.358 1
1 378 . 4 1 1 A 32 32 LEU CB C 32 41.283 41.644 -0.361 1
1 381 . 4 1 1 A 32 32 LEU N N 32 118.836 119.044 -0.208 1
1 382 . 4 1 1 A 33 33 ILE H H 33 7.397 7.537 -0.140 1
1 383 . 4 1 1 A 33 33 ILE HA H 33 3.896 3.901 -0.005 1
1 388 . 4 1 1 A 33 33 ILE C C 33 178.546 177.844 0.702 1
1 389 . 4 1 1 A 33 33 ILE CA C 33 63.892 63.624 0.268 1
1 390 . 4 1 1 A 33 33 ILE CB C 33 37.582 38.038 -0.456 1
1 393 . 4 1 1 A 33 33 ILE N N 33 118.838 119.800 -0.962 1
1 394 . 4 1 1 A 34 34 ALA H H 34 8.593 9.007 -0.414 1
1 395 . 4 1 1 A 34 34 ALA HA H 34 3.984 4.046 -0.062 1
1 399 . 4 1 1 A 34 34 ALA C C 34 179.571 180.461 -0.890 1
1 400 . 4 1 1 A 34 34 ALA CA C 34 55.141 55.743 -0.602 1
1 401 . 4 1 1 A 34 34 ALA CB C 34 18.671 18.579 0.092 1
1 402 . 4 1 1 A 34 34 ALA N N 34 121.471 124.137 -2.666 1
1 403 . 4 1 1 A 35 35 ASN H H 35 8.503 8.323 0.180 1
1 404 . 4 1 1 A 35 35 ASN HA H 35 4.707 4.796 -0.089 1
1 409 . 4 1 1 A 35 35 ASN C C 35 177.434 177.663 -0.229 1
1 410 . 4 1 1 A 35 35 ASN CA C 35 55.732 55.932 -0.200 1
1 411 . 4 1 1 A 35 35 ASN CB C 35 38.224 37.882 0.342 1
1 412 . 4 1 1 A 35 35 ASN N N 35 116.283 116.756 -0.473 1
1 414 . 4 1 1 A 36 36 ALA H H 36 7.610 7.405 0.205 1
1 415 . 4 1 1 A 36 36 ALA HA H 36 4.363 4.042 0.321 1
1 419 . 4 1 1 A 36 36 ALA C C 36 178.715 178.192 0.523 1
1 420 . 4 1 1 A 36 36 ALA CA C 36 54.004 54.404 -0.400 1
1 421 . 4 1 1 A 36 36 ALA CB C 36 19.224 18.292 0.932 1
1 422 . 4 1 1 A 36 36 ALA N N 36 120.620 122.266 -1.646 1
1 423 . 4 1 1 A 37 37 LYS H H 37 7.673 7.641 0.032 1
1 424 . 4 1 1 A 37 37 LYS HA H 37 4.436 4.327 0.109 1
1 431 . 4 1 1 A 37 37 LYS C C 37 175.876 176.403 -0.527 1
1 432 . 4 1 1 A 37 37 LYS CA C 37 56.284 56.781 -0.497 1
1 433 . 4 1 1 A 37 37 LYS CB C 37 34.026 34.429 -0.403 1
1 437 . 4 1 1 A 37 37 LYS N N 37 116.344 114.954 1.390 1
1 438 . 4 1 1 A 38 38 THR H H 38 8.122 8.671 -0.549 1
1 439 . 4 1 1 A 38 38 THR HA H 38 4.409 4.822 -0.413 1
1 444 . 4 1 1 A 38 38 THR C C 38 172.766 173.483 -0.717 1
1 445 . 4 1 1 A 38 38 THR CA C 38 61.468 60.570 0.898 1
1 446 . 4 1 1 A 38 38 THR CB C 38 69.124 72.472 -3.348 1
1 448 . 4 1 1 A 38 38 THR N N 38 113.585 110.661 2.924 1
1 449 . 4 1 1 A 39 39 VAL H H 39 8.254 8.242 0.012 1
1 450 . 4 1 1 A 39 39 VAL HA H 39 4.399 4.461 -0.062 1
1 455 . 4 1 1 A 39 39 VAL C C 39 176.183 174.429 1.754 1
1 456 . 4 1 1 A 39 39 VAL CA C 39 62.431 61.248 1.183 1
1 457 . 4 1 1 A 39 39 VAL CB C 39 32.795 32.134 0.661 1
1 459 . 4 1 1 A 39 39 VAL N N 39 120.756 120.521 0.235 1
1 460 . 4 1 1 A 40 40 GLU H H 40 8.732 7.722 1.010 1
1 461 . 4 1 1 A 40 40 GLU HA H 40 4.711 4.784 -0.073 1
1 464 . 4 1 1 A 40 40 GLU C C 40 175.571 175.160 0.411 1
1 465 . 4 1 1 A 40 40 GLU CA C 40 55.569 56.251 -0.682 1
1 466 . 4 1 1 A 40 40 GLU CB C 40 30.469 32.825 -2.356 1
1 468 . 4 1 1 A 40 40 GLU N N 40 124.791 121.870 2.921 1
1 469 . 4 1 1 A 41 41 GLY H H 41 8.145 8.467 -0.322 1
1 470 . 4 1 1 A 41 41 GLY HA2 H 41 4.236 4.178 0.058 1
1 471 . 4 1 1 A 41 41 GLY HA3 H 41 3.589 4.194 -0.605 1
1 472 . 4 1 1 A 41 41 GLY C C 41 172.517 172.878 -0.361 1
1 473 . 4 1 1 A 41 41 GLY CA C 41 45.203 45.517 -0.314 1
1 474 . 4 1 1 A 41 41 GLY N N 41 107.758 111.784 -4.026 1
1 475 . 4 1 1 A 42 42 VAL H H 42 8.490 9.081 -0.591 1
1 476 . 4 1 1 A 42 42 VAL HA H 42 4.525 5.019 -0.494 1
1 481 . 4 1 1 A 42 42 VAL C C 42 176.739 174.974 1.765 1
1 482 . 4 1 1 A 42 42 VAL CA C 42 62.354 60.727 1.627 1
1 483 . 4 1 1 A 42 42 VAL CB C 42 33.355 33.204 0.151 1
1 485 . 4 1 1 A 42 42 VAL N N 42 121.959 115.696 6.263 1
1 486 . 4 1 1 A 43 43 TRP H H 43 9.465 9.059 0.406 1
1 487 . 4 1 1 A 43 43 TRP HA H 43 5.375 5.347 0.028 1
1 495 . 4 1 1 A 43 43 TRP C C 43 177.127 176.562 0.565 1
1 496 . 4 1 1 A 43 43 TRP CA C 43 58.056 57.363 0.693 1
1 497 . 4 1 1 A 43 43 TRP CB C 43 29.740 30.709 -0.969 1
1 502 . 4 1 1 A 43 43 TRP N N 43 130.804 128.450 2.354 1
1 504 . 4 1 1 A 44 44 THR H H 44 9.380 8.510 0.870 1
1 505 . 4 1 1 A 44 44 THR HA H 44 4.908 5.188 -0.280 1
1 510 . 4 1 1 A 44 44 THR C C 44 172.803 172.592 0.211 1
1 511 . 4 1 1 A 44 44 THR CA C 44 61.075 60.639 0.436 1
1 512 . 4 1 1 A 44 44 THR CB C 44 72.681 72.043 0.638 1
1 514 . 4 1 1 A 44 44 THR N N 44 115.117 114.145 0.972 1
1 515 . 4 1 1 A 45 45 TYR H H 45 8.773 8.994 -0.221 1
1 516 . 4 1 1 A 45 45 TYR HA H 45 5.143 5.601 -0.458 1
1 521 . 4 1 1 A 45 45 TYR C C 45 174.047 173.234 0.813 1
1 522 . 4 1 1 A 45 45 TYR CA C 45 57.154 56.951 0.203 1
1 523 . 4 1 1 A 45 45 TYR CB C 45 41.212 42.377 -1.165 1
1 526 . 4 1 1 A 45 45 TYR N N 45 121.946 123.809 -1.863 1
1 527 . 4 1 1 A 46 46 LYS H H 46 7.505 8.224 -0.719 1
1 528 . 4 1 1 A 46 46 LYS HA H 46 4.457 4.595 -0.138 1
1 533 . 4 1 1 A 46 46 LYS C C 46 175.444 175.050 0.394 1
1 534 . 4 1 1 A 46 46 LYS CA C 46 53.992 53.900 0.092 1
1 535 . 4 1 1 A 46 46 LYS CB C 46 33.875 35.128 -1.253 1
1 539 . 4 1 1 A 46 46 LYS N N 46 128.658 128.356 0.302 1
1 540 . 4 1 1 A 47 47 ASP H H 47 8.807 8.767 0.040 1
1 541 . 4 1 1 A 47 47 ASP HA H 47 4.135 3.998 0.137 1
1 544 . 4 1 1 A 47 47 ASP C C 47 179.380 177.517 1.863 1
1 545 . 4 1 1 A 47 47 ASP CA C 47 57.464 56.632 0.832 1
1 546 . 4 1 1 A 47 47 ASP CB C 47 42.288 40.763 1.525 1
1 547 . 4 1 1 A 47 47 ASP N N 47 126.643 126.841 -0.198 1
1 548 . 4 1 1 A 48 48 GLU H H 48 9.909 7.862 2.047 1
1 549 . 4 1 1 A 48 48 GLU HA H 48 4.172 4.039 0.133 1
1 554 . 4 1 1 A 48 48 GLU C C 48 177.317 177.525 -0.208 1
1 555 . 4 1 1 A 48 48 GLU CA C 48 59.979 58.732 1.247 1
1 556 . 4 1 1 A 48 48 GLU CB C 48 28.699 29.615 -0.916 1
1 558 . 4 1 1 A 48 48 GLU N N 48 118.400 117.794 0.606 1
1 559 . 4 1 1 A 49 49 ILE H H 49 6.510 7.396 -0.886 1
1 560 . 4 1 1 A 49 49 ILE HA H 49 4.697 4.209 0.488 1
1 568 . 4 1 1 A 49 49 ILE C C 49 175.868 175.342 0.526 1
1 569 . 4 1 1 A 49 49 ILE CA C 49 60.318 60.987 -0.669 1
1 570 . 4 1 1 A 49 49 ILE CB C 49 38.324 38.981 -0.657 1
1 574 . 4 1 1 A 49 49 ILE N N 49 105.782 116.773 -10.991 1
1 575 . 4 1 1 A 50 50 LYS H H 50 7.991 7.570 0.421 1
1 576 . 4 1 1 A 50 50 LYS HA H 50 4.336 3.804 0.532 1
1 581 . 4 1 1 A 50 50 LYS C C 50 174.829 174.979 -0.150 1
1 582 . 4 1 1 A 50 50 LYS CA C 50 55.959 57.096 -1.137 1
1 583 . 4 1 1 A 50 50 LYS CB C 50 29.232 30.217 -0.985 1
1 585 . 4 1 1 A 50 50 LYS N N 50 124.329 119.623 4.706 1
1 586 . 4 1 1 A 51 51 THR H H 51 7.174 6.846 0.328 1
1 587 . 4 1 1 A 51 51 THR HA H 51 5.774 5.276 0.498 1
1 592 . 4 1 1 A 51 51 THR C C 51 173.893 172.784 1.109 1
1 593 . 4 1 1 A 51 51 THR CA C 51 62.217 60.065 2.152 1
1 594 . 4 1 1 A 51 51 THR CB C 51 73.248 72.198 1.050 1
1 596 . 4 1 1 A 51 51 THR N N 51 109.849 108.705 1.144 1
1 597 . 4 1 1 A 52 52 PHE H H 52 10.338 9.528 0.810 1
1 598 . 4 1 1 A 52 52 PHE HA H 52 5.693 6.024 -0.331 1
1 605 . 4 1 1 A 52 52 PHE C C 52 174.361 175.177 -0.816 1
1 606 . 4 1 1 A 52 52 PHE CA C 52 57.260 56.835 0.425 1
1 607 . 4 1 1 A 52 52 PHE CB C 52 42.130 42.172 -0.042 1
1 612 . 4 1 1 A 52 52 PHE N N 52 130.662 120.326 10.336 1
1 613 . 4 1 1 A 53 53 THR H H 53 9.262 9.157 0.105 1
1 614 . 4 1 1 A 53 53 THR HA H 53 5.288 4.921 0.367 1
1 619 . 4 1 1 A 53 53 THR C C 53 172.678 173.290 -0.612 1
1 620 . 4 1 1 A 53 53 THR CA C 53 61.511 61.212 0.299 1
1 621 . 4 1 1 A 53 53 THR CB C 53 70.861 72.241 -1.380 1
1 623 . 4 1 1 A 53 53 THR N N 53 118.205 114.974 3.231 1
1 624 . 4 1 1 A 54 54 VAL H H 54 8.628 8.955 -0.327 1
1 625 . 4 1 1 A 54 54 VAL HA H 54 4.599 4.999 -0.400 1
1 633 . 4 1 1 A 54 54 VAL C C 54 174.090 174.257 -0.167 1
1 634 . 4 1 1 A 54 54 VAL CA C 54 59.646 60.169 -0.523 1
1 635 . 4 1 1 A 54 54 VAL CB C 54 32.737 33.594 -0.857 1
1 637 . 4 1 1 A 54 54 VAL N N 54 125.183 123.518 1.665 1
1 638 . 4 1 1 A 55 55 THR H H 55 8.434 8.656 -0.222 1
1 639 . 4 1 1 A 55 55 THR HA H 55 4.951 4.965 -0.014 1
1 644 . 4 1 1 A 55 55 THR C C 55 173.695 172.975 0.720 1
1 645 . 4 1 1 A 55 55 THR CA C 55 61.219 61.566 -0.347 1
1 646 . 4 1 1 A 55 55 THR CB C 55 71.454 69.847 1.607 1
1 648 . 4 1 1 A 55 55 THR N N 55 122.255 124.079 -1.824 1
1 9 . 5 1 1 A 2 2 THR H H 2 8.931 7.513 1.418 1
1 10 . 5 1 1 A 2 2 THR HA H 2 4.504 4.970 -0.466 1
1 15 . 5 1 1 A 2 2 THR C C 2 172.828 172.795 0.033 1
1 16 . 5 1 1 A 2 2 THR CA C 2 63.506 61.490 2.016 1
1 17 . 5 1 1 A 2 2 THR CB C 2 68.833 70.950 -2.117 1
1 19 . 5 1 1 A 2 2 THR N N 2 124.414 114.580 9.834 1
1 20 . 5 1 1 A 3 3 TYR H H 3 9.041 8.836 0.205 1
1 21 . 5 1 1 A 3 3 TYR HA H 3 5.453 5.663 -0.210 1
1 26 . 5 1 1 A 3 3 TYR C C 3 174.672 175.663 -0.991 1
1 27 . 5 1 1 A 3 3 TYR CA C 3 57.886 57.142 0.744 1
1 28 . 5 1 1 A 3 3 TYR CB C 3 42.295 41.506 0.789 1
1 31 . 5 1 1 A 3 3 TYR N N 3 127.469 126.056 1.413 1
1 32 . 5 1 1 A 4 4 LYS H H 4 9.046 8.635 0.411 1
1 33 . 5 1 1 A 4 4 LYS HA H 4 5.547 5.419 0.128 1
1 40 . 5 1 1 A 4 4 LYS C C 4 173.092 175.009 -1.917 1
1 41 . 5 1 1 A 4 4 LYS CA C 4 55.112 54.930 0.182 1
1 42 . 5 1 1 A 4 4 LYS CB C 4 35.889 36.382 -0.493 1
1 46 . 5 1 1 A 4 4 LYS N N 4 121.164 121.316 -0.152 1
1 47 . 5 1 1 A 5 5 LEU H H 5 9.017 9.531 -0.514 1
1 48 . 5 1 1 A 5 5 LEU HA H 5 5.095 5.419 -0.324 1
1 58 . 5 1 1 A 5 5 LEU C C 5 174.914 174.311 0.603 1
1 59 . 5 1 1 A 5 5 LEU CA C 5 52.648 53.593 -0.945 1
1 60 . 5 1 1 A 5 5 LEU CB C 5 43.729 45.047 -1.318 1
1 63 . 5 1 1 A 5 5 LEU N N 5 126.371 123.793 2.578 1
1 64 . 5 1 1 A 6 6 ILE H H 6 9.129 8.948 0.181 1
1 65 . 5 1 1 A 6 6 ILE HA H 6 4.502 4.664 -0.162 1
1 70 . 5 1 1 A 6 6 ILE C C 6 174.654 174.414 0.240 1
1 71 . 5 1 1 A 6 6 ILE CA C 6 60.366 60.252 0.114 1
1 72 . 5 1 1 A 6 6 ILE CB C 6 38.760 38.654 0.106 1
1 76 . 5 1 1 A 6 6 ILE N N 6 126.264 126.834 -0.570 1
1 77 . 5 1 1 A 7 7 LEU H H 7 8.956 9.286 -0.330 1
1 78 . 5 1 1 A 7 7 LEU HA H 7 4.570 4.924 -0.354 1
1 84 . 5 1 1 A 7 7 LEU C C 7 174.493 175.513 -1.020 1
1 85 . 5 1 1 A 7 7 LEU CA C 7 53.644 53.620 0.024 1
1 86 . 5 1 1 A 7 7 LEU CB C 7 41.339 43.337 -1.998 1
1 89 . 5 1 1 A 7 7 LEU N N 7 126.422 128.696 -2.274 1
1 90 . 5 1 1 A 8 8 ASN H H 8 9.065 8.698 0.367 1
1 91 . 5 1 1 A 8 8 ASN HA H 8 5.181 5.269 -0.088 1
1 96 . 5 1 1 A 8 8 ASN C C 8 174.434 174.066 0.368 1
1 97 . 5 1 1 A 8 8 ASN CA C 8 51.851 51.947 -0.096 1
1 98 . 5 1 1 A 8 8 ASN CB C 8 37.869 40.459 -2.590 1
1 99 . 5 1 1 A 8 8 ASN N N 8 125.633 124.060 1.573 1
1 101 . 5 1 1 A 9 9 LEU H H 9 7.720 8.725 -1.005 1
1 102 . 5 1 1 A 9 9 LEU HA H 9 4.754 5.067 -0.313 1
1 109 . 5 1 1 A 9 9 LEU C C 9 177.207 176.330 0.877 1
1 110 . 5 1 1 A 9 9 LEU CA C 9 53.431 52.369 1.062 1
1 111 . 5 1 1 A 9 9 LEU CB C 9 41.451 44.990 -3.539 1
1 114 . 5 1 1 A 9 9 LEU N N 9 121.516 122.756 -1.240 1
1 115 . 5 1 1 A 10 10 LYS H H 10 9.251 8.567 0.684 1
1 116 . 5 1 1 A 10 10 LYS HA H 10 4.034 4.370 -0.336 1
1 123 . 5 1 1 A 10 10 LYS C C 10 179.205 174.990 4.215 1
1 124 . 5 1 1 A 10 10 LYS CA C 10 59.720 56.153 3.567 1
1 125 . 5 1 1 A 10 10 LYS CB C 10 31.834 30.383 1.451 1
1 128 . 5 1 1 A 10 10 LYS N N 10 120.915 116.499 4.416 1
1 129 . 5 1 1 A 11 11 GLN H H 11 8.566 7.870 0.696 1
1 130 . 5 1 1 A 11 11 GLN HA H 11 4.447 4.575 -0.128 1
1 137 . 5 1 1 A 11 11 GLN C C 11 175.378 175.264 0.114 1
1 138 . 5 1 1 A 11 11 GLN CA C 11 56.019 55.060 0.959 1
1 139 . 5 1 1 A 11 11 GLN CB C 11 29.175 29.899 -0.724 1
1 141 . 5 1 1 A 11 11 GLN N N 11 113.391 119.512 -6.121 1
1 143 . 5 1 1 A 12 12 ALA H H 12 7.186 8.387 -1.201 1
1 144 . 5 1 1 A 12 12 ALA HA H 12 4.506 4.083 0.423 1
1 148 . 5 1 1 A 12 12 ALA C C 12 174.369 175.842 -1.473 1
1 149 . 5 1 1 A 12 12 ALA CA C 12 52.485 54.278 -1.793 1
1 150 . 5 1 1 A 12 12 ALA CB C 12 21.424 18.094 3.330 1
1 151 . 5 1 1 A 12 12 ALA N N 12 120.106 126.349 -6.243 1
1 152 . 5 1 1 A 13 13 LYS H H 13 8.298 8.560 -0.262 1
1 153 . 5 1 1 A 13 13 LYS HA H 13 5.392 4.950 0.442 1
1 158 . 5 1 1 A 13 13 LYS C C 13 176.285 174.975 1.310 1
1 159 . 5 1 1 A 13 13 LYS CA C 13 55.138 54.737 0.401 1
1 160 . 5 1 1 A 13 13 LYS CB C 13 33.656 35.619 -1.963 1
1 164 . 5 1 1 A 13 13 LYS N N 13 120.804 121.963 -1.159 1
1 165 . 5 1 1 A 14 14 GLU H H 14 8.640 8.764 -0.124 1
1 166 . 5 1 1 A 14 14 GLU HA H 14 4.879 4.920 -0.041 1
1 171 . 5 1 1 A 14 14 GLU C C 14 174.032 175.363 -1.331 1
1 172 . 5 1 1 A 14 14 GLU CA C 14 54.909 54.628 0.281 1
1 173 . 5 1 1 A 14 14 GLU CB C 14 34.407 33.106 1.301 1
1 175 . 5 1 1 A 14 14 GLU N N 14 123.450 125.416 -1.966 1
1 176 . 5 1 1 A 15 15 GLU H H 15 8.642 8.952 -0.310 1
1 177 . 5 1 1 A 15 15 GLU HA H 15 5.631 5.001 0.630 1
1 182 . 5 1 1 A 15 15 GLU C C 15 175.503 175.296 0.207 1
1 183 . 5 1 1 A 15 15 GLU CA C 15 54.638 54.881 -0.243 1
1 184 . 5 1 1 A 15 15 GLU CB C 15 34.147 32.468 1.679 1
1 186 . 5 1 1 A 15 15 GLU N N 15 120.056 122.913 -2.857 1
1 187 . 5 1 1 A 16 16 ALA H H 16 9.166 9.473 -0.307 1
1 188 . 5 1 1 A 16 16 ALA HA H 16 4.981 5.630 -0.649 1
1 192 . 5 1 1 A 16 16 ALA C C 16 175.027 176.737 -1.710 1
1 193 . 5 1 1 A 16 16 ALA CA C 16 51.324 50.129 1.195 1
1 194 . 5 1 1 A 16 16 ALA CB C 16 22.552 21.864 0.688 1
1 195 . 5 1 1 A 16 16 ALA N N 16 124.648 126.679 -2.031 1
1 196 . 5 1 1 A 17 17 ILE H H 17 8.645 9.116 -0.471 1
1 197 . 5 1 1 A 17 17 ILE HA H 17 5.672 5.542 0.130 1
1 207 . 5 1 1 A 17 17 ILE C C 17 175.737 174.655 1.082 1
1 208 . 5 1 1 A 17 17 ILE CA C 17 59.733 58.871 0.862 1
1 209 . 5 1 1 A 17 17 ILE CB C 17 42.219 42.668 -0.449 1
1 213 . 5 1 1 A 17 17 ILE N N 17 116.684 117.617 -0.933 1
1 214 . 5 1 1 A 18 18 LYS H H 18 9.243 8.526 0.717 1
1 215 . 5 1 1 A 18 18 LYS HA H 18 4.548 4.626 -0.078 1
1 222 . 5 1 1 A 18 18 LYS C C 18 174.039 174.192 -0.153 1
1 223 . 5 1 1 A 18 18 LYS CA C 18 54.956 55.695 -0.739 1
1 224 . 5 1 1 A 18 18 LYS CB C 18 37.101 36.209 0.892 1
1 228 . 5 1 1 A 18 18 LYS N N 18 123.578 122.191 1.387 1
1 229 . 5 1 1 A 19 19 GLU H H 19 8.812 8.550 0.262 1
1 230 . 5 1 1 A 19 19 GLU HA H 19 5.184 5.014 0.170 1
1 233 . 5 1 1 A 19 19 GLU C C 19 175.912 175.785 0.127 1
1 234 . 5 1 1 A 19 19 GLU CA C 19 55.340 55.414 -0.074 1
1 235 . 5 1 1 A 19 19 GLU CB C 19 29.224 31.009 -1.785 1
1 237 . 5 1 1 A 19 19 GLU N N 19 129.720 125.378 4.342 1
1 238 . 5 1 1 A 20 20 ALA H H 20 9.425 8.162 1.263 1
1 239 . 5 1 1 A 20 20 ALA HA H 20 4.935 4.960 -0.025 1
1 243 . 5 1 1 A 20 20 ALA C C 20 177.376 178.239 -0.863 1
1 244 . 5 1 1 A 20 20 ALA CA C 20 51.128 50.938 0.190 1
1 245 . 5 1 1 A 20 20 ALA CB C 20 23.405 22.431 0.974 1
1 246 . 5 1 1 A 20 20 ALA N N 20 127.622 127.448 0.174 1
1 247 . 5 1 1 A 21 21 VAL H H 21 8.620 8.651 -0.031 1
1 248 . 5 1 1 A 21 21 VAL HA H 21 4.262 3.855 0.407 1
1 253 . 5 1 1 A 21 21 VAL C C 21 175.539 175.913 -0.374 1
1 254 . 5 1 1 A 21 21 VAL CA C 21 63.598 65.074 -1.476 1
1 255 . 5 1 1 A 21 21 VAL CB C 21 31.839 31.815 0.024 1
1 257 . 5 1 1 A 21 21 VAL N N 21 115.529 120.458 -4.929 1
1 258 . 5 1 1 A 22 22 ASP H H 22 7.405 7.980 -0.575 1
1 259 . 5 1 1 A 22 22 ASP HA H 22 4.946 5.080 -0.134 1
1 262 . 5 1 1 A 22 22 ASP C C 22 174.734 176.348 -1.614 1
1 263 . 5 1 1 A 22 22 ASP CA C 22 52.601 51.794 0.807 1
1 264 . 5 1 1 A 22 22 ASP CB C 22 42.748 42.443 0.305 1
1 265 . 5 1 1 A 22 22 ASP N N 22 115.513 119.752 -4.239 1
1 266 . 5 1 1 A 23 23 ALA H H 23 8.614 8.487 0.127 1
1 267 . 5 1 1 A 23 23 ALA HA H 23 3.294 3.609 -0.315 1
1 271 . 5 1 1 A 23 23 ALA C C 23 179.849 179.318 0.531 1
1 272 . 5 1 1 A 23 23 ALA CA C 23 54.858 53.560 1.298 1
1 273 . 5 1 1 A 23 23 ALA CB C 23 17.424 19.365 -1.941 1
1 274 . 5 1 1 A 23 23 ALA N N 23 121.829 121.061 0.768 1
1 275 . 5 1 1 A 24 24 GLY H H 24 8.555 8.422 0.133 1
1 276 . 5 1 1 A 24 24 GLY HA2 H 24 3.851 3.813 0.038 1
1 277 . 5 1 1 A 24 24 GLY HA3 H 24 3.851 3.830 0.021 1
1 278 . 5 1 1 A 24 24 GLY C C 24 177.142 176.656 0.486 1
1 279 . 5 1 1 A 24 24 GLY CA C 24 46.839 46.836 0.003 1
1 280 . 5 1 1 A 24 24 GLY N N 24 106.435 106.303 0.132 1
1 281 . 5 1 1 A 25 25 THR H H 25 8.241 7.593 0.648 1
1 282 . 5 1 1 A 25 25 THR HA H 25 4.063 4.054 0.009 1
1 287 . 5 1 1 A 25 25 THR C C 25 177.054 175.889 1.165 1
1 288 . 5 1 1 A 25 25 THR CA C 25 66.635 65.266 1.369 1
1 289 . 5 1 1 A 25 25 THR CB C 25 68.068 68.578 -0.510 1
1 291 . 5 1 1 A 25 25 THR N N 25 119.981 117.587 2.394 1
1 292 . 5 1 1 A 26 26 ALA H H 26 7.100 7.896 -0.796 1
1 293 . 5 1 1 A 26 26 ALA HA H 26 3.364 3.654 -0.290 1
1 297 . 5 1 1 A 26 26 ALA C C 26 177.098 179.275 -2.177 1
1 298 . 5 1 1 A 26 26 ALA CA C 26 55.502 54.722 0.780 1
1 299 . 5 1 1 A 26 26 ALA CB C 26 17.127 17.552 -0.425 1
1 300 . 5 1 1 A 26 26 ALA N N 26 124.535 123.710 0.825 1
1 301 . 5 1 1 A 27 27 GLU H H 27 8.739 8.498 0.241 1
1 302 . 5 1 1 A 27 27 GLU HA H 27 2.941 3.952 -1.011 1
1 307 . 5 1 1 A 27 27 GLU C C 27 177.368 178.596 -1.228 1
1 308 . 5 1 1 A 27 27 GLU CA C 27 60.190 59.547 0.643 1
1 309 . 5 1 1 A 27 27 GLU CB C 27 29.225 29.073 0.152 1
1 311 . 5 1 1 A 27 27 GLU N N 27 118.116 118.509 -0.393 1
1 312 . 5 1 1 A 28 28 LYS H H 28 7.333 7.528 -0.195 1
1 313 . 5 1 1 A 28 28 LYS HA H 28 3.764 4.076 -0.312 1
1 320 . 5 1 1 A 28 28 LYS C C 28 178.993 178.434 0.559 1
1 321 . 5 1 1 A 28 28 LYS CA C 28 59.881 58.756 1.125 1
1 322 . 5 1 1 A 28 28 LYS CB C 28 32.382 32.101 0.281 1
1 324 . 5 1 1 A 28 28 LYS N N 28 116.088 118.438 -2.350 1
1 325 . 5 1 1 A 29 29 TYR H H 29 7.016 7.927 -0.911 1
1 326 . 5 1 1 A 29 29 TYR HA H 29 4.273 4.211 0.062 1
1 333 . 5 1 1 A 29 29 TYR C C 29 177.581 177.575 0.006 1
1 334 . 5 1 1 A 29 29 TYR CA C 29 61.050 61.358 -0.308 1
1 335 . 5 1 1 A 29 29 TYR CB C 29 37.860 38.410 -0.550 1
1 340 . 5 1 1 A 29 29 TYR N N 29 119.155 121.839 -2.684 1
1 341 . 5 1 1 A 30 30 PHE H H 30 8.775 8.616 0.159 1
1 342 . 5 1 1 A 30 30 PHE HA H 30 4.619 4.124 0.495 1
1 349 . 5 1 1 A 30 30 PHE C C 30 178.612 177.797 0.815 1
1 350 . 5 1 1 A 30 30 PHE CA C 30 57.312 62.345 -5.033 1
1 351 . 5 1 1 A 30 30 PHE CB C 30 37.667 38.433 -0.766 1
1 356 . 5 1 1 A 30 30 PHE N N 30 118.969 118.762 0.207 1
1 357 . 5 1 1 A 31 31 LYS H H 31 8.977 8.884 0.093 1
1 358 . 5 1 1 A 31 31 LYS HA H 31 4.141 4.309 -0.168 1
1 363 . 5 1 1 A 31 31 LYS C C 31 178.781 179.219 -0.438 1
1 364 . 5 1 1 A 31 31 LYS CA C 31 59.878 59.724 0.154 1
1 365 . 5 1 1 A 31 31 LYS CB C 31 31.707 32.416 -0.709 1
1 367 . 5 1 1 A 31 31 LYS N N 31 121.474 120.616 0.858 1
1 368 . 5 1 1 A 32 32 LEU H H 32 7.215 7.818 -0.603 1
1 369 . 5 1 1 A 32 32 LEU HA H 32 4.179 4.024 0.155 1
1 376 . 5 1 1 A 32 32 LEU C C 32 180.639 179.442 1.197 1
1 377 . 5 1 1 A 32 32 LEU CA C 32 57.933 57.973 -0.040 1
1 378 . 5 1 1 A 32 32 LEU CB C 32 41.283 41.544 -0.261 1
1 381 . 5 1 1 A 32 32 LEU N N 32 118.836 119.163 -0.327 1
1 382 . 5 1 1 A 33 33 ILE H H 33 7.397 7.560 -0.163 1
1 383 . 5 1 1 A 33 33 ILE HA H 33 3.896 3.866 0.030 1
1 388 . 5 1 1 A 33 33 ILE C C 33 178.546 177.834 0.712 1
1 389 . 5 1 1 A 33 33 ILE CA C 33 63.892 63.775 0.117 1
1 390 . 5 1 1 A 33 33 ILE CB C 33 37.582 37.803 -0.221 1
1 393 . 5 1 1 A 33 33 ILE N N 33 118.838 119.781 -0.943 1
1 394 . 5 1 1 A 34 34 ALA H H 34 8.593 8.825 -0.232 1
1 395 . 5 1 1 A 34 34 ALA HA H 34 3.984 3.986 -0.002 1
1 399 . 5 1 1 A 34 34 ALA C C 34 179.571 180.428 -0.857 1
1 400 . 5 1 1 A 34 34 ALA CA C 34 55.141 55.657 -0.516 1
1 401 . 5 1 1 A 34 34 ALA CB C 34 18.671 18.371 0.300 1
1 402 . 5 1 1 A 34 34 ALA N N 34 121.471 124.073 -2.602 1
1 403 . 5 1 1 A 35 35 ASN H H 35 8.503 8.512 -0.009 1
1 404 . 5 1 1 A 35 35 ASN HA H 35 4.707 4.571 0.136 1
1 409 . 5 1 1 A 35 35 ASN C C 35 177.434 176.723 0.711 1
1 410 . 5 1 1 A 35 35 ASN CA C 35 55.732 56.061 -0.329 1
1 411 . 5 1 1 A 35 35 ASN CB C 35 38.224 38.297 -0.073 1
1 412 . 5 1 1 A 35 35 ASN N N 35 116.283 116.777 -0.494 1
1 414 . 5 1 1 A 36 36 ALA H H 36 7.610 7.385 0.225 1
1 415 . 5 1 1 A 36 36 ALA HA H 36 4.363 4.228 0.135 1
1 419 . 5 1 1 A 36 36 ALA C C 36 178.715 177.867 0.848 1
1 420 . 5 1 1 A 36 36 ALA CA C 36 54.004 52.288 1.716 1
1 421 . 5 1 1 A 36 36 ALA CB C 36 19.224 19.121 0.103 1
1 422 . 5 1 1 A 36 36 ALA N N 36 120.620 120.858 -0.238 1
1 423 . 5 1 1 A 37 37 LYS H H 37 7.673 8.065 -0.392 1
1 424 . 5 1 1 A 37 37 LYS HA H 37 4.436 4.365 0.071 1
1 431 . 5 1 1 A 37 37 LYS C C 37 175.876 178.066 -2.190 1
1 432 . 5 1 1 A 37 37 LYS CA C 37 56.284 57.066 -0.782 1
1 433 . 5 1 1 A 37 37 LYS CB C 37 34.026 33.955 0.071 1
1 437 . 5 1 1 A 37 37 LYS N N 37 116.344 115.868 0.476 1
1 438 . 5 1 1 A 38 38 THR H H 38 8.122 7.770 0.352 1
1 439 . 5 1 1 A 38 38 THR HA H 38 4.409 4.537 -0.128 1
1 444 . 5 1 1 A 38 38 THR C C 38 172.766 175.609 -2.843 1
1 445 . 5 1 1 A 38 38 THR CA C 38 61.468 62.130 -0.662 1
1 446 . 5 1 1 A 38 38 THR CB C 38 69.124 71.096 -1.972 1
1 448 . 5 1 1 A 38 38 THR N N 38 113.585 107.220 6.365 1
1 449 . 5 1 1 A 39 39 VAL H H 39 8.254 7.568 0.686 1
1 450 . 5 1 1 A 39 39 VAL HA H 39 4.399 3.713 0.686 1
1 455 . 5 1 1 A 39 39 VAL C C 39 176.183 174.481 1.702 1
1 456 . 5 1 1 A 39 39 VAL CA C 39 62.431 63.672 -1.241 1
1 457 . 5 1 1 A 39 39 VAL CB C 39 32.795 29.541 3.254 1
1 459 . 5 1 1 A 39 39 VAL N N 39 120.756 117.186 3.570 1
1 460 . 5 1 1 A 40 40 GLU H H 40 8.732 7.849 0.883 1
1 461 . 5 1 1 A 40 40 GLU HA H 40 4.711 4.783 -0.072 1
1 464 . 5 1 1 A 40 40 GLU C C 40 175.571 175.143 0.428 1
1 465 . 5 1 1 A 40 40 GLU CA C 40 55.569 56.196 -0.627 1
1 466 . 5 1 1 A 40 40 GLU CB C 40 30.469 32.708 -2.239 1
1 468 . 5 1 1 A 40 40 GLU N N 40 124.791 120.335 4.456 1
1 469 . 5 1 1 A 41 41 GLY H H 41 8.145 8.460 -0.315 1
1 470 . 5 1 1 A 41 41 GLY HA2 H 41 4.236 4.161 0.075 1
1 471 . 5 1 1 A 41 41 GLY HA3 H 41 3.589 4.186 -0.597 1
1 472 . 5 1 1 A 41 41 GLY C C 41 172.517 171.816 0.701 1
1 473 . 5 1 1 A 41 41 GLY CA C 41 45.203 45.326 -0.123 1
1 474 . 5 1 1 A 41 41 GLY N N 41 107.758 111.050 -3.292 1
1 475 . 5 1 1 A 42 42 VAL H H 42 8.490 8.520 -0.030 1
1 476 . 5 1 1 A 42 42 VAL HA H 42 4.525 4.749 -0.224 1
1 481 . 5 1 1 A 42 42 VAL C C 42 176.739 175.990 0.749 1
1 482 . 5 1 1 A 42 42 VAL CA C 42 62.354 61.574 0.780 1
1 483 . 5 1 1 A 42 42 VAL CB C 42 33.355 32.736 0.619 1
1 485 . 5 1 1 A 42 42 VAL N N 42 121.959 119.531 2.428 1
1 486 . 5 1 1 A 43 43 TRP H H 43 9.465 8.986 0.479 1
1 487 . 5 1 1 A 43 43 TRP HA H 43 5.375 5.120 0.255 1
1 495 . 5 1 1 A 43 43 TRP C C 43 177.127 176.458 0.669 1
1 496 . 5 1 1 A 43 43 TRP CA C 43 58.056 57.808 0.248 1
1 497 . 5 1 1 A 43 43 TRP CB C 43 29.740 30.656 -0.916 1
1 502 . 5 1 1 A 43 43 TRP N N 43 130.804 129.095 1.709 1
1 504 . 5 1 1 A 44 44 THR H H 44 9.380 8.589 0.791 1
1 505 . 5 1 1 A 44 44 THR HA H 44 4.908 5.319 -0.411 1
1 510 . 5 1 1 A 44 44 THR C C 44 172.803 172.736 0.067 1
1 511 . 5 1 1 A 44 44 THR CA C 44 61.075 60.756 0.319 1
1 512 . 5 1 1 A 44 44 THR CB C 44 72.681 72.257 0.424 1
1 514 . 5 1 1 A 44 44 THR N N 44 115.117 113.909 1.208 1
1 515 . 5 1 1 A 45 45 TYR H H 45 8.773 8.962 -0.189 1
1 516 . 5 1 1 A 45 45 TYR HA H 45 5.143 5.735 -0.592 1
1 521 . 5 1 1 A 45 45 TYR C C 45 174.047 173.191 0.856 1
1 522 . 5 1 1 A 45 45 TYR CA C 45 57.154 56.923 0.231 1
1 523 . 5 1 1 A 45 45 TYR CB C 45 41.212 42.623 -1.411 1
1 526 . 5 1 1 A 45 45 TYR N N 45 121.946 123.170 -1.224 1
1 527 . 5 1 1 A 46 46 LYS H H 46 7.505 8.680 -1.175 1
1 528 . 5 1 1 A 46 46 LYS HA H 46 4.457 4.690 -0.233 1
1 533 . 5 1 1 A 46 46 LYS C C 46 175.444 173.889 1.555 1
1 534 . 5 1 1 A 46 46 LYS CA C 46 53.992 53.586 0.406 1
1 535 . 5 1 1 A 46 46 LYS CB C 46 33.875 35.883 -2.008 1
1 539 . 5 1 1 A 46 46 LYS N N 46 128.658 126.975 1.683 1
1 540 . 5 1 1 A 47 47 ASP H H 47 8.807 8.574 0.233 1
1 541 . 5 1 1 A 47 47 ASP HA H 47 4.135 4.673 -0.538 1
1 544 . 5 1 1 A 47 47 ASP C C 47 179.380 176.015 3.365 1
1 545 . 5 1 1 A 47 47 ASP CA C 47 57.464 53.619 3.845 1
1 546 . 5 1 1 A 47 47 ASP CB C 47 42.288 41.586 0.702 1
1 547 . 5 1 1 A 47 47 ASP N N 47 126.643 125.847 0.796 1
1 548 . 5 1 1 A 48 48 GLU H H 48 9.909 8.692 1.217 1
1 549 . 5 1 1 A 48 48 GLU HA H 48 4.172 4.374 -0.202 1
1 554 . 5 1 1 A 48 48 GLU C C 48 177.317 176.183 1.134 1
1 555 . 5 1 1 A 48 48 GLU CA C 48 59.979 57.685 2.294 1
1 556 . 5 1 1 A 48 48 GLU CB C 48 28.699 31.313 -2.614 1
1 558 . 5 1 1 A 48 48 GLU N N 48 118.400 124.425 -6.025 1
1 559 . 5 1 1 A 49 49 ILE H H 49 6.510 7.835 -1.325 1
1 560 . 5 1 1 A 49 49 ILE HA H 49 4.697 4.261 0.436 1
1 568 . 5 1 1 A 49 49 ILE C C 49 175.868 175.382 0.486 1
1 569 . 5 1 1 A 49 49 ILE CA C 49 60.318 60.545 -0.227 1
1 570 . 5 1 1 A 49 49 ILE CB C 49 38.324 37.764 0.560 1
1 574 . 5 1 1 A 49 49 ILE N N 49 105.782 117.006 -11.224 1
1 575 . 5 1 1 A 50 50 LYS H H 50 7.991 7.856 0.135 1
1 576 . 5 1 1 A 50 50 LYS HA H 50 4.336 4.077 0.259 1
1 581 . 5 1 1 A 50 50 LYS C C 50 174.829 174.846 -0.017 1
1 582 . 5 1 1 A 50 50 LYS CA C 50 55.959 56.911 -0.952 1
1 583 . 5 1 1 A 50 50 LYS CB C 50 29.232 30.920 -1.688 1
1 585 . 5 1 1 A 50 50 LYS N N 50 124.329 118.963 5.366 1
1 586 . 5 1 1 A 51 51 THR H H 51 7.174 7.278 -0.104 1
1 587 . 5 1 1 A 51 51 THR HA H 51 5.774 5.305 0.469 1
1 592 . 5 1 1 A 51 51 THR C C 51 173.893 171.922 1.971 1
1 593 . 5 1 1 A 51 51 THR CA C 51 62.217 59.726 2.491 1
1 594 . 5 1 1 A 51 51 THR CB C 51 73.248 71.719 1.529 1
1 596 . 5 1 1 A 51 51 THR N N 51 109.849 114.170 -4.321 1
1 597 . 5 1 1 A 52 52 PHE H H 52 10.338 9.227 1.111 1
1 598 . 5 1 1 A 52 52 PHE HA H 52 5.693 5.796 -0.103 1
1 605 . 5 1 1 A 52 52 PHE C C 52 174.361 174.598 -0.237 1
1 606 . 5 1 1 A 52 52 PHE CA C 52 57.260 55.936 1.324 1
1 607 . 5 1 1 A 52 52 PHE CB C 52 42.130 43.794 -1.664 1
1 612 . 5 1 1 A 52 52 PHE N N 52 130.662 125.177 5.485 1
1 613 . 5 1 1 A 53 53 THR H H 53 9.262 9.564 -0.302 1
1 614 . 5 1 1 A 53 53 THR HA H 53 5.288 4.766 0.522 1
1 619 . 5 1 1 A 53 53 THR C C 53 172.678 173.262 -0.584 1
1 620 . 5 1 1 A 53 53 THR CA C 53 61.511 61.189 0.322 1
1 621 . 5 1 1 A 53 53 THR CB C 53 70.861 72.108 -1.247 1
1 623 . 5 1 1 A 53 53 THR N N 53 118.205 114.547 3.658 1
1 624 . 5 1 1 A 54 54 VAL H H 54 8.628 8.580 0.048 1
1 625 . 5 1 1 A 54 54 VAL HA H 54 4.599 4.996 -0.397 1
1 633 . 5 1 1 A 54 54 VAL C C 54 174.090 174.198 -0.108 1
1 634 . 5 1 1 A 54 54 VAL CA C 54 59.646 60.157 -0.511 1
1 635 . 5 1 1 A 54 54 VAL CB C 54 32.737 33.712 -0.975 1
1 637 . 5 1 1 A 54 54 VAL N N 54 125.183 123.190 1.993 1
1 638 . 5 1 1 A 55 55 THR H H 55 8.434 8.632 -0.198 1
1 639 . 5 1 1 A 55 55 THR HA H 55 4.951 4.853 0.098 1
1 644 . 5 1 1 A 55 55 THR C C 55 173.695 172.896 0.799 1
1 645 . 5 1 1 A 55 55 THR CA C 55 61.219 61.835 -0.616 1
1 646 . 5 1 1 A 55 55 THR CB C 55 71.454 69.765 1.689 1
1 648 . 5 1 1 A 55 55 THR N N 55 122.255 124.545 -2.290 1
1 9 . 6 1 1 A 2 2 THR H H 2 8.931 8.087 0.844 1
1 10 . 6 1 1 A 2 2 THR HA H 2 4.504 4.886 -0.382 1
1 15 . 6 1 1 A 2 2 THR C C 2 172.828 173.490 -0.662 1
1 16 . 6 1 1 A 2 2 THR CA C 2 63.506 60.915 2.591 1
1 17 . 6 1 1 A 2 2 THR CB C 2 68.833 69.162 -0.329 1
1 19 . 6 1 1 A 2 2 THR N N 2 124.414 112.414 12.000 1
1 20 . 6 1 1 A 3 3 TYR H H 3 9.041 8.724 0.317 1
1 21 . 6 1 1 A 3 3 TYR HA H 3 5.453 5.263 0.190 1
1 26 . 6 1 1 A 3 3 TYR C C 3 174.672 176.527 -1.855 1
1 27 . 6 1 1 A 3 3 TYR CA C 3 57.886 58.881 -0.995 1
1 28 . 6 1 1 A 3 3 TYR CB C 3 42.295 39.867 2.428 1
1 31 . 6 1 1 A 3 3 TYR N N 3 127.469 127.486 -0.017 1
1 32 . 6 1 1 A 4 4 LYS H H 4 9.046 8.511 0.535 1
1 33 . 6 1 1 A 4 4 LYS HA H 4 5.547 5.656 -0.109 1
1 40 . 6 1 1 A 4 4 LYS C C 4 173.092 175.166 -2.074 1
1 41 . 6 1 1 A 4 4 LYS CA C 4 55.112 54.895 0.217 1
1 42 . 6 1 1 A 4 4 LYS CB C 4 35.889 36.028 -0.139 1
1 46 . 6 1 1 A 4 4 LYS N N 4 121.164 121.528 -0.364 1
1 47 . 6 1 1 A 5 5 LEU H H 5 9.017 9.442 -0.425 1
1 48 . 6 1 1 A 5 5 LEU HA H 5 5.095 5.565 -0.470 1
1 58 . 6 1 1 A 5 5 LEU C C 5 174.914 174.350 0.564 1
1 59 . 6 1 1 A 5 5 LEU CA C 5 52.648 53.868 -1.220 1
1 60 . 6 1 1 A 5 5 LEU CB C 5 43.729 44.933 -1.204 1
1 63 . 6 1 1 A 5 5 LEU N N 5 126.371 123.918 2.453 1
1 64 . 6 1 1 A 6 6 ILE H H 6 9.129 9.223 -0.094 1
1 65 . 6 1 1 A 6 6 ILE HA H 6 4.502 4.649 -0.147 1
1 70 . 6 1 1 A 6 6 ILE C C 6 174.654 174.802 -0.148 1
1 71 . 6 1 1 A 6 6 ILE CA C 6 60.366 60.132 0.234 1
1 72 . 6 1 1 A 6 6 ILE CB C 6 38.760 38.028 0.732 1
1 76 . 6 1 1 A 6 6 ILE N N 6 126.264 127.904 -1.640 1
1 77 . 6 1 1 A 7 7 LEU H H 7 8.956 9.195 -0.239 1
1 78 . 6 1 1 A 7 7 LEU HA H 7 4.570 5.026 -0.456 1
1 84 . 6 1 1 A 7 7 LEU C C 7 174.493 175.072 -0.579 1
1 85 . 6 1 1 A 7 7 LEU CA C 7 53.644 53.173 0.471 1
1 86 . 6 1 1 A 7 7 LEU CB C 7 41.339 43.691 -2.352 1
1 89 . 6 1 1 A 7 7 LEU N N 7 126.422 128.497 -2.075 1
1 90 . 6 1 1 A 8 8 ASN H H 8 9.065 8.893 0.172 1
1 91 . 6 1 1 A 8 8 ASN HA H 8 5.181 5.330 -0.149 1
1 96 . 6 1 1 A 8 8 ASN C C 8 174.434 173.962 0.472 1
1 97 . 6 1 1 A 8 8 ASN CA C 8 51.851 52.023 -0.172 1
1 98 . 6 1 1 A 8 8 ASN CB C 8 37.869 40.346 -2.477 1
1 99 . 6 1 1 A 8 8 ASN N N 8 125.633 123.936 1.697 1
1 101 . 6 1 1 A 9 9 LEU H H 9 7.720 8.351 -0.631 1
1 102 . 6 1 1 A 9 9 LEU HA H 9 4.754 4.846 -0.092 1
1 109 . 6 1 1 A 9 9 LEU C C 9 177.207 177.629 -0.422 1
1 110 . 6 1 1 A 9 9 LEU CA C 9 53.431 52.224 1.207 1
1 111 . 6 1 1 A 9 9 LEU CB C 9 41.451 45.038 -3.587 1
1 114 . 6 1 1 A 9 9 LEU N N 9 121.516 124.621 -3.105 1
1 115 . 6 1 1 A 10 10 LYS H H 10 9.251 8.913 0.338 1
1 116 . 6 1 1 A 10 10 LYS HA H 10 4.034 3.999 0.035 1
1 123 . 6 1 1 A 10 10 LYS C C 10 179.205 176.231 2.974 1
1 124 . 6 1 1 A 10 10 LYS CA C 10 59.720 58.913 0.807 1
1 125 . 6 1 1 A 10 10 LYS CB C 10 31.834 32.499 -0.665 1
1 128 . 6 1 1 A 10 10 LYS N N 10 120.915 119.667 1.248 1
1 129 . 6 1 1 A 11 11 GLN H H 11 8.566 7.676 0.890 1
1 130 . 6 1 1 A 11 11 GLN HA H 11 4.447 4.446 0.001 1
1 137 . 6 1 1 A 11 11 GLN C C 11 175.378 175.509 -0.131 1
1 138 . 6 1 1 A 11 11 GLN CA C 11 56.019 54.043 1.976 1
1 139 . 6 1 1 A 11 11 GLN CB C 11 29.175 28.431 0.744 1
1 141 . 6 1 1 A 11 11 GLN N N 11 113.391 116.853 -3.462 1
1 143 . 6 1 1 A 12 12 ALA H H 12 7.186 8.402 -1.216 1
1 144 . 6 1 1 A 12 12 ALA HA H 12 4.506 4.002 0.504 1
1 148 . 6 1 1 A 12 12 ALA C C 12 174.369 176.163 -1.794 1
1 149 . 6 1 1 A 12 12 ALA CA C 12 52.485 54.264 -1.779 1
1 150 . 6 1 1 A 12 12 ALA CB C 12 21.424 17.996 3.428 1
1 151 . 6 1 1 A 12 12 ALA N N 12 120.106 124.173 -4.067 1
1 152 . 6 1 1 A 13 13 LYS H H 13 8.298 8.560 -0.262 1
1 153 . 6 1 1 A 13 13 LYS HA H 13 5.392 5.001 0.391 1
1 158 . 6 1 1 A 13 13 LYS C C 13 176.285 175.236 1.049 1
1 159 . 6 1 1 A 13 13 LYS CA C 13 55.138 54.772 0.366 1
1 160 . 6 1 1 A 13 13 LYS CB C 13 33.656 34.753 -1.097 1
1 164 . 6 1 1 A 13 13 LYS N N 13 120.804 122.479 -1.675 1
1 165 . 6 1 1 A 14 14 GLU H H 14 8.640 8.664 -0.024 1
1 166 . 6 1 1 A 14 14 GLU HA H 14 4.879 4.955 -0.076 1
1 171 . 6 1 1 A 14 14 GLU C C 14 174.032 174.830 -0.798 1
1 172 . 6 1 1 A 14 14 GLU CA C 14 54.909 54.826 0.083 1
1 173 . 6 1 1 A 14 14 GLU CB C 14 34.407 33.203 1.204 1
1 175 . 6 1 1 A 14 14 GLU N N 14 123.450 127.169 -3.719 1
1 176 . 6 1 1 A 15 15 GLU H H 15 8.642 8.626 0.016 1
1 177 . 6 1 1 A 15 15 GLU HA H 15 5.631 5.095 0.536 1
1 182 . 6 1 1 A 15 15 GLU C C 15 175.503 175.119 0.384 1
1 183 . 6 1 1 A 15 15 GLU CA C 15 54.638 54.793 -0.155 1
1 184 . 6 1 1 A 15 15 GLU CB C 15 34.147 32.877 1.270 1
1 186 . 6 1 1 A 15 15 GLU N N 15 120.056 122.931 -2.875 1
1 187 . 6 1 1 A 16 16 ALA H H 16 9.166 9.265 -0.099 1
1 188 . 6 1 1 A 16 16 ALA HA H 16 4.981 5.621 -0.640 1
1 192 . 6 1 1 A 16 16 ALA C C 16 175.027 176.363 -1.336 1
1 193 . 6 1 1 A 16 16 ALA CA C 16 51.324 49.878 1.446 1
1 194 . 6 1 1 A 16 16 ALA CB C 16 22.552 22.512 0.040 1
1 195 . 6 1 1 A 16 16 ALA N N 16 124.648 125.565 -0.917 1
1 196 . 6 1 1 A 17 17 ILE H H 17 8.645 9.141 -0.496 1
1 197 . 6 1 1 A 17 17 ILE HA H 17 5.672 5.760 -0.088 1
1 207 . 6 1 1 A 17 17 ILE C C 17 175.737 174.554 1.183 1
1 208 . 6 1 1 A 17 17 ILE CA C 17 59.733 59.300 0.433 1
1 209 . 6 1 1 A 17 17 ILE CB C 17 42.219 42.765 -0.546 1
1 213 . 6 1 1 A 17 17 ILE N N 17 116.684 117.399 -0.715 1
1 214 . 6 1 1 A 18 18 LYS H H 18 9.243 8.509 0.734 1
1 215 . 6 1 1 A 18 18 LYS HA H 18 4.548 4.653 -0.105 1
1 222 . 6 1 1 A 18 18 LYS C C 18 174.039 173.757 0.282 1
1 223 . 6 1 1 A 18 18 LYS CA C 18 54.956 55.834 -0.878 1
1 224 . 6 1 1 A 18 18 LYS CB C 18 37.101 36.405 0.696 1
1 228 . 6 1 1 A 18 18 LYS N N 18 123.578 122.312 1.266 1
1 229 . 6 1 1 A 19 19 GLU H H 19 8.812 8.867 -0.055 1
1 230 . 6 1 1 A 19 19 GLU HA H 19 5.184 5.418 -0.234 1
1 233 . 6 1 1 A 19 19 GLU C C 19 175.912 175.456 0.456 1
1 234 . 6 1 1 A 19 19 GLU CA C 19 55.340 55.172 0.168 1
1 235 . 6 1 1 A 19 19 GLU CB C 19 29.224 31.847 -2.623 1
1 237 . 6 1 1 A 19 19 GLU N N 19 129.720 126.993 2.727 1
1 238 . 6 1 1 A 20 20 ALA H H 20 9.425 8.775 0.650 1
1 239 . 6 1 1 A 20 20 ALA HA H 20 4.935 4.867 0.068 1
1 243 . 6 1 1 A 20 20 ALA C C 20 177.376 177.212 0.164 1
1 244 . 6 1 1 A 20 20 ALA CA C 20 51.128 50.268 0.860 1
1 245 . 6 1 1 A 20 20 ALA CB C 20 23.405 22.828 0.577 1
1 246 . 6 1 1 A 20 20 ALA N N 20 127.622 129.581 -1.959 1
1 247 . 6 1 1 A 21 21 VAL H H 21 8.620 8.648 -0.028 1
1 248 . 6 1 1 A 21 21 VAL HA H 21 4.262 4.301 -0.039 1
1 253 . 6 1 1 A 21 21 VAL C C 21 175.539 174.892 0.647 1
1 254 . 6 1 1 A 21 21 VAL CA C 21 63.598 61.210 2.388 1
1 255 . 6 1 1 A 21 21 VAL CB C 21 31.839 31.712 0.127 1
1 257 . 6 1 1 A 21 21 VAL N N 21 115.529 114.539 0.990 1
1 258 . 6 1 1 A 22 22 ASP H H 22 7.405 7.697 -0.292 1
1 259 . 6 1 1 A 22 22 ASP HA H 22 4.946 4.914 0.032 1
1 262 . 6 1 1 A 22 22 ASP C C 22 174.734 174.491 0.243 1
1 263 . 6 1 1 A 22 22 ASP CA C 22 52.601 53.316 -0.715 1
1 264 . 6 1 1 A 22 22 ASP CB C 22 42.748 43.874 -1.126 1
1 265 . 6 1 1 A 22 22 ASP N N 22 115.513 120.085 -4.572 1
1 266 . 6 1 1 A 23 23 ALA H H 23 8.614 8.613 0.001 1
1 267 . 6 1 1 A 23 23 ALA HA H 23 3.294 3.688 -0.394 1
1 271 . 6 1 1 A 23 23 ALA C C 23 179.849 179.114 0.735 1
1 272 . 6 1 1 A 23 23 ALA CA C 23 54.858 53.327 1.531 1
1 273 . 6 1 1 A 23 23 ALA CB C 23 17.424 19.473 -2.049 1
1 274 . 6 1 1 A 23 23 ALA N N 23 121.829 123.382 -1.553 1
1 275 . 6 1 1 A 24 24 GLY H H 24 8.555 8.417 0.138 1
1 276 . 6 1 1 A 24 24 GLY HA2 H 24 3.851 3.857 -0.006 1
1 277 . 6 1 1 A 24 24 GLY HA3 H 24 3.851 3.879 -0.028 1
1 278 . 6 1 1 A 24 24 GLY C C 24 177.142 175.897 1.245 1
1 279 . 6 1 1 A 24 24 GLY CA C 24 46.839 46.831 0.008 1
1 280 . 6 1 1 A 24 24 GLY N N 24 106.435 106.483 -0.048 1
1 281 . 6 1 1 A 25 25 THR H H 25 8.241 7.999 0.242 1
1 282 . 6 1 1 A 25 25 THR HA H 25 4.063 4.065 -0.002 1
1 287 . 6 1 1 A 25 25 THR C C 25 177.054 176.959 0.095 1
1 288 . 6 1 1 A 25 25 THR CA C 25 66.635 64.402 2.233 1
1 289 . 6 1 1 A 25 25 THR CB C 25 68.068 68.335 -0.267 1
1 291 . 6 1 1 A 25 25 THR N N 25 119.981 113.335 6.646 1
1 292 . 6 1 1 A 26 26 ALA H H 26 7.100 8.016 -0.916 1
1 293 . 6 1 1 A 26 26 ALA HA H 26 3.364 3.659 -0.295 1
1 297 . 6 1 1 A 26 26 ALA C C 26 177.098 179.190 -2.092 1
1 298 . 6 1 1 A 26 26 ALA CA C 26 55.502 54.728 0.774 1
1 299 . 6 1 1 A 26 26 ALA CB C 26 17.127 17.546 -0.419 1
1 300 . 6 1 1 A 26 26 ALA N N 26 124.535 124.354 0.181 1
1 301 . 6 1 1 A 27 27 GLU H H 27 8.739 8.191 0.548 1
1 302 . 6 1 1 A 27 27 GLU HA H 27 2.941 3.821 -0.880 1
1 307 . 6 1 1 A 27 27 GLU C C 27 177.368 178.735 -1.367 1
1 308 . 6 1 1 A 27 27 GLU CA C 27 60.190 59.529 0.661 1
1 309 . 6 1 1 A 27 27 GLU CB C 27 29.225 29.005 0.220 1
1 311 . 6 1 1 A 27 27 GLU N N 27 118.116 118.465 -0.349 1
1 312 . 6 1 1 A 28 28 LYS H H 28 7.333 7.488 -0.155 1
1 313 . 6 1 1 A 28 28 LYS HA H 28 3.764 4.061 -0.297 1
1 320 . 6 1 1 A 28 28 LYS C C 28 178.993 178.547 0.446 1
1 321 . 6 1 1 A 28 28 LYS CA C 28 59.881 58.759 1.122 1
1 322 . 6 1 1 A 28 28 LYS CB C 28 32.382 32.056 0.326 1
1 324 . 6 1 1 A 28 28 LYS N N 28 116.088 118.669 -2.581 1
1 325 . 6 1 1 A 29 29 TYR H H 29 7.016 7.958 -0.942 1
1 326 . 6 1 1 A 29 29 TYR HA H 29 4.273 4.276 -0.003 1
1 333 . 6 1 1 A 29 29 TYR C C 29 177.581 177.633 -0.052 1
1 334 . 6 1 1 A 29 29 TYR CA C 29 61.050 61.473 -0.423 1
1 335 . 6 1 1 A 29 29 TYR CB C 29 37.860 38.451 -0.591 1
1 340 . 6 1 1 A 29 29 TYR N N 29 119.155 121.643 -2.488 1
1 341 . 6 1 1 A 30 30 PHE H H 30 8.775 8.671 0.104 1
1 342 . 6 1 1 A 30 30 PHE HA H 30 4.619 4.134 0.485 1
1 349 . 6 1 1 A 30 30 PHE C C 30 178.612 177.867 0.745 1
1 350 . 6 1 1 A 30 30 PHE CA C 30 57.312 62.419 -5.107 1
1 351 . 6 1 1 A 30 30 PHE CB C 30 37.667 38.479 -0.812 1
1 356 . 6 1 1 A 30 30 PHE N N 30 118.969 118.824 0.145 1
1 357 . 6 1 1 A 31 31 LYS H H 31 8.977 8.956 0.021 1
1 358 . 6 1 1 A 31 31 LYS HA H 31 4.141 4.309 -0.168 1
1 363 . 6 1 1 A 31 31 LYS C C 31 178.781 179.030 -0.249 1
1 364 . 6 1 1 A 31 31 LYS CA C 31 59.878 59.784 0.094 1
1 365 . 6 1 1 A 31 31 LYS CB C 31 31.707 32.340 -0.633 1
1 367 . 6 1 1 A 31 31 LYS N N 31 121.474 120.638 0.836 1
1 368 . 6 1 1 A 32 32 LEU H H 32 7.215 7.952 -0.737 1
1 369 . 6 1 1 A 32 32 LEU HA H 32 4.179 4.016 0.163 1
1 376 . 6 1 1 A 32 32 LEU C C 32 180.639 179.343 1.296 1
1 377 . 6 1 1 A 32 32 LEU CA C 32 57.933 58.017 -0.084 1
1 378 . 6 1 1 A 32 32 LEU CB C 32 41.283 41.572 -0.289 1
1 381 . 6 1 1 A 32 32 LEU N N 32 118.836 119.240 -0.404 1
1 382 . 6 1 1 A 33 33 ILE H H 33 7.397 7.749 -0.352 1
1 383 . 6 1 1 A 33 33 ILE HA H 33 3.896 3.840 0.056 1
1 388 . 6 1 1 A 33 33 ILE C C 33 178.546 177.687 0.859 1
1 389 . 6 1 1 A 33 33 ILE CA C 33 63.892 63.729 0.163 1
1 390 . 6 1 1 A 33 33 ILE CB C 33 37.582 37.502 0.080 1
1 393 . 6 1 1 A 33 33 ILE N N 33 118.838 119.673 -0.835 1
1 394 . 6 1 1 A 34 34 ALA H H 34 8.593 8.365 0.228 1
1 395 . 6 1 1 A 34 34 ALA HA H 34 3.984 4.070 -0.086 1
1 399 . 6 1 1 A 34 34 ALA C C 34 179.571 179.544 0.027 1
1 400 . 6 1 1 A 34 34 ALA CA C 34 55.141 55.690 -0.549 1
1 401 . 6 1 1 A 34 34 ALA CB C 34 18.671 18.824 -0.153 1
1 402 . 6 1 1 A 34 34 ALA N N 34 121.471 123.806 -2.335 1
1 403 . 6 1 1 A 35 35 ASN H H 35 8.503 8.441 0.062 1
1 404 . 6 1 1 A 35 35 ASN HA H 35 4.707 4.893 -0.186 1
1 409 . 6 1 1 A 35 35 ASN C C 35 177.434 176.926 0.508 1
1 410 . 6 1 1 A 35 35 ASN CA C 35 55.732 55.364 0.368 1
1 411 . 6 1 1 A 35 35 ASN CB C 35 38.224 37.277 0.947 1
1 412 . 6 1 1 A 35 35 ASN N N 35 116.283 116.184 0.099 1
1 414 . 6 1 1 A 36 36 ALA H H 36 7.610 7.334 0.276 1
1 415 . 6 1 1 A 36 36 ALA HA H 36 4.363 4.168 0.195 1
1 419 . 6 1 1 A 36 36 ALA C C 36 178.715 178.345 0.370 1
1 420 . 6 1 1 A 36 36 ALA CA C 36 54.004 53.934 0.070 1
1 421 . 6 1 1 A 36 36 ALA CB C 36 19.224 18.692 0.532 1
1 422 . 6 1 1 A 36 36 ALA N N 36 120.620 121.253 -0.633 1
1 423 . 6 1 1 A 37 37 LYS H H 37 7.673 7.873 -0.200 1
1 424 . 6 1 1 A 37 37 LYS HA H 37 4.436 4.352 0.084 1
1 431 . 6 1 1 A 37 37 LYS C C 37 175.876 176.330 -0.454 1
1 432 . 6 1 1 A 37 37 LYS CA C 37 56.284 56.719 -0.435 1
1 433 . 6 1 1 A 37 37 LYS CB C 37 34.026 34.602 -0.576 1
1 437 . 6 1 1 A 37 37 LYS N N 37 116.344 114.873 1.471 1
1 438 . 6 1 1 A 38 38 THR H H 38 8.122 8.561 -0.439 1
1 439 . 6 1 1 A 38 38 THR HA H 38 4.409 4.711 -0.302 1
1 444 . 6 1 1 A 38 38 THR C C 38 172.766 172.838 -0.072 1
1 445 . 6 1 1 A 38 38 THR CA C 38 61.468 61.276 0.192 1
1 446 . 6 1 1 A 38 38 THR CB C 38 69.124 70.942 -1.818 1
1 448 . 6 1 1 A 38 38 THR N N 38 113.585 110.127 3.458 1
1 449 . 6 1 1 A 39 39 VAL H H 39 8.254 8.683 -0.429 1
1 450 . 6 1 1 A 39 39 VAL HA H 39 4.399 4.610 -0.211 1
1 455 . 6 1 1 A 39 39 VAL C C 39 176.183 173.990 2.193 1
1 456 . 6 1 1 A 39 39 VAL CA C 39 62.431 61.369 1.062 1
1 457 . 6 1 1 A 39 39 VAL CB C 39 32.795 32.044 0.751 1
1 459 . 6 1 1 A 39 39 VAL N N 39 120.756 120.776 -0.020 1
1 460 . 6 1 1 A 40 40 GLU H H 40 8.732 8.115 0.617 1
1 461 . 6 1 1 A 40 40 GLU HA H 40 4.711 4.724 -0.013 1
1 464 . 6 1 1 A 40 40 GLU C C 40 175.571 175.378 0.193 1
1 465 . 6 1 1 A 40 40 GLU CA C 40 55.569 56.136 -0.567 1
1 466 . 6 1 1 A 40 40 GLU CB C 40 30.469 32.286 -1.817 1
1 468 . 6 1 1 A 40 40 GLU N N 40 124.791 127.319 -2.528 1
1 469 . 6 1 1 A 41 41 GLY H H 41 8.145 8.461 -0.316 1
1 470 . 6 1 1 A 41 41 GLY HA2 H 41 4.236 4.162 0.074 1
1 471 . 6 1 1 A 41 41 GLY HA3 H 41 3.589 4.176 -0.587 1
1 472 . 6 1 1 A 41 41 GLY C C 41 172.517 171.822 0.695 1
1 473 . 6 1 1 A 41 41 GLY CA C 41 45.203 45.742 -0.539 1
1 474 . 6 1 1 A 41 41 GLY N N 41 107.758 112.215 -4.457 1
1 475 . 6 1 1 A 42 42 VAL H H 42 8.490 8.715 -0.225 1
1 476 . 6 1 1 A 42 42 VAL HA H 42 4.525 4.711 -0.186 1
1 481 . 6 1 1 A 42 42 VAL C C 42 176.739 176.096 0.643 1
1 482 . 6 1 1 A 42 42 VAL CA C 42 62.354 61.897 0.457 1
1 483 . 6 1 1 A 42 42 VAL CB C 42 33.355 32.507 0.848 1
1 485 . 6 1 1 A 42 42 VAL N N 42 121.959 119.766 2.193 1
1 486 . 6 1 1 A 43 43 TRP H H 43 9.465 9.069 0.396 1
1 487 . 6 1 1 A 43 43 TRP HA H 43 5.375 5.306 0.069 1
1 495 . 6 1 1 A 43 43 TRP C C 43 177.127 176.417 0.710 1
1 496 . 6 1 1 A 43 43 TRP CA C 43 58.056 57.561 0.495 1
1 497 . 6 1 1 A 43 43 TRP CB C 43 29.740 30.751 -1.011 1
1 502 . 6 1 1 A 43 43 TRP N N 43 130.804 129.156 1.648 1
1 504 . 6 1 1 A 44 44 THR H H 44 9.380 8.836 0.544 1
1 505 . 6 1 1 A 44 44 THR HA H 44 4.908 5.164 -0.256 1
1 510 . 6 1 1 A 44 44 THR C C 44 172.803 171.825 0.978 1
1 511 . 6 1 1 A 44 44 THR CA C 44 61.075 60.515 0.560 1
1 512 . 6 1 1 A 44 44 THR CB C 44 72.681 70.600 2.081 1
1 514 . 6 1 1 A 44 44 THR N N 44 115.117 116.473 -1.356 1
1 515 . 6 1 1 A 45 45 TYR H H 45 8.773 8.972 -0.199 1
1 516 . 6 1 1 A 45 45 TYR HA H 45 5.143 5.617 -0.474 1
1 521 . 6 1 1 A 45 45 TYR C C 45 174.047 173.164 0.883 1
1 522 . 6 1 1 A 45 45 TYR CA C 45 57.154 57.018 0.136 1
1 523 . 6 1 1 A 45 45 TYR CB C 45 41.212 42.512 -1.300 1
1 526 . 6 1 1 A 45 45 TYR N N 45 121.946 127.622 -5.676 1
1 527 . 6 1 1 A 46 46 LYS H H 46 7.505 8.548 -1.043 1
1 528 . 6 1 1 A 46 46 LYS HA H 46 4.457 4.731 -0.274 1
1 533 . 6 1 1 A 46 46 LYS C C 46 175.444 175.545 -0.101 1
1 534 . 6 1 1 A 46 46 LYS CA C 46 53.992 53.723 0.269 1
1 535 . 6 1 1 A 46 46 LYS CB C 46 33.875 35.493 -1.618 1
1 539 . 6 1 1 A 46 46 LYS N N 46 128.658 128.093 0.565 1
1 540 . 6 1 1 A 47 47 ASP H H 47 8.807 8.948 -0.141 1
1 541 . 6 1 1 A 47 47 ASP HA H 47 4.135 4.367 -0.232 1
1 544 . 6 1 1 A 47 47 ASP C C 47 179.380 178.093 1.287 1
1 545 . 6 1 1 A 47 47 ASP CA C 47 57.464 55.196 2.268 1
1 546 . 6 1 1 A 47 47 ASP CB C 47 42.288 39.995 2.293 1
1 547 . 6 1 1 A 47 47 ASP N N 47 126.643 125.685 0.958 1
1 548 . 6 1 1 A 48 48 GLU H H 48 9.909 8.497 1.412 1
1 549 . 6 1 1 A 48 48 GLU HA H 48 4.172 4.047 0.125 1
1 554 . 6 1 1 A 48 48 GLU C C 48 177.317 176.900 0.417 1
1 555 . 6 1 1 A 48 48 GLU CA C 48 59.979 59.062 0.917 1
1 556 . 6 1 1 A 48 48 GLU CB C 48 28.699 28.922 -0.223 1
1 558 . 6 1 1 A 48 48 GLU N N 48 118.400 119.865 -1.465 1
1 559 . 6 1 1 A 49 49 ILE H H 49 6.510 7.216 -0.706 1
1 560 . 6 1 1 A 49 49 ILE HA H 49 4.697 4.272 0.425 1
1 568 . 6 1 1 A 49 49 ILE C C 49 175.868 175.063 0.805 1
1 569 . 6 1 1 A 49 49 ILE CA C 49 60.318 59.710 0.608 1
1 570 . 6 1 1 A 49 49 ILE CB C 49 38.324 38.118 0.206 1
1 574 . 6 1 1 A 49 49 ILE N N 49 105.782 113.251 -7.469 1
1 575 . 6 1 1 A 50 50 LYS H H 50 7.991 7.738 0.253 1
1 576 . 6 1 1 A 50 50 LYS HA H 50 4.336 3.841 0.495 1
1 581 . 6 1 1 A 50 50 LYS C C 50 174.829 174.756 0.073 1
1 582 . 6 1 1 A 50 50 LYS CA C 50 55.959 56.736 -0.777 1
1 583 . 6 1 1 A 50 50 LYS CB C 50 29.232 30.653 -1.421 1
1 585 . 6 1 1 A 50 50 LYS N N 50 124.329 116.641 7.688 1
1 586 . 6 1 1 A 51 51 THR H H 51 7.174 6.968 0.206 1
1 587 . 6 1 1 A 51 51 THR HA H 51 5.774 5.227 0.547 1
1 592 . 6 1 1 A 51 51 THR C C 51 173.893 171.994 1.899 1
1 593 . 6 1 1 A 51 51 THR CA C 51 62.217 60.448 1.769 1
1 594 . 6 1 1 A 51 51 THR CB C 51 73.248 71.273 1.975 1
1 596 . 6 1 1 A 51 51 THR N N 51 109.849 114.423 -4.574 1
1 597 . 6 1 1 A 52 52 PHE H H 52 10.338 9.612 0.726 1
1 598 . 6 1 1 A 52 52 PHE HA H 52 5.693 5.971 -0.278 1
1 605 . 6 1 1 A 52 52 PHE C C 52 174.361 175.306 -0.945 1
1 606 . 6 1 1 A 52 52 PHE CA C 52 57.260 56.495 0.765 1
1 607 . 6 1 1 A 52 52 PHE CB C 52 42.130 42.603 -0.473 1
1 612 . 6 1 1 A 52 52 PHE N N 52 130.662 125.965 4.697 1
1 613 . 6 1 1 A 53 53 THR H H 53 9.262 9.298 -0.036 1
1 614 . 6 1 1 A 53 53 THR HA H 53 5.288 4.913 0.375 1
1 619 . 6 1 1 A 53 53 THR C C 53 172.678 173.272 -0.594 1
1 620 . 6 1 1 A 53 53 THR CA C 53 61.511 61.148 0.363 1
1 621 . 6 1 1 A 53 53 THR CB C 53 70.861 72.272 -1.411 1
1 623 . 6 1 1 A 53 53 THR N N 53 118.205 115.082 3.123 1
1 624 . 6 1 1 A 54 54 VAL H H 54 8.628 8.966 -0.338 1
1 625 . 6 1 1 A 54 54 VAL HA H 54 4.599 4.968 -0.369 1
1 633 . 6 1 1 A 54 54 VAL C C 54 174.090 174.160 -0.070 1
1 634 . 6 1 1 A 54 54 VAL CA C 54 59.646 60.164 -0.518 1
1 635 . 6 1 1 A 54 54 VAL CB C 54 32.737 33.708 -0.971 1
1 637 . 6 1 1 A 54 54 VAL N N 54 125.183 123.040 2.143 1
1 638 . 6 1 1 A 55 55 THR H H 55 8.434 8.655 -0.221 1
1 639 . 6 1 1 A 55 55 THR HA H 55 4.951 4.868 0.083 1
1 644 . 6 1 1 A 55 55 THR C C 55 173.695 172.986 0.709 1
1 645 . 6 1 1 A 55 55 THR CA C 55 61.219 61.613 -0.394 1
1 646 . 6 1 1 A 55 55 THR CB C 55 71.454 69.827 1.627 1
1 648 . 6 1 1 A 55 55 THR N N 55 122.255 124.272 -2.017 1
1 9 . 7 1 1 A 2 2 THR H H 2 8.931 8.758 0.173 1
1 10 . 7 1 1 A 2 2 THR HA H 2 4.504 4.867 -0.363 1
1 15 . 7 1 1 A 2 2 THR C C 2 172.828 172.577 0.251 1
1 16 . 7 1 1 A 2 2 THR CA C 2 63.506 61.250 2.256 1
1 17 . 7 1 1 A 2 2 THR CB C 2 68.833 70.121 -1.288 1
1 19 . 7 1 1 A 2 2 THR N N 2 124.414 120.949 3.465 1
1 20 . 7 1 1 A 3 3 TYR H H 3 9.041 9.335 -0.294 1
1 21 . 7 1 1 A 3 3 TYR HA H 3 5.453 5.672 -0.219 1
1 26 . 7 1 1 A 3 3 TYR C C 3 174.672 175.609 -0.937 1
1 27 . 7 1 1 A 3 3 TYR CA C 3 57.886 56.771 1.115 1
1 28 . 7 1 1 A 3 3 TYR CB C 3 42.295 41.962 0.333 1
1 31 . 7 1 1 A 3 3 TYR N N 3 127.469 126.782 0.687 1
1 32 . 7 1 1 A 4 4 LYS H H 4 9.046 8.633 0.413 1
1 33 . 7 1 1 A 4 4 LYS HA H 4 5.547 5.640 -0.093 1
1 40 . 7 1 1 A 4 4 LYS C C 4 173.092 175.239 -2.147 1
1 41 . 7 1 1 A 4 4 LYS CA C 4 55.112 54.999 0.113 1
1 42 . 7 1 1 A 4 4 LYS CB C 4 35.889 36.435 -0.546 1
1 46 . 7 1 1 A 4 4 LYS N N 4 121.164 121.116 0.048 1
1 47 . 7 1 1 A 5 5 LEU H H 5 9.017 9.065 -0.048 1
1 48 . 7 1 1 A 5 5 LEU HA H 5 5.095 5.766 -0.671 1
1 58 . 7 1 1 A 5 5 LEU C C 5 174.914 174.362 0.552 1
1 59 . 7 1 1 A 5 5 LEU CA C 5 52.648 53.693 -1.045 1
1 60 . 7 1 1 A 5 5 LEU CB C 5 43.729 45.386 -1.657 1
1 63 . 7 1 1 A 5 5 LEU N N 5 126.371 123.949 2.422 1
1 64 . 7 1 1 A 6 6 ILE H H 6 9.129 9.004 0.125 1
1 65 . 7 1 1 A 6 6 ILE HA H 6 4.502 4.677 -0.175 1
1 70 . 7 1 1 A 6 6 ILE C C 6 174.654 174.395 0.259 1
1 71 . 7 1 1 A 6 6 ILE CA C 6 60.366 60.524 -0.158 1
1 72 . 7 1 1 A 6 6 ILE CB C 6 38.760 39.066 -0.306 1
1 76 . 7 1 1 A 6 6 ILE N N 6 126.264 126.873 -0.609 1
1 77 . 7 1 1 A 7 7 LEU H H 7 8.956 8.908 0.048 1
1 78 . 7 1 1 A 7 7 LEU HA H 7 4.570 5.093 -0.523 1
1 84 . 7 1 1 A 7 7 LEU C C 7 174.493 174.938 -0.445 1
1 85 . 7 1 1 A 7 7 LEU CA C 7 53.644 53.238 0.406 1
1 86 . 7 1 1 A 7 7 LEU CB C 7 41.339 43.832 -2.493 1
1 89 . 7 1 1 A 7 7 LEU N N 7 126.422 128.279 -1.857 1
1 90 . 7 1 1 A 8 8 ASN H H 8 9.065 8.708 0.357 1
1 91 . 7 1 1 A 8 8 ASN HA H 8 5.181 5.334 -0.153 1
1 96 . 7 1 1 A 8 8 ASN C C 8 174.434 174.080 0.354 1
1 97 . 7 1 1 A 8 8 ASN CA C 8 51.851 51.945 -0.094 1
1 98 . 7 1 1 A 8 8 ASN CB C 8 37.869 40.766 -2.897 1
1 99 . 7 1 1 A 8 8 ASN N N 8 125.633 123.617 2.016 1
1 101 . 7 1 1 A 9 9 LEU H H 9 7.720 8.571 -0.851 1
1 102 . 7 1 1 A 9 9 LEU HA H 9 4.754 5.092 -0.338 1
1 109 . 7 1 1 A 9 9 LEU C C 9 177.207 176.121 1.086 1
1 110 . 7 1 1 A 9 9 LEU CA C 9 53.431 52.436 0.995 1
1 111 . 7 1 1 A 9 9 LEU CB C 9 41.451 44.631 -3.180 1
1 114 . 7 1 1 A 9 9 LEU N N 9 121.516 122.025 -0.509 1
1 115 . 7 1 1 A 10 10 LYS H H 10 9.251 8.350 0.901 1
1 116 . 7 1 1 A 10 10 LYS HA H 10 4.034 4.414 -0.380 1
1 123 . 7 1 1 A 10 10 LYS C C 10 179.205 176.367 2.838 1
1 124 . 7 1 1 A 10 10 LYS CA C 10 59.720 56.177 3.543 1
1 125 . 7 1 1 A 10 10 LYS CB C 10 31.834 30.393 1.441 1
1 128 . 7 1 1 A 10 10 LYS N N 10 120.915 117.972 2.943 1
1 129 . 7 1 1 A 11 11 GLN H H 11 8.566 8.299 0.267 1
1 130 . 7 1 1 A 11 11 GLN HA H 11 4.447 4.558 -0.111 1
1 137 . 7 1 1 A 11 11 GLN C C 11 175.378 175.456 -0.078 1
1 138 . 7 1 1 A 11 11 GLN CA C 11 56.019 56.627 -0.608 1
1 139 . 7 1 1 A 11 11 GLN CB C 11 29.175 31.827 -2.652 1
1 141 . 7 1 1 A 11 11 GLN N N 11 113.391 119.294 -5.903 1
1 143 . 7 1 1 A 12 12 ALA H H 12 7.186 7.567 -0.381 1
1 144 . 7 1 1 A 12 12 ALA HA H 12 4.506 4.513 -0.007 1
1 148 . 7 1 1 A 12 12 ALA C C 12 174.369 175.131 -0.762 1
1 149 . 7 1 1 A 12 12 ALA CA C 12 52.485 51.352 1.133 1
1 150 . 7 1 1 A 12 12 ALA CB C 12 21.424 21.699 -0.275 1
1 151 . 7 1 1 A 12 12 ALA N N 12 120.106 117.784 2.322 1
1 152 . 7 1 1 A 13 13 LYS H H 13 8.298 8.647 -0.349 1
1 153 . 7 1 1 A 13 13 LYS HA H 13 5.392 5.386 0.006 1
1 158 . 7 1 1 A 13 13 LYS C C 13 176.285 174.476 1.809 1
1 159 . 7 1 1 A 13 13 LYS CA C 13 55.138 54.562 0.576 1
1 160 . 7 1 1 A 13 13 LYS CB C 13 33.656 35.445 -1.789 1
1 164 . 7 1 1 A 13 13 LYS N N 13 120.804 115.474 5.330 1
1 165 . 7 1 1 A 14 14 GLU H H 14 8.640 8.602 0.038 1
1 166 . 7 1 1 A 14 14 GLU HA H 14 4.879 4.940 -0.061 1
1 171 . 7 1 1 A 14 14 GLU C C 14 174.032 174.868 -0.836 1
1 172 . 7 1 1 A 14 14 GLU CA C 14 54.909 54.579 0.330 1
1 173 . 7 1 1 A 14 14 GLU CB C 14 34.407 32.983 1.424 1
1 175 . 7 1 1 A 14 14 GLU N N 14 123.450 124.187 -0.737 1
1 176 . 7 1 1 A 15 15 GLU H H 15 8.642 8.996 -0.354 1
1 177 . 7 1 1 A 15 15 GLU HA H 15 5.631 5.192 0.439 1
1 182 . 7 1 1 A 15 15 GLU C C 15 175.503 175.104 0.399 1
1 183 . 7 1 1 A 15 15 GLU CA C 15 54.638 55.198 -0.560 1
1 184 . 7 1 1 A 15 15 GLU CB C 15 34.147 31.490 2.657 1
1 186 . 7 1 1 A 15 15 GLU N N 15 120.056 124.156 -4.100 1
1 187 . 7 1 1 A 16 16 ALA H H 16 9.166 8.909 0.257 1
1 188 . 7 1 1 A 16 16 ALA HA H 16 4.981 5.477 -0.496 1
1 192 . 7 1 1 A 16 16 ALA C C 16 175.027 176.494 -1.467 1
1 193 . 7 1 1 A 16 16 ALA CA C 16 51.324 49.951 1.373 1
1 194 . 7 1 1 A 16 16 ALA CB C 16 22.552 21.399 1.153 1
1 195 . 7 1 1 A 16 16 ALA N N 16 124.648 126.487 -1.839 1
1 196 . 7 1 1 A 17 17 ILE H H 17 8.645 8.944 -0.299 1
1 197 . 7 1 1 A 17 17 ILE HA H 17 5.672 5.722 -0.050 1
1 207 . 7 1 1 A 17 17 ILE C C 17 175.737 174.597 1.140 1
1 208 . 7 1 1 A 17 17 ILE CA C 17 59.733 58.812 0.921 1
1 209 . 7 1 1 A 17 17 ILE CB C 17 42.219 42.530 -0.311 1
1 213 . 7 1 1 A 17 17 ILE N N 17 116.684 117.431 -0.747 1
1 214 . 7 1 1 A 18 18 LYS H H 18 9.243 8.554 0.689 1
1 215 . 7 1 1 A 18 18 LYS HA H 18 4.548 4.670 -0.122 1
1 222 . 7 1 1 A 18 18 LYS C C 18 174.039 173.973 0.066 1
1 223 . 7 1 1 A 18 18 LYS CA C 18 54.956 55.773 -0.817 1
1 224 . 7 1 1 A 18 18 LYS CB C 18 37.101 36.372 0.729 1
1 228 . 7 1 1 A 18 18 LYS N N 18 123.578 122.279 1.299 1
1 229 . 7 1 1 A 19 19 GLU H H 19 8.812 8.831 -0.019 1
1 230 . 7 1 1 A 19 19 GLU HA H 19 5.184 5.043 0.141 1
1 233 . 7 1 1 A 19 19 GLU C C 19 175.912 175.766 0.146 1
1 234 . 7 1 1 A 19 19 GLU CA C 19 55.340 55.788 -0.448 1
1 235 . 7 1 1 A 19 19 GLU CB C 19 29.224 31.193 -1.969 1
1 237 . 7 1 1 A 19 19 GLU N N 19 129.720 126.944 2.776 1
1 238 . 7 1 1 A 20 20 ALA H H 20 9.425 8.615 0.810 1
1 239 . 7 1 1 A 20 20 ALA HA H 20 4.935 4.776 0.159 1
1 243 . 7 1 1 A 20 20 ALA C C 20 177.376 177.756 -0.380 1
1 244 . 7 1 1 A 20 20 ALA CA C 20 51.128 50.485 0.643 1
1 245 . 7 1 1 A 20 20 ALA CB C 20 23.405 22.860 0.545 1
1 246 . 7 1 1 A 20 20 ALA N N 20 127.622 129.247 -1.625 1
1 247 . 7 1 1 A 21 21 VAL H H 21 8.620 8.683 -0.063 1
1 248 . 7 1 1 A 21 21 VAL HA H 21 4.262 3.858 0.404 1
1 253 . 7 1 1 A 21 21 VAL C C 21 175.539 175.459 0.080 1
1 254 . 7 1 1 A 21 21 VAL CA C 21 63.598 64.897 -1.299 1
1 255 . 7 1 1 A 21 21 VAL CB C 21 31.839 31.932 -0.093 1
1 257 . 7 1 1 A 21 21 VAL N N 21 115.529 116.811 -1.282 1
1 258 . 7 1 1 A 22 22 ASP H H 22 7.405 7.907 -0.502 1
1 259 . 7 1 1 A 22 22 ASP HA H 22 4.946 5.201 -0.255 1
1 262 . 7 1 1 A 22 22 ASP C C 22 174.734 175.934 -1.200 1
1 263 . 7 1 1 A 22 22 ASP CA C 22 52.601 52.242 0.359 1
1 264 . 7 1 1 A 22 22 ASP CB C 22 42.748 44.513 -1.765 1
1 265 . 7 1 1 A 22 22 ASP N N 22 115.513 120.027 -4.514 1
1 266 . 7 1 1 A 23 23 ALA H H 23 8.614 8.634 -0.020 1
1 267 . 7 1 1 A 23 23 ALA HA H 23 3.294 3.395 -0.101 1
1 271 . 7 1 1 A 23 23 ALA C C 23 179.849 179.606 0.243 1
1 272 . 7 1 1 A 23 23 ALA CA C 23 54.858 54.603 0.255 1
1 273 . 7 1 1 A 23 23 ALA CB C 23 17.424 18.735 -1.311 1
1 274 . 7 1 1 A 23 23 ALA N N 23 121.829 122.475 -0.646 1
1 275 . 7 1 1 A 24 24 GLY H H 24 8.555 8.326 0.229 1
1 276 . 7 1 1 A 24 24 GLY HA2 H 24 3.851 3.791 0.060 1
1 277 . 7 1 1 A 24 24 GLY HA3 H 24 3.851 3.818 0.033 1
1 278 . 7 1 1 A 24 24 GLY C C 24 177.142 176.723 0.419 1
1 279 . 7 1 1 A 24 24 GLY CA C 24 46.839 46.783 0.056 1
1 280 . 7 1 1 A 24 24 GLY N N 24 106.435 105.962 0.473 1
1 281 . 7 1 1 A 25 25 THR H H 25 8.241 7.902 0.339 1
1 282 . 7 1 1 A 25 25 THR HA H 25 4.063 4.049 0.014 1
1 287 . 7 1 1 A 25 25 THR C C 25 177.054 175.723 1.331 1
1 288 . 7 1 1 A 25 25 THR CA C 25 66.635 65.120 1.515 1
1 289 . 7 1 1 A 25 25 THR CB C 25 68.068 68.623 -0.555 1
1 291 . 7 1 1 A 25 25 THR N N 25 119.981 117.594 2.387 1
1 292 . 7 1 1 A 26 26 ALA H H 26 7.100 7.879 -0.779 1
1 293 . 7 1 1 A 26 26 ALA HA H 26 3.364 3.658 -0.294 1
1 297 . 7 1 1 A 26 26 ALA C C 26 177.098 178.919 -1.821 1
1 298 . 7 1 1 A 26 26 ALA CA C 26 55.502 54.667 0.835 1
1 299 . 7 1 1 A 26 26 ALA CB C 26 17.127 17.334 -0.207 1
1 300 . 7 1 1 A 26 26 ALA N N 26 124.535 123.655 0.880 1
1 301 . 7 1 1 A 27 27 GLU H H 27 8.739 8.457 0.282 1
1 302 . 7 1 1 A 27 27 GLU HA H 27 2.941 3.781 -0.840 1
1 307 . 7 1 1 A 27 27 GLU C C 27 177.368 178.587 -1.219 1
1 308 . 7 1 1 A 27 27 GLU CA C 27 60.190 59.472 0.718 1
1 309 . 7 1 1 A 27 27 GLU CB C 27 29.225 28.835 0.390 1
1 311 . 7 1 1 A 27 27 GLU N N 27 118.116 118.099 0.017 1
1 312 . 7 1 1 A 28 28 LYS H H 28 7.333 7.586 -0.253 1
1 313 . 7 1 1 A 28 28 LYS HA H 28 3.764 4.073 -0.309 1
1 320 . 7 1 1 A 28 28 LYS C C 28 178.993 178.489 0.504 1
1 321 . 7 1 1 A 28 28 LYS CA C 28 59.881 58.861 1.020 1
1 322 . 7 1 1 A 28 28 LYS CB C 28 32.382 32.017 0.365 1
1 324 . 7 1 1 A 28 28 LYS N N 28 116.088 118.339 -2.251 1
1 325 . 7 1 1 A 29 29 TYR H H 29 7.016 7.977 -0.961 1
1 326 . 7 1 1 A 29 29 TYR HA H 29 4.273 4.289 -0.016 1
1 333 . 7 1 1 A 29 29 TYR C C 29 177.581 177.667 -0.086 1
1 334 . 7 1 1 A 29 29 TYR CA C 29 61.050 61.408 -0.358 1
1 335 . 7 1 1 A 29 29 TYR CB C 29 37.860 38.472 -0.612 1
1 340 . 7 1 1 A 29 29 TYR N N 29 119.155 121.934 -2.779 1
1 341 . 7 1 1 A 30 30 PHE H H 30 8.775 9.007 -0.232 1
1 342 . 7 1 1 A 30 30 PHE HA H 30 4.619 4.163 0.456 1
1 349 . 7 1 1 A 30 30 PHE C C 30 178.612 177.878 0.734 1
1 350 . 7 1 1 A 30 30 PHE CA C 30 57.312 62.435 -5.123 1
1 351 . 7 1 1 A 30 30 PHE CB C 30 37.667 38.411 -0.744 1
1 356 . 7 1 1 A 30 30 PHE N N 30 118.969 119.058 -0.089 1
1 357 . 7 1 1 A 31 31 LYS H H 31 8.977 9.030 -0.053 1
1 358 . 7 1 1 A 31 31 LYS HA H 31 4.141 4.318 -0.177 1
1 363 . 7 1 1 A 31 31 LYS C C 31 178.781 178.783 -0.002 1
1 364 . 7 1 1 A 31 31 LYS CA C 31 59.878 59.837 0.041 1
1 365 . 7 1 1 A 31 31 LYS CB C 31 31.707 32.376 -0.669 1
1 367 . 7 1 1 A 31 31 LYS N N 31 121.474 120.634 0.840 1
1 368 . 7 1 1 A 32 32 LEU H H 32 7.215 7.864 -0.649 1
1 369 . 7 1 1 A 32 32 LEU HA H 32 4.179 3.995 0.184 1
1 376 . 7 1 1 A 32 32 LEU C C 32 180.639 179.369 1.270 1
1 377 . 7 1 1 A 32 32 LEU CA C 32 57.933 57.967 -0.034 1
1 378 . 7 1 1 A 32 32 LEU CB C 32 41.283 41.573 -0.290 1
1 381 . 7 1 1 A 32 32 LEU N N 32 118.836 119.078 -0.242 1
1 382 . 7 1 1 A 33 33 ILE H H 33 7.397 7.619 -0.222 1
1 383 . 7 1 1 A 33 33 ILE HA H 33 3.896 3.852 0.044 1
1 388 . 7 1 1 A 33 33 ILE C C 33 178.546 177.585 0.961 1
1 389 . 7 1 1 A 33 33 ILE CA C 33 63.892 63.507 0.385 1
1 390 . 7 1 1 A 33 33 ILE CB C 33 37.582 37.475 0.107 1
1 393 . 7 1 1 A 33 33 ILE N N 33 118.838 119.652 -0.814 1
1 394 . 7 1 1 A 34 34 ALA H H 34 8.593 8.129 0.464 1
1 395 . 7 1 1 A 34 34 ALA HA H 34 3.984 3.957 0.027 1
1 399 . 7 1 1 A 34 34 ALA C C 34 179.571 179.653 -0.082 1
1 400 . 7 1 1 A 34 34 ALA CA C 34 55.141 55.519 -0.378 1
1 401 . 7 1 1 A 34 34 ALA CB C 34 18.671 18.909 -0.238 1
1 402 . 7 1 1 A 34 34 ALA N N 34 121.471 124.196 -2.725 1
1 403 . 7 1 1 A 35 35 ASN H H 35 8.503 8.454 0.049 1
1 404 . 7 1 1 A 35 35 ASN HA H 35 4.707 4.764 -0.057 1
1 409 . 7 1 1 A 35 35 ASN C C 35 177.434 177.303 0.131 1
1 410 . 7 1 1 A 35 35 ASN CA C 35 55.732 55.416 0.316 1
1 411 . 7 1 1 A 35 35 ASN CB C 35 38.224 37.121 1.103 1
1 412 . 7 1 1 A 35 35 ASN N N 35 116.283 116.369 -0.086 1
1 414 . 7 1 1 A 36 36 ALA H H 36 7.610 7.473 0.137 1
1 415 . 7 1 1 A 36 36 ALA HA H 36 4.363 4.067 0.296 1
1 419 . 7 1 1 A 36 36 ALA C C 36 178.715 179.328 -0.613 1
1 420 . 7 1 1 A 36 36 ALA CA C 36 54.004 55.262 -1.258 1
1 421 . 7 1 1 A 36 36 ALA CB C 36 19.224 18.985 0.239 1
1 422 . 7 1 1 A 36 36 ALA N N 36 120.620 121.910 -1.290 1
1 423 . 7 1 1 A 37 37 LYS H H 37 7.673 8.170 -0.497 1
1 424 . 7 1 1 A 37 37 LYS HA H 37 4.436 4.159 0.277 1
1 431 . 7 1 1 A 37 37 LYS C C 37 175.876 176.013 -0.137 1
1 432 . 7 1 1 A 37 37 LYS CA C 37 56.284 58.449 -2.165 1
1 433 . 7 1 1 A 37 37 LYS CB C 37 34.026 31.851 2.175 1
1 437 . 7 1 1 A 37 37 LYS N N 37 116.344 116.418 -0.074 1
1 438 . 7 1 1 A 38 38 THR H H 38 8.122 8.453 -0.331 1
1 439 . 7 1 1 A 38 38 THR HA H 38 4.409 4.878 -0.469 1
1 444 . 7 1 1 A 38 38 THR C C 38 172.766 173.914 -1.148 1
1 445 . 7 1 1 A 38 38 THR CA C 38 61.468 59.711 1.757 1
1 446 . 7 1 1 A 38 38 THR CB C 38 69.124 72.541 -3.417 1
1 448 . 7 1 1 A 38 38 THR N N 38 113.585 109.604 3.981 1
1 449 . 7 1 1 A 39 39 VAL H H 39 8.254 8.648 -0.394 1
1 450 . 7 1 1 A 39 39 VAL HA H 39 4.399 4.520 -0.121 1
1 455 . 7 1 1 A 39 39 VAL C C 39 176.183 175.187 0.996 1
1 456 . 7 1 1 A 39 39 VAL CA C 39 62.431 60.775 1.656 1
1 457 . 7 1 1 A 39 39 VAL CB C 39 32.795 32.194 0.601 1
1 459 . 7 1 1 A 39 39 VAL N N 39 120.756 118.728 2.028 1
1 460 . 7 1 1 A 40 40 GLU H H 40 8.732 7.680 1.052 1
1 461 . 7 1 1 A 40 40 GLU HA H 40 4.711 4.744 -0.033 1
1 464 . 7 1 1 A 40 40 GLU C C 40 175.571 175.211 0.360 1
1 465 . 7 1 1 A 40 40 GLU CA C 40 55.569 56.414 -0.845 1
1 466 . 7 1 1 A 40 40 GLU CB C 40 30.469 32.691 -2.222 1
1 468 . 7 1 1 A 40 40 GLU N N 40 124.791 121.603 3.188 1
1 469 . 7 1 1 A 41 41 GLY H H 41 8.145 8.462 -0.317 1
1 470 . 7 1 1 A 41 41 GLY HA2 H 41 4.236 4.188 0.048 1
1 471 . 7 1 1 A 41 41 GLY HA3 H 41 3.589 4.203 -0.614 1
1 472 . 7 1 1 A 41 41 GLY C C 41 172.517 171.760 0.757 1
1 473 . 7 1 1 A 41 41 GLY CA C 41 45.203 45.618 -0.415 1
1 474 . 7 1 1 A 41 41 GLY N N 41 107.758 111.295 -3.537 1
1 475 . 7 1 1 A 42 42 VAL H H 42 8.490 8.692 -0.202 1
1 476 . 7 1 1 A 42 42 VAL HA H 42 4.525 4.701 -0.176 1
1 481 . 7 1 1 A 42 42 VAL C C 42 176.739 175.960 0.779 1
1 482 . 7 1 1 A 42 42 VAL CA C 42 62.354 61.810 0.544 1
1 483 . 7 1 1 A 42 42 VAL CB C 42 33.355 32.516 0.839 1
1 485 . 7 1 1 A 42 42 VAL N N 42 121.959 119.758 2.201 1
1 486 . 7 1 1 A 43 43 TRP H H 43 9.465 9.008 0.457 1
1 487 . 7 1 1 A 43 43 TRP HA H 43 5.375 5.211 0.164 1
1 495 . 7 1 1 A 43 43 TRP C C 43 177.127 176.490 0.637 1
1 496 . 7 1 1 A 43 43 TRP CA C 43 58.056 57.768 0.288 1
1 497 . 7 1 1 A 43 43 TRP CB C 43 29.740 30.661 -0.921 1
1 502 . 7 1 1 A 43 43 TRP N N 43 130.804 129.215 1.589 1
1 504 . 7 1 1 A 44 44 THR H H 44 9.380 8.661 0.719 1
1 505 . 7 1 1 A 44 44 THR HA H 44 4.908 5.364 -0.456 1
1 510 . 7 1 1 A 44 44 THR C C 44 172.803 172.820 -0.017 1
1 511 . 7 1 1 A 44 44 THR CA C 44 61.075 60.726 0.349 1
1 512 . 7 1 1 A 44 44 THR CB C 44 72.681 72.304 0.377 1
1 514 . 7 1 1 A 44 44 THR N N 44 115.117 113.817 1.300 1
1 515 . 7 1 1 A 45 45 TYR H H 45 8.773 8.968 -0.195 1
1 516 . 7 1 1 A 45 45 TYR HA H 45 5.143 5.776 -0.633 1
1 521 . 7 1 1 A 45 45 TYR C C 45 174.047 173.173 0.874 1
1 522 . 7 1 1 A 45 45 TYR CA C 45 57.154 56.971 0.183 1
1 523 . 7 1 1 A 45 45 TYR CB C 45 41.212 42.662 -1.450 1
1 526 . 7 1 1 A 45 45 TYR N N 45 121.946 122.872 -0.926 1
1 527 . 7 1 1 A 46 46 LYS H H 46 7.505 8.942 -1.437 1
1 528 . 7 1 1 A 46 46 LYS HA H 46 4.457 4.706 -0.249 1
1 533 . 7 1 1 A 46 46 LYS C C 46 175.444 173.875 1.569 1
1 534 . 7 1 1 A 46 46 LYS CA C 46 53.992 53.811 0.181 1
1 535 . 7 1 1 A 46 46 LYS CB C 46 33.875 35.589 -1.714 1
1 539 . 7 1 1 A 46 46 LYS N N 46 128.658 126.918 1.740 1
1 540 . 7 1 1 A 47 47 ASP H H 47 8.807 8.630 0.177 1
1 541 . 7 1 1 A 47 47 ASP HA H 47 4.135 4.773 -0.638 1
1 544 . 7 1 1 A 47 47 ASP C C 47 179.380 176.049 3.331 1
1 545 . 7 1 1 A 47 47 ASP CA C 47 57.464 53.798 3.666 1
1 546 . 7 1 1 A 47 47 ASP CB C 47 42.288 41.788 0.500 1
1 547 . 7 1 1 A 47 47 ASP N N 47 126.643 126.062 0.581 1
1 548 . 7 1 1 A 48 48 GLU H H 48 9.909 8.705 1.204 1
1 549 . 7 1 1 A 48 48 GLU HA H 48 4.172 4.312 -0.140 1
1 554 . 7 1 1 A 48 48 GLU C C 48 177.317 176.799 0.518 1
1 555 . 7 1 1 A 48 48 GLU CA C 48 59.979 57.344 2.635 1
1 556 . 7 1 1 A 48 48 GLU CB C 48 28.699 32.501 -3.802 1
1 558 . 7 1 1 A 48 48 GLU N N 48 118.400 123.403 -5.003 1
1 559 . 7 1 1 A 49 49 ILE H H 49 6.510 7.772 -1.262 1
1 560 . 7 1 1 A 49 49 ILE HA H 49 4.697 4.339 0.358 1
1 568 . 7 1 1 A 49 49 ILE C C 49 175.868 175.255 0.613 1
1 569 . 7 1 1 A 49 49 ILE CA C 49 60.318 59.948 0.370 1
1 570 . 7 1 1 A 49 49 ILE CB C 49 38.324 37.808 0.516 1
1 574 . 7 1 1 A 49 49 ILE N N 49 105.782 113.138 -7.356 1
1 575 . 7 1 1 A 50 50 LYS H H 50 7.991 7.828 0.163 1
1 576 . 7 1 1 A 50 50 LYS HA H 50 4.336 4.012 0.324 1
1 581 . 7 1 1 A 50 50 LYS C C 50 174.829 174.818 0.011 1
1 582 . 7 1 1 A 50 50 LYS CA C 50 55.959 56.883 -0.924 1
1 583 . 7 1 1 A 50 50 LYS CB C 50 29.232 30.690 -1.458 1
1 585 . 7 1 1 A 50 50 LYS N N 50 124.329 116.712 7.617 1
1 586 . 7 1 1 A 51 51 THR H H 51 7.174 7.172 0.002 1
1 587 . 7 1 1 A 51 51 THR HA H 51 5.774 5.313 0.461 1
1 592 . 7 1 1 A 51 51 THR C C 51 173.893 172.021 1.872 1
1 593 . 7 1 1 A 51 51 THR CA C 51 62.217 59.848 2.369 1
1 594 . 7 1 1 A 51 51 THR CB C 51 73.248 71.811 1.437 1
1 596 . 7 1 1 A 51 51 THR N N 51 109.849 114.128 -4.279 1
1 597 . 7 1 1 A 52 52 PHE H H 52 10.338 9.629 0.709 1
1 598 . 7 1 1 A 52 52 PHE HA H 52 5.693 5.897 -0.204 1
1 605 . 7 1 1 A 52 52 PHE C C 52 174.361 175.044 -0.683 1
1 606 . 7 1 1 A 52 52 PHE CA C 52 57.260 56.107 1.153 1
1 607 . 7 1 1 A 52 52 PHE CB C 52 42.130 43.684 -1.554 1
1 612 . 7 1 1 A 52 52 PHE N N 52 130.662 125.880 4.782 1
1 613 . 7 1 1 A 53 53 THR H H 53 9.262 9.551 -0.289 1
1 614 . 7 1 1 A 53 53 THR HA H 53 5.288 4.825 0.463 1
1 619 . 7 1 1 A 53 53 THR C C 53 172.678 173.360 -0.682 1
1 620 . 7 1 1 A 53 53 THR CA C 53 61.511 61.244 0.267 1
1 621 . 7 1 1 A 53 53 THR CB C 53 70.861 72.173 -1.312 1
1 623 . 7 1 1 A 53 53 THR N N 53 118.205 115.140 3.065 1
1 624 . 7 1 1 A 54 54 VAL H H 54 8.628 8.824 -0.196 1
1 625 . 7 1 1 A 54 54 VAL HA H 54 4.599 5.013 -0.414 1
1 633 . 7 1 1 A 54 54 VAL C C 54 174.090 174.185 -0.095 1
1 634 . 7 1 1 A 54 54 VAL CA C 54 59.646 60.204 -0.558 1
1 635 . 7 1 1 A 54 54 VAL CB C 54 32.737 33.714 -0.977 1
1 637 . 7 1 1 A 54 54 VAL N N 54 125.183 123.219 1.964 1
1 638 . 7 1 1 A 55 55 THR H H 55 8.434 8.675 -0.241 1
1 639 . 7 1 1 A 55 55 THR HA H 55 4.951 4.893 0.058 1
1 644 . 7 1 1 A 55 55 THR C C 55 173.695 172.970 0.725 1
1 645 . 7 1 1 A 55 55 THR CA C 55 61.219 61.620 -0.401 1
1 646 . 7 1 1 A 55 55 THR CB C 55 71.454 69.883 1.571 1
1 648 . 7 1 1 A 55 55 THR N N 55 122.255 124.084 -1.829 1
1 9 . 8 1 1 A 2 2 THR H H 2 8.931 7.603 1.328 1
1 10 . 8 1 1 A 2 2 THR HA H 2 4.504 4.884 -0.380 1
1 15 . 8 1 1 A 2 2 THR C C 2 172.828 172.902 -0.074 1
1 16 . 8 1 1 A 2 2 THR CA C 2 63.506 61.659 1.847 1
1 17 . 8 1 1 A 2 2 THR CB C 2 68.833 70.614 -1.781 1
1 19 . 8 1 1 A 2 2 THR N N 2 124.414 114.391 10.023 1
1 20 . 8 1 1 A 3 3 TYR H H 3 9.041 8.879 0.162 1
1 21 . 8 1 1 A 3 3 TYR HA H 3 5.453 5.602 -0.149 1
1 26 . 8 1 1 A 3 3 TYR C C 3 174.672 175.481 -0.809 1
1 27 . 8 1 1 A 3 3 TYR CA C 3 57.886 57.235 0.651 1
1 28 . 8 1 1 A 3 3 TYR CB C 3 42.295 41.543 0.752 1
1 31 . 8 1 1 A 3 3 TYR N N 3 127.469 126.800 0.669 1
1 32 . 8 1 1 A 4 4 LYS H H 4 9.046 8.542 0.504 1
1 33 . 8 1 1 A 4 4 LYS HA H 4 5.547 5.549 -0.002 1
1 40 . 8 1 1 A 4 4 LYS C C 4 173.092 174.838 -1.746 1
1 41 . 8 1 1 A 4 4 LYS CA C 4 55.112 55.075 0.037 1
1 42 . 8 1 1 A 4 4 LYS CB C 4 35.889 36.662 -0.773 1
1 46 . 8 1 1 A 4 4 LYS N N 4 121.164 121.202 -0.038 1
1 47 . 8 1 1 A 5 5 LEU H H 5 9.017 9.734 -0.717 1
1 48 . 8 1 1 A 5 5 LEU HA H 5 5.095 5.497 -0.402 1
1 58 . 8 1 1 A 5 5 LEU C C 5 174.914 174.324 0.590 1
1 59 . 8 1 1 A 5 5 LEU CA C 5 52.648 53.225 -0.577 1
1 60 . 8 1 1 A 5 5 LEU CB C 5 43.729 44.794 -1.065 1
1 63 . 8 1 1 A 5 5 LEU N N 5 126.371 123.915 2.456 1
1 64 . 8 1 1 A 6 6 ILE H H 6 9.129 9.238 -0.109 1
1 65 . 8 1 1 A 6 6 ILE HA H 6 4.502 4.680 -0.178 1
1 70 . 8 1 1 A 6 6 ILE C C 6 174.654 174.434 0.220 1
1 71 . 8 1 1 A 6 6 ILE CA C 6 60.366 60.210 0.156 1
1 72 . 8 1 1 A 6 6 ILE CB C 6 38.760 38.581 0.179 1
1 76 . 8 1 1 A 6 6 ILE N N 6 126.264 126.679 -0.415 1
1 77 . 8 1 1 A 7 7 LEU H H 7 8.956 9.119 -0.163 1
1 78 . 8 1 1 A 7 7 LEU HA H 7 4.570 4.948 -0.378 1
1 84 . 8 1 1 A 7 7 LEU C C 7 174.493 175.120 -0.627 1
1 85 . 8 1 1 A 7 7 LEU CA C 7 53.644 53.256 0.388 1
1 86 . 8 1 1 A 7 7 LEU CB C 7 41.339 43.712 -2.373 1
1 89 . 8 1 1 A 7 7 LEU N N 7 126.422 128.634 -2.212 1
1 90 . 8 1 1 A 8 8 ASN H H 8 9.065 8.787 0.278 1
1 91 . 8 1 1 A 8 8 ASN HA H 8 5.181 5.293 -0.112 1
1 96 . 8 1 1 A 8 8 ASN C C 8 174.434 173.962 0.472 1
1 97 . 8 1 1 A 8 8 ASN CA C 8 51.851 52.112 -0.261 1
1 98 . 8 1 1 A 8 8 ASN CB C 8 37.869 40.389 -2.520 1
1 99 . 8 1 1 A 8 8 ASN N N 8 125.633 123.965 1.668 1
1 101 . 8 1 1 A 9 9 LEU H H 9 7.720 8.534 -0.814 1
1 102 . 8 1 1 A 9 9 LEU HA H 9 4.754 4.868 -0.114 1
1 109 . 8 1 1 A 9 9 LEU C C 9 177.207 178.194 -0.987 1
1 110 . 8 1 1 A 9 9 LEU CA C 9 53.431 53.161 0.270 1
1 111 . 8 1 1 A 9 9 LEU CB C 9 41.451 44.274 -2.823 1
1 114 . 8 1 1 A 9 9 LEU N N 9 121.516 127.442 -5.926 1
1 115 . 8 1 1 A 10 10 LYS H H 10 9.251 8.999 0.252 1
1 116 . 8 1 1 A 10 10 LYS HA H 10 4.034 3.994 0.040 1
1 123 . 8 1 1 A 10 10 LYS C C 10 179.205 177.555 1.650 1
1 124 . 8 1 1 A 10 10 LYS CA C 10 59.720 60.122 -0.402 1
1 125 . 8 1 1 A 10 10 LYS CB C 10 31.834 32.121 -0.287 1
1 128 . 8 1 1 A 10 10 LYS N N 10 120.915 124.113 -3.198 1
1 129 . 8 1 1 A 11 11 GLN H H 11 8.566 7.632 0.934 1
1 130 . 8 1 1 A 11 11 GLN HA H 11 4.447 4.176 0.271 1
1 137 . 8 1 1 A 11 11 GLN C C 11 175.378 175.684 -0.306 1
1 138 . 8 1 1 A 11 11 GLN CA C 11 56.019 58.447 -2.428 1
1 139 . 8 1 1 A 11 11 GLN CB C 11 29.175 29.493 -0.318 1
1 141 . 8 1 1 A 11 11 GLN N N 11 113.391 118.080 -4.689 1
1 143 . 8 1 1 A 12 12 ALA H H 12 7.186 7.519 -0.333 1
1 144 . 8 1 1 A 12 12 ALA HA H 12 4.506 4.509 -0.003 1
1 148 . 8 1 1 A 12 12 ALA C C 12 174.369 174.469 -0.100 1
1 149 . 8 1 1 A 12 12 ALA CA C 12 52.485 51.297 1.188 1
1 150 . 8 1 1 A 12 12 ALA CB C 12 21.424 22.220 -0.796 1
1 151 . 8 1 1 A 12 12 ALA N N 12 120.106 117.667 2.439 1
1 152 . 8 1 1 A 13 13 LYS H H 13 8.298 8.492 -0.194 1
1 153 . 8 1 1 A 13 13 LYS HA H 13 5.392 5.182 0.210 1
1 158 . 8 1 1 A 13 13 LYS C C 13 176.285 174.722 1.563 1
1 159 . 8 1 1 A 13 13 LYS CA C 13 55.138 54.686 0.452 1
1 160 . 8 1 1 A 13 13 LYS CB C 13 33.656 35.394 -1.738 1
1 164 . 8 1 1 A 13 13 LYS N N 13 120.804 118.958 1.846 1
1 165 . 8 1 1 A 14 14 GLU H H 14 8.640 8.679 -0.039 1
1 166 . 8 1 1 A 14 14 GLU HA H 14 4.879 5.132 -0.253 1
1 171 . 8 1 1 A 14 14 GLU C C 14 174.032 174.985 -0.953 1
1 172 . 8 1 1 A 14 14 GLU CA C 14 54.909 54.461 0.448 1
1 173 . 8 1 1 A 14 14 GLU CB C 14 34.407 33.569 0.838 1
1 175 . 8 1 1 A 14 14 GLU N N 14 123.450 125.126 -1.676 1
1 176 . 8 1 1 A 15 15 GLU H H 15 8.642 8.731 -0.089 1
1 177 . 8 1 1 A 15 15 GLU HA H 15 5.631 5.013 0.618 1
1 182 . 8 1 1 A 15 15 GLU C C 15 175.503 175.404 0.099 1
1 183 . 8 1 1 A 15 15 GLU CA C 15 54.638 54.947 -0.309 1
1 184 . 8 1 1 A 15 15 GLU CB C 15 34.147 31.879 2.268 1
1 186 . 8 1 1 A 15 15 GLU N N 15 120.056 122.109 -2.053 1
1 187 . 8 1 1 A 16 16 ALA H H 16 9.166 9.407 -0.241 1
1 188 . 8 1 1 A 16 16 ALA HA H 16 4.981 5.641 -0.660 1
1 192 . 8 1 1 A 16 16 ALA C C 16 175.027 176.782 -1.755 1
1 193 . 8 1 1 A 16 16 ALA CA C 16 51.324 50.143 1.181 1
1 194 . 8 1 1 A 16 16 ALA CB C 16 22.552 21.886 0.666 1
1 195 . 8 1 1 A 16 16 ALA N N 16 124.648 127.367 -2.719 1
1 196 . 8 1 1 A 17 17 ILE H H 17 8.645 9.122 -0.477 1
1 197 . 8 1 1 A 17 17 ILE HA H 17 5.672 5.532 0.140 1
1 207 . 8 1 1 A 17 17 ILE C C 17 175.737 174.658 1.079 1
1 208 . 8 1 1 A 17 17 ILE CA C 17 59.733 58.896 0.837 1
1 209 . 8 1 1 A 17 17 ILE CB C 17 42.219 42.747 -0.528 1
1 213 . 8 1 1 A 17 17 ILE N N 17 116.684 117.565 -0.881 1
1 214 . 8 1 1 A 18 18 LYS H H 18 9.243 8.526 0.717 1
1 215 . 8 1 1 A 18 18 LYS HA H 18 4.548 4.596 -0.048 1
1 222 . 8 1 1 A 18 18 LYS C C 18 174.039 173.818 0.221 1
1 223 . 8 1 1 A 18 18 LYS CA C 18 54.956 55.751 -0.795 1
1 224 . 8 1 1 A 18 18 LYS CB C 18 37.101 36.377 0.724 1
1 228 . 8 1 1 A 18 18 LYS N N 18 123.578 121.989 1.589 1
1 229 . 8 1 1 A 19 19 GLU H H 19 8.812 8.714 0.098 1
1 230 . 8 1 1 A 19 19 GLU HA H 19 5.184 5.218 -0.034 1
1 233 . 8 1 1 A 19 19 GLU C C 19 175.912 175.435 0.477 1
1 234 . 8 1 1 A 19 19 GLU CA C 19 55.340 55.132 0.208 1
1 235 . 8 1 1 A 19 19 GLU CB C 19 29.224 30.848 -1.624 1
1 237 . 8 1 1 A 19 19 GLU N N 19 129.720 123.922 5.798 1
1 238 . 8 1 1 A 20 20 ALA H H 20 9.425 8.916 0.509 1
1 239 . 8 1 1 A 20 20 ALA HA H 20 4.935 5.007 -0.072 1
1 243 . 8 1 1 A 20 20 ALA C C 20 177.376 176.826 0.550 1
1 244 . 8 1 1 A 20 20 ALA CA C 20 51.128 50.688 0.440 1
1 245 . 8 1 1 A 20 20 ALA CB C 20 23.405 23.860 -0.455 1
1 246 . 8 1 1 A 20 20 ALA N N 20 127.622 125.763 1.859 1
1 247 . 8 1 1 A 21 21 VAL H H 21 8.620 8.586 0.034 1
1 248 . 8 1 1 A 21 21 VAL HA H 21 4.262 4.328 -0.066 1
1 253 . 8 1 1 A 21 21 VAL C C 21 175.539 174.574 0.965 1
1 254 . 8 1 1 A 21 21 VAL CA C 21 63.598 61.261 2.337 1
1 255 . 8 1 1 A 21 21 VAL CB C 21 31.839 31.699 0.140 1
1 257 . 8 1 1 A 21 21 VAL N N 21 115.529 117.335 -1.806 1
1 258 . 8 1 1 A 22 22 ASP H H 22 7.405 7.822 -0.417 1
1 259 . 8 1 1 A 22 22 ASP HA H 22 4.946 4.873 0.073 1
1 262 . 8 1 1 A 22 22 ASP C C 22 174.734 174.663 0.071 1
1 263 . 8 1 1 A 22 22 ASP CA C 22 52.601 52.995 -0.394 1
1 264 . 8 1 1 A 22 22 ASP CB C 22 42.748 43.995 -1.247 1
1 265 . 8 1 1 A 22 22 ASP N N 22 115.513 119.867 -4.354 1
1 266 . 8 1 1 A 23 23 ALA H H 23 8.614 8.374 0.240 1
1 267 . 8 1 1 A 23 23 ALA HA H 23 3.294 3.722 -0.428 1
1 271 . 8 1 1 A 23 23 ALA C C 23 179.849 178.833 1.016 1
1 272 . 8 1 1 A 23 23 ALA CA C 23 54.858 52.749 2.109 1
1 273 . 8 1 1 A 23 23 ALA CB C 23 17.424 20.559 -3.135 1
1 274 . 8 1 1 A 23 23 ALA N N 23 121.829 122.493 -0.664 1
1 275 . 8 1 1 A 24 24 GLY H H 24 8.555 8.473 0.082 1
1 276 . 8 1 1 A 24 24 GLY HA2 H 24 3.851 3.869 -0.018 1
1 277 . 8 1 1 A 24 24 GLY HA3 H 24 3.851 3.883 -0.032 1
1 278 . 8 1 1 A 24 24 GLY C C 24 177.142 176.498 0.644 1
1 279 . 8 1 1 A 24 24 GLY CA C 24 46.839 46.907 -0.068 1
1 280 . 8 1 1 A 24 24 GLY N N 24 106.435 106.585 -0.150 1
1 281 . 8 1 1 A 25 25 THR H H 25 8.241 7.930 0.311 1
1 282 . 8 1 1 A 25 25 THR HA H 25 4.063 4.058 0.005 1
1 287 . 8 1 1 A 25 25 THR C C 25 177.054 176.000 1.054 1
1 288 . 8 1 1 A 25 25 THR CA C 25 66.635 65.282 1.353 1
1 289 . 8 1 1 A 25 25 THR CB C 25 68.068 68.560 -0.492 1
1 291 . 8 1 1 A 25 25 THR N N 25 119.981 117.538 2.443 1
1 292 . 8 1 1 A 26 26 ALA H H 26 7.100 8.031 -0.931 1
1 293 . 8 1 1 A 26 26 ALA HA H 26 3.364 3.676 -0.312 1
1 297 . 8 1 1 A 26 26 ALA C C 26 177.098 178.998 -1.900 1
1 298 . 8 1 1 A 26 26 ALA CA C 26 55.502 54.793 0.709 1
1 299 . 8 1 1 A 26 26 ALA CB C 26 17.127 17.816 -0.689 1
1 300 . 8 1 1 A 26 26 ALA N N 26 124.535 123.887 0.648 1
1 301 . 8 1 1 A 27 27 GLU H H 27 8.739 8.276 0.463 1
1 302 . 8 1 1 A 27 27 GLU HA H 27 2.941 3.877 -0.936 1
1 307 . 8 1 1 A 27 27 GLU C C 27 177.368 178.498 -1.130 1
1 308 . 8 1 1 A 27 27 GLU CA C 27 60.190 59.613 0.577 1
1 309 . 8 1 1 A 27 27 GLU CB C 27 29.225 29.096 0.129 1
1 311 . 8 1 1 A 27 27 GLU N N 27 118.116 118.591 -0.475 1
1 312 . 8 1 1 A 28 28 LYS H H 28 7.333 7.509 -0.176 1
1 313 . 8 1 1 A 28 28 LYS HA H 28 3.764 4.049 -0.285 1
1 320 . 8 1 1 A 28 28 LYS C C 28 178.993 178.498 0.495 1
1 321 . 8 1 1 A 28 28 LYS CA C 28 59.881 58.749 1.132 1
1 322 . 8 1 1 A 28 28 LYS CB C 28 32.382 32.118 0.264 1
1 324 . 8 1 1 A 28 28 LYS N N 28 116.088 118.301 -2.213 1
1 325 . 8 1 1 A 29 29 TYR H H 29 7.016 7.837 -0.821 1
1 326 . 8 1 1 A 29 29 TYR HA H 29 4.273 4.192 0.081 1
1 333 . 8 1 1 A 29 29 TYR C C 29 177.581 177.548 0.033 1
1 334 . 8 1 1 A 29 29 TYR CA C 29 61.050 61.425 -0.375 1
1 335 . 8 1 1 A 29 29 TYR CB C 29 37.860 38.426 -0.566 1
1 340 . 8 1 1 A 29 29 TYR N N 29 119.155 121.623 -2.468 1
1 341 . 8 1 1 A 30 30 PHE H H 30 8.775 8.502 0.273 1
1 342 . 8 1 1 A 30 30 PHE HA H 30 4.619 4.140 0.479 1
1 349 . 8 1 1 A 30 30 PHE C C 30 178.612 177.713 0.899 1
1 350 . 8 1 1 A 30 30 PHE CA C 30 57.312 62.449 -5.137 1
1 351 . 8 1 1 A 30 30 PHE CB C 30 37.667 38.373 -0.706 1
1 356 . 8 1 1 A 30 30 PHE N N 30 118.969 118.506 0.463 1
1 357 . 8 1 1 A 31 31 LYS H H 31 8.977 8.908 0.069 1
1 358 . 8 1 1 A 31 31 LYS HA H 31 4.141 4.342 -0.201 1
1 363 . 8 1 1 A 31 31 LYS C C 31 178.781 179.128 -0.347 1
1 364 . 8 1 1 A 31 31 LYS CA C 31 59.878 59.554 0.324 1
1 365 . 8 1 1 A 31 31 LYS CB C 31 31.707 32.316 -0.609 1
1 367 . 8 1 1 A 31 31 LYS N N 31 121.474 120.685 0.789 1
1 368 . 8 1 1 A 32 32 LEU H H 32 7.215 7.768 -0.553 1
1 369 . 8 1 1 A 32 32 LEU HA H 32 4.179 4.040 0.139 1
1 376 . 8 1 1 A 32 32 LEU C C 32 180.639 179.379 1.260 1
1 377 . 8 1 1 A 32 32 LEU CA C 32 57.933 57.862 0.071 1
1 378 . 8 1 1 A 32 32 LEU CB C 32 41.283 41.470 -0.187 1
1 381 . 8 1 1 A 32 32 LEU N N 32 118.836 119.244 -0.408 1
1 382 . 8 1 1 A 33 33 ILE H H 33 7.397 7.639 -0.242 1
1 383 . 8 1 1 A 33 33 ILE HA H 33 3.896 3.865 0.031 1
1 388 . 8 1 1 A 33 33 ILE C C 33 178.546 177.607 0.939 1
1 389 . 8 1 1 A 33 33 ILE CA C 33 63.892 63.723 0.169 1
1 390 . 8 1 1 A 33 33 ILE CB C 33 37.582 37.682 -0.100 1
1 393 . 8 1 1 A 33 33 ILE N N 33 118.838 119.853 -1.015 1
1 394 . 8 1 1 A 34 34 ALA H H 34 8.593 8.611 -0.018 1
1 395 . 8 1 1 A 34 34 ALA HA H 34 3.984 4.091 -0.107 1
1 399 . 8 1 1 A 34 34 ALA C C 34 179.571 180.479 -0.908 1
1 400 . 8 1 1 A 34 34 ALA CA C 34 55.141 55.554 -0.413 1
1 401 . 8 1 1 A 34 34 ALA CB C 34 18.671 18.715 -0.044 1
1 402 . 8 1 1 A 34 34 ALA N N 34 121.471 124.034 -2.563 1
1 403 . 8 1 1 A 35 35 ASN H H 35 8.503 8.196 0.307 1
1 404 . 8 1 1 A 35 35 ASN HA H 35 4.707 4.546 0.161 1
1 409 . 8 1 1 A 35 35 ASN C C 35 177.434 176.789 0.645 1
1 410 . 8 1 1 A 35 35 ASN CA C 35 55.732 55.829 -0.097 1
1 411 . 8 1 1 A 35 35 ASN CB C 35 38.224 38.469 -0.245 1
1 412 . 8 1 1 A 35 35 ASN N N 35 116.283 116.739 -0.456 1
1 414 . 8 1 1 A 36 36 ALA H H 36 7.610 7.475 0.135 1
1 415 . 8 1 1 A 36 36 ALA HA H 36 4.363 4.276 0.087 1
1 419 . 8 1 1 A 36 36 ALA C C 36 178.715 177.964 0.751 1
1 420 . 8 1 1 A 36 36 ALA CA C 36 54.004 52.458 1.546 1
1 421 . 8 1 1 A 36 36 ALA CB C 36 19.224 19.116 0.108 1
1 422 . 8 1 1 A 36 36 ALA N N 36 120.620 119.551 1.069 1
1 423 . 8 1 1 A 37 37 LYS H H 37 7.673 8.759 -1.086 1
1 424 . 8 1 1 A 37 37 LYS HA H 37 4.436 4.590 -0.154 1
1 431 . 8 1 1 A 37 37 LYS C C 37 175.876 175.532 0.344 1
1 432 . 8 1 1 A 37 37 LYS CA C 37 56.284 55.594 0.690 1
1 433 . 8 1 1 A 37 37 LYS CB C 37 34.026 33.521 0.505 1
1 437 . 8 1 1 A 37 37 LYS N N 37 116.344 115.055 1.289 1
1 438 . 8 1 1 A 38 38 THR H H 38 8.122 7.301 0.821 1
1 439 . 8 1 1 A 38 38 THR HA H 38 4.409 4.512 -0.103 1
1 444 . 8 1 1 A 38 38 THR C C 38 172.766 174.279 -1.513 1
1 445 . 8 1 1 A 38 38 THR CA C 38 61.468 63.317 -1.849 1
1 446 . 8 1 1 A 38 38 THR CB C 38 69.124 70.421 -1.297 1
1 448 . 8 1 1 A 38 38 THR N N 38 113.585 111.681 1.904 1
1 449 . 8 1 1 A 39 39 VAL H H 39 8.254 8.054 0.200 1
1 450 . 8 1 1 A 39 39 VAL HA H 39 4.399 3.775 0.624 1
1 455 . 8 1 1 A 39 39 VAL C C 39 176.183 174.499 1.684 1
1 456 . 8 1 1 A 39 39 VAL CA C 39 62.431 63.608 -1.177 1
1 457 . 8 1 1 A 39 39 VAL CB C 39 32.795 29.654 3.141 1
1 459 . 8 1 1 A 39 39 VAL N N 39 120.756 120.006 0.750 1
1 460 . 8 1 1 A 40 40 GLU H H 40 8.732 7.562 1.170 1
1 461 . 8 1 1 A 40 40 GLU HA H 40 4.711 4.813 -0.102 1
1 464 . 8 1 1 A 40 40 GLU C C 40 175.571 175.242 0.329 1
1 465 . 8 1 1 A 40 40 GLU CA C 40 55.569 56.003 -0.434 1
1 466 . 8 1 1 A 40 40 GLU CB C 40 30.469 32.919 -2.450 1
1 468 . 8 1 1 A 40 40 GLU N N 40 124.791 120.068 4.723 1
1 469 . 8 1 1 A 41 41 GLY H H 41 8.145 8.482 -0.337 1
1 470 . 8 1 1 A 41 41 GLY HA2 H 41 4.236 4.165 0.071 1
1 471 . 8 1 1 A 41 41 GLY HA3 H 41 3.589 4.182 -0.593 1
1 472 . 8 1 1 A 41 41 GLY C C 41 172.517 171.872 0.645 1
1 473 . 8 1 1 A 41 41 GLY CA C 41 45.203 45.244 -0.041 1
1 474 . 8 1 1 A 41 41 GLY N N 41 107.758 112.208 -4.450 1
1 475 . 8 1 1 A 42 42 VAL H H 42 8.490 8.549 -0.059 1
1 476 . 8 1 1 A 42 42 VAL HA H 42 4.525 4.756 -0.231 1
1 481 . 8 1 1 A 42 42 VAL C C 42 176.739 176.154 0.585 1
1 482 . 8 1 1 A 42 42 VAL CA C 42 62.354 61.903 0.451 1
1 483 . 8 1 1 A 42 42 VAL CB C 42 33.355 32.505 0.850 1
1 485 . 8 1 1 A 42 42 VAL N N 42 121.959 119.580 2.379 1
1 486 . 8 1 1 A 43 43 TRP H H 43 9.465 9.057 0.408 1
1 487 . 8 1 1 A 43 43 TRP HA H 43 5.375 5.248 0.127 1
1 495 . 8 1 1 A 43 43 TRP C C 43 177.127 176.535 0.592 1
1 496 . 8 1 1 A 43 43 TRP CA C 43 58.056 57.599 0.457 1
1 497 . 8 1 1 A 43 43 TRP CB C 43 29.740 30.812 -1.072 1
1 502 . 8 1 1 A 43 43 TRP N N 43 130.804 129.098 1.706 1
1 504 . 8 1 1 A 44 44 THR H H 44 9.380 8.454 0.926 1
1 505 . 8 1 1 A 44 44 THR HA H 44 4.908 5.325 -0.417 1
1 510 . 8 1 1 A 44 44 THR C C 44 172.803 172.561 0.242 1
1 511 . 8 1 1 A 44 44 THR CA C 44 61.075 60.784 0.291 1
1 512 . 8 1 1 A 44 44 THR CB C 44 72.681 72.202 0.479 1
1 514 . 8 1 1 A 44 44 THR N N 44 115.117 113.874 1.243 1
1 515 . 8 1 1 A 45 45 TYR H H 45 8.773 9.001 -0.228 1
1 516 . 8 1 1 A 45 45 TYR HA H 45 5.143 5.663 -0.520 1
1 521 . 8 1 1 A 45 45 TYR C C 45 174.047 173.776 0.271 1
1 522 . 8 1 1 A 45 45 TYR CA C 45 57.154 56.949 0.205 1
1 523 . 8 1 1 A 45 45 TYR CB C 45 41.212 42.419 -1.207 1
1 526 . 8 1 1 A 45 45 TYR N N 45 121.946 123.767 -1.821 1
1 527 . 8 1 1 A 46 46 LYS H H 46 7.505 8.258 -0.753 1
1 528 . 8 1 1 A 46 46 LYS HA H 46 4.457 4.676 -0.219 1
1 533 . 8 1 1 A 46 46 LYS C C 46 175.444 175.407 0.037 1
1 534 . 8 1 1 A 46 46 LYS CA C 46 53.992 54.303 -0.311 1
1 535 . 8 1 1 A 46 46 LYS CB C 46 33.875 34.672 -0.797 1
1 539 . 8 1 1 A 46 46 LYS N N 46 128.658 123.708 4.950 1
1 540 . 8 1 1 A 47 47 ASP H H 47 8.807 8.715 0.092 1
1 541 . 8 1 1 A 47 47 ASP HA H 47 4.135 4.273 -0.138 1
1 544 . 8 1 1 A 47 47 ASP C C 47 179.380 177.783 1.597 1
1 545 . 8 1 1 A 47 47 ASP CA C 47 57.464 56.064 1.400 1
1 546 . 8 1 1 A 47 47 ASP CB C 47 42.288 40.823 1.465 1
1 547 . 8 1 1 A 47 47 ASP N N 47 126.643 122.473 4.170 1
1 548 . 8 1 1 A 48 48 GLU H H 48 9.909 7.881 2.028 1
1 549 . 8 1 1 A 48 48 GLU HA H 48 4.172 4.108 0.064 1
1 554 . 8 1 1 A 48 48 GLU C C 48 177.317 177.473 -0.156 1
1 555 . 8 1 1 A 48 48 GLU CA C 48 59.979 59.188 0.791 1
1 556 . 8 1 1 A 48 48 GLU CB C 48 28.699 29.683 -0.984 1
1 558 . 8 1 1 A 48 48 GLU N N 48 118.400 116.915 1.485 1
1 559 . 8 1 1 A 49 49 ILE H H 49 6.510 6.775 -0.265 1
1 560 . 8 1 1 A 49 49 ILE HA H 49 4.697 4.268 0.429 1
1 568 . 8 1 1 A 49 49 ILE C C 49 175.868 175.339 0.529 1
1 569 . 8 1 1 A 49 49 ILE CA C 49 60.318 59.938 0.380 1
1 570 . 8 1 1 A 49 49 ILE CB C 49 38.324 38.474 -0.150 1
1 574 . 8 1 1 A 49 49 ILE N N 49 105.782 111.305 -5.523 1
1 575 . 8 1 1 A 50 50 LYS H H 50 7.991 7.657 0.334 1
1 576 . 8 1 1 A 50 50 LYS HA H 50 4.336 3.778 0.558 1
1 581 . 8 1 1 A 50 50 LYS C C 50 174.829 174.779 0.050 1
1 582 . 8 1 1 A 50 50 LYS CA C 50 55.959 56.789 -0.830 1
1 583 . 8 1 1 A 50 50 LYS CB C 50 29.232 30.144 -0.912 1
1 585 . 8 1 1 A 50 50 LYS N N 50 124.329 116.789 7.540 1
1 586 . 8 1 1 A 51 51 THR H H 51 7.174 7.088 0.086 1
1 587 . 8 1 1 A 51 51 THR HA H 51 5.774 5.111 0.663 1
1 592 . 8 1 1 A 51 51 THR C C 51 173.893 172.816 1.077 1
1 593 . 8 1 1 A 51 51 THR CA C 51 62.217 61.153 1.064 1
1 594 . 8 1 1 A 51 51 THR CB C 51 73.248 71.976 1.272 1
1 596 . 8 1 1 A 51 51 THR N N 51 109.849 113.375 -3.526 1
1 597 . 8 1 1 A 52 52 PHE H H 52 10.338 9.412 0.926 1
1 598 . 8 1 1 A 52 52 PHE HA H 52 5.693 5.986 -0.293 1
1 605 . 8 1 1 A 52 52 PHE C C 52 174.361 175.112 -0.751 1
1 606 . 8 1 1 A 52 52 PHE CA C 52 57.260 56.724 0.536 1
1 607 . 8 1 1 A 52 52 PHE CB C 52 42.130 42.162 -0.032 1
1 612 . 8 1 1 A 52 52 PHE N N 52 130.662 125.828 4.834 1
1 613 . 8 1 1 A 53 53 THR H H 53 9.262 9.204 0.058 1
1 614 . 8 1 1 A 53 53 THR HA H 53 5.288 4.895 0.393 1
1 619 . 8 1 1 A 53 53 THR C C 53 172.678 173.251 -0.573 1
1 620 . 8 1 1 A 53 53 THR CA C 53 61.511 61.110 0.401 1
1 621 . 8 1 1 A 53 53 THR CB C 53 70.861 72.099 -1.238 1
1 623 . 8 1 1 A 53 53 THR N N 53 118.205 114.524 3.681 1
1 624 . 8 1 1 A 54 54 VAL H H 54 8.628 8.735 -0.107 1
1 625 . 8 1 1 A 54 54 VAL HA H 54 4.599 4.973 -0.374 1
1 633 . 8 1 1 A 54 54 VAL C C 54 174.090 174.136 -0.046 1
1 634 . 8 1 1 A 54 54 VAL CA C 54 59.646 60.166 -0.520 1
1 635 . 8 1 1 A 54 54 VAL CB C 54 32.737 33.722 -0.985 1
1 637 . 8 1 1 A 54 54 VAL N N 54 125.183 123.139 2.044 1
1 638 . 8 1 1 A 55 55 THR H H 55 8.434 8.387 0.047 1
1 639 . 8 1 1 A 55 55 THR HA H 55 4.951 5.151 -0.200 1
1 644 . 8 1 1 A 55 55 THR C C 55 173.695 172.941 0.754 1
1 645 . 8 1 1 A 55 55 THR CA C 55 61.219 60.758 0.461 1
1 646 . 8 1 1 A 55 55 THR CB C 55 71.454 70.109 1.345 1
1 648 . 8 1 1 A 55 55 THR N N 55 122.255 120.120 2.135 1
1 9 . 9 1 1 A 2 2 THR H H 2 8.931 7.849 1.082 1
1 10 . 9 1 1 A 2 2 THR HA H 2 4.504 4.821 -0.317 1
1 15 . 9 1 1 A 2 2 THR C C 2 172.828 171.761 1.067 1
1 16 . 9 1 1 A 2 2 THR CA C 2 63.506 59.473 4.033 1
1 17 . 9 1 1 A 2 2 THR CB C 2 68.833 71.337 -2.504 1
1 19 . 9 1 1 A 2 2 THR N N 2 124.414 114.207 10.207 1
1 20 . 9 1 1 A 3 3 TYR H H 3 9.041 9.086 -0.045 1
1 21 . 9 1 1 A 3 3 TYR HA H 3 5.453 5.697 -0.244 1
1 26 . 9 1 1 A 3 3 TYR C C 3 174.672 175.530 -0.858 1
1 27 . 9 1 1 A 3 3 TYR CA C 3 57.886 56.401 1.485 1
1 28 . 9 1 1 A 3 3 TYR CB C 3 42.295 43.041 -0.746 1
1 31 . 9 1 1 A 3 3 TYR N N 3 127.469 126.226 1.243 1
1 32 . 9 1 1 A 4 4 LYS H H 4 9.046 8.687 0.359 1
1 33 . 9 1 1 A 4 4 LYS HA H 4 5.547 5.542 0.005 1
1 40 . 9 1 1 A 4 4 LYS C C 4 173.092 175.178 -2.086 1
1 41 . 9 1 1 A 4 4 LYS CA C 4 55.112 54.997 0.115 1
1 42 . 9 1 1 A 4 4 LYS CB C 4 35.889 36.647 -0.758 1
1 46 . 9 1 1 A 4 4 LYS N N 4 121.164 121.255 -0.091 1
1 47 . 9 1 1 A 5 5 LEU H H 5 9.017 9.308 -0.291 1
1 48 . 9 1 1 A 5 5 LEU HA H 5 5.095 5.710 -0.615 1
1 58 . 9 1 1 A 5 5 LEU C C 5 174.914 174.362 0.552 1
1 59 . 9 1 1 A 5 5 LEU CA C 5 52.648 53.710 -1.062 1
1 60 . 9 1 1 A 5 5 LEU CB C 5 43.729 45.364 -1.635 1
1 63 . 9 1 1 A 5 5 LEU N N 5 126.371 123.896 2.475 1
1 64 . 9 1 1 A 6 6 ILE H H 6 9.129 9.037 0.092 1
1 65 . 9 1 1 A 6 6 ILE HA H 6 4.502 4.642 -0.140 1
1 70 . 9 1 1 A 6 6 ILE C C 6 174.654 174.431 0.223 1
1 71 . 9 1 1 A 6 6 ILE CA C 6 60.366 60.280 0.086 1
1 72 . 9 1 1 A 6 6 ILE CB C 6 38.760 38.299 0.461 1
1 76 . 9 1 1 A 6 6 ILE N N 6 126.264 127.192 -0.928 1
1 77 . 9 1 1 A 7 7 LEU H H 7 8.956 9.151 -0.195 1
1 78 . 9 1 1 A 7 7 LEU HA H 7 4.570 4.819 -0.249 1
1 84 . 9 1 1 A 7 7 LEU C C 7 174.493 175.006 -0.513 1
1 85 . 9 1 1 A 7 7 LEU CA C 7 53.644 53.791 -0.147 1
1 86 . 9 1 1 A 7 7 LEU CB C 7 41.339 42.374 -1.035 1
1 89 . 9 1 1 A 7 7 LEU N N 7 126.422 128.540 -2.118 1
1 90 . 9 1 1 A 8 8 ASN H H 8 9.065 8.740 0.325 1
1 91 . 9 1 1 A 8 8 ASN HA H 8 5.181 5.289 -0.108 1
1 96 . 9 1 1 A 8 8 ASN C C 8 174.434 173.967 0.467 1
1 97 . 9 1 1 A 8 8 ASN CA C 8 51.851 51.937 -0.086 1
1 98 . 9 1 1 A 8 8 ASN CB C 8 37.869 39.675 -1.806 1
1 99 . 9 1 1 A 8 8 ASN N N 8 125.633 123.966 1.667 1
1 101 . 9 1 1 A 9 9 LEU H H 9 7.720 8.632 -0.912 1
1 102 . 9 1 1 A 9 9 LEU HA H 9 4.754 4.739 0.015 1
1 109 . 9 1 1 A 9 9 LEU C C 9 177.207 178.058 -0.851 1
1 110 . 9 1 1 A 9 9 LEU CA C 9 53.431 53.554 -0.123 1
1 111 . 9 1 1 A 9 9 LEU CB C 9 41.451 43.093 -1.642 1
1 114 . 9 1 1 A 9 9 LEU N N 9 121.516 127.270 -5.754 1
1 115 . 9 1 1 A 10 10 LYS H H 10 9.251 8.882 0.369 1
1 116 . 9 1 1 A 10 10 LYS HA H 10 4.034 4.090 -0.056 1
1 123 . 9 1 1 A 10 10 LYS C C 10 179.205 176.210 2.995 1
1 124 . 9 1 1 A 10 10 LYS CA C 10 59.720 58.739 0.981 1
1 125 . 9 1 1 A 10 10 LYS CB C 10 31.834 31.982 -0.148 1
1 128 . 9 1 1 A 10 10 LYS N N 10 120.915 120.887 0.028 1
1 129 . 9 1 1 A 11 11 GLN H H 11 8.566 7.611 0.955 1
1 130 . 9 1 1 A 11 11 GLN HA H 11 4.447 4.645 -0.198 1
1 137 . 9 1 1 A 11 11 GLN C C 11 175.378 174.609 0.769 1
1 138 . 9 1 1 A 11 11 GLN CA C 11 56.019 55.410 0.609 1
1 139 . 9 1 1 A 11 11 GLN CB C 11 29.175 31.121 -1.946 1
1 141 . 9 1 1 A 11 11 GLN N N 11 113.391 118.553 -5.162 1
1 143 . 9 1 1 A 12 12 ALA H H 12 7.186 8.418 -1.232 1
1 144 . 9 1 1 A 12 12 ALA HA H 12 4.506 4.164 0.342 1
1 148 . 9 1 1 A 12 12 ALA C C 12 174.369 175.745 -1.376 1
1 149 . 9 1 1 A 12 12 ALA CA C 12 52.485 54.260 -1.775 1
1 150 . 9 1 1 A 12 12 ALA CB C 12 21.424 18.276 3.148 1
1 151 . 9 1 1 A 12 12 ALA N N 12 120.106 128.743 -8.637 1
1 152 . 9 1 1 A 13 13 LYS H H 13 8.298 8.486 -0.188 1
1 153 . 9 1 1 A 13 13 LYS HA H 13 5.392 5.151 0.241 1
1 158 . 9 1 1 A 13 13 LYS C C 13 176.285 174.468 1.817 1
1 159 . 9 1 1 A 13 13 LYS CA C 13 55.138 54.790 0.348 1
1 160 . 9 1 1 A 13 13 LYS CB C 13 33.656 35.669 -2.013 1
1 164 . 9 1 1 A 13 13 LYS N N 13 120.804 122.162 -1.358 1
1 165 . 9 1 1 A 14 14 GLU H H 14 8.640 8.738 -0.098 1
1 166 . 9 1 1 A 14 14 GLU HA H 14 4.879 4.979 -0.100 1
1 171 . 9 1 1 A 14 14 GLU C C 14 174.032 174.667 -0.635 1
1 172 . 9 1 1 A 14 14 GLU CA C 14 54.909 54.659 0.250 1
1 173 . 9 1 1 A 14 14 GLU CB C 14 34.407 33.467 0.940 1
1 175 . 9 1 1 A 14 14 GLU N N 14 123.450 126.892 -3.442 1
1 176 . 9 1 1 A 15 15 GLU H H 15 8.642 8.700 -0.058 1
1 177 . 9 1 1 A 15 15 GLU HA H 15 5.631 5.403 0.228 1
1 182 . 9 1 1 A 15 15 GLU C C 15 175.503 174.776 0.727 1
1 183 . 9 1 1 A 15 15 GLU CA C 15 54.638 54.718 -0.080 1
1 184 . 9 1 1 A 15 15 GLU CB C 15 34.147 33.704 0.443 1
1 186 . 9 1 1 A 15 15 GLU N N 15 120.056 121.823 -1.767 1
1 187 . 9 1 1 A 16 16 ALA H H 16 9.166 9.020 0.146 1
1 188 . 9 1 1 A 16 16 ALA HA H 16 4.981 5.524 -0.543 1
1 192 . 9 1 1 A 16 16 ALA C C 16 175.027 176.214 -1.187 1
1 193 . 9 1 1 A 16 16 ALA CA C 16 51.324 50.049 1.275 1
1 194 . 9 1 1 A 16 16 ALA CB C 16 22.552 21.723 0.829 1
1 195 . 9 1 1 A 16 16 ALA N N 16 124.648 125.217 -0.569 1
1 196 . 9 1 1 A 17 17 ILE H H 17 8.645 9.008 -0.363 1
1 197 . 9 1 1 A 17 17 ILE HA H 17 5.672 5.809 -0.137 1
1 207 . 9 1 1 A 17 17 ILE C C 17 175.737 174.766 0.971 1
1 208 . 9 1 1 A 17 17 ILE CA C 17 59.733 58.843 0.890 1
1 209 . 9 1 1 A 17 17 ILE CB C 17 42.219 42.775 -0.556 1
1 213 . 9 1 1 A 17 17 ILE N N 17 116.684 117.445 -0.761 1
1 214 . 9 1 1 A 18 18 LYS H H 18 9.243 8.675 0.568 1
1 215 . 9 1 1 A 18 18 LYS HA H 18 4.548 4.728 -0.180 1
1 222 . 9 1 1 A 18 18 LYS C C 18 174.039 174.015 0.024 1
1 223 . 9 1 1 A 18 18 LYS CA C 18 54.956 55.839 -0.883 1
1 224 . 9 1 1 A 18 18 LYS CB C 18 37.101 36.521 0.580 1
1 228 . 9 1 1 A 18 18 LYS N N 18 123.578 122.073 1.505 1
1 229 . 9 1 1 A 19 19 GLU H H 19 8.812 8.716 0.096 1
1 230 . 9 1 1 A 19 19 GLU HA H 19 5.184 5.272 -0.088 1
1 233 . 9 1 1 A 19 19 GLU C C 19 175.912 175.649 0.263 1
1 234 . 9 1 1 A 19 19 GLU CA C 19 55.340 55.691 -0.351 1
1 235 . 9 1 1 A 19 19 GLU CB C 19 29.224 30.823 -1.599 1
1 237 . 9 1 1 A 19 19 GLU N N 19 129.720 123.869 5.851 1
1 238 . 9 1 1 A 20 20 ALA H H 20 9.425 8.523 0.902 1
1 239 . 9 1 1 A 20 20 ALA HA H 20 4.935 4.923 0.012 1
1 243 . 9 1 1 A 20 20 ALA C C 20 177.376 177.347 0.029 1
1 244 . 9 1 1 A 20 20 ALA CA C 20 51.128 50.792 0.336 1
1 245 . 9 1 1 A 20 20 ALA CB C 20 23.405 22.618 0.787 1
1 246 . 9 1 1 A 20 20 ALA N N 20 127.622 125.490 2.132 1
1 247 . 9 1 1 A 21 21 VAL H H 21 8.620 8.469 0.151 1
1 248 . 9 1 1 A 21 21 VAL HA H 21 4.262 3.745 0.517 1
1 253 . 9 1 1 A 21 21 VAL C C 21 175.539 175.907 -0.368 1
1 254 . 9 1 1 A 21 21 VAL CA C 21 63.598 65.841 -2.243 1
1 255 . 9 1 1 A 21 21 VAL CB C 21 31.839 31.447 0.392 1
1 257 . 9 1 1 A 21 21 VAL N N 21 115.529 121.199 -5.670 1
1 258 . 9 1 1 A 22 22 ASP H H 22 7.405 7.869 -0.464 1
1 259 . 9 1 1 A 22 22 ASP HA H 22 4.946 5.003 -0.057 1
1 262 . 9 1 1 A 22 22 ASP C C 22 174.734 175.442 -0.708 1
1 263 . 9 1 1 A 22 22 ASP CA C 22 52.601 52.107 0.494 1
1 264 . 9 1 1 A 22 22 ASP CB C 22 42.748 42.586 0.162 1
1 265 . 9 1 1 A 22 22 ASP N N 22 115.513 119.224 -3.711 1
1 266 . 9 1 1 A 23 23 ALA H H 23 8.614 8.156 0.458 1
1 267 . 9 1 1 A 23 23 ALA HA H 23 3.294 3.511 -0.217 1
1 271 . 9 1 1 A 23 23 ALA C C 23 179.849 178.762 1.087 1
1 272 . 9 1 1 A 23 23 ALA CA C 23 54.858 52.575 2.283 1
1 273 . 9 1 1 A 23 23 ALA CB C 23 17.424 19.551 -2.127 1
1 274 . 9 1 1 A 23 23 ALA N N 23 121.829 121.173 0.656 1
1 275 . 9 1 1 A 24 24 GLY H H 24 8.555 8.419 0.136 1
1 276 . 9 1 1 A 24 24 GLY HA2 H 24 3.851 3.708 0.143 1
1 277 . 9 1 1 A 24 24 GLY HA3 H 24 3.851 3.736 0.115 1
1 278 . 9 1 1 A 24 24 GLY C C 24 177.142 176.507 0.635 1
1 279 . 9 1 1 A 24 24 GLY CA C 24 46.839 47.023 -0.184 1
1 280 . 9 1 1 A 24 24 GLY N N 24 106.435 106.679 -0.244 1
1 281 . 9 1 1 A 25 25 THR H H 25 8.241 8.183 0.058 1
1 282 . 9 1 1 A 25 25 THR HA H 25 4.063 3.999 0.064 1
1 287 . 9 1 1 A 25 25 THR C C 25 177.054 176.102 0.952 1
1 288 . 9 1 1 A 25 25 THR CA C 25 66.635 65.210 1.425 1
1 289 . 9 1 1 A 25 25 THR CB C 25 68.068 68.721 -0.653 1
1 291 . 9 1 1 A 25 25 THR N N 25 119.981 117.071 2.910 1
1 292 . 9 1 1 A 26 26 ALA H H 26 7.100 7.851 -0.751 1
1 293 . 9 1 1 A 26 26 ALA HA H 26 3.364 3.698 -0.334 1
1 297 . 9 1 1 A 26 26 ALA C C 26 177.098 178.766 -1.668 1
1 298 . 9 1 1 A 26 26 ALA CA C 26 55.502 54.554 0.948 1
1 299 . 9 1 1 A 26 26 ALA CB C 26 17.127 17.418 -0.291 1
1 300 . 9 1 1 A 26 26 ALA N N 26 124.535 123.502 1.033 1
1 301 . 9 1 1 A 27 27 GLU H H 27 8.739 8.491 0.248 1
1 302 . 9 1 1 A 27 27 GLU HA H 27 2.941 3.796 -0.855 1
1 307 . 9 1 1 A 27 27 GLU C C 27 177.368 178.789 -1.421 1
1 308 . 9 1 1 A 27 27 GLU CA C 27 60.190 59.427 0.763 1
1 309 . 9 1 1 A 27 27 GLU CB C 27 29.225 28.979 0.246 1
1 311 . 9 1 1 A 27 27 GLU N N 27 118.116 118.408 -0.292 1
1 312 . 9 1 1 A 28 28 LYS H H 28 7.333 7.527 -0.194 1
1 313 . 9 1 1 A 28 28 LYS HA H 28 3.764 4.050 -0.286 1
1 320 . 9 1 1 A 28 28 LYS C C 28 178.993 178.490 0.503 1
1 321 . 9 1 1 A 28 28 LYS CA C 28 59.881 59.054 0.827 1
1 322 . 9 1 1 A 28 28 LYS CB C 28 32.382 31.975 0.407 1
1 324 . 9 1 1 A 28 28 LYS N N 28 116.088 118.359 -2.271 1
1 325 . 9 1 1 A 29 29 TYR H H 29 7.016 7.846 -0.830 1
1 326 . 9 1 1 A 29 29 TYR HA H 29 4.273 4.245 0.028 1
1 333 . 9 1 1 A 29 29 TYR C C 29 177.581 177.649 -0.068 1
1 334 . 9 1 1 A 29 29 TYR CA C 29 61.050 61.516 -0.466 1
1 335 . 9 1 1 A 29 29 TYR CB C 29 37.860 38.375 -0.515 1
1 340 . 9 1 1 A 29 29 TYR N N 29 119.155 121.297 -2.142 1
1 341 . 9 1 1 A 30 30 PHE H H 30 8.775 8.388 0.387 1
1 342 . 9 1 1 A 30 30 PHE HA H 30 4.619 4.154 0.465 1
1 349 . 9 1 1 A 30 30 PHE C C 30 178.612 178.018 0.594 1
1 350 . 9 1 1 A 30 30 PHE CA C 30 57.312 62.133 -4.821 1
1 351 . 9 1 1 A 30 30 PHE CB C 30 37.667 38.549 -0.882 1
1 356 . 9 1 1 A 30 30 PHE N N 30 118.969 118.744 0.225 1
1 357 . 9 1 1 A 31 31 LYS H H 31 8.977 8.826 0.151 1
1 358 . 9 1 1 A 31 31 LYS HA H 31 4.141 4.273 -0.132 1
1 363 . 9 1 1 A 31 31 LYS C C 31 178.781 179.413 -0.632 1
1 364 . 9 1 1 A 31 31 LYS CA C 31 59.878 59.344 0.534 1
1 365 . 9 1 1 A 31 31 LYS CB C 31 31.707 32.280 -0.573 1
1 367 . 9 1 1 A 31 31 LYS N N 31 121.474 120.342 1.132 1
1 368 . 9 1 1 A 32 32 LEU H H 32 7.215 8.226 -1.011 1
1 369 . 9 1 1 A 32 32 LEU HA H 32 4.179 4.016 0.163 1
1 376 . 9 1 1 A 32 32 LEU C C 32 180.639 179.342 1.297 1
1 377 . 9 1 1 A 32 32 LEU CA C 32 57.933 57.964 -0.031 1
1 378 . 9 1 1 A 32 32 LEU CB C 32 41.283 41.598 -0.315 1
1 381 . 9 1 1 A 32 32 LEU N N 32 118.836 119.105 -0.269 1
1 382 . 9 1 1 A 33 33 ILE H H 33 7.397 7.502 -0.105 1
1 383 . 9 1 1 A 33 33 ILE HA H 33 3.896 3.849 0.047 1
1 388 . 9 1 1 A 33 33 ILE C C 33 178.546 177.787 0.759 1
1 389 . 9 1 1 A 33 33 ILE CA C 33 63.892 63.536 0.356 1
1 390 . 9 1 1 A 33 33 ILE CB C 33 37.582 37.683 -0.101 1
1 393 . 9 1 1 A 33 33 ILE N N 33 118.838 119.536 -0.698 1
1 394 . 9 1 1 A 34 34 ALA H H 34 8.593 8.505 0.088 1
1 395 . 9 1 1 A 34 34 ALA HA H 34 3.984 3.981 0.003 1
1 399 . 9 1 1 A 34 34 ALA C C 34 179.571 179.723 -0.152 1
1 400 . 9 1 1 A 34 34 ALA CA C 34 55.141 55.630 -0.489 1
1 401 . 9 1 1 A 34 34 ALA CB C 34 18.671 18.650 0.021 1
1 402 . 9 1 1 A 34 34 ALA N N 34 121.471 123.986 -2.515 1
1 403 . 9 1 1 A 35 35 ASN H H 35 8.503 8.672 -0.169 1
1 404 . 9 1 1 A 35 35 ASN HA H 35 4.707 4.876 -0.169 1
1 409 . 9 1 1 A 35 35 ASN C C 35 177.434 177.546 -0.112 1
1 410 . 9 1 1 A 35 35 ASN CA C 35 55.732 56.051 -0.319 1
1 411 . 9 1 1 A 35 35 ASN CB C 35 38.224 38.793 -0.569 1
1 412 . 9 1 1 A 35 35 ASN N N 35 116.283 116.541 -0.258 1
1 414 . 9 1 1 A 36 36 ALA H H 36 7.610 7.356 0.254 1
1 415 . 9 1 1 A 36 36 ALA HA H 36 4.363 4.014 0.349 1
1 419 . 9 1 1 A 36 36 ALA C C 36 178.715 178.213 0.502 1
1 420 . 9 1 1 A 36 36 ALA CA C 36 54.004 54.305 -0.301 1
1 421 . 9 1 1 A 36 36 ALA CB C 36 19.224 18.230 0.994 1
1 422 . 9 1 1 A 36 36 ALA N N 36 120.620 121.174 -0.554 1
1 423 . 9 1 1 A 37 37 LYS H H 37 7.673 7.872 -0.199 1
1 424 . 9 1 1 A 37 37 LYS HA H 37 4.436 4.467 -0.031 1
1 431 . 9 1 1 A 37 37 LYS C C 37 175.876 175.734 0.142 1
1 432 . 9 1 1 A 37 37 LYS CA C 37 56.284 56.046 0.238 1
1 433 . 9 1 1 A 37 37 LYS CB C 37 34.026 34.335 -0.309 1
1 437 . 9 1 1 A 37 37 LYS N N 37 116.344 114.404 1.940 1
1 438 . 9 1 1 A 38 38 THR H H 38 8.122 7.693 0.429 1
1 439 . 9 1 1 A 38 38 THR HA H 38 4.409 4.715 -0.306 1
1 444 . 9 1 1 A 38 38 THR C C 38 172.766 173.245 -0.479 1
1 445 . 9 1 1 A 38 38 THR CA C 38 61.468 60.883 0.585 1
1 446 . 9 1 1 A 38 38 THR CB C 38 69.124 72.931 -3.807 1
1 448 . 9 1 1 A 38 38 THR N N 38 113.585 113.175 0.410 1
1 449 . 9 1 1 A 39 39 VAL H H 39 8.254 8.170 0.084 1
1 450 . 9 1 1 A 39 39 VAL HA H 39 4.399 4.462 -0.063 1
1 455 . 9 1 1 A 39 39 VAL C C 39 176.183 174.441 1.742 1
1 456 . 9 1 1 A 39 39 VAL CA C 39 62.431 61.148 1.283 1
1 457 . 9 1 1 A 39 39 VAL CB C 39 32.795 32.157 0.638 1
1 459 . 9 1 1 A 39 39 VAL N N 39 120.756 122.765 -2.009 1
1 460 . 9 1 1 A 40 40 GLU H H 40 8.732 7.669 1.063 1
1 461 . 9 1 1 A 40 40 GLU HA H 40 4.711 4.720 -0.009 1
1 464 . 9 1 1 A 40 40 GLU C C 40 175.571 175.215 0.356 1
1 465 . 9 1 1 A 40 40 GLU CA C 40 55.569 56.139 -0.570 1
1 466 . 9 1 1 A 40 40 GLU CB C 40 30.469 32.890 -2.421 1
1 468 . 9 1 1 A 40 40 GLU N N 40 124.791 121.846 2.945 1
1 469 . 9 1 1 A 41 41 GLY H H 41 8.145 8.506 -0.361 1
1 470 . 9 1 1 A 41 41 GLY HA2 H 41 4.236 4.093 0.143 1
1 471 . 9 1 1 A 41 41 GLY HA3 H 41 3.589 4.128 -0.539 1
1 472 . 9 1 1 A 41 41 GLY C C 41 172.517 172.788 -0.271 1
1 473 . 9 1 1 A 41 41 GLY CA C 41 45.203 45.712 -0.509 1
1 474 . 9 1 1 A 41 41 GLY N N 41 107.758 111.947 -4.189 1
1 475 . 9 1 1 A 42 42 VAL H H 42 8.490 9.145 -0.655 1
1 476 . 9 1 1 A 42 42 VAL HA H 42 4.525 5.023 -0.498 1
1 481 . 9 1 1 A 42 42 VAL C C 42 176.739 174.964 1.775 1
1 482 . 9 1 1 A 42 42 VAL CA C 42 62.354 60.676 1.678 1
1 483 . 9 1 1 A 42 42 VAL CB C 42 33.355 33.234 0.121 1
1 485 . 9 1 1 A 42 42 VAL N N 42 121.959 115.386 6.573 1
1 486 . 9 1 1 A 43 43 TRP H H 43 9.465 9.049 0.416 1
1 487 . 9 1 1 A 43 43 TRP HA H 43 5.375 5.203 0.172 1
1 495 . 9 1 1 A 43 43 TRP C C 43 177.127 176.567 0.560 1
1 496 . 9 1 1 A 43 43 TRP CA C 43 58.056 57.580 0.476 1
1 497 . 9 1 1 A 43 43 TRP CB C 43 29.740 30.746 -1.006 1
1 502 . 9 1 1 A 43 43 TRP N N 43 130.804 128.449 2.355 1
1 504 . 9 1 1 A 44 44 THR H H 44 9.380 8.679 0.701 1
1 505 . 9 1 1 A 44 44 THR HA H 44 4.908 5.377 -0.469 1
1 510 . 9 1 1 A 44 44 THR C C 44 172.803 172.872 -0.069 1
1 511 . 9 1 1 A 44 44 THR CA C 44 61.075 60.734 0.341 1
1 512 . 9 1 1 A 44 44 THR CB C 44 72.681 72.317 0.364 1
1 514 . 9 1 1 A 44 44 THR N N 44 115.117 113.856 1.261 1
1 515 . 9 1 1 A 45 45 TYR H H 45 8.773 8.983 -0.210 1
1 516 . 9 1 1 A 45 45 TYR HA H 45 5.143 5.683 -0.540 1
1 521 . 9 1 1 A 45 45 TYR C C 45 174.047 173.130 0.917 1
1 522 . 9 1 1 A 45 45 TYR CA C 45 57.154 57.064 0.090 1
1 523 . 9 1 1 A 45 45 TYR CB C 45 41.212 42.530 -1.318 1
1 526 . 9 1 1 A 45 45 TYR N N 45 121.946 122.948 -1.002 1
1 527 . 9 1 1 A 46 46 LYS H H 46 7.505 8.913 -1.408 1
1 528 . 9 1 1 A 46 46 LYS HA H 46 4.457 4.706 -0.249 1
1 533 . 9 1 1 A 46 46 LYS C C 46 175.444 173.884 1.560 1
1 534 . 9 1 1 A 46 46 LYS CA C 46 53.992 53.888 0.104 1
1 535 . 9 1 1 A 46 46 LYS CB C 46 33.875 35.568 -1.693 1
1 539 . 9 1 1 A 46 46 LYS N N 46 128.658 126.722 1.936 1
1 540 . 9 1 1 A 47 47 ASP H H 47 8.807 8.688 0.119 1
1 541 . 9 1 1 A 47 47 ASP HA H 47 4.135 4.720 -0.585 1
1 544 . 9 1 1 A 47 47 ASP C C 47 179.380 175.737 3.643 1
1 545 . 9 1 1 A 47 47 ASP CA C 47 57.464 53.053 4.411 1
1 546 . 9 1 1 A 47 47 ASP CB C 47 42.288 41.477 0.811 1
1 547 . 9 1 1 A 47 47 ASP N N 47 126.643 126.132 0.511 1
1 548 . 9 1 1 A 48 48 GLU H H 48 9.909 8.534 1.375 1
1 549 . 9 1 1 A 48 48 GLU HA H 48 4.172 4.396 -0.224 1
1 554 . 9 1 1 A 48 48 GLU C C 48 177.317 176.116 1.201 1
1 555 . 9 1 1 A 48 48 GLU CA C 48 59.979 56.939 3.040 1
1 556 . 9 1 1 A 48 48 GLU CB C 48 28.699 31.151 -2.452 1
1 558 . 9 1 1 A 48 48 GLU N N 48 118.400 122.168 -3.768 1
1 559 . 9 1 1 A 49 49 ILE H H 49 6.510 7.846 -1.336 1
1 560 . 9 1 1 A 49 49 ILE HA H 49 4.697 4.195 0.502 1
1 568 . 9 1 1 A 49 49 ILE C C 49 175.868 175.282 0.586 1
1 569 . 9 1 1 A 49 49 ILE CA C 49 60.318 60.925 -0.607 1
1 570 . 9 1 1 A 49 49 ILE CB C 49 38.324 37.801 0.523 1
1 574 . 9 1 1 A 49 49 ILE N N 49 105.782 117.924 -12.142 1
1 575 . 9 1 1 A 50 50 LYS H H 50 7.991 7.811 0.180 1
1 576 . 9 1 1 A 50 50 LYS HA H 50 4.336 4.079 0.257 1
1 581 . 9 1 1 A 50 50 LYS C C 50 174.829 174.991 -0.162 1
1 582 . 9 1 1 A 50 50 LYS CA C 50 55.959 56.696 -0.737 1
1 583 . 9 1 1 A 50 50 LYS CB C 50 29.232 30.863 -1.631 1
1 585 . 9 1 1 A 50 50 LYS N N 50 124.329 119.189 5.140 1
1 586 . 9 1 1 A 51 51 THR H H 51 7.174 7.248 -0.074 1
1 587 . 9 1 1 A 51 51 THR HA H 51 5.774 5.258 0.516 1
1 592 . 9 1 1 A 51 51 THR C C 51 173.893 172.723 1.170 1
1 593 . 9 1 1 A 51 51 THR CA C 51 62.217 61.096 1.121 1
1 594 . 9 1 1 A 51 51 THR CB C 51 73.248 71.877 1.371 1
1 596 . 9 1 1 A 51 51 THR N N 51 109.849 114.593 -4.744 1
1 597 . 9 1 1 A 52 52 PHE H H 52 10.338 9.424 0.914 1
1 598 . 9 1 1 A 52 52 PHE HA H 52 5.693 5.902 -0.209 1
1 605 . 9 1 1 A 52 52 PHE C C 52 174.361 174.846 -0.485 1
1 606 . 9 1 1 A 52 52 PHE CA C 52 57.260 56.157 1.103 1
1 607 . 9 1 1 A 52 52 PHE CB C 52 42.130 44.207 -2.077 1
1 612 . 9 1 1 A 52 52 PHE N N 52 130.662 124.234 6.428 1
1 613 . 9 1 1 A 53 53 THR H H 53 9.262 9.477 -0.215 1
1 614 . 9 1 1 A 53 53 THR HA H 53 5.288 4.817 0.471 1
1 619 . 9 1 1 A 53 53 THR C C 53 172.678 173.276 -0.598 1
1 620 . 9 1 1 A 53 53 THR CA C 53 61.511 61.182 0.329 1
1 621 . 9 1 1 A 53 53 THR CB C 53 70.861 72.300 -1.439 1
1 623 . 9 1 1 A 53 53 THR N N 53 118.205 114.317 3.888 1
1 624 . 9 1 1 A 54 54 VAL H H 54 8.628 8.628 0.000 1
1 625 . 9 1 1 A 54 54 VAL HA H 54 4.599 4.987 -0.388 1
1 633 . 9 1 1 A 54 54 VAL C C 54 174.090 174.277 -0.187 1
1 634 . 9 1 1 A 54 54 VAL CA C 54 59.646 60.135 -0.489 1
1 635 . 9 1 1 A 54 54 VAL CB C 54 32.737 33.629 -0.892 1
1 637 . 9 1 1 A 54 54 VAL N N 54 125.183 123.014 2.169 1
1 638 . 9 1 1 A 55 55 THR H H 55 8.434 8.613 -0.179 1
1 639 . 9 1 1 A 55 55 THR HA H 55 4.951 4.813 0.138 1
1 644 . 9 1 1 A 55 55 THR C C 55 173.695 172.950 0.745 1
1 645 . 9 1 1 A 55 55 THR CA C 55 61.219 61.404 -0.185 1
1 646 . 9 1 1 A 55 55 THR CB C 55 71.454 70.193 1.261 1
1 648 . 9 1 1 A 55 55 THR N N 55 122.255 124.125 -1.870 1
1 9 . 10 1 1 A 2 2 THR H H 2 8.931 7.547 1.384 1
1 10 . 10 1 1 A 2 2 THR HA H 2 4.504 5.025 -0.521 1
1 15 . 10 1 1 A 2 2 THR C C 2 172.828 172.775 0.053 1
1 16 . 10 1 1 A 2 2 THR CA C 2 63.506 61.227 2.279 1
1 17 . 10 1 1 A 2 2 THR CB C 2 68.833 70.533 -1.700 1
1 19 . 10 1 1 A 2 2 THR N N 2 124.414 111.558 12.856 1
1 20 . 10 1 1 A 3 3 TYR H H 3 9.041 9.254 -0.213 1
1 21 . 10 1 1 A 3 3 TYR HA H 3 5.453 5.879 -0.426 1
1 26 . 10 1 1 A 3 3 TYR C C 3 174.672 175.571 -0.899 1
1 27 . 10 1 1 A 3 3 TYR CA C 3 57.886 56.304 1.582 1
1 28 . 10 1 1 A 3 3 TYR CB C 3 42.295 42.928 -0.633 1
1 31 . 10 1 1 A 3 3 TYR N N 3 127.469 125.198 2.271 1
1 32 . 10 1 1 A 4 4 LYS H H 4 9.046 8.737 0.309 1
1 33 . 10 1 1 A 4 4 LYS HA H 4 5.547 5.845 -0.298 1
1 40 . 10 1 1 A 4 4 LYS C C 4 173.092 174.740 -1.648 1
1 41 . 10 1 1 A 4 4 LYS CA C 4 55.112 54.916 0.196 1
1 42 . 10 1 1 A 4 4 LYS CB C 4 35.889 36.601 -0.712 1
1 46 . 10 1 1 A 4 4 LYS N N 4 121.164 121.877 -0.713 1
1 47 . 10 1 1 A 5 5 LEU H H 5 9.017 9.593 -0.576 1
1 48 . 10 1 1 A 5 5 LEU HA H 5 5.095 5.413 -0.318 1
1 58 . 10 1 1 A 5 5 LEU C C 5 174.914 174.284 0.630 1
1 59 . 10 1 1 A 5 5 LEU CA C 5 52.648 53.233 -0.585 1
1 60 . 10 1 1 A 5 5 LEU CB C 5 43.729 45.185 -1.456 1
1 63 . 10 1 1 A 5 5 LEU N N 5 126.371 123.699 2.672 1
1 64 . 10 1 1 A 6 6 ILE H H 6 9.129 9.099 0.030 1
1 65 . 10 1 1 A 6 6 ILE HA H 6 4.502 4.613 -0.111 1
1 70 . 10 1 1 A 6 6 ILE C C 6 174.654 174.520 0.134 1
1 71 . 10 1 1 A 6 6 ILE CA C 6 60.366 60.515 -0.149 1
1 72 . 10 1 1 A 6 6 ILE CB C 6 38.760 38.844 -0.084 1
1 76 . 10 1 1 A 6 6 ILE N N 6 126.264 126.829 -0.565 1
1 77 . 10 1 1 A 7 7 LEU H H 7 8.956 9.286 -0.330 1
1 78 . 10 1 1 A 7 7 LEU HA H 7 4.570 4.848 -0.278 1
1 84 . 10 1 1 A 7 7 LEU C C 7 174.493 175.526 -1.033 1
1 85 . 10 1 1 A 7 7 LEU CA C 7 53.644 53.604 0.040 1
1 86 . 10 1 1 A 7 7 LEU CB C 7 41.339 43.437 -2.098 1
1 89 . 10 1 1 A 7 7 LEU N N 7 126.422 128.532 -2.110 1
1 90 . 10 1 1 A 8 8 ASN H H 8 9.065 8.917 0.148 1
1 91 . 10 1 1 A 8 8 ASN HA H 8 5.181 5.233 -0.052 1
1 96 . 10 1 1 A 8 8 ASN C C 8 174.434 174.214 0.220 1
1 97 . 10 1 1 A 8 8 ASN CA C 8 51.851 51.944 -0.093 1
1 98 . 10 1 1 A 8 8 ASN CB C 8 37.869 40.589 -2.720 1
1 99 . 10 1 1 A 8 8 ASN N N 8 125.633 124.021 1.612 1
1 101 . 10 1 1 A 9 9 LEU H H 9 7.720 8.560 -0.840 1
1 102 . 10 1 1 A 9 9 LEU HA H 9 4.754 5.223 -0.469 1
1 109 . 10 1 1 A 9 9 LEU C C 9 177.207 175.512 1.695 1
1 110 . 10 1 1 A 9 9 LEU CA C 9 53.431 52.623 0.808 1
1 111 . 10 1 1 A 9 9 LEU CB C 9 41.451 44.111 -2.660 1
1 114 . 10 1 1 A 9 9 LEU N N 9 121.516 123.017 -1.501 1
1 115 . 10 1 1 A 10 10 LYS H H 10 9.251 8.460 0.791 1
1 116 . 10 1 1 A 10 10 LYS HA H 10 4.034 4.342 -0.308 1
1 123 . 10 1 1 A 10 10 LYS C C 10 179.205 176.239 2.966 1
1 124 . 10 1 1 A 10 10 LYS CA C 10 59.720 55.512 4.208 1
1 125 . 10 1 1 A 10 10 LYS CB C 10 31.834 30.624 1.210 1
1 128 . 10 1 1 A 10 10 LYS N N 10 120.915 120.413 0.502 1
1 129 . 10 1 1 A 11 11 GLN H H 11 8.566 8.333 0.233 1
1 130 . 10 1 1 A 11 11 GLN HA H 11 4.447 4.511 -0.064 1
1 137 . 10 1 1 A 11 11 GLN C C 11 175.378 175.008 0.370 1
1 138 . 10 1 1 A 11 11 GLN CA C 11 56.019 57.050 -1.031 1
1 139 . 10 1 1 A 11 11 GLN CB C 11 29.175 31.624 -2.449 1
1 141 . 10 1 1 A 11 11 GLN N N 11 113.391 122.592 -9.201 1
1 143 . 10 1 1 A 12 12 ALA H H 12 7.186 7.594 -0.408 1
1 144 . 10 1 1 A 12 12 ALA HA H 12 4.506 4.539 -0.033 1
1 148 . 10 1 1 A 12 12 ALA C C 12 174.369 175.342 -0.973 1
1 149 . 10 1 1 A 12 12 ALA CA C 12 52.485 51.322 1.163 1
1 150 . 10 1 1 A 12 12 ALA CB C 12 21.424 21.691 -0.267 1
1 151 . 10 1 1 A 12 12 ALA N N 12 120.106 119.103 1.003 1
1 152 . 10 1 1 A 13 13 LYS H H 13 8.298 8.706 -0.408 1
1 153 . 10 1 1 A 13 13 LYS HA H 13 5.392 5.468 -0.076 1
1 158 . 10 1 1 A 13 13 LYS C C 13 176.285 174.196 2.089 1
1 159 . 10 1 1 A 13 13 LYS CA C 13 55.138 54.498 0.640 1
1 160 . 10 1 1 A 13 13 LYS CB C 13 33.656 36.274 -2.618 1
1 164 . 10 1 1 A 13 13 LYS N N 13 120.804 116.137 4.667 1
1 165 . 10 1 1 A 14 14 GLU H H 14 8.640 8.836 -0.196 1
1 166 . 10 1 1 A 14 14 GLU HA H 14 4.879 5.190 -0.311 1
1 171 . 10 1 1 A 14 14 GLU C C 14 174.032 174.840 -0.808 1
1 172 . 10 1 1 A 14 14 GLU CA C 14 54.909 54.580 0.329 1
1 173 . 10 1 1 A 14 14 GLU CB C 14 34.407 33.667 0.740 1
1 175 . 10 1 1 A 14 14 GLU N N 14 123.450 120.844 2.606 1
1 176 . 10 1 1 A 15 15 GLU H H 15 8.642 8.946 -0.304 1
1 177 . 10 1 1 A 15 15 GLU HA H 15 5.631 5.147 0.484 1
1 182 . 10 1 1 A 15 15 GLU C C 15 175.503 175.528 -0.025 1
1 183 . 10 1 1 A 15 15 GLU CA C 15 54.638 55.003 -0.365 1
1 184 . 10 1 1 A 15 15 GLU CB C 15 34.147 31.540 2.607 1
1 186 . 10 1 1 A 15 15 GLU N N 15 120.056 125.647 -5.591 1
1 187 . 10 1 1 A 16 16 ALA H H 16 9.166 9.527 -0.361 1
1 188 . 10 1 1 A 16 16 ALA HA H 16 4.981 5.665 -0.684 1
1 192 . 10 1 1 A 16 16 ALA C C 16 175.027 176.794 -1.767 1
1 193 . 10 1 1 A 16 16 ALA CA C 16 51.324 50.205 1.119 1
1 194 . 10 1 1 A 16 16 ALA CB C 16 22.552 21.881 0.671 1
1 195 . 10 1 1 A 16 16 ALA N N 16 124.648 127.077 -2.429 1
1 196 . 10 1 1 A 17 17 ILE H H 17 8.645 9.130 -0.485 1
1 197 . 10 1 1 A 17 17 ILE HA H 17 5.672 5.757 -0.085 1
1 207 . 10 1 1 A 17 17 ILE C C 17 175.737 174.610 1.127 1
1 208 . 10 1 1 A 17 17 ILE CA C 17 59.733 58.927 0.806 1
1 209 . 10 1 1 A 17 17 ILE CB C 17 42.219 42.530 -0.311 1
1 213 . 10 1 1 A 17 17 ILE N N 17 116.684 117.558 -0.874 1
1 214 . 10 1 1 A 18 18 LYS H H 18 9.243 8.618 0.625 1
1 215 . 10 1 1 A 18 18 LYS HA H 18 4.548 4.627 -0.079 1
1 222 . 10 1 1 A 18 18 LYS C C 18 174.039 173.750 0.289 1
1 223 . 10 1 1 A 18 18 LYS CA C 18 54.956 55.705 -0.749 1
1 224 . 10 1 1 A 18 18 LYS CB C 18 37.101 36.517 0.584 1
1 228 . 10 1 1 A 18 18 LYS N N 18 123.578 122.430 1.148 1
1 229 . 10 1 1 A 19 19 GLU H H 19 8.812 8.888 -0.076 1
1 230 . 10 1 1 A 19 19 GLU HA H 19 5.184 5.536 -0.352 1
1 233 . 10 1 1 A 19 19 GLU C C 19 175.912 175.572 0.340 1
1 234 . 10 1 1 A 19 19 GLU CA C 19 55.340 55.054 0.286 1
1 235 . 10 1 1 A 19 19 GLU CB C 19 29.224 32.175 -2.951 1
1 237 . 10 1 1 A 19 19 GLU N N 19 129.720 126.528 3.192 1
1 238 . 10 1 1 A 20 20 ALA H H 20 9.425 9.339 0.086 1
1 239 . 10 1 1 A 20 20 ALA HA H 20 4.935 5.066 -0.131 1
1 243 . 10 1 1 A 20 20 ALA C C 20 177.376 176.908 0.468 1
1 244 . 10 1 1 A 20 20 ALA CA C 20 51.128 50.751 0.377 1
1 245 . 10 1 1 A 20 20 ALA CB C 20 23.405 23.916 -0.511 1
1 246 . 10 1 1 A 20 20 ALA N N 20 127.622 128.766 -1.144 1
1 247 . 10 1 1 A 21 21 VAL H H 21 8.620 8.610 0.010 1
1 248 . 10 1 1 A 21 21 VAL HA H 21 4.262 4.352 -0.090 1
1 253 . 10 1 1 A 21 21 VAL C C 21 175.539 174.873 0.666 1
1 254 . 10 1 1 A 21 21 VAL CA C 21 63.598 61.287 2.311 1
1 255 . 10 1 1 A 21 21 VAL CB C 21 31.839 31.708 0.131 1
1 257 . 10 1 1 A 21 21 VAL N N 21 115.529 117.233 -1.704 1
1 258 . 10 1 1 A 22 22 ASP H H 22 7.405 7.757 -0.352 1
1 259 . 10 1 1 A 22 22 ASP HA H 22 4.946 4.954 -0.008 1
1 262 . 10 1 1 A 22 22 ASP C C 22 174.734 174.483 0.251 1
1 263 . 10 1 1 A 22 22 ASP CA C 22 52.601 52.964 -0.363 1
1 264 . 10 1 1 A 22 22 ASP CB C 22 42.748 44.052 -1.304 1
1 265 . 10 1 1 A 22 22 ASP N N 22 115.513 120.488 -4.975 1
1 266 . 10 1 1 A 23 23 ALA H H 23 8.614 8.301 0.313 1
1 267 . 10 1 1 A 23 23 ALA HA H 23 3.294 3.997 -0.703 1
1 271 . 10 1 1 A 23 23 ALA C C 23 179.849 178.863 0.986 1
1 272 . 10 1 1 A 23 23 ALA CA C 23 54.858 52.840 2.018 1
1 273 . 10 1 1 A 23 23 ALA CB C 23 17.424 20.753 -3.329 1
1 274 . 10 1 1 A 23 23 ALA N N 23 121.829 122.486 -0.657 1
1 275 . 10 1 1 A 24 24 GLY H H 24 8.555 8.462 0.093 1
1 276 . 10 1 1 A 24 24 GLY HA2 H 24 3.851 3.858 -0.007 1
1 277 . 10 1 1 A 24 24 GLY HA3 H 24 3.851 3.872 -0.021 1
1 278 . 10 1 1 A 24 24 GLY C C 24 177.142 176.484 0.658 1
1 279 . 10 1 1 A 24 24 GLY CA C 24 46.839 46.823 0.016 1
1 280 . 10 1 1 A 24 24 GLY N N 24 106.435 106.601 -0.166 1
1 281 . 10 1 1 A 25 25 THR H H 25 8.241 7.966 0.275 1
1 282 . 10 1 1 A 25 25 THR HA H 25 4.063 4.099 -0.036 1
1 287 . 10 1 1 A 25 25 THR C C 25 177.054 175.901 1.153 1
1 288 . 10 1 1 A 25 25 THR CA C 25 66.635 65.222 1.413 1
1 289 . 10 1 1 A 25 25 THR CB C 25 68.068 68.588 -0.520 1
1 291 . 10 1 1 A 25 25 THR N N 25 119.981 117.505 2.476 1
1 292 . 10 1 1 A 26 26 ALA H H 26 7.100 7.972 -0.872 1
1 293 . 10 1 1 A 26 26 ALA HA H 26 3.364 3.713 -0.349 1
1 297 . 10 1 1 A 26 26 ALA C C 26 177.098 179.221 -2.123 1
1 298 . 10 1 1 A 26 26 ALA CA C 26 55.502 54.841 0.661 1
1 299 . 10 1 1 A 26 26 ALA CB C 26 17.127 17.734 -0.607 1
1 300 . 10 1 1 A 26 26 ALA N N 26 124.535 123.799 0.736 1
1 301 . 10 1 1 A 27 27 GLU H H 27 8.739 8.660 0.079 1
1 302 . 10 1 1 A 27 27 GLU HA H 27 2.941 3.998 -1.057 1
1 307 . 10 1 1 A 27 27 GLU C C 27 177.368 178.631 -1.263 1
1 308 . 10 1 1 A 27 27 GLU CA C 27 60.190 59.604 0.586 1
1 309 . 10 1 1 A 27 27 GLU CB C 27 29.225 29.012 0.213 1
1 311 . 10 1 1 A 27 27 GLU N N 27 118.116 118.501 -0.385 1
1 312 . 10 1 1 A 28 28 LYS H H 28 7.333 7.560 -0.227 1
1 313 . 10 1 1 A 28 28 LYS HA H 28 3.764 4.063 -0.299 1
1 320 . 10 1 1 A 28 28 LYS C C 28 178.993 178.506 0.487 1
1 321 . 10 1 1 A 28 28 LYS CA C 28 59.881 58.894 0.987 1
1 322 . 10 1 1 A 28 28 LYS CB C 28 32.382 32.060 0.322 1
1 324 . 10 1 1 A 28 28 LYS N N 28 116.088 118.425 -2.337 1
1 325 . 10 1 1 A 29 29 TYR H H 29 7.016 7.781 -0.765 1
1 326 . 10 1 1 A 29 29 TYR HA H 29 4.273 4.202 0.071 1
1 333 . 10 1 1 A 29 29 TYR C C 29 177.581 177.541 0.040 1
1 334 . 10 1 1 A 29 29 TYR CA C 29 61.050 61.565 -0.515 1
1 335 . 10 1 1 A 29 29 TYR CB C 29 37.860 38.418 -0.558 1
1 340 . 10 1 1 A 29 29 TYR N N 29 119.155 121.399 -2.244 1
1 341 . 10 1 1 A 30 30 PHE H H 30 8.775 8.554 0.221 1
1 342 . 10 1 1 A 30 30 PHE HA H 30 4.619 4.149 0.470 1
1 349 . 10 1 1 A 30 30 PHE C C 30 178.612 177.909 0.703 1
1 350 . 10 1 1 A 30 30 PHE CA C 30 57.312 62.442 -5.130 1
1 351 . 10 1 1 A 30 30 PHE CB C 30 37.667 38.515 -0.848 1
1 356 . 10 1 1 A 30 30 PHE N N 30 118.969 118.726 0.243 1
1 357 . 10 1 1 A 31 31 LYS H H 31 8.977 9.109 -0.132 1
1 358 . 10 1 1 A 31 31 LYS HA H 31 4.141 4.347 -0.206 1
1 363 . 10 1 1 A 31 31 LYS C C 31 178.781 179.178 -0.397 1
1 364 . 10 1 1 A 31 31 LYS CA C 31 59.878 59.605 0.273 1
1 365 . 10 1 1 A 31 31 LYS CB C 31 31.707 32.367 -0.660 1
1 367 . 10 1 1 A 31 31 LYS N N 31 121.474 120.533 0.941 1
1 368 . 10 1 1 A 32 32 LEU H H 32 7.215 7.820 -0.605 1
1 369 . 10 1 1 A 32 32 LEU HA H 32 4.179 4.067 0.112 1
1 376 . 10 1 1 A 32 32 LEU C C 32 180.639 179.172 1.467 1
1 377 . 10 1 1 A 32 32 LEU CA C 32 57.933 57.789 0.144 1
1 378 . 10 1 1 A 32 32 LEU CB C 32 41.283 41.610 -0.327 1
1 381 . 10 1 1 A 32 32 LEU N N 32 118.836 119.006 -0.170 1
1 382 . 10 1 1 A 33 33 ILE H H 33 7.397 7.524 -0.127 1
1 383 . 10 1 1 A 33 33 ILE HA H 33 3.896 3.899 -0.003 1
1 388 . 10 1 1 A 33 33 ILE C C 33 178.546 177.911 0.635 1
1 389 . 10 1 1 A 33 33 ILE CA C 33 63.892 63.569 0.323 1
1 390 . 10 1 1 A 33 33 ILE CB C 33 37.582 37.850 -0.268 1
1 393 . 10 1 1 A 33 33 ILE N N 33 118.838 119.644 -0.806 1
1 394 . 10 1 1 A 34 34 ALA H H 34 8.593 8.579 0.014 1
1 395 . 10 1 1 A 34 34 ALA HA H 34 3.984 4.009 -0.025 1
1 399 . 10 1 1 A 34 34 ALA C C 34 179.571 179.359 0.212 1
1 400 . 10 1 1 A 34 34 ALA CA C 34 55.141 55.672 -0.531 1
1 401 . 10 1 1 A 34 34 ALA CB C 34 18.671 18.746 -0.075 1
1 402 . 10 1 1 A 34 34 ALA N N 34 121.471 124.202 -2.731 1
1 403 . 10 1 1 A 35 35 ASN H H 35 8.503 8.413 0.090 1
1 404 . 10 1 1 A 35 35 ASN HA H 35 4.707 4.776 -0.069 1
1 409 . 10 1 1 A 35 35 ASN C C 35 177.434 176.992 0.442 1
1 410 . 10 1 1 A 35 35 ASN CA C 35 55.732 56.188 -0.456 1
1 411 . 10 1 1 A 35 35 ASN CB C 35 38.224 39.457 -1.233 1
1 412 . 10 1 1 A 35 35 ASN N N 35 116.283 116.935 -0.652 1
1 414 . 10 1 1 A 36 36 ALA H H 36 7.610 7.488 0.122 1
1 415 . 10 1 1 A 36 36 ALA HA H 36 4.363 4.057 0.306 1
1 419 . 10 1 1 A 36 36 ALA C C 36 178.715 178.378 0.337 1
1 420 . 10 1 1 A 36 36 ALA CA C 36 54.004 54.322 -0.318 1
1 421 . 10 1 1 A 36 36 ALA CB C 36 19.224 18.226 0.998 1
1 422 . 10 1 1 A 36 36 ALA N N 36 120.620 121.554 -0.934 1
1 423 . 10 1 1 A 37 37 LYS H H 37 7.673 7.740 -0.067 1
1 424 . 10 1 1 A 37 37 LYS HA H 37 4.436 4.308 0.128 1
1 431 . 10 1 1 A 37 37 LYS C C 37 175.876 176.519 -0.643 1
1 432 . 10 1 1 A 37 37 LYS CA C 37 56.284 56.829 -0.545 1
1 433 . 10 1 1 A 37 37 LYS CB C 37 34.026 34.167 -0.141 1
1 437 . 10 1 1 A 37 37 LYS N N 37 116.344 114.959 1.385 1
1 438 . 10 1 1 A 38 38 THR H H 38 8.122 8.455 -0.333 1
1 439 . 10 1 1 A 38 38 THR HA H 38 4.409 5.003 -0.594 1
1 444 . 10 1 1 A 38 38 THR C C 38 172.766 173.469 -0.703 1
1 445 . 10 1 1 A 38 38 THR CA C 38 61.468 61.231 0.237 1
1 446 . 10 1 1 A 38 38 THR CB C 38 69.124 73.682 -4.558 1
1 448 . 10 1 1 A 38 38 THR N N 38 113.585 112.258 1.327 1
1 449 . 10 1 1 A 39 39 VAL H H 39 8.254 8.737 -0.483 1
1 450 . 10 1 1 A 39 39 VAL HA H 39 4.399 4.477 -0.078 1
1 455 . 10 1 1 A 39 39 VAL C C 39 176.183 174.583 1.600 1
1 456 . 10 1 1 A 39 39 VAL CA C 39 62.431 61.063 1.368 1
1 457 . 10 1 1 A 39 39 VAL CB C 39 32.795 32.932 -0.137 1
1 459 . 10 1 1 A 39 39 VAL N N 39 120.756 121.931 -1.175 1
1 460 . 10 1 1 A 40 40 GLU H H 40 8.732 7.668 1.064 1
1 461 . 10 1 1 A 40 40 GLU HA H 40 4.711 4.744 -0.033 1
1 464 . 10 1 1 A 40 40 GLU C C 40 175.571 175.205 0.366 1
1 465 . 10 1 1 A 40 40 GLU CA C 40 55.569 56.270 -0.701 1
1 466 . 10 1 1 A 40 40 GLU CB C 40 30.469 32.957 -2.488 1
1 468 . 10 1 1 A 40 40 GLU N N 40 124.791 123.458 1.333 1
1 469 . 10 1 1 A 41 41 GLY H H 41 8.145 8.506 -0.361 1
1 470 . 10 1 1 A 41 41 GLY HA2 H 41 4.236 4.121 0.115 1
1 471 . 10 1 1 A 41 41 GLY HA3 H 41 3.589 4.141 -0.552 1
1 472 . 10 1 1 A 41 41 GLY C C 41 172.517 171.661 0.856 1
1 473 . 10 1 1 A 41 41 GLY CA C 41 45.203 45.785 -0.582 1
1 474 . 10 1 1 A 41 41 GLY N N 41 107.758 111.706 -3.948 1
1 475 . 10 1 1 A 42 42 VAL H H 42 8.490 8.671 -0.181 1
1 476 . 10 1 1 A 42 42 VAL HA H 42 4.525 4.661 -0.136 1
1 481 . 10 1 1 A 42 42 VAL C C 42 176.739 175.655 1.084 1
1 482 . 10 1 1 A 42 42 VAL CA C 42 62.354 61.793 0.561 1
1 483 . 10 1 1 A 42 42 VAL CB C 42 33.355 32.441 0.914 1
1 485 . 10 1 1 A 42 42 VAL N N 42 121.959 120.036 1.923 1
1 486 . 10 1 1 A 43 43 TRP H H 43 9.465 9.037 0.428 1
1 487 . 10 1 1 A 43 43 TRP HA H 43 5.375 5.165 0.210 1
1 495 . 10 1 1 A 43 43 TRP C C 43 177.127 176.043 1.084 1
1 496 . 10 1 1 A 43 43 TRP CA C 43 58.056 57.147 0.909 1
1 497 . 10 1 1 A 43 43 TRP CB C 43 29.740 28.785 0.955 1
1 502 . 10 1 1 A 43 43 TRP N N 43 130.804 129.321 1.483 1
1 504 . 10 1 1 A 44 44 THR H H 44 9.380 9.521 -0.141 1
1 505 . 10 1 1 A 44 44 THR HA H 44 4.908 5.426 -0.518 1
1 510 . 10 1 1 A 44 44 THR C C 44 172.803 173.343 -0.540 1
1 511 . 10 1 1 A 44 44 THR CA C 44 61.075 59.565 1.510 1
1 512 . 10 1 1 A 44 44 THR CB C 44 72.681 72.008 0.673 1
1 514 . 10 1 1 A 44 44 THR N N 44 115.117 114.678 0.439 1
1 515 . 10 1 1 A 45 45 TYR H H 45 8.773 8.981 -0.208 1
1 516 . 10 1 1 A 45 45 TYR HA H 45 5.143 5.684 -0.541 1
1 521 . 10 1 1 A 45 45 TYR C C 45 174.047 173.229 0.818 1
1 522 . 10 1 1 A 45 45 TYR CA C 45 57.154 57.069 0.085 1
1 523 . 10 1 1 A 45 45 TYR CB C 45 41.212 42.596 -1.384 1
1 526 . 10 1 1 A 45 45 TYR N N 45 121.946 123.138 -1.192 1
1 527 . 10 1 1 A 46 46 LYS H H 46 7.505 8.678 -1.173 1
1 528 . 10 1 1 A 46 46 LYS HA H 46 4.457 4.810 -0.353 1
1 533 . 10 1 1 A 46 46 LYS C C 46 175.444 174.151 1.293 1
1 534 . 10 1 1 A 46 46 LYS CA C 46 53.992 53.616 0.376 1
1 535 . 10 1 1 A 46 46 LYS CB C 46 33.875 35.909 -2.034 1
1 539 . 10 1 1 A 46 46 LYS N N 46 128.658 127.060 1.598 1
1 540 . 10 1 1 A 47 47 ASP H H 47 8.807 8.360 0.447 1
1 541 . 10 1 1 A 47 47 ASP HA H 47 4.135 4.891 -0.756 1
1 544 . 10 1 1 A 47 47 ASP C C 47 179.380 175.928 3.452 1
1 545 . 10 1 1 A 47 47 ASP CA C 47 57.464 53.632 3.832 1
1 546 . 10 1 1 A 47 47 ASP CB C 47 42.288 41.296 0.992 1
1 547 . 10 1 1 A 47 47 ASP N N 47 126.643 126.207 0.436 1
1 548 . 10 1 1 A 48 48 GLU H H 48 9.909 8.597 1.312 1
1 549 . 10 1 1 A 48 48 GLU HA H 48 4.172 4.378 -0.206 1
1 554 . 10 1 1 A 48 48 GLU C C 48 177.317 176.111 1.206 1
1 555 . 10 1 1 A 48 48 GLU CA C 48 59.979 56.936 3.043 1
1 556 . 10 1 1 A 48 48 GLU CB C 48 28.699 31.138 -2.439 1
1 558 . 10 1 1 A 48 48 GLU N N 48 118.400 122.161 -3.761 1
1 559 . 10 1 1 A 49 49 ILE H H 49 6.510 7.817 -1.307 1
1 560 . 10 1 1 A 49 49 ILE HA H 49 4.697 4.213 0.484 1
1 568 . 10 1 1 A 49 49 ILE C C 49 175.868 175.411 0.457 1
1 569 . 10 1 1 A 49 49 ILE CA C 49 60.318 60.544 -0.226 1
1 570 . 10 1 1 A 49 49 ILE CB C 49 38.324 37.732 0.592 1
1 574 . 10 1 1 A 49 49 ILE N N 49 105.782 117.566 -11.784 1
1 575 . 10 1 1 A 50 50 LYS H H 50 7.991 7.778 0.213 1
1 576 . 10 1 1 A 50 50 LYS HA H 50 4.336 4.166 0.170 1
1 581 . 10 1 1 A 50 50 LYS C C 50 174.829 174.777 0.052 1
1 582 . 10 1 1 A 50 50 LYS CA C 50 55.959 56.676 -0.717 1
1 583 . 10 1 1 A 50 50 LYS CB C 50 29.232 31.078 -1.846 1
1 585 . 10 1 1 A 50 50 LYS N N 50 124.329 119.344 4.985 1
1 586 . 10 1 1 A 51 51 THR H H 51 7.174 6.964 0.210 1
1 587 . 10 1 1 A 51 51 THR HA H 51 5.774 5.058 0.716 1
1 592 . 10 1 1 A 51 51 THR C C 51 173.893 171.851 2.042 1
1 593 . 10 1 1 A 51 51 THR CA C 51 62.217 59.703 2.514 1
1 594 . 10 1 1 A 51 51 THR CB C 51 73.248 71.406 1.842 1
1 596 . 10 1 1 A 51 51 THR N N 51 109.849 114.738 -4.889 1
1 597 . 10 1 1 A 52 52 PHE H H 52 10.338 9.128 1.210 1
1 598 . 10 1 1 A 52 52 PHE HA H 52 5.693 5.758 -0.065 1
1 605 . 10 1 1 A 52 52 PHE C C 52 174.361 174.687 -0.326 1
1 606 . 10 1 1 A 52 52 PHE CA C 52 57.260 55.979 1.281 1
1 607 . 10 1 1 A 52 52 PHE CB C 52 42.130 43.941 -1.811 1
1 612 . 10 1 1 A 52 52 PHE N N 52 130.662 125.052 5.610 1
1 613 . 10 1 1 A 53 53 THR H H 53 9.262 9.495 -0.233 1
1 614 . 10 1 1 A 53 53 THR HA H 53 5.288 4.869 0.419 1
1 619 . 10 1 1 A 53 53 THR C C 53 172.678 172.903 -0.225 1
1 620 . 10 1 1 A 53 53 THR CA C 53 61.511 61.166 0.345 1
1 621 . 10 1 1 A 53 53 THR CB C 53 70.861 72.330 -1.469 1
1 623 . 10 1 1 A 53 53 THR N N 53 118.205 113.932 4.273 1
1 624 . 10 1 1 A 54 54 VAL H H 54 8.628 8.889 -0.261 1
1 625 . 10 1 1 A 54 54 VAL HA H 54 4.599 4.985 -0.386 1
1 633 . 10 1 1 A 54 54 VAL C C 54 174.090 174.214 -0.124 1
1 634 . 10 1 1 A 54 54 VAL CA C 54 59.646 60.037 -0.391 1
1 635 . 10 1 1 A 54 54 VAL CB C 54 32.737 33.591 -0.854 1
1 637 . 10 1 1 A 54 54 VAL N N 54 125.183 123.209 1.974 1
1 638 . 10 1 1 A 55 55 THR H H 55 8.434 8.695 -0.261 1
1 639 . 10 1 1 A 55 55 THR HA H 55 4.951 4.840 0.111 1
1 644 . 10 1 1 A 55 55 THR C C 55 173.695 174.270 -0.575 1
1 645 . 10 1 1 A 55 55 THR CA C 55 61.219 61.870 -0.651 1
1 646 . 10 1 1 A 55 55 THR CB C 55 71.454 69.540 1.914 1
1 648 . 10 1 1 A 55 55 THR N N 55 122.255 124.412 -2.157 1
1 9 . 11 1 1 A 2 2 THR H H 2 8.931 8.647 0.284 1
1 10 . 11 1 1 A 2 2 THR HA H 2 4.504 5.069 -0.565 1
1 15 . 11 1 1 A 2 2 THR C C 2 172.828 173.699 -0.871 1
1 16 . 11 1 1 A 2 2 THR CA C 2 63.506 60.859 2.647 1
1 17 . 11 1 1 A 2 2 THR CB C 2 68.833 69.995 -1.162 1
1 19 . 11 1 1 A 2 2 THR N N 2 124.414 119.380 5.034 1
1 20 . 11 1 1 A 3 3 TYR H H 3 9.041 8.958 0.083 1
1 21 . 11 1 1 A 3 3 TYR HA H 3 5.453 5.629 -0.176 1
1 26 . 11 1 1 A 3 3 TYR C C 3 174.672 175.572 -0.900 1
1 27 . 11 1 1 A 3 3 TYR CA C 3 57.886 57.280 0.606 1
1 28 . 11 1 1 A 3 3 TYR CB C 3 42.295 41.508 0.787 1
1 31 . 11 1 1 A 3 3 TYR N N 3 127.469 125.072 2.397 1
1 32 . 11 1 1 A 4 4 LYS H H 4 9.046 8.630 0.416 1
1 33 . 11 1 1 A 4 4 LYS HA H 4 5.547 5.567 -0.020 1
1 40 . 11 1 1 A 4 4 LYS C C 4 173.092 174.822 -1.730 1
1 41 . 11 1 1 A 4 4 LYS CA C 4 55.112 55.128 -0.016 1
1 42 . 11 1 1 A 4 4 LYS CB C 4 35.889 36.780 -0.891 1
1 46 . 11 1 1 A 4 4 LYS N N 4 121.164 121.252 -0.088 1
1 47 . 11 1 1 A 5 5 LEU H H 5 9.017 9.509 -0.492 1
1 48 . 11 1 1 A 5 5 LEU HA H 5 5.095 5.358 -0.263 1
1 58 . 11 1 1 A 5 5 LEU C C 5 174.914 174.307 0.607 1
1 59 . 11 1 1 A 5 5 LEU CA C 5 52.648 53.640 -0.992 1
1 60 . 11 1 1 A 5 5 LEU CB C 5 43.729 44.740 -1.011 1
1 63 . 11 1 1 A 5 5 LEU N N 5 126.371 124.113 2.258 1
1 64 . 11 1 1 A 6 6 ILE H H 6 9.129 9.444 -0.315 1
1 65 . 11 1 1 A 6 6 ILE HA H 6 4.502 4.557 -0.055 1
1 70 . 11 1 1 A 6 6 ILE C C 6 174.654 174.845 -0.191 1
1 71 . 11 1 1 A 6 6 ILE CA C 6 60.366 60.161 0.205 1
1 72 . 11 1 1 A 6 6 ILE CB C 6 38.760 37.848 0.912 1
1 76 . 11 1 1 A 6 6 ILE N N 6 126.264 128.126 -1.862 1
1 77 . 11 1 1 A 7 7 LEU H H 7 8.956 9.075 -0.119 1
1 78 . 11 1 1 A 7 7 LEU HA H 7 4.570 4.779 -0.209 1
1 84 . 11 1 1 A 7 7 LEU C C 7 174.493 175.311 -0.818 1
1 85 . 11 1 1 A 7 7 LEU CA C 7 53.644 53.934 -0.290 1
1 86 . 11 1 1 A 7 7 LEU CB C 7 41.339 42.856 -1.517 1
1 89 . 11 1 1 A 7 7 LEU N N 7 126.422 128.859 -2.437 1
1 90 . 11 1 1 A 8 8 ASN H H 8 9.065 8.805 0.260 1
1 91 . 11 1 1 A 8 8 ASN HA H 8 5.181 5.288 -0.107 1
1 96 . 11 1 1 A 8 8 ASN C C 8 174.434 173.990 0.444 1
1 97 . 11 1 1 A 8 8 ASN CA C 8 51.851 52.028 -0.177 1
1 98 . 11 1 1 A 8 8 ASN CB C 8 37.869 40.593 -2.724 1
1 99 . 11 1 1 A 8 8 ASN N N 8 125.633 124.195 1.438 1
1 101 . 11 1 1 A 9 9 LEU H H 9 7.720 8.670 -0.950 1
1 102 . 11 1 1 A 9 9 LEU HA H 9 4.754 4.866 -0.112 1
1 109 . 11 1 1 A 9 9 LEU C C 9 177.207 177.145 0.062 1
1 110 . 11 1 1 A 9 9 LEU CA C 9 53.431 52.393 1.038 1
1 111 . 11 1 1 A 9 9 LEU CB C 9 41.451 44.845 -3.394 1
1 114 . 11 1 1 A 9 9 LEU N N 9 121.516 123.467 -1.951 1
1 115 . 11 1 1 A 10 10 LYS H H 10 9.251 8.800 0.451 1
1 116 . 11 1 1 A 10 10 LYS HA H 10 4.034 4.254 -0.220 1
1 123 . 11 1 1 A 10 10 LYS C C 10 179.205 176.232 2.973 1
1 124 . 11 1 1 A 10 10 LYS CA C 10 59.720 57.553 2.167 1
1 125 . 11 1 1 A 10 10 LYS CB C 10 31.834 31.675 0.159 1
1 128 . 11 1 1 A 10 10 LYS N N 10 120.915 116.981 3.934 1
1 129 . 11 1 1 A 11 11 GLN H H 11 8.566 7.668 0.898 1
1 130 . 11 1 1 A 11 11 GLN HA H 11 4.447 4.644 -0.197 1
1 137 . 11 1 1 A 11 11 GLN C C 11 175.378 175.213 0.165 1
1 138 . 11 1 1 A 11 11 GLN CA C 11 56.019 54.591 1.428 1
1 139 . 11 1 1 A 11 11 GLN CB C 11 29.175 29.771 -0.596 1
1 141 . 11 1 1 A 11 11 GLN N N 11 113.391 119.242 -5.851 1
1 143 . 11 1 1 A 12 12 ALA H H 12 7.186 8.292 -1.106 1
1 144 . 11 1 1 A 12 12 ALA HA H 12 4.506 4.152 0.354 1
1 148 . 11 1 1 A 12 12 ALA C C 12 174.369 176.031 -1.662 1
1 149 . 11 1 1 A 12 12 ALA CA C 12 52.485 53.997 -1.512 1
1 150 . 11 1 1 A 12 12 ALA CB C 12 21.424 18.270 3.154 1
1 151 . 11 1 1 A 12 12 ALA N N 12 120.106 123.662 -3.556 1
1 152 . 11 1 1 A 13 13 LYS H H 13 8.298 8.730 -0.432 1
1 153 . 11 1 1 A 13 13 LYS HA H 13 5.392 5.017 0.375 1
1 158 . 11 1 1 A 13 13 LYS C C 13 176.285 175.330 0.955 1
1 159 . 11 1 1 A 13 13 LYS CA C 13 55.138 55.342 -0.204 1
1 160 . 11 1 1 A 13 13 LYS CB C 13 33.656 34.134 -0.478 1
1 164 . 11 1 1 A 13 13 LYS N N 13 120.804 123.428 -2.624 1
1 165 . 11 1 1 A 14 14 GLU H H 14 8.640 8.378 0.262 1
1 166 . 11 1 1 A 14 14 GLU HA H 14 4.879 4.974 -0.095 1
1 171 . 11 1 1 A 14 14 GLU C C 14 174.032 174.417 -0.385 1
1 172 . 11 1 1 A 14 14 GLU CA C 14 54.909 54.771 0.138 1
1 173 . 11 1 1 A 14 14 GLU CB C 14 34.407 33.339 1.068 1
1 175 . 11 1 1 A 14 14 GLU N N 14 123.450 123.378 0.072 1
1 176 . 11 1 1 A 15 15 GLU H H 15 8.642 8.838 -0.196 1
1 177 . 11 1 1 A 15 15 GLU HA H 15 5.631 4.959 0.672 1
1 182 . 11 1 1 A 15 15 GLU C C 15 175.503 175.290 0.213 1
1 183 . 11 1 1 A 15 15 GLU CA C 15 54.638 54.856 -0.218 1
1 184 . 11 1 1 A 15 15 GLU CB C 15 34.147 32.255 1.892 1
1 186 . 11 1 1 A 15 15 GLU N N 15 120.056 123.761 -3.705 1
1 187 . 11 1 1 A 16 16 ALA H H 16 9.166 9.246 -0.080 1
1 188 . 11 1 1 A 16 16 ALA HA H 16 4.981 5.533 -0.552 1
1 192 . 11 1 1 A 16 16 ALA C C 16 175.027 176.575 -1.548 1
1 193 . 11 1 1 A 16 16 ALA CA C 16 51.324 50.025 1.299 1
1 194 . 11 1 1 A 16 16 ALA CB C 16 22.552 21.716 0.836 1
1 195 . 11 1 1 A 16 16 ALA N N 16 124.648 126.882 -2.234 1
1 196 . 11 1 1 A 17 17 ILE H H 17 8.645 9.035 -0.390 1
1 197 . 11 1 1 A 17 17 ILE HA H 17 5.672 5.425 0.247 1
1 207 . 11 1 1 A 17 17 ILE C C 17 175.737 174.647 1.090 1
1 208 . 11 1 1 A 17 17 ILE CA C 17 59.733 58.786 0.947 1
1 209 . 11 1 1 A 17 17 ILE CB C 17 42.219 42.645 -0.426 1
1 213 . 11 1 1 A 17 17 ILE N N 17 116.684 117.404 -0.720 1
1 214 . 11 1 1 A 18 18 LYS H H 18 9.243 8.564 0.679 1
1 215 . 11 1 1 A 18 18 LYS HA H 18 4.548 4.683 -0.135 1
1 222 . 11 1 1 A 18 18 LYS C C 18 174.039 174.222 -0.183 1
1 223 . 11 1 1 A 18 18 LYS CA C 18 54.956 55.789 -0.833 1
1 224 . 11 1 1 A 18 18 LYS CB C 18 37.101 36.413 0.688 1
1 228 . 11 1 1 A 18 18 LYS N N 18 123.578 122.217 1.361 1
1 229 . 11 1 1 A 19 19 GLU H H 19 8.812 8.595 0.217 1
1 230 . 11 1 1 A 19 19 GLU HA H 19 5.184 5.025 0.159 1
1 233 . 11 1 1 A 19 19 GLU C C 19 175.912 175.829 0.083 1
1 234 . 11 1 1 A 19 19 GLU CA C 19 55.340 55.392 -0.052 1
1 235 . 11 1 1 A 19 19 GLU CB C 19 29.224 31.037 -1.813 1
1 237 . 11 1 1 A 19 19 GLU N N 19 129.720 125.421 4.299 1
1 238 . 11 1 1 A 20 20 ALA H H 20 9.425 8.383 1.042 1
1 239 . 11 1 1 A 20 20 ALA HA H 20 4.935 4.937 -0.002 1
1 243 . 11 1 1 A 20 20 ALA C C 20 177.376 177.975 -0.599 1
1 244 . 11 1 1 A 20 20 ALA CA C 20 51.128 50.855 0.273 1
1 245 . 11 1 1 A 20 20 ALA CB C 20 23.405 22.583 0.822 1
1 246 . 11 1 1 A 20 20 ALA N N 20 127.622 126.847 0.775 1
1 247 . 11 1 1 A 21 21 VAL H H 21 8.620 8.601 0.019 1
1 248 . 11 1 1 A 21 21 VAL HA H 21 4.262 3.853 0.409 1
1 253 . 11 1 1 A 21 21 VAL C C 21 175.539 175.905 -0.366 1
1 254 . 11 1 1 A 21 21 VAL CA C 21 63.598 65.063 -1.465 1
1 255 . 11 1 1 A 21 21 VAL CB C 21 31.839 31.795 0.044 1
1 257 . 11 1 1 A 21 21 VAL N N 21 115.529 119.537 -4.008 1
1 258 . 11 1 1 A 22 22 ASP H H 22 7.405 7.968 -0.563 1
1 259 . 11 1 1 A 22 22 ASP HA H 22 4.946 5.056 -0.110 1
1 262 . 11 1 1 A 22 22 ASP C C 22 174.734 176.115 -1.381 1
1 263 . 11 1 1 A 22 22 ASP CA C 22 52.601 51.783 0.818 1
1 264 . 11 1 1 A 22 22 ASP CB C 22 42.748 42.459 0.289 1
1 265 . 11 1 1 A 22 22 ASP N N 22 115.513 119.710 -4.197 1
1 266 . 11 1 1 A 23 23 ALA H H 23 8.614 8.471 0.143 1
1 267 . 11 1 1 A 23 23 ALA HA H 23 3.294 3.311 -0.017 1
1 271 . 11 1 1 A 23 23 ALA C C 23 179.849 179.266 0.583 1
1 272 . 11 1 1 A 23 23 ALA CA C 23 54.858 53.504 1.354 1
1 273 . 11 1 1 A 23 23 ALA CB C 23 17.424 19.073 -1.649 1
1 274 . 11 1 1 A 23 23 ALA N N 23 121.829 120.765 1.064 1
1 275 . 11 1 1 A 24 24 GLY H H 24 8.555 8.005 0.550 1
1 276 . 11 1 1 A 24 24 GLY HA2 H 24 3.851 3.831 0.020 1
1 277 . 11 1 1 A 24 24 GLY HA3 H 24 3.851 3.856 -0.005 1
1 278 . 11 1 1 A 24 24 GLY C C 24 177.142 176.129 1.013 1
1 279 . 11 1 1 A 24 24 GLY CA C 24 46.839 46.818 0.021 1
1 280 . 11 1 1 A 24 24 GLY N N 24 106.435 106.383 0.052 1
1 281 . 11 1 1 A 25 25 THR H H 25 8.241 7.765 0.476 1
1 282 . 11 1 1 A 25 25 THR HA H 25 4.063 3.978 0.085 1
1 287 . 11 1 1 A 25 25 THR C C 25 177.054 176.534 0.520 1
1 288 . 11 1 1 A 25 25 THR CA C 25 66.635 65.309 1.326 1
1 289 . 11 1 1 A 25 25 THR CB C 25 68.068 68.512 -0.444 1
1 291 . 11 1 1 A 25 25 THR N N 25 119.981 117.888 2.093 1
1 292 . 11 1 1 A 26 26 ALA H H 26 7.100 7.856 -0.756 1
1 293 . 11 1 1 A 26 26 ALA HA H 26 3.364 3.567 -0.203 1
1 297 . 11 1 1 A 26 26 ALA C C 26 177.098 179.033 -1.935 1
1 298 . 11 1 1 A 26 26 ALA CA C 26 55.502 54.542 0.960 1
1 299 . 11 1 1 A 26 26 ALA CB C 26 17.127 17.644 -0.517 1
1 300 . 11 1 1 A 26 26 ALA N N 26 124.535 123.589 0.946 1
1 301 . 11 1 1 A 27 27 GLU H H 27 8.739 8.334 0.405 1
1 302 . 11 1 1 A 27 27 GLU HA H 27 2.941 3.848 -0.907 1
1 307 . 11 1 1 A 27 27 GLU C C 27 177.368 178.501 -1.133 1
1 308 . 11 1 1 A 27 27 GLU CA C 27 60.190 59.457 0.733 1
1 309 . 11 1 1 A 27 27 GLU CB C 27 29.225 29.070 0.155 1
1 311 . 11 1 1 A 27 27 GLU N N 27 118.116 118.447 -0.331 1
1 312 . 11 1 1 A 28 28 LYS H H 28 7.333 7.515 -0.182 1
1 313 . 11 1 1 A 28 28 LYS HA H 28 3.764 4.051 -0.287 1
1 320 . 11 1 1 A 28 28 LYS C C 28 178.993 178.419 0.574 1
1 321 . 11 1 1 A 28 28 LYS CA C 28 59.881 58.894 0.987 1
1 322 . 11 1 1 A 28 28 LYS CB C 28 32.382 32.039 0.343 1
1 324 . 11 1 1 A 28 28 LYS N N 28 116.088 118.248 -2.160 1
1 325 . 11 1 1 A 29 29 TYR H H 29 7.016 7.834 -0.818 1
1 326 . 11 1 1 A 29 29 TYR HA H 29 4.273 4.254 0.019 1
1 333 . 11 1 1 A 29 29 TYR C C 29 177.581 177.609 -0.028 1
1 334 . 11 1 1 A 29 29 TYR CA C 29 61.050 61.392 -0.342 1
1 335 . 11 1 1 A 29 29 TYR CB C 29 37.860 38.312 -0.452 1
1 340 . 11 1 1 A 29 29 TYR N N 29 119.155 121.443 -2.288 1
1 341 . 11 1 1 A 30 30 PHE H H 30 8.775 8.785 -0.010 1
1 342 . 11 1 1 A 30 30 PHE HA H 30 4.619 4.094 0.525 1
1 349 . 11 1 1 A 30 30 PHE C C 30 178.612 177.819 0.793 1
1 350 . 11 1 1 A 30 30 PHE CA C 30 57.312 62.417 -5.105 1
1 351 . 11 1 1 A 30 30 PHE CB C 30 37.667 38.521 -0.854 1
1 356 . 11 1 1 A 30 30 PHE N N 30 118.969 119.085 -0.116 1
1 357 . 11 1 1 A 31 31 LYS H H 31 8.977 8.888 0.089 1
1 358 . 11 1 1 A 31 31 LYS HA H 31 4.141 4.323 -0.182 1
1 363 . 11 1 1 A 31 31 LYS C C 31 178.781 179.056 -0.275 1
1 364 . 11 1 1 A 31 31 LYS CA C 31 59.878 59.468 0.410 1
1 365 . 11 1 1 A 31 31 LYS CB C 31 31.707 32.195 -0.488 1
1 367 . 11 1 1 A 31 31 LYS N N 31 121.474 120.753 0.721 1
1 368 . 11 1 1 A 32 32 LEU H H 32 7.215 7.661 -0.446 1
1 369 . 11 1 1 A 32 32 LEU HA H 32 4.179 4.081 0.098 1
1 376 . 11 1 1 A 32 32 LEU C C 32 180.639 179.428 1.211 1
1 377 . 11 1 1 A 32 32 LEU CA C 32 57.933 57.489 0.444 1
1 378 . 11 1 1 A 32 32 LEU CB C 32 41.283 41.281 0.002 1
1 381 . 11 1 1 A 32 32 LEU N N 32 118.836 119.513 -0.677 1
1 382 . 11 1 1 A 33 33 ILE H H 33 7.397 7.592 -0.195 1
1 383 . 11 1 1 A 33 33 ILE HA H 33 3.896 3.800 0.096 1
1 388 . 11 1 1 A 33 33 ILE C C 33 178.546 177.656 0.890 1
1 389 . 11 1 1 A 33 33 ILE CA C 33 63.892 63.740 0.152 1
1 390 . 11 1 1 A 33 33 ILE CB C 33 37.582 37.817 -0.235 1
1 393 . 11 1 1 A 33 33 ILE N N 33 118.838 119.700 -0.862 1
1 394 . 11 1 1 A 34 34 ALA H H 34 8.593 8.470 0.123 1
1 395 . 11 1 1 A 34 34 ALA HA H 34 3.984 4.048 -0.064 1
1 399 . 11 1 1 A 34 34 ALA C C 34 179.571 180.400 -0.829 1
1 400 . 11 1 1 A 34 34 ALA CA C 34 55.141 55.804 -0.663 1
1 401 . 11 1 1 A 34 34 ALA CB C 34 18.671 18.460 0.211 1
1 402 . 11 1 1 A 34 34 ALA N N 34 121.471 123.866 -2.395 1
1 403 . 11 1 1 A 35 35 ASN H H 35 8.503 8.283 0.220 1
1 404 . 11 1 1 A 35 35 ASN HA H 35 4.707 4.553 0.154 1
1 409 . 11 1 1 A 35 35 ASN C C 35 177.434 176.893 0.541 1
1 410 . 11 1 1 A 35 35 ASN CA C 35 55.732 56.124 -0.392 1
1 411 . 11 1 1 A 35 35 ASN CB C 35 38.224 38.838 -0.614 1
1 412 . 11 1 1 A 35 35 ASN N N 35 116.283 117.366 -1.083 1
1 414 . 11 1 1 A 36 36 ALA H H 36 7.610 7.510 0.100 1
1 415 . 11 1 1 A 36 36 ALA HA H 36 4.363 4.254 0.109 1
1 419 . 11 1 1 A 36 36 ALA C C 36 178.715 177.545 1.170 1
1 420 . 11 1 1 A 36 36 ALA CA C 36 54.004 52.194 1.810 1
1 421 . 11 1 1 A 36 36 ALA CB C 36 19.224 18.816 0.408 1
1 422 . 11 1 1 A 36 36 ALA N N 36 120.620 120.949 -0.329 1
1 423 . 11 1 1 A 37 37 LYS H H 37 7.673 7.985 -0.312 1
1 424 . 11 1 1 A 37 37 LYS HA H 37 4.436 4.381 0.055 1
1 431 . 11 1 1 A 37 37 LYS C C 37 175.876 177.520 -1.644 1
1 432 . 11 1 1 A 37 37 LYS CA C 37 56.284 56.952 -0.668 1
1 433 . 11 1 1 A 37 37 LYS CB C 37 34.026 34.357 -0.331 1
1 437 . 11 1 1 A 37 37 LYS N N 37 116.344 116.884 -0.540 1
1 438 . 11 1 1 A 38 38 THR H H 38 8.122 7.783 0.339 1
1 439 . 11 1 1 A 38 38 THR HA H 38 4.409 4.382 0.027 1
1 444 . 11 1 1 A 38 38 THR C C 38 172.766 174.671 -1.905 1
1 445 . 11 1 1 A 38 38 THR CA C 38 61.468 62.993 -1.525 1
1 446 . 11 1 1 A 38 38 THR CB C 38 69.124 70.995 -1.871 1
1 448 . 11 1 1 A 38 38 THR N N 38 113.585 108.709 4.876 1
1 449 . 11 1 1 A 39 39 VAL H H 39 8.254 8.073 0.181 1
1 450 . 11 1 1 A 39 39 VAL HA H 39 4.399 3.721 0.678 1
1 455 . 11 1 1 A 39 39 VAL C C 39 176.183 174.463 1.720 1
1 456 . 11 1 1 A 39 39 VAL CA C 39 62.431 63.366 -0.935 1
1 457 . 11 1 1 A 39 39 VAL CB C 39 32.795 29.444 3.351 1
1 459 . 11 1 1 A 39 39 VAL N N 39 120.756 117.939 2.817 1
1 460 . 11 1 1 A 40 40 GLU H H 40 8.732 7.697 1.035 1
1 461 . 11 1 1 A 40 40 GLU HA H 40 4.711 4.771 -0.060 1
1 464 . 11 1 1 A 40 40 GLU C C 40 175.571 175.374 0.197 1
1 465 . 11 1 1 A 40 40 GLU CA C 40 55.569 56.335 -0.766 1
1 466 . 11 1 1 A 40 40 GLU CB C 40 30.469 33.249 -2.780 1
1 468 . 11 1 1 A 40 40 GLU N N 40 124.791 119.455 5.336 1
1 469 . 11 1 1 A 41 41 GLY H H 41 8.145 8.485 -0.340 1
1 470 . 11 1 1 A 41 41 GLY HA2 H 41 4.236 4.188 0.048 1
1 471 . 11 1 1 A 41 41 GLY HA3 H 41 3.589 4.200 -0.611 1
1 472 . 11 1 1 A 41 41 GLY C C 41 172.517 171.887 0.630 1
1 473 . 11 1 1 A 41 41 GLY CA C 41 45.203 45.340 -0.137 1
1 474 . 11 1 1 A 41 41 GLY N N 41 107.758 110.772 -3.014 1
1 475 . 11 1 1 A 42 42 VAL H H 42 8.490 8.559 -0.069 1
1 476 . 11 1 1 A 42 42 VAL HA H 42 4.525 4.738 -0.213 1
1 481 . 11 1 1 A 42 42 VAL C C 42 176.739 176.047 0.692 1
1 482 . 11 1 1 A 42 42 VAL CA C 42 62.354 61.919 0.435 1
1 483 . 11 1 1 A 42 42 VAL CB C 42 33.355 32.751 0.604 1
1 485 . 11 1 1 A 42 42 VAL N N 42 121.959 119.587 2.372 1
1 486 . 11 1 1 A 43 43 TRP H H 43 9.465 9.053 0.412 1
1 487 . 11 1 1 A 43 43 TRP HA H 43 5.375 5.201 0.174 1
1 495 . 11 1 1 A 43 43 TRP C C 43 177.127 176.470 0.657 1
1 496 . 11 1 1 A 43 43 TRP CA C 43 58.056 57.785 0.271 1
1 497 . 11 1 1 A 43 43 TRP CB C 43 29.740 29.357 0.383 1
1 502 . 11 1 1 A 43 43 TRP N N 43 130.804 129.402 1.402 1
1 504 . 11 1 1 A 44 44 THR H H 44 9.380 9.436 -0.056 1
1 505 . 11 1 1 A 44 44 THR HA H 44 4.908 5.320 -0.412 1
1 510 . 11 1 1 A 44 44 THR C C 44 172.803 173.241 -0.438 1
1 511 . 11 1 1 A 44 44 THR CA C 44 61.075 59.669 1.406 1
1 512 . 11 1 1 A 44 44 THR CB C 44 72.681 72.347 0.334 1
1 514 . 11 1 1 A 44 44 THR N N 44 115.117 114.785 0.332 1
1 515 . 11 1 1 A 45 45 TYR H H 45 8.773 8.969 -0.196 1
1 516 . 11 1 1 A 45 45 TYR HA H 45 5.143 5.672 -0.529 1
1 521 . 11 1 1 A 45 45 TYR C C 45 174.047 173.624 0.423 1
1 522 . 11 1 1 A 45 45 TYR CA C 45 57.154 56.871 0.283 1
1 523 . 11 1 1 A 45 45 TYR CB C 45 41.212 42.417 -1.205 1
1 526 . 11 1 1 A 45 45 TYR N N 45 121.946 123.197 -1.251 1
1 527 . 11 1 1 A 46 46 LYS H H 46 7.505 8.272 -0.767 1
1 528 . 11 1 1 A 46 46 LYS HA H 46 4.457 4.536 -0.079 1
1 533 . 11 1 1 A 46 46 LYS C C 46 175.444 175.637 -0.193 1
1 534 . 11 1 1 A 46 46 LYS CA C 46 53.992 54.034 -0.042 1
1 535 . 11 1 1 A 46 46 LYS CB C 46 33.875 35.103 -1.228 1
1 539 . 11 1 1 A 46 46 LYS N N 46 128.658 126.083 2.575 1
1 540 . 11 1 1 A 47 47 ASP H H 47 8.807 8.658 0.149 1
1 541 . 11 1 1 A 47 47 ASP HA H 47 4.135 4.365 -0.230 1
1 544 . 11 1 1 A 47 47 ASP C C 47 179.380 177.696 1.684 1
1 545 . 11 1 1 A 47 47 ASP CA C 47 57.464 55.495 1.969 1
1 546 . 11 1 1 A 47 47 ASP CB C 47 42.288 40.803 1.485 1
1 547 . 11 1 1 A 47 47 ASP N N 47 126.643 123.520 3.123 1
1 548 . 11 1 1 A 48 48 GLU H H 48 9.909 7.887 2.022 1
1 549 . 11 1 1 A 48 48 GLU HA H 48 4.172 4.108 0.064 1
1 554 . 11 1 1 A 48 48 GLU C C 48 177.317 177.410 -0.093 1
1 555 . 11 1 1 A 48 48 GLU CA C 48 59.979 59.166 0.813 1
1 556 . 11 1 1 A 48 48 GLU CB C 48 28.699 29.895 -1.196 1
1 558 . 11 1 1 A 48 48 GLU N N 48 118.400 118.672 -0.272 1
1 559 . 11 1 1 A 49 49 ILE H H 49 6.510 7.248 -0.738 1
1 560 . 11 1 1 A 49 49 ILE HA H 49 4.697 4.290 0.407 1
1 568 . 11 1 1 A 49 49 ILE C C 49 175.868 175.103 0.765 1
1 569 . 11 1 1 A 49 49 ILE CA C 49 60.318 59.683 0.635 1
1 570 . 11 1 1 A 49 49 ILE CB C 49 38.324 38.006 0.318 1
1 574 . 11 1 1 A 49 49 ILE N N 49 105.782 112.761 -6.979 1
1 575 . 11 1 1 A 50 50 LYS H H 50 7.991 7.802 0.189 1
1 576 . 11 1 1 A 50 50 LYS HA H 50 4.336 3.900 0.436 1
1 581 . 11 1 1 A 50 50 LYS C C 50 174.829 174.918 -0.089 1
1 582 . 11 1 1 A 50 50 LYS CA C 50 55.959 56.890 -0.931 1
1 583 . 11 1 1 A 50 50 LYS CB C 50 29.232 30.708 -1.476 1
1 585 . 11 1 1 A 50 50 LYS N N 50 124.329 116.733 7.596 1
1 586 . 11 1 1 A 51 51 THR H H 51 7.174 7.230 -0.056 1
1 587 . 11 1 1 A 51 51 THR HA H 51 5.774 5.135 0.639 1
1 592 . 11 1 1 A 51 51 THR C C 51 173.893 172.920 0.973 1
1 593 . 11 1 1 A 51 51 THR CA C 51 62.217 61.128 1.089 1
1 594 . 11 1 1 A 51 51 THR CB C 51 73.248 71.903 1.345 1
1 596 . 11 1 1 A 51 51 THR N N 51 109.849 113.922 -4.073 1
1 597 . 11 1 1 A 52 52 PHE H H 52 10.338 9.917 0.421 1
1 598 . 11 1 1 A 52 52 PHE HA H 52 5.693 5.951 -0.258 1
1 605 . 11 1 1 A 52 52 PHE C C 52 174.361 175.191 -0.830 1
1 606 . 11 1 1 A 52 52 PHE CA C 52 57.260 56.413 0.847 1
1 607 . 11 1 1 A 52 52 PHE CB C 52 42.130 42.576 -0.446 1
1 612 . 11 1 1 A 52 52 PHE N N 52 130.662 125.870 4.792 1
1 613 . 11 1 1 A 53 53 THR H H 53 9.262 9.340 -0.078 1
1 614 . 11 1 1 A 53 53 THR HA H 53 5.288 4.916 0.372 1
1 619 . 11 1 1 A 53 53 THR C C 53 172.678 173.183 -0.505 1
1 620 . 11 1 1 A 53 53 THR CA C 53 61.511 61.148 0.363 1
1 621 . 11 1 1 A 53 53 THR CB C 53 70.861 72.409 -1.548 1
1 623 . 11 1 1 A 53 53 THR N N 53 118.205 114.511 3.694 1
1 624 . 11 1 1 A 54 54 VAL H H 54 8.628 8.786 -0.158 1
1 625 . 11 1 1 A 54 54 VAL HA H 54 4.599 4.983 -0.384 1
1 633 . 11 1 1 A 54 54 VAL C C 54 174.090 174.259 -0.169 1
1 634 . 11 1 1 A 54 54 VAL CA C 54 59.646 60.132 -0.486 1
1 635 . 11 1 1 A 54 54 VAL CB C 54 32.737 33.693 -0.956 1
1 637 . 11 1 1 A 54 54 VAL N N 54 125.183 122.299 2.884 1
1 638 . 11 1 1 A 55 55 THR H H 55 8.434 8.589 -0.155 1
1 639 . 11 1 1 A 55 55 THR HA H 55 4.951 4.840 0.111 1
1 644 . 11 1 1 A 55 55 THR C C 55 173.695 172.966 0.729 1
1 645 . 11 1 1 A 55 55 THR CA C 55 61.219 61.891 -0.672 1
1 646 . 11 1 1 A 55 55 THR CB C 55 71.454 69.601 1.853 1
1 648 . 11 1 1 A 55 55 THR N N 55 122.255 124.377 -2.122 1
1 9 . 12 1 1 A 2 2 THR H H 2 8.931 8.570 0.361 1
1 10 . 12 1 1 A 2 2 THR HA H 2 4.504 4.527 -0.023 1
1 15 . 12 1 1 A 2 2 THR C C 2 172.828 173.704 -0.876 1
1 16 . 12 1 1 A 2 2 THR CA C 2 63.506 61.982 1.524 1
1 17 . 12 1 1 A 2 2 THR CB C 2 68.833 68.775 0.058 1
1 19 . 12 1 1 A 2 2 THR N N 2 124.414 117.188 7.226 1
1 20 . 12 1 1 A 3 3 TYR H H 3 9.041 9.114 -0.073 1
1 21 . 12 1 1 A 3 3 TYR HA H 3 5.453 5.295 0.158 1
1 26 . 12 1 1 A 3 3 TYR C C 3 174.672 176.600 -1.928 1
1 27 . 12 1 1 A 3 3 TYR CA C 3 57.886 58.392 -0.506 1
1 28 . 12 1 1 A 3 3 TYR CB C 3 42.295 39.913 2.382 1
1 31 . 12 1 1 A 3 3 TYR N N 3 127.469 127.630 -0.161 1
1 32 . 12 1 1 A 4 4 LYS H H 4 9.046 8.635 0.411 1
1 33 . 12 1 1 A 4 4 LYS HA H 4 5.547 5.446 0.101 1
1 40 . 12 1 1 A 4 4 LYS C C 4 173.092 175.377 -2.285 1
1 41 . 12 1 1 A 4 4 LYS CA C 4 55.112 54.980 0.132 1
1 42 . 12 1 1 A 4 4 LYS CB C 4 35.889 36.407 -0.518 1
1 46 . 12 1 1 A 4 4 LYS N N 4 121.164 121.568 -0.404 1
1 47 . 12 1 1 A 5 5 LEU H H 5 9.017 9.000 0.017 1
1 48 . 12 1 1 A 5 5 LEU HA H 5 5.095 5.488 -0.393 1
1 58 . 12 1 1 A 5 5 LEU C C 5 174.914 174.311 0.603 1
1 59 . 12 1 1 A 5 5 LEU CA C 5 52.648 54.171 -1.523 1
1 60 . 12 1 1 A 5 5 LEU CB C 5 43.729 44.920 -1.191 1
1 63 . 12 1 1 A 5 5 LEU N N 5 126.371 123.855 2.516 1
1 64 . 12 1 1 A 6 6 ILE H H 6 9.129 9.260 -0.131 1
1 65 . 12 1 1 A 6 6 ILE HA H 6 4.502 4.690 -0.188 1
1 70 . 12 1 1 A 6 6 ILE C C 6 174.654 174.851 -0.197 1
1 71 . 12 1 1 A 6 6 ILE CA C 6 60.366 60.172 0.194 1
1 72 . 12 1 1 A 6 6 ILE CB C 6 38.760 38.641 0.119 1
1 76 . 12 1 1 A 6 6 ILE N N 6 126.264 127.968 -1.704 1
1 77 . 12 1 1 A 7 7 LEU H H 7 8.956 9.014 -0.058 1
1 78 . 12 1 1 A 7 7 LEU HA H 7 4.570 5.132 -0.562 1
1 84 . 12 1 1 A 7 7 LEU C C 7 174.493 174.971 -0.478 1
1 85 . 12 1 1 A 7 7 LEU CA C 7 53.644 53.247 0.397 1
1 86 . 12 1 1 A 7 7 LEU CB C 7 41.339 42.976 -1.637 1
1 89 . 12 1 1 A 7 7 LEU N N 7 126.422 128.289 -1.867 1
1 90 . 12 1 1 A 8 8 ASN H H 8 9.065 9.019 0.046 1
1 91 . 12 1 1 A 8 8 ASN HA H 8 5.181 5.446 -0.265 1
1 96 . 12 1 1 A 8 8 ASN C C 8 174.434 173.763 0.671 1
1 97 . 12 1 1 A 8 8 ASN CA C 8 51.851 51.587 0.264 1
1 98 . 12 1 1 A 8 8 ASN CB C 8 37.869 41.297 -3.428 1
1 99 . 12 1 1 A 8 8 ASN N N 8 125.633 123.583 2.050 1
1 101 . 12 1 1 A 9 9 LEU H H 9 7.720 8.787 -1.067 1
1 102 . 12 1 1 A 9 9 LEU HA H 9 4.754 4.928 -0.174 1
1 109 . 12 1 1 A 9 9 LEU C C 9 177.207 176.547 0.660 1
1 110 . 12 1 1 A 9 9 LEU CA C 9 53.431 53.169 0.262 1
1 111 . 12 1 1 A 9 9 LEU CB C 9 41.451 43.897 -2.446 1
1 114 . 12 1 1 A 9 9 LEU N N 9 121.516 126.395 -4.879 1
1 115 . 12 1 1 A 10 10 LYS H H 10 9.251 8.596 0.655 1
1 116 . 12 1 1 A 10 10 LYS HA H 10 4.034 4.420 -0.386 1
1 123 . 12 1 1 A 10 10 LYS C C 10 179.205 176.736 2.469 1
1 124 . 12 1 1 A 10 10 LYS CA C 10 59.720 56.108 3.612 1
1 125 . 12 1 1 A 10 10 LYS CB C 10 31.834 30.983 0.851 1
1 128 . 12 1 1 A 10 10 LYS N N 10 120.915 120.805 0.110 1
1 129 . 12 1 1 A 11 11 GLN H H 11 8.566 8.112 0.454 1
1 130 . 12 1 1 A 11 11 GLN HA H 11 4.447 4.567 -0.120 1
1 137 . 12 1 1 A 11 11 GLN C C 11 175.378 174.949 0.429 1
1 138 . 12 1 1 A 11 11 GLN CA C 11 56.019 56.890 -0.871 1
1 139 . 12 1 1 A 11 11 GLN CB C 11 29.175 32.152 -2.977 1
1 141 . 12 1 1 A 11 11 GLN N N 11 113.391 117.789 -4.398 1
1 143 . 12 1 1 A 12 12 ALA H H 12 7.186 7.534 -0.348 1
1 144 . 12 1 1 A 12 12 ALA HA H 12 4.506 4.554 -0.048 1
1 148 . 12 1 1 A 12 12 ALA C C 12 174.369 175.195 -0.826 1
1 149 . 12 1 1 A 12 12 ALA CA C 12 52.485 51.298 1.187 1
1 150 . 12 1 1 A 12 12 ALA CB C 12 21.424 22.022 -0.598 1
1 151 . 12 1 1 A 12 12 ALA N N 12 120.106 118.276 1.830 1
1 152 . 12 1 1 A 13 13 LYS H H 13 8.298 8.689 -0.391 1
1 153 . 12 1 1 A 13 13 LYS HA H 13 5.392 5.132 0.260 1
1 158 . 12 1 1 A 13 13 LYS C C 13 176.285 174.696 1.589 1
1 159 . 12 1 1 A 13 13 LYS CA C 13 55.138 54.511 0.627 1
1 160 . 12 1 1 A 13 13 LYS CB C 13 33.656 35.749 -2.093 1
1 164 . 12 1 1 A 13 13 LYS N N 13 120.804 115.194 5.610 1
1 165 . 12 1 1 A 14 14 GLU H H 14 8.640 8.856 -0.216 1
1 166 . 12 1 1 A 14 14 GLU HA H 14 4.879 4.890 -0.011 1
1 171 . 12 1 1 A 14 14 GLU C C 14 174.032 175.253 -1.221 1
1 172 . 12 1 1 A 14 14 GLU CA C 14 54.909 54.629 0.280 1
1 173 . 12 1 1 A 14 14 GLU CB C 14 34.407 32.851 1.556 1
1 175 . 12 1 1 A 14 14 GLU N N 14 123.450 123.755 -0.305 1
1 176 . 12 1 1 A 15 15 GLU H H 15 8.642 8.808 -0.166 1
1 177 . 12 1 1 A 15 15 GLU HA H 15 5.631 4.938 0.693 1
1 182 . 12 1 1 A 15 15 GLU C C 15 175.503 175.429 0.074 1
1 183 . 12 1 1 A 15 15 GLU CA C 15 54.638 54.887 -0.249 1
1 184 . 12 1 1 A 15 15 GLU CB C 15 34.147 31.617 2.530 1
1 186 . 12 1 1 A 15 15 GLU N N 15 120.056 122.813 -2.757 1
1 187 . 12 1 1 A 16 16 ALA H H 16 9.166 9.030 0.136 1
1 188 . 12 1 1 A 16 16 ALA HA H 16 4.981 5.514 -0.533 1
1 192 . 12 1 1 A 16 16 ALA C C 16 175.027 176.446 -1.419 1
1 193 . 12 1 1 A 16 16 ALA CA C 16 51.324 50.023 1.301 1
1 194 . 12 1 1 A 16 16 ALA CB C 16 22.552 21.547 1.005 1
1 195 . 12 1 1 A 16 16 ALA N N 16 124.648 127.958 -3.310 1
1 196 . 12 1 1 A 17 17 ILE H H 17 8.645 9.110 -0.465 1
1 197 . 12 1 1 A 17 17 ILE HA H 17 5.672 5.668 0.004 1
1 207 . 12 1 1 A 17 17 ILE C C 17 175.737 174.756 0.981 1
1 208 . 12 1 1 A 17 17 ILE CA C 17 59.733 59.025 0.708 1
1 209 . 12 1 1 A 17 17 ILE CB C 17 42.219 42.783 -0.564 1
1 213 . 12 1 1 A 17 17 ILE N N 17 116.684 117.637 -0.953 1
1 214 . 12 1 1 A 18 18 LYS H H 18 9.243 8.601 0.642 1
1 215 . 12 1 1 A 18 18 LYS HA H 18 4.548 4.627 -0.079 1
1 222 . 12 1 1 A 18 18 LYS C C 18 174.039 173.806 0.233 1
1 223 . 12 1 1 A 18 18 LYS CA C 18 54.956 55.707 -0.751 1
1 224 . 12 1 1 A 18 18 LYS CB C 18 37.101 36.521 0.580 1
1 228 . 12 1 1 A 18 18 LYS N N 18 123.578 122.113 1.465 1
1 229 . 12 1 1 A 19 19 GLU H H 19 8.812 8.516 0.296 1
1 230 . 12 1 1 A 19 19 GLU HA H 19 5.184 5.058 0.126 1
1 233 . 12 1 1 A 19 19 GLU C C 19 175.912 175.497 0.415 1
1 234 . 12 1 1 A 19 19 GLU CA C 19 55.340 55.042 0.298 1
1 235 . 12 1 1 A 19 19 GLU CB C 19 29.224 30.896 -1.672 1
1 237 . 12 1 1 A 19 19 GLU N N 19 129.720 124.910 4.810 1
1 238 . 12 1 1 A 20 20 ALA H H 20 9.425 8.333 1.092 1
1 239 . 12 1 1 A 20 20 ALA HA H 20 4.935 4.845 0.090 1
1 243 . 12 1 1 A 20 20 ALA C C 20 177.376 177.936 -0.560 1
1 244 . 12 1 1 A 20 20 ALA CA C 20 51.128 50.657 0.471 1
1 245 . 12 1 1 A 20 20 ALA CB C 20 23.405 22.497 0.908 1
1 246 . 12 1 1 A 20 20 ALA N N 20 127.622 127.576 0.046 1
1 247 . 12 1 1 A 21 21 VAL H H 21 8.620 8.609 0.011 1
1 248 . 12 1 1 A 21 21 VAL HA H 21 4.262 3.846 0.416 1
1 253 . 12 1 1 A 21 21 VAL C C 21 175.539 175.914 -0.375 1
1 254 . 12 1 1 A 21 21 VAL CA C 21 63.598 65.197 -1.599 1
1 255 . 12 1 1 A 21 21 VAL CB C 21 31.839 31.788 0.051 1
1 257 . 12 1 1 A 21 21 VAL N N 21 115.529 119.420 -3.891 1
1 258 . 12 1 1 A 22 22 ASP H H 22 7.405 8.108 -0.703 1
1 259 . 12 1 1 A 22 22 ASP HA H 22 4.946 5.030 -0.084 1
1 262 . 12 1 1 A 22 22 ASP C C 22 174.734 176.685 -1.951 1
1 263 . 12 1 1 A 22 22 ASP CA C 22 52.601 51.769 0.832 1
1 264 . 12 1 1 A 22 22 ASP CB C 22 42.748 42.218 0.530 1
1 265 . 12 1 1 A 22 22 ASP N N 22 115.513 119.974 -4.461 1
1 266 . 12 1 1 A 23 23 ALA H H 23 8.614 8.317 0.297 1
1 267 . 12 1 1 A 23 23 ALA HA H 23 3.294 3.616 -0.322 1
1 271 . 12 1 1 A 23 23 ALA C C 23 179.849 179.251 0.598 1
1 272 . 12 1 1 A 23 23 ALA CA C 23 54.858 53.433 1.425 1
1 273 . 12 1 1 A 23 23 ALA CB C 23 17.424 19.350 -1.926 1
1 274 . 12 1 1 A 23 23 ALA N N 23 121.829 120.844 0.985 1
1 275 . 12 1 1 A 24 24 GLY H H 24 8.555 8.411 0.144 1
1 276 . 12 1 1 A 24 24 GLY HA2 H 24 3.851 3.848 0.003 1
1 277 . 12 1 1 A 24 24 GLY HA3 H 24 3.851 3.873 -0.022 1
1 278 . 12 1 1 A 24 24 GLY C C 24 177.142 176.499 0.643 1
1 279 . 12 1 1 A 24 24 GLY CA C 24 46.839 46.833 0.006 1
1 280 . 12 1 1 A 24 24 GLY N N 24 106.435 106.369 0.066 1
1 281 . 12 1 1 A 25 25 THR H H 25 8.241 8.096 0.145 1
1 282 . 12 1 1 A 25 25 THR HA H 25 4.063 4.070 -0.007 1
1 287 . 12 1 1 A 25 25 THR C C 25 177.054 175.722 1.332 1
1 288 . 12 1 1 A 25 25 THR CA C 25 66.635 65.117 1.518 1
1 289 . 12 1 1 A 25 25 THR CB C 25 68.068 68.690 -0.622 1
1 291 . 12 1 1 A 25 25 THR N N 25 119.981 117.436 2.545 1
1 292 . 12 1 1 A 26 26 ALA H H 26 7.100 7.910 -0.810 1
1 293 . 12 1 1 A 26 26 ALA HA H 26 3.364 3.626 -0.262 1
1 297 . 12 1 1 A 26 26 ALA C C 26 177.098 179.052 -1.954 1
1 298 . 12 1 1 A 26 26 ALA CA C 26 55.502 54.616 0.886 1
1 299 . 12 1 1 A 26 26 ALA CB C 26 17.127 17.279 -0.152 1
1 300 . 12 1 1 A 26 26 ALA N N 26 124.535 123.666 0.869 1
1 301 . 12 1 1 A 27 27 GLU H H 27 8.739 8.279 0.460 1
1 302 . 12 1 1 A 27 27 GLU HA H 27 2.941 3.828 -0.887 1
1 307 . 12 1 1 A 27 27 GLU C C 27 177.368 178.535 -1.167 1
1 308 . 12 1 1 A 27 27 GLU CA C 27 60.190 59.486 0.704 1
1 309 . 12 1 1 A 27 27 GLU CB C 27 29.225 28.990 0.235 1
1 311 . 12 1 1 A 27 27 GLU N N 27 118.116 118.281 -0.165 1
1 312 . 12 1 1 A 28 28 LYS H H 28 7.333 7.523 -0.190 1
1 313 . 12 1 1 A 28 28 LYS HA H 28 3.764 4.060 -0.296 1
1 320 . 12 1 1 A 28 28 LYS C C 28 178.993 178.420 0.573 1
1 321 . 12 1 1 A 28 28 LYS CA C 28 59.881 58.920 0.961 1
1 322 . 12 1 1 A 28 28 LYS CB C 28 32.382 32.072 0.310 1
1 324 . 12 1 1 A 28 28 LYS N N 28 116.088 118.374 -2.286 1
1 325 . 12 1 1 A 29 29 TYR H H 29 7.016 7.957 -0.941 1
1 326 . 12 1 1 A 29 29 TYR HA H 29 4.273 4.245 0.028 1
1 333 . 12 1 1 A 29 29 TYR C C 29 177.581 177.554 0.027 1
1 334 . 12 1 1 A 29 29 TYR CA C 29 61.050 61.489 -0.439 1
1 335 . 12 1 1 A 29 29 TYR CB C 29 37.860 38.363 -0.503 1
1 340 . 12 1 1 A 29 29 TYR N N 29 119.155 121.686 -2.531 1
1 341 . 12 1 1 A 30 30 PHE H H 30 8.775 8.735 0.040 1
1 342 . 12 1 1 A 30 30 PHE HA H 30 4.619 4.140 0.479 1
1 349 . 12 1 1 A 30 30 PHE C C 30 178.612 177.967 0.645 1
1 350 . 12 1 1 A 30 30 PHE CA C 30 57.312 62.347 -5.035 1
1 351 . 12 1 1 A 30 30 PHE CB C 30 37.667 38.430 -0.763 1
1 356 . 12 1 1 A 30 30 PHE N N 30 118.969 119.127 -0.158 1
1 357 . 12 1 1 A 31 31 LYS H H 31 8.977 8.936 0.041 1
1 358 . 12 1 1 A 31 31 LYS HA H 31 4.141 4.344 -0.203 1
1 363 . 12 1 1 A 31 31 LYS C C 31 178.781 178.867 -0.086 1
1 364 . 12 1 1 A 31 31 LYS CA C 31 59.878 59.501 0.377 1
1 365 . 12 1 1 A 31 31 LYS CB C 31 31.707 32.258 -0.551 1
1 367 . 12 1 1 A 31 31 LYS N N 31 121.474 120.564 0.910 1
1 368 . 12 1 1 A 32 32 LEU H H 32 7.215 7.669 -0.454 1
1 369 . 12 1 1 A 32 32 LEU HA H 32 4.179 4.086 0.093 1
1 376 . 12 1 1 A 32 32 LEU C C 32 180.639 179.358 1.281 1
1 377 . 12 1 1 A 32 32 LEU CA C 32 57.933 57.414 0.519 1
1 378 . 12 1 1 A 32 32 LEU CB C 32 41.283 41.449 -0.166 1
1 381 . 12 1 1 A 32 32 LEU N N 32 118.836 119.495 -0.659 1
1 382 . 12 1 1 A 33 33 ILE H H 33 7.397 7.578 -0.181 1
1 383 . 12 1 1 A 33 33 ILE HA H 33 3.896 3.846 0.050 1
1 388 . 12 1 1 A 33 33 ILE C C 33 178.546 177.645 0.901 1
1 389 . 12 1 1 A 33 33 ILE CA C 33 63.892 63.689 0.203 1
1 390 . 12 1 1 A 33 33 ILE CB C 33 37.582 37.946 -0.364 1
1 393 . 12 1 1 A 33 33 ILE N N 33 118.838 119.696 -0.858 1
1 394 . 12 1 1 A 34 34 ALA H H 34 8.593 8.851 -0.258 1
1 395 . 12 1 1 A 34 34 ALA HA H 34 3.984 4.002 -0.018 1
1 399 . 12 1 1 A 34 34 ALA C C 34 179.571 180.527 -0.956 1
1 400 . 12 1 1 A 34 34 ALA CA C 34 55.141 55.719 -0.578 1
1 401 . 12 1 1 A 34 34 ALA CB C 34 18.671 18.403 0.268 1
1 402 . 12 1 1 A 34 34 ALA N N 34 121.471 123.981 -2.510 1
1 403 . 12 1 1 A 35 35 ASN H H 35 8.503 8.234 0.269 1
1 404 . 12 1 1 A 35 35 ASN HA H 35 4.707 4.528 0.179 1
1 409 . 12 1 1 A 35 35 ASN C C 35 177.434 177.242 0.192 1
1 410 . 12 1 1 A 35 35 ASN CA C 35 55.732 55.854 -0.122 1
1 411 . 12 1 1 A 35 35 ASN CB C 35 38.224 37.893 0.331 1
1 412 . 12 1 1 A 35 35 ASN N N 35 116.283 116.889 -0.606 1
1 414 . 12 1 1 A 36 36 ALA H H 36 7.610 7.355 0.255 1
1 415 . 12 1 1 A 36 36 ALA HA H 36 4.363 4.063 0.300 1
1 419 . 12 1 1 A 36 36 ALA C C 36 178.715 178.038 0.677 1
1 420 . 12 1 1 A 36 36 ALA CA C 36 54.004 54.025 -0.021 1
1 421 . 12 1 1 A 36 36 ALA CB C 36 19.224 18.345 0.879 1
1 422 . 12 1 1 A 36 36 ALA N N 36 120.620 121.251 -0.631 1
1 423 . 12 1 1 A 37 37 LYS H H 37 7.673 7.769 -0.096 1
1 424 . 12 1 1 A 37 37 LYS HA H 37 4.436 4.491 -0.055 1
1 431 . 12 1 1 A 37 37 LYS C C 37 175.876 175.624 0.252 1
1 432 . 12 1 1 A 37 37 LYS CA C 37 56.284 55.541 0.743 1
1 433 . 12 1 1 A 37 37 LYS CB C 37 34.026 33.793 0.233 1
1 437 . 12 1 1 A 37 37 LYS N N 37 116.344 114.957 1.387 1
1 438 . 12 1 1 A 38 38 THR H H 38 8.122 7.411 0.711 1
1 439 . 12 1 1 A 38 38 THR HA H 38 4.409 4.683 -0.274 1
1 444 . 12 1 1 A 38 38 THR C C 38 172.766 172.672 0.094 1
1 445 . 12 1 1 A 38 38 THR CA C 38 61.468 60.930 0.538 1
1 446 . 12 1 1 A 38 38 THR CB C 38 69.124 72.697 -3.573 1
1 448 . 12 1 1 A 38 38 THR N N 38 113.585 113.101 0.484 1
1 449 . 12 1 1 A 39 39 VAL H H 39 8.254 8.538 -0.284 1
1 450 . 12 1 1 A 39 39 VAL HA H 39 4.399 4.553 -0.154 1
1 455 . 12 1 1 A 39 39 VAL C C 39 176.183 175.173 1.010 1
1 456 . 12 1 1 A 39 39 VAL CA C 39 62.431 61.157 1.274 1
1 457 . 12 1 1 A 39 39 VAL CB C 39 32.795 32.858 -0.063 1
1 459 . 12 1 1 A 39 39 VAL N N 39 120.756 119.385 1.371 1
1 460 . 12 1 1 A 40 40 GLU H H 40 8.732 7.684 1.048 1
1 461 . 12 1 1 A 40 40 GLU HA H 40 4.711 4.733 -0.022 1
1 464 . 12 1 1 A 40 40 GLU C C 40 175.571 175.221 0.350 1
1 465 . 12 1 1 A 40 40 GLU CA C 40 55.569 56.347 -0.778 1
1 466 . 12 1 1 A 40 40 GLU CB C 40 30.469 32.846 -2.377 1
1 468 . 12 1 1 A 40 40 GLU N N 40 124.791 121.530 3.261 1
1 469 . 12 1 1 A 41 41 GLY H H 41 8.145 8.502 -0.357 1
1 470 . 12 1 1 A 41 41 GLY HA2 H 41 4.236 4.127 0.109 1
1 471 . 12 1 1 A 41 41 GLY HA3 H 41 3.589 4.142 -0.553 1
1 472 . 12 1 1 A 41 41 GLY C C 41 172.517 171.539 0.978 1
1 473 . 12 1 1 A 41 41 GLY CA C 41 45.203 45.800 -0.597 1
1 474 . 12 1 1 A 41 41 GLY N N 41 107.758 111.752 -3.994 1
1 475 . 12 1 1 A 42 42 VAL H H 42 8.490 8.628 -0.138 1
1 476 . 12 1 1 A 42 42 VAL HA H 42 4.525 4.873 -0.348 1
1 481 . 12 1 1 A 42 42 VAL C C 42 176.739 174.813 1.926 1
1 482 . 12 1 1 A 42 42 VAL CA C 42 62.354 60.407 1.947 1
1 483 . 12 1 1 A 42 42 VAL CB C 42 33.355 34.113 -0.758 1
1 485 . 12 1 1 A 42 42 VAL N N 42 121.959 120.132 1.827 1
1 486 . 12 1 1 A 43 43 TRP H H 43 9.465 8.989 0.476 1
1 487 . 12 1 1 A 43 43 TRP HA H 43 5.375 5.220 0.155 1
1 495 . 12 1 1 A 43 43 TRP C C 43 177.127 176.484 0.643 1
1 496 . 12 1 1 A 43 43 TRP CA C 43 58.056 57.819 0.237 1
1 497 . 12 1 1 A 43 43 TRP CB C 43 29.740 30.404 -0.664 1
1 502 . 12 1 1 A 43 43 TRP N N 43 130.804 130.376 0.428 1
1 504 . 12 1 1 A 44 44 THR H H 44 9.380 8.737 0.643 1
1 505 . 12 1 1 A 44 44 THR HA H 44 4.908 5.348 -0.440 1
1 510 . 12 1 1 A 44 44 THR C C 44 172.803 172.744 0.059 1
1 511 . 12 1 1 A 44 44 THR CA C 44 61.075 60.548 0.527 1
1 512 . 12 1 1 A 44 44 THR CB C 44 72.681 72.408 0.273 1
1 514 . 12 1 1 A 44 44 THR N N 44 115.117 113.750 1.367 1
1 515 . 12 1 1 A 45 45 TYR H H 45 8.773 8.966 -0.193 1
1 516 . 12 1 1 A 45 45 TYR HA H 45 5.143 5.775 -0.632 1
1 521 . 12 1 1 A 45 45 TYR C C 45 174.047 173.206 0.841 1
1 522 . 12 1 1 A 45 45 TYR CA C 45 57.154 56.900 0.254 1
1 523 . 12 1 1 A 45 45 TYR CB C 45 41.212 42.619 -1.407 1
1 526 . 12 1 1 A 45 45 TYR N N 45 121.946 122.774 -0.828 1
1 527 . 12 1 1 A 46 46 LYS H H 46 7.505 8.874 -1.369 1
1 528 . 12 1 1 A 46 46 LYS HA H 46 4.457 4.744 -0.287 1
1 533 . 12 1 1 A 46 46 LYS C C 46 175.444 174.712 0.732 1
1 534 . 12 1 1 A 46 46 LYS CA C 46 53.992 53.605 0.387 1
1 535 . 12 1 1 A 46 46 LYS CB C 46 33.875 35.962 -2.087 1
1 539 . 12 1 1 A 46 46 LYS N N 46 128.658 126.816 1.842 1
1 540 . 12 1 1 A 47 47 ASP H H 47 8.807 8.691 0.116 1
1 541 . 12 1 1 A 47 47 ASP HA H 47 4.135 4.605 -0.470 1
1 544 . 12 1 1 A 47 47 ASP C C 47 179.380 175.488 3.892 1
1 545 . 12 1 1 A 47 47 ASP CA C 47 57.464 53.536 3.928 1
1 546 . 12 1 1 A 47 47 ASP CB C 47 42.288 41.522 0.766 1
1 547 . 12 1 1 A 47 47 ASP N N 47 126.643 125.294 1.349 1
1 548 . 12 1 1 A 48 48 GLU H H 48 9.909 8.579 1.330 1
1 549 . 12 1 1 A 48 48 GLU HA H 48 4.172 4.354 -0.182 1
1 554 . 12 1 1 A 48 48 GLU C C 48 177.317 176.033 1.284 1
1 555 . 12 1 1 A 48 48 GLU CA C 48 59.979 56.885 3.094 1
1 556 . 12 1 1 A 48 48 GLU CB C 48 28.699 31.221 -2.522 1
1 558 . 12 1 1 A 48 48 GLU N N 48 118.400 118.974 -0.574 1
1 559 . 12 1 1 A 49 49 ILE H H 49 6.510 7.884 -1.374 1
1 560 . 12 1 1 A 49 49 ILE HA H 49 4.697 4.342 0.355 1
1 568 . 12 1 1 A 49 49 ILE C C 49 175.868 175.242 0.626 1
1 569 . 12 1 1 A 49 49 ILE CA C 49 60.318 59.816 0.502 1
1 570 . 12 1 1 A 49 49 ILE CB C 49 38.324 37.564 0.760 1
1 574 . 12 1 1 A 49 49 ILE N N 49 105.782 115.191 -9.409 1
1 575 . 12 1 1 A 50 50 LYS H H 50 7.991 7.813 0.178 1
1 576 . 12 1 1 A 50 50 LYS HA H 50 4.336 4.066 0.270 1
1 581 . 12 1 1 A 50 50 LYS C C 50 174.829 174.866 -0.037 1
1 582 . 12 1 1 A 50 50 LYS CA C 50 55.959 56.891 -0.932 1
1 583 . 12 1 1 A 50 50 LYS CB C 50 29.232 30.853 -1.621 1
1 585 . 12 1 1 A 50 50 LYS N N 50 124.329 116.756 7.573 1
1 586 . 12 1 1 A 51 51 THR H H 51 7.174 7.223 -0.049 1
1 587 . 12 1 1 A 51 51 THR HA H 51 5.774 5.352 0.422 1
1 592 . 12 1 1 A 51 51 THR C C 51 173.893 172.089 1.804 1
1 593 . 12 1 1 A 51 51 THR CA C 51 62.217 59.952 2.265 1
1 594 . 12 1 1 A 51 51 THR CB C 51 73.248 71.633 1.615 1
1 596 . 12 1 1 A 51 51 THR N N 51 109.849 114.185 -4.336 1
1 597 . 12 1 1 A 52 52 PHE H H 52 10.338 9.787 0.551 1
1 598 . 12 1 1 A 52 52 PHE HA H 52 5.693 5.899 -0.206 1
1 605 . 12 1 1 A 52 52 PHE C C 52 174.361 174.726 -0.365 1
1 606 . 12 1 1 A 52 52 PHE CA C 52 57.260 55.965 1.295 1
1 607 . 12 1 1 A 52 52 PHE CB C 52 42.130 43.740 -1.610 1
1 612 . 12 1 1 A 52 52 PHE N N 52 130.662 125.496 5.166 1
1 613 . 12 1 1 A 53 53 THR H H 53 9.262 9.492 -0.230 1
1 614 . 12 1 1 A 53 53 THR HA H 53 5.288 5.007 0.281 1
1 619 . 12 1 1 A 53 53 THR C C 53 172.678 173.298 -0.620 1
1 620 . 12 1 1 A 53 53 THR CA C 53 61.511 61.161 0.350 1
1 621 . 12 1 1 A 53 53 THR CB C 53 70.861 72.352 -1.491 1
1 623 . 12 1 1 A 53 53 THR N N 53 118.205 115.130 3.075 1
1 624 . 12 1 1 A 54 54 VAL H H 54 8.628 9.164 -0.536 1
1 625 . 12 1 1 A 54 54 VAL HA H 54 4.599 5.042 -0.443 1
1 633 . 12 1 1 A 54 54 VAL C C 54 174.090 174.154 -0.064 1
1 634 . 12 1 1 A 54 54 VAL CA C 54 59.646 60.035 -0.389 1
1 635 . 12 1 1 A 54 54 VAL CB C 54 32.737 33.775 -1.038 1
1 637 . 12 1 1 A 54 54 VAL N N 54 125.183 122.647 2.536 1
1 638 . 12 1 1 A 55 55 THR H H 55 8.434 8.630 -0.196 1
1 639 . 12 1 1 A 55 55 THR HA H 55 4.951 4.936 0.015 1
1 644 . 12 1 1 A 55 55 THR C C 55 173.695 172.778 0.917 1
1 645 . 12 1 1 A 55 55 THR CA C 55 61.219 61.458 -0.239 1
1 646 . 12 1 1 A 55 55 THR CB C 55 71.454 70.420 1.034 1
1 648 . 12 1 1 A 55 55 THR N N 55 122.255 124.280 -2.025 1
1 9 . 13 1 1 A 2 2 THR H H 2 8.931 7.763 1.168 1
1 10 . 13 1 1 A 2 2 THR HA H 2 4.504 4.950 -0.446 1
1 15 . 13 1 1 A 2 2 THR C C 2 172.828 172.906 -0.078 1
1 16 . 13 1 1 A 2 2 THR CA C 2 63.506 60.639 2.867 1
1 17 . 13 1 1 A 2 2 THR CB C 2 68.833 70.796 -1.963 1
1 19 . 13 1 1 A 2 2 THR N N 2 124.414 112.525 11.889 1
1 20 . 13 1 1 A 3 3 TYR H H 3 9.041 8.829 0.212 1
1 21 . 13 1 1 A 3 3 TYR HA H 3 5.453 5.605 -0.152 1
1 26 . 13 1 1 A 3 3 TYR C C 3 174.672 175.702 -1.030 1
1 27 . 13 1 1 A 3 3 TYR CA C 3 57.886 57.235 0.651 1
1 28 . 13 1 1 A 3 3 TYR CB C 3 42.295 41.398 0.897 1
1 31 . 13 1 1 A 3 3 TYR N N 3 127.469 125.403 2.066 1
1 32 . 13 1 1 A 4 4 LYS H H 4 9.046 8.549 0.497 1
1 33 . 13 1 1 A 4 4 LYS HA H 4 5.547 5.665 -0.118 1
1 40 . 13 1 1 A 4 4 LYS C C 4 173.092 174.844 -1.752 1
1 41 . 13 1 1 A 4 4 LYS CA C 4 55.112 54.886 0.226 1
1 42 . 13 1 1 A 4 4 LYS CB C 4 35.889 36.295 -0.406 1
1 46 . 13 1 1 A 4 4 LYS N N 4 121.164 121.253 -0.089 1
1 47 . 13 1 1 A 5 5 LEU H H 5 9.017 9.568 -0.551 1
1 48 . 13 1 1 A 5 5 LEU HA H 5 5.095 5.262 -0.167 1
1 58 . 13 1 1 A 5 5 LEU C C 5 174.914 174.345 0.569 1
1 59 . 13 1 1 A 5 5 LEU CA C 5 52.648 53.716 -1.068 1
1 60 . 13 1 1 A 5 5 LEU CB C 5 43.729 44.516 -0.787 1
1 63 . 13 1 1 A 5 5 LEU N N 5 126.371 123.710 2.661 1
1 64 . 13 1 1 A 6 6 ILE H H 6 9.129 9.380 -0.251 1
1 65 . 13 1 1 A 6 6 ILE HA H 6 4.502 4.810 -0.308 1
1 70 . 13 1 1 A 6 6 ILE C C 6 174.654 175.071 -0.417 1
1 71 . 13 1 1 A 6 6 ILE CA C 6 60.366 59.606 0.760 1
1 72 . 13 1 1 A 6 6 ILE CB C 6 38.760 38.744 0.016 1
1 76 . 13 1 1 A 6 6 ILE N N 6 126.264 127.930 -1.666 1
1 77 . 13 1 1 A 7 7 LEU H H 7 8.956 8.980 -0.024 1
1 78 . 13 1 1 A 7 7 LEU HA H 7 4.570 5.082 -0.512 1
1 84 . 13 1 1 A 7 7 LEU C C 7 174.493 175.214 -0.721 1
1 85 . 13 1 1 A 7 7 LEU CA C 7 53.644 53.005 0.639 1
1 86 . 13 1 1 A 7 7 LEU CB C 7 41.339 44.229 -2.890 1
1 89 . 13 1 1 A 7 7 LEU N N 7 126.422 128.254 -1.832 1
1 90 . 13 1 1 A 8 8 ASN H H 8 9.065 8.881 0.184 1
1 91 . 13 1 1 A 8 8 ASN HA H 8 5.181 5.256 -0.075 1
1 96 . 13 1 1 A 8 8 ASN C C 8 174.434 173.806 0.628 1
1 97 . 13 1 1 A 8 8 ASN CA C 8 51.851 51.903 -0.052 1
1 98 . 13 1 1 A 8 8 ASN CB C 8 37.869 40.062 -2.193 1
1 99 . 13 1 1 A 8 8 ASN N N 8 125.633 123.657 1.976 1
1 101 . 13 1 1 A 9 9 LEU H H 9 7.720 8.754 -1.034 1
1 102 . 13 1 1 A 9 9 LEU HA H 9 4.754 4.871 -0.117 1
1 109 . 13 1 1 A 9 9 LEU C C 9 177.207 177.743 -0.536 1
1 110 . 13 1 1 A 9 9 LEU CA C 9 53.431 53.168 0.263 1
1 111 . 13 1 1 A 9 9 LEU CB C 9 41.451 43.746 -2.295 1
1 114 . 13 1 1 A 9 9 LEU N N 9 121.516 127.304 -5.788 1
1 115 . 13 1 1 A 10 10 LYS H H 10 9.251 8.482 0.769 1
1 116 . 13 1 1 A 10 10 LYS HA H 10 4.034 4.262 -0.228 1
1 123 . 13 1 1 A 10 10 LYS C C 10 179.205 175.960 3.245 1
1 124 . 13 1 1 A 10 10 LYS CA C 10 59.720 56.469 3.251 1
1 125 . 13 1 1 A 10 10 LYS CB C 10 31.834 31.907 -0.073 1
1 128 . 13 1 1 A 10 10 LYS N N 10 120.915 120.432 0.483 1
1 129 . 13 1 1 A 11 11 GLN H H 11 8.566 7.724 0.842 1
1 130 . 13 1 1 A 11 11 GLN HA H 11 4.447 4.620 -0.173 1
1 137 . 13 1 1 A 11 11 GLN C C 11 175.378 175.102 0.276 1
1 138 . 13 1 1 A 11 11 GLN CA C 11 56.019 54.887 1.132 1
1 139 . 13 1 1 A 11 11 GLN CB C 11 29.175 29.538 -0.363 1
1 141 . 13 1 1 A 11 11 GLN N N 11 113.391 118.727 -5.336 1
1 143 . 13 1 1 A 12 12 ALA H H 12 7.186 8.210 -1.024 1
1 144 . 13 1 1 A 12 12 ALA HA H 12 4.506 4.142 0.364 1
1 148 . 13 1 1 A 12 12 ALA C C 12 174.369 177.528 -3.159 1
1 149 . 13 1 1 A 12 12 ALA CA C 12 52.485 53.821 -1.336 1
1 150 . 13 1 1 A 12 12 ALA CB C 12 21.424 18.292 3.132 1
1 151 . 13 1 1 A 12 12 ALA N N 12 120.106 118.648 1.458 1
1 152 . 13 1 1 A 13 13 LYS H H 13 8.298 8.529 -0.231 1
1 153 . 13 1 1 A 13 13 LYS HA H 13 5.392 4.617 0.775 1
1 158 . 13 1 1 A 13 13 LYS C C 13 176.285 175.264 1.021 1
1 159 . 13 1 1 A 13 13 LYS CA C 13 55.138 55.961 -0.823 1
1 160 . 13 1 1 A 13 13 LYS CB C 13 33.656 32.923 0.733 1
1 164 . 13 1 1 A 13 13 LYS N N 13 120.804 120.447 0.357 1
1 165 . 13 1 1 A 14 14 GLU H H 14 8.640 8.343 0.297 1
1 166 . 13 1 1 A 14 14 GLU HA H 14 4.879 4.929 -0.050 1
1 171 . 13 1 1 A 14 14 GLU C C 14 174.032 175.251 -1.219 1
1 172 . 13 1 1 A 14 14 GLU CA C 14 54.909 54.701 0.208 1
1 173 . 13 1 1 A 14 14 GLU CB C 14 34.407 33.178 1.229 1
1 175 . 13 1 1 A 14 14 GLU N N 14 123.450 121.744 1.706 1
1 176 . 13 1 1 A 15 15 GLU H H 15 8.642 8.942 -0.300 1
1 177 . 13 1 1 A 15 15 GLU HA H 15 5.631 4.970 0.661 1
1 182 . 13 1 1 A 15 15 GLU C C 15 175.503 175.356 0.147 1
1 183 . 13 1 1 A 15 15 GLU CA C 15 54.638 55.252 -0.614 1
1 184 . 13 1 1 A 15 15 GLU CB C 15 34.147 31.656 2.491 1
1 186 . 13 1 1 A 15 15 GLU N N 15 120.056 123.874 -3.818 1
1 187 . 13 1 1 A 16 16 ALA H H 16 9.166 9.701 -0.535 1
1 188 . 13 1 1 A 16 16 ALA HA H 16 4.981 5.694 -0.713 1
1 192 . 13 1 1 A 16 16 ALA C C 16 175.027 176.749 -1.722 1
1 193 . 13 1 1 A 16 16 ALA CA C 16 51.324 50.116 1.208 1
1 194 . 13 1 1 A 16 16 ALA CB C 16 22.552 22.176 0.376 1
1 195 . 13 1 1 A 16 16 ALA N N 16 124.648 126.405 -1.757 1
1 196 . 13 1 1 A 17 17 ILE H H 17 8.645 9.133 -0.488 1
1 197 . 13 1 1 A 17 17 ILE HA H 17 5.672 5.633 0.039 1
1 207 . 13 1 1 A 17 17 ILE C C 17 175.737 174.603 1.134 1
1 208 . 13 1 1 A 17 17 ILE CA C 17 59.733 58.893 0.840 1
1 209 . 13 1 1 A 17 17 ILE CB C 17 42.219 42.741 -0.522 1
1 213 . 13 1 1 A 17 17 ILE N N 17 116.684 117.527 -0.843 1
1 214 . 13 1 1 A 18 18 LYS H H 18 9.243 8.422 0.821 1
1 215 . 13 1 1 A 18 18 LYS HA H 18 4.548 4.552 -0.004 1
1 222 . 13 1 1 A 18 18 LYS C C 18 174.039 173.702 0.337 1
1 223 . 13 1 1 A 18 18 LYS CA C 18 54.956 55.687 -0.731 1
1 224 . 13 1 1 A 18 18 LYS CB C 18 37.101 36.407 0.694 1
1 228 . 13 1 1 A 18 18 LYS N N 18 123.578 121.969 1.609 1
1 229 . 13 1 1 A 19 19 GLU H H 19 8.812 9.028 -0.216 1
1 230 . 13 1 1 A 19 19 GLU HA H 19 5.184 5.358 -0.174 1
1 233 . 13 1 1 A 19 19 GLU C C 19 175.912 175.729 0.183 1
1 234 . 13 1 1 A 19 19 GLU CA C 19 55.340 54.680 0.660 1
1 235 . 13 1 1 A 19 19 GLU CB C 19 29.224 31.861 -2.637 1
1 237 . 13 1 1 A 19 19 GLU N N 19 129.720 126.187 3.533 1
1 238 . 13 1 1 A 20 20 ALA H H 20 9.425 9.102 0.323 1
1 239 . 13 1 1 A 20 20 ALA HA H 20 4.935 5.139 -0.204 1
1 243 . 13 1 1 A 20 20 ALA C C 20 177.376 177.289 0.087 1
1 244 . 13 1 1 A 20 20 ALA CA C 20 51.128 50.397 0.731 1
1 245 . 13 1 1 A 20 20 ALA CB C 20 23.405 23.668 -0.263 1
1 246 . 13 1 1 A 20 20 ALA N N 20 127.622 129.912 -2.290 1
1 247 . 13 1 1 A 21 21 VAL H H 21 8.620 8.562 0.058 1
1 248 . 13 1 1 A 21 21 VAL HA H 21 4.262 4.335 -0.073 1
1 253 . 13 1 1 A 21 21 VAL C C 21 175.539 174.910 0.629 1
1 254 . 13 1 1 A 21 21 VAL CA C 21 63.598 62.658 0.940 1
1 255 . 13 1 1 A 21 21 VAL CB C 21 31.839 32.632 -0.793 1
1 257 . 13 1 1 A 21 21 VAL N N 21 115.529 119.520 -3.991 1
1 258 . 13 1 1 A 22 22 ASP H H 22 7.405 7.735 -0.330 1
1 259 . 13 1 1 A 22 22 ASP HA H 22 4.946 4.949 -0.003 1
1 262 . 13 1 1 A 22 22 ASP C C 22 174.734 174.663 0.071 1
1 263 . 13 1 1 A 22 22 ASP CA C 22 52.601 53.192 -0.591 1
1 264 . 13 1 1 A 22 22 ASP CB C 22 42.748 44.034 -1.286 1
1 265 . 13 1 1 A 22 22 ASP N N 22 115.513 121.896 -6.383 1
1 266 . 13 1 1 A 23 23 ALA H H 23 8.614 8.643 -0.029 1
1 267 . 13 1 1 A 23 23 ALA HA H 23 3.294 3.627 -0.333 1
1 271 . 13 1 1 A 23 23 ALA C C 23 179.849 179.248 0.601 1
1 272 . 13 1 1 A 23 23 ALA CA C 23 54.858 53.401 1.457 1
1 273 . 13 1 1 A 23 23 ALA CB C 23 17.424 19.526 -2.102 1
1 274 . 13 1 1 A 23 23 ALA N N 23 121.829 123.359 -1.530 1
1 275 . 13 1 1 A 24 24 GLY H H 24 8.555 8.426 0.129 1
1 276 . 13 1 1 A 24 24 GLY HA2 H 24 3.851 3.871 -0.020 1
1 277 . 13 1 1 A 24 24 GLY HA3 H 24 3.851 3.886 -0.035 1
1 278 . 13 1 1 A 24 24 GLY C C 24 177.142 176.187 0.955 1
1 279 . 13 1 1 A 24 24 GLY CA C 24 46.839 46.866 -0.027 1
1 280 . 13 1 1 A 24 24 GLY N N 24 106.435 106.329 0.106 1
1 281 . 13 1 1 A 25 25 THR H H 25 8.241 7.876 0.365 1
1 282 . 13 1 1 A 25 25 THR HA H 25 4.063 4.062 0.001 1
1 287 . 13 1 1 A 25 25 THR C C 25 177.054 176.035 1.019 1
1 288 . 13 1 1 A 25 25 THR CA C 25 66.635 65.061 1.574 1
1 289 . 13 1 1 A 25 25 THR CB C 25 68.068 68.525 -0.457 1
1 291 . 13 1 1 A 25 25 THR N N 25 119.981 117.705 2.276 1
1 292 . 13 1 1 A 26 26 ALA H H 26 7.100 7.948 -0.848 1
1 293 . 13 1 1 A 26 26 ALA HA H 26 3.364 3.596 -0.232 1
1 297 . 13 1 1 A 26 26 ALA C C 26 177.098 178.935 -1.837 1
1 298 . 13 1 1 A 26 26 ALA CA C 26 55.502 54.690 0.812 1
1 299 . 13 1 1 A 26 26 ALA CB C 26 17.127 17.590 -0.463 1
1 300 . 13 1 1 A 26 26 ALA N N 26 124.535 123.902 0.633 1
1 301 . 13 1 1 A 27 27 GLU H H 27 8.739 8.262 0.477 1
1 302 . 13 1 1 A 27 27 GLU HA H 27 2.941 3.974 -1.033 1
1 307 . 13 1 1 A 27 27 GLU C C 27 177.368 178.565 -1.197 1
1 308 . 13 1 1 A 27 27 GLU CA C 27 60.190 59.646 0.544 1
1 309 . 13 1 1 A 27 27 GLU CB C 27 29.225 29.085 0.140 1
1 311 . 13 1 1 A 27 27 GLU N N 27 118.116 118.575 -0.459 1
1 312 . 13 1 1 A 28 28 LYS H H 28 7.333 7.527 -0.194 1
1 313 . 13 1 1 A 28 28 LYS HA H 28 3.764 4.062 -0.298 1
1 320 . 13 1 1 A 28 28 LYS C C 28 178.993 178.472 0.521 1
1 321 . 13 1 1 A 28 28 LYS CA C 28 59.881 58.745 1.136 1
1 322 . 13 1 1 A 28 28 LYS CB C 28 32.382 32.129 0.253 1
1 324 . 13 1 1 A 28 28 LYS N N 28 116.088 118.310 -2.222 1
1 325 . 13 1 1 A 29 29 TYR H H 29 7.016 7.853 -0.837 1
1 326 . 13 1 1 A 29 29 TYR HA H 29 4.273 4.224 0.049 1
1 333 . 13 1 1 A 29 29 TYR C C 29 177.581 177.605 -0.024 1
1 334 . 13 1 1 A 29 29 TYR CA C 29 61.050 61.362 -0.312 1
1 335 . 13 1 1 A 29 29 TYR CB C 29 37.860 38.402 -0.542 1
1 340 . 13 1 1 A 29 29 TYR N N 29 119.155 121.860 -2.705 1
1 341 . 13 1 1 A 30 30 PHE H H 30 8.775 8.454 0.321 1
1 342 . 13 1 1 A 30 30 PHE HA H 30 4.619 4.153 0.466 1
1 349 . 13 1 1 A 30 30 PHE C C 30 178.612 177.799 0.813 1
1 350 . 13 1 1 A 30 30 PHE CA C 30 57.312 62.456 -5.144 1
1 351 . 13 1 1 A 30 30 PHE CB C 30 37.667 38.540 -0.873 1
1 356 . 13 1 1 A 30 30 PHE N N 30 118.969 118.804 0.165 1
1 357 . 13 1 1 A 31 31 LYS H H 31 8.977 8.846 0.131 1
1 358 . 13 1 1 A 31 31 LYS HA H 31 4.141 4.344 -0.203 1
1 363 . 13 1 1 A 31 31 LYS C C 31 178.781 179.180 -0.399 1
1 364 . 13 1 1 A 31 31 LYS CA C 31 59.878 59.640 0.238 1
1 365 . 13 1 1 A 31 31 LYS CB C 31 31.707 32.300 -0.593 1
1 367 . 13 1 1 A 31 31 LYS N N 31 121.474 120.731 0.743 1
1 368 . 13 1 1 A 32 32 LEU H H 32 7.215 7.732 -0.517 1
1 369 . 13 1 1 A 32 32 LEU HA H 32 4.179 4.055 0.124 1
1 376 . 13 1 1 A 32 32 LEU C C 32 180.639 179.367 1.272 1
1 377 . 13 1 1 A 32 32 LEU CA C 32 57.933 57.852 0.081 1
1 378 . 13 1 1 A 32 32 LEU CB C 32 41.283 41.489 -0.206 1
1 381 . 13 1 1 A 32 32 LEU N N 32 118.836 119.215 -0.379 1
1 382 . 13 1 1 A 33 33 ILE H H 33 7.397 7.656 -0.259 1
1 383 . 13 1 1 A 33 33 ILE HA H 33 3.896 3.865 0.031 1
1 388 . 13 1 1 A 33 33 ILE C C 33 178.546 177.716 0.830 1
1 389 . 13 1 1 A 33 33 ILE CA C 33 63.892 63.726 0.166 1
1 390 . 13 1 1 A 33 33 ILE CB C 33 37.582 37.749 -0.167 1
1 393 . 13 1 1 A 33 33 ILE N N 33 118.838 119.557 -0.719 1
1 394 . 13 1 1 A 34 34 ALA H H 34 8.593 8.529 0.064 1
1 395 . 13 1 1 A 34 34 ALA HA H 34 3.984 4.166 -0.182 1
1 399 . 13 1 1 A 34 34 ALA C C 34 179.571 180.539 -0.968 1
1 400 . 13 1 1 A 34 34 ALA CA C 34 55.141 55.558 -0.417 1
1 401 . 13 1 1 A 34 34 ALA CB C 34 18.671 18.732 -0.061 1
1 402 . 13 1 1 A 34 34 ALA N N 34 121.471 124.134 -2.663 1
1 403 . 13 1 1 A 35 35 ASN H H 35 8.503 8.164 0.339 1
1 404 . 13 1 1 A 35 35 ASN HA H 35 4.707 4.519 0.188 1
1 409 . 13 1 1 A 35 35 ASN C C 35 177.434 177.511 -0.077 1
1 410 . 13 1 1 A 35 35 ASN CA C 35 55.732 56.107 -0.375 1
1 411 . 13 1 1 A 35 35 ASN CB C 35 38.224 38.110 0.114 1
1 412 . 13 1 1 A 35 35 ASN N N 35 116.283 116.650 -0.367 1
1 414 . 13 1 1 A 36 36 ALA H H 36 7.610 7.327 0.283 1
1 415 . 13 1 1 A 36 36 ALA HA H 36 4.363 4.151 0.212 1
1 419 . 13 1 1 A 36 36 ALA C C 36 178.715 177.791 0.924 1
1 420 . 13 1 1 A 36 36 ALA CA C 36 54.004 53.955 0.049 1
1 421 . 13 1 1 A 36 36 ALA CB C 36 19.224 18.715 0.509 1
1 422 . 13 1 1 A 36 36 ALA N N 36 120.620 119.734 0.886 1
1 423 . 13 1 1 A 37 37 LYS H H 37 7.673 8.294 -0.621 1
1 424 . 13 1 1 A 37 37 LYS HA H 37 4.436 4.539 -0.103 1
1 431 . 13 1 1 A 37 37 LYS C C 37 175.876 175.893 -0.017 1
1 432 . 13 1 1 A 37 37 LYS CA C 37 56.284 55.513 0.771 1
1 433 . 13 1 1 A 37 37 LYS CB C 37 34.026 32.420 1.606 1
1 437 . 13 1 1 A 37 37 LYS N N 37 116.344 115.027 1.317 1
1 438 . 13 1 1 A 38 38 THR H H 38 8.122 8.023 0.099 1
1 439 . 13 1 1 A 38 38 THR HA H 38 4.409 4.532 -0.123 1
1 444 . 13 1 1 A 38 38 THR C C 38 172.766 174.906 -2.140 1
1 445 . 13 1 1 A 38 38 THR CA C 38 61.468 63.312 -1.844 1
1 446 . 13 1 1 A 38 38 THR CB C 38 69.124 70.537 -1.413 1
1 448 . 13 1 1 A 38 38 THR N N 38 113.585 113.146 0.439 1
1 449 . 13 1 1 A 39 39 VAL H H 39 8.254 8.171 0.083 1
1 450 . 13 1 1 A 39 39 VAL HA H 39 4.399 3.792 0.607 1
1 455 . 13 1 1 A 39 39 VAL C C 39 176.183 174.473 1.710 1
1 456 . 13 1 1 A 39 39 VAL CA C 39 62.431 63.295 -0.864 1
1 457 . 13 1 1 A 39 39 VAL CB C 39 32.795 30.406 2.389 1
1 459 . 13 1 1 A 39 39 VAL N N 39 120.756 120.661 0.095 1
1 460 . 13 1 1 A 40 40 GLU H H 40 8.732 7.845 0.887 1
1 461 . 13 1 1 A 40 40 GLU HA H 40 4.711 4.644 0.067 1
1 464 . 13 1 1 A 40 40 GLU C C 40 175.571 175.247 0.324 1
1 465 . 13 1 1 A 40 40 GLU CA C 40 55.569 56.161 -0.592 1
1 466 . 13 1 1 A 40 40 GLU CB C 40 30.469 32.647 -2.178 1
1 468 . 13 1 1 A 40 40 GLU N N 40 124.791 120.132 4.659 1
1 469 . 13 1 1 A 41 41 GLY H H 41 8.145 8.513 -0.368 1
1 470 . 13 1 1 A 41 41 GLY HA2 H 41 4.236 4.178 0.058 1
1 471 . 13 1 1 A 41 41 GLY HA3 H 41 3.589 4.191 -0.602 1
1 472 . 13 1 1 A 41 41 GLY C C 41 172.517 171.852 0.665 1
1 473 . 13 1 1 A 41 41 GLY CA C 41 45.203 45.368 -0.165 1
1 474 . 13 1 1 A 41 41 GLY N N 41 107.758 111.798 -4.040 1
1 475 . 13 1 1 A 42 42 VAL H H 42 8.490 8.505 -0.015 1
1 476 . 13 1 1 A 42 42 VAL HA H 42 4.525 4.706 -0.181 1
1 481 . 13 1 1 A 42 42 VAL C C 42 176.739 176.155 0.584 1
1 482 . 13 1 1 A 42 42 VAL CA C 42 62.354 61.911 0.443 1
1 483 . 13 1 1 A 42 42 VAL CB C 42 33.355 32.520 0.835 1
1 485 . 13 1 1 A 42 42 VAL N N 42 121.959 119.738 2.221 1
1 486 . 13 1 1 A 43 43 TRP H H 43 9.465 8.989 0.476 1
1 487 . 13 1 1 A 43 43 TRP HA H 43 5.375 5.136 0.239 1
1 495 . 13 1 1 A 43 43 TRP C C 43 177.127 176.470 0.657 1
1 496 . 13 1 1 A 43 43 TRP CA C 43 58.056 58.141 -0.085 1
1 497 . 13 1 1 A 43 43 TRP CB C 43 29.740 29.819 -0.079 1
1 502 . 13 1 1 A 43 43 TRP N N 43 130.804 128.975 1.829 1
1 504 . 13 1 1 A 44 44 THR H H 44 9.380 9.194 0.186 1
1 505 . 13 1 1 A 44 44 THR HA H 44 4.908 5.368 -0.460 1
1 510 . 13 1 1 A 44 44 THR C C 44 172.803 172.673 0.130 1
1 511 . 13 1 1 A 44 44 THR CA C 44 61.075 60.151 0.924 1
1 512 . 13 1 1 A 44 44 THR CB C 44 72.681 72.906 -0.225 1
1 514 . 13 1 1 A 44 44 THR N N 44 115.117 114.148 0.969 1
1 515 . 13 1 1 A 45 45 TYR H H 45 8.773 8.925 -0.152 1
1 516 . 13 1 1 A 45 45 TYR HA H 45 5.143 5.749 -0.606 1
1 521 . 13 1 1 A 45 45 TYR C C 45 174.047 173.410 0.637 1
1 522 . 13 1 1 A 45 45 TYR CA C 45 57.154 56.829 0.325 1
1 523 . 13 1 1 A 45 45 TYR CB C 45 41.212 42.511 -1.299 1
1 526 . 13 1 1 A 45 45 TYR N N 45 121.946 122.011 -0.065 1
1 527 . 13 1 1 A 46 46 LYS H H 46 7.505 8.827 -1.322 1
1 528 . 13 1 1 A 46 46 LYS HA H 46 4.457 4.451 0.006 1
1 533 . 13 1 1 A 46 46 LYS C C 46 175.444 173.869 1.575 1
1 534 . 13 1 1 A 46 46 LYS CA C 46 53.992 54.131 -0.139 1
1 535 . 13 1 1 A 46 46 LYS CB C 46 33.875 34.895 -1.020 1
1 539 . 13 1 1 A 46 46 LYS N N 46 128.658 126.292 2.366 1
1 540 . 13 1 1 A 47 47 ASP H H 47 8.807 8.566 0.241 1
1 541 . 13 1 1 A 47 47 ASP HA H 47 4.135 4.548 -0.413 1
1 544 . 13 1 1 A 47 47 ASP C C 47 179.380 175.652 3.728 1
1 545 . 13 1 1 A 47 47 ASP CA C 47 57.464 53.449 4.015 1
1 546 . 13 1 1 A 47 47 ASP CB C 47 42.288 41.283 1.005 1
1 547 . 13 1 1 A 47 47 ASP N N 47 126.643 124.622 2.021 1
1 548 . 13 1 1 A 48 48 GLU H H 48 9.909 8.562 1.347 1
1 549 . 13 1 1 A 48 48 GLU HA H 48 4.172 4.387 -0.215 1
1 554 . 13 1 1 A 48 48 GLU C C 48 177.317 176.157 1.160 1
1 555 . 13 1 1 A 48 48 GLU CA C 48 59.979 56.928 3.051 1
1 556 . 13 1 1 A 48 48 GLU CB C 48 28.699 31.133 -2.434 1
1 558 . 13 1 1 A 48 48 GLU N N 48 118.400 122.081 -3.681 1
1 559 . 13 1 1 A 49 49 ILE H H 49 6.510 7.839 -1.329 1
1 560 . 13 1 1 A 49 49 ILE HA H 49 4.697 4.195 0.502 1
1 568 . 13 1 1 A 49 49 ILE C C 49 175.868 175.326 0.542 1
1 569 . 13 1 1 A 49 49 ILE CA C 49 60.318 60.723 -0.405 1
1 570 . 13 1 1 A 49 49 ILE CB C 49 38.324 37.709 0.615 1
1 574 . 13 1 1 A 49 49 ILE N N 49 105.782 117.954 -12.172 1
1 575 . 13 1 1 A 50 50 LYS H H 50 7.991 7.791 0.200 1
1 576 . 13 1 1 A 50 50 LYS HA H 50 4.336 4.013 0.323 1
1 581 . 13 1 1 A 50 50 LYS C C 50 174.829 175.157 -0.328 1
1 582 . 13 1 1 A 50 50 LYS CA C 50 55.959 56.850 -0.891 1
1 583 . 13 1 1 A 50 50 LYS CB C 50 29.232 30.729 -1.497 1
1 585 . 13 1 1 A 50 50 LYS N N 50 124.329 118.908 5.421 1
1 586 . 13 1 1 A 51 51 THR H H 51 7.174 7.161 0.013 1
1 587 . 13 1 1 A 51 51 THR HA H 51 5.774 5.192 0.582 1
1 592 . 13 1 1 A 51 51 THR C C 51 173.893 172.873 1.020 1
1 593 . 13 1 1 A 51 51 THR CA C 51 62.217 59.691 2.526 1
1 594 . 13 1 1 A 51 51 THR CB C 51 73.248 71.939 1.309 1
1 596 . 13 1 1 A 51 51 THR N N 51 109.849 110.664 -0.815 1
1 597 . 13 1 1 A 52 52 PHE H H 52 10.338 9.687 0.651 1
1 598 . 13 1 1 A 52 52 PHE HA H 52 5.693 5.765 -0.072 1
1 605 . 13 1 1 A 52 52 PHE C C 52 174.361 174.926 -0.565 1
1 606 . 13 1 1 A 52 52 PHE CA C 52 57.260 55.978 1.282 1
1 607 . 13 1 1 A 52 52 PHE CB C 52 42.130 43.353 -1.223 1
1 612 . 13 1 1 A 52 52 PHE N N 52 130.662 119.786 10.876 1
1 613 . 13 1 1 A 53 53 THR H H 53 9.262 9.438 -0.176 1
1 614 . 13 1 1 A 53 53 THR HA H 53 5.288 5.074 0.214 1
1 619 . 13 1 1 A 53 53 THR C C 53 172.678 173.297 -0.619 1
1 620 . 13 1 1 A 53 53 THR CA C 53 61.511 61.047 0.464 1
1 621 . 13 1 1 A 53 53 THR CB C 53 70.861 72.126 -1.265 1
1 623 . 13 1 1 A 53 53 THR N N 53 118.205 114.281 3.924 1
1 624 . 13 1 1 A 54 54 VAL H H 54 8.628 9.234 -0.606 1
1 625 . 13 1 1 A 54 54 VAL HA H 54 4.599 4.966 -0.367 1
1 633 . 13 1 1 A 54 54 VAL C C 54 174.090 174.222 -0.132 1
1 634 . 13 1 1 A 54 54 VAL CA C 54 59.646 60.200 -0.554 1
1 635 . 13 1 1 A 54 54 VAL CB C 54 32.737 33.653 -0.916 1
1 637 . 13 1 1 A 54 54 VAL N N 54 125.183 122.708 2.475 1
1 638 . 13 1 1 A 55 55 THR H H 55 8.434 8.665 -0.231 1
1 639 . 13 1 1 A 55 55 THR HA H 55 4.951 4.745 0.206 1
1 644 . 13 1 1 A 55 55 THR C C 55 173.695 173.311 0.384 1
1 645 . 13 1 1 A 55 55 THR CA C 55 61.219 62.125 -0.906 1
1 646 . 13 1 1 A 55 55 THR CB C 55 71.454 69.688 1.766 1
1 648 . 13 1 1 A 55 55 THR N N 55 122.255 124.710 -2.455 1
1 9 . 14 1 1 A 2 2 THR H H 2 8.931 8.469 0.462 1
1 10 . 14 1 1 A 2 2 THR HA H 2 4.504 5.139 -0.635 1
1 15 . 14 1 1 A 2 2 THR C C 2 172.828 172.583 0.245 1
1 16 . 14 1 1 A 2 2 THR CA C 2 63.506 60.546 2.960 1
1 17 . 14 1 1 A 2 2 THR CB C 2 68.833 70.418 -1.585 1
1 19 . 14 1 1 A 2 2 THR N N 2 124.414 110.444 13.970 1
1 20 . 14 1 1 A 3 3 TYR H H 3 9.041 8.700 0.341 1
1 21 . 14 1 1 A 3 3 TYR HA H 3 5.453 5.330 0.123 1
1 26 . 14 1 1 A 3 3 TYR C C 3 174.672 176.335 -1.663 1
1 27 . 14 1 1 A 3 3 TYR CA C 3 57.886 58.069 -0.183 1
1 28 . 14 1 1 A 3 3 TYR CB C 3 42.295 39.899 2.396 1
1 31 . 14 1 1 A 3 3 TYR N N 3 127.469 127.157 0.312 1
1 32 . 14 1 1 A 4 4 LYS H H 4 9.046 8.660 0.386 1
1 33 . 14 1 1 A 4 4 LYS HA H 4 5.547 5.520 0.027 1
1 40 . 14 1 1 A 4 4 LYS C C 4 173.092 175.115 -2.023 1
1 41 . 14 1 1 A 4 4 LYS CA C 4 55.112 55.029 0.083 1
1 42 . 14 1 1 A 4 4 LYS CB C 4 35.889 36.297 -0.408 1
1 46 . 14 1 1 A 4 4 LYS N N 4 121.164 121.386 -0.222 1
1 47 . 14 1 1 A 5 5 LEU H H 5 9.017 9.467 -0.450 1
1 48 . 14 1 1 A 5 5 LEU HA H 5 5.095 5.440 -0.345 1
1 58 . 14 1 1 A 5 5 LEU C C 5 174.914 174.366 0.548 1
1 59 . 14 1 1 A 5 5 LEU CA C 5 52.648 53.786 -1.138 1
1 60 . 14 1 1 A 5 5 LEU CB C 5 43.729 44.740 -1.011 1
1 63 . 14 1 1 A 5 5 LEU N N 5 126.371 124.158 2.213 1
1 64 . 14 1 1 A 6 6 ILE H H 6 9.129 9.477 -0.348 1
1 65 . 14 1 1 A 6 6 ILE HA H 6 4.502 4.681 -0.179 1
1 70 . 14 1 1 A 6 6 ILE C C 6 174.654 174.740 -0.086 1
1 71 . 14 1 1 A 6 6 ILE CA C 6 60.366 60.218 0.148 1
1 72 . 14 1 1 A 6 6 ILE CB C 6 38.760 38.421 0.339 1
1 76 . 14 1 1 A 6 6 ILE N N 6 126.264 128.230 -1.966 1
1 77 . 14 1 1 A 7 7 LEU H H 7 8.956 9.092 -0.136 1
1 78 . 14 1 1 A 7 7 LEU HA H 7 4.570 5.149 -0.579 1
1 84 . 14 1 1 A 7 7 LEU C C 7 174.493 175.676 -1.183 1
1 85 . 14 1 1 A 7 7 LEU CA C 7 53.644 53.207 0.437 1
1 86 . 14 1 1 A 7 7 LEU CB C 7 41.339 43.458 -2.119 1
1 89 . 14 1 1 A 7 7 LEU N N 7 126.422 128.515 -2.093 1
1 90 . 14 1 1 A 8 8 ASN H H 8 9.065 8.940 0.125 1
1 91 . 14 1 1 A 8 8 ASN HA H 8 5.181 5.376 -0.195 1
1 96 . 14 1 1 A 8 8 ASN C C 8 174.434 174.762 -0.328 1
1 97 . 14 1 1 A 8 8 ASN CA C 8 51.851 51.982 -0.131 1
1 98 . 14 1 1 A 8 8 ASN CB C 8 37.869 40.430 -2.561 1
1 99 . 14 1 1 A 8 8 ASN N N 8 125.633 122.255 3.378 1
1 101 . 14 1 1 A 9 9 LEU H H 9 7.720 8.216 -0.496 1
1 102 . 14 1 1 A 9 9 LEU HA H 9 4.754 4.739 0.015 1
1 109 . 14 1 1 A 9 9 LEU C C 9 177.207 178.879 -1.672 1
1 110 . 14 1 1 A 9 9 LEU CA C 9 53.431 52.704 0.727 1
1 111 . 14 1 1 A 9 9 LEU CB C 9 41.451 43.833 -2.382 1
1 114 . 14 1 1 A 9 9 LEU N N 9 121.516 123.278 -1.762 1
1 115 . 14 1 1 A 10 10 LYS H H 10 9.251 8.558 0.693 1
1 116 . 14 1 1 A 10 10 LYS HA H 10 4.034 4.100 -0.066 1
1 123 . 14 1 1 A 10 10 LYS C C 10 179.205 176.114 3.091 1
1 124 . 14 1 1 A 10 10 LYS CA C 10 59.720 58.709 1.011 1
1 125 . 14 1 1 A 10 10 LYS CB C 10 31.834 31.952 -0.118 1
1 128 . 14 1 1 A 10 10 LYS N N 10 120.915 117.173 3.742 1
1 129 . 14 1 1 A 11 11 GLN H H 11 8.566 7.709 0.857 1
1 130 . 14 1 1 A 11 11 GLN HA H 11 4.447 4.690 -0.243 1
1 137 . 14 1 1 A 11 11 GLN C C 11 175.378 174.943 0.435 1
1 138 . 14 1 1 A 11 11 GLN CA C 11 56.019 55.085 0.934 1
1 139 . 14 1 1 A 11 11 GLN CB C 11 29.175 30.647 -1.472 1
1 141 . 14 1 1 A 11 11 GLN N N 11 113.391 118.431 -5.040 1
1 143 . 14 1 1 A 12 12 ALA H H 12 7.186 8.472 -1.286 1
1 144 . 14 1 1 A 12 12 ALA HA H 12 4.506 4.023 0.483 1
1 148 . 14 1 1 A 12 12 ALA C C 12 174.369 176.913 -2.544 1
1 149 . 14 1 1 A 12 12 ALA CA C 12 52.485 54.242 -1.757 1
1 150 . 14 1 1 A 12 12 ALA CB C 12 21.424 17.954 3.470 1
1 151 . 14 1 1 A 12 12 ALA N N 12 120.106 129.456 -9.350 1
1 152 . 14 1 1 A 13 13 LYS H H 13 8.298 8.484 -0.186 1
1 153 . 14 1 1 A 13 13 LYS HA H 13 5.392 5.060 0.332 1
1 158 . 14 1 1 A 13 13 LYS C C 13 176.285 174.272 2.013 1
1 159 . 14 1 1 A 13 13 LYS CA C 13 55.138 54.515 0.623 1
1 160 . 14 1 1 A 13 13 LYS CB C 13 33.656 36.325 -2.669 1
1 164 . 14 1 1 A 13 13 LYS N N 13 120.804 116.631 4.173 1
1 165 . 14 1 1 A 14 14 GLU H H 14 8.640 8.734 -0.094 1
1 166 . 14 1 1 A 14 14 GLU HA H 14 4.879 4.915 -0.036 1
1 171 . 14 1 1 A 14 14 GLU C C 14 174.032 174.973 -0.941 1
1 172 . 14 1 1 A 14 14 GLU CA C 14 54.909 54.531 0.378 1
1 173 . 14 1 1 A 14 14 GLU CB C 14 34.407 33.047 1.360 1
1 175 . 14 1 1 A 14 14 GLU N N 14 123.450 121.663 1.787 1
1 176 . 14 1 1 A 15 15 GLU H H 15 8.642 8.875 -0.233 1
1 177 . 14 1 1 A 15 15 GLU HA H 15 5.631 4.931 0.700 1
1 182 . 14 1 1 A 15 15 GLU C C 15 175.503 175.363 0.140 1
1 183 . 14 1 1 A 15 15 GLU CA C 15 54.638 54.840 -0.202 1
1 184 . 14 1 1 A 15 15 GLU CB C 15 34.147 31.390 2.757 1
1 186 . 14 1 1 A 15 15 GLU N N 15 120.056 123.967 -3.911 1
1 187 . 14 1 1 A 16 16 ALA H H 16 9.166 9.122 0.044 1
1 188 . 14 1 1 A 16 16 ALA HA H 16 4.981 5.502 -0.521 1
1 192 . 14 1 1 A 16 16 ALA C C 16 175.027 176.534 -1.507 1
1 193 . 14 1 1 A 16 16 ALA CA C 16 51.324 49.994 1.330 1
1 194 . 14 1 1 A 16 16 ALA CB C 16 22.552 21.428 1.124 1
1 195 . 14 1 1 A 16 16 ALA N N 16 124.648 127.602 -2.954 1
1 196 . 14 1 1 A 17 17 ILE H H 17 8.645 9.040 -0.395 1
1 197 . 14 1 1 A 17 17 ILE HA H 17 5.672 5.666 0.006 1
1 207 . 14 1 1 A 17 17 ILE C C 17 175.737 174.723 1.014 1
1 208 . 14 1 1 A 17 17 ILE CA C 17 59.733 58.883 0.850 1
1 209 . 14 1 1 A 17 17 ILE CB C 17 42.219 42.714 -0.495 1
1 213 . 14 1 1 A 17 17 ILE N N 17 116.684 117.559 -0.875 1
1 214 . 14 1 1 A 18 18 LYS H H 18 9.243 8.529 0.714 1
1 215 . 14 1 1 A 18 18 LYS HA H 18 4.548 4.645 -0.097 1
1 222 . 14 1 1 A 18 18 LYS C C 18 174.039 173.952 0.087 1
1 223 . 14 1 1 A 18 18 LYS CA C 18 54.956 55.606 -0.650 1
1 224 . 14 1 1 A 18 18 LYS CB C 18 37.101 36.507 0.594 1
1 228 . 14 1 1 A 18 18 LYS N N 18 123.578 122.019 1.559 1
1 229 . 14 1 1 A 19 19 GLU H H 19 8.812 8.470 0.342 1
1 230 . 14 1 1 A 19 19 GLU HA H 19 5.184 5.171 0.013 1
1 233 . 14 1 1 A 19 19 GLU C C 19 175.912 175.782 0.130 1
1 234 . 14 1 1 A 19 19 GLU CA C 19 55.340 55.205 0.135 1
1 235 . 14 1 1 A 19 19 GLU CB C 19 29.224 30.767 -1.543 1
1 237 . 14 1 1 A 19 19 GLU N N 19 129.720 124.619 5.101 1
1 238 . 14 1 1 A 20 20 ALA H H 20 9.425 8.369 1.056 1
1 239 . 14 1 1 A 20 20 ALA HA H 20 4.935 4.975 -0.040 1
1 243 . 14 1 1 A 20 20 ALA C C 20 177.376 178.180 -0.804 1
1 244 . 14 1 1 A 20 20 ALA CA C 20 51.128 50.954 0.174 1
1 245 . 14 1 1 A 20 20 ALA CB C 20 23.405 22.538 0.867 1
1 246 . 14 1 1 A 20 20 ALA N N 20 127.622 127.834 -0.212 1
1 247 . 14 1 1 A 21 21 VAL H H 21 8.620 8.628 -0.008 1
1 248 . 14 1 1 A 21 21 VAL HA H 21 4.262 3.844 0.418 1
1 253 . 14 1 1 A 21 21 VAL C C 21 175.539 175.800 -0.261 1
1 254 . 14 1 1 A 21 21 VAL CA C 21 63.598 65.057 -1.459 1
1 255 . 14 1 1 A 21 21 VAL CB C 21 31.839 31.691 0.148 1
1 257 . 14 1 1 A 21 21 VAL N N 21 115.529 120.616 -5.087 1
1 258 . 14 1 1 A 22 22 ASP H H 22 7.405 7.968 -0.563 1
1 259 . 14 1 1 A 22 22 ASP HA H 22 4.946 5.049 -0.103 1
1 262 . 14 1 1 A 22 22 ASP C C 22 174.734 176.344 -1.610 1
1 263 . 14 1 1 A 22 22 ASP CA C 22 52.601 51.747 0.854 1
1 264 . 14 1 1 A 22 22 ASP CB C 22 42.748 42.407 0.341 1
1 265 . 14 1 1 A 22 22 ASP N N 22 115.513 119.684 -4.171 1
1 266 . 14 1 1 A 23 23 ALA H H 23 8.614 8.461 0.153 1
1 267 . 14 1 1 A 23 23 ALA HA H 23 3.294 3.591 -0.297 1
1 271 . 14 1 1 A 23 23 ALA C C 23 179.849 179.287 0.562 1
1 272 . 14 1 1 A 23 23 ALA CA C 23 54.858 53.703 1.155 1
1 273 . 14 1 1 A 23 23 ALA CB C 23 17.424 19.311 -1.887 1
1 274 . 14 1 1 A 23 23 ALA N N 23 121.829 121.030 0.799 1
1 275 . 14 1 1 A 24 24 GLY H H 24 8.555 8.379 0.176 1
1 276 . 14 1 1 A 24 24 GLY HA2 H 24 3.851 3.817 0.034 1
1 277 . 14 1 1 A 24 24 GLY HA3 H 24 3.851 3.842 0.009 1
1 278 . 14 1 1 A 24 24 GLY C C 24 177.142 176.585 0.557 1
1 279 . 14 1 1 A 24 24 GLY CA C 24 46.839 46.817 0.022 1
1 280 . 14 1 1 A 24 24 GLY N N 24 106.435 106.272 0.163 1
1 281 . 14 1 1 A 25 25 THR H H 25 8.241 7.604 0.637 1
1 282 . 14 1 1 A 25 25 THR HA H 25 4.063 4.057 0.006 1
1 287 . 14 1 1 A 25 25 THR C C 25 177.054 176.020 1.034 1
1 288 . 14 1 1 A 25 25 THR CA C 25 66.635 65.269 1.366 1
1 289 . 14 1 1 A 25 25 THR CB C 25 68.068 68.624 -0.556 1
1 291 . 14 1 1 A 25 25 THR N N 25 119.981 117.619 2.362 1
1 292 . 14 1 1 A 26 26 ALA H H 26 7.100 7.942 -0.842 1
1 293 . 14 1 1 A 26 26 ALA HA H 26 3.364 3.658 -0.294 1
1 297 . 14 1 1 A 26 26 ALA C C 26 177.098 179.094 -1.996 1
1 298 . 14 1 1 A 26 26 ALA CA C 26 55.502 54.594 0.908 1
1 299 . 14 1 1 A 26 26 ALA CB C 26 17.127 17.337 -0.210 1
1 300 . 14 1 1 A 26 26 ALA N N 26 124.535 123.729 0.806 1
1 301 . 14 1 1 A 27 27 GLU H H 27 8.739 8.309 0.430 1
1 302 . 14 1 1 A 27 27 GLU HA H 27 2.941 3.835 -0.894 1
1 307 . 14 1 1 A 27 27 GLU C C 27 177.368 178.562 -1.194 1
1 308 . 14 1 1 A 27 27 GLU CA C 27 60.190 59.484 0.706 1
1 309 . 14 1 1 A 27 27 GLU CB C 27 29.225 28.928 0.297 1
1 311 . 14 1 1 A 27 27 GLU N N 27 118.116 118.372 -0.256 1
1 312 . 14 1 1 A 28 28 LYS H H 28 7.333 7.537 -0.204 1
1 313 . 14 1 1 A 28 28 LYS HA H 28 3.764 4.073 -0.309 1
1 320 . 14 1 1 A 28 28 LYS C C 28 178.993 178.485 0.508 1
1 321 . 14 1 1 A 28 28 LYS CA C 28 59.881 58.846 1.035 1
1 322 . 14 1 1 A 28 28 LYS CB C 28 32.382 32.057 0.325 1
1 324 . 14 1 1 A 28 28 LYS N N 28 116.088 118.415 -2.327 1
1 325 . 14 1 1 A 29 29 TYR H H 29 7.016 7.913 -0.897 1
1 326 . 14 1 1 A 29 29 TYR HA H 29 4.273 4.269 0.004 1
1 333 . 14 1 1 A 29 29 TYR C C 29 177.581 177.645 -0.064 1
1 334 . 14 1 1 A 29 29 TYR CA C 29 61.050 61.390 -0.340 1
1 335 . 14 1 1 A 29 29 TYR CB C 29 37.860 38.405 -0.545 1
1 340 . 14 1 1 A 29 29 TYR N N 29 119.155 121.758 -2.603 1
1 341 . 14 1 1 A 30 30 PHE H H 30 8.775 8.691 0.084 1
1 342 . 14 1 1 A 30 30 PHE HA H 30 4.619 4.174 0.445 1
1 349 . 14 1 1 A 30 30 PHE C C 30 178.612 177.876 0.736 1
1 350 . 14 1 1 A 30 30 PHE CA C 30 57.312 62.336 -5.024 1
1 351 . 14 1 1 A 30 30 PHE CB C 30 37.667 38.414 -0.747 1
1 356 . 14 1 1 A 30 30 PHE N N 30 118.969 119.087 -0.118 1
1 357 . 14 1 1 A 31 31 LYS H H 31 8.977 8.975 0.002 1
1 358 . 14 1 1 A 31 31 LYS HA H 31 4.141 4.350 -0.209 1
1 363 . 14 1 1 A 31 31 LYS C C 31 178.781 179.027 -0.246 1
1 364 . 14 1 1 A 31 31 LYS CA C 31 59.878 59.742 0.136 1
1 365 . 14 1 1 A 31 31 LYS CB C 31 31.707 32.366 -0.659 1
1 367 . 14 1 1 A 31 31 LYS N N 31 121.474 120.557 0.917 1
1 368 . 14 1 1 A 32 32 LEU H H 32 7.215 7.823 -0.608 1
1 369 . 14 1 1 A 32 32 LEU HA H 32 4.179 4.059 0.120 1
1 376 . 14 1 1 A 32 32 LEU C C 32 180.639 179.297 1.342 1
1 377 . 14 1 1 A 32 32 LEU CA C 32 57.933 57.818 0.115 1
1 378 . 14 1 1 A 32 32 LEU CB C 32 41.283 41.689 -0.406 1
1 381 . 14 1 1 A 32 32 LEU N N 32 118.836 119.197 -0.361 1
1 382 . 14 1 1 A 33 33 ILE H H 33 7.397 7.540 -0.143 1
1 383 . 14 1 1 A 33 33 ILE HA H 33 3.896 3.883 0.013 1
1 388 . 14 1 1 A 33 33 ILE C C 33 178.546 177.819 0.727 1
1 389 . 14 1 1 A 33 33 ILE CA C 33 63.892 63.597 0.295 1
1 390 . 14 1 1 A 33 33 ILE CB C 33 37.582 38.002 -0.420 1
1 393 . 14 1 1 A 33 33 ILE N N 33 118.838 119.797 -0.959 1
1 394 . 14 1 1 A 34 34 ALA H H 34 8.593 9.052 -0.459 1
1 395 . 14 1 1 A 34 34 ALA HA H 34 3.984 3.987 -0.003 1
1 399 . 14 1 1 A 34 34 ALA C C 34 179.571 180.470 -0.899 1
1 400 . 14 1 1 A 34 34 ALA CA C 34 55.141 55.655 -0.514 1
1 401 . 14 1 1 A 34 34 ALA CB C 34 18.671 18.462 0.209 1
1 402 . 14 1 1 A 34 34 ALA N N 34 121.471 124.007 -2.536 1
1 403 . 14 1 1 A 35 35 ASN H H 35 8.503 8.348 0.155 1
1 404 . 14 1 1 A 35 35 ASN HA H 35 4.707 4.851 -0.144 1
1 409 . 14 1 1 A 35 35 ASN C C 35 177.434 177.869 -0.435 1
1 410 . 14 1 1 A 35 35 ASN CA C 35 55.732 55.983 -0.251 1
1 411 . 14 1 1 A 35 35 ASN CB C 35 38.224 37.721 0.503 1
1 412 . 14 1 1 A 35 35 ASN N N 35 116.283 116.590 -0.307 1
1 414 . 14 1 1 A 36 36 ALA H H 36 7.610 7.667 -0.057 1
1 415 . 14 1 1 A 36 36 ALA HA H 36 4.363 4.079 0.284 1
1 419 . 14 1 1 A 36 36 ALA C C 36 178.715 179.089 -0.374 1
1 420 . 14 1 1 A 36 36 ALA CA C 36 54.004 55.356 -1.352 1
1 421 . 14 1 1 A 36 36 ALA CB C 36 19.224 18.551 0.673 1
1 422 . 14 1 1 A 36 36 ALA N N 36 120.620 122.628 -2.008 1
1 423 . 14 1 1 A 37 37 LYS H H 37 7.673 8.034 -0.361 1
1 424 . 14 1 1 A 37 37 LYS HA H 37 4.436 4.325 0.111 1
1 431 . 14 1 1 A 37 37 LYS C C 37 175.876 175.539 0.337 1
1 432 . 14 1 1 A 37 37 LYS CA C 37 56.284 56.681 -0.397 1
1 433 . 14 1 1 A 37 37 LYS CB C 37 34.026 32.137 1.889 1
1 437 . 14 1 1 A 37 37 LYS N N 37 116.344 112.723 3.621 1
1 438 . 14 1 1 A 38 38 THR H H 38 8.122 7.521 0.601 1
1 439 . 14 1 1 A 38 38 THR HA H 38 4.409 4.930 -0.521 1
1 444 . 14 1 1 A 38 38 THR C C 38 172.766 173.537 -0.771 1
1 445 . 14 1 1 A 38 38 THR CA C 38 61.468 61.123 0.345 1
1 446 . 14 1 1 A 38 38 THR CB C 38 69.124 72.912 -3.788 1
1 448 . 14 1 1 A 38 38 THR N N 38 113.585 112.982 0.603 1
1 449 . 14 1 1 A 39 39 VAL H H 39 8.254 8.470 -0.216 1
1 450 . 14 1 1 A 39 39 VAL HA H 39 4.399 4.460 -0.061 1
1 455 . 14 1 1 A 39 39 VAL C C 39 176.183 174.541 1.642 1
1 456 . 14 1 1 A 39 39 VAL CA C 39 62.431 61.155 1.276 1
1 457 . 14 1 1 A 39 39 VAL CB C 39 32.795 32.420 0.375 1
1 459 . 14 1 1 A 39 39 VAL N N 39 120.756 124.930 -4.174 1
1 460 . 14 1 1 A 40 40 GLU H H 40 8.732 7.683 1.049 1
1 461 . 14 1 1 A 40 40 GLU HA H 40 4.711 4.723 -0.012 1
1 464 . 14 1 1 A 40 40 GLU C C 40 175.571 175.241 0.330 1
1 465 . 14 1 1 A 40 40 GLU CA C 40 55.569 56.147 -0.578 1
1 466 . 14 1 1 A 40 40 GLU CB C 40 30.469 32.911 -2.442 1
1 468 . 14 1 1 A 40 40 GLU N N 40 124.791 121.757 3.034 1
1 469 . 14 1 1 A 41 41 GLY H H 41 8.145 8.498 -0.353 1
1 470 . 14 1 1 A 41 41 GLY HA2 H 41 4.236 4.139 0.097 1
1 471 . 14 1 1 A 41 41 GLY HA3 H 41 3.589 4.156 -0.567 1
1 472 . 14 1 1 A 41 41 GLY C C 41 172.517 172.774 -0.257 1
1 473 . 14 1 1 A 41 41 GLY CA C 41 45.203 45.846 -0.643 1
1 474 . 14 1 1 A 41 41 GLY N N 41 107.758 112.178 -4.420 1
1 475 . 14 1 1 A 42 42 VAL H H 42 8.490 9.185 -0.695 1
1 476 . 14 1 1 A 42 42 VAL HA H 42 4.525 5.058 -0.533 1
1 481 . 14 1 1 A 42 42 VAL C C 42 176.739 174.919 1.820 1
1 482 . 14 1 1 A 42 42 VAL CA C 42 62.354 60.598 1.756 1
1 483 . 14 1 1 A 42 42 VAL CB C 42 33.355 33.370 -0.015 1
1 485 . 14 1 1 A 42 42 VAL N N 42 121.959 115.336 6.623 1
1 486 . 14 1 1 A 43 43 TRP H H 43 9.465 9.061 0.404 1
1 487 . 14 1 1 A 43 43 TRP HA H 43 5.375 5.221 0.154 1
1 495 . 14 1 1 A 43 43 TRP C C 43 177.127 176.563 0.564 1
1 496 . 14 1 1 A 43 43 TRP CA C 43 58.056 57.693 0.363 1
1 497 . 14 1 1 A 43 43 TRP CB C 43 29.740 30.814 -1.074 1
1 502 . 14 1 1 A 43 43 TRP N N 43 130.804 128.439 2.365 1
1 504 . 14 1 1 A 44 44 THR H H 44 9.380 8.594 0.786 1
1 505 . 14 1 1 A 44 44 THR HA H 44 4.908 5.354 -0.446 1
1 510 . 14 1 1 A 44 44 THR C C 44 172.803 172.684 0.119 1
1 511 . 14 1 1 A 44 44 THR CA C 44 61.075 60.727 0.348 1
1 512 . 14 1 1 A 44 44 THR CB C 44 72.681 72.309 0.372 1
1 514 . 14 1 1 A 44 44 THR N N 44 115.117 113.797 1.320 1
1 515 . 14 1 1 A 45 45 TYR H H 45 8.773 8.958 -0.185 1
1 516 . 14 1 1 A 45 45 TYR HA H 45 5.143 5.566 -0.423 1
1 521 . 14 1 1 A 45 45 TYR C C 45 174.047 173.670 0.377 1
1 522 . 14 1 1 A 45 45 TYR CA C 45 57.154 57.100 0.054 1
1 523 . 14 1 1 A 45 45 TYR CB C 45 41.212 42.314 -1.102 1
1 526 . 14 1 1 A 45 45 TYR N N 45 121.946 122.839 -0.893 1
1 527 . 14 1 1 A 46 46 LYS H H 46 7.505 8.748 -1.243 1
1 528 . 14 1 1 A 46 46 LYS HA H 46 4.457 4.507 -0.050 1
1 533 . 14 1 1 A 46 46 LYS C C 46 175.444 174.065 1.379 1
1 534 . 14 1 1 A 46 46 LYS CA C 46 53.992 54.159 -0.167 1
1 535 . 14 1 1 A 46 46 LYS CB C 46 33.875 34.616 -0.741 1
1 539 . 14 1 1 A 46 46 LYS N N 46 128.658 126.630 2.028 1
1 540 . 14 1 1 A 47 47 ASP H H 47 8.807 8.586 0.221 1
1 541 . 14 1 1 A 47 47 ASP HA H 47 4.135 4.582 -0.447 1
1 544 . 14 1 1 A 47 47 ASP C C 47 179.380 175.617 3.763 1
1 545 . 14 1 1 A 47 47 ASP CA C 47 57.464 53.460 4.004 1
1 546 . 14 1 1 A 47 47 ASP CB C 47 42.288 41.344 0.944 1
1 547 . 14 1 1 A 47 47 ASP N N 47 126.643 124.386 2.257 1
1 548 . 14 1 1 A 48 48 GLU H H 48 9.909 8.568 1.341 1
1 549 . 14 1 1 A 48 48 GLU HA H 48 4.172 4.396 -0.224 1
1 554 . 14 1 1 A 48 48 GLU C C 48 177.317 176.085 1.232 1
1 555 . 14 1 1 A 48 48 GLU CA C 48 59.979 56.919 3.060 1
1 556 . 14 1 1 A 48 48 GLU CB C 48 28.699 31.149 -2.450 1
1 558 . 14 1 1 A 48 48 GLU N N 48 118.400 122.076 -3.676 1
1 559 . 14 1 1 A 49 49 ILE H H 49 6.510 7.928 -1.418 1
1 560 . 14 1 1 A 49 49 ILE HA H 49 4.697 4.352 0.345 1
1 568 . 14 1 1 A 49 49 ILE C C 49 175.868 175.295 0.573 1
1 569 . 14 1 1 A 49 49 ILE CA C 49 60.318 59.834 0.484 1
1 570 . 14 1 1 A 49 49 ILE CB C 49 38.324 37.418 0.906 1
1 574 . 14 1 1 A 49 49 ILE N N 49 105.782 116.115 -10.333 1
1 575 . 14 1 1 A 50 50 LYS H H 50 7.991 7.860 0.131 1
1 576 . 14 1 1 A 50 50 LYS HA H 50 4.336 4.133 0.203 1
1 581 . 14 1 1 A 50 50 LYS C C 50 174.829 174.902 -0.073 1
1 582 . 14 1 1 A 50 50 LYS CA C 50 55.959 56.790 -0.831 1
1 583 . 14 1 1 A 50 50 LYS CB C 50 29.232 30.941 -1.709 1
1 585 . 14 1 1 A 50 50 LYS N N 50 124.329 117.266 7.063 1
1 586 . 14 1 1 A 51 51 THR H H 51 7.174 7.109 0.065 1
1 587 . 14 1 1 A 51 51 THR HA H 51 5.774 5.345 0.429 1
1 592 . 14 1 1 A 51 51 THR C C 51 173.893 172.063 1.830 1
1 593 . 14 1 1 A 51 51 THR CA C 51 62.217 59.928 2.289 1
1 594 . 14 1 1 A 51 51 THR CB C 51 73.248 71.610 1.638 1
1 596 . 14 1 1 A 51 51 THR N N 51 109.849 114.947 -5.098 1
1 597 . 14 1 1 A 52 52 PHE H H 52 10.338 10.005 0.333 1
1 598 . 14 1 1 A 52 52 PHE HA H 52 5.693 5.906 -0.213 1
1 605 . 14 1 1 A 52 52 PHE C C 52 174.361 175.022 -0.661 1
1 606 . 14 1 1 A 52 52 PHE CA C 52 57.260 56.087 1.173 1
1 607 . 14 1 1 A 52 52 PHE CB C 52 42.130 43.670 -1.540 1
1 612 . 14 1 1 A 52 52 PHE N N 52 130.662 125.261 5.401 1
1 613 . 14 1 1 A 53 53 THR H H 53 9.262 9.537 -0.275 1
1 614 . 14 1 1 A 53 53 THR HA H 53 5.288 4.987 0.301 1
1 619 . 14 1 1 A 53 53 THR C C 53 172.678 173.270 -0.592 1
1 620 . 14 1 1 A 53 53 THR CA C 53 61.511 61.267 0.244 1
1 621 . 14 1 1 A 53 53 THR CB C 53 70.861 72.304 -1.443 1
1 623 . 14 1 1 A 53 53 THR N N 53 118.205 115.125 3.080 1
1 624 . 14 1 1 A 54 54 VAL H H 54 8.628 9.004 -0.376 1
1 625 . 14 1 1 A 54 54 VAL HA H 54 4.599 5.048 -0.449 1
1 633 . 14 1 1 A 54 54 VAL C C 54 174.090 174.282 -0.192 1
1 634 . 14 1 1 A 54 54 VAL CA C 54 59.646 59.987 -0.341 1
1 635 . 14 1 1 A 54 54 VAL CB C 54 32.737 33.751 -1.014 1
1 637 . 14 1 1 A 54 54 VAL N N 54 125.183 123.493 1.690 1
1 638 . 14 1 1 A 55 55 THR H H 55 8.434 8.630 -0.196 1
1 639 . 14 1 1 A 55 55 THR HA H 55 4.951 4.963 -0.012 1
1 644 . 14 1 1 A 55 55 THR C C 55 173.695 173.032 0.663 1
1 645 . 14 1 1 A 55 55 THR CA C 55 61.219 61.258 -0.039 1
1 646 . 14 1 1 A 55 55 THR CB C 55 71.454 70.605 0.849 1
1 648 . 14 1 1 A 55 55 THR N N 55 122.255 124.287 -2.032 1
1 9 . 15 1 1 A 2 2 THR H H 2 8.931 8.572 0.359 1
1 10 . 15 1 1 A 2 2 THR HA H 2 4.504 4.897 -0.393 1
1 15 . 15 1 1 A 2 2 THR C C 2 172.828 173.564 -0.736 1
1 16 . 15 1 1 A 2 2 THR CA C 2 63.506 60.802 2.704 1
1 17 . 15 1 1 A 2 2 THR CB C 2 68.833 69.911 -1.078 1
1 19 . 15 1 1 A 2 2 THR N N 2 124.414 118.949 5.465 1
1 20 . 15 1 1 A 3 3 TYR H H 3 9.041 9.282 -0.241 1
1 21 . 15 1 1 A 3 3 TYR HA H 3 5.453 5.683 -0.230 1
1 26 . 15 1 1 A 3 3 TYR C C 3 174.672 175.345 -0.673 1
1 27 . 15 1 1 A 3 3 TYR CA C 3 57.886 57.016 0.870 1
1 28 . 15 1 1 A 3 3 TYR CB C 3 42.295 41.698 0.597 1
1 31 . 15 1 1 A 3 3 TYR N N 3 127.469 123.754 3.715 1
1 32 . 15 1 1 A 4 4 LYS H H 4 9.046 8.613 0.433 1
1 33 . 15 1 1 A 4 4 LYS HA H 4 5.547 5.581 -0.034 1
1 40 . 15 1 1 A 4 4 LYS C C 4 173.092 174.917 -1.825 1
1 41 . 15 1 1 A 4 4 LYS CA C 4 55.112 54.933 0.179 1
1 42 . 15 1 1 A 4 4 LYS CB C 4 35.889 36.596 -0.707 1
1 46 . 15 1 1 A 4 4 LYS N N 4 121.164 121.280 -0.116 1
1 47 . 15 1 1 A 5 5 LEU H H 5 9.017 9.631 -0.614 1
1 48 . 15 1 1 A 5 5 LEU HA H 5 5.095 5.556 -0.461 1
1 58 . 15 1 1 A 5 5 LEU C C 5 174.914 174.339 0.575 1
1 59 . 15 1 1 A 5 5 LEU CA C 5 52.648 53.271 -0.623 1
1 60 . 15 1 1 A 5 5 LEU CB C 5 43.729 45.199 -1.470 1
1 63 . 15 1 1 A 5 5 LEU N N 5 126.371 123.697 2.674 1
1 64 . 15 1 1 A 6 6 ILE H H 6 9.129 9.139 -0.010 1
1 65 . 15 1 1 A 6 6 ILE HA H 6 4.502 4.645 -0.143 1
1 70 . 15 1 1 A 6 6 ILE C C 6 174.654 174.581 0.073 1
1 71 . 15 1 1 A 6 6 ILE CA C 6 60.366 60.454 -0.088 1
1 72 . 15 1 1 A 6 6 ILE CB C 6 38.760 38.767 -0.007 1
1 76 . 15 1 1 A 6 6 ILE N N 6 126.264 126.831 -0.567 1
1 77 . 15 1 1 A 7 7 LEU H H 7 8.956 8.999 -0.043 1
1 78 . 15 1 1 A 7 7 LEU HA H 7 4.570 4.994 -0.424 1
1 84 . 15 1 1 A 7 7 LEU C C 7 174.493 175.488 -0.995 1
1 85 . 15 1 1 A 7 7 LEU CA C 7 53.644 53.263 0.381 1
1 86 . 15 1 1 A 7 7 LEU CB C 7 41.339 43.332 -1.993 1
1 89 . 15 1 1 A 7 7 LEU N N 7 126.422 128.455 -2.033 1
1 90 . 15 1 1 A 8 8 ASN H H 8 9.065 8.954 0.111 1
1 91 . 15 1 1 A 8 8 ASN HA H 8 5.181 5.255 -0.074 1
1 96 . 15 1 1 A 8 8 ASN C C 8 174.434 174.065 0.369 1
1 97 . 15 1 1 A 8 8 ASN CA C 8 51.851 52.079 -0.228 1
1 98 . 15 1 1 A 8 8 ASN CB C 8 37.869 40.460 -2.591 1
1 99 . 15 1 1 A 8 8 ASN N N 8 125.633 124.059 1.574 1
1 101 . 15 1 1 A 9 9 LEU H H 9 7.720 8.755 -1.035 1
1 102 . 15 1 1 A 9 9 LEU HA H 9 4.754 5.063 -0.309 1
1 109 . 15 1 1 A 9 9 LEU C C 9 177.207 176.206 1.001 1
1 110 . 15 1 1 A 9 9 LEU CA C 9 53.431 52.371 1.060 1
1 111 . 15 1 1 A 9 9 LEU CB C 9 41.451 45.025 -3.574 1
1 114 . 15 1 1 A 9 9 LEU N N 9 121.516 122.791 -1.275 1
1 115 . 15 1 1 A 10 10 LYS H H 10 9.251 8.541 0.710 1
1 116 . 15 1 1 A 10 10 LYS HA H 10 4.034 4.402 -0.368 1
1 123 . 15 1 1 A 10 10 LYS C C 10 179.205 175.355 3.850 1
1 124 . 15 1 1 A 10 10 LYS CA C 10 59.720 56.443 3.277 1
1 125 . 15 1 1 A 10 10 LYS CB C 10 31.834 31.173 0.661 1
1 128 . 15 1 1 A 10 10 LYS N N 10 120.915 116.637 4.278 1
1 129 . 15 1 1 A 11 11 GLN H H 11 8.566 7.767 0.799 1
1 130 . 15 1 1 A 11 11 GLN HA H 11 4.447 4.405 0.042 1
1 137 . 15 1 1 A 11 11 GLN C C 11 175.378 174.655 0.723 1
1 138 . 15 1 1 A 11 11 GLN CA C 11 56.019 55.622 0.397 1
1 139 . 15 1 1 A 11 11 GLN CB C 11 29.175 28.961 0.214 1
1 141 . 15 1 1 A 11 11 GLN N N 11 113.391 120.142 -6.751 1
1 143 . 15 1 1 A 12 12 ALA H H 12 7.186 8.305 -1.119 1
1 144 . 15 1 1 A 12 12 ALA HA H 12 4.506 4.134 0.372 1
1 148 . 15 1 1 A 12 12 ALA C C 12 174.369 177.494 -3.125 1
1 149 . 15 1 1 A 12 12 ALA CA C 12 52.485 53.692 -1.207 1
1 150 . 15 1 1 A 12 12 ALA CB C 12 21.424 18.313 3.111 1
1 151 . 15 1 1 A 12 12 ALA N N 12 120.106 128.075 -7.969 1
1 152 . 15 1 1 A 13 13 LYS H H 13 8.298 8.556 -0.258 1
1 153 . 15 1 1 A 13 13 LYS HA H 13 5.392 4.692 0.700 1
1 158 . 15 1 1 A 13 13 LYS C C 13 176.285 175.285 1.000 1
1 159 . 15 1 1 A 13 13 LYS CA C 13 55.138 55.957 -0.819 1
1 160 . 15 1 1 A 13 13 LYS CB C 13 33.656 33.144 0.512 1
1 164 . 15 1 1 A 13 13 LYS N N 13 120.804 120.488 0.316 1
1 165 . 15 1 1 A 14 14 GLU H H 14 8.640 8.359 0.281 1
1 166 . 15 1 1 A 14 14 GLU HA H 14 4.879 5.122 -0.243 1
1 171 . 15 1 1 A 14 14 GLU C C 14 174.032 175.001 -0.969 1
1 172 . 15 1 1 A 14 14 GLU CA C 14 54.909 54.485 0.424 1
1 173 . 15 1 1 A 14 14 GLU CB C 14 34.407 33.483 0.924 1
1 175 . 15 1 1 A 14 14 GLU N N 14 123.450 120.545 2.905 1
1 176 . 15 1 1 A 15 15 GLU H H 15 8.642 8.979 -0.337 1
1 177 . 15 1 1 A 15 15 GLU HA H 15 5.631 5.053 0.578 1
1 182 . 15 1 1 A 15 15 GLU C C 15 175.503 175.410 0.093 1
1 183 . 15 1 1 A 15 15 GLU CA C 15 54.638 54.812 -0.174 1
1 184 . 15 1 1 A 15 15 GLU CB C 15 34.147 32.001 2.146 1
1 186 . 15 1 1 A 15 15 GLU N N 15 120.056 123.694 -3.638 1
1 187 . 15 1 1 A 16 16 ALA H H 16 9.166 9.191 -0.025 1
1 188 . 15 1 1 A 16 16 ALA HA H 16 4.981 5.690 -0.709 1
1 192 . 15 1 1 A 16 16 ALA C C 16 175.027 176.452 -1.425 1
1 193 . 15 1 1 A 16 16 ALA CA C 16 51.324 50.031 1.293 1
1 194 . 15 1 1 A 16 16 ALA CB C 16 22.552 22.845 -0.293 1
1 195 . 15 1 1 A 16 16 ALA N N 16 124.648 126.740 -2.092 1
1 196 . 15 1 1 A 17 17 ILE H H 17 8.645 9.137 -0.492 1
1 197 . 15 1 1 A 17 17 ILE HA H 17 5.672 5.526 0.146 1
1 207 . 15 1 1 A 17 17 ILE C C 17 175.737 174.487 1.250 1
1 208 . 15 1 1 A 17 17 ILE CA C 17 59.733 59.140 0.593 1
1 209 . 15 1 1 A 17 17 ILE CB C 17 42.219 42.789 -0.570 1
1 213 . 15 1 1 A 17 17 ILE N N 17 116.684 117.378 -0.694 1
1 214 . 15 1 1 A 18 18 LYS H H 18 9.243 8.678 0.565 1
1 215 . 15 1 1 A 18 18 LYS HA H 18 4.548 4.643 -0.095 1
1 222 . 15 1 1 A 18 18 LYS C C 18 174.039 173.761 0.278 1
1 223 . 15 1 1 A 18 18 LYS CA C 18 54.956 55.827 -0.871 1
1 224 . 15 1 1 A 18 18 LYS CB C 18 37.101 36.286 0.815 1
1 228 . 15 1 1 A 18 18 LYS N N 18 123.578 122.395 1.183 1
1 229 . 15 1 1 A 19 19 GLU H H 19 8.812 8.767 0.045 1
1 230 . 15 1 1 A 19 19 GLU HA H 19 5.184 5.021 0.163 1
1 233 . 15 1 1 A 19 19 GLU C C 19 175.912 175.576 0.336 1
1 234 . 15 1 1 A 19 19 GLU CA C 19 55.340 55.553 -0.213 1
1 235 . 15 1 1 A 19 19 GLU CB C 19 29.224 30.742 -1.518 1
1 237 . 15 1 1 A 19 19 GLU N N 19 129.720 123.976 5.744 1
1 238 . 15 1 1 A 20 20 ALA H H 20 9.425 8.376 1.049 1
1 239 . 15 1 1 A 20 20 ALA HA H 20 4.935 4.881 0.054 1
1 243 . 15 1 1 A 20 20 ALA C C 20 177.376 178.029 -0.653 1
1 244 . 15 1 1 A 20 20 ALA CA C 20 51.128 50.516 0.612 1
1 245 . 15 1 1 A 20 20 ALA CB C 20 23.405 22.564 0.841 1
1 246 . 15 1 1 A 20 20 ALA N N 20 127.622 125.412 2.210 1
1 247 . 15 1 1 A 21 21 VAL H H 21 8.620 8.423 0.197 1
1 248 . 15 1 1 A 21 21 VAL HA H 21 4.262 3.950 0.312 1
1 253 . 15 1 1 A 21 21 VAL C C 21 175.539 175.326 0.213 1
1 254 . 15 1 1 A 21 21 VAL CA C 21 63.598 65.122 -1.524 1
1 255 . 15 1 1 A 21 21 VAL CB C 21 31.839 31.936 -0.097 1
1 257 . 15 1 1 A 21 21 VAL N N 21 115.529 119.962 -4.433 1
1 258 . 15 1 1 A 22 22 ASP H H 22 7.405 8.037 -0.632 1
1 259 . 15 1 1 A 22 22 ASP HA H 22 4.946 5.033 -0.087 1
1 262 . 15 1 1 A 22 22 ASP C C 22 174.734 176.388 -1.654 1
1 263 . 15 1 1 A 22 22 ASP CA C 22 52.601 51.859 0.742 1
1 264 . 15 1 1 A 22 22 ASP CB C 22 42.748 42.138 0.610 1
1 265 . 15 1 1 A 22 22 ASP N N 22 115.513 117.508 -1.995 1
1 266 . 15 1 1 A 23 23 ALA H H 23 8.614 8.182 0.432 1
1 267 . 15 1 1 A 23 23 ALA HA H 23 3.294 3.701 -0.407 1
1 271 . 15 1 1 A 23 23 ALA C C 23 179.849 179.107 0.742 1
1 272 . 15 1 1 A 23 23 ALA CA C 23 54.858 52.817 2.041 1
1 273 . 15 1 1 A 23 23 ALA CB C 23 17.424 19.531 -2.107 1
1 274 . 15 1 1 A 23 23 ALA N N 23 121.829 120.976 0.853 1
1 275 . 15 1 1 A 24 24 GLY H H 24 8.555 8.445 0.110 1
1 276 . 15 1 1 A 24 24 GLY HA2 H 24 3.851 3.860 -0.009 1
1 277 . 15 1 1 A 24 24 GLY HA3 H 24 3.851 3.880 -0.029 1
1 278 . 15 1 1 A 24 24 GLY C C 24 177.142 176.417 0.725 1
1 279 . 15 1 1 A 24 24 GLY CA C 24 46.839 46.839 0.000 1
1 280 . 15 1 1 A 24 24 GLY N N 24 106.435 106.433 0.002 1
1 281 . 15 1 1 A 25 25 THR H H 25 8.241 7.858 0.383 1
1 282 . 15 1 1 A 25 25 THR HA H 25 4.063 4.029 0.034 1
1 287 . 15 1 1 A 25 25 THR C C 25 177.054 175.777 1.277 1
1 288 . 15 1 1 A 25 25 THR CA C 25 66.635 65.084 1.551 1
1 289 . 15 1 1 A 25 25 THR CB C 25 68.068 68.724 -0.656 1
1 291 . 15 1 1 A 25 25 THR N N 25 119.981 117.633 2.348 1
1 292 . 15 1 1 A 26 26 ALA H H 26 7.100 8.035 -0.935 1
1 293 . 15 1 1 A 26 26 ALA HA H 26 3.364 3.500 -0.136 1
1 297 . 15 1 1 A 26 26 ALA C C 26 177.098 178.890 -1.792 1
1 298 . 15 1 1 A 26 26 ALA CA C 26 55.502 54.657 0.845 1
1 299 . 15 1 1 A 26 26 ALA CB C 26 17.127 17.472 -0.345 1
1 300 . 15 1 1 A 26 26 ALA N N 26 124.535 123.715 0.820 1
1 301 . 15 1 1 A 27 27 GLU H H 27 8.739 7.847 0.892 1
1 302 . 15 1 1 A 27 27 GLU HA H 27 2.941 3.814 -0.873 1
1 307 . 15 1 1 A 27 27 GLU C C 27 177.368 178.640 -1.272 1
1 308 . 15 1 1 A 27 27 GLU CA C 27 60.190 59.562 0.628 1
1 309 . 15 1 1 A 27 27 GLU CB C 27 29.225 29.054 0.171 1
1 311 . 15 1 1 A 27 27 GLU N N 27 118.116 118.588 -0.472 1
1 312 . 15 1 1 A 28 28 LYS H H 28 7.333 7.478 -0.145 1
1 313 . 15 1 1 A 28 28 LYS HA H 28 3.764 4.040 -0.276 1
1 320 . 15 1 1 A 28 28 LYS C C 28 178.993 178.517 0.476 1
1 321 . 15 1 1 A 28 28 LYS CA C 28 59.881 58.880 1.001 1
1 322 . 15 1 1 A 28 28 LYS CB C 28 32.382 32.090 0.292 1
1 324 . 15 1 1 A 28 28 LYS N N 28 116.088 118.743 -2.655 1
1 325 . 15 1 1 A 29 29 TYR H H 29 7.016 7.902 -0.886 1
1 326 . 15 1 1 A 29 29 TYR HA H 29 4.273 4.158 0.115 1
1 333 . 15 1 1 A 29 29 TYR C C 29 177.581 177.560 0.021 1
1 334 . 15 1 1 A 29 29 TYR CA C 29 61.050 61.738 -0.688 1
1 335 . 15 1 1 A 29 29 TYR CB C 29 37.860 38.497 -0.637 1
1 340 . 15 1 1 A 29 29 TYR N N 29 119.155 120.960 -1.805 1
1 341 . 15 1 1 A 30 30 PHE H H 30 8.775 8.260 0.515 1
1 342 . 15 1 1 A 30 30 PHE HA H 30 4.619 4.116 0.503 1
1 349 . 15 1 1 A 30 30 PHE C C 30 178.612 177.814 0.798 1
1 350 . 15 1 1 A 30 30 PHE CA C 30 57.312 62.477 -5.165 1
1 351 . 15 1 1 A 30 30 PHE CB C 30 37.667 38.507 -0.840 1
1 356 . 15 1 1 A 30 30 PHE N N 30 118.969 118.529 0.440 1
1 357 . 15 1 1 A 31 31 LYS H H 31 8.977 8.761 0.216 1
1 358 . 15 1 1 A 31 31 LYS HA H 31 4.141 4.342 -0.201 1
1 363 . 15 1 1 A 31 31 LYS C C 31 178.781 179.218 -0.437 1
1 364 . 15 1 1 A 31 31 LYS CA C 31 59.878 59.443 0.435 1
1 365 . 15 1 1 A 31 31 LYS CB C 31 31.707 32.343 -0.636 1
1 367 . 15 1 1 A 31 31 LYS N N 31 121.474 120.583 0.891 1
1 368 . 15 1 1 A 32 32 LEU H H 32 7.215 7.796 -0.581 1
1 369 . 15 1 1 A 32 32 LEU HA H 32 4.179 4.092 0.087 1
1 376 . 15 1 1 A 32 32 LEU C C 32 180.639 179.324 1.315 1
1 377 . 15 1 1 A 32 32 LEU CA C 32 57.933 57.488 0.445 1
1 378 . 15 1 1 A 32 32 LEU CB C 32 41.283 41.498 -0.215 1
1 381 . 15 1 1 A 32 32 LEU N N 32 118.836 119.349 -0.513 1
1 382 . 15 1 1 A 33 33 ILE H H 33 7.397 7.564 -0.167 1
1 383 . 15 1 1 A 33 33 ILE HA H 33 3.896 3.886 0.010 1
1 388 . 15 1 1 A 33 33 ILE C C 33 178.546 177.892 0.654 1
1 389 . 15 1 1 A 33 33 ILE CA C 33 63.892 63.568 0.324 1
1 390 . 15 1 1 A 33 33 ILE CB C 33 37.582 37.722 -0.140 1
1 393 . 15 1 1 A 33 33 ILE N N 33 118.838 119.722 -0.884 1
1 394 . 15 1 1 A 34 34 ALA H H 34 8.593 8.587 0.006 1
1 395 . 15 1 1 A 34 34 ALA HA H 34 3.984 4.002 -0.018 1
1 399 . 15 1 1 A 34 34 ALA C C 34 179.571 180.400 -0.829 1
1 400 . 15 1 1 A 34 34 ALA CA C 34 55.141 55.643 -0.502 1
1 401 . 15 1 1 A 34 34 ALA CB C 34 18.671 18.683 -0.012 1
1 402 . 15 1 1 A 34 34 ALA N N 34 121.471 124.058 -2.587 1
1 403 . 15 1 1 A 35 35 ASN H H 35 8.503 8.167 0.336 1
1 404 . 15 1 1 A 35 35 ASN HA H 35 4.707 4.732 -0.025 1
1 409 . 15 1 1 A 35 35 ASN C C 35 177.434 177.267 0.167 1
1 410 . 15 1 1 A 35 35 ASN CA C 35 55.732 55.922 -0.190 1
1 411 . 15 1 1 A 35 35 ASN CB C 35 38.224 37.924 0.300 1
1 412 . 15 1 1 A 35 35 ASN N N 35 116.283 116.260 0.023 1
1 414 . 15 1 1 A 36 36 ALA H H 36 7.610 7.435 0.175 1
1 415 . 15 1 1 A 36 36 ALA HA H 36 4.363 4.044 0.319 1
1 419 . 15 1 1 A 36 36 ALA C C 36 178.715 178.402 0.313 1
1 420 . 15 1 1 A 36 36 ALA CA C 36 54.004 54.298 -0.294 1
1 421 . 15 1 1 A 36 36 ALA CB C 36 19.224 18.257 0.967 1
1 422 . 15 1 1 A 36 36 ALA N N 36 120.620 121.795 -1.175 1
1 423 . 15 1 1 A 37 37 LYS H H 37 7.673 7.728 -0.055 1
1 424 . 15 1 1 A 37 37 LYS HA H 37 4.436 4.316 0.120 1
1 431 . 15 1 1 A 37 37 LYS C C 37 175.876 176.010 -0.134 1
1 432 . 15 1 1 A 37 37 LYS CA C 37 56.284 56.839 -0.555 1
1 433 . 15 1 1 A 37 37 LYS CB C 37 34.026 34.319 -0.293 1
1 437 . 15 1 1 A 37 37 LYS N N 37 116.344 114.911 1.433 1
1 438 . 15 1 1 A 38 38 THR H H 38 8.122 8.287 -0.165 1
1 439 . 15 1 1 A 38 38 THR HA H 38 4.409 4.519 -0.110 1
1 444 . 15 1 1 A 38 38 THR C C 38 172.766 172.176 0.590 1
1 445 . 15 1 1 A 38 38 THR CA C 38 61.468 60.748 0.720 1
1 446 . 15 1 1 A 38 38 THR CB C 38 69.124 69.984 -0.860 1
1 448 . 15 1 1 A 38 38 THR N N 38 113.585 109.455 4.130 1
1 449 . 15 1 1 A 39 39 VAL H H 39 8.254 8.704 -0.450 1
1 450 . 15 1 1 A 39 39 VAL HA H 39 4.399 4.605 -0.206 1
1 455 . 15 1 1 A 39 39 VAL C C 39 176.183 175.196 0.987 1
1 456 . 15 1 1 A 39 39 VAL CA C 39 62.431 60.539 1.892 1
1 457 . 15 1 1 A 39 39 VAL CB C 39 32.795 31.686 1.109 1
1 459 . 15 1 1 A 39 39 VAL N N 39 120.756 122.580 -1.824 1
1 460 . 15 1 1 A 40 40 GLU H H 40 8.732 8.065 0.667 1
1 461 . 15 1 1 A 40 40 GLU HA H 40 4.711 4.988 -0.277 1
1 464 . 15 1 1 A 40 40 GLU C C 40 175.571 175.590 -0.019 1
1 465 . 15 1 1 A 40 40 GLU CA C 40 55.569 55.874 -0.305 1
1 466 . 15 1 1 A 40 40 GLU CB C 40 30.469 33.316 -2.847 1
1 468 . 15 1 1 A 40 40 GLU N N 40 124.791 122.209 2.582 1
1 469 . 15 1 1 A 41 41 GLY H H 41 8.145 8.446 -0.301 1
1 470 . 15 1 1 A 41 41 GLY HA2 H 41 4.236 4.154 0.082 1
1 471 . 15 1 1 A 41 41 GLY HA3 H 41 3.589 4.166 -0.577 1
1 472 . 15 1 1 A 41 41 GLY C C 41 172.517 172.710 -0.193 1
1 473 . 15 1 1 A 41 41 GLY CA C 41 45.203 45.798 -0.595 1
1 474 . 15 1 1 A 41 41 GLY N N 41 107.758 111.556 -3.798 1
1 475 . 15 1 1 A 42 42 VAL H H 42 8.490 9.085 -0.595 1
1 476 . 15 1 1 A 42 42 VAL HA H 42 4.525 5.052 -0.527 1
1 481 . 15 1 1 A 42 42 VAL C C 42 176.739 174.961 1.778 1
1 482 . 15 1 1 A 42 42 VAL CA C 42 62.354 60.599 1.755 1
1 483 . 15 1 1 A 42 42 VAL CB C 42 33.355 33.359 -0.004 1
1 485 . 15 1 1 A 42 42 VAL N N 42 121.959 115.380 6.579 1
1 486 . 15 1 1 A 43 43 TRP H H 43 9.465 9.054 0.411 1
1 487 . 15 1 1 A 43 43 TRP HA H 43 5.375 5.347 0.028 1
1 495 . 15 1 1 A 43 43 TRP C C 43 177.127 176.571 0.556 1
1 496 . 15 1 1 A 43 43 TRP CA C 43 58.056 57.408 0.648 1
1 497 . 15 1 1 A 43 43 TRP CB C 43 29.740 30.751 -1.011 1
1 502 . 15 1 1 A 43 43 TRP N N 43 130.804 128.432 2.372 1
1 504 . 15 1 1 A 44 44 THR H H 44 9.380 8.542 0.838 1
1 505 . 15 1 1 A 44 44 THR HA H 44 4.908 5.297 -0.389 1
1 510 . 15 1 1 A 44 44 THR C C 44 172.803 172.746 0.057 1
1 511 . 15 1 1 A 44 44 THR CA C 44 61.075 60.777 0.298 1
1 512 . 15 1 1 A 44 44 THR CB C 44 72.681 72.284 0.397 1
1 514 . 15 1 1 A 44 44 THR N N 44 115.117 113.907 1.210 1
1 515 . 15 1 1 A 45 45 TYR H H 45 8.773 8.997 -0.224 1
1 516 . 15 1 1 A 45 45 TYR HA H 45 5.143 5.691 -0.548 1
1 521 . 15 1 1 A 45 45 TYR C C 45 174.047 173.831 0.216 1
1 522 . 15 1 1 A 45 45 TYR CA C 45 57.154 56.931 0.223 1
1 523 . 15 1 1 A 45 45 TYR CB C 45 41.212 42.456 -1.244 1
1 526 . 15 1 1 A 45 45 TYR N N 45 121.946 123.397 -1.451 1
1 527 . 15 1 1 A 46 46 LYS H H 46 7.505 8.150 -0.645 1
1 528 . 15 1 1 A 46 46 LYS HA H 46 4.457 4.625 -0.168 1
1 533 . 15 1 1 A 46 46 LYS C C 46 175.444 175.621 -0.177 1
1 534 . 15 1 1 A 46 46 LYS CA C 46 53.992 54.312 -0.320 1
1 535 . 15 1 1 A 46 46 LYS CB C 46 33.875 35.012 -1.137 1
1 539 . 15 1 1 A 46 46 LYS N N 46 128.658 126.449 2.209 1
1 540 . 15 1 1 A 47 47 ASP H H 47 8.807 9.074 -0.267 1
1 541 . 15 1 1 A 47 47 ASP HA H 47 4.135 4.350 -0.215 1
1 544 . 15 1 1 A 47 47 ASP C C 47 179.380 178.170 1.210 1
1 545 . 15 1 1 A 47 47 ASP CA C 47 57.464 55.779 1.685 1
1 546 . 15 1 1 A 47 47 ASP CB C 47 42.288 40.368 1.920 1
1 547 . 15 1 1 A 47 47 ASP N N 47 126.643 123.935 2.708 1
1 548 . 15 1 1 A 48 48 GLU H H 48 9.909 7.944 1.965 1
1 549 . 15 1 1 A 48 48 GLU HA H 48 4.172 4.102 0.070 1
1 554 . 15 1 1 A 48 48 GLU C C 48 177.317 177.418 -0.101 1
1 555 . 15 1 1 A 48 48 GLU CA C 48 59.979 59.313 0.666 1
1 556 . 15 1 1 A 48 48 GLU CB C 48 28.699 29.781 -1.082 1
1 558 . 15 1 1 A 48 48 GLU N N 48 118.400 118.723 -0.323 1
1 559 . 15 1 1 A 49 49 ILE H H 49 6.510 7.193 -0.683 1
1 560 . 15 1 1 A 49 49 ILE HA H 49 4.697 4.278 0.419 1
1 568 . 15 1 1 A 49 49 ILE C C 49 175.868 175.171 0.697 1
1 569 . 15 1 1 A 49 49 ILE CA C 49 60.318 59.716 0.602 1
1 570 . 15 1 1 A 49 49 ILE CB C 49 38.324 38.118 0.206 1
1 574 . 15 1 1 A 49 49 ILE N N 49 105.782 111.867 -6.085 1
1 575 . 15 1 1 A 50 50 LYS H H 50 7.991 7.746 0.245 1
1 576 . 15 1 1 A 50 50 LYS HA H 50 4.336 3.798 0.538 1
1 581 . 15 1 1 A 50 50 LYS C C 50 174.829 174.761 0.068 1
1 582 . 15 1 1 A 50 50 LYS CA C 50 55.959 56.740 -0.781 1
1 583 . 15 1 1 A 50 50 LYS CB C 50 29.232 30.846 -1.614 1
1 585 . 15 1 1 A 50 50 LYS N N 50 124.329 116.867 7.462 1
1 586 . 15 1 1 A 51 51 THR H H 51 7.174 6.808 0.366 1
1 587 . 15 1 1 A 51 51 THR HA H 51 5.774 5.194 0.580 1
1 592 . 15 1 1 A 51 51 THR C C 51 173.893 171.756 2.137 1
1 593 . 15 1 1 A 51 51 THR CA C 51 62.217 60.442 1.775 1
1 594 . 15 1 1 A 51 51 THR CB C 51 73.248 71.314 1.934 1
1 596 . 15 1 1 A 51 51 THR N N 51 109.849 115.332 -5.483 1
1 597 . 15 1 1 A 52 52 PHE H H 52 10.338 9.429 0.909 1
1 598 . 15 1 1 A 52 52 PHE HA H 52 5.693 6.044 -0.351 1
1 605 . 15 1 1 A 52 52 PHE C C 52 174.361 175.177 -0.816 1
1 606 . 15 1 1 A 52 52 PHE CA C 52 57.260 56.727 0.533 1
1 607 . 15 1 1 A 52 52 PHE CB C 52 42.130 42.232 -0.102 1
1 612 . 15 1 1 A 52 52 PHE N N 52 130.662 125.970 4.692 1
1 613 . 15 1 1 A 53 53 THR H H 53 9.262 9.251 0.011 1
1 614 . 15 1 1 A 53 53 THR HA H 53 5.288 4.867 0.421 1
1 619 . 15 1 1 A 53 53 THR C C 53 172.678 173.261 -0.583 1
1 620 . 15 1 1 A 53 53 THR CA C 53 61.511 61.118 0.393 1
1 621 . 15 1 1 A 53 53 THR CB C 53 70.861 72.296 -1.435 1
1 623 . 15 1 1 A 53 53 THR N N 53 118.205 115.059 3.146 1
1 624 . 15 1 1 A 54 54 VAL H H 54 8.628 8.870 -0.242 1
1 625 . 15 1 1 A 54 54 VAL HA H 54 4.599 5.048 -0.449 1
1 633 . 15 1 1 A 54 54 VAL C C 54 174.090 174.168 -0.078 1
1 634 . 15 1 1 A 54 54 VAL CA C 54 59.646 60.169 -0.523 1
1 635 . 15 1 1 A 54 54 VAL CB C 54 32.737 33.750 -1.013 1
1 637 . 15 1 1 A 54 54 VAL N N 54 125.183 122.650 2.533 1
1 638 . 15 1 1 A 55 55 THR H H 55 8.434 8.595 -0.161 1
1 639 . 15 1 1 A 55 55 THR HA H 55 4.951 4.890 0.061 1
1 644 . 15 1 1 A 55 55 THR C C 55 173.695 172.859 0.836 1
1 645 . 15 1 1 A 55 55 THR CA C 55 61.219 61.419 -0.200 1
1 646 . 15 1 1 A 55 55 THR CB C 55 71.454 70.465 0.989 1
1 648 . 15 1 1 A 55 55 THR N N 55 122.255 124.265 -2.010 1
1 9 . 16 1 1 A 2 2 THR H H 2 8.931 8.783 0.148 1
1 10 . 16 1 1 A 2 2 THR HA H 2 4.504 4.883 -0.379 1
1 15 . 16 1 1 A 2 2 THR C C 2 172.828 172.480 0.348 1
1 16 . 16 1 1 A 2 2 THR CA C 2 63.506 60.476 3.030 1
1 17 . 16 1 1 A 2 2 THR CB C 2 68.833 70.219 -1.386 1
1 19 . 16 1 1 A 2 2 THR N N 2 124.414 119.867 4.547 1
1 20 . 16 1 1 A 3 3 TYR H H 3 9.041 9.036 0.005 1
1 21 . 16 1 1 A 3 3 TYR HA H 3 5.453 5.545 -0.092 1
1 26 . 16 1 1 A 3 3 TYR C C 3 174.672 175.526 -0.854 1
1 27 . 16 1 1 A 3 3 TYR CA C 3 57.886 57.200 0.686 1
1 28 . 16 1 1 A 3 3 TYR CB C 3 42.295 41.449 0.846 1
1 31 . 16 1 1 A 3 3 TYR N N 3 127.469 128.284 -0.815 1
1 32 . 16 1 1 A 4 4 LYS H H 4 9.046 8.611 0.435 1
1 33 . 16 1 1 A 4 4 LYS HA H 4 5.547 5.648 -0.101 1
1 40 . 16 1 1 A 4 4 LYS C C 4 173.092 175.090 -1.998 1
1 41 . 16 1 1 A 4 4 LYS CA C 4 55.112 55.024 0.088 1
1 42 . 16 1 1 A 4 4 LYS CB C 4 35.889 36.553 -0.664 1
1 46 . 16 1 1 A 4 4 LYS N N 4 121.164 121.372 -0.208 1
1 47 . 16 1 1 A 5 5 LEU H H 5 9.017 9.568 -0.551 1
1 48 . 16 1 1 A 5 5 LEU HA H 5 5.095 5.794 -0.699 1
1 58 . 16 1 1 A 5 5 LEU C C 5 174.914 174.375 0.539 1
1 59 . 16 1 1 A 5 5 LEU CA C 5 52.648 53.611 -0.963 1
1 60 . 16 1 1 A 5 5 LEU CB C 5 43.729 45.442 -1.713 1
1 63 . 16 1 1 A 5 5 LEU N N 5 126.371 123.975 2.396 1
1 64 . 16 1 1 A 6 6 ILE H H 6 9.129 9.320 -0.191 1
1 65 . 16 1 1 A 6 6 ILE HA H 6 4.502 4.756 -0.254 1
1 70 . 16 1 1 A 6 6 ILE C C 6 174.654 174.302 0.352 1
1 71 . 16 1 1 A 6 6 ILE CA C 6 60.366 60.251 0.115 1
1 72 . 16 1 1 A 6 6 ILE CB C 6 38.760 39.210 -0.450 1
1 76 . 16 1 1 A 6 6 ILE N N 6 126.264 126.267 -0.003 1
1 77 . 16 1 1 A 7 7 LEU H H 7 8.956 9.205 -0.249 1
1 78 . 16 1 1 A 7 7 LEU HA H 7 4.570 5.051 -0.481 1
1 84 . 16 1 1 A 7 7 LEU C C 7 174.493 176.012 -1.519 1
1 85 . 16 1 1 A 7 7 LEU CA C 7 53.644 53.028 0.616 1
1 86 . 16 1 1 A 7 7 LEU CB C 7 41.339 43.990 -2.651 1
1 89 . 16 1 1 A 7 7 LEU N N 7 126.422 127.748 -1.326 1
1 90 . 16 1 1 A 8 8 ASN H H 8 9.065 9.020 0.045 1
1 91 . 16 1 1 A 8 8 ASN HA H 8 5.181 5.474 -0.293 1
1 96 . 16 1 1 A 8 8 ASN C C 8 174.434 174.190 0.244 1
1 97 . 16 1 1 A 8 8 ASN CA C 8 51.851 51.927 -0.076 1
1 98 . 16 1 1 A 8 8 ASN CB C 8 37.869 40.782 -2.913 1
1 99 . 16 1 1 A 8 8 ASN N N 8 125.633 121.932 3.701 1
1 101 . 16 1 1 A 9 9 LEU H H 9 7.720 8.747 -1.027 1
1 102 . 16 1 1 A 9 9 LEU HA H 9 4.754 4.923 -0.169 1
1 109 . 16 1 1 A 9 9 LEU C C 9 177.207 176.107 1.100 1
1 110 . 16 1 1 A 9 9 LEU CA C 9 53.431 53.194 0.237 1
1 111 . 16 1 1 A 9 9 LEU CB C 9 41.451 43.704 -2.253 1
1 114 . 16 1 1 A 9 9 LEU N N 9 121.516 124.778 -3.262 1
1 115 . 16 1 1 A 10 10 LYS H H 10 9.251 8.499 0.752 1
1 116 . 16 1 1 A 10 10 LYS HA H 10 4.034 4.364 -0.330 1
1 123 . 16 1 1 A 10 10 LYS C C 10 179.205 176.636 2.569 1
1 124 . 16 1 1 A 10 10 LYS CA C 10 59.720 55.539 4.181 1
1 125 . 16 1 1 A 10 10 LYS CB C 10 31.834 31.032 0.802 1
1 128 . 16 1 1 A 10 10 LYS N N 10 120.915 121.298 -0.383 1
1 129 . 16 1 1 A 11 11 GLN H H 11 8.566 7.737 0.829 1
1 130 . 16 1 1 A 11 11 GLN HA H 11 4.447 4.531 -0.084 1
1 137 . 16 1 1 A 11 11 GLN C C 11 175.378 175.287 0.091 1
1 138 . 16 1 1 A 11 11 GLN CA C 11 56.019 56.597 -0.578 1
1 139 . 16 1 1 A 11 11 GLN CB C 11 29.175 31.693 -2.518 1
1 141 . 16 1 1 A 11 11 GLN N N 11 113.391 121.132 -7.741 1
1 143 . 16 1 1 A 12 12 ALA H H 12 7.186 7.533 -0.347 1
1 144 . 16 1 1 A 12 12 ALA HA H 12 4.506 4.583 -0.077 1
1 148 . 16 1 1 A 12 12 ALA C C 12 174.369 175.288 -0.919 1
1 149 . 16 1 1 A 12 12 ALA CA C 12 52.485 51.573 0.912 1
1 150 . 16 1 1 A 12 12 ALA CB C 12 21.424 22.423 -0.999 1
1 151 . 16 1 1 A 12 12 ALA N N 12 120.106 118.096 2.010 1
1 152 . 16 1 1 A 13 13 LYS H H 13 8.298 8.820 -0.522 1
1 153 . 16 1 1 A 13 13 LYS HA H 13 5.392 5.243 0.149 1
1 158 . 16 1 1 A 13 13 LYS C C 13 176.285 174.851 1.434 1
1 159 . 16 1 1 A 13 13 LYS CA C 13 55.138 54.410 0.728 1
1 160 . 16 1 1 A 13 13 LYS CB C 13 33.656 36.682 -3.026 1
1 164 . 16 1 1 A 13 13 LYS N N 13 120.804 116.024 4.780 1
1 165 . 16 1 1 A 14 14 GLU H H 14 8.640 8.423 0.217 1
1 166 . 16 1 1 A 14 14 GLU HA H 14 4.879 4.912 -0.033 1
1 171 . 16 1 1 A 14 14 GLU C C 14 174.032 174.498 -0.466 1
1 172 . 16 1 1 A 14 14 GLU CA C 14 54.909 54.930 -0.021 1
1 173 . 16 1 1 A 14 14 GLU CB C 14 34.407 33.799 0.608 1
1 175 . 16 1 1 A 14 14 GLU N N 14 123.450 119.928 3.522 1
1 176 . 16 1 1 A 15 15 GLU H H 15 8.642 8.865 -0.223 1
1 177 . 16 1 1 A 15 15 GLU HA H 15 5.631 5.256 0.375 1
1 182 . 16 1 1 A 15 15 GLU C C 15 175.503 175.305 0.198 1
1 183 . 16 1 1 A 15 15 GLU CA C 15 54.638 54.869 -0.231 1
1 184 . 16 1 1 A 15 15 GLU CB C 15 34.147 32.494 1.653 1
1 186 . 16 1 1 A 15 15 GLU N N 15 120.056 123.322 -3.266 1
1 187 . 16 1 1 A 16 16 ALA H H 16 9.166 9.226 -0.060 1
1 188 . 16 1 1 A 16 16 ALA HA H 16 4.981 5.576 -0.595 1
1 192 . 16 1 1 A 16 16 ALA C C 16 175.027 176.247 -1.220 1
1 193 . 16 1 1 A 16 16 ALA CA C 16 51.324 49.863 1.461 1
1 194 . 16 1 1 A 16 16 ALA CB C 16 22.552 22.609 -0.057 1
1 195 . 16 1 1 A 16 16 ALA N N 16 124.648 126.423 -1.775 1
1 196 . 16 1 1 A 17 17 ILE H H 17 8.645 8.988 -0.343 1
1 197 . 16 1 1 A 17 17 ILE HA H 17 5.672 5.532 0.140 1
1 207 . 16 1 1 A 17 17 ILE C C 17 175.737 174.367 1.370 1
1 208 . 16 1 1 A 17 17 ILE CA C 17 59.733 59.195 0.538 1
1 209 . 16 1 1 A 17 17 ILE CB C 17 42.219 42.727 -0.508 1
1 213 . 16 1 1 A 17 17 ILE N N 17 116.684 117.208 -0.524 1
1 214 . 16 1 1 A 18 18 LYS H H 18 9.243 8.643 0.600 1
1 215 . 16 1 1 A 18 18 LYS HA H 18 4.548 4.697 -0.149 1
1 222 . 16 1 1 A 18 18 LYS C C 18 174.039 173.659 0.380 1
1 223 . 16 1 1 A 18 18 LYS CA C 18 54.956 55.643 -0.687 1
1 224 . 16 1 1 A 18 18 LYS CB C 18 37.101 36.701 0.400 1
1 228 . 16 1 1 A 18 18 LYS N N 18 123.578 122.346 1.232 1
1 229 . 16 1 1 A 19 19 GLU H H 19 8.812 8.947 -0.135 1
1 230 . 16 1 1 A 19 19 GLU HA H 19 5.184 5.044 0.140 1
1 233 . 16 1 1 A 19 19 GLU C C 19 175.912 175.407 0.505 1
1 234 . 16 1 1 A 19 19 GLU CA C 19 55.340 55.146 0.194 1
1 235 . 16 1 1 A 19 19 GLU CB C 19 29.224 31.625 -2.401 1
1 237 . 16 1 1 A 19 19 GLU N N 19 129.720 126.293 3.427 1
1 238 . 16 1 1 A 20 20 ALA H H 20 9.425 8.754 0.671 1
1 239 . 16 1 1 A 20 20 ALA HA H 20 4.935 4.902 0.033 1
1 243 . 16 1 1 A 20 20 ALA C C 20 177.376 178.006 -0.630 1
1 244 . 16 1 1 A 20 20 ALA CA C 20 51.128 49.949 1.179 1
1 245 . 16 1 1 A 20 20 ALA CB C 20 23.405 22.752 0.653 1
1 246 . 16 1 1 A 20 20 ALA N N 20 127.622 129.873 -2.251 1
1 247 . 16 1 1 A 21 21 VAL H H 21 8.620 8.573 0.047 1
1 248 . 16 1 1 A 21 21 VAL HA H 21 4.262 4.313 -0.051 1
1 253 . 16 1 1 A 21 21 VAL C C 21 175.539 174.892 0.647 1
1 254 . 16 1 1 A 21 21 VAL CA C 21 63.598 61.326 2.272 1
1 255 . 16 1 1 A 21 21 VAL CB C 21 31.839 31.707 0.132 1
1 257 . 16 1 1 A 21 21 VAL N N 21 115.529 115.209 0.320 1
1 258 . 16 1 1 A 22 22 ASP H H 22 7.405 8.150 -0.745 1
1 259 . 16 1 1 A 22 22 ASP HA H 22 4.946 4.989 -0.043 1
1 262 . 16 1 1 A 22 22 ASP C C 22 174.734 176.483 -1.749 1
1 263 . 16 1 1 A 22 22 ASP CA C 22 52.601 54.490 -1.889 1
1 264 . 16 1 1 A 22 22 ASP CB C 22 42.748 42.877 -0.129 1
1 265 . 16 1 1 A 22 22 ASP N N 22 115.513 118.681 -3.168 1
1 266 . 16 1 1 A 23 23 ALA H H 23 8.614 8.058 0.556 1
1 267 . 16 1 1 A 23 23 ALA HA H 23 3.294 3.868 -0.574 1
1 271 . 16 1 1 A 23 23 ALA C C 23 179.849 178.383 1.466 1
1 272 . 16 1 1 A 23 23 ALA CA C 23 54.858 52.883 1.975 1
1 273 . 16 1 1 A 23 23 ALA CB C 23 17.424 20.762 -3.338 1
1 274 . 16 1 1 A 23 23 ALA N N 23 121.829 117.849 3.980 1
1 275 . 16 1 1 A 24 24 GLY H H 24 8.555 8.375 0.180 1
1 276 . 16 1 1 A 24 24 GLY HA2 H 24 3.851 3.831 0.020 1
1 277 . 16 1 1 A 24 24 GLY HA3 H 24 3.851 3.865 -0.014 1
1 278 . 16 1 1 A 24 24 GLY C C 24 177.142 175.799 1.343 1
1 279 . 16 1 1 A 24 24 GLY CA C 24 46.839 46.969 -0.130 1
1 280 . 16 1 1 A 24 24 GLY N N 24 106.435 106.544 -0.109 1
1 281 . 16 1 1 A 25 25 THR H H 25 8.241 7.894 0.347 1
1 282 . 16 1 1 A 25 25 THR HA H 25 4.063 4.082 -0.019 1
1 287 . 16 1 1 A 25 25 THR C C 25 177.054 176.054 1.000 1
1 288 . 16 1 1 A 25 25 THR CA C 25 66.635 65.211 1.424 1
1 289 . 16 1 1 A 25 25 THR CB C 25 68.068 68.555 -0.487 1
1 291 . 16 1 1 A 25 25 THR N N 25 119.981 117.711 2.270 1
1 292 . 16 1 1 A 26 26 ALA H H 26 7.100 8.131 -1.031 1
1 293 . 16 1 1 A 26 26 ALA HA H 26 3.364 3.643 -0.279 1
1 297 . 16 1 1 A 26 26 ALA C C 26 177.098 178.810 -1.712 1
1 298 . 16 1 1 A 26 26 ALA CA C 26 55.502 54.660 0.842 1
1 299 . 16 1 1 A 26 26 ALA CB C 26 17.127 17.570 -0.443 1
1 300 . 16 1 1 A 26 26 ALA N N 26 124.535 123.978 0.557 1
1 301 . 16 1 1 A 27 27 GLU H H 27 8.739 7.896 0.843 1
1 302 . 16 1 1 A 27 27 GLU HA H 27 2.941 3.834 -0.893 1
1 307 . 16 1 1 A 27 27 GLU C C 27 177.368 178.535 -1.167 1
1 308 . 16 1 1 A 27 27 GLU CA C 27 60.190 59.497 0.693 1
1 309 . 16 1 1 A 27 27 GLU CB C 27 29.225 29.010 0.215 1
1 311 . 16 1 1 A 27 27 GLU N N 27 118.116 118.574 -0.458 1
1 312 . 16 1 1 A 28 28 LYS H H 28 7.333 7.484 -0.151 1
1 313 . 16 1 1 A 28 28 LYS HA H 28 3.764 4.063 -0.299 1
1 320 . 16 1 1 A 28 28 LYS C C 28 178.993 178.497 0.496 1
1 321 . 16 1 1 A 28 28 LYS CA C 28 59.881 58.793 1.088 1
1 322 . 16 1 1 A 28 28 LYS CB C 28 32.382 32.051 0.331 1
1 324 . 16 1 1 A 28 28 LYS N N 28 116.088 118.311 -2.223 1
1 325 . 16 1 1 A 29 29 TYR H H 29 7.016 8.022 -1.006 1
1 326 . 16 1 1 A 29 29 TYR HA H 29 4.273 4.299 -0.026 1
1 333 . 16 1 1 A 29 29 TYR C C 29 177.581 177.765 -0.184 1
1 334 . 16 1 1 A 29 29 TYR CA C 29 61.050 61.374 -0.324 1
1 335 . 16 1 1 A 29 29 TYR CB C 29 37.860 38.424 -0.564 1
1 340 . 16 1 1 A 29 29 TYR N N 29 119.155 121.979 -2.824 1
1 341 . 16 1 1 A 30 30 PHE H H 30 8.775 8.634 0.141 1
1 342 . 16 1 1 A 30 30 PHE HA H 30 4.619 4.208 0.411 1
1 349 . 16 1 1 A 30 30 PHE C C 30 178.612 177.823 0.789 1
1 350 . 16 1 1 A 30 30 PHE CA C 30 57.312 62.447 -5.135 1
1 351 . 16 1 1 A 30 30 PHE CB C 30 37.667 38.622 -0.955 1
1 356 . 16 1 1 A 30 30 PHE N N 30 118.969 119.027 -0.058 1
1 357 . 16 1 1 A 31 31 LYS H H 31 8.977 9.003 -0.026 1
1 358 . 16 1 1 A 31 31 LYS HA H 31 4.141 4.355 -0.214 1
1 363 . 16 1 1 A 31 31 LYS C C 31 178.781 179.278 -0.497 1
1 364 . 16 1 1 A 31 31 LYS CA C 31 59.878 59.571 0.307 1
1 365 . 16 1 1 A 31 31 LYS CB C 31 31.707 32.252 -0.545 1
1 367 . 16 1 1 A 31 31 LYS N N 31 121.474 120.757 0.717 1
1 368 . 16 1 1 A 32 32 LEU H H 32 7.215 7.774 -0.559 1
1 369 . 16 1 1 A 32 32 LEU HA H 32 4.179 4.074 0.105 1
1 376 . 16 1 1 A 32 32 LEU C C 32 180.639 179.346 1.293 1
1 377 . 16 1 1 A 32 32 LEU CA C 32 57.933 57.599 0.334 1
1 378 . 16 1 1 A 32 32 LEU CB C 32 41.283 41.546 -0.263 1
1 381 . 16 1 1 A 32 32 LEU N N 32 118.836 119.168 -0.332 1
1 382 . 16 1 1 A 33 33 ILE H H 33 7.397 7.591 -0.194 1
1 383 . 16 1 1 A 33 33 ILE HA H 33 3.896 3.877 0.019 1
1 388 . 16 1 1 A 33 33 ILE C C 33 178.546 177.814 0.732 1
1 389 . 16 1 1 A 33 33 ILE CA C 33 63.892 63.751 0.141 1
1 390 . 16 1 1 A 33 33 ILE CB C 33 37.582 37.737 -0.155 1
1 393 . 16 1 1 A 33 33 ILE N N 33 118.838 119.760 -0.922 1
1 394 . 16 1 1 A 34 34 ALA H H 34 8.593 8.321 0.272 1
1 395 . 16 1 1 A 34 34 ALA HA H 34 3.984 3.978 0.006 1
1 399 . 16 1 1 A 34 34 ALA C C 34 179.571 179.406 0.165 1
1 400 . 16 1 1 A 34 34 ALA CA C 34 55.141 55.558 -0.417 1
1 401 . 16 1 1 A 34 34 ALA CB C 34 18.671 18.775 -0.104 1
1 402 . 16 1 1 A 34 34 ALA N N 34 121.471 124.157 -2.686 1
1 403 . 16 1 1 A 35 35 ASN H H 35 8.503 8.381 0.122 1
1 404 . 16 1 1 A 35 35 ASN HA H 35 4.707 4.690 0.017 1
1 409 . 16 1 1 A 35 35 ASN C C 35 177.434 176.930 0.504 1
1 410 . 16 1 1 A 35 35 ASN CA C 35 55.732 56.277 -0.545 1
1 411 . 16 1 1 A 35 35 ASN CB C 35 38.224 38.761 -0.537 1
1 412 . 16 1 1 A 35 35 ASN N N 35 116.283 116.943 -0.660 1
1 414 . 16 1 1 A 36 36 ALA H H 36 7.610 7.393 0.217 1
1 415 . 16 1 1 A 36 36 ALA HA H 36 4.363 4.200 0.163 1
1 419 . 16 1 1 A 36 36 ALA C C 36 178.715 178.073 0.642 1
1 420 . 16 1 1 A 36 36 ALA CA C 36 54.004 53.747 0.257 1
1 421 . 16 1 1 A 36 36 ALA CB C 36 19.224 18.753 0.471 1
1 422 . 16 1 1 A 36 36 ALA N N 36 120.620 121.257 -0.637 1
1 423 . 16 1 1 A 37 37 LYS H H 37 7.673 7.832 -0.159 1
1 424 . 16 1 1 A 37 37 LYS HA H 37 4.436 4.325 0.111 1
1 431 . 16 1 1 A 37 37 LYS C C 37 175.876 175.922 -0.046 1
1 432 . 16 1 1 A 37 37 LYS CA C 37 56.284 56.700 -0.416 1
1 433 . 16 1 1 A 37 37 LYS CB C 37 34.026 34.585 -0.559 1
1 437 . 16 1 1 A 37 37 LYS N N 37 116.344 115.334 1.010 1
1 438 . 16 1 1 A 38 38 THR H H 38 8.122 8.431 -0.309 1
1 439 . 16 1 1 A 38 38 THR HA H 38 4.409 4.638 -0.229 1
1 444 . 16 1 1 A 38 38 THR C C 38 172.766 171.881 0.885 1
1 445 . 16 1 1 A 38 38 THR CA C 38 61.468 60.573 0.895 1
1 446 . 16 1 1 A 38 38 THR CB C 38 69.124 70.441 -1.317 1
1 448 . 16 1 1 A 38 38 THR N N 38 113.585 110.134 3.451 1
1 449 . 16 1 1 A 39 39 VAL H H 39 8.254 8.222 0.032 1
1 450 . 16 1 1 A 39 39 VAL HA H 39 4.399 4.488 -0.089 1
1 455 . 16 1 1 A 39 39 VAL C C 39 176.183 174.689 1.494 1
1 456 . 16 1 1 A 39 39 VAL CA C 39 62.431 61.044 1.387 1
1 457 . 16 1 1 A 39 39 VAL CB C 39 32.795 32.134 0.661 1
1 459 . 16 1 1 A 39 39 VAL N N 39 120.756 123.123 -2.367 1
1 460 . 16 1 1 A 40 40 GLU H H 40 8.732 7.303 1.429 1
1 461 . 16 1 1 A 40 40 GLU HA H 40 4.711 4.751 -0.040 1
1 464 . 16 1 1 A 40 40 GLU C C 40 175.571 175.546 0.025 1
1 465 . 16 1 1 A 40 40 GLU CA C 40 55.569 56.333 -0.764 1
1 466 . 16 1 1 A 40 40 GLU CB C 40 30.469 33.005 -2.536 1
1 468 . 16 1 1 A 40 40 GLU N N 40 124.791 119.509 5.282 1
1 469 . 16 1 1 A 41 41 GLY H H 41 8.145 8.467 -0.322 1
1 470 . 16 1 1 A 41 41 GLY HA2 H 41 4.236 4.142 0.094 1
1 471 . 16 1 1 A 41 41 GLY HA3 H 41 3.589 4.156 -0.567 1
1 472 . 16 1 1 A 41 41 GLY C C 41 172.517 172.727 -0.210 1
1 473 . 16 1 1 A 41 41 GLY CA C 41 45.203 45.810 -0.607 1
1 474 . 16 1 1 A 41 41 GLY N N 41 107.758 111.513 -3.755 1
1 475 . 16 1 1 A 42 42 VAL H H 42 8.490 9.099 -0.609 1
1 476 . 16 1 1 A 42 42 VAL HA H 42 4.525 5.030 -0.505 1
1 481 . 16 1 1 A 42 42 VAL C C 42 176.739 174.693 2.046 1
1 482 . 16 1 1 A 42 42 VAL CA C 42 62.354 60.602 1.752 1
1 483 . 16 1 1 A 42 42 VAL CB C 42 33.355 33.223 0.132 1
1 485 . 16 1 1 A 42 42 VAL N N 42 121.959 115.583 6.376 1
1 486 . 16 1 1 A 43 43 TRP H H 43 9.465 9.016 0.449 1
1 487 . 16 1 1 A 43 43 TRP HA H 43 5.375 5.262 0.113 1
1 495 . 16 1 1 A 43 43 TRP C C 43 177.127 176.057 1.070 1
1 496 . 16 1 1 A 43 43 TRP CA C 43 58.056 57.018 1.038 1
1 497 . 16 1 1 A 43 43 TRP CB C 43 29.740 28.377 1.363 1
1 502 . 16 1 1 A 43 43 TRP N N 43 130.804 128.190 2.614 1
1 504 . 16 1 1 A 44 44 THR H H 44 9.380 9.330 0.050 1
1 505 . 16 1 1 A 44 44 THR HA H 44 4.908 5.476 -0.568 1
1 510 . 16 1 1 A 44 44 THR C C 44 172.803 173.417 -0.614 1
1 511 . 16 1 1 A 44 44 THR CA C 44 61.075 59.641 1.434 1
1 512 . 16 1 1 A 44 44 THR CB C 44 72.681 71.463 1.218 1
1 514 . 16 1 1 A 44 44 THR N N 44 115.117 115.165 -0.048 1
1 515 . 16 1 1 A 45 45 TYR H H 45 8.773 9.014 -0.241 1
1 516 . 16 1 1 A 45 45 TYR HA H 45 5.143 5.723 -0.580 1
1 521 . 16 1 1 A 45 45 TYR C C 45 174.047 173.244 0.803 1
1 522 . 16 1 1 A 45 45 TYR CA C 45 57.154 57.134 0.020 1
1 523 . 16 1 1 A 45 45 TYR CB C 45 41.212 42.513 -1.301 1
1 526 . 16 1 1 A 45 45 TYR N N 45 121.946 123.508 -1.562 1
1 527 . 16 1 1 A 46 46 LYS H H 46 7.505 8.414 -0.909 1
1 528 . 16 1 1 A 46 46 LYS HA H 46 4.457 4.880 -0.423 1
1 533 . 16 1 1 A 46 46 LYS C C 46 175.444 174.617 0.827 1
1 534 . 16 1 1 A 46 46 LYS CA C 46 53.992 53.778 0.214 1
1 535 . 16 1 1 A 46 46 LYS CB C 46 33.875 36.013 -2.138 1
1 539 . 16 1 1 A 46 46 LYS N N 46 128.658 127.109 1.549 1
1 540 . 16 1 1 A 47 47 ASP H H 47 8.807 8.556 0.251 1
1 541 . 16 1 1 A 47 47 ASP HA H 47 4.135 4.647 -0.512 1
1 544 . 16 1 1 A 47 47 ASP C C 47 179.380 176.677 2.703 1
1 545 . 16 1 1 A 47 47 ASP CA C 47 57.464 53.549 3.915 1
1 546 . 16 1 1 A 47 47 ASP CB C 47 42.288 42.201 0.087 1
1 547 . 16 1 1 A 47 47 ASP N N 47 126.643 125.014 1.629 1
1 548 . 16 1 1 A 48 48 GLU H H 48 9.909 8.766 1.143 1
1 549 . 16 1 1 A 48 48 GLU HA H 48 4.172 3.944 0.228 1
1 554 . 16 1 1 A 48 48 GLU C C 48 177.317 175.989 1.328 1
1 555 . 16 1 1 A 48 48 GLU CA C 48 59.979 58.836 1.143 1
1 556 . 16 1 1 A 48 48 GLU CB C 48 28.699 27.445 1.254 1
1 558 . 16 1 1 A 48 48 GLU N N 48 118.400 116.052 2.348 1
1 559 . 16 1 1 A 49 49 ILE H H 49 6.510 7.880 -1.370 1
1 560 . 16 1 1 A 49 49 ILE HA H 49 4.697 4.228 0.469 1
1 568 . 16 1 1 A 49 49 ILE C C 49 175.868 175.257 0.611 1
1 569 . 16 1 1 A 49 49 ILE CA C 49 60.318 60.945 -0.627 1
1 570 . 16 1 1 A 49 49 ILE CB C 49 38.324 39.892 -1.568 1
1 574 . 16 1 1 A 49 49 ILE N N 49 105.782 117.577 -11.795 1
1 575 . 16 1 1 A 50 50 LYS H H 50 7.991 7.743 0.248 1
1 576 . 16 1 1 A 50 50 LYS HA H 50 4.336 3.902 0.434 1
1 581 . 16 1 1 A 50 50 LYS C C 50 174.829 174.829 0.000 1
1 582 . 16 1 1 A 50 50 LYS CA C 50 55.959 56.804 -0.845 1
1 583 . 16 1 1 A 50 50 LYS CB C 50 29.232 29.982 -0.750 1
1 585 . 16 1 1 A 50 50 LYS N N 50 124.329 120.230 4.099 1
1 586 . 16 1 1 A 51 51 THR H H 51 7.174 6.892 0.282 1
1 587 . 16 1 1 A 51 51 THR HA H 51 5.774 5.133 0.641 1
1 592 . 16 1 1 A 51 51 THR C C 51 173.893 172.767 1.126 1
1 593 . 16 1 1 A 51 51 THR CA C 51 62.217 60.995 1.222 1
1 594 . 16 1 1 A 51 51 THR CB C 51 73.248 72.152 1.096 1
1 596 . 16 1 1 A 51 51 THR N N 51 109.849 112.977 -3.128 1
1 597 . 16 1 1 A 52 52 PHE H H 52 10.338 9.769 0.569 1
1 598 . 16 1 1 A 52 52 PHE HA H 52 5.693 6.015 -0.322 1
1 605 . 16 1 1 A 52 52 PHE C C 52 174.361 175.102 -0.741 1
1 606 . 16 1 1 A 52 52 PHE CA C 52 57.260 56.190 1.070 1
1 607 . 16 1 1 A 52 52 PHE CB C 52 42.130 43.121 -0.991 1
1 612 . 16 1 1 A 52 52 PHE N N 52 130.662 125.909 4.753 1
1 613 . 16 1 1 A 53 53 THR H H 53 9.262 9.457 -0.195 1
1 614 . 16 1 1 A 53 53 THR HA H 53 5.288 5.108 0.180 1
1 619 . 16 1 1 A 53 53 THR C C 53 172.678 172.982 -0.304 1
1 620 . 16 1 1 A 53 53 THR CA C 53 61.511 61.273 0.238 1
1 621 . 16 1 1 A 53 53 THR CB C 53 70.861 72.423 -1.562 1
1 623 . 16 1 1 A 53 53 THR N N 53 118.205 114.447 3.758 1
1 624 . 16 1 1 A 54 54 VAL H H 54 8.628 9.109 -0.481 1
1 625 . 16 1 1 A 54 54 VAL HA H 54 4.599 5.088 -0.489 1
1 633 . 16 1 1 A 54 54 VAL C C 54 174.090 174.340 -0.250 1
1 634 . 16 1 1 A 54 54 VAL CA C 54 59.646 59.888 -0.242 1
1 635 . 16 1 1 A 54 54 VAL CB C 54 32.737 33.619 -0.882 1
1 637 . 16 1 1 A 54 54 VAL N N 54 125.183 124.857 0.326 1
1 638 . 16 1 1 A 55 55 THR H H 55 8.434 8.606 -0.172 1
1 639 . 16 1 1 A 55 55 THR HA H 55 4.951 4.860 0.091 1
1 644 . 16 1 1 A 55 55 THR C C 55 173.695 172.928 0.767 1
1 645 . 16 1 1 A 55 55 THR CA C 55 61.219 61.481 -0.262 1
1 646 . 16 1 1 A 55 55 THR CB C 55 71.454 70.501 0.953 1
1 648 . 16 1 1 A 55 55 THR N N 55 122.255 124.279 -2.024 1
1 9 . 17 1 1 A 2 2 THR H H 2 8.931 8.458 0.473 1
1 10 . 17 1 1 A 2 2 THR HA H 2 4.504 4.779 -0.275 1
1 15 . 17 1 1 A 2 2 THR C C 2 172.828 173.458 -0.630 1
1 16 . 17 1 1 A 2 2 THR CA C 2 63.506 61.717 1.789 1
1 17 . 17 1 1 A 2 2 THR CB C 2 68.833 69.139 -0.306 1
1 19 . 17 1 1 A 2 2 THR N N 2 124.414 115.116 9.298 1
1 20 . 17 1 1 A 3 3 TYR H H 3 9.041 8.952 0.089 1
1 21 . 17 1 1 A 3 3 TYR HA H 3 5.453 5.355 0.098 1
1 26 . 17 1 1 A 3 3 TYR C C 3 174.672 176.314 -1.642 1
1 27 . 17 1 1 A 3 3 TYR CA C 3 57.886 58.452 -0.566 1
1 28 . 17 1 1 A 3 3 TYR CB C 3 42.295 40.139 2.156 1
1 31 . 17 1 1 A 3 3 TYR N N 3 127.469 127.205 0.264 1
1 32 . 17 1 1 A 4 4 LYS H H 4 9.046 8.578 0.468 1
1 33 . 17 1 1 A 4 4 LYS HA H 4 5.547 5.648 -0.101 1
1 40 . 17 1 1 A 4 4 LYS C C 4 173.092 174.846 -1.754 1
1 41 . 17 1 1 A 4 4 LYS CA C 4 55.112 54.880 0.232 1
1 42 . 17 1 1 A 4 4 LYS CB C 4 35.889 36.455 -0.566 1
1 46 . 17 1 1 A 4 4 LYS N N 4 121.164 121.235 -0.071 1
1 47 . 17 1 1 A 5 5 LEU H H 5 9.017 9.721 -0.704 1
1 48 . 17 1 1 A 5 5 LEU HA H 5 5.095 5.545 -0.450 1
1 58 . 17 1 1 A 5 5 LEU C C 5 174.914 174.399 0.515 1
1 59 . 17 1 1 A 5 5 LEU CA C 5 52.648 53.108 -0.460 1
1 60 . 17 1 1 A 5 5 LEU CB C 5 43.729 45.074 -1.345 1
1 63 . 17 1 1 A 5 5 LEU N N 5 126.371 123.831 2.540 1
1 64 . 17 1 1 A 6 6 ILE H H 6 9.129 9.173 -0.044 1
1 65 . 17 1 1 A 6 6 ILE HA H 6 4.502 4.700 -0.198 1
1 70 . 17 1 1 A 6 6 ILE C C 6 174.654 174.453 0.201 1
1 71 . 17 1 1 A 6 6 ILE CA C 6 60.366 60.384 -0.018 1
1 72 . 17 1 1 A 6 6 ILE CB C 6 38.760 38.817 -0.057 1
1 76 . 17 1 1 A 6 6 ILE N N 6 126.264 126.868 -0.604 1
1 77 . 17 1 1 A 7 7 LEU H H 7 8.956 9.085 -0.129 1
1 78 . 17 1 1 A 7 7 LEU HA H 7 4.570 5.075 -0.505 1
1 84 . 17 1 1 A 7 7 LEU C C 7 174.493 175.162 -0.669 1
1 85 . 17 1 1 A 7 7 LEU CA C 7 53.644 53.320 0.324 1
1 86 . 17 1 1 A 7 7 LEU CB C 7 41.339 42.528 -1.189 1
1 89 . 17 1 1 A 7 7 LEU N N 7 126.422 128.443 -2.021 1
1 90 . 17 1 1 A 8 8 ASN H H 8 9.065 8.862 0.203 1
1 91 . 17 1 1 A 8 8 ASN HA H 8 5.181 5.348 -0.167 1
1 96 . 17 1 1 A 8 8 ASN C C 8 174.434 174.140 0.294 1
1 97 . 17 1 1 A 8 8 ASN CA C 8 51.851 51.877 -0.026 1
1 98 . 17 1 1 A 8 8 ASN CB C 8 37.869 40.824 -2.955 1
1 99 . 17 1 1 A 8 8 ASN N N 8 125.633 124.113 1.520 1
1 101 . 17 1 1 A 9 9 LEU H H 9 7.720 8.380 -0.660 1
1 102 . 17 1 1 A 9 9 LEU HA H 9 4.754 5.090 -0.336 1
1 109 . 17 1 1 A 9 9 LEU C C 9 177.207 175.475 1.732 1
1 110 . 17 1 1 A 9 9 LEU CA C 9 53.431 52.376 1.055 1
1 111 . 17 1 1 A 9 9 LEU CB C 9 41.451 44.910 -3.459 1
1 114 . 17 1 1 A 9 9 LEU N N 9 121.516 122.532 -1.016 1
1 115 . 17 1 1 A 10 10 LYS H H 10 9.251 8.492 0.759 1
1 116 . 17 1 1 A 10 10 LYS HA H 10 4.034 4.296 -0.262 1
1 123 . 17 1 1 A 10 10 LYS C C 10 179.205 175.922 3.283 1
1 124 . 17 1 1 A 10 10 LYS CA C 10 59.720 55.438 4.282 1
1 125 . 17 1 1 A 10 10 LYS CB C 10 31.834 30.973 0.861 1
1 128 . 17 1 1 A 10 10 LYS N N 10 120.915 121.024 -0.109 1
1 129 . 17 1 1 A 11 11 GLN H H 11 8.566 8.221 0.345 1
1 130 . 17 1 1 A 11 11 GLN HA H 11 4.447 4.586 -0.139 1
1 137 . 17 1 1 A 11 11 GLN C C 11 175.378 174.537 0.841 1
1 138 . 17 1 1 A 11 11 GLN CA C 11 56.019 57.155 -1.136 1
1 139 . 17 1 1 A 11 11 GLN CB C 11 29.175 31.302 -2.127 1
1 141 . 17 1 1 A 11 11 GLN N N 11 113.391 124.779 -11.388 1
1 143 . 17 1 1 A 12 12 ALA H H 12 7.186 7.564 -0.378 1
1 144 . 17 1 1 A 12 12 ALA HA H 12 4.506 4.678 -0.172 1
1 148 . 17 1 1 A 12 12 ALA C C 12 174.369 174.227 0.142 1
1 149 . 17 1 1 A 12 12 ALA CA C 12 52.485 51.427 1.058 1
1 150 . 17 1 1 A 12 12 ALA CB C 12 21.424 22.657 -1.233 1
1 151 . 17 1 1 A 12 12 ALA N N 12 120.106 119.132 0.974 1
1 152 . 17 1 1 A 13 13 LYS H H 13 8.298 8.572 -0.274 1
1 153 . 17 1 1 A 13 13 LYS HA H 13 5.392 5.171 0.221 1
1 158 . 17 1 1 A 13 13 LYS C C 13 176.285 174.803 1.482 1
1 159 . 17 1 1 A 13 13 LYS CA C 13 55.138 54.663 0.475 1
1 160 . 17 1 1 A 13 13 LYS CB C 13 33.656 34.990 -1.334 1
1 164 . 17 1 1 A 13 13 LYS N N 13 120.804 120.879 -0.075 1
1 165 . 17 1 1 A 14 14 GLU H H 14 8.640 8.662 -0.022 1
1 166 . 17 1 1 A 14 14 GLU HA H 14 4.879 4.923 -0.044 1
1 171 . 17 1 1 A 14 14 GLU C C 14 174.032 175.067 -1.035 1
1 172 . 17 1 1 A 14 14 GLU CA C 14 54.909 54.968 -0.059 1
1 173 . 17 1 1 A 14 14 GLU CB C 14 34.407 32.776 1.631 1
1 175 . 17 1 1 A 14 14 GLU N N 14 123.450 127.837 -4.387 1
1 176 . 17 1 1 A 15 15 GLU H H 15 8.642 8.729 -0.087 1
1 177 . 17 1 1 A 15 15 GLU HA H 15 5.631 4.924 0.707 1
1 182 . 17 1 1 A 15 15 GLU C C 15 175.503 175.518 -0.015 1
1 183 . 17 1 1 A 15 15 GLU CA C 15 54.638 55.011 -0.373 1
1 184 . 17 1 1 A 15 15 GLU CB C 15 34.147 31.742 2.405 1
1 186 . 17 1 1 A 15 15 GLU N N 15 120.056 124.731 -4.675 1
1 187 . 17 1 1 A 16 16 ALA H H 16 9.166 9.478 -0.312 1
1 188 . 17 1 1 A 16 16 ALA HA H 16 4.981 5.768 -0.787 1
1 192 . 17 1 1 A 16 16 ALA C C 16 175.027 176.559 -1.532 1
1 193 . 17 1 1 A 16 16 ALA CA C 16 51.324 50.098 1.226 1
1 194 . 17 1 1 A 16 16 ALA CB C 16 22.552 22.896 -0.344 1
1 195 . 17 1 1 A 16 16 ALA N N 16 124.648 126.374 -1.726 1
1 196 . 17 1 1 A 17 17 ILE H H 17 8.645 9.214 -0.569 1
1 197 . 17 1 1 A 17 17 ILE HA H 17 5.672 5.537 0.135 1
1 207 . 17 1 1 A 17 17 ILE C C 17 175.737 174.502 1.235 1
1 208 . 17 1 1 A 17 17 ILE CA C 17 59.733 59.216 0.517 1
1 209 . 17 1 1 A 17 17 ILE CB C 17 42.219 42.680 -0.461 1
1 213 . 17 1 1 A 17 17 ILE N N 17 116.684 117.460 -0.776 1
1 214 . 17 1 1 A 18 18 LYS H H 18 9.243 8.602 0.641 1
1 215 . 17 1 1 A 18 18 LYS HA H 18 4.548 4.562 -0.014 1
1 222 . 17 1 1 A 18 18 LYS C C 18 174.039 173.953 0.086 1
1 223 . 17 1 1 A 18 18 LYS CA C 18 54.956 55.738 -0.782 1
1 224 . 17 1 1 A 18 18 LYS CB C 18 37.101 36.130 0.971 1
1 228 . 17 1 1 A 18 18 LYS N N 18 123.578 122.024 1.554 1
1 229 . 17 1 1 A 19 19 GLU H H 19 8.812 8.855 -0.043 1
1 230 . 17 1 1 A 19 19 GLU HA H 19 5.184 4.788 0.396 1
1 233 . 17 1 1 A 19 19 GLU C C 19 175.912 175.400 0.512 1
1 234 . 17 1 1 A 19 19 GLU CA C 19 55.340 55.711 -0.371 1
1 235 . 17 1 1 A 19 19 GLU CB C 19 29.224 30.693 -1.469 1
1 237 . 17 1 1 A 19 19 GLU N N 19 129.720 127.410 2.310 1
1 238 . 17 1 1 A 20 20 ALA H H 20 9.425 8.364 1.061 1
1 239 . 17 1 1 A 20 20 ALA HA H 20 4.935 4.987 -0.052 1
1 243 . 17 1 1 A 20 20 ALA C C 20 177.376 177.982 -0.606 1
1 244 . 17 1 1 A 20 20 ALA CA C 20 51.128 50.979 0.149 1
1 245 . 17 1 1 A 20 20 ALA CB C 20 23.405 22.453 0.952 1
1 246 . 17 1 1 A 20 20 ALA N N 20 127.622 129.662 -2.040 1
1 247 . 17 1 1 A 21 21 VAL H H 21 8.620 8.782 -0.162 1
1 248 . 17 1 1 A 21 21 VAL HA H 21 4.262 3.865 0.397 1
1 253 . 17 1 1 A 21 21 VAL C C 21 175.539 176.082 -0.543 1
1 254 . 17 1 1 A 21 21 VAL CA C 21 63.598 65.099 -1.501 1
1 255 . 17 1 1 A 21 21 VAL CB C 21 31.839 31.769 0.070 1
1 257 . 17 1 1 A 21 21 VAL N N 21 115.529 120.690 -5.161 1
1 258 . 17 1 1 A 22 22 ASP H H 22 7.405 8.059 -0.654 1
1 259 . 17 1 1 A 22 22 ASP HA H 22 4.946 5.023 -0.077 1
1 262 . 17 1 1 A 22 22 ASP C C 22 174.734 176.087 -1.353 1
1 263 . 17 1 1 A 22 22 ASP CA C 22 52.601 51.910 0.691 1
1 264 . 17 1 1 A 22 22 ASP CB C 22 42.748 42.025 0.723 1
1 265 . 17 1 1 A 22 22 ASP N N 22 115.513 120.180 -4.667 1
1 266 . 17 1 1 A 23 23 ALA H H 23 8.614 8.173 0.441 1
1 267 . 17 1 1 A 23 23 ALA HA H 23 3.294 3.602 -0.308 1
1 271 . 17 1 1 A 23 23 ALA C C 23 179.849 178.946 0.903 1
1 272 . 17 1 1 A 23 23 ALA CA C 23 54.858 52.633 2.225 1
1 273 . 17 1 1 A 23 23 ALA CB C 23 17.424 19.537 -2.113 1
1 274 . 17 1 1 A 23 23 ALA N N 23 121.829 120.898 0.931 1
1 275 . 17 1 1 A 24 24 GLY H H 24 8.555 8.453 0.102 1
1 276 . 17 1 1 A 24 24 GLY HA2 H 24 3.851 3.788 0.063 1
1 277 . 17 1 1 A 24 24 GLY HA3 H 24 3.851 3.802 0.049 1
1 278 . 17 1 1 A 24 24 GLY C C 24 177.142 176.675 0.467 1
1 279 . 17 1 1 A 24 24 GLY CA C 24 46.839 46.879 -0.040 1
1 280 . 17 1 1 A 24 24 GLY N N 24 106.435 106.761 -0.326 1
1 281 . 17 1 1 A 25 25 THR H H 25 8.241 7.628 0.613 1
1 282 . 17 1 1 A 25 25 THR HA H 25 4.063 4.042 0.021 1
1 287 . 17 1 1 A 25 25 THR C C 25 177.054 176.133 0.921 1
1 288 . 17 1 1 A 25 25 THR CA C 25 66.635 65.236 1.399 1
1 289 . 17 1 1 A 25 25 THR CB C 25 68.068 68.617 -0.549 1
1 291 . 17 1 1 A 25 25 THR N N 25 119.981 117.554 2.427 1
1 292 . 17 1 1 A 26 26 ALA H H 26 7.100 8.015 -0.915 1
1 293 . 17 1 1 A 26 26 ALA HA H 26 3.364 3.717 -0.353 1
1 297 . 17 1 1 A 26 26 ALA C C 26 177.098 179.075 -1.977 1
1 298 . 17 1 1 A 26 26 ALA CA C 26 55.502 54.731 0.771 1
1 299 . 17 1 1 A 26 26 ALA CB C 26 17.127 17.851 -0.724 1
1 300 . 17 1 1 A 26 26 ALA N N 26 124.535 123.815 0.720 1
1 301 . 17 1 1 A 27 27 GLU H H 27 8.739 8.471 0.268 1
1 302 . 17 1 1 A 27 27 GLU HA H 27 2.941 3.914 -0.973 1
1 307 . 17 1 1 A 27 27 GLU C C 27 177.368 178.469 -1.101 1
1 308 . 17 1 1 A 27 27 GLU CA C 27 60.190 59.629 0.561 1
1 309 . 17 1 1 A 27 27 GLU CB C 27 29.225 29.041 0.184 1
1 311 . 17 1 1 A 27 27 GLU N N 27 118.116 118.758 -0.642 1
1 312 . 17 1 1 A 28 28 LYS H H 28 7.333 7.580 -0.247 1
1 313 . 17 1 1 A 28 28 LYS HA H 28 3.764 4.058 -0.294 1
1 320 . 17 1 1 A 28 28 LYS C C 28 178.993 178.499 0.494 1
1 321 . 17 1 1 A 28 28 LYS CA C 28 59.881 58.803 1.078 1
1 322 . 17 1 1 A 28 28 LYS CB C 28 32.382 32.062 0.320 1
1 324 . 17 1 1 A 28 28 LYS N N 28 116.088 118.435 -2.347 1
1 325 . 17 1 1 A 29 29 TYR H H 29 7.016 7.846 -0.830 1
1 326 . 17 1 1 A 29 29 TYR HA H 29 4.273 4.201 0.072 1
1 333 . 17 1 1 A 29 29 TYR C C 29 177.581 177.512 0.069 1
1 334 . 17 1 1 A 29 29 TYR CA C 29 61.050 61.516 -0.466 1
1 335 . 17 1 1 A 29 29 TYR CB C 29 37.860 38.343 -0.483 1
1 340 . 17 1 1 A 29 29 TYR N N 29 119.155 121.359 -2.204 1
1 341 . 17 1 1 A 30 30 PHE H H 30 8.775 8.532 0.243 1
1 342 . 17 1 1 A 30 30 PHE HA H 30 4.619 4.134 0.485 1
1 349 . 17 1 1 A 30 30 PHE C C 30 178.612 177.890 0.722 1
1 350 . 17 1 1 A 30 30 PHE CA C 30 57.312 62.453 -5.141 1
1 351 . 17 1 1 A 30 30 PHE CB C 30 37.667 38.472 -0.805 1
1 356 . 17 1 1 A 30 30 PHE N N 30 118.969 118.892 0.077 1
1 357 . 17 1 1 A 31 31 LYS H H 31 8.977 8.823 0.154 1
1 358 . 17 1 1 A 31 31 LYS HA H 31 4.141 4.345 -0.204 1
1 363 . 17 1 1 A 31 31 LYS C C 31 178.781 178.938 -0.157 1
1 364 . 17 1 1 A 31 31 LYS CA C 31 59.878 59.510 0.368 1
1 365 . 17 1 1 A 31 31 LYS CB C 31 31.707 32.254 -0.547 1
1 367 . 17 1 1 A 31 31 LYS N N 31 121.474 120.718 0.756 1
1 368 . 17 1 1 A 32 32 LEU H H 32 7.215 7.689 -0.474 1
1 369 . 17 1 1 A 32 32 LEU HA H 32 4.179 4.076 0.103 1
1 376 . 17 1 1 A 32 32 LEU C C 32 180.639 179.331 1.308 1
1 377 . 17 1 1 A 32 32 LEU CA C 32 57.933 57.553 0.380 1
1 378 . 17 1 1 A 32 32 LEU CB C 32 41.283 41.657 -0.374 1
1 381 . 17 1 1 A 32 32 LEU N N 32 118.836 119.396 -0.560 1
1 382 . 17 1 1 A 33 33 ILE H H 33 7.397 7.517 -0.120 1
1 383 . 17 1 1 A 33 33 ILE HA H 33 3.896 3.881 0.015 1
1 388 . 17 1 1 A 33 33 ILE C C 33 178.546 177.882 0.664 1
1 389 . 17 1 1 A 33 33 ILE CA C 33 63.892 63.580 0.312 1
1 390 . 17 1 1 A 33 33 ILE CB C 33 37.582 37.766 -0.184 1
1 393 . 17 1 1 A 33 33 ILE N N 33 118.838 119.633 -0.795 1
1 394 . 17 1 1 A 34 34 ALA H H 34 8.593 8.568 0.025 1
1 395 . 17 1 1 A 34 34 ALA HA H 34 3.984 3.998 -0.014 1
1 399 . 17 1 1 A 34 34 ALA C C 34 179.571 180.369 -0.798 1
1 400 . 17 1 1 A 34 34 ALA CA C 34 55.141 55.710 -0.569 1
1 401 . 17 1 1 A 34 34 ALA CB C 34 18.671 18.726 -0.055 1
1 402 . 17 1 1 A 34 34 ALA N N 34 121.471 124.035 -2.564 1
1 403 . 17 1 1 A 35 35 ASN H H 35 8.503 8.319 0.184 1
1 404 . 17 1 1 A 35 35 ASN HA H 35 4.707 4.780 -0.073 1
1 409 . 17 1 1 A 35 35 ASN C C 35 177.434 177.296 0.138 1
1 410 . 17 1 1 A 35 35 ASN CA C 35 55.732 56.051 -0.319 1
1 411 . 17 1 1 A 35 35 ASN CB C 35 38.224 38.122 0.102 1
1 412 . 17 1 1 A 35 35 ASN N N 35 116.283 116.700 -0.417 1
1 414 . 17 1 1 A 36 36 ALA H H 36 7.610 7.445 0.165 1
1 415 . 17 1 1 A 36 36 ALA HA H 36 4.363 4.038 0.325 1
1 419 . 17 1 1 A 36 36 ALA C C 36 178.715 178.527 0.188 1
1 420 . 17 1 1 A 36 36 ALA CA C 36 54.004 54.432 -0.428 1
1 421 . 17 1 1 A 36 36 ALA CB C 36 19.224 18.300 0.924 1
1 422 . 17 1 1 A 36 36 ALA N N 36 120.620 121.843 -1.223 1
1 423 . 17 1 1 A 37 37 LYS H H 37 7.673 7.787 -0.114 1
1 424 . 17 1 1 A 37 37 LYS HA H 37 4.436 4.282 0.154 1
1 431 . 17 1 1 A 37 37 LYS C C 37 175.876 176.673 -0.797 1
1 432 . 17 1 1 A 37 37 LYS CA C 37 56.284 57.133 -0.849 1
1 433 . 17 1 1 A 37 37 LYS CB C 37 34.026 34.023 0.003 1
1 437 . 17 1 1 A 37 37 LYS N N 37 116.344 114.645 1.699 1
1 438 . 17 1 1 A 38 38 THR H H 38 8.122 8.595 -0.473 1
1 439 . 17 1 1 A 38 38 THR HA H 38 4.409 4.862 -0.453 1
1 444 . 17 1 1 A 38 38 THR C C 38 172.766 173.377 -0.611 1
1 445 . 17 1 1 A 38 38 THR CA C 38 61.468 60.712 0.756 1
1 446 . 17 1 1 A 38 38 THR CB C 38 69.124 72.143 -3.019 1
1 448 . 17 1 1 A 38 38 THR N N 38 113.585 110.072 3.513 1
1 449 . 17 1 1 A 39 39 VAL H H 39 8.254 8.136 0.118 1
1 450 . 17 1 1 A 39 39 VAL HA H 39 4.399 4.444 -0.045 1
1 455 . 17 1 1 A 39 39 VAL C C 39 176.183 174.423 1.760 1
1 456 . 17 1 1 A 39 39 VAL CA C 39 62.431 61.099 1.332 1
1 457 . 17 1 1 A 39 39 VAL CB C 39 32.795 32.142 0.653 1
1 459 . 17 1 1 A 39 39 VAL N N 39 120.756 120.351 0.405 1
1 460 . 17 1 1 A 40 40 GLU H H 40 8.732 7.727 1.005 1
1 461 . 17 1 1 A 40 40 GLU HA H 40 4.711 4.776 -0.065 1
1 464 . 17 1 1 A 40 40 GLU C C 40 175.571 175.153 0.418 1
1 465 . 17 1 1 A 40 40 GLU CA C 40 55.569 56.072 -0.503 1
1 466 . 17 1 1 A 40 40 GLU CB C 40 30.469 32.679 -2.210 1
1 468 . 17 1 1 A 40 40 GLU N N 40 124.791 122.759 2.032 1
1 469 . 17 1 1 A 41 41 GLY H H 41 8.145 8.403 -0.258 1
1 470 . 17 1 1 A 41 41 GLY HA2 H 41 4.236 4.141 0.095 1
1 471 . 17 1 1 A 41 41 GLY HA3 H 41 3.589 4.156 -0.567 1
1 472 . 17 1 1 A 41 41 GLY C C 41 172.517 171.584 0.933 1
1 473 . 17 1 1 A 41 41 GLY CA C 41 45.203 45.773 -0.570 1
1 474 . 17 1 1 A 41 41 GLY N N 41 107.758 112.256 -4.498 1
1 475 . 17 1 1 A 42 42 VAL H H 42 8.490 8.679 -0.189 1
1 476 . 17 1 1 A 42 42 VAL HA H 42 4.525 4.695 -0.170 1
1 481 . 17 1 1 A 42 42 VAL C C 42 176.739 176.092 0.647 1
1 482 . 17 1 1 A 42 42 VAL CA C 42 62.354 61.644 0.710 1
1 483 . 17 1 1 A 42 42 VAL CB C 42 33.355 32.574 0.781 1
1 485 . 17 1 1 A 42 42 VAL N N 42 121.959 120.102 1.857 1
1 486 . 17 1 1 A 43 43 TRP H H 43 9.465 9.058 0.407 1
1 487 . 17 1 1 A 43 43 TRP HA H 43 5.375 5.353 0.022 1
1 495 . 17 1 1 A 43 43 TRP C C 43 177.127 176.556 0.571 1
1 496 . 17 1 1 A 43 43 TRP CA C 43 58.056 57.549 0.507 1
1 497 . 17 1 1 A 43 43 TRP CB C 43 29.740 30.787 -1.047 1
1 502 . 17 1 1 A 43 43 TRP N N 43 130.804 129.133 1.671 1
1 504 . 17 1 1 A 44 44 THR H H 44 9.380 8.532 0.848 1
1 505 . 17 1 1 A 44 44 THR HA H 44 4.908 5.332 -0.424 1
1 510 . 17 1 1 A 44 44 THR C C 44 172.803 172.721 0.082 1
1 511 . 17 1 1 A 44 44 THR CA C 44 61.075 60.703 0.372 1
1 512 . 17 1 1 A 44 44 THR CB C 44 72.681 72.317 0.364 1
1 514 . 17 1 1 A 44 44 THR N N 44 115.117 113.791 1.326 1
1 515 . 17 1 1 A 45 45 TYR H H 45 8.773 8.972 -0.199 1
1 516 . 17 1 1 A 45 45 TYR HA H 45 5.143 5.623 -0.480 1
1 521 . 17 1 1 A 45 45 TYR C C 45 174.047 173.747 0.300 1
1 522 . 17 1 1 A 45 45 TYR CA C 45 57.154 56.991 0.163 1
1 523 . 17 1 1 A 45 45 TYR CB C 45 41.212 42.461 -1.249 1
1 526 . 17 1 1 A 45 45 TYR N N 45 121.946 123.116 -1.170 1
1 527 . 17 1 1 A 46 46 LYS H H 46 7.505 8.037 -0.532 1
1 528 . 17 1 1 A 46 46 LYS HA H 46 4.457 4.738 -0.281 1
1 533 . 17 1 1 A 46 46 LYS C C 46 175.444 174.545 0.899 1
1 534 . 17 1 1 A 46 46 LYS CA C 46 53.992 53.912 0.080 1
1 535 . 17 1 1 A 46 46 LYS CB C 46 33.875 35.434 -1.559 1
1 539 . 17 1 1 A 46 46 LYS N N 46 128.658 126.568 2.090 1
1 540 . 17 1 1 A 47 47 ASP H H 47 8.807 8.633 0.174 1
1 541 . 17 1 1 A 47 47 ASP HA H 47 4.135 4.677 -0.542 1
1 544 . 17 1 1 A 47 47 ASP C C 47 179.380 176.593 2.787 1
1 545 . 17 1 1 A 47 47 ASP CA C 47 57.464 53.143 4.321 1
1 546 . 17 1 1 A 47 47 ASP CB C 47 42.288 42.406 -0.118 1
1 547 . 17 1 1 A 47 47 ASP N N 47 126.643 123.579 3.064 1
1 548 . 17 1 1 A 48 48 GLU H H 48 9.909 8.858 1.051 1
1 549 . 17 1 1 A 48 48 GLU HA H 48 4.172 3.945 0.227 1
1 554 . 17 1 1 A 48 48 GLU C C 48 177.317 175.836 1.481 1
1 555 . 17 1 1 A 48 48 GLU CA C 48 59.979 58.846 1.133 1
1 556 . 17 1 1 A 48 48 GLU CB C 48 28.699 27.452 1.247 1
1 558 . 17 1 1 A 48 48 GLU N N 48 118.400 117.872 0.528 1
1 559 . 17 1 1 A 49 49 ILE H H 49 6.510 7.479 -0.969 1
1 560 . 17 1 1 A 49 49 ILE HA H 49 4.697 4.362 0.335 1
1 568 . 17 1 1 A 49 49 ILE C C 49 175.868 175.374 0.494 1
1 569 . 17 1 1 A 49 49 ILE CA C 49 60.318 60.043 0.275 1
1 570 . 17 1 1 A 49 49 ILE CB C 49 38.324 39.388 -1.064 1
1 574 . 17 1 1 A 49 49 ILE N N 49 105.782 112.419 -6.637 1
1 575 . 17 1 1 A 50 50 LYS H H 50 7.991 7.738 0.253 1
1 576 . 17 1 1 A 50 50 LYS HA H 50 4.336 3.856 0.480 1
1 581 . 17 1 1 A 50 50 LYS C C 50 174.829 175.237 -0.408 1
1 582 . 17 1 1 A 50 50 LYS CA C 50 55.959 56.771 -0.812 1
1 583 . 17 1 1 A 50 50 LYS CB C 50 29.232 30.830 -1.598 1
1 585 . 17 1 1 A 50 50 LYS N N 50 124.329 118.052 6.277 1
1 586 . 17 1 1 A 51 51 THR H H 51 7.174 6.672 0.502 1
1 587 . 17 1 1 A 51 51 THR HA H 51 5.774 5.276 0.498 1
1 592 . 17 1 1 A 51 51 THR C C 51 173.893 172.426 1.467 1
1 593 . 17 1 1 A 51 51 THR CA C 51 62.217 59.905 2.312 1
1 594 . 17 1 1 A 51 51 THR CB C 51 73.248 71.745 1.503 1
1 596 . 17 1 1 A 51 51 THR N N 51 109.849 110.804 -0.955 1
1 597 . 17 1 1 A 52 52 PHE H H 52 10.338 9.241 1.097 1
1 598 . 17 1 1 A 52 52 PHE HA H 52 5.693 5.955 -0.262 1
1 605 . 17 1 1 A 52 52 PHE C C 52 174.361 175.149 -0.788 1
1 606 . 17 1 1 A 52 52 PHE CA C 52 57.260 56.644 0.616 1
1 607 . 17 1 1 A 52 52 PHE CB C 52 42.130 42.277 -0.147 1
1 612 . 17 1 1 A 52 52 PHE N N 52 130.662 120.680 9.982 1
1 613 . 17 1 1 A 53 53 THR H H 53 9.262 9.303 -0.041 1
1 614 . 17 1 1 A 53 53 THR HA H 53 5.288 4.858 0.430 1
1 619 . 17 1 1 A 53 53 THR C C 53 172.678 173.257 -0.579 1
1 620 . 17 1 1 A 53 53 THR CA C 53 61.511 61.104 0.407 1
1 621 . 17 1 1 A 53 53 THR CB C 53 70.861 72.286 -1.425 1
1 623 . 17 1 1 A 53 53 THR N N 53 118.205 114.950 3.255 1
1 624 . 17 1 1 A 54 54 VAL H H 54 8.628 8.821 -0.193 1
1 625 . 17 1 1 A 54 54 VAL HA H 54 4.599 4.938 -0.339 1
1 633 . 17 1 1 A 54 54 VAL C C 54 174.090 174.159 -0.069 1
1 634 . 17 1 1 A 54 54 VAL CA C 54 59.646 60.158 -0.512 1
1 635 . 17 1 1 A 54 54 VAL CB C 54 32.737 33.686 -0.949 1
1 637 . 17 1 1 A 54 54 VAL N N 54 125.183 122.978 2.205 1
1 638 . 17 1 1 A 55 55 THR H H 55 8.434 8.640 -0.206 1
1 639 . 17 1 1 A 55 55 THR HA H 55 4.951 4.881 0.070 1
1 644 . 17 1 1 A 55 55 THR C C 55 173.695 172.934 0.761 1
1 645 . 17 1 1 A 55 55 THR CA C 55 61.219 61.589 -0.370 1
1 646 . 17 1 1 A 55 55 THR CB C 55 71.454 69.950 1.504 1
1 648 . 17 1 1 A 55 55 THR N N 55 122.255 124.051 -1.796 1
1 9 . 18 1 1 A 2 2 THR H H 2 8.931 8.429 0.502 1
1 10 . 18 1 1 A 2 2 THR HA H 2 4.504 5.231 -0.727 1
1 15 . 18 1 1 A 2 2 THR C C 2 172.828 172.163 0.665 1
1 16 . 18 1 1 A 2 2 THR CA C 2 63.506 59.535 3.971 1
1 17 . 18 1 1 A 2 2 THR CB C 2 68.833 71.249 -2.416 1
1 19 . 18 1 1 A 2 2 THR N N 2 124.414 115.027 9.387 1
1 20 . 18 1 1 A 3 3 TYR H H 3 9.041 9.041 0.000 1
1 21 . 18 1 1 A 3 3 TYR HA H 3 5.453 5.774 -0.321 1
1 26 . 18 1 1 A 3 3 TYR C C 3 174.672 175.571 -0.899 1
1 27 . 18 1 1 A 3 3 TYR CA C 3 57.886 56.389 1.497 1
1 28 . 18 1 1 A 3 3 TYR CB C 3 42.295 43.137 -0.842 1
1 31 . 18 1 1 A 3 3 TYR N N 3 127.469 126.111 1.358 1
1 32 . 18 1 1 A 4 4 LYS H H 4 9.046 8.701 0.345 1
1 33 . 18 1 1 A 4 4 LYS HA H 4 5.547 5.710 -0.163 1
1 40 . 18 1 1 A 4 4 LYS C C 4 173.092 175.120 -2.028 1
1 41 . 18 1 1 A 4 4 LYS CA C 4 55.112 55.034 0.078 1
1 42 . 18 1 1 A 4 4 LYS CB C 4 35.889 36.644 -0.755 1
1 46 . 18 1 1 A 4 4 LYS N N 4 121.164 121.168 -0.004 1
1 47 . 18 1 1 A 5 5 LEU H H 5 9.017 9.548 -0.531 1
1 48 . 18 1 1 A 5 5 LEU HA H 5 5.095 5.566 -0.471 1
1 58 . 18 1 1 A 5 5 LEU C C 5 174.914 174.291 0.623 1
1 59 . 18 1 1 A 5 5 LEU CA C 5 52.648 53.820 -1.172 1
1 60 . 18 1 1 A 5 5 LEU CB C 5 43.729 44.991 -1.262 1
1 63 . 18 1 1 A 5 5 LEU N N 5 126.371 123.964 2.407 1
1 64 . 18 1 1 A 6 6 ILE H H 6 9.129 9.351 -0.222 1
1 65 . 18 1 1 A 6 6 ILE HA H 6 4.502 4.671 -0.169 1
1 70 . 18 1 1 A 6 6 ILE C C 6 174.654 174.385 0.269 1
1 71 . 18 1 1 A 6 6 ILE CA C 6 60.366 60.212 0.154 1
1 72 . 18 1 1 A 6 6 ILE CB C 6 38.760 38.559 0.201 1
1 76 . 18 1 1 A 6 6 ILE N N 6 126.264 127.189 -0.925 1
1 77 . 18 1 1 A 7 7 LEU H H 7 8.956 9.370 -0.414 1
1 78 . 18 1 1 A 7 7 LEU HA H 7 4.570 4.990 -0.420 1
1 84 . 18 1 1 A 7 7 LEU C C 7 174.493 175.444 -0.951 1
1 85 . 18 1 1 A 7 7 LEU CA C 7 53.644 53.372 0.272 1
1 86 . 18 1 1 A 7 7 LEU CB C 7 41.339 42.995 -1.656 1
1 89 . 18 1 1 A 7 7 LEU N N 7 126.422 128.708 -2.286 1
1 90 . 18 1 1 A 8 8 ASN H H 8 9.065 9.145 -0.080 1
1 91 . 18 1 1 A 8 8 ASN HA H 8 5.181 5.268 -0.087 1
1 96 . 18 1 1 A 8 8 ASN C C 8 174.434 174.145 0.289 1
1 97 . 18 1 1 A 8 8 ASN CA C 8 51.851 51.952 -0.101 1
1 98 . 18 1 1 A 8 8 ASN CB C 8 37.869 40.558 -2.689 1
1 99 . 18 1 1 A 8 8 ASN N N 8 125.633 124.152 1.481 1
1 101 . 18 1 1 A 9 9 LEU H H 9 7.720 8.384 -0.664 1
1 102 . 18 1 1 A 9 9 LEU HA H 9 4.754 5.092 -0.338 1
1 109 . 18 1 1 A 9 9 LEU C C 9 177.207 175.395 1.812 1
1 110 . 18 1 1 A 9 9 LEU CA C 9 53.431 52.441 0.990 1
1 111 . 18 1 1 A 9 9 LEU CB C 9 41.451 44.790 -3.339 1
1 114 . 18 1 1 A 9 9 LEU N N 9 121.516 122.256 -0.740 1
1 115 . 18 1 1 A 10 10 LYS H H 10 9.251 8.487 0.764 1
1 116 . 18 1 1 A 10 10 LYS HA H 10 4.034 4.311 -0.277 1
1 123 . 18 1 1 A 10 10 LYS C C 10 179.205 176.396 2.809 1
1 124 . 18 1 1 A 10 10 LYS CA C 10 59.720 55.517 4.203 1
1 125 . 18 1 1 A 10 10 LYS CB C 10 31.834 30.921 0.913 1
1 128 . 18 1 1 A 10 10 LYS N N 10 120.915 121.227 -0.312 1
1 129 . 18 1 1 A 11 11 GLN H H 11 8.566 7.794 0.772 1
1 130 . 18 1 1 A 11 11 GLN HA H 11 4.447 4.543 -0.096 1
1 137 . 18 1 1 A 11 11 GLN C C 11 175.378 175.273 0.105 1
1 138 . 18 1 1 A 11 11 GLN CA C 11 56.019 56.644 -0.625 1
1 139 . 18 1 1 A 11 11 GLN CB C 11 29.175 31.920 -2.745 1
1 141 . 18 1 1 A 11 11 GLN N N 11 113.391 121.839 -8.448 1
1 143 . 18 1 1 A 12 12 ALA H H 12 7.186 7.578 -0.392 1
1 144 . 18 1 1 A 12 12 ALA HA H 12 4.506 4.531 -0.025 1
1 148 . 18 1 1 A 12 12 ALA C C 12 174.369 175.131 -0.762 1
1 149 . 18 1 1 A 12 12 ALA CA C 12 52.485 51.309 1.176 1
1 150 . 18 1 1 A 12 12 ALA CB C 12 21.424 21.849 -0.425 1
1 151 . 18 1 1 A 12 12 ALA N N 12 120.106 117.781 2.325 1
1 152 . 18 1 1 A 13 13 LYS H H 13 8.298 8.414 -0.116 1
1 153 . 18 1 1 A 13 13 LYS HA H 13 5.392 5.165 0.227 1
1 158 . 18 1 1 A 13 13 LYS C C 13 176.285 174.717 1.568 1
1 159 . 18 1 1 A 13 13 LYS CA C 13 55.138 54.998 0.140 1
1 160 . 18 1 1 A 13 13 LYS CB C 13 33.656 36.462 -2.806 1
1 164 . 18 1 1 A 13 13 LYS N N 13 120.804 118.454 2.350 1
1 165 . 18 1 1 A 14 14 GLU H H 14 8.640 8.618 0.022 1
1 166 . 18 1 1 A 14 14 GLU HA H 14 4.879 5.148 -0.269 1
1 171 . 18 1 1 A 14 14 GLU C C 14 174.032 175.038 -1.006 1
1 172 . 18 1 1 A 14 14 GLU CA C 14 54.909 54.589 0.320 1
1 173 . 18 1 1 A 14 14 GLU CB C 14 34.407 33.432 0.975 1
1 175 . 18 1 1 A 14 14 GLU N N 14 123.450 123.048 0.402 1
1 176 . 18 1 1 A 15 15 GLU H H 15 8.642 8.938 -0.296 1
1 177 . 18 1 1 A 15 15 GLU HA H 15 5.631 5.021 0.610 1
1 182 . 18 1 1 A 15 15 GLU C C 15 175.503 175.198 0.305 1
1 183 . 18 1 1 A 15 15 GLU CA C 15 54.638 54.803 -0.165 1
1 184 . 18 1 1 A 15 15 GLU CB C 15 34.147 32.438 1.709 1
1 186 . 18 1 1 A 15 15 GLU N N 15 120.056 123.136 -3.080 1
1 187 . 18 1 1 A 16 16 ALA H H 16 9.166 9.162 0.004 1
1 188 . 18 1 1 A 16 16 ALA HA H 16 4.981 5.555 -0.574 1
1 192 . 18 1 1 A 16 16 ALA C C 16 175.027 176.268 -1.241 1
1 193 . 18 1 1 A 16 16 ALA CA C 16 51.324 49.989 1.335 1
1 194 . 18 1 1 A 16 16 ALA CB C 16 22.552 21.848 0.704 1
1 195 . 18 1 1 A 16 16 ALA N N 16 124.648 126.200 -1.552 1
1 196 . 18 1 1 A 17 17 ILE H H 17 8.645 9.057 -0.412 1
1 197 . 18 1 1 A 17 17 ILE HA H 17 5.672 5.544 0.128 1
1 207 . 18 1 1 A 17 17 ILE C C 17 175.737 174.398 1.339 1
1 208 . 18 1 1 A 17 17 ILE CA C 17 59.733 59.204 0.529 1
1 209 . 18 1 1 A 17 17 ILE CB C 17 42.219 42.747 -0.528 1
1 213 . 18 1 1 A 17 17 ILE N N 17 116.684 117.703 -1.019 1
1 214 . 18 1 1 A 18 18 LYS H H 18 9.243 8.589 0.654 1
1 215 . 18 1 1 A 18 18 LYS HA H 18 4.548 4.710 -0.162 1
1 222 . 18 1 1 A 18 18 LYS C C 18 174.039 174.439 -0.400 1
1 223 . 18 1 1 A 18 18 LYS CA C 18 54.956 55.817 -0.861 1
1 224 . 18 1 1 A 18 18 LYS CB C 18 37.101 36.533 0.568 1
1 228 . 18 1 1 A 18 18 LYS N N 18 123.578 122.741 0.837 1
1 229 . 18 1 1 A 19 19 GLU H H 19 8.812 8.606 0.206 1
1 230 . 18 1 1 A 19 19 GLU HA H 19 5.184 5.082 0.102 1
1 233 . 18 1 1 A 19 19 GLU C C 19 175.912 175.914 -0.002 1
1 234 . 18 1 1 A 19 19 GLU CA C 19 55.340 55.770 -0.430 1
1 235 . 18 1 1 A 19 19 GLU CB C 19 29.224 30.759 -1.535 1
1 237 . 18 1 1 A 19 19 GLU N N 19 129.720 125.118 4.602 1
1 238 . 18 1 1 A 20 20 ALA H H 20 9.425 8.473 0.952 1
1 239 . 18 1 1 A 20 20 ALA HA H 20 4.935 4.830 0.105 1
1 243 . 18 1 1 A 20 20 ALA C C 20 177.376 177.726 -0.350 1
1 244 . 18 1 1 A 20 20 ALA CA C 20 51.128 50.582 0.546 1
1 245 . 18 1 1 A 20 20 ALA CB C 20 23.405 22.872 0.533 1
1 246 . 18 1 1 A 20 20 ALA N N 20 127.622 126.574 1.048 1
1 247 . 18 1 1 A 21 21 VAL H H 21 8.620 8.431 0.189 1
1 248 . 18 1 1 A 21 21 VAL HA H 21 4.262 3.950 0.312 1
1 253 . 18 1 1 A 21 21 VAL C C 21 175.539 175.252 0.287 1
1 254 . 18 1 1 A 21 21 VAL CA C 21 63.598 65.156 -1.558 1
1 255 . 18 1 1 A 21 21 VAL CB C 21 31.839 31.964 -0.125 1
1 257 . 18 1 1 A 21 21 VAL N N 21 115.529 118.928 -3.399 1
1 258 . 18 1 1 A 22 22 ASP H H 22 7.405 7.955 -0.550 1
1 259 . 18 1 1 A 22 22 ASP HA H 22 4.946 5.020 -0.074 1
1 262 . 18 1 1 A 22 22 ASP C C 22 174.734 176.396 -1.662 1
1 263 . 18 1 1 A 22 22 ASP CA C 22 52.601 51.928 0.673 1
1 264 . 18 1 1 A 22 22 ASP CB C 22 42.748 42.634 0.114 1
1 265 . 18 1 1 A 22 22 ASP N N 22 115.513 117.140 -1.627 1
1 266 . 18 1 1 A 23 23 ALA H H 23 8.614 8.574 0.040 1
1 267 . 18 1 1 A 23 23 ALA HA H 23 3.294 3.311 -0.017 1
1 271 . 18 1 1 A 23 23 ALA C C 23 179.849 179.180 0.669 1
1 272 . 18 1 1 A 23 23 ALA CA C 23 54.858 53.965 0.893 1
1 273 . 18 1 1 A 23 23 ALA CB C 23 17.424 19.028 -1.604 1
1 274 . 18 1 1 A 23 23 ALA N N 23 121.829 120.638 1.191 1
1 275 . 18 1 1 A 24 24 GLY H H 24 8.555 8.288 0.267 1
1 276 . 18 1 1 A 24 24 GLY HA2 H 24 3.851 3.834 0.017 1
1 277 . 18 1 1 A 24 24 GLY HA3 H 24 3.851 3.867 -0.016 1
1 278 . 18 1 1 A 24 24 GLY C C 24 177.142 176.521 0.621 1
1 279 . 18 1 1 A 24 24 GLY CA C 24 46.839 46.802 0.037 1
1 280 . 18 1 1 A 24 24 GLY N N 24 106.435 106.036 0.399 1
1 281 . 18 1 1 A 25 25 THR H H 25 8.241 7.557 0.684 1
1 282 . 18 1 1 A 25 25 THR HA H 25 4.063 4.063 0.000 1
1 287 . 18 1 1 A 25 25 THR C C 25 177.054 175.643 1.411 1
1 288 . 18 1 1 A 25 25 THR CA C 25 66.635 65.135 1.500 1
1 289 . 18 1 1 A 25 25 THR CB C 25 68.068 68.638 -0.570 1
1 291 . 18 1 1 A 25 25 THR N N 25 119.981 117.557 2.424 1
1 292 . 18 1 1 A 26 26 ALA H H 26 7.100 7.939 -0.839 1
1 293 . 18 1 1 A 26 26 ALA HA H 26 3.364 3.697 -0.333 1
1 297 . 18 1 1 A 26 26 ALA C C 26 177.098 178.988 -1.890 1
1 298 . 18 1 1 A 26 26 ALA CA C 26 55.502 54.654 0.848 1
1 299 . 18 1 1 A 26 26 ALA CB C 26 17.127 17.370 -0.243 1
1 300 . 18 1 1 A 26 26 ALA N N 26 124.535 123.677 0.858 1
1 301 . 18 1 1 A 27 27 GLU H H 27 8.739 8.278 0.461 1
1 302 . 18 1 1 A 27 27 GLU HA H 27 2.941 3.808 -0.867 1
1 307 . 18 1 1 A 27 27 GLU C C 27 177.368 178.653 -1.285 1
1 308 . 18 1 1 A 27 27 GLU CA C 27 60.190 59.423 0.767 1
1 309 . 18 1 1 A 27 27 GLU CB C 27 29.225 29.086 0.139 1
1 311 . 18 1 1 A 27 27 GLU N N 27 118.116 118.256 -0.140 1
1 312 . 18 1 1 A 28 28 LYS H H 28 7.333 7.613 -0.280 1
1 313 . 18 1 1 A 28 28 LYS HA H 28 3.764 4.059 -0.295 1
1 320 . 18 1 1 A 28 28 LYS C C 28 178.993 178.480 0.513 1
1 321 . 18 1 1 A 28 28 LYS CA C 28 59.881 58.741 1.140 1
1 322 . 18 1 1 A 28 28 LYS CB C 28 32.382 32.099 0.283 1
1 324 . 18 1 1 A 28 28 LYS N N 28 116.088 118.236 -2.148 1
1 325 . 18 1 1 A 29 29 TYR H H 29 7.016 7.942 -0.926 1
1 326 . 18 1 1 A 29 29 TYR HA H 29 4.273 4.323 -0.050 1
1 333 . 18 1 1 A 29 29 TYR C C 29 177.581 177.771 -0.190 1
1 334 . 18 1 1 A 29 29 TYR CA C 29 61.050 61.286 -0.236 1
1 335 . 18 1 1 A 29 29 TYR CB C 29 37.860 38.272 -0.412 1
1 340 . 18 1 1 A 29 29 TYR N N 29 119.155 122.311 -3.156 1
1 341 . 18 1 1 A 30 30 PHE H H 30 8.775 8.835 -0.060 1
1 342 . 18 1 1 A 30 30 PHE HA H 30 4.619 4.177 0.442 1
1 349 . 18 1 1 A 30 30 PHE C C 30 178.612 178.018 0.594 1
1 350 . 18 1 1 A 30 30 PHE CA C 30 57.312 62.083 -4.771 1
1 351 . 18 1 1 A 30 30 PHE CB C 30 37.667 38.453 -0.786 1
1 356 . 18 1 1 A 30 30 PHE N N 30 118.969 118.428 0.541 1
1 357 . 18 1 1 A 31 31 LYS H H 31 8.977 9.115 -0.138 1
1 358 . 18 1 1 A 31 31 LYS HA H 31 4.141 4.295 -0.154 1
1 363 . 18 1 1 A 31 31 LYS C C 31 178.781 178.708 0.073 1
1 364 . 18 1 1 A 31 31 LYS CA C 31 59.878 59.890 -0.012 1
1 365 . 18 1 1 A 31 31 LYS CB C 31 31.707 32.161 -0.454 1
1 367 . 18 1 1 A 31 31 LYS N N 31 121.474 120.551 0.923 1
1 368 . 18 1 1 A 32 32 LEU H H 32 7.215 7.964 -0.749 1
1 369 . 18 1 1 A 32 32 LEU HA H 32 4.179 4.014 0.165 1
1 376 . 18 1 1 A 32 32 LEU C C 32 180.639 179.417 1.222 1
1 377 . 18 1 1 A 32 32 LEU CA C 32 57.933 57.912 0.021 1
1 378 . 18 1 1 A 32 32 LEU CB C 32 41.283 41.397 -0.114 1
1 381 . 18 1 1 A 32 32 LEU N N 32 118.836 119.300 -0.464 1
1 382 . 18 1 1 A 33 33 ILE H H 33 7.397 7.836 -0.439 1
1 383 . 18 1 1 A 33 33 ILE HA H 33 3.896 3.813 0.083 1
1 388 . 18 1 1 A 33 33 ILE C C 33 178.546 177.607 0.939 1
1 389 . 18 1 1 A 33 33 ILE CA C 33 63.892 63.698 0.194 1
1 390 . 18 1 1 A 33 33 ILE CB C 33 37.582 37.403 0.179 1
1 393 . 18 1 1 A 33 33 ILE N N 33 118.838 119.758 -0.920 1
1 394 . 18 1 1 A 34 34 ALA H H 34 8.593 8.387 0.206 1
1 395 . 18 1 1 A 34 34 ALA HA H 34 3.984 4.411 -0.427 1
1 399 . 18 1 1 A 34 34 ALA C C 34 179.571 179.815 -0.244 1
1 400 . 18 1 1 A 34 34 ALA CA C 34 55.141 55.395 -0.254 1
1 401 . 18 1 1 A 34 34 ALA CB C 34 18.671 18.687 -0.016 1
1 402 . 18 1 1 A 34 34 ALA N N 34 121.471 123.910 -2.439 1
1 403 . 18 1 1 A 35 35 ASN H H 35 8.503 8.334 0.169 1
1 404 . 18 1 1 A 35 35 ASN HA H 35 4.707 4.547 0.160 1
1 409 . 18 1 1 A 35 35 ASN C C 35 177.434 176.638 0.796 1
1 410 . 18 1 1 A 35 35 ASN CA C 35 55.732 54.735 0.997 1
1 411 . 18 1 1 A 35 35 ASN CB C 35 38.224 36.962 1.262 1
1 412 . 18 1 1 A 35 35 ASN N N 35 116.283 116.041 0.242 1
1 414 . 18 1 1 A 36 36 ALA H H 36 7.610 7.678 -0.068 1
1 415 . 18 1 1 A 36 36 ALA HA H 36 4.363 4.099 0.264 1
1 419 . 18 1 1 A 36 36 ALA C C 36 178.715 178.074 0.641 1
1 420 . 18 1 1 A 36 36 ALA CA C 36 54.004 54.056 -0.052 1
1 421 . 18 1 1 A 36 36 ALA CB C 36 19.224 18.615 0.609 1
1 422 . 18 1 1 A 36 36 ALA N N 36 120.620 121.784 -1.164 1
1 423 . 18 1 1 A 37 37 LYS H H 37 7.673 7.619 0.054 1
1 424 . 18 1 1 A 37 37 LYS HA H 37 4.436 4.547 -0.111 1
1 431 . 18 1 1 A 37 37 LYS C C 37 175.876 176.233 -0.357 1
1 432 . 18 1 1 A 37 37 LYS CA C 37 56.284 56.743 -0.459 1
1 433 . 18 1 1 A 37 37 LYS CB C 37 34.026 34.739 -0.713 1
1 437 . 18 1 1 A 37 37 LYS N N 37 116.344 112.111 4.233 1
1 438 . 18 1 1 A 38 38 THR H H 38 8.122 8.060 0.062 1
1 439 . 18 1 1 A 38 38 THR HA H 38 4.409 4.700 -0.291 1
1 444 . 18 1 1 A 38 38 THR C C 38 172.766 173.319 -0.553 1
1 445 . 18 1 1 A 38 38 THR CA C 38 61.468 60.497 0.971 1
1 446 . 18 1 1 A 38 38 THR CB C 38 69.124 71.303 -2.179 1
1 448 . 18 1 1 A 38 38 THR N N 38 113.585 111.128 2.457 1
1 449 . 18 1 1 A 39 39 VAL H H 39 8.254 8.621 -0.367 1
1 450 . 18 1 1 A 39 39 VAL HA H 39 4.399 4.348 0.051 1
1 455 . 18 1 1 A 39 39 VAL C C 39 176.183 174.888 1.295 1
1 456 . 18 1 1 A 39 39 VAL CA C 39 62.431 61.145 1.286 1
1 457 . 18 1 1 A 39 39 VAL CB C 39 32.795 34.325 -1.530 1
1 459 . 18 1 1 A 39 39 VAL N N 39 120.756 119.654 1.102 1
1 460 . 18 1 1 A 40 40 GLU H H 40 8.732 9.260 -0.528 1
1 461 . 18 1 1 A 40 40 GLU HA H 40 4.711 4.209 0.502 1
1 464 . 18 1 1 A 40 40 GLU C C 40 175.571 175.294 0.277 1
1 465 . 18 1 1 A 40 40 GLU CA C 40 55.569 57.488 -1.919 1
1 466 . 18 1 1 A 40 40 GLU CB C 40 30.469 29.031 1.438 1
1 468 . 18 1 1 A 40 40 GLU N N 40 124.791 129.366 -4.575 1
1 469 . 18 1 1 A 41 41 GLY H H 41 8.145 8.545 -0.400 1
1 470 . 18 1 1 A 41 41 GLY HA2 H 41 4.236 4.133 0.103 1
1 471 . 18 1 1 A 41 41 GLY HA3 H 41 3.589 4.140 -0.551 1
1 472 . 18 1 1 A 41 41 GLY C C 41 172.517 171.688 0.829 1
1 473 . 18 1 1 A 41 41 GLY CA C 41 45.203 45.711 -0.508 1
1 474 . 18 1 1 A 41 41 GLY N N 41 107.758 112.183 -4.425 1
1 475 . 18 1 1 A 42 42 VAL H H 42 8.490 8.703 -0.213 1
1 476 . 18 1 1 A 42 42 VAL HA H 42 4.525 4.674 -0.149 1
1 481 . 18 1 1 A 42 42 VAL C C 42 176.739 176.090 0.649 1
1 482 . 18 1 1 A 42 42 VAL CA C 42 62.354 61.584 0.770 1
1 483 . 18 1 1 A 42 42 VAL CB C 42 33.355 32.719 0.636 1
1 485 . 18 1 1 A 42 42 VAL N N 42 121.959 120.075 1.884 1
1 486 . 18 1 1 A 43 43 TRP H H 43 9.465 9.040 0.425 1
1 487 . 18 1 1 A 43 43 TRP HA H 43 5.375 5.184 0.191 1
1 495 . 18 1 1 A 43 43 TRP C C 43 177.127 176.483 0.644 1
1 496 . 18 1 1 A 43 43 TRP CA C 43 58.056 57.933 0.123 1
1 497 . 18 1 1 A 43 43 TRP CB C 43 29.740 29.457 0.283 1
1 502 . 18 1 1 A 43 43 TRP N N 43 130.804 129.194 1.610 1
1 504 . 18 1 1 A 44 44 THR H H 44 9.380 9.494 -0.114 1
1 505 . 18 1 1 A 44 44 THR HA H 44 4.908 5.348 -0.440 1
1 510 . 18 1 1 A 44 44 THR C C 44 172.803 173.198 -0.395 1
1 511 . 18 1 1 A 44 44 THR CA C 44 61.075 59.789 1.286 1
1 512 . 18 1 1 A 44 44 THR CB C 44 72.681 72.338 0.343 1
1 514 . 18 1 1 A 44 44 THR N N 44 115.117 114.305 0.812 1
1 515 . 18 1 1 A 45 45 TYR H H 45 8.773 8.946 -0.173 1
1 516 . 18 1 1 A 45 45 TYR HA H 45 5.143 5.655 -0.512 1
1 521 . 18 1 1 A 45 45 TYR C C 45 174.047 173.601 0.446 1
1 522 . 18 1 1 A 45 45 TYR CA C 45 57.154 56.964 0.190 1
1 523 . 18 1 1 A 45 45 TYR CB C 45 41.212 42.361 -1.149 1
1 526 . 18 1 1 A 45 45 TYR N N 45 121.946 122.741 -0.795 1
1 527 . 18 1 1 A 46 46 LYS H H 46 7.505 8.513 -1.008 1
1 528 . 18 1 1 A 46 46 LYS HA H 46 4.457 4.462 -0.005 1
1 533 . 18 1 1 A 46 46 LYS C C 46 175.444 173.940 1.504 1
1 534 . 18 1 1 A 46 46 LYS CA C 46 53.992 54.148 -0.156 1
1 535 . 18 1 1 A 46 46 LYS CB C 46 33.875 35.672 -1.797 1
1 539 . 18 1 1 A 46 46 LYS N N 46 128.658 125.959 2.699 1
1 540 . 18 1 1 A 47 47 ASP H H 47 8.807 8.605 0.202 1
1 541 . 18 1 1 A 47 47 ASP HA H 47 4.135 4.813 -0.678 1
1 544 . 18 1 1 A 47 47 ASP C C 47 179.380 175.576 3.804 1
1 545 . 18 1 1 A 47 47 ASP CA C 47 57.464 53.684 3.780 1
1 546 . 18 1 1 A 47 47 ASP CB C 47 42.288 41.573 0.715 1
1 547 . 18 1 1 A 47 47 ASP N N 47 126.643 124.133 2.510 1
1 548 . 18 1 1 A 48 48 GLU H H 48 9.909 8.575 1.334 1
1 549 . 18 1 1 A 48 48 GLU HA H 48 4.172 4.361 -0.189 1
1 554 . 18 1 1 A 48 48 GLU C C 48 177.317 176.175 1.142 1
1 555 . 18 1 1 A 48 48 GLU CA C 48 59.979 56.922 3.057 1
1 556 . 18 1 1 A 48 48 GLU CB C 48 28.699 31.232 -2.533 1
1 558 . 18 1 1 A 48 48 GLU N N 48 118.400 122.269 -3.869 1
1 559 . 18 1 1 A 49 49 ILE H H 49 6.510 7.840 -1.330 1
1 560 . 18 1 1 A 49 49 ILE HA H 49 4.697 4.237 0.460 1
1 568 . 18 1 1 A 49 49 ILE C C 49 175.868 175.341 0.527 1
1 569 . 18 1 1 A 49 49 ILE CA C 49 60.318 60.616 -0.298 1
1 570 . 18 1 1 A 49 49 ILE CB C 49 38.324 37.788 0.536 1
1 574 . 18 1 1 A 49 49 ILE N N 49 105.782 117.704 -11.922 1
1 575 . 18 1 1 A 50 50 LYS H H 50 7.991 7.798 0.193 1
1 576 . 18 1 1 A 50 50 LYS HA H 50 4.336 4.139 0.197 1
1 581 . 18 1 1 A 50 50 LYS C C 50 174.829 174.918 -0.089 1
1 582 . 18 1 1 A 50 50 LYS CA C 50 55.959 56.905 -0.946 1
1 583 . 18 1 1 A 50 50 LYS CB C 50 29.232 30.990 -1.758 1
1 585 . 18 1 1 A 50 50 LYS N N 50 124.329 119.402 4.927 1
1 586 . 18 1 1 A 51 51 THR H H 51 7.174 7.157 0.017 1
1 587 . 18 1 1 A 51 51 THR HA H 51 5.774 5.307 0.467 1
1 592 . 18 1 1 A 51 51 THR C C 51 173.893 172.068 1.825 1
1 593 . 18 1 1 A 51 51 THR CA C 51 62.217 59.941 2.276 1
1 594 . 18 1 1 A 51 51 THR CB C 51 73.248 71.842 1.406 1
1 596 . 18 1 1 A 51 51 THR N N 51 109.849 114.963 -5.114 1
1 597 . 18 1 1 A 52 52 PHE H H 52 10.338 9.883 0.455 1
1 598 . 18 1 1 A 52 52 PHE HA H 52 5.693 5.832 -0.139 1
1 605 . 18 1 1 A 52 52 PHE C C 52 174.361 174.841 -0.480 1
1 606 . 18 1 1 A 52 52 PHE CA C 52 57.260 55.989 1.271 1
1 607 . 18 1 1 A 52 52 PHE CB C 52 42.130 43.815 -1.685 1
1 612 . 18 1 1 A 52 52 PHE N N 52 130.662 124.955 5.707 1
1 613 . 18 1 1 A 53 53 THR H H 53 9.262 9.527 -0.265 1
1 614 . 18 1 1 A 53 53 THR HA H 53 5.288 5.006 0.282 1
1 619 . 18 1 1 A 53 53 THR C C 53 172.678 173.324 -0.646 1
1 620 . 18 1 1 A 53 53 THR CA C 53 61.511 61.101 0.410 1
1 621 . 18 1 1 A 53 53 THR CB C 53 70.861 72.173 -1.312 1
1 623 . 18 1 1 A 53 53 THR N N 53 118.205 114.573 3.632 1
1 624 . 18 1 1 A 54 54 VAL H H 54 8.628 9.132 -0.504 1
1 625 . 18 1 1 A 54 54 VAL HA H 54 4.599 5.033 -0.434 1
1 633 . 18 1 1 A 54 54 VAL C C 54 174.090 174.172 -0.082 1
1 634 . 18 1 1 A 54 54 VAL CA C 54 59.646 60.190 -0.544 1
1 635 . 18 1 1 A 54 54 VAL CB C 54 32.737 33.757 -1.020 1
1 637 . 18 1 1 A 54 54 VAL N N 54 125.183 122.344 2.839 1
1 638 . 18 1 1 A 55 55 THR H H 55 8.434 8.472 -0.038 1
1 639 . 18 1 1 A 55 55 THR HA H 55 4.951 5.328 -0.377 1
1 644 . 18 1 1 A 55 55 THR C C 55 173.695 172.907 0.788 1
1 645 . 18 1 1 A 55 55 THR CA C 55 61.219 60.553 0.666 1
1 646 . 18 1 1 A 55 55 THR CB C 55 71.454 70.447 1.007 1
1 648 . 18 1 1 A 55 55 THR N N 55 122.255 120.349 1.906 1
1 9 . 19 1 1 A 2 2 THR H H 2 8.931 8.904 0.027 1
1 10 . 19 1 1 A 2 2 THR HA H 2 4.504 4.951 -0.447 1
1 15 . 19 1 1 A 2 2 THR C C 2 172.828 172.835 -0.007 1
1 16 . 19 1 1 A 2 2 THR CA C 2 63.506 60.958 2.548 1
1 17 . 19 1 1 A 2 2 THR CB C 2 68.833 70.300 -1.467 1
1 19 . 19 1 1 A 2 2 THR N N 2 124.414 120.902 3.512 1
1 20 . 19 1 1 A 3 3 TYR H H 3 9.041 9.355 -0.314 1
1 21 . 19 1 1 A 3 3 TYR HA H 3 5.453 5.670 -0.217 1
1 26 . 19 1 1 A 3 3 TYR C C 3 174.672 175.680 -1.008 1
1 27 . 19 1 1 A 3 3 TYR CA C 3 57.886 56.662 1.224 1
1 28 . 19 1 1 A 3 3 TYR CB C 3 42.295 42.403 -0.108 1
1 31 . 19 1 1 A 3 3 TYR N N 3 127.469 126.754 0.715 1
1 32 . 19 1 1 A 4 4 LYS H H 4 9.046 8.552 0.494 1
1 33 . 19 1 1 A 4 4 LYS HA H 4 5.547 5.433 0.114 1
1 40 . 19 1 1 A 4 4 LYS C C 4 173.092 175.167 -2.075 1
1 41 . 19 1 1 A 4 4 LYS CA C 4 55.112 54.960 0.152 1
1 42 . 19 1 1 A 4 4 LYS CB C 4 35.889 36.506 -0.617 1
1 46 . 19 1 1 A 4 4 LYS N N 4 121.164 120.973 0.191 1
1 47 . 19 1 1 A 5 5 LEU H H 5 9.017 9.531 -0.514 1
1 48 . 19 1 1 A 5 5 LEU HA H 5 5.095 5.761 -0.666 1
1 58 . 19 1 1 A 5 5 LEU C C 5 174.914 174.325 0.589 1
1 59 . 19 1 1 A 5 5 LEU CA C 5 52.648 53.523 -0.875 1
1 60 . 19 1 1 A 5 5 LEU CB C 5 43.729 45.433 -1.704 1
1 63 . 19 1 1 A 5 5 LEU N N 5 126.371 123.867 2.504 1
1 64 . 19 1 1 A 6 6 ILE H H 6 9.129 9.046 0.083 1
1 65 . 19 1 1 A 6 6 ILE HA H 6 4.502 4.762 -0.260 1
1 70 . 19 1 1 A 6 6 ILE C C 6 174.654 174.273 0.381 1
1 71 . 19 1 1 A 6 6 ILE CA C 6 60.366 60.019 0.347 1
1 72 . 19 1 1 A 6 6 ILE CB C 6 38.760 38.824 -0.064 1
1 76 . 19 1 1 A 6 6 ILE N N 6 126.264 127.035 -0.771 1
1 77 . 19 1 1 A 7 7 LEU H H 7 8.956 9.182 -0.226 1
1 78 . 19 1 1 A 7 7 LEU HA H 7 4.570 5.132 -0.562 1
1 84 . 19 1 1 A 7 7 LEU C C 7 174.493 175.432 -0.939 1
1 85 . 19 1 1 A 7 7 LEU CA C 7 53.644 53.206 0.438 1
1 86 . 19 1 1 A 7 7 LEU CB C 7 41.339 43.261 -1.922 1
1 89 . 19 1 1 A 7 7 LEU N N 7 126.422 128.551 -2.129 1
1 90 . 19 1 1 A 8 8 ASN H H 8 9.065 8.755 0.310 1
1 91 . 19 1 1 A 8 8 ASN HA H 8 5.181 5.356 -0.175 1
1 96 . 19 1 1 A 8 8 ASN C C 8 174.434 174.178 0.256 1
1 97 . 19 1 1 A 8 8 ASN CA C 8 51.851 51.987 -0.136 1
1 98 . 19 1 1 A 8 8 ASN CB C 8 37.869 39.766 -1.897 1
1 99 . 19 1 1 A 8 8 ASN N N 8 125.633 122.703 2.930 1
1 101 . 19 1 1 A 9 9 LEU H H 9 7.720 8.821 -1.101 1
1 102 . 19 1 1 A 9 9 LEU HA H 9 4.754 4.887 -0.133 1
1 109 . 19 1 1 A 9 9 LEU C C 9 177.207 176.657 0.550 1
1 110 . 19 1 1 A 9 9 LEU CA C 9 53.431 53.190 0.241 1
1 111 . 19 1 1 A 9 9 LEU CB C 9 41.451 43.868 -2.417 1
1 114 . 19 1 1 A 9 9 LEU N N 9 121.516 124.858 -3.342 1
1 115 . 19 1 1 A 10 10 LYS H H 10 9.251 8.572 0.679 1
1 116 . 19 1 1 A 10 10 LYS HA H 10 4.034 4.425 -0.391 1
1 123 . 19 1 1 A 10 10 LYS C C 10 179.205 175.244 3.961 1
1 124 . 19 1 1 A 10 10 LYS CA C 10 59.720 56.232 3.488 1
1 125 . 19 1 1 A 10 10 LYS CB C 10 31.834 31.204 0.630 1
1 128 . 19 1 1 A 10 10 LYS N N 10 120.915 119.665 1.250 1
1 129 . 19 1 1 A 11 11 GLN H H 11 8.566 7.972 0.594 1
1 130 . 19 1 1 A 11 11 GLN HA H 11 4.447 4.422 0.025 1
1 137 . 19 1 1 A 11 11 GLN C C 11 175.378 174.617 0.761 1
1 138 . 19 1 1 A 11 11 GLN CA C 11 56.019 55.780 0.239 1
1 139 . 19 1 1 A 11 11 GLN CB C 11 29.175 29.154 0.021 1
1 141 . 19 1 1 A 11 11 GLN N N 11 113.391 120.458 -7.067 1
1 143 . 19 1 1 A 12 12 ALA H H 12 7.186 8.428 -1.242 1
1 144 . 19 1 1 A 12 12 ALA HA H 12 4.506 4.146 0.360 1
1 148 . 19 1 1 A 12 12 ALA C C 12 174.369 176.143 -1.774 1
1 149 . 19 1 1 A 12 12 ALA CA C 12 52.485 53.958 -1.473 1
1 150 . 19 1 1 A 12 12 ALA CB C 12 21.424 18.263 3.161 1
1 151 . 19 1 1 A 12 12 ALA N N 12 120.106 129.724 -9.618 1
1 152 . 19 1 1 A 13 13 LYS H H 13 8.298 8.656 -0.358 1
1 153 . 19 1 1 A 13 13 LYS HA H 13 5.392 4.724 0.668 1
1 158 . 19 1 1 A 13 13 LYS C C 13 176.285 175.723 0.562 1
1 159 . 19 1 1 A 13 13 LYS CA C 13 55.138 55.776 -0.638 1
1 160 . 19 1 1 A 13 13 LYS CB C 13 33.656 33.630 0.026 1
1 164 . 19 1 1 A 13 13 LYS N N 13 120.804 123.473 -2.669 1
1 165 . 19 1 1 A 14 14 GLU H H 14 8.640 8.569 0.071 1
1 166 . 19 1 1 A 14 14 GLU HA H 14 4.879 5.086 -0.207 1
1 171 . 19 1 1 A 14 14 GLU C C 14 174.032 175.193 -1.161 1
1 172 . 19 1 1 A 14 14 GLU CA C 14 54.909 54.545 0.364 1
1 173 . 19 1 1 A 14 14 GLU CB C 14 34.407 33.400 1.007 1
1 175 . 19 1 1 A 14 14 GLU N N 14 123.450 125.432 -1.982 1
1 176 . 19 1 1 A 15 15 GLU H H 15 8.642 8.837 -0.195 1
1 177 . 19 1 1 A 15 15 GLU HA H 15 5.631 5.038 0.593 1
1 182 . 19 1 1 A 15 15 GLU C C 15 175.503 175.373 0.130 1
1 183 . 19 1 1 A 15 15 GLU CA C 15 54.638 54.761 -0.123 1
1 184 . 19 1 1 A 15 15 GLU CB C 15 34.147 32.570 1.577 1
1 186 . 19 1 1 A 15 15 GLU N N 15 120.056 121.877 -1.821 1
1 187 . 19 1 1 A 16 16 ALA H H 16 9.166 8.975 0.191 1
1 188 . 19 1 1 A 16 16 ALA HA H 16 4.981 5.547 -0.566 1
1 192 . 19 1 1 A 16 16 ALA C C 16 175.027 176.273 -1.246 1
1 193 . 19 1 1 A 16 16 ALA CA C 16 51.324 49.843 1.481 1
1 194 . 19 1 1 A 16 16 ALA CB C 16 22.552 22.408 0.144 1
1 195 . 19 1 1 A 16 16 ALA N N 16 124.648 126.807 -2.159 1
1 196 . 19 1 1 A 17 17 ILE H H 17 8.645 8.983 -0.338 1
1 197 . 19 1 1 A 17 17 ILE HA H 17 5.672 5.279 0.393 1
1 207 . 19 1 1 A 17 17 ILE C C 17 175.737 174.089 1.648 1
1 208 . 19 1 1 A 17 17 ILE CA C 17 59.733 58.854 0.879 1
1 209 . 19 1 1 A 17 17 ILE CB C 17 42.219 42.506 -0.287 1
1 213 . 19 1 1 A 17 17 ILE N N 17 116.684 117.193 -0.509 1
1 214 . 19 1 1 A 18 18 LYS H H 18 9.243 8.856 0.387 1
1 215 . 19 1 1 A 18 18 LYS HA H 18 4.548 5.144 -0.596 1
1 222 . 19 1 1 A 18 18 LYS C C 18 174.039 173.954 0.085 1
1 223 . 19 1 1 A 18 18 LYS CA C 18 54.956 55.044 -0.088 1
1 224 . 19 1 1 A 18 18 LYS CB C 18 37.101 36.074 1.027 1
1 228 . 19 1 1 A 18 18 LYS N N 18 123.578 120.300 3.278 1
1 229 . 19 1 1 A 19 19 GLU H H 19 8.812 8.654 0.158 1
1 230 . 19 1 1 A 19 19 GLU HA H 19 5.184 5.429 -0.245 1
1 233 . 19 1 1 A 19 19 GLU C C 19 175.912 175.432 0.480 1
1 234 . 19 1 1 A 19 19 GLU CA C 19 55.340 54.715 0.625 1
1 235 . 19 1 1 A 19 19 GLU CB C 19 29.224 33.368 -4.144 1
1 237 . 19 1 1 A 19 19 GLU N N 19 129.720 119.795 9.925 1
1 238 . 19 1 1 A 20 20 ALA H H 20 9.425 8.651 0.774 1
1 239 . 19 1 1 A 20 20 ALA HA H 20 4.935 4.861 0.074 1
1 243 . 19 1 1 A 20 20 ALA C C 20 177.376 177.020 0.356 1
1 244 . 19 1 1 A 20 20 ALA CA C 20 51.128 50.951 0.177 1
1 245 . 19 1 1 A 20 20 ALA CB C 20 23.405 23.229 0.176 1
1 246 . 19 1 1 A 20 20 ALA N N 20 127.622 128.105 -0.483 1
1 247 . 19 1 1 A 21 21 VAL H H 21 8.620 8.627 -0.007 1
1 248 . 19 1 1 A 21 21 VAL HA H 21 4.262 4.298 -0.036 1
1 253 . 19 1 1 A 21 21 VAL C C 21 175.539 174.689 0.850 1
1 254 . 19 1 1 A 21 21 VAL CA C 21 63.598 61.205 2.393 1
1 255 . 19 1 1 A 21 21 VAL CB C 21 31.839 31.704 0.135 1
1 257 . 19 1 1 A 21 21 VAL N N 21 115.529 114.618 0.911 1
1 258 . 19 1 1 A 22 22 ASP H H 22 7.405 7.613 -0.208 1
1 259 . 19 1 1 A 22 22 ASP HA H 22 4.946 4.834 0.112 1
1 262 . 19 1 1 A 22 22 ASP C C 22 174.734 174.727 0.007 1
1 263 . 19 1 1 A 22 22 ASP CA C 22 52.601 53.281 -0.680 1
1 264 . 19 1 1 A 22 22 ASP CB C 22 42.748 43.922 -1.174 1
1 265 . 19 1 1 A 22 22 ASP N N 22 115.513 119.454 -3.941 1
1 266 . 19 1 1 A 23 23 ALA H H 23 8.614 8.548 0.066 1
1 267 . 19 1 1 A 23 23 ALA HA H 23 3.294 3.591 -0.297 1
1 271 . 19 1 1 A 23 23 ALA C C 23 179.849 178.954 0.895 1
1 272 . 19 1 1 A 23 23 ALA CA C 23 54.858 52.995 1.863 1
1 273 . 19 1 1 A 23 23 ALA CB C 23 17.424 19.750 -2.326 1
1 274 . 19 1 1 A 23 23 ALA N N 23 121.829 123.024 -1.195 1
1 275 . 19 1 1 A 24 24 GLY H H 24 8.555 8.415 0.140 1
1 276 . 19 1 1 A 24 24 GLY HA2 H 24 3.851 3.842 0.009 1
1 277 . 19 1 1 A 24 24 GLY HA3 H 24 3.851 3.870 -0.019 1
1 278 . 19 1 1 A 24 24 GLY C C 24 177.142 176.441 0.701 1
1 279 . 19 1 1 A 24 24 GLY CA C 24 46.839 46.810 0.029 1
1 280 . 19 1 1 A 24 24 GLY N N 24 106.435 106.523 -0.088 1
1 281 . 19 1 1 A 25 25 THR H H 25 8.241 7.769 0.472 1
1 282 . 19 1 1 A 25 25 THR HA H 25 4.063 4.013 0.050 1
1 287 . 19 1 1 A 25 25 THR C C 25 177.054 175.961 1.093 1
1 288 . 19 1 1 A 25 25 THR CA C 25 66.635 65.004 1.631 1
1 289 . 19 1 1 A 25 25 THR CB C 25 68.068 68.688 -0.620 1
1 291 . 19 1 1 A 25 25 THR N N 25 119.981 117.525 2.456 1
1 292 . 19 1 1 A 26 26 ALA H H 26 7.100 8.162 -1.062 1
1 293 . 19 1 1 A 26 26 ALA HA H 26 3.364 3.558 -0.194 1
1 297 . 19 1 1 A 26 26 ALA C C 26 177.098 178.854 -1.756 1
1 298 . 19 1 1 A 26 26 ALA CA C 26 55.502 54.557 0.945 1
1 299 . 19 1 1 A 26 26 ALA CB C 26 17.127 17.401 -0.274 1
1 300 . 19 1 1 A 26 26 ALA N N 26 124.535 123.624 0.911 1
1 301 . 19 1 1 A 27 27 GLU H H 27 8.739 7.728 1.011 1
1 302 . 19 1 1 A 27 27 GLU HA H 27 2.941 3.754 -0.813 1
1 307 . 19 1 1 A 27 27 GLU C C 27 177.368 178.962 -1.594 1
1 308 . 19 1 1 A 27 27 GLU CA C 27 60.190 59.000 1.190 1
1 309 . 19 1 1 A 27 27 GLU CB C 27 29.225 29.424 -0.199 1
1 311 . 19 1 1 A 27 27 GLU N N 27 118.116 118.240 -0.124 1
1 312 . 19 1 1 A 28 28 LYS H H 28 7.333 7.757 -0.424 1
1 313 . 19 1 1 A 28 28 LYS HA H 28 3.764 4.095 -0.331 1
1 320 . 19 1 1 A 28 28 LYS C C 28 178.993 178.287 0.706 1
1 321 . 19 1 1 A 28 28 LYS CA C 28 59.881 58.866 1.015 1
1 322 . 19 1 1 A 28 28 LYS CB C 28 32.382 31.797 0.585 1
1 324 . 19 1 1 A 28 28 LYS N N 28 116.088 118.671 -2.583 1
1 325 . 19 1 1 A 29 29 TYR H H 29 7.016 7.892 -0.876 1
1 326 . 19 1 1 A 29 29 TYR HA H 29 4.273 4.281 -0.008 1
1 333 . 19 1 1 A 29 29 TYR C C 29 177.581 177.694 -0.113 1
1 334 . 19 1 1 A 29 29 TYR CA C 29 61.050 61.372 -0.322 1
1 335 . 19 1 1 A 29 29 TYR CB C 29 37.860 38.598 -0.738 1
1 340 . 19 1 1 A 29 29 TYR N N 29 119.155 121.144 -1.989 1
1 341 . 19 1 1 A 30 30 PHE H H 30 8.775 8.599 0.176 1
1 342 . 19 1 1 A 30 30 PHE HA H 30 4.619 4.202 0.417 1
1 349 . 19 1 1 A 30 30 PHE C C 30 178.612 177.914 0.698 1
1 350 . 19 1 1 A 30 30 PHE CA C 30 57.312 62.319 -5.007 1
1 351 . 19 1 1 A 30 30 PHE CB C 30 37.667 38.553 -0.886 1
1 356 . 19 1 1 A 30 30 PHE N N 30 118.969 118.976 -0.007 1
1 357 . 19 1 1 A 31 31 LYS H H 31 8.977 9.044 -0.067 1
1 358 . 19 1 1 A 31 31 LYS HA H 31 4.141 4.318 -0.177 1
1 363 . 19 1 1 A 31 31 LYS C C 31 178.781 178.667 0.114 1
1 364 . 19 1 1 A 31 31 LYS CA C 31 59.878 59.882 -0.004 1
1 365 . 19 1 1 A 31 31 LYS CB C 31 31.707 32.281 -0.574 1
1 367 . 19 1 1 A 31 31 LYS N N 31 121.474 120.671 0.803 1
1 368 . 19 1 1 A 32 32 LEU H H 32 7.215 7.920 -0.705 1
1 369 . 19 1 1 A 32 32 LEU HA H 32 4.179 4.014 0.165 1
1 376 . 19 1 1 A 32 32 LEU C C 32 180.639 179.409 1.230 1
1 377 . 19 1 1 A 32 32 LEU CA C 32 57.933 57.858 0.075 1
1 378 . 19 1 1 A 32 32 LEU CB C 32 41.283 41.391 -0.108 1
1 381 . 19 1 1 A 32 32 LEU N N 32 118.836 119.340 -0.504 1
1 382 . 19 1 1 A 33 33 ILE H H 33 7.397 7.719 -0.322 1
1 383 . 19 1 1 A 33 33 ILE HA H 33 3.896 3.864 0.032 1
1 388 . 19 1 1 A 33 33 ILE C C 33 178.546 177.708 0.838 1
1 389 . 19 1 1 A 33 33 ILE CA C 33 63.892 63.569 0.323 1
1 390 . 19 1 1 A 33 33 ILE CB C 33 37.582 37.596 -0.014 1
1 393 . 19 1 1 A 33 33 ILE N N 33 118.838 119.673 -0.835 1
1 394 . 19 1 1 A 34 34 ALA H H 34 8.593 8.191 0.402 1
1 395 . 19 1 1 A 34 34 ALA HA H 34 3.984 4.064 -0.080 1
1 399 . 19 1 1 A 34 34 ALA C C 34 179.571 180.021 -0.450 1
1 400 . 19 1 1 A 34 34 ALA CA C 34 55.141 55.392 -0.251 1
1 401 . 19 1 1 A 34 34 ALA CB C 34 18.671 19.010 -0.339 1
1 402 . 19 1 1 A 34 34 ALA N N 34 121.471 123.930 -2.459 1
1 403 . 19 1 1 A 35 35 ASN H H 35 8.503 8.965 -0.462 1
1 404 . 19 1 1 A 35 35 ASN HA H 35 4.707 4.536 0.171 1
1 409 . 19 1 1 A 35 35 ASN C C 35 177.434 177.664 -0.230 1
1 410 . 19 1 1 A 35 35 ASN CA C 35 55.732 55.985 -0.253 1
1 411 . 19 1 1 A 35 35 ASN CB C 35 38.224 38.303 -0.079 1
1 412 . 19 1 1 A 35 35 ASN N N 35 116.283 116.097 0.186 1
1 414 . 19 1 1 A 36 36 ALA H H 36 7.610 7.760 -0.150 1
1 415 . 19 1 1 A 36 36 ALA HA H 36 4.363 4.183 0.180 1
1 419 . 19 1 1 A 36 36 ALA C C 36 178.715 179.437 -0.722 1
1 420 . 19 1 1 A 36 36 ALA CA C 36 54.004 55.106 -1.102 1
1 421 . 19 1 1 A 36 36 ALA CB C 36 19.224 19.178 0.046 1
1 422 . 19 1 1 A 36 36 ALA N N 36 120.620 122.838 -2.218 1
1 423 . 19 1 1 A 37 37 LYS H H 37 7.673 7.787 -0.114 1
1 424 . 19 1 1 A 37 37 LYS HA H 37 4.436 4.142 0.294 1
1 431 . 19 1 1 A 37 37 LYS C C 37 175.876 176.410 -0.534 1
1 432 . 19 1 1 A 37 37 LYS CA C 37 56.284 58.813 -2.529 1
1 433 . 19 1 1 A 37 37 LYS CB C 37 34.026 32.065 1.961 1
1 437 . 19 1 1 A 37 37 LYS N N 37 116.344 116.635 -0.291 1
1 438 . 19 1 1 A 38 38 THR H H 38 8.122 8.575 -0.453 1
1 439 . 19 1 1 A 38 38 THR HA H 38 4.409 4.882 -0.473 1
1 444 . 19 1 1 A 38 38 THR C C 38 172.766 173.565 -0.799 1
1 445 . 19 1 1 A 38 38 THR CA C 38 61.468 60.171 1.297 1
1 446 . 19 1 1 A 38 38 THR CB C 38 69.124 72.097 -2.973 1
1 448 . 19 1 1 A 38 38 THR N N 38 113.585 109.991 3.594 1
1 449 . 19 1 1 A 39 39 VAL H H 39 8.254 8.636 -0.382 1
1 450 . 19 1 1 A 39 39 VAL HA H 39 4.399 4.482 -0.083 1
1 455 . 19 1 1 A 39 39 VAL C C 39 176.183 174.636 1.547 1
1 456 . 19 1 1 A 39 39 VAL CA C 39 62.431 61.319 1.112 1
1 457 . 19 1 1 A 39 39 VAL CB C 39 32.795 33.052 -0.257 1
1 459 . 19 1 1 A 39 39 VAL N N 39 120.756 120.274 0.482 1
1 460 . 19 1 1 A 40 40 GLU H H 40 8.732 7.759 0.973 1
1 461 . 19 1 1 A 40 40 GLU HA H 40 4.711 4.756 -0.045 1
1 464 . 19 1 1 A 40 40 GLU C C 40 175.571 175.226 0.345 1
1 465 . 19 1 1 A 40 40 GLU CA C 40 55.569 56.080 -0.511 1
1 466 . 19 1 1 A 40 40 GLU CB C 40 30.469 32.679 -2.210 1
1 468 . 19 1 1 A 40 40 GLU N N 40 124.791 122.294 2.497 1
1 469 . 19 1 1 A 41 41 GLY H H 41 8.145 8.474 -0.329 1
1 470 . 19 1 1 A 41 41 GLY HA2 H 41 4.236 4.156 0.080 1
1 471 . 19 1 1 A 41 41 GLY HA3 H 41 3.589 4.162 -0.573 1
1 472 . 19 1 1 A 41 41 GLY C C 41 172.517 171.616 0.901 1
1 473 . 19 1 1 A 41 41 GLY CA C 41 45.203 45.773 -0.570 1
1 474 . 19 1 1 A 41 41 GLY N N 41 107.758 112.391 -4.633 1
1 475 . 19 1 1 A 42 42 VAL H H 42 8.490 8.664 -0.174 1
1 476 . 19 1 1 A 42 42 VAL HA H 42 4.525 4.712 -0.187 1
1 481 . 19 1 1 A 42 42 VAL C C 42 176.739 176.123 0.616 1
1 482 . 19 1 1 A 42 42 VAL CA C 42 62.354 62.023 0.331 1
1 483 . 19 1 1 A 42 42 VAL CB C 42 33.355 32.435 0.920 1
1 485 . 19 1 1 A 42 42 VAL N N 42 121.959 120.210 1.749 1
1 486 . 19 1 1 A 43 43 TRP H H 43 9.465 9.093 0.372 1
1 487 . 19 1 1 A 43 43 TRP HA H 43 5.375 5.325 0.050 1
1 495 . 19 1 1 A 43 43 TRP C C 43 177.127 176.463 0.664 1
1 496 . 19 1 1 A 43 43 TRP CA C 43 58.056 57.640 0.416 1
1 497 . 19 1 1 A 43 43 TRP CB C 43 29.740 30.680 -0.940 1
1 502 . 19 1 1 A 43 43 TRP N N 43 130.804 129.209 1.595 1
1 504 . 19 1 1 A 44 44 THR H H 44 9.380 8.794 0.586 1
1 505 . 19 1 1 A 44 44 THR HA H 44 4.908 5.197 -0.289 1
1 510 . 19 1 1 A 44 44 THR C C 44 172.803 171.894 0.909 1
1 511 . 19 1 1 A 44 44 THR CA C 44 61.075 60.289 0.786 1
1 512 . 19 1 1 A 44 44 THR CB C 44 72.681 70.801 1.880 1
1 514 . 19 1 1 A 44 44 THR N N 44 115.117 116.525 -1.408 1
1 515 . 19 1 1 A 45 45 TYR H H 45 8.773 8.997 -0.224 1
1 516 . 19 1 1 A 45 45 TYR HA H 45 5.143 5.694 -0.551 1
1 521 . 19 1 1 A 45 45 TYR C C 45 174.047 173.806 0.241 1
1 522 . 19 1 1 A 45 45 TYR CA C 45 57.154 57.073 0.081 1
1 523 . 19 1 1 A 45 45 TYR CB C 45 41.212 42.392 -1.180 1
1 526 . 19 1 1 A 45 45 TYR N N 45 121.946 128.111 -6.165 1
1 527 . 19 1 1 A 46 46 LYS H H 46 7.505 8.092 -0.587 1
1 528 . 19 1 1 A 46 46 LYS HA H 46 4.457 4.683 -0.226 1
1 533 . 19 1 1 A 46 46 LYS C C 46 175.444 174.357 1.087 1
1 534 . 19 1 1 A 46 46 LYS CA C 46 53.992 53.999 -0.007 1
1 535 . 19 1 1 A 46 46 LYS CB C 46 33.875 35.493 -1.618 1
1 539 . 19 1 1 A 46 46 LYS N N 46 128.658 126.070 2.588 1
1 540 . 19 1 1 A 47 47 ASP H H 47 8.807 8.608 0.199 1
1 541 . 19 1 1 A 47 47 ASP HA H 47 4.135 4.642 -0.507 1
1 544 . 19 1 1 A 47 47 ASP C C 47 179.380 176.463 2.917 1
1 545 . 19 1 1 A 47 47 ASP CA C 47 57.464 53.915 3.549 1
1 546 . 19 1 1 A 47 47 ASP CB C 47 42.288 42.238 0.050 1
1 547 . 19 1 1 A 47 47 ASP N N 47 126.643 123.983 2.660 1
1 548 . 19 1 1 A 48 48 GLU H H 48 9.909 8.940 0.969 1
1 549 . 19 1 1 A 48 48 GLU HA H 48 4.172 4.293 -0.121 1
1 554 . 19 1 1 A 48 48 GLU C C 48 177.317 176.409 0.908 1
1 555 . 19 1 1 A 48 48 GLU CA C 48 59.979 58.087 1.892 1
1 556 . 19 1 1 A 48 48 GLU CB C 48 28.699 29.577 -0.878 1
1 558 . 19 1 1 A 48 48 GLU N N 48 118.400 124.297 -5.897 1
1 559 . 19 1 1 A 49 49 ILE H H 49 6.510 7.855 -1.345 1
1 560 . 19 1 1 A 49 49 ILE HA H 49 4.697 4.215 0.482 1
1 568 . 19 1 1 A 49 49 ILE C C 49 175.868 175.201 0.667 1
1 569 . 19 1 1 A 49 49 ILE CA C 49 60.318 60.822 -0.504 1
1 570 . 19 1 1 A 49 49 ILE CB C 49 38.324 39.818 -1.494 1
1 574 . 19 1 1 A 49 49 ILE N N 49 105.782 117.382 -11.600 1
1 575 . 19 1 1 A 50 50 LYS H H 50 7.991 7.724 0.267 1
1 576 . 19 1 1 A 50 50 LYS HA H 50 4.336 3.873 0.463 1
1 581 . 19 1 1 A 50 50 LYS C C 50 174.829 175.080 -0.251 1
1 582 . 19 1 1 A 50 50 LYS CA C 50 55.959 56.746 -0.787 1
1 583 . 19 1 1 A 50 50 LYS CB C 50 29.232 30.004 -0.772 1
1 585 . 19 1 1 A 50 50 LYS N N 50 124.329 120.121 4.208 1
1 586 . 19 1 1 A 51 51 THR H H 51 7.174 6.608 0.566 1
1 587 . 19 1 1 A 51 51 THR HA H 51 5.774 5.249 0.525 1
1 592 . 19 1 1 A 51 51 THR C C 51 173.893 172.714 1.179 1
1 593 . 19 1 1 A 51 51 THR CA C 51 62.217 60.029 2.188 1
1 594 . 19 1 1 A 51 51 THR CB C 51 73.248 72.192 1.056 1
1 596 . 19 1 1 A 51 51 THR N N 51 109.849 109.473 0.376 1
1 597 . 19 1 1 A 52 52 PHE H H 52 10.338 9.705 0.633 1
1 598 . 19 1 1 A 52 52 PHE HA H 52 5.693 5.976 -0.283 1
1 605 . 19 1 1 A 52 52 PHE C C 52 174.361 174.998 -0.637 1
1 606 . 19 1 1 A 52 52 PHE CA C 52 57.260 56.168 1.092 1
1 607 . 19 1 1 A 52 52 PHE CB C 52 42.130 43.379 -1.249 1
1 612 . 19 1 1 A 52 52 PHE N N 52 130.662 120.059 10.603 1
1 613 . 19 1 1 A 53 53 THR H H 53 9.262 9.385 -0.123 1
1 614 . 19 1 1 A 53 53 THR HA H 53 5.288 4.816 0.472 1
1 619 . 19 1 1 A 53 53 THR C C 53 172.678 173.299 -0.621 1
1 620 . 19 1 1 A 53 53 THR CA C 53 61.511 61.180 0.331 1
1 621 . 19 1 1 A 53 53 THR CB C 53 70.861 72.353 -1.492 1
1 623 . 19 1 1 A 53 53 THR N N 53 118.205 115.215 2.990 1
1 624 . 19 1 1 A 54 54 VAL H H 54 8.628 8.944 -0.316 1
1 625 . 19 1 1 A 54 54 VAL HA H 54 4.599 4.965 -0.366 1
1 633 . 19 1 1 A 54 54 VAL C C 54 174.090 174.243 -0.153 1
1 634 . 19 1 1 A 54 54 VAL CA C 54 59.646 60.249 -0.603 1
1 635 . 19 1 1 A 54 54 VAL CB C 54 32.737 33.533 -0.796 1
1 637 . 19 1 1 A 54 54 VAL N N 54 125.183 123.101 2.082 1
1 638 . 19 1 1 A 55 55 THR H H 55 8.434 8.652 -0.218 1
1 639 . 19 1 1 A 55 55 THR HA H 55 4.951 4.733 0.218 1
1 644 . 19 1 1 A 55 55 THR C C 55 173.695 174.517 -0.822 1
1 645 . 19 1 1 A 55 55 THR CA C 55 61.219 62.106 -0.887 1
1 646 . 19 1 1 A 55 55 THR CB C 55 71.454 69.695 1.759 1
1 648 . 19 1 1 A 55 55 THR N N 55 122.255 124.460 -2.205 1
1 9 . 20 1 1 A 2 2 THR H H 2 8.931 8.606 0.325 1
1 10 . 20 1 1 A 2 2 THR HA H 2 4.504 4.767 -0.263 1
1 15 . 20 1 1 A 2 2 THR C C 2 172.828 173.326 -0.498 1
1 16 . 20 1 1 A 2 2 THR CA C 2 63.506 62.457 1.049 1
1 17 . 20 1 1 A 2 2 THR CB C 2 68.833 69.878 -1.045 1
1 19 . 20 1 1 A 2 2 THR N N 2 124.414 116.834 7.580 1
1 20 . 20 1 1 A 3 3 TYR H H 3 9.041 9.405 -0.364 1
1 21 . 20 1 1 A 3 3 TYR HA H 3 5.453 5.628 -0.175 1
1 26 . 20 1 1 A 3 3 TYR C C 3 174.672 175.743 -1.071 1
1 27 . 20 1 1 A 3 3 TYR CA C 3 57.886 56.578 1.308 1
1 28 . 20 1 1 A 3 3 TYR CB C 3 42.295 42.366 -0.071 1
1 31 . 20 1 1 A 3 3 TYR N N 3 127.469 126.366 1.103 1
1 32 . 20 1 1 A 4 4 LYS H H 4 9.046 8.610 0.436 1
1 33 . 20 1 1 A 4 4 LYS HA H 4 5.547 5.463 0.084 1
1 40 . 20 1 1 A 4 4 LYS C C 4 173.092 175.040 -1.948 1
1 41 . 20 1 1 A 4 4 LYS CA C 4 55.112 54.852 0.260 1
1 42 . 20 1 1 A 4 4 LYS CB C 4 35.889 36.090 -0.201 1
1 46 . 20 1 1 A 4 4 LYS N N 4 121.164 121.106 0.058 1
1 47 . 20 1 1 A 5 5 LEU H H 5 9.017 9.395 -0.378 1
1 48 . 20 1 1 A 5 5 LEU HA H 5 5.095 5.727 -0.632 1
1 58 . 20 1 1 A 5 5 LEU C C 5 174.914 174.349 0.565 1
1 59 . 20 1 1 A 5 5 LEU CA C 5 52.648 53.193 -0.545 1
1 60 . 20 1 1 A 5 5 LEU CB C 5 43.729 45.066 -1.337 1
1 63 . 20 1 1 A 5 5 LEU N N 5 126.371 123.987 2.384 1
1 64 . 20 1 1 A 6 6 ILE H H 6 9.129 9.041 0.088 1
1 65 . 20 1 1 A 6 6 ILE HA H 6 4.502 4.621 -0.119 1
1 70 . 20 1 1 A 6 6 ILE C C 6 174.654 174.439 0.215 1
1 71 . 20 1 1 A 6 6 ILE CA C 6 60.366 60.596 -0.230 1
1 72 . 20 1 1 A 6 6 ILE CB C 6 38.760 39.015 -0.255 1
1 76 . 20 1 1 A 6 6 ILE N N 6 126.264 126.847 -0.583 1
1 77 . 20 1 1 A 7 7 LEU H H 7 8.956 9.471 -0.515 1
1 78 . 20 1 1 A 7 7 LEU HA H 7 4.570 5.025 -0.455 1
1 84 . 20 1 1 A 7 7 LEU C C 7 174.493 175.046 -0.553 1
1 85 . 20 1 1 A 7 7 LEU CA C 7 53.644 53.503 0.141 1
1 86 . 20 1 1 A 7 7 LEU CB C 7 41.339 43.027 -1.688 1
1 89 . 20 1 1 A 7 7 LEU N N 7 126.422 128.462 -2.040 1
1 90 . 20 1 1 A 8 8 ASN H H 8 9.065 9.031 0.034 1
1 91 . 20 1 1 A 8 8 ASN HA H 8 5.181 5.277 -0.096 1
1 96 . 20 1 1 A 8 8 ASN C C 8 174.434 174.384 0.050 1
1 97 . 20 1 1 A 8 8 ASN CA C 8 51.851 51.892 -0.041 1
1 98 . 20 1 1 A 8 8 ASN CB C 8 37.869 40.965 -3.096 1
1 99 . 20 1 1 A 8 8 ASN N N 8 125.633 124.257 1.376 1
1 101 . 20 1 1 A 9 9 LEU H H 9 7.720 8.808 -1.088 1
1 102 . 20 1 1 A 9 9 LEU HA H 9 4.754 4.798 -0.044 1
1 109 . 20 1 1 A 9 9 LEU C C 9 177.207 178.426 -1.219 1
1 110 . 20 1 1 A 9 9 LEU CA C 9 53.431 53.047 0.384 1
1 111 . 20 1 1 A 9 9 LEU CB C 9 41.451 43.469 -2.018 1
1 114 . 20 1 1 A 9 9 LEU N N 9 121.516 123.718 -2.202 1
1 115 . 20 1 1 A 10 10 LYS H H 10 9.251 8.964 0.287 1
1 116 . 20 1 1 A 10 10 LYS HA H 10 4.034 4.124 -0.090 1
1 123 . 20 1 1 A 10 10 LYS C C 10 179.205 176.795 2.410 1
1 124 . 20 1 1 A 10 10 LYS CA C 10 59.720 59.177 0.543 1
1 125 . 20 1 1 A 10 10 LYS CB C 10 31.834 32.103 -0.269 1
1 128 . 20 1 1 A 10 10 LYS N N 10 120.915 117.809 3.106 1
1 129 . 20 1 1 A 11 11 GLN H H 11 8.566 7.822 0.744 1
1 130 . 20 1 1 A 11 11 GLN HA H 11 4.447 4.580 -0.133 1
1 137 . 20 1 1 A 11 11 GLN C C 11 175.378 174.129 1.249 1
1 138 . 20 1 1 A 11 11 GLN CA C 11 56.019 54.959 1.060 1
1 139 . 20 1 1 A 11 11 GLN CB C 11 29.175 28.756 0.419 1
1 141 . 20 1 1 A 11 11 GLN N N 11 113.391 118.856 -5.465 1
1 143 . 20 1 1 A 12 12 ALA H H 12 7.186 7.913 -0.727 1
1 144 . 20 1 1 A 12 12 ALA HA H 12 4.506 4.703 -0.197 1
1 148 . 20 1 1 A 12 12 ALA C C 12 174.369 175.205 -0.836 1
1 149 . 20 1 1 A 12 12 ALA CA C 12 52.485 51.442 1.043 1
1 150 . 20 1 1 A 12 12 ALA CB C 12 21.424 22.471 -1.047 1
1 151 . 20 1 1 A 12 12 ALA N N 12 120.106 124.667 -4.561 1
1 152 . 20 1 1 A 13 13 LYS H H 13 8.298 8.713 -0.415 1
1 153 . 20 1 1 A 13 13 LYS HA H 13 5.392 5.511 -0.119 1
1 158 . 20 1 1 A 13 13 LYS C C 13 176.285 174.838 1.447 1
1 159 . 20 1 1 A 13 13 LYS CA C 13 55.138 54.620 0.518 1
1 160 . 20 1 1 A 13 13 LYS CB C 13 33.656 35.492 -1.836 1
1 164 . 20 1 1 A 13 13 LYS N N 13 120.804 116.964 3.840 1
1 165 . 20 1 1 A 14 14 GLU H H 14 8.640 9.301 -0.661 1
1 166 . 20 1 1 A 14 14 GLU HA H 14 4.879 4.989 -0.110 1
1 171 . 20 1 1 A 14 14 GLU C C 14 174.032 175.165 -1.133 1
1 172 . 20 1 1 A 14 14 GLU CA C 14 54.909 54.578 0.331 1
1 173 . 20 1 1 A 14 14 GLU CB C 14 34.407 32.967 1.440 1
1 175 . 20 1 1 A 14 14 GLU N N 14 123.450 123.253 0.197 1
1 176 . 20 1 1 A 15 15 GLU H H 15 8.642 8.985 -0.343 1
1 177 . 20 1 1 A 15 15 GLU HA H 15 5.631 5.103 0.528 1
1 182 . 20 1 1 A 15 15 GLU C C 15 175.503 175.542 -0.039 1
1 183 . 20 1 1 A 15 15 GLU CA C 15 54.638 54.912 -0.274 1
1 184 . 20 1 1 A 15 15 GLU CB C 15 34.147 31.684 2.463 1
1 186 . 20 1 1 A 15 15 GLU N N 15 120.056 123.128 -3.072 1
1 187 . 20 1 1 A 16 16 ALA H H 16 9.166 8.950 0.216 1
1 188 . 20 1 1 A 16 16 ALA HA H 16 4.981 5.511 -0.530 1
1 192 . 20 1 1 A 16 16 ALA C C 16 175.027 176.524 -1.497 1
1 193 . 20 1 1 A 16 16 ALA CA C 16 51.324 50.025 1.299 1
1 194 . 20 1 1 A 16 16 ALA CB C 16 22.552 21.393 1.159 1
1 195 . 20 1 1 A 16 16 ALA N N 16 124.648 127.877 -3.229 1
1 196 . 20 1 1 A 17 17 ILE H H 17 8.645 9.010 -0.365 1
1 197 . 20 1 1 A 17 17 ILE HA H 17 5.672 5.621 0.051 1
1 207 . 20 1 1 A 17 17 ILE C C 17 175.737 174.605 1.132 1
1 208 . 20 1 1 A 17 17 ILE CA C 17 59.733 58.864 0.869 1
1 209 . 20 1 1 A 17 17 ILE CB C 17 42.219 42.717 -0.498 1
1 213 . 20 1 1 A 17 17 ILE N N 17 116.684 117.511 -0.827 1
1 214 . 20 1 1 A 18 18 LYS H H 18 9.243 8.683 0.560 1
1 215 . 20 1 1 A 18 18 LYS HA H 18 4.548 4.677 -0.129 1
1 222 . 20 1 1 A 18 18 LYS C C 18 174.039 173.639 0.400 1
1 223 . 20 1 1 A 18 18 LYS CA C 18 54.956 55.596 -0.640 1
1 224 . 20 1 1 A 18 18 LYS CB C 18 37.101 36.617 0.484 1
1 228 . 20 1 1 A 18 18 LYS N N 18 123.578 122.476 1.102 1
1 229 . 20 1 1 A 19 19 GLU H H 19 8.812 8.966 -0.154 1
1 230 . 20 1 1 A 19 19 GLU HA H 19 5.184 5.301 -0.117 1
1 233 . 20 1 1 A 19 19 GLU C C 19 175.912 175.284 0.628 1
1 234 . 20 1 1 A 19 19 GLU CA C 19 55.340 55.152 0.188 1
1 235 . 20 1 1 A 19 19 GLU CB C 19 29.224 33.260 -4.036 1
1 237 . 20 1 1 A 19 19 GLU N N 19 129.720 125.442 4.278 1
1 238 . 20 1 1 A 20 20 ALA H H 20 9.425 8.488 0.937 1
1 239 . 20 1 1 A 20 20 ALA HA H 20 4.935 4.637 0.298 1
1 243 . 20 1 1 A 20 20 ALA C C 20 177.376 177.538 -0.162 1
1 244 . 20 1 1 A 20 20 ALA CA C 20 51.128 50.590 0.538 1
1 245 . 20 1 1 A 20 20 ALA CB C 20 23.405 22.165 1.240 1
1 246 . 20 1 1 A 20 20 ALA N N 20 127.622 129.102 -1.480 1
1 247 . 20 1 1 A 21 21 VAL H H 21 8.620 8.888 -0.268 1
1 248 . 20 1 1 A 21 21 VAL HA H 21 4.262 3.876 0.386 1
1 253 . 20 1 1 A 21 21 VAL C C 21 175.539 176.578 -1.039 1
1 254 . 20 1 1 A 21 21 VAL CA C 21 63.598 65.002 -1.404 1
1 255 . 20 1 1 A 21 21 VAL CB C 21 31.839 31.631 0.208 1
1 257 . 20 1 1 A 21 21 VAL N N 21 115.529 115.155 0.374 1
1 258 . 20 1 1 A 22 22 ASP H H 22 7.405 8.107 -0.702 1
1 259 . 20 1 1 A 22 22 ASP HA H 22 4.946 4.922 0.024 1
1 262 . 20 1 1 A 22 22 ASP C C 22 174.734 177.440 -2.706 1
1 263 . 20 1 1 A 22 22 ASP CA C 22 52.601 55.005 -2.404 1
1 264 . 20 1 1 A 22 22 ASP CB C 22 42.748 42.547 0.201 1
1 265 . 20 1 1 A 22 22 ASP N N 22 115.513 120.464 -4.951 1
1 266 . 20 1 1 A 23 23 ALA H H 23 8.614 7.984 0.630 1
1 267 . 20 1 1 A 23 23 ALA HA H 23 3.294 3.851 -0.557 1
1 271 . 20 1 1 A 23 23 ALA C C 23 179.849 178.369 1.480 1
1 272 . 20 1 1 A 23 23 ALA CA C 23 54.858 52.557 2.301 1
1 273 . 20 1 1 A 23 23 ALA CB C 23 17.424 20.967 -3.543 1
1 274 . 20 1 1 A 23 23 ALA N N 23 121.829 117.184 4.645 1
1 275 . 20 1 1 A 24 24 GLY H H 24 8.555 8.339 0.216 1
1 276 . 20 1 1 A 24 24 GLY HA2 H 24 3.851 3.852 -0.001 1
1 277 . 20 1 1 A 24 24 GLY HA3 H 24 3.851 3.889 -0.038 1
1 278 . 20 1 1 A 24 24 GLY C C 24 177.142 176.188 0.954 1
1 279 . 20 1 1 A 24 24 GLY CA C 24 46.839 46.965 -0.126 1
1 280 . 20 1 1 A 24 24 GLY N N 24 106.435 106.578 -0.143 1
1 281 . 20 1 1 A 25 25 THR H H 25 8.241 7.889 0.352 1
1 282 . 20 1 1 A 25 25 THR HA H 25 4.063 4.015 0.048 1
1 287 . 20 1 1 A 25 25 THR C C 25 177.054 176.063 0.991 1
1 288 . 20 1 1 A 25 25 THR CA C 25 66.635 65.042 1.593 1
1 289 . 20 1 1 A 25 25 THR CB C 25 68.068 68.768 -0.700 1
1 291 . 20 1 1 A 25 25 THR N N 25 119.981 117.604 2.377 1
1 292 . 20 1 1 A 26 26 ALA H H 26 7.100 8.166 -1.066 1
1 293 . 20 1 1 A 26 26 ALA HA H 26 3.364 3.574 -0.210 1
1 297 . 20 1 1 A 26 26 ALA C C 26 177.098 179.012 -1.914 1
1 298 . 20 1 1 A 26 26 ALA CA C 26 55.502 54.632 0.870 1
1 299 . 20 1 1 A 26 26 ALA CB C 26 17.127 17.685 -0.558 1
1 300 . 20 1 1 A 26 26 ALA N N 26 124.535 123.490 1.045 1
1 301 . 20 1 1 A 27 27 GLU H H 27 8.739 7.797 0.942 1
1 302 . 20 1 1 A 27 27 GLU HA H 27 2.941 3.930 -0.989 1
1 307 . 20 1 1 A 27 27 GLU C C 27 177.368 178.878 -1.510 1
1 308 . 20 1 1 A 27 27 GLU CA C 27 60.190 59.154 1.036 1
1 309 . 20 1 1 A 27 27 GLU CB C 27 29.225 29.480 -0.255 1
1 311 . 20 1 1 A 27 27 GLU N N 27 118.116 118.538 -0.422 1
1 312 . 20 1 1 A 28 28 LYS H H 28 7.333 7.775 -0.442 1
1 313 . 20 1 1 A 28 28 LYS HA H 28 3.764 4.117 -0.353 1
1 320 . 20 1 1 A 28 28 LYS C C 28 178.993 178.322 0.671 1
1 321 . 20 1 1 A 28 28 LYS CA C 28 59.881 58.854 1.027 1
1 322 . 20 1 1 A 28 28 LYS CB C 28 32.382 31.864 0.518 1
1 324 . 20 1 1 A 28 28 LYS N N 28 116.088 118.766 -2.678 1
1 325 . 20 1 1 A 29 29 TYR H H 29 7.016 7.890 -0.874 1
1 326 . 20 1 1 A 29 29 TYR HA H 29 4.273 4.296 -0.023 1
1 333 . 20 1 1 A 29 29 TYR C C 29 177.581 177.680 -0.099 1
1 334 . 20 1 1 A 29 29 TYR CA C 29 61.050 61.375 -0.325 1
1 335 . 20 1 1 A 29 29 TYR CB C 29 37.860 38.569 -0.709 1
1 340 . 20 1 1 A 29 29 TYR N N 29 119.155 121.222 -2.067 1
1 341 . 20 1 1 A 30 30 PHE H H 30 8.775 8.850 -0.075 1
1 342 . 20 1 1 A 30 30 PHE HA H 30 4.619 4.193 0.426 1
1 349 . 20 1 1 A 30 30 PHE C C 30 178.612 177.898 0.714 1
1 350 . 20 1 1 A 30 30 PHE CA C 30 57.312 62.432 -5.120 1
1 351 . 20 1 1 A 30 30 PHE CB C 30 37.667 38.588 -0.921 1
1 356 . 20 1 1 A 30 30 PHE N N 30 118.969 119.007 -0.038 1
1 357 . 20 1 1 A 31 31 LYS H H 31 8.977 9.025 -0.048 1
1 358 . 20 1 1 A 31 31 LYS HA H 31 4.141 4.321 -0.180 1
1 363 . 20 1 1 A 31 31 LYS C C 31 178.781 179.003 -0.222 1
1 364 . 20 1 1 A 31 31 LYS CA C 31 59.878 59.863 0.015 1
1 365 . 20 1 1 A 31 31 LYS CB C 31 31.707 32.444 -0.737 1
1 367 . 20 1 1 A 31 31 LYS N N 31 121.474 120.636 0.838 1
1 368 . 20 1 1 A 32 32 LEU H H 32 7.215 7.926 -0.711 1
1 369 . 20 1 1 A 32 32 LEU HA H 32 4.179 4.015 0.164 1
1 376 . 20 1 1 A 32 32 LEU C C 32 180.639 179.404 1.235 1
1 377 . 20 1 1 A 32 32 LEU CA C 32 57.933 58.008 -0.075 1
1 378 . 20 1 1 A 32 32 LEU CB C 32 41.283 41.579 -0.296 1
1 381 . 20 1 1 A 32 32 LEU N N 32 118.836 118.716 0.120 1
1 382 . 20 1 1 A 33 33 ILE H H 33 7.397 7.631 -0.234 1
1 383 . 20 1 1 A 33 33 ILE HA H 33 3.896 3.867 0.029 1
1 388 . 20 1 1 A 33 33 ILE C C 33 178.546 177.865 0.681 1
1 389 . 20 1 1 A 33 33 ILE CA C 33 63.892 63.726 0.166 1
1 390 . 20 1 1 A 33 33 ILE CB C 33 37.582 37.660 -0.078 1
1 393 . 20 1 1 A 33 33 ILE N N 33 118.838 119.833 -0.995 1
1 394 . 20 1 1 A 34 34 ALA H H 34 8.593 8.549 0.044 1
1 395 . 20 1 1 A 34 34 ALA HA H 34 3.984 4.027 -0.043 1
1 399 . 20 1 1 A 34 34 ALA C C 34 179.571 180.431 -0.860 1
1 400 . 20 1 1 A 34 34 ALA CA C 34 55.141 55.766 -0.625 1
1 401 . 20 1 1 A 34 34 ALA CB C 34 18.671 18.450 0.221 1
1 402 . 20 1 1 A 34 34 ALA N N 34 121.471 124.014 -2.543 1
1 403 . 20 1 1 A 35 35 ASN H H 35 8.503 8.557 -0.054 1
1 404 . 20 1 1 A 35 35 ASN HA H 35 4.707 4.563 0.144 1
1 409 . 20 1 1 A 35 35 ASN C C 35 177.434 176.837 0.597 1
1 410 . 20 1 1 A 35 35 ASN CA C 35 55.732 55.994 -0.262 1
1 411 . 20 1 1 A 35 35 ASN CB C 35 38.224 38.302 -0.078 1
1 412 . 20 1 1 A 35 35 ASN N N 35 116.283 117.190 -0.907 1
1 414 . 20 1 1 A 36 36 ALA H H 36 7.610 7.518 0.092 1
1 415 . 20 1 1 A 36 36 ALA HA H 36 4.363 4.262 0.101 1
1 419 . 20 1 1 A 36 36 ALA C C 36 178.715 177.770 0.945 1
1 420 . 20 1 1 A 36 36 ALA CA C 36 54.004 52.179 1.825 1
1 421 . 20 1 1 A 36 36 ALA CB C 36 19.224 18.926 0.298 1
1 422 . 20 1 1 A 36 36 ALA N N 36 120.620 120.748 -0.128 1
1 423 . 20 1 1 A 37 37 LYS H H 37 7.673 7.993 -0.320 1
1 424 . 20 1 1 A 37 37 LYS HA H 37 4.436 4.326 0.110 1
1 431 . 20 1 1 A 37 37 LYS C C 37 175.876 177.752 -1.876 1
1 432 . 20 1 1 A 37 37 LYS CA C 37 56.284 57.015 -0.731 1
1 433 . 20 1 1 A 37 37 LYS CB C 37 34.026 34.020 0.006 1
1 437 . 20 1 1 A 37 37 LYS N N 37 116.344 116.567 -0.223 1
1 438 . 20 1 1 A 38 38 THR H H 38 8.122 7.449 0.673 1
1 439 . 20 1 1 A 38 38 THR HA H 38 4.409 4.457 -0.048 1
1 444 . 20 1 1 A 38 38 THR C C 38 172.766 175.270 -2.504 1
1 445 . 20 1 1 A 38 38 THR CA C 38 61.468 62.075 -0.607 1
1 446 . 20 1 1 A 38 38 THR CB C 38 69.124 70.754 -1.630 1
1 448 . 20 1 1 A 38 38 THR N N 38 113.585 106.401 7.184 1
1 449 . 20 1 1 A 39 39 VAL H H 39 8.254 7.594 0.660 1
1 450 . 20 1 1 A 39 39 VAL HA H 39 4.399 3.712 0.687 1
1 455 . 20 1 1 A 39 39 VAL C C 39 176.183 174.453 1.730 1
1 456 . 20 1 1 A 39 39 VAL CA C 39 62.431 63.278 -0.847 1
1 457 . 20 1 1 A 39 39 VAL CB C 39 32.795 29.308 3.487 1
1 459 . 20 1 1 A 39 39 VAL N N 39 120.756 117.427 3.329 1
1 460 . 20 1 1 A 40 40 GLU H H 40 8.732 7.701 1.031 1
1 461 . 20 1 1 A 40 40 GLU HA H 40 4.711 4.849 -0.138 1
1 464 . 20 1 1 A 40 40 GLU C C 40 175.571 175.386 0.185 1
1 465 . 20 1 1 A 40 40 GLU CA C 40 55.569 56.517 -0.948 1
1 466 . 20 1 1 A 40 40 GLU CB C 40 30.469 32.971 -2.502 1
1 468 . 20 1 1 A 40 40 GLU N N 40 124.791 119.450 5.341 1
1 469 . 20 1 1 A 41 41 GLY H H 41 8.145 8.463 -0.318 1
1 470 . 20 1 1 A 41 41 GLY HA2 H 41 4.236 4.167 0.069 1
1 471 . 20 1 1 A 41 41 GLY HA3 H 41 3.589 4.182 -0.593 1
1 472 . 20 1 1 A 41 41 GLY C C 41 172.517 172.549 -0.032 1
1 473 . 20 1 1 A 41 41 GLY CA C 41 45.203 45.696 -0.493 1
1 474 . 20 1 1 A 41 41 GLY N N 41 107.758 111.415 -3.657 1
1 475 . 20 1 1 A 42 42 VAL H H 42 8.490 8.958 -0.468 1
1 476 . 20 1 1 A 42 42 VAL HA H 42 4.525 5.056 -0.531 1
1 481 . 20 1 1 A 42 42 VAL C C 42 176.739 174.829 1.910 1
1 482 . 20 1 1 A 42 42 VAL CA C 42 62.354 60.600 1.754 1
1 483 . 20 1 1 A 42 42 VAL CB C 42 33.355 33.414 -0.059 1
1 485 . 20 1 1 A 42 42 VAL N N 42 121.959 115.296 6.663 1
1 486 . 20 1 1 A 43 43 TRP H H 43 9.465 8.996 0.469 1
1 487 . 20 1 1 A 43 43 TRP HA H 43 5.375 5.115 0.260 1
1 495 . 20 1 1 A 43 43 TRP C C 43 177.127 176.431 0.696 1
1 496 . 20 1 1 A 43 43 TRP CA C 43 58.056 58.077 -0.021 1
1 497 . 20 1 1 A 43 43 TRP CB C 43 29.740 29.536 0.204 1
1 502 . 20 1 1 A 43 43 TRP N N 43 130.804 128.466 2.338 1
1 504 . 20 1 1 A 44 44 THR H H 44 9.380 9.533 -0.153 1
1 505 . 20 1 1 A 44 44 THR HA H 44 4.908 5.354 -0.446 1
1 510 . 20 1 1 A 44 44 THR C C 44 172.803 173.035 -0.232 1
1 511 . 20 1 1 A 44 44 THR CA C 44 61.075 59.949 1.126 1
1 512 . 20 1 1 A 44 44 THR CB C 44 72.681 72.437 0.244 1
1 514 . 20 1 1 A 44 44 THR N N 44 115.117 114.324 0.793 1
1 515 . 20 1 1 A 45 45 TYR H H 45 8.773 8.949 -0.176 1
1 516 . 20 1 1 A 45 45 TYR HA H 45 5.143 5.850 -0.707 1
1 521 . 20 1 1 A 45 45 TYR C C 45 174.047 173.056 0.991 1
1 522 . 20 1 1 A 45 45 TYR CA C 45 57.154 56.777 0.377 1
1 523 . 20 1 1 A 45 45 TYR CB C 45 41.212 42.795 -1.583 1
1 526 . 20 1 1 A 45 45 TYR N N 45 121.946 121.630 0.316 1
1 527 . 20 1 1 A 46 46 LYS H H 46 7.505 9.203 -1.698 1
1 528 . 20 1 1 A 46 46 LYS HA H 46 4.457 4.617 -0.160 1
1 533 . 20 1 1 A 46 46 LYS C C 46 175.444 173.859 1.585 1
1 534 . 20 1 1 A 46 46 LYS CA C 46 53.992 53.848 0.144 1
1 535 . 20 1 1 A 46 46 LYS CB C 46 33.875 35.526 -1.651 1
1 539 . 20 1 1 A 46 46 LYS N N 46 128.658 126.867 1.791 1
1 540 . 20 1 1 A 47 47 ASP H H 47 8.807 8.570 0.237 1
1 541 . 20 1 1 A 47 47 ASP HA H 47 4.135 4.589 -0.454 1
1 544 . 20 1 1 A 47 47 ASP C C 47 179.380 175.920 3.460 1
1 545 . 20 1 1 A 47 47 ASP CA C 47 57.464 53.604 3.860 1
1 546 . 20 1 1 A 47 47 ASP CB C 47 42.288 41.526 0.762 1
1 547 . 20 1 1 A 47 47 ASP N N 47 126.643 126.081 0.562 1
1 548 . 20 1 1 A 48 48 GLU H H 48 9.909 8.756 1.153 1
1 549 . 20 1 1 A 48 48 GLU HA H 48 4.172 4.312 -0.140 1
1 554 . 20 1 1 A 48 48 GLU C C 48 177.317 177.053 0.264 1
1 555 . 20 1 1 A 48 48 GLU CA C 48 59.979 57.347 2.632 1
1 556 . 20 1 1 A 48 48 GLU CB C 48 28.699 32.503 -3.804 1
1 558 . 20 1 1 A 48 48 GLU N N 48 118.400 123.581 -5.181 1
1 559 . 20 1 1 A 49 49 ILE H H 49 6.510 7.787 -1.277 1
1 560 . 20 1 1 A 49 49 ILE HA H 49 4.697 4.265 0.432 1
1 568 . 20 1 1 A 49 49 ILE C C 49 175.868 175.326 0.542 1
1 569 . 20 1 1 A 49 49 ILE CA C 49 60.318 60.720 -0.402 1
1 570 . 20 1 1 A 49 49 ILE CB C 49 38.324 38.090 0.234 1
1 574 . 20 1 1 A 49 49 ILE N N 49 105.782 117.240 -11.458 1
1 575 . 20 1 1 A 50 50 LYS H H 50 7.991 7.811 0.180 1
1 576 . 20 1 1 A 50 50 LYS HA H 50 4.336 4.033 0.303 1
1 581 . 20 1 1 A 50 50 LYS C C 50 174.829 175.042 -0.213 1
1 582 . 20 1 1 A 50 50 LYS CA C 50 55.959 56.772 -0.813 1
1 583 . 20 1 1 A 50 50 LYS CB C 50 29.232 30.692 -1.460 1
1 585 . 20 1 1 A 50 50 LYS N N 50 124.329 119.243 5.086 1
1 586 . 20 1 1 A 51 51 THR H H 51 7.174 7.274 -0.100 1
1 587 . 20 1 1 A 51 51 THR HA H 51 5.774 5.207 0.567 1
1 592 . 20 1 1 A 51 51 THR C C 51 173.893 172.451 1.442 1
1 593 . 20 1 1 A 51 51 THR CA C 51 62.217 60.187 2.030 1
1 594 . 20 1 1 A 51 51 THR CB C 51 73.248 71.785 1.463 1
1 596 . 20 1 1 A 51 51 THR N N 51 109.849 110.973 -1.124 1
1 597 . 20 1 1 A 52 52 PHE H H 52 10.338 9.465 0.873 1
1 598 . 20 1 1 A 52 52 PHE HA H 52 5.693 5.858 -0.165 1
1 605 . 20 1 1 A 52 52 PHE C C 52 174.361 175.277 -0.916 1
1 606 . 20 1 1 A 52 52 PHE CA C 52 57.260 57.146 0.114 1
1 607 . 20 1 1 A 52 52 PHE CB C 52 42.130 41.947 0.183 1
1 612 . 20 1 1 A 52 52 PHE N N 52 130.662 122.003 8.659 1
1 613 . 20 1 1 A 53 53 THR H H 53 9.262 9.492 -0.230 1
1 614 . 20 1 1 A 53 53 THR HA H 53 5.288 4.776 0.512 1
1 619 . 20 1 1 A 53 53 THR C C 53 172.678 173.170 -0.492 1
1 620 . 20 1 1 A 53 53 THR CA C 53 61.511 61.170 0.341 1
1 621 . 20 1 1 A 53 53 THR CB C 53 70.861 72.330 -1.469 1
1 623 . 20 1 1 A 53 53 THR N N 53 118.205 114.363 3.842 1
1 624 . 20 1 1 A 54 54 VAL H H 54 8.628 8.918 -0.290 1
1 625 . 20 1 1 A 54 54 VAL HA H 54 4.599 5.066 -0.467 1
1 633 . 20 1 1 A 54 54 VAL C C 54 174.090 174.279 -0.189 1
1 634 . 20 1 1 A 54 54 VAL CA C 54 59.646 60.145 -0.499 1
1 635 . 20 1 1 A 54 54 VAL CB C 54 32.737 33.630 -0.893 1
1 637 . 20 1 1 A 54 54 VAL N N 54 125.183 123.088 2.095 1
1 638 . 20 1 1 A 55 55 THR H H 55 8.434 8.678 -0.244 1
1 639 . 20 1 1 A 55 55 THR HA H 55 4.951 4.847 0.104 1
1 644 . 20 1 1 A 55 55 THR C C 55 173.695 172.887 0.808 1
1 645 . 20 1 1 A 55 55 THR CA C 55 61.219 61.521 -0.302 1
1 646 . 20 1 1 A 55 55 THR CB C 55 71.454 69.944 1.510 1
1 648 . 20 1 1 A 55 55 THR N N 55 122.255 124.250 -1.995 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 1.035 1
2 1 1 1 "RMS(OBS, PRED)" CA 54 1.420 1
3 1 1 1 "RMS(OBS, PRED)" CB 52 1.272 1
4 1 1 1 "RMS(OBS, PRED)" H 54 0.520 1
5 1 1 1 "RMS(OBS, PRED)" HA 56 0.331 1
6 1 1 1 "RMS(OBS, PRED)" N 54 3.683 1
7 1 2 1 "RMS(OBS, PRED)" C 54 1.034 1
8 1 2 1 "RMS(OBS, PRED)" CA 54 1.336 1
9 1 2 1 "RMS(OBS, PRED)" CB 52 1.296 1
10 1 2 1 "RMS(OBS, PRED)" H 54 0.555 1
11 1 2 1 "RMS(OBS, PRED)" HA 56 0.324 1
12 1 2 1 "RMS(OBS, PRED)" N 54 3.283 1
13 1 3 1 "RMS(OBS, PRED)" C 54 1.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 54 1.314 1
15 1 3 1 "RMS(OBS, PRED)" CB 52 1.375 1
16 1 3 1 "RMS(OBS, PRED)" H 54 0.566 1
17 1 3 1 "RMS(OBS, PRED)" HA 56 0.337 1
18 1 3 1 "RMS(OBS, PRED)" N 54 3.725 1
19 1 4 1 "RMS(OBS, PRED)" C 54 1.028 1
20 1 4 1 "RMS(OBS, PRED)" CA 54 1.285 1
21 1 4 1 "RMS(OBS, PRED)" CB 52 1.356 1
22 1 4 1 "RMS(OBS, PRED)" H 54 0.575 1
23 1 4 1 "RMS(OBS, PRED)" HA 56 0.350 1
24 1 4 1 "RMS(OBS, PRED)" N 54 3.619 1
25 1 5 1 "RMS(OBS, PRED)" C 54 1.301 1
26 1 5 1 "RMS(OBS, PRED)" CA 54 1.358 1
27 1 5 1 "RMS(OBS, PRED)" CB 52 1.481 1
28 1 5 1 "RMS(OBS, PRED)" H 54 0.619 1
29 1 5 1 "RMS(OBS, PRED)" HA 56 0.347 1
30 1 5 1 "RMS(OBS, PRED)" N 54 3.589 1
31 1 6 1 "RMS(OBS, PRED)" C 54 1.021 1
32 1 6 1 "RMS(OBS, PRED)" CA 54 1.224 1
33 1 6 1 "RMS(OBS, PRED)" CB 52 1.408 1
34 1 6 1 "RMS(OBS, PRED)" H 54 0.520 1
35 1 6 1 "RMS(OBS, PRED)" HA 56 0.313 1
36 1 6 1 "RMS(OBS, PRED)" N 54 3.335 1
37 1 7 1 "RMS(OBS, PRED)" C 54 1.062 1
38 1 7 1 "RMS(OBS, PRED)" CA 54 1.395 1
39 1 7 1 "RMS(OBS, PRED)" CB 52 1.538 1
40 1 7 1 "RMS(OBS, PRED)" H 54 0.531 1
41 1 7 1 "RMS(OBS, PRED)" HA 56 0.329 1
42 1 7 1 "RMS(OBS, PRED)" N 54 2.883 1
43 1 8 1 "RMS(OBS, PRED)" C 54 0.897 1
44 1 8 1 "RMS(OBS, PRED)" CA 54 1.151 1
45 1 8 1 "RMS(OBS, PRED)" CB 52 1.288 1
46 1 8 1 "RMS(OBS, PRED)" H 54 0.589 1
47 1 8 1 "RMS(OBS, PRED)" HA 56 0.326 1
48 1 8 1 "RMS(OBS, PRED)" N 54 3.214 1
49 1 9 1 "RMS(OBS, PRED)" C 54 1.110 1
50 1 9 1 "RMS(OBS, PRED)" CA 54 1.408 1
51 1 9 1 "RMS(OBS, PRED)" CB 52 1.370 1
52 1 9 1 "RMS(OBS, PRED)" H 54 0.593 1
53 1 9 1 "RMS(OBS, PRED)" HA 56 0.319 1
54 1 9 1 "RMS(OBS, PRED)" N 54 3.767 1
55 1 10 1 "RMS(OBS, PRED)" C 54 1.136 1
56 1 10 1 "RMS(OBS, PRED)" CA 54 1.458 1
57 1 10 1 "RMS(OBS, PRED)" CB 52 1.617 1
58 1 10 1 "RMS(OBS, PRED)" H 54 0.549 1
59 1 10 1 "RMS(OBS, PRED)" HA 56 0.366 1
60 1 10 1 "RMS(OBS, PRED)" N 54 3.638 1
61 1 11 1 "RMS(OBS, PRED)" C 54 1.008 1
62 1 11 1 "RMS(OBS, PRED)" CA 54 1.201 1
63 1 11 1 "RMS(OBS, PRED)" CB 52 1.347 1
64 1 11 1 "RMS(OBS, PRED)" H 54 0.543 1
65 1 11 1 "RMS(OBS, PRED)" HA 56 0.324 1
66 1 11 1 "RMS(OBS, PRED)" N 54 3.033 1
67 1 12 1 "RMS(OBS, PRED)" C 54 1.160 1
68 1 12 1 "RMS(OBS, PRED)" CA 54 1.382 1
69 1 12 1 "RMS(OBS, PRED)" CB 52 1.460 1
70 1 12 1 "RMS(OBS, PRED)" H 54 0.550 1
71 1 12 1 "RMS(OBS, PRED)" HA 56 0.315 1
72 1 12 1 "RMS(OBS, PRED)" N 54 3.101 1
73 1 13 1 "RMS(OBS, PRED)" C 54 1.193 1
74 1 13 1 "RMS(OBS, PRED)" CA 54 1.417 1
75 1 13 1 "RMS(OBS, PRED)" CB 52 1.370 1
76 1 13 1 "RMS(OBS, PRED)" H 54 0.576 1
77 1 13 1 "RMS(OBS, PRED)" HA 56 0.350 1
78 1 13 1 "RMS(OBS, PRED)" N 54 3.766 1
79 1 14 1 "RMS(OBS, PRED)" C 54 1.234 1
80 1 14 1 "RMS(OBS, PRED)" CA 54 1.336 1
81 1 14 1 "RMS(OBS, PRED)" CB 52 1.503 1
82 1 14 1 "RMS(OBS, PRED)" H 54 0.582 1
83 1 14 1 "RMS(OBS, PRED)" HA 56 0.329 1
84 1 14 1 "RMS(OBS, PRED)" N 54 4.031 1
85 1 15 1 "RMS(OBS, PRED)" C 54 1.112 1
86 1 15 1 "RMS(OBS, PRED)" CA 54 1.248 1
87 1 15 1 "RMS(OBS, PRED)" CB 52 1.293 1
88 1 15 1 "RMS(OBS, PRED)" H 54 0.586 1
89 1 15 1 "RMS(OBS, PRED)" HA 56 0.346 1
90 1 15 1 "RMS(OBS, PRED)" N 54 3.300 1
91 1 16 1 "RMS(OBS, PRED)" C 54 1.078 1
92 1 16 1 "RMS(OBS, PRED)" CA 54 1.438 1
93 1 16 1 "RMS(OBS, PRED)" CB 52 1.379 1
94 1 16 1 "RMS(OBS, PRED)" H 54 0.557 1
95 1 16 1 "RMS(OBS, PRED)" HA 56 0.339 1
96 1 16 1 "RMS(OBS, PRED)" N 54 3.270 1
97 1 17 1 "RMS(OBS, PRED)" C 54 1.090 1
98 1 17 1 "RMS(OBS, PRED)" CA 54 1.371 1
99 1 17 1 "RMS(OBS, PRED)" CB 52 1.339 1
100 1 17 1 "RMS(OBS, PRED)" H 54 0.508 1
101 1 17 1 "RMS(OBS, PRED)" HA 56 0.341 1
102 1 17 1 "RMS(OBS, PRED)" N 54 3.448 1
103 1 18 1 "RMS(OBS, PRED)" C 54 1.131 1
104 1 18 1 "RMS(OBS, PRED)" CA 54 1.487 1
105 1 18 1 "RMS(OBS, PRED)" CB 52 1.355 1
106 1 18 1 "RMS(OBS, PRED)" H 54 0.512 1
107 1 18 1 "RMS(OBS, PRED)" HA 56 0.339 1
108 1 18 1 "RMS(OBS, PRED)" N 54 3.424 1
109 1 19 1 "RMS(OBS, PRED)" C 54 1.112 1
110 1 19 1 "RMS(OBS, PRED)" CA 54 1.407 1
111 1 19 1 "RMS(OBS, PRED)" CB 52 1.396 1
112 1 19 1 "RMS(OBS, PRED)" H 54 0.548 1
113 1 19 1 "RMS(OBS, PRED)" HA 56 0.356 1
114 1 19 1 "RMS(OBS, PRED)" N 54 3.843 1
115 1 20 1 "RMS(OBS, PRED)" C 54 1.252 1
116 1 20 1 "RMS(OBS, PRED)" CA 54 1.322 1
117 1 20 1 "RMS(OBS, PRED)" CB 52 1.527 1
118 1 20 1 "RMS(OBS, PRED)" H 54 0.608 1
119 1 20 1 "RMS(OBS, PRED)" HA 56 0.348 1
120 1 20 1 "RMS(OBS, PRED)" N 54 3.657 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 9 . 1 1 A 2 2 THR H H 2 8.931 8.381 0.550 2
1 10 . 1 1 A 2 2 THR HA H 2 4.504 4.972 -0.468 2
1 15 . 1 1 A 2 2 THR C C 2 172.828 172.995 -0.168 2
1 16 . 1 1 A 2 2 THR CA C 2 63.506 60.931 2.574 2
1 17 . 1 1 A 2 2 THR CB C 2 68.833 70.310 -1.477 2
1 19 . 1 1 A 2 2 THR N N 2 124.414 116.247 8.167 2
1 20 . 1 1 A 3 3 TYR H H 3 9.041 9.058 -0.017 2
1 21 . 1 1 A 3 3 TYR HA H 3 5.453 5.596 -0.143 2
1 26 . 1 1 A 3 3 TYR C C 3 174.672 175.752 -1.080 2
1 27 . 1 1 A 3 3 TYR CA C 3 57.886 57.124 0.762 2
1 28 . 1 1 A 3 3 TYR CB C 3 42.295 41.739 0.556 2
1 31 . 1 1 A 3 3 TYR N N 3 127.469 126.003 1.466 2
1 32 . 1 1 A 4 4 LYS H H 4 9.046 8.625 0.421 2
1 33 . 1 1 A 4 4 LYS HA H 4 5.547 5.576 -0.029 2
1 40 . 1 1 A 4 4 LYS C C 4 173.092 175.023 -1.931 2
1 41 . 1 1 A 4 4 LYS CA C 4 55.112 54.952 0.160 2
1 42 . 1 1 A 4 4 LYS CB C 4 35.889 36.465 -0.576 2
1 46 . 1 1 A 4 4 LYS N N 4 121.164 121.303 -0.139 2
1 47 . 1 1 A 5 5 LEU H H 5 9.017 9.460 -0.443 2
1 48 . 1 1 A 5 5 LEU HA H 5 5.095 5.559 -0.464 2
1 58 . 1 1 A 5 5 LEU C C 5 174.914 174.335 0.579 2
1 59 . 1 1 A 5 5 LEU CA C 5 52.648 53.585 -0.937 2
1 60 . 1 1 A 5 5 LEU CB C 5 43.729 45.045 -1.316 2
1 63 . 1 1 A 5 5 LEU N N 5 126.371 123.939 2.432 2
1 64 . 1 1 A 6 6 ILE H H 6 9.129 9.198 -0.069 2
1 65 . 1 1 A 6 6 ILE HA H 6 4.502 4.670 -0.168 2
1 70 . 1 1 A 6 6 ILE C C 6 174.654 174.549 0.105 2
1 71 . 1 1 A 6 6 ILE CA C 6 60.366 60.246 0.120 2
1 72 . 1 1 A 6 6 ILE CB C 6 38.760 38.600 0.160 2
1 76 . 1 1 A 6 6 ILE N N 6 126.264 127.229 -0.965 2
1 77 . 1 1 A 7 7 LEU H H 7 8.956 9.151 -0.195 2
1 78 . 1 1 A 7 7 LEU HA H 7 4.570 5.002 -0.432 2
1 84 . 1 1 A 7 7 LEU C C 7 174.493 175.288 -0.795 2
1 85 . 1 1 A 7 7 LEU CA C 7 53.644 53.388 0.256 2
1 86 . 1 1 A 7 7 LEU CB C 7 41.339 43.223 -1.884 2
1 89 . 1 1 A 7 7 LEU N N 7 126.422 128.485 -2.063 2
1 90 . 1 1 A 8 8 ASN H H 8 9.065 8.890 0.175 2
1 91 . 1 1 A 8 8 ASN HA H 8 5.181 5.315 -0.134 2
1 96 . 1 1 A 8 8 ASN C C 8 174.434 174.107 0.327 2
1 97 . 1 1 A 8 8 ASN CA C 8 51.851 51.955 -0.104 2
1 98 . 1 1 A 8 8 ASN CB C 8 37.869 40.498 -2.629 2
1 99 . 1 1 A 8 8 ASN N N 8 125.633 123.770 1.863 2
1 101 . 1 1 A 9 9 LEU H H 9 7.720 8.620 -0.900 2
1 102 . 1 1 A 9 9 LEU HA H 9 4.754 4.939 -0.185 2
1 109 . 1 1 A 9 9 LEU C C 9 177.207 176.905 0.302 2
1 110 . 1 1 A 9 9 LEU CA C 9 53.431 52.756 0.675 2
1 111 . 1 1 A 9 9 LEU CB C 9 41.451 44.275 -2.824 2
1 114 . 1 1 A 9 9 LEU N N 9 121.516 124.210 -2.694 2
1 115 . 1 1 A 10 10 LYS H H 10 9.251 8.646 0.605 2
1 116 . 1 1 A 10 10 LYS HA H 10 4.034 4.251 -0.217 2
1 123 . 1 1 A 10 10 LYS C C 10 179.205 176.214 2.991 2
1 124 . 1 1 A 10 10 LYS CA C 10 59.720 57.092 2.628 2
1 125 . 1 1 A 10 10 LYS CB C 10 31.834 31.400 0.434 2
1 128 . 1 1 A 10 10 LYS N N 10 120.915 119.707 1.208 2
1 129 . 1 1 A 11 11 GLN H H 11 8.566 7.886 0.680 2
1 130 . 1 1 A 11 11 GLN HA H 11 4.447 4.533 -0.086 2
1 137 . 1 1 A 11 11 GLN C C 11 175.378 174.905 0.473 2
1 138 . 1 1 A 11 11 GLN CA C 11 56.019 55.873 0.146 2
1 139 . 1 1 A 11 11 GLN CB C 11 29.175 30.281 -1.106 2
1 141 . 1 1 A 11 11 GLN N N 11 113.391 119.994 -6.603 2
1 143 . 1 1 A 12 12 ALA H H 12 7.186 7.982 -0.796 2
1 144 . 1 1 A 12 12 ALA HA H 12 4.506 4.371 0.135 2
1 148 . 1 1 A 12 12 ALA C C 12 174.369 175.657 -1.288 2
1 149 . 1 1 A 12 12 ALA CA C 12 52.485 52.633 -0.148 2
1 150 . 1 1 A 12 12 ALA CB C 12 21.424 20.220 1.204 2
1 151 . 1 1 A 12 12 ALA N N 12 120.106 122.894 -2.788 2
1 152 . 1 1 A 13 13 LYS H H 13 8.298 8.619 -0.321 2
1 153 . 1 1 A 13 13 LYS HA H 13 5.392 5.082 0.310 2
1 158 . 1 1 A 13 13 LYS C C 13 176.285 174.886 1.399 2
1 159 . 1 1 A 13 13 LYS CA C 13 55.138 54.941 0.197 2
1 160 . 1 1 A 13 13 LYS CB C 13 33.656 35.094 -1.438 2
1 164 . 1 1 A 13 13 LYS N N 13 120.804 119.998 0.806 2
1 165 . 1 1 A 14 14 GLU H H 14 8.640 8.653 -0.013 2
1 166 . 1 1 A 14 14 GLU HA H 14 4.879 5.000 -0.121 2
1 171 . 1 1 A 14 14 GLU C C 14 174.032 174.951 -0.919 2
1 172 . 1 1 A 14 14 GLU CA C 14 54.909 54.642 0.267 2
1 173 . 1 1 A 14 14 GLU CB C 14 34.407 33.317 1.090 2
1 175 . 1 1 A 14 14 GLU N N 14 123.450 124.337 -0.887 2
1 176 . 1 1 A 15 15 GLU H H 15 8.642 8.839 -0.197 2
1 177 . 1 1 A 15 15 GLU HA H 15 5.631 5.067 0.564 2
1 182 . 1 1 A 15 15 GLU C C 15 175.503 175.308 0.195 2
1 183 . 1 1 A 15 15 GLU CA C 15 54.638 54.917 -0.279 2
1 184 . 1 1 A 15 15 GLU CB C 15 34.147 32.156 1.991 2
1 186 . 1 1 A 15 15 GLU N N 15 120.056 123.361 -3.305 2
1 187 . 1 1 A 16 16 ALA H H 16 9.166 9.247 -0.081 2
1 188 . 1 1 A 16 16 ALA HA H 16 4.981 5.598 -0.617 2
1 192 . 1 1 A 16 16 ALA C C 16 175.027 176.469 -1.442 2
1 193 . 1 1 A 16 16 ALA CA C 16 51.324 50.007 1.317 2
1 194 . 1 1 A 16 16 ALA CB C 16 22.552 22.096 0.456 2
1 195 . 1 1 A 16 16 ALA N N 16 124.648 126.585 -1.936 2
1 196 . 1 1 A 17 17 ILE H H 17 8.645 9.076 -0.431 2
1 197 . 1 1 A 17 17 ILE HA H 17 5.672 5.589 0.083 2
1 207 . 1 1 A 17 17 ILE C C 17 175.737 174.554 1.183 2
1 208 . 1 1 A 17 17 ILE CA C 17 59.733 59.005 0.728 2
1 209 . 1 1 A 17 17 ILE CB C 17 42.219 42.701 -0.482 2
1 213 . 1 1 A 17 17 ILE N N 17 116.684 117.460 -0.776 2
1 214 . 1 1 A 18 18 LYS H H 18 9.243 8.589 0.654 2
1 215 . 1 1 A 18 18 LYS HA H 18 4.548 4.669 -0.121 2
1 222 . 1 1 A 18 18 LYS C C 18 174.039 173.897 0.142 2
1 223 . 1 1 A 18 18 LYS CA C 18 54.956 55.719 -0.764 2
1 224 . 1 1 A 18 18 LYS CB C 18 37.101 36.389 0.712 2
1 228 . 1 1 A 18 18 LYS N N 18 123.578 122.126 1.452 2
1 229 . 1 1 A 19 19 GLU H H 19 8.812 8.743 0.069 2
1 230 . 1 1 A 19 19 GLU HA H 19 5.184 5.155 0.029 2
1 233 . 1 1 A 19 19 GLU C C 19 175.912 175.586 0.326 2
1 234 . 1 1 A 19 19 GLU CA C 19 55.340 55.273 0.067 2
1 235 . 1 1 A 19 19 GLU CB C 19 29.224 31.379 -2.155 2
1 237 . 1 1 A 19 19 GLU N N 19 129.720 125.261 4.459 2
1 238 . 1 1 A 20 20 ALA H H 20 9.425 8.676 0.749 2
1 239 . 1 1 A 20 20 ALA HA H 20 4.935 4.922 0.013 2
1 243 . 1 1 A 20 20 ALA C C 20 177.376 177.460 -0.084 2
1 244 . 1 1 A 20 20 ALA CA C 20 51.128 50.608 0.520 2
1 245 . 1 1 A 20 20 ALA CB C 20 23.405 22.984 0.421 2
1 246 . 1 1 A 20 20 ALA N N 20 127.622 127.896 -0.274 2
1 247 . 1 1 A 21 21 VAL H H 21 8.620 8.606 0.014 2
1 248 . 1 1 A 21 21 VAL HA H 21 4.262 4.101 0.161 2
1 253 . 1 1 A 21 21 VAL C C 21 175.539 175.318 0.221 2
1 254 . 1 1 A 21 21 VAL CA C 21 63.598 63.427 0.171 2
1 255 . 1 1 A 21 21 VAL CB C 21 31.839 31.866 -0.027 2
1 257 . 1 1 A 21 21 VAL N N 21 115.529 118.017 -2.488 2
1 258 . 1 1 A 22 22 ASP H H 22 7.405 7.884 -0.479 2
1 259 . 1 1 A 22 22 ASP HA H 22 4.946 4.984 -0.038 2
1 262 . 1 1 A 22 22 ASP C C 22 174.734 175.538 -0.804 2
1 263 . 1 1 A 22 22 ASP CA C 22 52.601 52.758 -0.157 2
1 264 . 1 1 A 22 22 ASP CB C 22 42.748 43.231 -0.483 2
1 265 . 1 1 A 22 22 ASP N N 22 115.513 119.913 -4.400 2
1 266 . 1 1 A 23 23 ALA H H 23 8.614 8.383 0.231 2
1 267 . 1 1 A 23 23 ALA HA H 23 3.294 3.640 -0.346 2
1 271 . 1 1 A 23 23 ALA C C 23 179.849 179.011 0.838 2
1 272 . 1 1 A 23 23 ALA CA C 23 54.858 53.173 1.685 2
1 273 . 1 1 A 23 23 ALA CB C 23 17.424 19.799 -2.375 2
1 274 . 1 1 A 23 23 ALA N N 23 121.829 121.549 0.280 2
1 275 . 1 1 A 24 24 GLY H H 24 8.555 8.390 0.165 2
1 276 . 1 1 A 24 24 GLY HA2 H 24 3.851 3.830 0.021 2
1 277 . 1 1 A 24 24 GLY HA3 H 24 3.851 3.854 -0.003 2
1 278 . 1 1 A 24 24 GLY C C 24 177.142 176.386 0.756 2
1 279 . 1 1 A 24 24 GLY CA C 24 46.839 46.861 -0.022 2
1 280 . 1 1 A 24 24 GLY N N 24 106.435 106.436 -0.001 2
1 281 . 1 1 A 25 25 THR H H 25 8.241 7.849 0.392 2
1 282 . 1 1 A 25 25 THR HA H 25 4.063 4.051 0.012 2
1 287 . 1 1 A 25 25 THR C C 25 177.054 176.039 1.015 2
1 288 . 1 1 A 25 25 THR CA C 25 66.635 65.136 1.499 2
1 289 . 1 1 A 25 25 THR CB C 25 68.068 68.604 -0.536 2
1 291 . 1 1 A 25 25 THR N N 25 119.981 117.350 2.631 2
1 292 . 1 1 A 26 26 ALA H H 26 7.100 7.998 -0.898 2
1 293 . 1 1 A 26 26 ALA HA H 26 3.364 3.632 -0.268 2
1 297 . 1 1 A 26 26 ALA C C 26 177.098 178.979 -1.881 2
1 298 . 1 1 A 26 26 ALA CA C 26 55.502 54.672 0.830 2
1 299 . 1 1 A 26 26 ALA CB C 26 17.127 17.533 -0.406 2
1 300 . 1 1 A 26 26 ALA N N 26 124.535 123.764 0.771 2
1 301 . 1 1 A 27 27 GLU H H 27 8.739 8.206 0.533 2
1 302 . 1 1 A 27 27 GLU HA H 27 2.941 3.854 -0.913 2
1 307 . 1 1 A 27 27 GLU C C 27 177.368 178.609 -1.241 2
1 308 . 1 1 A 27 27 GLU CA C 27 60.190 59.470 0.720 2
1 309 . 1 1 A 27 27 GLU CB C 27 29.225 29.062 0.163 2
1 311 . 1 1 A 27 27 GLU N N 27 118.116 118.465 -0.349 2
1 312 . 1 1 A 28 28 LYS H H 28 7.333 7.553 -0.220 2
1 313 . 1 1 A 28 28 LYS HA H 28 3.764 4.063 -0.299 2
1 320 . 1 1 A 28 28 LYS C C 28 178.993 178.474 0.519 2
1 321 . 1 1 A 28 28 LYS CA C 28 59.881 58.823 1.058 2
1 322 . 1 1 A 28 28 LYS CB C 28 32.382 32.055 0.327 2
1 324 . 1 1 A 28 28 LYS N N 28 116.088 118.451 -2.363 2
1 325 . 1 1 A 29 29 TYR H H 29 7.016 7.921 -0.905 2
1 326 . 1 1 A 29 29 TYR HA H 29 4.273 4.250 0.023 2
1 333 . 1 1 A 29 29 TYR C C 29 177.581 177.631 -0.050 2
1 334 . 1 1 A 29 29 TYR CA C 29 61.050 61.428 -0.378 2
1 335 . 1 1 A 29 29 TYR CB C 29 37.860 38.427 -0.567 2
1 340 . 1 1 A 29 29 TYR N N 29 119.155 121.677 -2.522 2
1 341 . 1 1 A 30 30 PHE H H 30 8.775 8.617 0.158 2
1 342 . 1 1 A 30 30 PHE HA H 30 4.619 4.155 0.464 2
1 349 . 1 1 A 30 30 PHE C C 30 178.612 177.869 0.743 2
1 350 . 1 1 A 30 30 PHE CA C 30 57.312 62.374 -5.062 2
1 351 . 1 1 A 30 30 PHE CB C 30 37.667 38.491 -0.824 2
1 356 . 1 1 A 30 30 PHE N N 30 118.969 118.848 0.121 2
1 357 . 1 1 A 31 31 LYS H H 31 8.977 8.946 0.031 2
1 358 . 1 1 A 31 31 LYS HA H 31 4.141 4.328 -0.187 2
1 363 . 1 1 A 31 31 LYS C C 31 178.781 179.057 -0.276 2
1 364 . 1 1 A 31 31 LYS CA C 31 59.878 59.656 0.222 2
1 365 . 1 1 A 31 31 LYS CB C 31 31.707 32.318 -0.611 2
1 367 . 1 1 A 31 31 LYS N N 31 121.474 120.615 0.859 2
1 368 . 1 1 A 32 32 LEU H H 32 7.215 7.833 -0.618 2
1 369 . 1 1 A 32 32 LEU HA H 32 4.179 4.046 0.133 2
1 376 . 1 1 A 32 32 LEU C C 32 180.639 179.356 1.283 2
1 377 . 1 1 A 32 32 LEU CA C 32 57.933 57.785 0.148 2
1 378 . 1 1 A 32 32 LEU CB C 32 41.283 41.537 -0.254 2
1 381 . 1 1 A 32 32 LEU N N 32 118.836 119.190 -0.354 2
1 382 . 1 1 A 33 33 ILE H H 33 7.397 7.599 -0.202 2
1 383 . 1 1 A 33 33 ILE HA H 33 3.896 3.864 0.032 2
1 388 . 1 1 A 33 33 ILE C C 33 178.546 177.760 0.786 2
1 389 . 1 1 A 33 33 ILE CA C 33 63.892 63.652 0.240 2
1 390 . 1 1 A 33 33 ILE CB C 33 37.582 37.751 -0.169 2
1 393 . 1 1 A 33 33 ILE N N 33 118.838 119.716 -0.878 2
1 394 . 1 1 A 34 34 ALA H H 34 8.593 8.575 0.018 2
1 395 . 1 1 A 34 34 ALA HA H 34 3.984 4.043 -0.059 2
1 399 . 1 1 A 34 34 ALA C C 34 179.571 180.084 -0.513 2
1 400 . 1 1 A 34 34 ALA CA C 34 55.141 55.624 -0.483 2
1 401 . 1 1 A 34 34 ALA CB C 34 18.671 18.649 0.022 2
1 402 . 1 1 A 34 34 ALA N N 34 121.471 124.051 -2.580 2
1 403 . 1 1 A 35 35 ASN H H 35 8.503 8.408 0.095 2
1 404 . 1 1 A 35 35 ASN HA H 35 4.707 4.697 0.011 2
1 409 . 1 1 A 35 35 ASN C C 35 177.434 177.243 0.191 2
1 410 . 1 1 A 35 35 ASN CA C 35 55.732 55.911 -0.179 2
1 411 . 1 1 A 35 35 ASN CB C 35 38.224 38.220 0.004 2
1 412 . 1 1 A 35 35 ASN N N 35 116.283 116.653 -0.370 2
1 414 . 1 1 A 36 36 ALA H H 36 7.610 7.474 0.136 2
1 415 . 1 1 A 36 36 ALA HA H 36 4.363 4.121 0.242 2
1 419 . 1 1 A 36 36 ALA C C 36 178.715 178.309 0.406 2
1 420 . 1 1 A 36 36 ALA CA C 36 54.004 53.981 0.023 2
1 421 . 1 1 A 36 36 ALA CB C 36 19.224 18.613 0.611 2
1 422 . 1 1 A 36 36 ALA N N 36 120.620 121.473 -0.853 2
1 423 . 1 1 A 37 37 LYS H H 37 7.673 7.911 -0.238 2
1 424 . 1 1 A 37 37 LYS HA H 37 4.436 4.369 0.067 2
1 431 . 1 1 A 37 37 LYS C C 37 175.876 176.350 -0.474 2
1 432 . 1 1 A 37 37 LYS CA C 37 56.284 56.757 -0.473 2
1 433 . 1 1 A 37 37 LYS CB C 37 34.026 33.699 0.327 2
1 437 . 1 1 A 37 37 LYS N N 37 116.344 114.945 1.399 2
1 438 . 1 1 A 38 38 THR H H 38 8.122 8.093 0.029 2
1 439 . 1 1 A 38 38 THR HA H 38 4.409 4.699 -0.290 2
1 444 . 1 1 A 38 38 THR C C 38 172.766 173.612 -0.846 2
1 445 . 1 1 A 38 38 THR CA C 38 61.468 61.279 0.189 2
1 446 . 1 1 A 38 38 THR CB C 38 69.124 71.633 -2.509 2
1 448 . 1 1 A 38 38 THR N N 38 113.585 110.693 2.892 2
1 449 . 1 1 A 39 39 VAL H H 39 8.254 8.366 -0.112 2
1 450 . 1 1 A 39 39 VAL HA H 39 4.399 4.311 0.088 2
1 455 . 1 1 A 39 39 VAL C C 39 176.183 174.637 1.546 2
1 456 . 1 1 A 39 39 VAL CA C 39 62.431 61.649 0.782 2
1 457 . 1 1 A 39 39 VAL CB C 39 32.795 31.757 1.038 2
1 459 . 1 1 A 39 39 VAL N N 39 120.756 120.238 0.518 2
1 460 . 1 1 A 40 40 GLU H H 40 8.732 7.816 0.917 2
1 461 . 1 1 A 40 40 GLU HA H 40 4.711 4.744 -0.033 2
1 464 . 1 1 A 40 40 GLU C C 40 175.571 175.285 0.286 2
1 465 . 1 1 A 40 40 GLU CA C 40 55.569 56.259 -0.690 2
1 466 . 1 1 A 40 40 GLU CB C 40 30.469 32.665 -2.196 2
1 468 . 1 1 A 40 40 GLU N N 40 124.791 122.154 2.637 2
1 469 . 1 1 A 41 41 GLY H H 41 8.145 8.472 -0.327 2
1 470 . 1 1 A 41 41 GLY HA2 H 41 4.236 4.156 0.080 2
1 471 . 1 1 A 41 41 GLY HA3 H 41 3.589 4.172 -0.583 2
1 472 . 1 1 A 41 41 GLY C C 41 172.517 172.074 0.443 2
1 473 . 1 1 A 41 41 GLY CA C 41 45.203 45.631 -0.428 2
1 474 . 1 1 A 41 41 GLY N N 41 107.758 111.758 -4.000 2
1 475 . 1 1 A 42 42 VAL H H 42 8.490 8.795 -0.305 2
1 476 . 1 1 A 42 42 VAL HA H 42 4.525 4.830 -0.305 2
1 481 . 1 1 A 42 42 VAL C C 42 176.739 175.577 1.162 2
1 482 . 1 1 A 42 42 VAL CA C 42 62.354 61.314 1.040 2
1 483 . 1 1 A 42 42 VAL CB C 42 33.355 32.897 0.458 2
1 485 . 1 1 A 42 42 VAL N N 42 121.959 118.340 3.619 2
1 486 . 1 1 A 43 43 TRP H H 43 9.465 9.037 0.427 2
1 487 . 1 1 A 43 43 TRP HA H 43 5.375 5.231 0.144 2
1 495 . 1 1 A 43 43 TRP C C 43 177.127 176.455 0.672 2
1 496 . 1 1 A 43 43 TRP CA C 43 58.056 57.651 0.405 2
1 497 . 1 1 A 43 43 TRP CB C 43 29.740 30.127 -0.387 2
1 502 . 1 1 A 43 43 TRP N N 43 130.804 128.960 1.844 2
1 504 . 1 1 A 44 44 THR H H 44 9.380 8.946 0.434 2
1 505 . 1 1 A 44 44 THR HA H 44 4.908 5.324 -0.416 2
1 510 . 1 1 A 44 44 THR C C 44 172.803 172.740 0.063 2
1 511 . 1 1 A 44 44 THR CA C 44 61.075 60.326 0.749 2
1 512 . 1 1 A 44 44 THR CB C 44 72.681 72.034 0.647 2
1 514 . 1 1 A 44 44 THR N N 44 115.117 114.537 0.580 2
1 515 . 1 1 A 45 45 TYR H H 45 8.773 8.972 -0.199 2
1 516 . 1 1 A 45 45 TYR HA H 45 5.143 5.682 -0.539 2
1 521 . 1 1 A 45 45 TYR C C 45 174.047 173.470 0.577 2
1 522 . 1 1 A 45 45 TYR CA C 45 57.154 57.003 0.151 2
1 523 . 1 1 A 45 45 TYR CB C 45 41.212 42.485 -1.273 2
1 526 . 1 1 A 45 45 TYR N N 45 121.946 123.651 -1.705 2
1 527 . 1 1 A 46 46 LYS H H 46 7.505 8.585 -1.080 2
1 528 . 1 1 A 46 46 LYS HA H 46 4.457 4.648 -0.191 2
1 533 . 1 1 A 46 46 LYS C C 46 175.444 174.572 0.872 2
1 534 . 1 1 A 46 46 LYS CA C 46 53.992 53.992 0.000 2
1 535 . 1 1 A 46 46 LYS CB C 46 33.875 35.246 -1.371 2
1 539 . 1 1 A 46 46 LYS N N 46 128.658 126.599 2.059 2
1 540 . 1 1 A 47 47 ASP H H 47 8.807 8.646 0.161 2
1 541 . 1 1 A 47 47 ASP HA H 47 4.135 4.581 -0.446 2
1 544 . 1 1 A 47 47 ASP C C 47 179.380 176.517 2.863 2
1 545 . 1 1 A 47 47 ASP CA C 47 57.464 54.151 3.313 2
1 546 . 1 1 A 47 47 ASP CB C 47 42.288 41.330 0.958 2
1 547 . 1 1 A 47 47 ASP N N 47 126.643 124.808 1.835 2
1 548 . 1 1 A 48 48 GLU H H 48 9.909 8.459 1.450 2
1 549 . 1 1 A 48 48 GLU HA H 48 4.172 4.237 -0.065 2
1 554 . 1 1 A 48 48 GLU C C 48 177.317 176.563 0.754 2
1 555 . 1 1 A 48 48 GLU CA C 48 59.979 57.906 2.073 2
1 556 . 1 1 A 48 48 GLU CB C 48 28.699 30.391 -1.692 2
1 558 . 1 1 A 48 48 GLU N N 48 118.400 120.665 -2.265 2
1 559 . 1 1 A 49 49 ILE H H 49 6.510 7.626 -1.116 2
1 560 . 1 1 A 49 49 ILE HA H 49 4.697 4.269 0.429 2
1 568 . 1 1 A 49 49 ILE C C 49 175.868 175.272 0.596 2
1 569 . 1 1 A 49 49 ILE CA C 49 60.318 60.287 0.031 2
1 570 . 1 1 A 49 49 ILE CB C 49 38.324 38.156 0.168 2
1 574 . 1 1 A 49 49 ILE N N 49 105.782 115.481 -9.699 2
1 575 . 1 1 A 50 50 LYS H H 50 7.991 7.770 0.221 2
1 576 . 1 1 A 50 50 LYS HA H 50 4.336 3.978 0.358 2
1 581 . 1 1 A 50 50 LYS C C 50 174.829 174.981 -0.152 2
1 582 . 1 1 A 50 50 LYS CA C 50 55.959 56.797 -0.838 2
1 583 . 1 1 A 50 50 LYS CB C 50 29.232 30.675 -1.443 2
1 585 . 1 1 A 50 50 LYS N N 50 124.329 118.184 6.145 2
1 586 . 1 1 A 51 51 THR H H 51 7.174 7.052 0.122 2
1 587 . 1 1 A 51 51 THR HA H 51 5.774 5.234 0.540 2
1 592 . 1 1 A 51 51 THR C C 51 173.893 172.432 1.461 2
1 593 . 1 1 A 51 51 THR CA C 51 62.217 60.240 1.977 2
1 594 . 1 1 A 51 51 THR CB C 51 73.248 71.865 1.383 2
1 596 . 1 1 A 51 51 THR N N 51 109.849 112.929 -3.080 2
1 597 . 1 1 A 52 52 PHE H H 52 10.338 9.565 0.773 2
1 598 . 1 1 A 52 52 PHE HA H 52 5.693 5.917 -0.224 2
1 605 . 1 1 A 52 52 PHE C C 52 174.361 175.022 -0.661 2
1 606 . 1 1 A 52 52 PHE CA C 52 57.260 56.309 0.951 2
1 607 . 1 1 A 52 52 PHE CB C 52 42.130 43.158 -1.028 2
1 612 . 1 1 A 52 52 PHE N N 52 130.662 123.634 7.028 2
1 613 . 1 1 A 53 53 THR H H 53 9.262 9.414 -0.152 2
1 614 . 1 1 A 53 53 THR HA H 53 5.288 4.904 0.384 2
1 619 . 1 1 A 53 53 THR C C 53 172.678 173.232 -0.554 2
1 620 . 1 1 A 53 53 THR CA C 53 61.511 61.162 0.349 2
1 621 . 1 1 A 53 53 THR CB C 53 70.861 72.270 -1.409 2
1 623 . 1 1 A 53 53 THR N N 53 118.205 114.712 3.493 2
1 624 . 1 1 A 54 54 VAL H H 54 8.628 8.887 -0.259 2
1 625 . 1 1 A 54 54 VAL HA H 54 4.599 5.003 -0.404 2
1 633 . 1 1 A 54 54 VAL C C 54 174.090 174.216 -0.126 2
1 634 . 1 1 A 54 54 VAL CA C 54 59.646 60.123 -0.477 2
1 635 . 1 1 A 54 54 VAL CB C 54 32.737 33.684 -0.947 2
1 637 . 1 1 A 54 54 VAL N N 54 125.183 123.001 2.182 2
1 638 . 1 1 A 55 55 THR H H 55 8.434 8.612 -0.178 2
1 639 . 1 1 A 55 55 THR HA H 55 4.951 4.920 0.031 2
1 644 . 1 1 A 55 55 THR C C 55 173.695 173.105 0.590 2
1 645 . 1 1 A 55 55 THR CA C 55 61.219 61.486 -0.267 2
1 646 . 1 1 A 55 55 THR CB C 55 71.454 70.068 1.386 2
1 648 . 1 1 A 55 55 THR N N 55 122.255 123.659 -1.404 2
stop_
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